| 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 | 64.7 | Low | 84.6 | Confident | 219 Ų | 219 | 99 Ų | 99 | 100% | 1.079 | 54% | 0.535 | S | S | * | . | 0 | 138.9 | 0 | -74.2 | -144.3 | -76 | 0 | 0 | 109.1 | |||||
| 2 | N | 73.2 | Confident | 85.2 | Confident | 73 Ų | 73 | 97.2 Ų | 97.2 | 39% | 0.39 | 54% | 0.535 | S | S | . | . | trans | -72.9 | 127.8 | 173 | -168.7 | -36.4 | 0 | 0 | 0 | 108.7 | D4 I7 K8 | N2-D4 VanDerWaalsContact C-N 3.26Å; N2-D4 PolarHBondContact O-N 3Å; N2-D4 WeakPolarHBondContact OD1-CB 3.03Å; N2-D4 PolarHBondContact OD1-N 3.03Å; N2-I7 VanDerWaalsContact ND2-CD1 3.28Å; N2-I7 WeakPolarHBondContact ND2-CD1 3.15Å; N2-K8 WeakPolarHBondContact O-CE 3.44Å | ||
| 3 | P | 80.4 | Confident | 85.6 | Confident | 116 Ų | 116 | 101.8 Ų | 101.8 | 75% | 0.753 | 55% | 0.546 | S | S | * | . | trans | -70.3 | -21.2 | -179.9 | 27.9 | -34.9 | 0 | 0 | 0 | 113.4 | T5 | P3-T5 PolarHBondContact O-N 2.96Š| ||
| 4 | D | 85.2 | Confident | 86.4 | Confident | 75 Ų | 75 | 106.5 Ų | 106.5 | 40% | 0.401 | 55% | 0.553 | S | S | . | * | trans | -73 | 115 | -177 | -172.3 | -17.6 | 0 | 0 | 0 | 111.7 | N2 S6 I7 K8 | N2-D4 VanDerWaalsContact C-N 3.26Å; N2-D4 PolarHBondContact O-N 3Å; N2-D4 WeakPolarHBondContact OD1-CB 3.03Å; N2-D4 PolarHBondContact OD1-N 3.03Å; D4-S6 VanDerWaalsContact C-N 3.27Å; D4-S6 PolarHBondContact O-N 2.72Å; D4-S6 WeakPolarHBondContact OD1-CA 3.31Å; D4-S6 VanDerWaalsContact OD1-CB 3.27Å; D4-S6 WeakPolarHBondContact OD1-CB 3.45Å; D4-S6 PolarHBondContact OD1-N 3.08Å; D4-I7 HydrophobicContact CB-CB 4.18Å; D4-I7 HydrophobicContact CB-CD1 3.92Å; D4-I7 HydrophobicContact CB-CG1 4.01Å; D4-I7 PolarHBondContact O-N 2.82Å; D4-K8 PolarHBondContact O-N 2.66Å; D4-K8 VanDerWaalsContact O-N 3.11Å | ||
| 5 | T | 88.8 | Confident | 87 | Confident | 88 Ų | 88 | 103.6 Ų | 103.6 | 54% | 0.54 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.2 | -37 | 176.8 | -49.6 | 0 | 0 | 0 | 0 | 112 | P3 I7 K8 E9 | P3-T5 PolarHBondContact O-N 2.96Å; T5-I7 VanDerWaalsContact C-N 3.35Å; T5-I7 PolarHBondContact O-N 3.32Å; T5-K8 WeakPolarHBondContact O-CB 3.49Å; T5-K8 PolarHBondContact O-N 3.35Å; T5-E9 WeakPolarHBondContact O-CG 3.42Å; T5-E9 PolarHBondContact O-N 3.47Å |
| 6 | S | 88 | Confident | 87.1 | Confident | 55 Ų | 55 | 99.9 Ų | 99.9 | 39% | 0.385 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.3 | -41.2 | 178.9 | -171.1 | 0 | 0 | 0 | 0 | 111.4 | D4 E9 Q10 | D4-S6 VanDerWaalsContact C-N 3.27Å; D4-S6 PolarHBondContact O-N 2.72Å; D4-S6 WeakPolarHBondContact OD1-CA 3.31Å; D4-S6 VanDerWaalsContact OD1-CB 3.27Å; D4-S6 WeakPolarHBondContact OD1-CB 3.45Å; D4-S6 PolarHBondContact OD1-N 3.08Å; S6-E9 PolarHBondContact O-N 3.15Å; S6-Q10 WeakPolarHBondContact O-CB 3.46Å; S6-Q10 VanDerWaalsContact O-CG 3.27Å; S6-Q10 WeakPolarHBondContact O-CG 3.38Å; S6-Q10 PolarHBondContact O-N 3.35Å; S6-Q10 PolarHBondContact OG-NE2 3.2Å |
| 7 | I | 88.8 | Confident | 87.4 | Confident | 70 Ų | 70 | 100 Ų | 100 | 36% | 0.359 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.4 | -36.6 | 177.1 | -61.8 | 174.7 | 0 | 0 | 0 | 110.7 | N2 D4 T5 Q10 A11 | N2-I7 VanDerWaalsContact ND2-CD1 3.28Å; N2-I7 WeakPolarHBondContact ND2-CD1 3.15Å; D4-I7 HydrophobicContact CB-CB 4.18Å; D4-I7 HydrophobicContact CB-CD1 3.92Å; D4-I7 HydrophobicContact CB-CG1 4.01Å; D4-I7 PolarHBondContact O-N 2.82Å; T5-I7 VanDerWaalsContact C-N 3.35Å; T5-I7 PolarHBondContact O-N 3.32Å; I7-Q10 PolarHBondContact O-N 3.33Å; I7-A11 VanDerWaalsContact O-CB 3.29Å; I7-A11 WeakPolarHBondContact O-CB 3.39Å; I7-A11 PolarHBondContact O-N 2.87Å |
| 8 | K | 88.3 | Confident | 87.9 | Confident | 97 Ų | 97 | 95.8 Ų | 95.8 | 42% | 0.422 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.6 | -42.6 | 173.9 | -67.9 | -179.3 | -169 | 175.7 | 0 | 112.1 | N2 D4 T5 A11 S12 | N2-K8 WeakPolarHBondContact O-CE 3.44Å; D4-K8 PolarHBondContact O-N 2.66Å; D4-K8 VanDerWaalsContact O-N 3.11Å; T5-K8 WeakPolarHBondContact O-CB 3.49Å; T5-K8 PolarHBondContact O-N 3.35Å; K8-A11 PolarHBondContact O-N 3.42Å; K8-S12 VanDerWaalsContact O-CB 3.28Å; K8-S12 WeakPolarHBondContact O-CB 3.45Å; K8-S12 PolarHBondContact O-N 3.4Å |
| 9 | E | 89.5 | Confident | 88.1 | Confident | 125 Ų | 125 | 91.7 Ų | 91.7 | 58% | 0.584 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -64.2 | -43.9 | 176.2 | -74.1 | 174.2 | -178.5 | 0 | 0 | 111.6 | T5 S6 S12 K13 | T5-E9 WeakPolarHBondContact O-CG 3.42Å; T5-E9 PolarHBondContact O-N 3.47Å; S6-E9 PolarHBondContact O-N 3.15Å; E9-S12 PolarHBondContact O-N 3Å; E9-K13 WeakPolarHBondContact O-CB 3.14Å; E9-K13 PolarHBondContact O-N 3.3Å |
| 10 | Q | 91.7 | Very high | 88.2 | Confident | 124 Ų | 124 | 92.3 Ų | 92.3 | 58% | 0.579 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -62 | -44.6 | 175.2 | -71.9 | 173.9 | 31.5 | 0 | 0 | 111.8 | S6 I7 K13 W14 | S6-Q10 WeakPolarHBondContact O-CB 3.46Å; S6-Q10 VanDerWaalsContact O-CG 3.27Å; S6-Q10 WeakPolarHBondContact O-CG 3.38Å; S6-Q10 PolarHBondContact O-N 3.35Å; S6-Q10 PolarHBondContact OG-NE2 3.2Å; I7-Q10 PolarHBondContact O-N 3.33Å; Q10-K13 PolarHBondContact O-N 3.5Å; Q10-W14 PolarHBondContact O-N 3.08Å |
| 11 | A | 92.2 | Very high | 88.4 | Confident | 47 Ų | 47 | 89.2 Ų | 89.2 | 39% | 0.388 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I7 K8 W14 L15 | I7-A11 VanDerWaalsContact O-CB 3.29Å; I7-A11 WeakPolarHBondContact O-CB 3.39Å; I7-A11 PolarHBondContact O-N 2.87Å; K8-A11 PolarHBondContact O-N 3.42Å; A11-W14 PolarHBondContact O-N 3.05Å; A11-L15 WeakPolarHBondContact O-CB 3.3Å; A11-L15 VanDerWaalsContact O-CG 3.27Å; A11-L15 WeakPolarHBondContact O-CG 3.5Å; A11-L15 PolarHBondContact O-N 3.09Å |
| 12 | S | 91.2 | Very high | 89.8 | Confident | 77 Ų | 77 | 83.1 Ų | 83.1 | 54% | 0.538 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 176.3 | -174.9 | 0 | 0 | 0 | 0 | 111.7 | K8 E9 W14 L15 C16 | K8-S12 VanDerWaalsContact O-CB 3.28Å; K8-S12 WeakPolarHBondContact O-CB 3.45Å; K8-S12 PolarHBondContact O-N 3.4Å; E9-S12 PolarHBondContact O-N 3Å; S12-W14 PolarHBondContact O-N 3.11Å; S12-L15 PolarHBondContact O-N 2.72Å; S12-C16 WeakPolarHBondContact O-CB 3.08Å; S12-C16 PolarHBondContact O-N 3.1Å |
| 13 | K | 91.6 | Very high | 90.7 | Very high | 157 Ų | 157 | 87.3 Ų | 87.3 | 68% | 0.683 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -60.4 | -44.9 | 174.6 | -171.3 | 177.1 | -178.2 | 178.5 | 0 | 111.3 | E9 Q10 C16 E17 | E9-K13 WeakPolarHBondContact O-CB 3.14Å; E9-K13 PolarHBondContact O-N 3.3Å; Q10-K13 PolarHBondContact O-N 3.5Å; K13-C16 PolarHBondContact O-N 3.32Å; K13-E17 WeakPolarHBondContact O-CG 3.4Å; K13-E17 PolarHBondContact O-N 3.47Å |
| 14 | W | 95.8 | Very high | 91.5 | Very high | 168 Ų | 168 | 81.8 Ų | 81.8 | 64% | 0.636 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -64.2 | -44.3 | 176.6 | -174.6 | 88.6 | 0 | 0 | 0 | 112.3 | Q10 A11 S12 C16 E17 F18 | Q10-W14 PolarHBondContact O-N 3.08Å; A11-W14 PolarHBondContact O-N 3.05Å; S12-W14 PolarHBondContact O-N 3.11Å; W14-C16 VanDerWaalsContact C-N 3.3Å; W14-C16 PolarHBondContact O-N 3.16Å; W14-E17 PolarHBondContact O-N 2.95Å; W14-F18 HydrophobicContact CE3-CB 4.39Å; W14-F18 HydrophobicContact CH2-CB 4.41Å; W14-F18 HydrophobicContact CH2-CD2 4.22Å; W14-F18 HydrophobicContact CH2-CG 4.45Å; W14-F18 HydrophobicContact CZ3-CB 4.2Å; W14-F18 HydrophobicContact CZ3-CG 4.4Å; W14-F18 WeakPolarHBondContact O-CB 3.33Å; W14-F18 PolarHBondContact O-N 2.88Å |
| 15 | L | 95.1 | Very high | 92 | Very high | 63 Ų | 63 | 79.6 Ų | 79.6 | 33% | 0.33 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.8 | -35.6 | 176.6 | -71 | 171.4 | 0 | 0 | 0 | 111.7 | A11 S12 F18 Q19 F43 | A11-L15 WeakPolarHBondContact O-CB 3.3Å; A11-L15 VanDerWaalsContact O-CG 3.27Å; A11-L15 WeakPolarHBondContact O-CG 3.5Å; A11-L15 PolarHBondContact O-N 3.09Å; S12-L15 PolarHBondContact O-N 2.72Å; L15-F18 WeakPolarHBondContact O-CB 3.43Å; L15-F18 PolarHBondContact O-N 3.29Å; L15-Q19 VanDerWaalsContact O-CG 3.3Å; L15-Q19 WeakPolarHBondContact O-CG 3.41Å; L15-Q19 PolarHBondContact O-N 2.65Å; L15-F43 HydrophobicContact CB-CE2 4.08Å; L15-F43 HydrophobicContact CB-CZ 4.25Å; L15-F43 HydrophobicContact CD1-CE2 4.34Å; L15-F43 HydrophobicContact CD2-CE1 4.06Å; L15-F43 HydrophobicContact CD2-CE2 3.91Å; L15-F43 HydrophobicContact CD2-CZ 3.55Å; L15-F43 HydrophobicContact CG-CE2 4.33Å; L15-F43 HydrophobicContact CG-CZ 4.38Å |
| 16 | C | 90.1 | Very high | 92.2 | Very high | 45 Ų | 45 | 81.5 Ų | 81.5 | 30% | 0.304 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.5 | -43.3 | 174.8 | -170.1 | 0 | 0 | 0 | 0 | 111.8 | S12 K13 W14 Q19 K20 | S12-C16 WeakPolarHBondContact O-CB 3.08Å; S12-C16 PolarHBondContact O-N 3.1Å; K13-C16 PolarHBondContact O-N 3.32Å; W14-C16 VanDerWaalsContact C-N 3.3Å; W14-C16 PolarHBondContact O-N 3.16Å; C16-Q19 PolarHBondContact O-N 3.4Å; C16-K20 PolarHBondContact O-N 2.77Å |
| 17 | E | 92.2 | Very high | 92.6 | Very high | 101 Ų | 101 | 82 Ų | 82 | 47% | 0.472 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -66.7 | -38.4 | 173.3 | -67.4 | -53.6 | 124 | 0 | 0 | 111.9 | K13 W14 Q19 K20 S21 | K13-E17 WeakPolarHBondContact O-CG 3.4Å; K13-E17 PolarHBondContact O-N 3.47Å; W14-E17 PolarHBondContact O-N 2.95Å; E17-Q19 PolarHBondContact O-N 2.96Å; E17-K20 PolarHBondContact O-N 3.06Å; E17-K20 VanDerWaalsContact O-N 3.16Å; E17-K20 IonicContact OE1-NZ 2.91Å; E17-K20 PolarHBondContact OE1-NZ 3.06Å; E17-K20 IonicContact OE2-NZ 3Å; E17-S21 PolarHBondContact O-N 3.44Å |
| 18 | F | 94.9 | Very high | 93 | Very high | 25 Ų | 25 | 78.7 Ų | 78.7 | 11% | 0.11 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -59.2 | -44.7 | 172.9 | 169.1 | -93.2 | 0 | 0 | 0 | 111.7 | W14 L15 K20 S21 A24 I27 F43 | W14-F18 HydrophobicContact CE3-CB 4.39Å; W14-F18 HydrophobicContact CH2-CB 4.41Å; W14-F18 HydrophobicContact CH2-CD2 4.22Å; W14-F18 HydrophobicContact CH2-CG 4.45Å; W14-F18 HydrophobicContact CZ3-CB 4.2Å; W14-F18 HydrophobicContact CZ3-CG 4.4Å; W14-F18 WeakPolarHBondContact O-CB 3.33Å; W14-F18 PolarHBondContact O-N 2.88Å; L15-F18 WeakPolarHBondContact O-CB 3.43Å; L15-F18 PolarHBondContact O-N 3.29Å; F18-K20 PolarHBondContact O-N 3.07Å; F18-S21 VanDerWaalsContact O-CB 3.29Å; F18-S21 WeakPolarHBondContact O-CB 3.45Å; F18-S21 PolarHBondContact O-N 3.28Å; F18-S21 PolarHBondContact O-OG 2.87Å; F18-A24 HydrophobicContact CE1-CB 4.07Å; F18-A24 HydrophobicContact CZ-CB 4.23Å; F18-I27 HydrophobicContact CE2-CB 4.41Å; F18-I27 HydrophobicContact CE2-CD1 3.73Å; F18-I27 HydrophobicContact CE2-CG2 4.39Å; F18-I27 HydrophobicContact CZ-CB 3.88Å; F18-I27 HydrophobicContact CZ-CD1 4.1Å; F18-I27 HydrophobicContact CZ-CG2 3.77Å; F18-F43 AromaticContact CD1-CE1 4Å; F18-F43 HydrophobicContact CD1-CE1 4Å; F18-F43 AromaticContact CD1-CZ 3.75Å; F18-F43 HydrophobicContact CD1-CZ 3.75Å; F18-F43 AromaticContact CE1-CE1 3.74Å; F18-F43 HydrophobicContact CE1-CE1 3.74Å; F18-F43 AromaticContact CE1-CZ 3.96Å; F18-F43 HydrophobicContact CE1-CZ 3.96Å |
| 19 | Q | 92.8 | Very high | 93.3 | Very high | 18 Ų | 18 | 75.9 Ų | 75.9 | 8% | 0.084 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62 | -23.3 | 177.3 | -76.4 | -175.9 | -23.9 | 0 | 0 | 113.5 | L15 C16 E17 F43 T47 K51 | L15-Q19 VanDerWaalsContact O-CG 3.3Å; L15-Q19 WeakPolarHBondContact O-CG 3.41Å; L15-Q19 PolarHBondContact O-N 2.65Å; C16-Q19 PolarHBondContact O-N 3.4Å; E17-Q19 PolarHBondContact O-N 2.96Å; Q19-F43 HydrophobicContact CG-CE2 4.23Å; Q19-F43 HydrophobicContact CG-CZ 4.17Å; Q19-T47 HydrophobicContact CG-CG2 3.86Å; Q19-T47 PolarHBondContact NE2-OG1 3.07Å; Q19-K51 WeakPolarHBondContact O-CD 3.49Å |
| 20 | K | 89 | Confident | 93.6 | Very high | 102 Ų | 102 | 74.1 Ų | 74.1 | 44% | 0.443 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -82.6 | -21.5 | 172.9 | -62.6 | 170.4 | -170.5 | 169.3 | 0 | 112.2 | C16 E17 F18 | C16-K20 PolarHBondContact O-N 2.77Å; E17-K20 PolarHBondContact O-N 3.06Å; E17-K20 VanDerWaalsContact O-N 3.16Å; E17-K20 IonicContact OE1-NZ 2.91Å; E17-K20 PolarHBondContact OE1-NZ 3.06Å; E17-K20 IonicContact OE2-NZ 3Å; F18-K20 PolarHBondContact O-N 3.07Å |
| 21 | S | 93.7 | Very high | 93.7 | Very high | 29 Ų | 29 | 70.1 Ų | 70.1 | 20% | 0.203 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -71.2 | 158 | -177 | 81.3 | 0 | 0 | 0 | 0 | 112.9 | E17 F18 Y23 A24 K51 | E17-S21 PolarHBondContact O-N 3.44Å; F18-S21 VanDerWaalsContact O-CB 3.29Å; F18-S21 WeakPolarHBondContact O-CB 3.45Å; F18-S21 PolarHBondContact O-N 3.28Å; F18-S21 PolarHBondContact O-OG 2.87Å; S21-Y23 VanDerWaalsContact C-N 3.26Å; S21-Y23 PolarHBondContact O-N 3.4Å; S21-Y23 PolarHBondContact OG-N 3.11Å; S21-A24 WeakPolarHBondContact O-CB 3.34Å; S21-A24 PolarHBondContact O-N 3.34Å; S21-K51 PolarHBondContact O-NZ 3.4Å |
| 22 | V | 92.8 | Very high | 93.9 | Very high | 90 Ų | 90 | 68.5 Ų | 68.5 | 55% | 0.545 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -24.2 | 173.7 | -64.6 | 0 | 0 | 0 | 0 | 112.8 | A24 | V22-A24 PolarHBondContact O-N 3.17Š|
| 23 | Y | 93.9 | Very high | 93.9 | Very high | 161 Ų | 161 | 70 Ų | 70 | 63% | 0.631 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -21.7 | -179.2 | -53.5 | -71 | 0 | 0 | 0 | 113.2 | S21 W25 Q26 I27 | S21-Y23 VanDerWaalsContact C-N 3.26Å; S21-Y23 PolarHBondContact O-N 3.4Å; S21-Y23 PolarHBondContact OG-N 3.11Å; Y23-W25 PolarHBondContact O-N 3.12Å; Y23-Q26 PolarHBondContact O-N 3.46Å; Y23-I27 PolarHBondContact O-N 3.36Å |
| 24 | A | 95.9 | Very high | 94 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -55.7 | -37 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | F18 S21 V22 S28 T47 K51 | F18-A24 HydrophobicContact CE1-CB 4.07Å; F18-A24 HydrophobicContact CZ-CB 4.23Å; S21-A24 WeakPolarHBondContact O-CB 3.34Å; S21-A24 PolarHBondContact O-N 3.34Å; V22-A24 PolarHBondContact O-N 3.17Å; A24-S28 WeakPolarHBondContact O-CB 3.35Å; A24-S28 PolarHBondContact O-N 3.09Å; A24-S28 PolarHBondContact O-OG 3.36Å; A24-T47 HydrophobicContact CB-CG2 3.89Å; A24-K51 HydrophobicContact CB-CD 3.92Å; A24-K51 HydrophobicContact CB-CG 4.1Å |
| 25 | W | 94.9 | Very high | 93.7 | Very high | 29 Ų | 29 | 64.4 Ų | 64.4 | 11% | 0.11 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56 | -56.3 | 179.8 | -68.6 | 116.1 | 0 | 0 | 0 | 112.8 | Y23 D29 K51 I52 L59 L67 | Y23-W25 PolarHBondContact O-N 3.12Å; W25-D29 PolarHBondContact O-N 3.23Å; W25-K51 HydrophobicContact CD2-CB 3.94Å; W25-K51 HydrophobicContact CD2-CG 4.3Å; W25-K51 HydrophobicContact CE3-CB 3.78Å; W25-K51 HydrophobicContact CE3-CG 4.44Å; W25-K51 HydrophobicContact CH2-CB 3.41Å; W25-K51 VanDerWaalsContact CH2-CB 3.41Å; W25-K51 WeakPolarHBondContact CH2-O 3.46Å; W25-K51 HydrophobicContact CZ2-CB 3.55Å; W25-K51 HydrophobicContact CZ2-CG 4.49Å; W25-K51 HydrophobicContact CZ3-CB 3.52Å; W25-I52 HydrophobicContact CH2-CG1 3.92Å; W25-I52 HydrophobicContact CZ3-CG1 3.85Å; W25-L59 HydrophobicContact CD2-CD1 3.95Å; W25-L59 HydrophobicContact CD2-CD2 4.12Å; W25-L59 HydrophobicContact CD2-CG 4.18Å; W25-L59 HydrophobicContact CE3-CD1 3.98Å; W25-L59 HydrophobicContact CG-CD2 4.09Å; W25-L59 HydrophobicContact CH2-CD1 3.58Å; W25-L59 HydrophobicContact CH2-CG 4.28Å; W25-L59 HydrophobicContact CZ2-CD1 3.55Å; W25-L59 HydrophobicContact CZ2-CG 3.73Å; W25-L59 HydrophobicContact CZ3-CD1 3.81Å; W25-L67 HydrophobicContact CE3-CD2 4.48Å; W25-L67 HydrophobicContact CH2-CD2 4.39Å; W25-L67 HydrophobicContact CZ3-CD2 3.82Å |
| 26 | Q | 94.9 | Very high | 93.4 | Very high | 129 Ų | 129 | 70.5 Ų | 70.5 | 60% | 0.603 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -71.4 | -42.7 | -175.3 | -175.9 | -177.6 | 8.6 | 0 | 0 | 112 | Y23 D29 Q30 | Y23-Q26 PolarHBondContact O-N 3.46Å; Q26-D29 PolarHBondContact O-N 3.33Å; Q26-Q30 WeakPolarHBondContact O-CG 3.42Å; Q26-Q30 PolarHBondContact O-N 3.47Å; Q26-Q30 VanDerWaalsContact O-N 3.07Å |
| 27 | I | 96 | Very high | 93.4 | Very high | 66 Ų | 66 | 71.8 Ų | 71.8 | 34% | 0.338 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -70.1 | -41.5 | -175.6 | -70.6 | 167 | 0 | 0 | 0 | 110.5 | F18 Y23 D29 Q30 L31 | F18-I27 HydrophobicContact CE2-CB 4.41Å; F18-I27 HydrophobicContact CE2-CD1 3.73Å; F18-I27 HydrophobicContact CE2-CG2 4.39Å; F18-I27 HydrophobicContact CZ-CB 3.88Å; F18-I27 HydrophobicContact CZ-CD1 4.1Å; F18-I27 HydrophobicContact CZ-CG2 3.77Å; Y23-I27 PolarHBondContact O-N 3.36Å; I27-D29 VanDerWaalsContact C-N 3.31Å; I27-D29 PolarHBondContact O-N 3.04Å; I27-Q30 PolarHBondContact O-N 3.31Å; I27-L31 HydrophobicContact CG2-CD1 4.34Å; I27-L31 HydrophobicContact CG2-CG 4.38Å; I27-L31 WeakPolarHBondContact O-CG 3.29Å; I27-L31 PolarHBondContact O-N 2.98Å |
| 28 | S | 96 | Very high | 93.3 | Very high | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65 | -36.4 | 178.5 | -64.9 | 0 | 0 | 0 | 0 | 112.4 | A24 L31 L32 T47 | A24-S28 WeakPolarHBondContact O-CB 3.35Å; A24-S28 PolarHBondContact O-N 3.09Å; A24-S28 PolarHBondContact O-OG 3.36Å; S28-L31 PolarHBondContact O-N 3.23Å; S28-L32 WeakPolarHBondContact O-CG 3.26Å; S28-L32 PolarHBondContact O-N 3.43Å; S28-T47 VanDerWaalsContact OG-CB 3.28Å; S28-T47 WeakPolarHBondContact OG-CB 3.34Å; S28-T47 WeakPolarHBondContact OG-CG2 3.4Å |
| 29 | D | 95.4 | Very high | 93.2 | Very high | 38 Ų | 38 | 76.2 Ų | 76.2 | 20% | 0.203 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 173.3 | -172.6 | 63.9 | 0 | 0 | 0 | 112 | W25 Q26 I27 L31 L32 Y33 I48 S70 H74 | W25-D29 PolarHBondContact O-N 3.23Å; Q26-D29 PolarHBondContact O-N 3.33Å; I27-D29 VanDerWaalsContact C-N 3.31Å; I27-D29 PolarHBondContact O-N 3.04Å; D29-L31 PolarHBondContact O-N 3.28Å; D29-L32 PolarHBondContact O-N 3.47Å; D29-Y33 WeakPolarHBondContact O-CD2 3.32Å; D29-Y33 PolarHBondContact O-N 2.96Å; D29-Y33 WeakPolarHBondContact OD2-CE2 3.33Å; D29-I48 HydrophobicContact CB-CD1 4.23Å; D29-S70 PolarHBondContact OD1-OG 2.88Å; D29-H74 IonicContact OD1-CD2 3.25Å; D29-H74 IonicContact OD1-NE2 3Å; D29-H74 PolarHBondContact OD1-NE2 2.7Å |
| 30 | Q | 95.1 | Very high | 93.3 | Very high | 88 Ų | 88 | 76.4 Ų | 76.4 | 41% | 0.411 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 174.6 | -72.8 | 173.5 | 7.7 | 0 | 0 | 112.7 | Q26 I27 L32 Y33 M34 | Q26-Q30 WeakPolarHBondContact O-CG 3.42Å; Q26-Q30 PolarHBondContact O-N 3.47Å; Q26-Q30 VanDerWaalsContact O-N 3.07Å; I27-Q30 PolarHBondContact O-N 3.31Å; Q30-L32 PolarHBondContact O-N 2.67Å; Q30-Y33 PolarHBondContact O-N 2.99Å; Q30-M34 WeakPolarHBondContact O-CB 3.49Å; Q30-M34 WeakPolarHBondContact O-CG 3.4Å; Q30-M34 PolarHBondContact O-N 2.86Å |
| 31 | L | 95.1 | Very high | 93.5 | Very high | 39 Ų | 39 | 71.7 Ų | 71.7 | 20% | 0.204 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.3 | -38.7 | 177.9 | -73.1 | 176.5 | 0 | 0 | 0 | 111.7 | I27 S28 D29 N35 F43 | I27-L31 HydrophobicContact CG2-CD1 4.34Å; I27-L31 HydrophobicContact CG2-CG 4.38Å; I27-L31 WeakPolarHBondContact O-CG 3.29Å; I27-L31 PolarHBondContact O-N 2.98Å; S28-L31 PolarHBondContact O-N 3.23Å; D29-L31 PolarHBondContact O-N 3.28Å; L31-N35 PolarHBondContact O-N 3.35Å; L31-F43 HydrophobicContact CD1-CD1 4Å |
| 32 | L | 94.7 | Very high | 93.6 | Very high | 14 Ų | 14 | 74.2 Ų | 74.2 | 7% | 0.073 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.4 | -45.1 | 177.3 | -66.7 | 171.1 | 0 | 0 | 0 | 112.1 | S28 D29 Q30 M34 N35 C41 A45 I48 H74 L90 | S28-L32 WeakPolarHBondContact O-CG 3.26Å; S28-L32 PolarHBondContact O-N 3.43Å; D29-L32 PolarHBondContact O-N 3.47Å; Q30-L32 PolarHBondContact O-N 2.67Å; L32-M34 VanDerWaalsContact C-N 3.35Å; L32-M34 PolarHBondContact O-N 3.23Å; L32-N35 PolarHBondContact O-N 3Å; L32-C41 HydrophobicContact CD2-CB 4.5Å; L32-C41 WeakPolarHBondContact CD2-O 3.24Å; L32-A45 HydrophobicContact CD2-CB 4.03Å; L32-I48 HydrophobicContact CD1-CD1 3.57Å; L32-H74 VanDerWaalsContact CB-CE1 3.4Å; L32-H74 WeakPolarHBondContact CB-CE1 3.39Å; L32-L90 HydrophobicContact CD1-CD2 3.68Å; L32-L90 HydrophobicContact CD2-CD2 4.24Å |
| 33 | Y | 93.2 | Very high | 93.8 | Very high | 109 Ų | 109 | 71.7 Ų | 71.7 | 43% | 0.427 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.2 | -37.2 | 175.1 | -82.3 | -60.9 | 0 | 0 | 0 | 113.4 | D29 Q30 N35 S70 H74 | D29-Y33 WeakPolarHBondContact O-CD2 3.32Å; D29-Y33 PolarHBondContact O-N 2.96Å; D29-Y33 WeakPolarHBondContact OD2-CE2 3.33Å; Q30-Y33 PolarHBondContact O-N 2.99Å; Y33-N35 PolarHBondContact O-N 3.14Å; Y33-S70 PolarHBondContact OH-OG 3.24Å; Y33-H74 AromaticContact CD1-CE1 3.81Å; Y33-H74 AromaticContact CD2-CE1 3.56Å; Y33-H74 AromaticContact CD2-NE2 3.95Å; Y33-H74 AromaticContact CE1-CE1 3.8Å; Y33-H74 AromaticContact CE2-CE1 3.57Å; Y33-H74 AromaticContact CE2-NE2 3.66Å; Y33-H74 AromaticContact CG-CE1 3.68Å; Y33-H74 AromaticContact CZ-CE1 3.69Å; Y33-H74 AromaticContact CZ-NE2 3.96Å |
| 34 | M | 92.5 | Very high | 93.9 | Very high | 86 Ų | 86 | 64 Ų | 64 | 42% | 0.424 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -68 | -27.6 | 179.6 | -71.3 | 170.4 | 76.7 | 0 | 0 | 112.4 | Q30 L32 R36 | Q30-M34 WeakPolarHBondContact O-CB 3.49Å; Q30-M34 WeakPolarHBondContact O-CG 3.4Å; Q30-M34 PolarHBondContact O-N 2.86Å; L32-M34 VanDerWaalsContact C-N 3.35Å; L32-M34 PolarHBondContact O-N 3.23Å; M34-R36 VanDerWaalsContact C-N 3.26Å; M34-R36 HydrophobicContact CB-CG 4.24Å; M34-R36 PolarHBondContact O-N 3.3Å; M34-R36 VanDerWaalsContact O-N 3.09Å |
| 35 | N | 88.8 | Confident | 93.9 | Very high | 120 Ų | 120 | 64 Ų | 64 | 64% | 0.642 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 40.2 | 48.2 | 177.4 | -161.8 | 15.4 | 0 | 0 | 0 | 114.6 | L31 L32 Y33 C41 | L31-N35 PolarHBondContact O-N 3.35Å; L32-N35 PolarHBondContact O-N 3Å; Y33-N35 PolarHBondContact O-N 3.14Å; N35-C41 VanDerWaalsContact CA-SG 3.55Å; N35-C41 PolarHBondContact OD1-SG 2.94Å |
| 36 | R | 89.1 | Confident | 94 | Very high | 191 Ų | 191 | 65.9 Ų | 65.9 | 72% | 0.721 | 31% | 0.313 | S | S | * | . | trans | -76.9 | -44 | -170.5 | -78.5 | -176.2 | 171 | 173.8 | 4.2 | 113.5 | M34 | M34-R36 VanDerWaalsContact C-N 3.26Å; M34-R36 HydrophobicContact CB-CG 4.24Å; M34-R36 PolarHBondContact O-N 3.3Å; M34-R36 VanDerWaalsContact O-N 3.09Å | ||
| 37 | D | 90.5 | Very high | 94.1 | Very high | 72 Ų | 72 | 59.8 Ų | 59.8 | 39% | 0.385 | 28% | 0.284 | S | S | . | . | trans | -157.9 | 162.1 | -175.9 | 70.1 | 92 | 0 | 0 | 0 | 111.1 | N39 S40 C41 | D37-N39 VanDerWaalsContact C-N 3.3Å; D37-N39 PolarHBondContact O-N 3.32Å; D37-N39 WeakPolarHBondContact OD1-CA 3.46Å; D37-N39 WeakPolarHBondContact OD1-CB 3.32Å; D37-N39 PolarHBondContact OD1-N 2.83Å; D37-S40 PolarHBondContact N-OG 3.29Å; D37-S40 PolarHBondContact O-N 3.32Å; D37-S40 PolarHBondContact O-OG 3.07Å; D37-S40 VanDerWaalsContact O-OG 3.12Å; D37-S40 PolarHBondContact OD1-N 3.48Å; D37-S40 VanDerWaalsContact OD2-CB 3.32Å; D37-S40 WeakPolarHBondContact OD2-CB 3.45Å; D37-S40 PolarHBondContact OD2-OG 3.36Å; D37-C41 PolarHBondContact O-N 3.28Å; D37-C41 VanDerWaalsContact O-N 3.13Å; D37-C41 PolarHBondContact O-SG 3.4Å | ||
| 38 | L | 91.4 | Very high | 94.1 | Very high | 99 Ų | 99 | 56.7 Ų | 56.7 | 52% | 0.518 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -55 | -42.2 | -178 | -178.8 | 69.6 | 0 | 0 | 0 | 113.2 | Y42 S83 I86 | L38-Y42 VanDerWaalsContact O-CB 3.24Å; L38-Y42 WeakPolarHBondContact O-CB 3.44Å; L38-Y42 PolarHBondContact O-N 2.97Å; L38-S83 WeakPolarHBondContact CD1-OG 3.31Å; L38-I86 HydrophobicContact CD1-CD1 3.68Å; L38-I86 HydrophobicContact CD1-CG1 4.42Å |
| 39 | N | 92.3 | Very high | 94.1 | Very high | 121 Ų | 121 | 58.4 Ų | 58.4 | 65% | 0.647 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -75.4 | -40.6 | -172.6 | -58.5 | -64 | 0 | 0 | 0 | 111.4 | D37 F43 | D37-N39 VanDerWaalsContact C-N 3.3Å; D37-N39 PolarHBondContact O-N 3.32Å; D37-N39 WeakPolarHBondContact OD1-CA 3.46Å; D37-N39 WeakPolarHBondContact OD1-CB 3.32Å; D37-N39 PolarHBondContact OD1-N 2.83Å; N39-F43 VanDerWaalsContact O-CB 3.28Å; N39-F43 WeakPolarHBondContact O-CB 3.41Å; N39-F43 PolarHBondContact O-N 2.94Å |
| 40 | S | 93.5 | Very high | 94 | Very high | 21 Ų | 21 | 60.3 Ų | 60.3 | 15% | 0.147 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.8 | -41.1 | 177.2 | 57.9 | 0 | 0 | 0 | 0 | 112 | D37 F43 G44 | D37-S40 PolarHBondContact N-OG 3.29Å; D37-S40 PolarHBondContact O-N 3.32Å; D37-S40 PolarHBondContact O-OG 3.07Å; D37-S40 VanDerWaalsContact O-OG 3.12Å; D37-S40 PolarHBondContact OD1-N 3.48Å; D37-S40 VanDerWaalsContact OD2-CB 3.32Å; D37-S40 WeakPolarHBondContact OD2-CB 3.45Å; D37-S40 PolarHBondContact OD2-OG 3.36Å; S40-F43 PolarHBondContact O-N 2.93Å; S40-G44 PolarHBondContact O-N 3.31Å |
| 41 | C | 94.8 | Very high | 94 | Very high | 3 Ų | 3 | 56.1 Ų | 56.1 | 2% | 0.02 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.8 | -44.3 | 174.9 | -64.8 | 0 | 0 | 0 | 0 | 112.2 | L32 N35 D37 G44 A45 I86 | L32-C41 HydrophobicContact CD2-CB 4.5Å; L32-C41 WeakPolarHBondContact CD2-O 3.24Å; N35-C41 VanDerWaalsContact CA-SG 3.55Å; N35-C41 PolarHBondContact OD1-SG 2.94Å; D37-C41 PolarHBondContact O-N 3.28Å; D37-C41 VanDerWaalsContact O-N 3.13Å; D37-C41 PolarHBondContact O-SG 3.4Å; C41-G44 PolarHBondContact O-N 2.57Å; C41-A45 WeakPolarHBondContact O-CB 3.32Å; C41-A45 PolarHBondContact O-N 3.1Å; C41-I86 HydrophobicContact CB-CD1 3.59Å; C41-I86 HydrophobicContact CB-CG1 4.46Å |
| 42 | Y | 95.5 | Very high | 93.9 | Very high | 83 Ų | 83 | 54.3 Ų | 54.3 | 33% | 0.325 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.3 | -45.8 | 175.9 | 179.1 | -97.7 | 0 | 0 | 0 | 111.8 | L38 G44 A45 Q46 P85 I86 Q89 | L38-Y42 VanDerWaalsContact O-CB 3.24Å; L38-Y42 WeakPolarHBondContact O-CB 3.44Å; L38-Y42 PolarHBondContact O-N 2.97Å; Y42-G44 VanDerWaalsContact C-N 3.33Å; Y42-G44 PolarHBondContact O-N 2.9Å; Y42-A45 PolarHBondContact O-N 3.3Å; Y42-Q46 VanDerWaalsContact O-CB 3.3Å; Y42-Q46 WeakPolarHBondContact O-CB 3.47Å; Y42-Q46 PolarHBondContact O-N 3.43Å; Y42-P85 HydrophobicContact CD2-CB 3.91Å; Y42-P85 HydrophobicContact CE2-CB 3.8Å; Y42-I86 HydrophobicContact CD2-CG1 4.38Å; Y42-Q89 HydrophobicContact CE2-CG 4.06Å |
| 43 | F | 95.7 | Very high | 93.7 | Very high | 37 Ų | 37 | 55.2 Ų | 55.2 | 16% | 0.162 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.5 | -41.1 | 175.6 | 179.8 | -101.8 | 0 | 0 | 0 | 112.1 | L15 F18 Q19 L31 N39 S40 T47 | L15-F43 HydrophobicContact CB-CE2 4.08Å; L15-F43 HydrophobicContact CB-CZ 4.25Å; L15-F43 HydrophobicContact CD1-CE2 4.34Å; L15-F43 HydrophobicContact CD2-CE1 4.06Å; L15-F43 HydrophobicContact CD2-CE2 3.91Å; L15-F43 HydrophobicContact CD2-CZ 3.55Å; L15-F43 HydrophobicContact CG-CE2 4.33Å; L15-F43 HydrophobicContact CG-CZ 4.38Å; F18-F43 AromaticContact CD1-CE1 4Å; F18-F43 HydrophobicContact CD1-CE1 4Å; F18-F43 AromaticContact CD1-CZ 3.75Å; F18-F43 HydrophobicContact CD1-CZ 3.75Å; F18-F43 AromaticContact CE1-CE1 3.74Å; F18-F43 HydrophobicContact CE1-CE1 3.74Å; F18-F43 AromaticContact CE1-CZ 3.96Å; F18-F43 HydrophobicContact CE1-CZ 3.96Å; Q19-F43 HydrophobicContact CG-CE2 4.23Å; Q19-F43 HydrophobicContact CG-CZ 4.17Å; L31-F43 HydrophobicContact CD1-CD1 4Å; N39-F43 VanDerWaalsContact O-CB 3.28Å; N39-F43 WeakPolarHBondContact O-CB 3.41Å; N39-F43 PolarHBondContact O-N 2.94Å; S40-F43 PolarHBondContact O-N 2.93Å; F43-T47 WeakPolarHBondContact O-CB 3.49Å; F43-T47 PolarHBondContact O-N 2.71Å; F43-T47 PolarHBondContact O-OG1 3.03Å |
| 44 | G | 96.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.8 | -54.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S40 C41 Y42 T47 I48 | S40-G44 PolarHBondContact O-N 3.31Å; C41-G44 PolarHBondContact O-N 2.57Å; Y42-G44 VanDerWaalsContact C-N 3.33Å; Y42-G44 PolarHBondContact O-N 2.9Å; G44-T47 PolarHBondContact O-N 3.25Å; G44-I48 WeakPolarHBondContact O-CG1 3.12Å; G44-I48 PolarHBondContact O-N 3.16Å |
| 45 | A | 96.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -61.2 | -48.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L32 C41 Y42 T47 I48 R49 I86 Q89 L90 | L32-A45 HydrophobicContact CD2-CB 4.03Å; C41-A45 WeakPolarHBondContact O-CB 3.32Å; C41-A45 PolarHBondContact O-N 3.1Å; Y42-A45 PolarHBondContact O-N 3.3Å; A45-T47 VanDerWaalsContact C-N 3.32Å; A45-T47 PolarHBondContact O-N 3.01Å; A45-I48 PolarHBondContact O-N 2.99Å; A45-R49 PolarHBondContact O-N 3.11Å; A45-R49 VanDerWaalsContact O-N 3.13Å; A45-I86 HydrophobicContact CB-CG2 4.42Å; A45-Q89 HydrophobicContact CB-CB 3.63Å; A45-L90 HydrophobicContact CB-CD2 3.77Å; A45-L90 HydrophobicContact CB-CG 3.92Å |
| 46 | Q | 96.5 | Very high | 93.2 | Very high | 68 Ų | 68 | 46.2 Ų | 46.2 | 32% | 0.318 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.2 | -40 | 178.6 | -174.7 | -173 | 43.2 | 0 | 0 | 111.8 | Y42 R49 K50 Q89 | Y42-Q46 VanDerWaalsContact O-CB 3.3Å; Y42-Q46 WeakPolarHBondContact O-CB 3.47Å; Y42-Q46 PolarHBondContact O-N 3.43Å; Q46-R49 PolarHBondContact O-N 3.41Å; Q46-K50 WeakPolarHBondContact O-CB 3.18Å; Q46-K50 PolarHBondContact O-N 2.73Å; Q46-Q89 HydrophobicContact CB-CG 4.46Å |
| 47 | T | 96.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.4 | -44 | -179.1 | -61.7 | 0 | 0 | 0 | 0 | 111.4 | Q19 A24 S28 F43 G44 A45 R49 K50 K51 | Q19-T47 HydrophobicContact CG-CG2 3.86Å; Q19-T47 PolarHBondContact NE2-OG1 3.07Å; A24-T47 HydrophobicContact CB-CG2 3.89Å; S28-T47 VanDerWaalsContact OG-CB 3.28Å; S28-T47 WeakPolarHBondContact OG-CB 3.34Å; S28-T47 WeakPolarHBondContact OG-CG2 3.4Å; F43-T47 WeakPolarHBondContact O-CB 3.49Å; F43-T47 PolarHBondContact O-N 2.71Å; F43-T47 PolarHBondContact O-OG1 3.03Å; G44-T47 PolarHBondContact O-N 3.25Å; A45-T47 VanDerWaalsContact C-N 3.32Å; A45-T47 PolarHBondContact O-N 3.01Å; T47-R49 VanDerWaalsContact C-N 3.33Å; T47-R49 PolarHBondContact O-N 3.12Å; T47-K50 PolarHBondContact O-N 2.64Å; T47-K51 HydrophobicContact CG2-CG 4.28Å; T47-K51 WeakPolarHBondContact O-CB 3.27Å; T47-K51 VanDerWaalsContact O-CG 3.27Å; T47-K51 WeakPolarHBondContact O-CG 3.29Å; T47-K51 PolarHBondContact O-N 3.41Å |
| 48 | I | 96.5 | Very high | 92.7 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.9 | -47.2 | 175.6 | -68.2 | 178.6 | 0 | 0 | 0 | 110.5 | D29 L32 G44 A45 K50 K51 I52 L67 L71 | D29-I48 HydrophobicContact CB-CD1 4.23Å; L32-I48 HydrophobicContact CD1-CD1 3.57Å; G44-I48 WeakPolarHBondContact O-CG1 3.12Å; G44-I48 PolarHBondContact O-N 3.16Å; A45-I48 PolarHBondContact O-N 2.99Å; I48-K50 PolarHBondContact O-N 3.45Å; I48-K51 PolarHBondContact O-N 2.92Å; I48-I52 HydrophobicContact CG2-CD1 3.79Å; I48-I52 HydrophobicContact CG2-CG1 4.5Å; I48-I52 WeakPolarHBondContact O-CG1 3.4Å; I48-I52 PolarHBondContact O-N 3.29Å; I48-L67 HydrophobicContact CG2-CD1 4.29Å; I48-L71 HydrophobicContact CG2-CD1 4.38Å; I48-L71 HydrophobicContact CG2-CD2 3.93Å; I48-L71 HydrophobicContact CG2-CG 4.48Å |
| 49 | R | 96 | Very high | 92.5 | Very high | 36 Ų | 36 | 37.4 Ų | 37.4 | 14% | 0.136 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56 | -51.9 | 177 | -169.6 | -173.3 | 171.7 | -162.5 | 0.9 | 111.9 | A45 Q46 T47 K51 I52 Q53 L92 A93 D96 E135 | A45-R49 PolarHBondContact O-N 3.11Å; A45-R49 VanDerWaalsContact O-N 3.13Å; Q46-R49 PolarHBondContact O-N 3.41Å; T47-R49 VanDerWaalsContact C-N 3.33Å; T47-R49 PolarHBondContact O-N 3.12Å; R49-K51 VanDerWaalsContact C-N 3.27Å; R49-K51 PolarHBondContact O-N 3.01Å; R49-I52 WeakPolarHBondContact O-CA 3.44Å; R49-I52 WeakPolarHBondContact O-CB 3.43Å; R49-I52 PolarHBondContact O-N 3.45Å; R49-Q53 WeakPolarHBondContact O-CG 3.39Å; R49-Q53 PolarHBondContact O-N 3.36Å; R49-L92 VanDerWaalsContact NH1-CD1 3.33Å; R49-A93 HydrophobicContact CB-CB 4.01Å; R49-A93 HydrophobicContact CG-CB 4.26Å; R49-D96 WeakPolarHBondContact CG-OD2 3.48Å; R49-D96 IonicContact CZ-OD2 3.59Å; R49-D96 IonicContact NE-OD2 3.03Å; R49-D96 PolarHBondContact NE-OD2 3.03Å; R49-E135 IonicContact CZ-OE1 3.01Å; R49-E135 IonicContact NH2-OE1 2.67Å; R49-E135 PolarHBondContact NH2-OE1 3.15Å; R49-E135 IonicContact NH2-OE2 3.38Å |
| 50 | K | 93.3 | Very high | 92.2 | Very high | 78 Ų | 78 | 35.2 Ų | 35.2 | 34% | 0.339 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -61.2 | -35 | 179.3 | -173.9 | 173.1 | 179.2 | -179.2 | 0 | 112.8 | Q46 T47 I48 Q53 C54 | Q46-K50 WeakPolarHBondContact O-CB 3.18Å; Q46-K50 PolarHBondContact O-N 2.73Å; T47-K50 PolarHBondContact O-N 2.64Å; I48-K50 PolarHBondContact O-N 3.45Å; K50-Q53 PolarHBondContact O-N 3.11Å; K50-C54 PolarHBondContact O-N 3.02Å |
| 51 | K | 93.9 | Very high | 91.7 | Very high | 1 Ų | 1 | 36 Ų | 36 | 0% | 0.004 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.1 | -39.7 | 174.1 | -73.5 | -67.9 | -59.3 | -173.6 | 0 | 111.2 | Q19 S21 A24 W25 T47 I48 R49 H55 F56 E58 | Q19-K51 WeakPolarHBondContact O-CD 3.49Å; S21-K51 PolarHBondContact O-NZ 3.4Å; A24-K51 HydrophobicContact CB-CD 3.92Å; A24-K51 HydrophobicContact CB-CG 4.1Å; W25-K51 HydrophobicContact CD2-CB 3.94Å; W25-K51 HydrophobicContact CD2-CG 4.3Å; W25-K51 HydrophobicContact CE3-CB 3.78Å; W25-K51 HydrophobicContact CE3-CG 4.44Å; W25-K51 HydrophobicContact CH2-CB 3.41Å; W25-K51 VanDerWaalsContact CH2-CB 3.41Å; W25-K51 WeakPolarHBondContact CH2-O 3.46Å; W25-K51 HydrophobicContact CZ2-CB 3.55Å; W25-K51 HydrophobicContact CZ2-CG 4.49Å; W25-K51 HydrophobicContact CZ3-CB 3.52Å; T47-K51 HydrophobicContact CG2-CG 4.28Å; T47-K51 WeakPolarHBondContact O-CB 3.27Å; T47-K51 VanDerWaalsContact O-CG 3.27Å; T47-K51 WeakPolarHBondContact O-CG 3.29Å; T47-K51 PolarHBondContact O-N 3.41Å; I48-K51 PolarHBondContact O-N 2.92Å; R49-K51 VanDerWaalsContact C-N 3.27Å; R49-K51 PolarHBondContact O-N 3.01Å; K51-H55 HydrophobicContact CD-CB 4.28Å; K51-H55 CarbonylContact O-C 3.59Å; K51-H55 VanDerWaalsContact O-CA 3.31Å; K51-H55 WeakPolarHBondContact O-CA 3.47Å; K51-H55 WeakPolarHBondContact O-CB 3.46Å; K51-H55 PolarHBondContact O-N 3.05Å; K51-F56 PolarHBondContact O-N 3.29Å; K51-F56 VanDerWaalsContact O-N 3.11Å; K51-E58 IonicContact NZ-OE1 2.7Å; K51-E58 PolarHBondContact NZ-OE1 3.22Å; K51-E58 IonicContact NZ-OE2 2.81Å; K51-E58 PolarHBondContact NZ-OE2 2.81Å |
| 52 | I | 93.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.3 | -42.3 | 173.5 | -65.5 | 160.7 | 0 | 0 | 0 | 111.1 | W25 I48 R49 F56 L67 L71 A93 D96 L97 H100 | W25-I52 HydrophobicContact CH2-CG1 3.92Å; W25-I52 HydrophobicContact CZ3-CG1 3.85Å; I48-I52 HydrophobicContact CG2-CD1 3.79Å; I48-I52 HydrophobicContact CG2-CG1 4.5Å; I48-I52 WeakPolarHBondContact O-CG1 3.4Å; I48-I52 PolarHBondContact O-N 3.29Å; R49-I52 WeakPolarHBondContact O-CA 3.44Å; R49-I52 WeakPolarHBondContact O-CB 3.43Å; R49-I52 PolarHBondContact O-N 3.45Å; I52-F56 WeakPolarHBondContact O-CB 3.41Å; I52-L67 HydrophobicContact CD1-CD2 4.35Å; I52-L67 HydrophobicContact CG1-CD2 4.17Å; I52-L71 HydrophobicContact CD1-CD1 3.8Å; I52-A93 HydrophobicContact CD1-CB 4.15Å; I52-D96 HydrophobicContact CG2-CB 3.75Å; I52-L97 HydrophobicContact CD1-CB 4.23Å; I52-L97 HydrophobicContact CG2-CB 4.38Å; I52-H100 PolarHBondContact O-CD2 3.35Å; I52-H100 VanDerWaalsContact O-CD2 3.3Å; I52-H100 PolarHBondContact O-NE2 3.12Å |
| 53 | Q | 90.5 | Very high | 91.1 | Very high | 34 Ų | 34 | 43.4 Ų | 43.4 | 16% | 0.159 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -70.2 | -42.4 | -178.2 | -67.3 | 176.6 | -31.9 | 0 | 0 | 113.4 | R49 K50 D96 L141 | R49-Q53 WeakPolarHBondContact O-CG 3.39Å; R49-Q53 PolarHBondContact O-N 3.36Å; K50-Q53 PolarHBondContact O-N 3.11Å; Q53-D96 HydrophobicContact CG-CB 4.49Å; Q53-D96 WeakPolarHBondContact CG-OD2 3.35Å; Q53-D96 PolarHBondContact NE2-OD2 3.48Å; Q53-L141 HydrophobicContact CG-CD1 4.01Å |
| 54 | C | 86.3 | Confident | 91 | Very high | 76 Ų | 76 | 41.7 Ų | 41.7 | 51% | 0.514 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -108.6 | -21.4 | -168.7 | -56.9 | 0 | 0 | 0 | 0 | 114.8 | K50 | K50-C54 PolarHBondContact O-N 3.02Å |
| 55 | H | 87.8 | Confident | 90.8 | Very high | 44 Ų | 44 | 45.7 Ų | 45.7 | 20% | 0.204 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -136.1 | 18.6 | -165.7 | -57.5 | 96.8 | 0 | 0 | 0 | 112.9 | K51 T57 E58 | K51-H55 HydrophobicContact CD-CB 4.28Å; K51-H55 CarbonylContact O-C 3.59Å; K51-H55 VanDerWaalsContact O-CA 3.31Å; K51-H55 WeakPolarHBondContact O-CA 3.47Å; K51-H55 WeakPolarHBondContact O-CB 3.46Å; K51-H55 PolarHBondContact O-N 3.05Å; H55-T57 PolarHBondContact O-N 3.31Å; H55-E58 HydrophobicContact CB-CG 4.2Å; H55-E58 WeakPolarHBondContact CB-OE1 3.49Å; H55-E58 IonicContact CD2-OE1 3.38Å; H55-E58 PolarHBondContact CD2-OE1 2.75Å; H55-E58 IonicContact CG-OE1 3.12Å; H55-E58 VanDerWaalsContact O-CB 3.32Å; H55-E58 WeakPolarHBondContact O-CB 3.22Å; H55-E58 WeakPolarHBondContact O-CG 3.37Å; H55-E58 PolarHBondContact O-N 3.35Å |
| 56 | F | 88.9 | Confident | 90.7 | Very high | 5 Ų | 5 | 48 Ų | 48 | 2% | 0.022 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -58.2 | -31.7 | -178.4 | -172.5 | -112.8 | 0 | 0 | 0 | 112.8 | K51 I52 E58 L59 H64 L97 H100 M101 | K51-F56 PolarHBondContact O-N 3.29Å; K51-F56 VanDerWaalsContact O-N 3.11Å; I52-F56 WeakPolarHBondContact O-CB 3.41Å; F56-E58 PolarHBondContact O-N 3.25Å; F56-E58 VanDerWaalsContact O-N 3.16Å; F56-L59 PolarHBondContact O-N 3.45Å; F56-L59 VanDerWaalsContact O-N 3.07Å; F56-H64 AromaticContact CE1-CE1 3.56Å; F56-H64 AromaticContact CE1-NE2 3.79Å; F56-H64 AromaticContact CZ-CD2 3.75Å; F56-H64 AromaticContact CZ-CE1 3.45Å; F56-H64 VanDerWaalsContact CZ-CE1 3.45Å; F56-H64 WeakPolarHBondContact CZ-CE1 3.49Å; F56-H64 AromaticContact CZ-CG 3.88Å; F56-H64 AromaticContact CZ-ND1 3.71Å; F56-H64 AromaticContact CZ-NE2 3.49Å; F56-H64 WeakPolarHBondContact CZ-NE2 3.28Å; F56-L97 HydrophobicContact CD2-CD1 4.42Å; F56-L97 HydrophobicContact CE2-CD1 3.52Å; F56-L97 HydrophobicContact CZ-CD1 4.01Å; F56-H100 HydrophobicContact CD1-CB 3.95Å; F56-H100 HydrophobicContact CE1-CB 3.99Å; F56-H100 HydrophobicContact CG-CB 4.33Å; F56-H100 HydrophobicContact CZ-CB 4.41Å; F56-M101 HydrophobicContact CZ-CB 4.46Å |
| 57 | T | 84.2 | Confident | 90.6 | Very high | 75 Ų | 75 | 45.8 Ų | 45.8 | 46% | 0.46 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -64.9 | -13.2 | 177.4 | 49.4 | 0 | 0 | 0 | 0 | 114.6 | H55 L59 R1080 | H55-T57 PolarHBondContact O-N 3.31Å; T57-L59 VanDerWaalsContact C-N 3.32Å; T57-R1080 VanDerWaalsContact CG2-CD 3.41Å; T57-R1080 HydrophobicContact CG2-CG 3.65Å |
| 58 | E | 86.6 | Confident | 90.6 | Very high | 74 Ų | 74 | 46.6 Ų | 46.6 | 35% | 0.346 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -73.5 | -24.4 | 172.4 | -63.8 | 176.4 | -169.5 | 0 | 0 | 112.7 | K51 H55 F56 | K51-E58 IonicContact NZ-OE1 2.7Å; K51-E58 PolarHBondContact NZ-OE1 3.22Å; K51-E58 IonicContact NZ-OE2 2.81Å; K51-E58 PolarHBondContact NZ-OE2 2.81Å; H55-E58 HydrophobicContact CB-CG 4.2Å; H55-E58 WeakPolarHBondContact CB-OE1 3.49Å; H55-E58 IonicContact CD2-OE1 3.38Å; H55-E58 PolarHBondContact CD2-OE1 2.75Å; H55-E58 IonicContact CG-OE1 3.12Å; H55-E58 VanDerWaalsContact O-CB 3.32Å; H55-E58 WeakPolarHBondContact O-CB 3.22Å; H55-E58 WeakPolarHBondContact O-CG 3.37Å; H55-E58 PolarHBondContact O-N 3.35Å; F56-E58 PolarHBondContact O-N 3.25Å; F56-E58 VanDerWaalsContact O-N 3.16Å |
| 59 | L | 86.2 | Confident | 90.5 | Very high | 29 Ų | 29 | 50 Ų | 50 | 15% | 0.152 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -84.2 | 131.5 | 179.8 | -69.3 | 176.7 | 0 | 0 | 0 | 110.4 | W25 F56 T57 L67 | W25-L59 HydrophobicContact CD2-CD1 3.95Å; W25-L59 HydrophobicContact CD2-CD2 4.12Å; W25-L59 HydrophobicContact CD2-CG 4.18Å; W25-L59 HydrophobicContact CE3-CD1 3.98Å; W25-L59 HydrophobicContact CG-CD2 4.09Å; W25-L59 HydrophobicContact CH2-CD1 3.58Å; W25-L59 HydrophobicContact CH2-CG 4.28Å; W25-L59 HydrophobicContact CZ2-CD1 3.55Å; W25-L59 HydrophobicContact CZ2-CG 3.73Å; W25-L59 HydrophobicContact CZ3-CD1 3.81Å; F56-L59 PolarHBondContact O-N 3.45Å; F56-L59 VanDerWaalsContact O-N 3.07Å; T57-L59 VanDerWaalsContact C-N 3.32Å; L59-L67 HydrophobicContact CD1-CD2 3.82Å |
| 60 | P | 85.2 | Confident | 90.5 | Very high | 74 Ų | 74 | 48.9 Ų | 48.9 | 48% | 0.481 | 28% | 0.28 | S | S | . | . | trans | -69 | 147.4 | 170.6 | 29 | -32.4 | 0 | 0 | 0 | 109.8 | E62 S63 H64 | P60-E62 PolarHBondContact O-N 2.99Å; P60-S63 WeakPolarHBondContact O-CB 3.34Å; P60-S63 PolarHBondContact O-N 3.5Å; P60-H64 PolarHBondContact O-CD2 2.8Å | ||
| 61 | G | 84.5 | Confident | 90.6 | Very high | 38 Ų | 38 | 45.2 Ų | 45.2 | 39% | 0.392 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -53.6 | -29.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | S63 H64 | G61-S63 VanDerWaalsContact C-N 3.26Å; G61-S63 PolarHBondContact O-N 3.26Å; G61-H64 WeakPolarHBondContact O-CB 3.26Å; G61-H64 PolarHBondContact O-N 2.94Å |
| 62 | E | 86.7 | Confident | 90.7 | Very high | 188 Ų | 188 | 45.5 Ų | 45.5 | 88% | 0.879 | 27% | 0.266 | S | S | * | . | G | 310 helix | trans | -65 | -26.2 | 176.8 | -58.6 | 178.4 | -174.1 | 0 | 0 | 113.4 | P60 | P60-E62 PolarHBondContact O-N 2.99Š|
| 63 | S | 90.7 | Very high | 90.8 | Very high | 54 Ų | 54 | 48.7 Ų | 48.7 | 38% | 0.378 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -84.9 | -13.5 | -179.3 | -62.6 | 0 | 0 | 0 | 0 | 113.4 | P60 G61 E65 G66 L67 | P60-S63 WeakPolarHBondContact O-CB 3.34Å; P60-S63 PolarHBondContact O-N 3.5Å; G61-S63 VanDerWaalsContact C-N 3.26Å; G61-S63 PolarHBondContact O-N 3.26Å; S63-E65 PolarHBondContact O-N 3.21Å; S63-G66 PolarHBondContact O-N 2.66Å; S63-L67 PolarHBondContact O-N 3.03Å; S63-L67 VanDerWaalsContact O-N 3.15Å |
| 64 | H | 92.7 | Very high | 91 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.1 | -41.4 | -175.4 | -64 | 178.9 | 0 | 0 | 0 | 112.3 | F56 P60 G61 G66 L67 K68 M101 Q103 | F56-H64 AromaticContact CE1-CE1 3.56Å; F56-H64 AromaticContact CE1-NE2 3.79Å; F56-H64 AromaticContact CZ-CD2 3.75Å; F56-H64 AromaticContact CZ-CE1 3.45Å; F56-H64 VanDerWaalsContact CZ-CE1 3.45Å; F56-H64 WeakPolarHBondContact CZ-CE1 3.49Å; F56-H64 AromaticContact CZ-CG 3.88Å; F56-H64 AromaticContact CZ-ND1 3.71Å; F56-H64 AromaticContact CZ-NE2 3.49Å; F56-H64 WeakPolarHBondContact CZ-NE2 3.28Å; P60-H64 PolarHBondContact O-CD2 2.8Å; G61-H64 WeakPolarHBondContact O-CB 3.26Å; G61-H64 PolarHBondContact O-N 2.94Å; H64-G66 VanDerWaalsContact C-N 3.32Å; H64-G66 PolarHBondContact O-N 2.88Å; H64-L67 PolarHBondContact O-N 3.18Å; H64-K68 WeakPolarHBondContact O-CB 3.47Å; H64-K68 PolarHBondContact O-N 3.41Å; H64-M101 HydrophobicContact CB-CE 3.62Å; H64-M101 HydrophobicContact CB-CG 4.28Å; H64-M101 HydrophobicContact CB-SD 3.95Å; H64-Q103 PolarHBondContact ND1-OE1 3.48Å; H64-Q103 VanDerWaalsContact ND1-OE1 3.16Å |
| 65 | E | 93.4 | Very high | 91.4 | Very high | 83 Ų | 83 | 44 Ų | 44 | 39% | 0.388 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.8 | -36.9 | 177.5 | -78.4 | -65.9 | 136.1 | 0 | 0 | 112.6 | S63 K68 N69 M101 | S63-E65 PolarHBondContact O-N 3.21Å; E65-K68 IonicContact OE1-NZ 3.09Å; E65-K68 PolarHBondContact OE1-NZ 3Å; E65-K68 WeakPolarHBondContact OE2-CE 3.38Å; E65-K68 IonicContact OE2-NZ 2.72Å; E65-K68 PolarHBondContact OE2-NZ 3.29Å; E65-N69 PolarHBondContact O-N 3.48Å; E65-N69 VanDerWaalsContact O-N 3.08Å; E65-N69 PolarHBondContact O-ND2 3.42Å; E65-M101 HydrophobicContact CG-CE 4.14Å; E65-M101 WeakPolarHBondContact OE1-CE 3.48Å |
| 66 | G | 94.2 | Very high | 91.7 | Very high | 48 Ų | 48 | 47.3 Ų | 47.3 | 50% | 0.495 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65 | -48.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | S63 H64 K68 N69 S70 | S63-G66 PolarHBondContact O-N 2.66Å; H64-G66 VanDerWaalsContact C-N 3.32Å; H64-G66 PolarHBondContact O-N 2.88Å; G66-K68 PolarHBondContact O-N 3.3Å; G66-N69 PolarHBondContact O-N 3.28Å; G66-S70 PolarHBondContact O-N 3.33Å |
| 67 | L | 94.7 | Very high | 91.8 | Very high | 23 Ų | 23 | 52 Ų | 52 | 12% | 0.12 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.5 | -44.8 | 176.9 | 178.8 | 62.3 | 0 | 0 | 0 | 111.6 | W25 I48 I52 L59 S63 H64 N69 S70 L71 L97 | W25-L67 HydrophobicContact CE3-CD2 4.48Å; W25-L67 HydrophobicContact CH2-CD2 4.39Å; W25-L67 HydrophobicContact CZ3-CD2 3.82Å; I48-L67 HydrophobicContact CG2-CD1 4.29Å; I52-L67 HydrophobicContact CD1-CD2 4.35Å; I52-L67 HydrophobicContact CG1-CD2 4.17Å; L59-L67 HydrophobicContact CD1-CD2 3.82Å; S63-L67 PolarHBondContact O-N 3.03Å; S63-L67 VanDerWaalsContact O-N 3.15Å; H64-L67 PolarHBondContact O-N 3.18Å; L67-N69 PolarHBondContact O-N 3.31Å; L67-S70 PolarHBondContact O-N 3.46Å; L67-L71 HydrophobicContact CD1-CD1 4.23Å; L67-L71 HydrophobicContact CD1-CG 4.31Å; L67-L71 HydrophobicContact CG-CD1 4.26Å; L67-L71 PolarHBondContact O-N 3.27Å; L67-L97 HydrophobicContact CD2-CD1 4.11Å; L67-L97 HydrophobicContact CD2-CD2 4.38Å; L67-L97 HydrophobicContact CG-CD2 4.14Å |
| 68 | K | 95.7 | Very high | 92.2 | Very high | 16 Ų | 16 | 49.1 Ų | 49.1 | 7% | 0.07 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -54.8 | -51.1 | 175.7 | 178.6 | -174.5 | 69.8 | -178.8 | 0 | 111.7 | H64 E65 G66 S70 L72 L97 M101 W104 | H64-K68 WeakPolarHBondContact O-CB 3.47Å; H64-K68 PolarHBondContact O-N 3.41Å; E65-K68 IonicContact OE1-NZ 3.09Å; E65-K68 PolarHBondContact OE1-NZ 3Å; E65-K68 WeakPolarHBondContact OE2-CE 3.38Å; E65-K68 IonicContact OE2-NZ 2.72Å; E65-K68 PolarHBondContact OE2-NZ 3.29Å; G66-K68 PolarHBondContact O-N 3.3Å; K68-S70 VanDerWaalsContact C-N 3.34Å; K68-S70 PolarHBondContact O-N 3.36Å; K68-L72 HydrophobicContact CG-CD1 3.98Å; K68-L72 VanDerWaalsContact O-CG 3.32Å; K68-L72 WeakPolarHBondContact O-CG 3.46Å; K68-L72 PolarHBondContact O-N 3.03Å; K68-L72 VanDerWaalsContact O-N 3.11Å; K68-L97 HydrophobicContact CB-CD2 4Å; K68-M101 HydrophobicContact CB-SD 4.35Å; K68-M101 HydrophobicContact CD-SD 4.34Å; K68-W104 HydrophobicContact CD-CD2 3.55Å; K68-W104 VanDerWaalsContact CD-CE2 3.44Å; K68-W104 HydrophobicContact CD-CE3 3.82Å; K68-W104 HydrophobicContact CD-CG 4.13Å; K68-W104 HydrophobicContact CD-CH2 3.98Å; K68-W104 HydrophobicContact CD-CZ2 3.68Å; K68-W104 HydrophobicContact CD-CZ3 4.03Å; K68-W104 HydrophobicContact CG-CD2 4.26Å; K68-W104 HydrophobicContact CG-CE3 4.05Å; K68-W104 HydrophobicContact CG-CH2 3.73Å; K68-W104 HydrophobicContact CG-CZ2 3.9Å; K68-W104 HydrophobicContact CG-CZ3 3.79Å |
| 69 | N | 95.6 | Very high | 92.4 | Very high | 73 Ų | 73 | 54.1 Ų | 54.1 | 39% | 0.39 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67 | -36.9 | -177.9 | -70.9 | -38.2 | 0 | 0 | 0 | 112 | E65 G66 L67 Q73 K114 | E65-N69 PolarHBondContact O-N 3.48Å; E65-N69 VanDerWaalsContact O-N 3.08Å; E65-N69 PolarHBondContact O-ND2 3.42Å; G66-N69 PolarHBondContact O-N 3.28Å; L67-N69 PolarHBondContact O-N 3.31Å; N69-Q73 WeakPolarHBondContact O-CB 3.37Å; N69-Q73 PolarHBondContact O-N 3.02Å; N69-K114 PolarHBondContact OD1-NZ 3.01Å; N69-K114 VanDerWaalsContact OD1-NZ 3.09Å |
| 70 | S | 96.1 | Very high | 92.4 | Very high | 13 Ų | 13 | 60.3 Ų | 60.3 | 9% | 0.091 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.6 | -49.6 | 176.1 | -162.5 | 0 | 0 | 0 | 0 | 112 | D29 Y33 G66 L67 K68 L72 Q73 H74 | D29-S70 PolarHBondContact OD1-OG 2.88Å; Y33-S70 PolarHBondContact OH-OG 3.24Å; G66-S70 PolarHBondContact O-N 3.33Å; L67-S70 PolarHBondContact O-N 3.46Å; K68-S70 VanDerWaalsContact C-N 3.34Å; K68-S70 PolarHBondContact O-N 3.36Å; S70-L72 PolarHBondContact O-N 3.47Å; S70-Q73 WeakPolarHBondContact O-CB 3.37Å; S70-Q73 PolarHBondContact O-N 3.09Å; S70-Q73 VanDerWaalsContact O-N 3.11Å; S70-H74 PolarHBondContact O-CD2 2.95Å; S70-H74 PolarHBondContact O-N 3.02Å; S70-H74 PolarHBondContact OG-NE2 3.29Å |
| 71 | L | 95.9 | Very high | 92.6 | Very high | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.6 | -43.8 | 179 | -79.5 | 174.7 | 0 | 0 | 0 | 113 | I48 I52 L67 Q73 H74 V75 L90 A93 V94 L97 | I48-L71 HydrophobicContact CG2-CD1 4.38Å; I48-L71 HydrophobicContact CG2-CD2 3.93Å; I48-L71 HydrophobicContact CG2-CG 4.48Å; I52-L71 HydrophobicContact CD1-CD1 3.8Å; L67-L71 HydrophobicContact CD1-CD1 4.23Å; L67-L71 HydrophobicContact CD1-CG 4.31Å; L67-L71 HydrophobicContact CG-CD1 4.26Å; L67-L71 PolarHBondContact O-N 3.27Å; L71-Q73 VanDerWaalsContact C-N 3.27Å; L71-Q73 PolarHBondContact O-N 2.82Å; L71-H74 PolarHBondContact O-N 3.44Å; L71-V75 WeakPolarHBondContact O-CG2 3.39Å; L71-V75 PolarHBondContact O-N 2.86Å; L71-L90 HydrophobicContact CD2-CD2 4.32Å; L71-A93 HydrophobicContact CD1-CB 4.23Å; L71-A93 HydrophobicContact CD2-CB 4.01Å; L71-V94 HydrophobicContact CB-CG2 3.94Å; L71-L97 HydrophobicContact CD1-CB 4.42Å; L71-L97 HydrophobicContact CD1-CD2 3.84Å |
| 72 | L | 95.4 | Very high | 92.9 | Very high | 6 Ų | 6 | 63.3 Ų | 63.3 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.1 | -34.2 | 176.6 | -69 | 171.2 | 0 | 0 | 0 | 112 | K68 S70 R76 V94 W104 I111 K114 | K68-L72 HydrophobicContact CG-CD1 3.98Å; K68-L72 VanDerWaalsContact O-CG 3.32Å; K68-L72 WeakPolarHBondContact O-CG 3.46Å; K68-L72 PolarHBondContact O-N 3.03Å; K68-L72 VanDerWaalsContact O-N 3.11Å; S70-L72 PolarHBondContact O-N 3.47Å; L72-R76 WeakPolarHBondContact O-CB 3.46Å; L72-R76 PolarHBondContact O-N 3Å; L72-V94 HydrophobicContact CD2-CG1 4.05Å; L72-V94 HydrophobicContact CD2-CG2 4.41Å; L72-W104 HydrophobicContact CD1-CH2 4.08Å; L72-W104 HydrophobicContact CD1-CZ2 4.01Å; L72-W104 HydrophobicContact CD2-CH2 4.38Å; L72-W104 HydrophobicContact CG-CH2 4.46Å; L72-I111 HydrophobicContact CD2-CG1 4.12Å; L72-K114 HydrophobicContact CD1-CD 3.74Å |
| 73 | Q | 94.9 | Very high | 93.1 | Very high | 67 Ų | 67 | 56.4 Ų | 56.4 | 31% | 0.313 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -68.1 | -44.7 | 174.6 | -174.6 | 61.2 | 21.7 | 0 | 0 | 111.5 | N69 S70 L71 V75 R76 E77 | N69-Q73 WeakPolarHBondContact O-CB 3.37Å; N69-Q73 PolarHBondContact O-N 3.02Å; S70-Q73 WeakPolarHBondContact O-CB 3.37Å; S70-Q73 PolarHBondContact O-N 3.09Å; S70-Q73 VanDerWaalsContact O-N 3.11Å; L71-Q73 VanDerWaalsContact C-N 3.27Å; L71-Q73 PolarHBondContact O-N 2.82Å; Q73-V75 VanDerWaalsContact C-N 3.3Å; Q73-V75 PolarHBondContact O-N 3.26Å; Q73-R76 PolarHBondContact O-N 3.1Å; Q73-R76 VanDerWaalsContact O-N 3.12Å; Q73-E77 PolarHBondContact NE2-OE1 3.25Å; Q73-E77 WeakPolarHBondContact O-CG 3.19Å; Q73-E77 PolarHBondContact O-N 3.31Å |
| 74 | H | 94.9 | Very high | 93.2 | Very high | 11 Ų | 11 | 58.7 Ų | 58.7 | 5% | 0.051 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.9 | -41.3 | 175.6 | -71.5 | -55.1 | 0 | 0 | 0 | 112 | D29 L32 Y33 S70 L71 E77 L90 | D29-H74 IonicContact OD1-CD2 3.25Å; D29-H74 IonicContact OD1-NE2 3Å; D29-H74 PolarHBondContact OD1-NE2 2.7Å; L32-H74 VanDerWaalsContact CB-CE1 3.4Å; L32-H74 WeakPolarHBondContact CB-CE1 3.39Å; Y33-H74 AromaticContact CD1-CE1 3.81Å; Y33-H74 AromaticContact CD2-CE1 3.56Å; Y33-H74 AromaticContact CD2-NE2 3.95Å; Y33-H74 AromaticContact CE1-CE1 3.8Å; Y33-H74 AromaticContact CE2-CE1 3.57Å; Y33-H74 AromaticContact CE2-NE2 3.66Å; Y33-H74 AromaticContact CG-CE1 3.68Å; Y33-H74 AromaticContact CZ-CE1 3.69Å; Y33-H74 AromaticContact CZ-NE2 3.96Å; S70-H74 PolarHBondContact O-CD2 2.95Å; S70-H74 PolarHBondContact O-N 3.02Å; S70-H74 PolarHBondContact OG-NE2 3.29Å; L71-H74 PolarHBondContact O-N 3.44Å; H74-E77 PolarHBondContact O-N 3.49Å; H74-L90 HydrophobicContact CB-CD1 4.17Å; H74-L90 HydrophobicContact CB-CD2 4.36Å |
| 75 | V | 95 | Very high | 93.3 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.2 | -40.5 | 175.2 | 175.4 | 0 | 0 | 0 | 0 | 111.8 | L71 Q73 E77 L78 L90 V94 L115 I128 | L71-V75 WeakPolarHBondContact O-CG2 3.39Å; L71-V75 PolarHBondContact O-N 2.86Å; Q73-V75 VanDerWaalsContact C-N 3.3Å; Q73-V75 PolarHBondContact O-N 3.26Å; V75-E77 PolarHBondContact O-N 2.91Å; V75-L78 HydrophobicContact CB-CD1 4.43Å; V75-L78 HydrophobicContact CG1-CD1 4.16Å; V75-L78 VanDerWaalsContact O-CB 3.31Å; V75-L78 WeakPolarHBondContact O-CB 3.25Å; V75-L78 VanDerWaalsContact O-CG 3.3Å; V75-L78 WeakPolarHBondContact O-CG 3.43Å; V75-L78 PolarHBondContact O-N 2.87Å; V75-L90 HydrophobicContact CG2-CB 4.02Å; V75-V94 HydrophobicContact CG2-CG2 3.98Å; V75-L115 HydrophobicContact CB-CD1 4.49Å; V75-L115 HydrophobicContact CB-CD2 4.34Å; V75-L115 HydrophobicContact CG1-CD1 3.71Å; V75-L115 HydrophobicContact CG1-CD2 3.96Å; V75-I128 HydrophobicContact CG1-CD1 3.9Å; V75-I128 HydrophobicContact CG2-CD1 4.44Å |
| 76 | R | 93.7 | Very high | 93.3 | Very high | 115 Ų | 115 | 58.6 Ų | 58.6 | 43% | 0.434 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.4 | -29.9 | 178.5 | -169.2 | 179 | -176.6 | -176.7 | 6.4 | 112.7 | L72 Q73 L78 L115 E117 | L72-R76 WeakPolarHBondContact O-CB 3.46Å; L72-R76 PolarHBondContact O-N 3Å; Q73-R76 PolarHBondContact O-N 3.1Å; Q73-R76 VanDerWaalsContact O-N 3.12Å; R76-L78 VanDerWaalsContact C-N 3.32Å; R76-L115 HydrophobicContact CB-CD2 3.94Å; R76-E117 IonicContact CZ-OE2 2.66Å; R76-E117 IonicContact NH2-OE2 2.75Å; R76-E117 PolarHBondContact NH2-OE2 3.22Å |
| 77 | E | 91.8 | Very high | 93.4 | Very high | 102 Ų | 102 | 56.3 Ų | 56.3 | 48% | 0.477 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -4.1 | 179 | -70.2 | -178.7 | -172.5 | 0 | 0 | 113.9 | Q73 H74 V75 | Q73-E77 PolarHBondContact NE2-OE1 3.25Å; Q73-E77 WeakPolarHBondContact O-CG 3.19Å; Q73-E77 PolarHBondContact O-N 3.31Å; H74-E77 PolarHBondContact O-N 3.49Å; V75-E77 PolarHBondContact O-N 2.91Å |
| 78 | L | 91.6 | Very high | 93.4 | Very high | 15 Ų | 15 | 57.4 Ų | 57.4 | 8% | 0.079 | 28% | 0.282 | C | S | . | . | trans | -61.2 | 137.1 | 174.8 | -64.8 | 174.5 | 0 | 0 | 0 | 111.2 | V75 R76 T82 A87 L90 V120 Y124 | V75-L78 HydrophobicContact CB-CD1 4.43Å; V75-L78 HydrophobicContact CG1-CD1 4.16Å; V75-L78 VanDerWaalsContact O-CB 3.31Å; V75-L78 WeakPolarHBondContact O-CB 3.25Å; V75-L78 VanDerWaalsContact O-CG 3.3Å; V75-L78 WeakPolarHBondContact O-CG 3.43Å; V75-L78 PolarHBondContact O-N 2.87Å; R76-L78 VanDerWaalsContact C-N 3.32Å; L78-T82 HydrophobicContact CD2-CG2 3.61Å; L78-A87 HydrophobicContact CD1-CB 3.94Å; L78-A87 HydrophobicContact CD2-CB 4.4Å; L78-L90 HydrophobicContact CD2-CD1 4.11Å; L78-V120 WeakPolarHBondContact O-CG1 3.27Å; L78-Y124 HydrophobicContact CB-CD2 3.9Å; L78-Y124 HydrophobicContact CB-CE2 3.6Å; L78-Y124 HydrophobicContact CD1-CD1 4.34Å; L78-Y124 HydrophobicContact CD1-CD2 3.79Å; L78-Y124 HydrophobicContact CD1-CE1 4.5Å; L78-Y124 HydrophobicContact CD1-CE2 3.96Å; L78-Y124 HydrophobicContact CD1-CG 3.98Å; L78-Y124 HydrophobicContact CG-CE2 4.41Å | ||
| 79 | R | 90.9 | Very high | 93.4 | Very high | 179 Ų | 179 | 58 Ų | 58 | 68% | 0.675 | 29% | 0.285 | S | S | * | . | trans | -111.9 | 160.7 | 177.8 | -57.5 | -176.5 | -173.9 | -165.2 | 0.9 | 110.5 | N81 T82 | R79-N81 VanDerWaalsContact CB-OD1 3.27Å; R79-N81 WeakPolarHBondContact CB-OD1 3.38Å; R79-N81 PolarHBondContact O-N 2.81Å; R79-N81 VanDerWaalsContact O-N 3.11Å; R79-T82 PolarHBondContact N-OG1 3.42Å; R79-T82 WeakPolarHBondContact O-CB 3.46Å; R79-T82 PolarHBondContact O-N 2.93Å; R79-T82 PolarHBondContact O-OG1 3.34Å | ||
| 80 | E | 86.3 | Confident | 93.5 | Very high | 159 Ų | 159 | 54.8 Ų | 54.8 | 74% | 0.743 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -31 | 179.4 | -62.9 | -179.5 | 170.3 | 0 | 0 | 113.7 | T82 V120 | E80-T82 VanDerWaalsContact C-N 3.3Å; E80-V120 HydrophobicContact CG-CB 4.44Å; E80-V120 HydrophobicContact CG-CG1 4.13Å; E80-V120 HydrophobicContact CG-CG2 3.51Å |
| 81 | N | 89.7 | Confident | 93.5 | Very high | 140 Ų | 140 | 54.1 Ų | 54.1 | 75% | 0.749 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | 6.2 | 178.1 | 69.6 | -24.7 | 0 | 0 | 0 | 113.8 | R79 | R79-N81 VanDerWaalsContact CB-OD1 3.27Å; R79-N81 WeakPolarHBondContact CB-OD1 3.38Å; R79-N81 PolarHBondContact O-N 2.81Å; R79-N81 VanDerWaalsContact O-N 3.11Å |
| 82 | T | 91 | Very high | 93.6 | Very high | 36 Ų | 36 | 55 Ų | 55 | 22% | 0.221 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -70.1 | 135.6 | 177.1 | -47.8 | 0 | 0 | 0 | 0 | 109.5 | L78 R79 E80 L84 | L78-T82 HydrophobicContact CD2-CG2 3.61Å; R79-T82 PolarHBondContact N-OG1 3.42Å; R79-T82 WeakPolarHBondContact O-CB 3.46Å; R79-T82 PolarHBondContact O-N 2.93Å; R79-T82 PolarHBondContact O-OG1 3.34Å; E80-T82 VanDerWaalsContact C-N 3.3Å; T82-L84 PolarHBondContact O-N 2.89Å |
| 83 | S | 92.1 | Very high | 93.7 | Very high | 42 Ų | 42 | 54.7 Ų | 54.7 | 29% | 0.294 | 27% | 0.266 | S | S | . | . | trans | -58.8 | 124.8 | 178.8 | -171.3 | 0 | 0 | 0 | 0 | 111 | L38 P85 I86 A87 | L38-S83 WeakPolarHBondContact CD1-OG 3.31Å; S83-P85 VanDerWaalsContact C-N 3.34Å; S83-P85 WeakPolarHBondContact OG-CD 3.38Å; S83-I86 PolarHBondContact O-N 3.2Å; S83-A87 PolarHBondContact O-N 2.94Å; S83-A87 VanDerWaalsContact O-N 3.16Å | ||
| 84 | L | 92.2 | Very high | 93.8 | Very high | 103 Ų | 103 | 51.6 Ų | 51.6 | 54% | 0.539 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -52.6 | -41.9 | -178.8 | -178.3 | 66.5 | 0 | 0 | 0 | 113.4 | T82 I86 A87 N88 | T82-L84 PolarHBondContact O-N 2.89Å; L84-I86 VanDerWaalsContact C-N 3.3Å; L84-I86 PolarHBondContact O-N 3.11Å; L84-A87 PolarHBondContact O-N 3.19Å; L84-N88 WeakPolarHBondContact CD1-OD1 3.34Å; L84-N88 WeakPolarHBondContact O-CB 3.25Å; L84-N88 PolarHBondContact O-N 2.97Å |
| 85 | P | 93.5 | Very high | 93.9 | Very high | 67 Ų | 67 | 51 Ų | 51 | 44% | 0.435 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -53.2 | -39.9 | 171.5 | -30.2 | 33.3 | 0 | 0 | 0 | 115.1 | Y42 S83 Q89 | Y42-P85 HydrophobicContact CD2-CB 3.91Å; Y42-P85 HydrophobicContact CE2-CB 3.8Å; S83-P85 VanDerWaalsContact C-N 3.34Å; S83-P85 WeakPolarHBondContact OG-CD 3.38Å; P85-Q89 VanDerWaalsContact O-CG 3.25Å; P85-Q89 WeakPolarHBondContact O-CG 3.44Å; P85-Q89 PolarHBondContact O-N 3.22Å |
| 86 | I | 94.9 | Very high | 93.9 | Very high | 14 Ų | 14 | 51 Ų | 51 | 7% | 0.072 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -71 | -49.3 | 178.5 | -64.1 | 173 | 0 | 0 | 0 | 109.7 | L38 C41 Y42 A45 S83 L84 N88 Q89 L90 | L38-I86 HydrophobicContact CD1-CD1 3.68Å; L38-I86 HydrophobicContact CD1-CG1 4.42Å; C41-I86 HydrophobicContact CB-CD1 3.59Å; C41-I86 HydrophobicContact CB-CG1 4.46Å; Y42-I86 HydrophobicContact CD2-CG1 4.38Å; A45-I86 HydrophobicContact CB-CG2 4.42Å; S83-I86 PolarHBondContact O-N 3.2Å; L84-I86 VanDerWaalsContact C-N 3.3Å; L84-I86 PolarHBondContact O-N 3.11Å; I86-N88 VanDerWaalsContact C-N 3.31Å; I86-N88 PolarHBondContact O-N 3.49Å; I86-Q89 PolarHBondContact O-N 2.86Å; I86-L90 HydrophobicContact CG2-CD1 4.08Å; I86-L90 PolarHBondContact O-N 3.43Å; I86-L90 VanDerWaalsContact O-N 3.08Å |
| 87 | A | 94.7 | Very high | 94 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.4 | -46.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | L78 S83 L84 Q89 L90 C91 Y124 | L78-A87 HydrophobicContact CD1-CB 3.94Å; L78-A87 HydrophobicContact CD2-CB 4.4Å; S83-A87 PolarHBondContact O-N 2.94Å; S83-A87 VanDerWaalsContact O-N 3.16Å; L84-A87 PolarHBondContact O-N 3.19Å; A87-Q89 PolarHBondContact O-N 3.2Å; A87-L90 PolarHBondContact O-N 3.29Å; A87-C91 WeakPolarHBondContact O-CB 3.26Å; A87-C91 PolarHBondContact O-N 3.46Å; A87-C91 PolarHBondContact O-SG 3.07Å; A87-Y124 HydrophobicContact CB-CD1 4.01Å; A87-Y124 HydrophobicContact CB-CE1 3.43Å; A87-Y124 VanDerWaalsContact CB-CE1 3.43Å |
| 88 | N | 95.2 | Very high | 94.2 | Very high | 47 Ų | 47 | 40.8 Ų | 40.8 | 25% | 0.251 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.4 | -42.6 | 177.7 | -74.1 | -1.4 | 0 | 0 | 0 | 112.4 | L84 I86 L90 C91 L92 | L84-N88 WeakPolarHBondContact CD1-OD1 3.34Å; L84-N88 WeakPolarHBondContact O-CB 3.25Å; L84-N88 PolarHBondContact O-N 2.97Å; I86-N88 VanDerWaalsContact C-N 3.31Å; I86-N88 PolarHBondContact O-N 3.49Å; N88-L90 VanDerWaalsContact C-N 3.31Å; N88-L90 PolarHBondContact O-N 2.97Å; N88-C91 PolarHBondContact O-N 2.89Å; N88-L92 VanDerWaalsContact O-CB 3.29Å; N88-L92 WeakPolarHBondContact O-CB 3.24Å; N88-L92 WeakPolarHBondContact O-CD1 3.42Å; N88-L92 WeakPolarHBondContact O-CG 3.46Å; N88-L92 PolarHBondContact O-N 3.31Å |
| 89 | Q | 96.1 | Very high | 94.3 | Very high | 28 Ų | 28 | 40.1 Ų | 40.1 | 13% | 0.131 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.9 | -37.8 | 177.6 | -69.8 | -63.1 | -26.6 | 0 | 0 | 112.2 | Y42 A45 Q46 P85 I86 A87 A93 | Y42-Q89 HydrophobicContact CE2-CG 4.06Å; A45-Q89 HydrophobicContact CB-CB 3.63Å; Q46-Q89 HydrophobicContact CB-CG 4.46Å; P85-Q89 VanDerWaalsContact O-CG 3.25Å; P85-Q89 WeakPolarHBondContact O-CG 3.44Å; P85-Q89 PolarHBondContact O-N 3.22Å; I86-Q89 PolarHBondContact O-N 2.86Å; A87-Q89 PolarHBondContact O-N 3.2Å; Q89-A93 VanDerWaalsContact O-CB 3.28Å; Q89-A93 WeakPolarHBondContact O-CB 3.45Å; Q89-A93 PolarHBondContact O-N 3.02Å |
| 90 | L | 97 | Very high | 94.2 | Very high | 5 Ų | 5 | 32.1 Ų | 32.1 | 3% | 0.026 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -71.8 | -43.8 | 176.5 | -65.6 | 173.3 | 0 | 0 | 0 | 112 | L32 A45 L71 H74 V75 L78 I86 A87 N88 L92 A93 V94 | L32-L90 HydrophobicContact CD1-CD2 3.68Å; L32-L90 HydrophobicContact CD2-CD2 4.24Å; A45-L90 HydrophobicContact CB-CD2 3.77Å; A45-L90 HydrophobicContact CB-CG 3.92Å; L71-L90 HydrophobicContact CD2-CD2 4.32Å; H74-L90 HydrophobicContact CB-CD1 4.17Å; H74-L90 HydrophobicContact CB-CD2 4.36Å; V75-L90 HydrophobicContact CG2-CB 4.02Å; L78-L90 HydrophobicContact CD2-CD1 4.11Å; I86-L90 HydrophobicContact CG2-CD1 4.08Å; I86-L90 PolarHBondContact O-N 3.43Å; I86-L90 VanDerWaalsContact O-N 3.08Å; A87-L90 PolarHBondContact O-N 3.29Å; N88-L90 VanDerWaalsContact C-N 3.31Å; N88-L90 PolarHBondContact O-N 2.97Å; L90-L92 VanDerWaalsContact C-N 3.33Å; L90-L92 PolarHBondContact O-N 2.85Å; L90-A93 PolarHBondContact O-N 3.48Å; L90-V94 WeakPolarHBondContact O-CG2 3.07Å; L90-V94 PolarHBondContact O-N 3.35Å |
| 91 | C | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.3 | -43.1 | 175.4 | -67.9 | 0 | 0 | 0 | 0 | 111.6 | A87 N88 V94 A95 I128 F131 | A87-C91 WeakPolarHBondContact O-CB 3.26Å; A87-C91 PolarHBondContact O-N 3.46Å; A87-C91 PolarHBondContact O-SG 3.07Å; N88-C91 PolarHBondContact O-N 2.89Å; C91-V94 PolarHBondContact O-N 3.47Å; C91-A95 PolarHBondContact O-N 3.46Å; C91-I128 HydrophobicContact CB-CD1 4.38Å; C91-I128 HydrophobicContact CB-CG1 3.58Å; C91-F131 HydrophobicContact CB-CD2 3.76Å; C91-F131 HydrophobicContact CB-CE2 3.76Å |
| 92 | L | 97.2 | Very high | 94.5 | Very high | 19 Ų | 19 | 20 Ų | 20 | 10% | 0.099 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67.2 | -38.9 | 175.1 | -70.8 | 159.5 | 0 | 0 | 0 | 111.7 | R49 N88 L90 V94 A95 D96 F131 E135 | R49-L92 VanDerWaalsContact NH1-CD1 3.33Å; N88-L92 VanDerWaalsContact O-CB 3.29Å; N88-L92 WeakPolarHBondContact O-CB 3.24Å; N88-L92 WeakPolarHBondContact O-CD1 3.42Å; N88-L92 WeakPolarHBondContact O-CG 3.46Å; N88-L92 PolarHBondContact O-N 3.31Å; L90-L92 VanDerWaalsContact C-N 3.33Å; L90-L92 PolarHBondContact O-N 2.85Å; L92-V94 VanDerWaalsContact C-N 3.29Å; L92-V94 PolarHBondContact O-N 2.97Å; L92-A95 WeakPolarHBondContact O-CB 3.36Å; L92-A95 PolarHBondContact O-N 3.34Å; L92-A95 VanDerWaalsContact O-N 3.14Å; L92-D96 WeakPolarHBondContact O-CB 3.06Å; L92-D96 PolarHBondContact O-N 3.42Å; L92-F131 HydrophobicContact CD2-CB 3.75Å; L92-F131 HydrophobicContact CD2-CD1 3.82Å; L92-F131 HydrophobicContact CD2-CD2 3.75Å; L92-F131 HydrophobicContact CD2-CE1 4.37Å; L92-F131 HydrophobicContact CD2-CE2 4.31Å; L92-F131 HydrophobicContact CD2-CG 3.5Å; L92-F131 VanDerWaalsContact CD2-CG 3.5Å; L92-F131 HydrophobicContact CG-CD2 3.75Å; L92-F131 HydrophobicContact CG-CE2 4.01Å; L92-F131 HydrophobicContact CG-CG 4.05Å; L92-E135 HydrophobicContact CD2-CG 4.06Å; L92-E135 WeakPolarHBondContact CD2-OE1 3.46Å |
| 93 | A | 97.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.4 | -36.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | R49 I52 L71 Q89 L90 L97 | R49-A93 HydrophobicContact CB-CB 4.01Å; R49-A93 HydrophobicContact CG-CB 4.26Å; I52-A93 HydrophobicContact CD1-CB 4.15Å; L71-A93 HydrophobicContact CD1-CB 4.23Å; L71-A93 HydrophobicContact CD2-CB 4.01Å; Q89-A93 VanDerWaalsContact O-CB 3.28Å; Q89-A93 WeakPolarHBondContact O-CB 3.45Å; Q89-A93 PolarHBondContact O-N 3.02Å; L90-A93 PolarHBondContact O-N 3.48Å; A93-L97 VanDerWaalsContact O-CB 3.24Å; A93-L97 WeakPolarHBondContact O-CB 3.48Å; A93-L97 PolarHBondContact O-N 3.21Å |
| 94 | V | 97.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.006 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.5 | -43.8 | 172.8 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | L71 L72 V75 L90 C91 L92 L97 F98 W104 I111 I128 | L71-V94 HydrophobicContact CB-CG2 3.94Å; L72-V94 HydrophobicContact CD2-CG1 4.05Å; L72-V94 HydrophobicContact CD2-CG2 4.41Å; V75-V94 HydrophobicContact CG2-CG2 3.98Å; L90-V94 WeakPolarHBondContact O-CG2 3.07Å; L90-V94 PolarHBondContact O-N 3.35Å; C91-V94 PolarHBondContact O-N 3.47Å; L92-V94 VanDerWaalsContact C-N 3.29Å; L92-V94 PolarHBondContact O-N 2.97Å; V94-L97 PolarHBondContact O-N 3.16Å; V94-F98 WeakPolarHBondContact O-CB 3.33Å; V94-F98 PolarHBondContact O-N 3.02Å; V94-W104 HydrophobicContact CG1-CH2 4.41Å; V94-I111 HydrophobicContact CG1-CD1 4.05Å; V94-I111 HydrophobicContact CG1-CG1 4.37Å; V94-I128 HydrophobicContact CB-CD1 4.47Å; V94-I128 HydrophobicContact CG1-CD1 4.36Å; V94-I128 HydrophobicContact CG1-CG2 4.08Å |
| 95 | A | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.1 | -50.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | C91 L92 L97 F98 C99 F131 I132 E135 | C91-A95 PolarHBondContact O-N 3.46Å; L92-A95 WeakPolarHBondContact O-CB 3.36Å; L92-A95 PolarHBondContact O-N 3.34Å; L92-A95 VanDerWaalsContact O-N 3.14Å; A95-L97 VanDerWaalsContact C-N 3.31Å; A95-L97 PolarHBondContact O-N 3.43Å; A95-F98 PolarHBondContact O-N 3.01Å; A95-C99 PolarHBondContact O-N 2.85Å; A95-C99 PolarHBondContact O-SG 2.93Å; A95-C99 VanDerWaalsContact O-SG 3.42Å; A95-F131 HydrophobicContact CB-CB 3.93Å; A95-I132 HydrophobicContact CB-CG1 3.9Å; A95-E135 HydrophobicContact CB-CG 4.36Å |
| 96 | D | 96.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -56.9 | -44.5 | 176.9 | -68.4 | -24.5 | 0 | 0 | 0 | 111.1 | R49 I52 Q53 L92 C99 H100 E135 L141 | R49-D96 WeakPolarHBondContact CG-OD2 3.48Å; R49-D96 IonicContact CZ-OD2 3.59Å; R49-D96 IonicContact NE-OD2 3.03Å; R49-D96 PolarHBondContact NE-OD2 3.03Å; I52-D96 HydrophobicContact CG2-CB 3.75Å; Q53-D96 HydrophobicContact CG-CB 4.49Å; Q53-D96 WeakPolarHBondContact CG-OD2 3.35Å; Q53-D96 PolarHBondContact NE2-OD2 3.48Å; L92-D96 WeakPolarHBondContact O-CB 3.06Å; L92-D96 PolarHBondContact O-N 3.42Å; D96-C99 PolarHBondContact O-N 3.18Å; D96-H100 PolarHBondContact O-N 2.9Å; D96-E135 VanDerWaalsContact OD1-CD 3.29Å; D96-E135 VanDerWaalsContact OD1-CG 3.25Å; D96-E135 WeakPolarHBondContact OD1-CG 3.28Å; D96-L141 HydrophobicContact CB-CD1 3.99Å |
| 97 | L | 95.7 | Very high | 93.4 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.4 | -44.9 | 178.1 | -179.7 | 61.5 | 0 | 0 | 0 | 111.6 | I52 F56 L67 K68 L71 A93 V94 A95 C99 H100 M101 W104 | I52-L97 HydrophobicContact CD1-CB 4.23Å; I52-L97 HydrophobicContact CG2-CB 4.38Å; F56-L97 HydrophobicContact CD2-CD1 4.42Å; F56-L97 HydrophobicContact CE2-CD1 3.52Å; F56-L97 HydrophobicContact CZ-CD1 4.01Å; L67-L97 HydrophobicContact CD2-CD1 4.11Å; L67-L97 HydrophobicContact CD2-CD2 4.38Å; L67-L97 HydrophobicContact CG-CD2 4.14Å; K68-L97 HydrophobicContact CB-CD2 4Å; L71-L97 HydrophobicContact CD1-CB 4.42Å; L71-L97 HydrophobicContact CD1-CD2 3.84Å; A93-L97 VanDerWaalsContact O-CB 3.24Å; A93-L97 WeakPolarHBondContact O-CB 3.48Å; A93-L97 PolarHBondContact O-N 3.21Å; V94-L97 PolarHBondContact O-N 3.16Å; A95-L97 VanDerWaalsContact C-N 3.31Å; A95-L97 PolarHBondContact O-N 3.43Å; L97-C99 VanDerWaalsContact C-N 3.28Å; L97-C99 PolarHBondContact O-N 3.5Å; L97-H100 PolarHBondContact O-N 3.27Å; L97-M101 HydrophobicContact CD1-CB 4.17Å; L97-M101 HydrophobicContact CG-CB 4.47Å; L97-M101 WeakPolarHBondContact O-CB 3.15Å; L97-M101 PolarHBondContact O-N 3.14Å; L97-W104 HydrophobicContact CD2-CZ3 4.49Å; L97-W104 HydrophobicContact CG-CZ3 4.45Å |
| 98 | F | 95.2 | Very high | 93.4 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 0% | 0.004 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -57.5 | -44.4 | 176.5 | 170 | -94.7 | 0 | 0 | 0 | 111 | V94 A95 H100 W104 I108 I132 R147 L151 F155 | V94-F98 WeakPolarHBondContact O-CB 3.33Å; V94-F98 PolarHBondContact O-N 3.02Å; A95-F98 PolarHBondContact O-N 3.01Å; F98-H100 PolarHBondContact O-N 2.78Å; F98-W104 HydrophobicContact CB-CE3 4.03Å; F98-W104 HydrophobicContact CB-CZ3 3.94Å; F98-W104 HydrophobicContact CD2-CD2 4.11Å; F98-W104 HydrophobicContact CD2-CE3 4.09Å; F98-W104 HydrophobicContact CD2-CG 4.41Å; F98-I108 HydrophobicContact CZ-CG1 4.45Å; F98-I132 HydrophobicContact CD1-CD1 4.36Å; F98-I132 HydrophobicContact CD1-CG1 4.26Å; F98-I132 HydrophobicContact CD1-CG2 3.84Å; F98-I132 HydrophobicContact CE1-CG2 3.87Å; F98-R147 PolarHBondContact O-NH2 3.38Å; F98-R147 VanDerWaalsContact O-NH2 3.09Å; F98-L151 HydrophobicContact CD1-CD2 4.39Å; F98-L151 HydrophobicContact CE1-CD2 3.7Å; F98-L151 HydrophobicContact CZ-CD2 4.06Å; F98-F155 AromaticContact CE1-CE1 3.43Å; F98-F155 HydrophobicContact CE1-CE1 3.43Å; F98-F155 VanDerWaalsContact CE1-CE1 3.43Å; F98-F155 AromaticContact CE1-CZ 3.82Å; F98-F155 HydrophobicContact CE1-CZ 3.82Å; F98-F155 AromaticContact CZ-CE1 3.88Å; F98-F155 HydrophobicContact CZ-CE1 3.88Å |
| 99 | C | 93.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.8 | -43.7 | 177.2 | -71 | 0 | 0 | 0 | 0 | 112.1 | A95 D96 L97 L141 L143 R147 L151 | A95-C99 PolarHBondContact O-N 2.85Å; A95-C99 PolarHBondContact O-SG 2.93Å; A95-C99 VanDerWaalsContact O-SG 3.42Å; D96-C99 PolarHBondContact O-N 3.18Å; L97-C99 VanDerWaalsContact C-N 3.28Å; L97-C99 PolarHBondContact O-N 3.5Å; C99-L141 HydrophobicContact CB-CD2 3.49Å; C99-L141 VanDerWaalsContact CB-CD2 3.49Å; C99-L143 HydrophobicContact CB-CD1 4.16Å; C99-R147 VanDerWaalsContact O-CZ 3.31Å; C99-R147 PolarHBondContact O-NE 3.37Å; C99-R147 PolarHBondContact O-NH2 2.79Å; C99-L151 HydrophobicContact CB-CD1 3.99Å |
| 100 | H | 89.3 | Confident | 93.1 | Very high | 11 Ų | 11 | 28.1 Ų | 28.1 | 5% | 0.051 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -77.7 | -33.9 | 179.8 | -90.6 | -50.9 | 0 | 0 | 0 | 115.7 | I52 F56 D96 L97 F98 V102 L141 R1080 | I52-H100 PolarHBondContact O-CD2 3.35Å; I52-H100 VanDerWaalsContact O-CD2 3.3Å; I52-H100 PolarHBondContact O-NE2 3.12Å; F56-H100 HydrophobicContact CD1-CB 3.95Å; F56-H100 HydrophobicContact CE1-CB 3.99Å; F56-H100 HydrophobicContact CG-CB 4.33Å; F56-H100 HydrophobicContact CZ-CB 4.41Å; D96-H100 PolarHBondContact O-N 2.9Å; L97-H100 PolarHBondContact O-N 3.27Å; F98-H100 PolarHBondContact O-N 2.78Å; H100-V102 PolarHBondContact O-N 3.25Å; H100-L141 WeakPolarHBondContact CD2-CD1 3.49Å; H100-L141 PolarHBondContact CE1-O 2.97Å; H100-L141 WeakPolarHBondContact NE2-CD1 3.37Å; H100-L141 WeakPolarHBondContact NE2-CG 3.2Å; H100-L141 PolarHBondContact NE2-O 3.23Å; H100-R1080 PolarHBondContact O-NH2 2.97Å |
| 101 | M | 92.3 | Very high | 93 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | trans | -79.5 | 92.9 | -170.5 | -174 | 176.3 | 175.9 | 0 | 0 | 111.2 | F56 H64 E65 K68 L97 Q103 W104 R147 | F56-M101 HydrophobicContact CZ-CB 4.46Å; H64-M101 HydrophobicContact CB-CE 3.62Å; H64-M101 HydrophobicContact CB-CG 4.28Å; H64-M101 HydrophobicContact CB-SD 3.95Å; E65-M101 HydrophobicContact CG-CE 4.14Å; E65-M101 WeakPolarHBondContact OE1-CE 3.48Å; K68-M101 HydrophobicContact CB-SD 4.35Å; K68-M101 HydrophobicContact CD-SD 4.34Å; L97-M101 HydrophobicContact CD1-CB 4.17Å; L97-M101 HydrophobicContact CG-CB 4.47Å; L97-M101 WeakPolarHBondContact O-CB 3.15Å; L97-M101 PolarHBondContact O-N 3.14Å; M101-Q103 HydrophobicContact CE-CB 4.28Å; M101-Q103 PolarHBondContact O-N 3.05Å; M101-W104 HydrophobicContact CB-CB 4.3Å; M101-W104 HydrophobicContact CG-CB 4.07Å; M101-W104 PolarHBondContact O-N 2.89Å; M101-W104 HydrophobicContact SD-CB 4.12Å; M101-W104 HydrophobicContact SD-CE3 4.29Å; M101-R147 PolarHBondContact O-NH2 2.88Å | ||
| 102 | V | 88.9 | Confident | 92.9 | Very high | 45 Ų | 45 | 28.4 Ų | 28.4 | 27% | 0.273 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -29.4 | -177.2 | -175.2 | 0 | 0 | 0 | 0 | 112.9 | H100 W104 L1084 | H100-V102 PolarHBondContact O-N 3.25Å; V102-W104 VanDerWaalsContact C-N 3.32Å; V102-W104 PolarHBondContact O-N 2.77Å; V102-L1084 HydrophobicContact CG2-CB 4.03Å; V102-L1084 HydrophobicContact CG2-CD1 3.78Å; V102-L1084 HydrophobicContact CG2-CG 4.41Å |
| 103 | Q | 88.2 | Confident | 92.7 | Very high | 82 Ų | 82 | 30.8 Ų | 30.8 | 38% | 0.383 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -15.2 | -177.7 | -53.1 | 83.9 | 24.6 | 0 | 0 | 113.8 | H64 M101 K105 | H64-Q103 PolarHBondContact ND1-OE1 3.48Å; H64-Q103 VanDerWaalsContact ND1-OE1 3.16Å; M101-Q103 HydrophobicContact CE-CB 4.28Å; M101-Q103 PolarHBondContact O-N 3.05Å; Q103-K105 PolarHBondContact O-N 3.47Å; Q103-K105 VanDerWaalsContact O-N 3.08Å |
| 104 | W | 91.7 | Very high | 92.5 | Very high | 5 Ų | 5 | 34.2 Ų | 34.2 | 2% | 0.019 | 17% | 0.171 | C | C | . | . | trans | -87.8 | 69.5 | -171.3 | -160.6 | 1.3 | 0 | 0 | 0 | 113.3 | K68 L72 V94 L97 F98 M101 V102 G107 D110 I111 | K68-W104 HydrophobicContact CD-CD2 3.55Å; K68-W104 VanDerWaalsContact CD-CE2 3.44Å; K68-W104 HydrophobicContact CD-CE3 3.82Å; K68-W104 HydrophobicContact CD-CG 4.13Å; K68-W104 HydrophobicContact CD-CH2 3.98Å; K68-W104 HydrophobicContact CD-CZ2 3.68Å; K68-W104 HydrophobicContact CD-CZ3 4.03Å; K68-W104 HydrophobicContact CG-CD2 4.26Å; K68-W104 HydrophobicContact CG-CE3 4.05Å; K68-W104 HydrophobicContact CG-CH2 3.73Å; K68-W104 HydrophobicContact CG-CZ2 3.9Å; K68-W104 HydrophobicContact CG-CZ3 3.79Å; L72-W104 HydrophobicContact CD1-CH2 4.08Å; L72-W104 HydrophobicContact CD1-CZ2 4.01Å; L72-W104 HydrophobicContact CD2-CH2 4.38Å; L72-W104 HydrophobicContact CG-CH2 4.46Å; V94-W104 HydrophobicContact CG1-CH2 4.41Å; L97-W104 HydrophobicContact CD2-CZ3 4.49Å; L97-W104 HydrophobicContact CG-CZ3 4.45Å; F98-W104 HydrophobicContact CB-CE3 4.03Å; F98-W104 HydrophobicContact CB-CZ3 3.94Å; F98-W104 HydrophobicContact CD2-CD2 4.11Å; F98-W104 HydrophobicContact CD2-CE3 4.09Å; F98-W104 HydrophobicContact CD2-CG 4.41Å; M101-W104 HydrophobicContact CB-CB 4.3Å; M101-W104 HydrophobicContact CG-CB 4.07Å; M101-W104 PolarHBondContact O-N 2.89Å; M101-W104 HydrophobicContact SD-CB 4.12Å; M101-W104 HydrophobicContact SD-CE3 4.29Å; V102-W104 VanDerWaalsContact C-N 3.32Å; V102-W104 PolarHBondContact O-N 2.77Å; W104-G107 VanDerWaalsContact CD1-CA 3.41Å; W104-D110 HydrophobicContact CZ2-CB 4.45Å; W104-D110 PolarHBondContact NE1-OD2 3.11Å; W104-I111 HydrophobicContact CH2-CD1 3.91Å; W104-I111 HydrophobicContact CH2-CG1 3.81Å; W104-I111 HydrophobicContact CZ2-CD1 4.06Å; W104-I111 HydrophobicContact CZ2-CG1 3.68Å | ||
| 105 | K | 84.3 | Confident | 92.3 | Very high | 156 Ų | 156 | 34.1 Ų | 34.1 | 68% | 0.678 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -40 | -170.4 | -63.5 | -174.6 | -179.3 | -177.8 | 0 | 115.8 | Q103 Q154 | Q103-K105 PolarHBondContact O-N 3.47Å; Q103-K105 VanDerWaalsContact O-N 3.08Å; K105-Q154 PolarHBondContact O-OE1 2.95Å |
| 106 | D | 86.2 | Confident | 92 | Very high | 100 Ų | 100 | 36.5 Ų | 36.5 | 54% | 0.535 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 29.4 | -178.7 | -74.4 | -60.2 | 0 | 0 | 0 | 112.4 | I108 K109 D110 | D106-I108 PolarHBondContact O-N 2.89Å; D106-K109 PolarHBondContact O-N 3.39Å; D106-K109 VanDerWaalsContact O-N 3.09Å; D106-D110 PolarHBondContact O-N 2.91Å |
| 107 | G | 91.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.4 | -35.3 | -163.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | W104 K109 D110 I111 | W104-G107 VanDerWaalsContact CD1-CA 3.41Å; G107-K109 PolarHBondContact O-N 2.9Å; G107-D110 PolarHBondContact O-N 3.43Å; G107-I111 WeakPolarHBondContact O-CB 3.14Å; G107-I111 WeakPolarHBondContact O-CD1 3.4Å; G107-I111 WeakPolarHBondContact O-CG1 3.43Å; G107-I111 PolarHBondContact O-N 3.41Å |
| 108 | I | 93.9 | Very high | 90.9 | Very high | 6 Ų | 6 | 45.8 Ų | 45.8 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62 | -45 | 175.3 | -71.2 | 170.7 | 0 | 0 | 0 | 111.2 | F98 D106 I111 V112 L129 I132 F155 S158 F161 V162 W188 | F98-I108 HydrophobicContact CZ-CG1 4.45Å; D106-I108 PolarHBondContact O-N 2.89Å; I108-I111 PolarHBondContact O-N 2.97Å; I108-V112 WeakPolarHBondContact O-CB 3.4Å; I108-V112 VanDerWaalsContact O-CG2 3.3Å; I108-V112 WeakPolarHBondContact O-CG2 3.44Å; I108-V112 PolarHBondContact O-N 3.39Å; I108-L129 HydrophobicContact CG2-CD2 4.05Å; I108-I132 HydrophobicContact CG1-CD1 4.47Å; I108-F155 HydrophobicContact CD1-CD1 3.62Å; I108-F155 HydrophobicContact CD1-CE1 3.84Å; I108-S158 WeakPolarHBondContact CD1-OG 3.28Å; I108-F161 HydrophobicContact CG2-CD1 4.28Å; I108-F161 HydrophobicContact CG2-CE1 4.38Å; I108-V162 HydrophobicContact CG2-CG2 3.8Å; I108-W188 HydrophobicContact CD1-CH2 4.04Å; I108-W188 HydrophobicContact CD1-CZ2 4.36Å |
| 109 | K | 92.9 | Very high | 90.4 | Very high | 102 Ų | 102 | 51.9 Ų | 51.9 | 44% | 0.443 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -65.9 | -40.9 | 178.4 | -68.6 | 177.2 | -177 | 166.5 | 0 | 111 | D106 G107 V112 S113 F161 | D106-K109 PolarHBondContact O-N 3.39Å; D106-K109 VanDerWaalsContact O-N 3.09Å; G107-K109 PolarHBondContact O-N 2.9Å; K109-V112 PolarHBondContact O-N 3.22Å; K109-S113 VanDerWaalsContact O-CB 3.31Å; K109-S113 WeakPolarHBondContact O-CB 3.42Å; K109-S113 PolarHBondContact O-N 3.35Å; K109-S113 PolarHBondContact O-OG 3.43Å; K109-F161 HydrophobicContact CG-CD1 4.35Å; K109-F161 HydrophobicContact CG-CE1 4.16Å |
| 110 | D | 93.1 | Very high | 90.2 | Very high | 55 Ų | 55 | 53.5 Ų | 53.5 | 29% | 0.294 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.6 | -47.9 | 175.7 | -70.9 | -11.4 | 0 | 0 | 0 | 111.7 | W104 D106 G107 S113 K114 | W104-D110 HydrophobicContact CZ2-CB 4.45Å; W104-D110 PolarHBondContact NE1-OD2 3.11Å; D106-D110 PolarHBondContact O-N 2.91Å; G107-D110 PolarHBondContact O-N 3.43Å; D110-S113 PolarHBondContact O-N 3Å; D110-S113 PolarHBondContact O-OG 3.48Å; D110-K114 PolarHBondContact O-N 2.91Å; D110-K114 VanDerWaalsContact O-N 3.11Å |
| 111 | I | 94.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.6 | -49.1 | 178.8 | -68.5 | 164.6 | 0 | 0 | 0 | 110.1 | L72 V94 W104 G107 I108 S113 K114 L115 L125 I128 I132 | L72-I111 HydrophobicContact CD2-CG1 4.12Å; V94-I111 HydrophobicContact CG1-CD1 4.05Å; V94-I111 HydrophobicContact CG1-CG1 4.37Å; W104-I111 HydrophobicContact CH2-CD1 3.91Å; W104-I111 HydrophobicContact CH2-CG1 3.81Å; W104-I111 HydrophobicContact CZ2-CD1 4.06Å; W104-I111 HydrophobicContact CZ2-CG1 3.68Å; G107-I111 WeakPolarHBondContact O-CB 3.14Å; G107-I111 WeakPolarHBondContact O-CD1 3.4Å; G107-I111 WeakPolarHBondContact O-CG1 3.43Å; G107-I111 PolarHBondContact O-N 3.41Å; I108-I111 PolarHBondContact O-N 2.97Å; I111-S113 PolarHBondContact O-N 3.24Å; I111-K114 PolarHBondContact O-N 3.07Å; I111-L115 HydrophobicContact CG2-CD1 3.99Å; I111-L115 WeakPolarHBondContact O-CB 3.44Å; I111-L115 PolarHBondContact O-N 3.48Å; I111-L115 VanDerWaalsContact O-N 3.12Å; I111-L125 HydrophobicContact CG2-CD1 3.6Å; I111-I128 HydrophobicContact CD1-CG2 4.4Å; I111-I128 HydrophobicContact CG2-CG2 4.03Å; I111-I132 HydrophobicContact CD1-CD1 4.03Å |
| 112 | V | 94.4 | Very high | 89.9 | Confident | 10 Ų | 10 | 53.3 Ų | 53.3 | 6% | 0.061 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 178.7 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | I108 K109 K114 L115 S116 L125 L129 F161 F165 | I108-V112 WeakPolarHBondContact O-CB 3.4Å; I108-V112 VanDerWaalsContact O-CG2 3.3Å; I108-V112 WeakPolarHBondContact O-CG2 3.44Å; I108-V112 PolarHBondContact O-N 3.39Å; K109-V112 PolarHBondContact O-N 3.22Å; V112-K114 VanDerWaalsContact C-N 3.31Å; V112-K114 PolarHBondContact O-N 2.91Å; V112-L115 PolarHBondContact O-N 3.41Å; V112-S116 WeakPolarHBondContact O-CB 3.38Å; V112-S116 PolarHBondContact O-N 3.44Å; V112-S116 PolarHBondContact O-OG 3.46Å; V112-L125 HydrophobicContact CB-CD2 4.31Å; V112-L125 HydrophobicContact CG1-CD2 4.2Å; V112-L125 HydrophobicContact CG2-CD1 3.91Å; V112-L125 HydrophobicContact CG2-CD2 4.16Å; V112-L125 HydrophobicContact CG2-CG 4.47Å; V112-L129 HydrophobicContact CG2-CD1 4.36Å; V112-L129 HydrophobicContact CG2-CD2 4.44Å; V112-F161 HydrophobicContact CB-CE1 3.93Å; V112-F161 HydrophobicContact CB-CZ 4Å; V112-F161 HydrophobicContact CG1-CE1 4.03Å; V112-F161 HydrophobicContact CG1-CZ 3.67Å; V112-F161 HydrophobicContact CG2-CE1 3.82Å; V112-F161 HydrophobicContact CG2-CZ 4.33Å; V112-F165 HydrophobicContact CG1-CD2 4.43Å |
| 113 | S | 92.5 | Very high | 90 | Very high | 69 Ų | 69 | 53.1 Ų | 53.1 | 48% | 0.483 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.9 | -36.8 | -179.4 | 73 | 0 | 0 | 0 | 0 | 113.1 | K109 D110 I111 | K109-S113 VanDerWaalsContact O-CB 3.31Å; K109-S113 WeakPolarHBondContact O-CB 3.42Å; K109-S113 PolarHBondContact O-N 3.35Å; K109-S113 PolarHBondContact O-OG 3.43Å; D110-S113 PolarHBondContact O-N 3Å; D110-S113 PolarHBondContact O-OG 3.48Å; I111-S113 PolarHBondContact O-N 3.24Å |
| 114 | K | 92.4 | Very high | 90.3 | Very high | 72 Ų | 72 | 50.1 Ų | 50.1 | 31% | 0.313 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -81.7 | -28.8 | -177.3 | -76.2 | 175.3 | 172 | -175.4 | 0 | 114 | N69 L72 D110 I111 V112 | N69-K114 PolarHBondContact OD1-NZ 3.01Å; N69-K114 VanDerWaalsContact OD1-NZ 3.09Å; L72-K114 HydrophobicContact CD1-CD 3.74Å; D110-K114 PolarHBondContact O-N 2.91Å; D110-K114 VanDerWaalsContact O-N 3.11Å; I111-K114 PolarHBondContact O-N 3.07Å; V112-K114 VanDerWaalsContact C-N 3.31Å; V112-K114 PolarHBondContact O-N 2.91Å |
| 115 | L | 94.2 | Very high | 90.5 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -108.6 | -10.2 | -171.6 | -59.6 | -179.1 | 0 | 0 | 0 | 114.3 | V75 R76 I111 V112 S121 C122 L125 I128 | V75-L115 HydrophobicContact CB-CD1 4.49Å; V75-L115 HydrophobicContact CB-CD2 4.34Å; V75-L115 HydrophobicContact CG1-CD1 3.71Å; V75-L115 HydrophobicContact CG1-CD2 3.96Å; R76-L115 HydrophobicContact CB-CD2 3.94Å; I111-L115 HydrophobicContact CG2-CD1 3.99Å; I111-L115 WeakPolarHBondContact O-CB 3.44Å; I111-L115 PolarHBondContact O-N 3.48Å; I111-L115 VanDerWaalsContact O-N 3.12Å; V112-L115 PolarHBondContact O-N 3.41Å; L115-S121 CarbonylContact O-C 3.58Å; L115-S121 VanDerWaalsContact O-C 3.29Å; L115-S121 WeakPolarHBondContact O-CB 3.43Å; L115-S121 PolarHBondContact O-OG 3.25Å; L115-C122 PolarHBondContact O-N 3.25Å; L115-L125 HydrophobicContact CB-CB 4.19Å; L115-L125 HydrophobicContact CB-CD1 4.39Å; L115-L125 HydrophobicContact CB-CD2 4.49Å; L115-L125 HydrophobicContact CD1-CD1 4.49Å; L115-I128 HydrophobicContact CD1-CD1 3.62Å |
| 116 | S | 90.9 | Very high | 91 | Very high | 50 Ų | 50 | 42.6 Ų | 42.6 | 35% | 0.35 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -78.3 | -17.2 | -176.1 | 56 | 0 | 0 | 0 | 0 | 115.5 | V112 | V112-S116 WeakPolarHBondContact O-CB 3.38Å; V112-S116 PolarHBondContact O-N 3.44Å; V112-S116 PolarHBondContact O-OG 3.46Å |
| 117 | E | 84.3 | Confident | 91.4 | Very high | 143 Ų | 143 | 38.8 Ų | 38.8 | 67% | 0.668 | 21% | 0.211 | S | C | * | . | S | Bend | trans | -65.4 | -41.8 | -173.3 | -67.5 | -179.6 | 167.5 | 0 | 0 | 114 | R76 | R76-E117 IonicContact CZ-OE2 2.66Å; R76-E117 IonicContact NH2-OE2 2.75Å; R76-E117 PolarHBondContact NH2-OE2 3.22Å |
| 118 | A | 84.7 | Confident | 91.7 | Very high | 53 Ų | 53 | 38.8 Ų | 38.8 | 44% | 0.438 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -103.2 | 140.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | V120 S121 C122 | A118-V120 VanDerWaalsContact C-N 3.28Å; A118-V120 PolarHBondContact O-N 3.3Å; A118-S121 WeakPolarHBondContact CB-OG 3.5Å; A118-S121 PolarHBondContact O-N 3.41Å; A118-S121 PolarHBondContact O-OG 3.32Å; A118-C122 WeakPolarHBondContact O-CB 3.46Å; A118-C122 PolarHBondContact O-N 2.89Å |
| 119 | E | 84.2 | Confident | 91.9 | Very high | 128 Ų | 128 | 38.5 Ų | 38.5 | 60% | 0.598 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -59.1 | -39.6 | -176.5 | -172.8 | 167.1 | -163.5 | 0 | 0 | 112.5 | C122 S123 | E119-C122 PolarHBondContact O-N 3.09Å; E119-S123 PolarHBondContact O-N 3.35Å |
| 120 | V | 88.5 | Confident | 92.1 | Very high | 34 Ų | 34 | 36 Ų | 36 | 21% | 0.206 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.5 | -51.4 | 178 | -174.8 | 0 | 0 | 0 | 0 | 111.7 | L78 E80 A118 C122 S123 Y124 | L78-V120 WeakPolarHBondContact O-CG1 3.27Å; E80-V120 HydrophobicContact CG-CB 4.44Å; E80-V120 HydrophobicContact CG-CG1 4.13Å; E80-V120 HydrophobicContact CG-CG2 3.51Å; A118-V120 VanDerWaalsContact C-N 3.28Å; A118-V120 PolarHBondContact O-N 3.3Å; V120-C122 VanDerWaalsContact C-N 3.25Å; V120-C122 PolarHBondContact O-N 3.44Å; V120-S123 WeakPolarHBondContact O-CB 3.31Å; V120-S123 PolarHBondContact O-N 3.48Å; V120-S123 VanDerWaalsContact O-N 3.16Å; V120-Y124 HydrophobicContact CG1-CD2 4.4Å; V120-Y124 HydrophobicContact CG1-CE2 3.88Å; V120-Y124 VanDerWaalsContact O-CD2 3.25Å; V120-Y124 WeakPolarHBondContact O-CD2 3.34Å; V120-Y124 PolarHBondContact O-N 2.91Å |
| 121 | S | 87.1 | Confident | 92.2 | Very high | 4 Ų | 4 | 34.3 Ų | 34.3 | 3% | 0.028 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.1 | -31.3 | 178.7 | 58.7 | 0 | 0 | 0 | 0 | 111.8 | L115 A118 S123 Y124 L125 | L115-S121 CarbonylContact O-C 3.58Å; L115-S121 VanDerWaalsContact O-C 3.29Å; L115-S121 WeakPolarHBondContact O-CB 3.43Å; L115-S121 PolarHBondContact O-OG 3.25Å; A118-S121 WeakPolarHBondContact CB-OG 3.5Å; A118-S121 PolarHBondContact O-N 3.41Å; A118-S121 PolarHBondContact O-OG 3.32Å; S121-S123 VanDerWaalsContact C-N 3.3Å; S121-S123 PolarHBondContact O-N 3.46Å; S121-Y124 PolarHBondContact O-N 2.98Å; S121-L125 PolarHBondContact O-N 3.29Å |
| 122 | C | 89.8 | Confident | 92.3 | Very high | 4 Ų | 4 | 34.4 Ų | 34.4 | 3% | 0.027 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.1 | -29.7 | 175.9 | -166.3 | 0 | 0 | 0 | 0 | 112.1 | L115 A118 E119 V120 L125 I126 | L115-C122 PolarHBondContact O-N 3.25Å; A118-C122 WeakPolarHBondContact O-CB 3.46Å; A118-C122 PolarHBondContact O-N 2.89Å; E119-C122 PolarHBondContact O-N 3.09Å; V120-C122 VanDerWaalsContact C-N 3.25Å; V120-C122 PolarHBondContact O-N 3.44Å; C122-L125 WeakPolarHBondContact O-CB 3.33Å; C122-L125 PolarHBondContact O-N 3.32Å; C122-I126 PolarHBondContact O-N 2.8Å |
| 123 | S | 91.1 | Very high | 92.4 | Very high | 41 Ų | 41 | 33.9 Ų | 33.9 | 29% | 0.287 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -65.2 | -42.4 | 171.5 | -171.7 | 0 | 0 | 0 | 0 | 112.1 | E119 V120 S121 K180 | E119-S123 PolarHBondContact O-N 3.35Å; V120-S123 WeakPolarHBondContact O-CB 3.31Å; V120-S123 PolarHBondContact O-N 3.48Å; V120-S123 VanDerWaalsContact O-N 3.16Å; S121-S123 VanDerWaalsContact C-N 3.3Å; S121-S123 PolarHBondContact O-N 3.46Å; S123-K180 PolarHBondContact O-NZ 3.18Å; S123-K180 WeakPolarHBondContact OG-CE 3.5Å; S123-K180 PolarHBondContact OG-NZ 2.82Å |
| 124 | Y | 93.6 | Very high | 92.5 | Very high | 20 Ų | 20 | 33.4 Ų | 33.4 | 8% | 0.078 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -75 | -24.4 | 176 | -64.1 | -63.2 | 0 | 0 | 0 | 113.2 | L78 A87 V120 S121 I126 D127 I128 | L78-Y124 HydrophobicContact CB-CD2 3.9Å; L78-Y124 HydrophobicContact CB-CE2 3.6Å; L78-Y124 HydrophobicContact CD1-CD1 4.34Å; L78-Y124 HydrophobicContact CD1-CD2 3.79Å; L78-Y124 HydrophobicContact CD1-CE1 4.5Å; L78-Y124 HydrophobicContact CD1-CE2 3.96Å; L78-Y124 HydrophobicContact CD1-CG 3.98Å; L78-Y124 HydrophobicContact CG-CE2 4.41Å; A87-Y124 HydrophobicContact CB-CD1 4.01Å; A87-Y124 HydrophobicContact CB-CE1 3.43Å; A87-Y124 VanDerWaalsContact CB-CE1 3.43Å; V120-Y124 HydrophobicContact CG1-CD2 4.4Å; V120-Y124 HydrophobicContact CG1-CE2 3.88Å; V120-Y124 VanDerWaalsContact O-CD2 3.25Å; V120-Y124 WeakPolarHBondContact O-CD2 3.34Å; V120-Y124 PolarHBondContact O-N 2.91Å; S121-Y124 PolarHBondContact O-N 2.98Å; Y124-I126 VanDerWaalsContact C-N 3.32Å; Y124-I126 PolarHBondContact O-N 3.35Å; Y124-D127 WeakPolarHBondContact O-CB 3.38Å; Y124-D127 PolarHBondContact O-N 2.97Å; Y124-D127 VanDerWaalsContact O-N 3.15Å; Y124-I128 WeakPolarHBondContact O-CG1 3.41Å; Y124-I128 PolarHBondContact O-N 3.2Å |
| 125 | L | 95.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.3 | -41.8 | 172.4 | 172.3 | 60.7 | 0 | 0 | 0 | 111.6 | I111 V112 L115 S121 C122 D127 I128 L129 F165 | I111-L125 HydrophobicContact CG2-CD1 3.6Å; V112-L125 HydrophobicContact CB-CD2 4.31Å; V112-L125 HydrophobicContact CG1-CD2 4.2Å; V112-L125 HydrophobicContact CG2-CD1 3.91Å; V112-L125 HydrophobicContact CG2-CD2 4.16Å; V112-L125 HydrophobicContact CG2-CG 4.47Å; L115-L125 HydrophobicContact CB-CB 4.19Å; L115-L125 HydrophobicContact CB-CD1 4.39Å; L115-L125 HydrophobicContact CB-CD2 4.49Å; L115-L125 HydrophobicContact CD1-CD1 4.49Å; S121-L125 PolarHBondContact O-N 3.29Å; C122-L125 WeakPolarHBondContact O-CB 3.33Å; C122-L125 PolarHBondContact O-N 3.32Å; L125-D127 VanDerWaalsContact C-N 3.28Å; L125-D127 PolarHBondContact O-N 2.71Å; L125-I128 PolarHBondContact O-N 3.1Å; L125-L129 HydrophobicContact CD1-CD1 4.34Å; L125-L129 HydrophobicContact CD1-CG 4.23Å; L125-L129 HydrophobicContact CG-CD1 4.32Å; L125-L129 WeakPolarHBondContact O-CG 3.46Å; L125-L129 PolarHBondContact O-N 2.66Å; L125-F165 HydrophobicContact CD2-CE1 4.14Å; L125-F165 HydrophobicContact CD2-CE2 4.06Å; L125-F165 HydrophobicContact CD2-CZ 3.53Å; L125-F165 HydrophobicContact CG-CE1 4.33Å; L125-F165 HydrophobicContact CG-CZ 4.16Å |
| 126 | I | 95.5 | Very high | 92.5 | Very high | 3 Ų | 3 | 30.9 Ų | 30.9 | 2% | 0.015 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.6 | -39.5 | 175.6 | -58.1 | 171.9 | 0 | 0 | 0 | 110.2 | C122 Y124 L129 K130 F165 L166 R169 K180 V181 C184 | C122-I126 PolarHBondContact O-N 2.8Å; Y124-I126 VanDerWaalsContact C-N 3.32Å; Y124-I126 PolarHBondContact O-N 3.35Å; I126-L129 PolarHBondContact O-N 3.16Å; I126-K130 WeakPolarHBondContact O-CB 3.49Å; I126-K130 PolarHBondContact O-N 3.39Å; I126-F165 HydrophobicContact CG1-CE1 4.1Å; I126-L166 HydrophobicContact CG2-CD2 4.16Å; I126-R169 HydrophobicContact CD1-CG 4.41Å; I126-K180 HydrophobicContact CB-CB 4.49Å; I126-K180 HydrophobicContact CD1-CB 4.44Å; I126-K180 HydrophobicContact CG2-CB 3.89Å; I126-V181 HydrophobicContact CD1-CG2 4.49Å; I126-C184 HydrophobicContact CG2-CB 3.9Å |
| 127 | D | 95.1 | Very high | 92.4 | Very high | 20 Ų | 20 | 32 Ų | 32 | 11% | 0.107 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65 | -40.4 | 177 | -54.7 | -36 | 0 | 0 | 0 | 111.4 | Y124 L125 K130 F131 K180 | Y124-D127 WeakPolarHBondContact O-CB 3.38Å; Y124-D127 PolarHBondContact O-N 2.97Å; Y124-D127 VanDerWaalsContact O-N 3.15Å; L125-D127 VanDerWaalsContact C-N 3.28Å; L125-D127 PolarHBondContact O-N 2.71Å; D127-K130 WeakPolarHBondContact O-CB 3.28Å; D127-K130 PolarHBondContact O-N 3.17Å; D127-F131 HydrophobicContact CB-CE2 3.99Å; D127-F131 HydrophobicContact CB-CZ 4.33Å; D127-F131 WeakPolarHBondContact O-CD2 3.3Å; D127-F131 WeakPolarHBondContact O-CG 3.25Å; D127-F131 PolarHBondContact O-N 3.22Å; D127-K180 IonicContact OD1-NZ 3.4Å; D127-K180 PolarHBondContact OD1-NZ 3.33Å; D127-K180 IonicContact OD2-NZ 2.65Å; D127-K180 PolarHBondContact OD2-NZ 3.1Å |
| 128 | I | 97.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.5 | -44.8 | 174.2 | -67.3 | 167.7 | 0 | 0 | 0 | 111.2 | V75 C91 V94 I111 L115 Y124 L125 K130 F131 I132 | V75-I128 HydrophobicContact CG1-CD1 3.9Å; V75-I128 HydrophobicContact CG2-CD1 4.44Å; C91-I128 HydrophobicContact CB-CD1 4.38Å; C91-I128 HydrophobicContact CB-CG1 3.58Å; V94-I128 HydrophobicContact CB-CD1 4.47Å; V94-I128 HydrophobicContact CG1-CD1 4.36Å; V94-I128 HydrophobicContact CG1-CG2 4.08Å; I111-I128 HydrophobicContact CD1-CG2 4.4Å; I111-I128 HydrophobicContact CG2-CG2 4.03Å; L115-I128 HydrophobicContact CD1-CD1 3.62Å; Y124-I128 WeakPolarHBondContact O-CG1 3.41Å; Y124-I128 PolarHBondContact O-N 3.2Å; L125-I128 PolarHBondContact O-N 3.1Å; I128-K130 PolarHBondContact O-N 3.46Å; I128-F131 PolarHBondContact O-N 2.94Å; I128-F131 VanDerWaalsContact O-N 3.12Å; I128-I132 HydrophobicContact CG2-CD1 3.89Å; I128-I132 HydrophobicContact CG2-CG1 4.25Å; I128-I132 WeakPolarHBondContact O-CG1 3.31Å; I128-I132 PolarHBondContact O-N 3.21Å |
| 129 | L | 97.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.5 | -29.8 | 177.7 | -69.3 | 175.1 | 0 | 0 | 0 | 112.3 | I108 V112 L125 I126 P133 V162 F165 W188 | I108-L129 HydrophobicContact CG2-CD2 4.05Å; V112-L129 HydrophobicContact CG2-CD1 4.36Å; V112-L129 HydrophobicContact CG2-CD2 4.44Å; L125-L129 HydrophobicContact CD1-CD1 4.34Å; L125-L129 HydrophobicContact CD1-CG 4.23Å; L125-L129 HydrophobicContact CG-CD1 4.32Å; L125-L129 WeakPolarHBondContact O-CG 3.46Å; L125-L129 PolarHBondContact O-N 2.66Å; I126-L129 PolarHBondContact O-N 3.16Å; L129-P133 WeakPolarHBondContact O-CD 3.2Å; L129-V162 HydrophobicContact CD1-CG1 4.42Å; L129-V162 HydrophobicContact CD2-CG2 4.37Å; L129-F165 HydrophobicContact CD1-CD1 3.9Å; L129-F165 HydrophobicContact CD1-CE1 3.95Å; L129-W188 PolarHBondContact O-NE1 2.69Å |
| 130 | K | 96.7 | Very high | 92.4 | Very high | 50 Ų | 50 | 25.9 Ų | 25.9 | 22% | 0.217 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -70.8 | -44.5 | 169.7 | 176 | -169.6 | 169.3 | 178 | 0 | 111.9 | I126 D127 I128 P133 E134 N183 C184 S187 | I126-K130 WeakPolarHBondContact O-CB 3.49Å; I126-K130 PolarHBondContact O-N 3.39Å; D127-K130 WeakPolarHBondContact O-CB 3.28Å; D127-K130 PolarHBondContact O-N 3.17Å; I128-K130 PolarHBondContact O-N 3.46Å; K130-P133 VanDerWaalsContact O-CD 3.24Å; K130-P133 WeakPolarHBondContact O-CD 3.32Å; K130-P133 VanDerWaalsContact O-CG 3.26Å; K130-P133 WeakPolarHBondContact O-CG 3.4Å; K130-E134 WeakPolarHBondContact CE-OE1 3.4Å; K130-E134 VanDerWaalsContact CG-OE1 3.23Å; K130-E134 WeakPolarHBondContact CG-OE1 3.48Å; K130-N183 HydrophobicContact CD-CB 4.16Å; K130-C184 HydrophobicContact CB-CB 4.15Å; K130-S187 PolarHBondContact O-OG 2.97Å |
| 131 | F | 97.1 | Very high | 92.2 | Very high | 20 Ų | 20 | 24.4 Ų | 24.4 | 9% | 0.088 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -74.1 | -30.2 | -174.3 | -64.3 | -31.2 | 0 | 0 | 0 | 114.4 | C91 L92 A95 D127 I128 E134 E135 | C91-F131 HydrophobicContact CB-CD2 3.76Å; C91-F131 HydrophobicContact CB-CE2 3.76Å; L92-F131 HydrophobicContact CD2-CB 3.75Å; L92-F131 HydrophobicContact CD2-CD1 3.82Å; L92-F131 HydrophobicContact CD2-CD2 3.75Å; L92-F131 HydrophobicContact CD2-CE1 4.37Å; L92-F131 HydrophobicContact CD2-CE2 4.31Å; L92-F131 HydrophobicContact CD2-CG 3.5Å; L92-F131 VanDerWaalsContact CD2-CG 3.5Å; L92-F131 HydrophobicContact CG-CD2 3.75Å; L92-F131 HydrophobicContact CG-CE2 4.01Å; L92-F131 HydrophobicContact CG-CG 4.05Å; A95-F131 HydrophobicContact CB-CB 3.93Å; D127-F131 HydrophobicContact CB-CE2 3.99Å; D127-F131 HydrophobicContact CB-CZ 4.33Å; D127-F131 WeakPolarHBondContact O-CD2 3.3Å; D127-F131 WeakPolarHBondContact O-CG 3.25Å; D127-F131 PolarHBondContact O-N 3.22Å; I128-F131 PolarHBondContact O-N 2.94Å; I128-F131 VanDerWaalsContact O-N 3.12Å; F131-E134 PolarHBondContact O-N 2.99Å; F131-E135 PolarHBondContact O-N 3.07Å |
| 132 | I | 96.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -52.5 | -54.3 | 178 | -75.4 | 167.1 | 0 | 0 | 0 | 112.8 | A95 F98 I108 I111 I128 M136 F155 | A95-I132 HydrophobicContact CB-CG1 3.9Å; F98-I132 HydrophobicContact CD1-CD1 4.36Å; F98-I132 HydrophobicContact CD1-CG1 4.26Å; F98-I132 HydrophobicContact CD1-CG2 3.84Å; F98-I132 HydrophobicContact CE1-CG2 3.87Å; I108-I132 HydrophobicContact CG1-CD1 4.47Å; I111-I132 HydrophobicContact CD1-CD1 4.03Å; I128-I132 HydrophobicContact CG2-CD1 3.89Å; I128-I132 HydrophobicContact CG2-CG1 4.25Å; I128-I132 WeakPolarHBondContact O-CG1 3.31Å; I128-I132 PolarHBondContact O-N 3.21Å; I132-M136 PolarHBondContact O-N 2.95Å; I132-F155 HydrophobicContact CG2-CE1 3.52Å; I132-F155 HydrophobicContact CG2-CE2 4.3Å; I132-F155 HydrophobicContact CG2-CZ 3.27Å |
| 133 | P | 95.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.6 | -35.8 | 178.8 | 28.8 | -38.6 | 0 | 0 | 0 | 112.8 | L129 K130 M136 S187 W188 N191 T192 | L129-P133 WeakPolarHBondContact O-CD 3.2Å; K130-P133 VanDerWaalsContact O-CD 3.24Å; K130-P133 WeakPolarHBondContact O-CD 3.32Å; K130-P133 VanDerWaalsContact O-CG 3.26Å; K130-P133 WeakPolarHBondContact O-CG 3.4Å; P133-M136 PolarHBondContact O-N 3Å; P133-S187 WeakPolarHBondContact CG-OG 3.06Å; P133-W188 HydrophobicContact CG-CG 4.37Å; P133-N191 HydrophobicContact CB-CB 4.04Å; P133-N191 VanDerWaalsContact O-CB 3.26Å; P133-N191 WeakPolarHBondContact O-CB 3.27Å; P133-T192 HydrophobicContact CB-CG2 3.46Å; P133-T192 VanDerWaalsContact CB-CG2 3.46Å; P133-T192 HydrophobicContact CG-CG2 4.46Å |
| 134 | E | 94.9 | Very high | 91.6 | Very high | 59 Ų | 59 | 30.7 Ų | 30.7 | 28% | 0.276 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -60.2 | -47 | 174.8 | -74.4 | 163.8 | -154.7 | 0 | 0 | 112.1 | K130 F131 M136 N137 S138 S187 | K130-E134 WeakPolarHBondContact CE-OE1 3.4Å; K130-E134 VanDerWaalsContact CG-OE1 3.23Å; K130-E134 WeakPolarHBondContact CG-OE1 3.48Å; F131-E134 PolarHBondContact O-N 2.99Å; E134-M136 VanDerWaalsContact C-N 3.34Å; E134-M136 PolarHBondContact O-N 3.11Å; E134-N137 PolarHBondContact O-N 2.91Å; E134-S138 PolarHBondContact O-N 3.43Å; E134-S187 WeakPolarHBondContact CG-OG 3.49Å; E134-S187 WeakPolarHBondContact OE1-CB 3.48Å; E134-S187 PolarHBondContact OE1-OG 2.81Å |
| 135 | E | 94 | Very high | 91.4 | Very high | 17 Ų | 17 | 32.2 Ų | 32.2 | 8% | 0.079 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -74.2 | -22.4 | -176.8 | -69.1 | -62.5 | 163.3 | 0 | 0 | 113.4 | R49 L92 A95 D96 F131 N137 S138 L141 | R49-E135 IonicContact CZ-OE1 3.01Å; R49-E135 IonicContact NH2-OE1 2.67Å; R49-E135 PolarHBondContact NH2-OE1 3.15Å; R49-E135 IonicContact NH2-OE2 3.38Å; L92-E135 HydrophobicContact CD2-CG 4.06Å; L92-E135 WeakPolarHBondContact CD2-OE1 3.46Å; A95-E135 HydrophobicContact CB-CG 4.36Å; D96-E135 VanDerWaalsContact OD1-CD 3.29Å; D96-E135 VanDerWaalsContact OD1-CG 3.25Å; D96-E135 WeakPolarHBondContact OD1-CG 3.28Å; F131-E135 PolarHBondContact O-N 3.07Å; E135-N137 PolarHBondContact O-N 2.81Å; E135-S138 VanDerWaalsContact O-CB 3.27Å; E135-S138 WeakPolarHBondContact O-CB 3.43Å; E135-S138 PolarHBondContact O-N 2.95Å; E135-S138 VanDerWaalsContact O-N 3.17Å; E135-S138 WeakPolarHBondContact OE2-CB 3.43Å; E135-S138 PolarHBondContact OE2-OG 3.3Å; E135-L141 WeakPolarHBondContact O-CD2 3.32Å |
| 136 | M | 93 | Very high | 91.3 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.4 | -35.4 | 173.8 | -178.2 | -177.6 | 66.8 | 0 | 0 | 112.3 | I132 P133 E134 R148 L151 M152 F155 N191 | I132-M136 PolarHBondContact O-N 2.95Å; P133-M136 PolarHBondContact O-N 3Å; E134-M136 VanDerWaalsContact C-N 3.34Å; E134-M136 PolarHBondContact O-N 3.11Å; M136-R148 HydrophobicContact CG-CG 4.3Å; M136-R148 PolarHBondContact O-NE 3.14Å; M136-L151 HydrophobicContact CG-CD1 4.01Å; M136-L151 HydrophobicContact SD-CB 3.88Å; M136-L151 HydrophobicContact SD-CD1 4.43Å; M136-M152 HydrophobicContact CE-CG 4.01Å; M136-M152 HydrophobicContact SD-CG 3.91Å; M136-F155 HydrophobicContact CE-CE2 4.22Å; M136-F155 HydrophobicContact SD-CD2 4.18Å; M136-F155 HydrophobicContact SD-CE2 3.57Å; M136-F155 VanDerWaalsContact SD-CE2 3.57Å; M136-N191 VanDerWaalsContact CE-O 3.26Å; M136-N191 WeakPolarHBondContact CE-O 3.45Å |
| 137 | N | 88 | Confident | 91.1 | Very high | 75 Ų | 75 | 34.1 Ų | 34.1 | 40% | 0.401 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 4.2 | -179.7 | -63.9 | -29.3 | 0 | 0 | 0 | 113.2 | E134 E135 S139 N191 | E134-N137 PolarHBondContact O-N 2.91Å; E135-N137 PolarHBondContact O-N 2.81Å; N137-S139 PolarHBondContact O-N 2.98Å; N137-N191 WeakPolarHBondContact ND2-CA 3.34Å; N137-N191 PolarHBondContact ND2-O 2.91Å |
| 138 | S | 87.2 | Confident | 91 | Very high | 22 Ų | 22 | 35.4 Ų | 35.4 | 15% | 0.154 | 18% | 0.179 | C | C | . | . | trans | -66.1 | 124.3 | -179.7 | 179.7 | 0 | 0 | 0 | 0 | 111.3 | E134 E135 T140 L141 | E134-S138 PolarHBondContact O-N 3.43Å; E135-S138 VanDerWaalsContact O-CB 3.27Å; E135-S138 WeakPolarHBondContact O-CB 3.43Å; E135-S138 PolarHBondContact O-N 2.95Å; E135-S138 VanDerWaalsContact O-N 3.17Å; E135-S138 WeakPolarHBondContact OE2-CB 3.43Å; E135-S138 PolarHBondContact OE2-OG 3.3Å; S138-T140 PolarHBondContact O-N 3.47Å; S138-T140 PolarHBondContact OG-N 3.03Å; S138-T140 PolarHBondContact OG-OG1 3.37Å; S138-L141 PolarHBondContact O-N 3.33Å | ||
| 139 | S | 83.2 | Confident | 90.8 | Very high | 100 Ų | 100 | 40.2 Ų | 40.2 | 70% | 0.699 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -19.3 | 174.8 | 61.8 | 0 | 0 | 0 | 0 | 112.6 | N137 R142 | N137-S139 PolarHBondContact O-N 2.98Å; S139-R142 VanDerWaalsContact O-CG 3.3Å; S139-R142 WeakPolarHBondContact O-CG 3.31Å |
| 140 | T | 83.1 | Confident | 90.6 | Very high | 73 Ų | 73 | 42.2 Ų | 42.2 | 45% | 0.448 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -30.2 | 177.7 | 67.4 | 0 | 0 | 0 | 0 | 112.8 | S138 | S138-T140 PolarHBondContact O-N 3.47Å; S138-T140 PolarHBondContact OG-N 3.03Å; S138-T140 PolarHBondContact OG-OG1 3.37Å |
| 141 | L | 84.7 | Confident | 90.4 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -21 | 179.6 | -157.8 | 70.5 | 0 | 0 | 0 | 112.6 | Q53 D96 C99 H100 E135 S138 L143 | Q53-L141 HydrophobicContact CG-CD1 4.01Å; D96-L141 HydrophobicContact CB-CD1 3.99Å; C99-L141 HydrophobicContact CB-CD2 3.49Å; C99-L141 VanDerWaalsContact CB-CD2 3.49Å; H100-L141 WeakPolarHBondContact CD2-CD1 3.49Å; H100-L141 PolarHBondContact CE1-O 2.97Å; H100-L141 WeakPolarHBondContact NE2-CD1 3.37Å; H100-L141 WeakPolarHBondContact NE2-CG 3.2Å; H100-L141 PolarHBondContact NE2-O 3.23Å; E135-L141 WeakPolarHBondContact O-CD2 3.32Å; S138-L141 PolarHBondContact O-N 3.33Å; L141-L143 VanDerWaalsContact C-N 3.26Å; L141-L143 HydrophobicContact CD2-CB 4.47Å; L141-L143 HydrophobicContact CD2-CD1 3.8Å; L141-L143 HydrophobicContact CG-CD1 4.27Å; L141-L143 PolarHBondContact O-N 2.91Å |
| 142 | R | 80.3 | Confident | 90.3 | Very high | 172 Ų | 172 | 41.4 Ų | 41.4 | 65% | 0.649 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.5 | 47 | 177.8 | -62.3 | -174.3 | 176.1 | -162.7 | -3 | 113.2 | S139 G144 R1120 | S139-R142 VanDerWaalsContact O-CG 3.3Å; S139-R142 WeakPolarHBondContact O-CG 3.31Å; R142-G144 PolarHBondContact O-N 3.36Å; R142-R1120 WeakPolarHBondContact CA-OXT 3.26Å |
| 143 | L | 86.3 | Confident | 90.1 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | trans | -83.7 | 106.3 | -172.6 | -160.1 | 108.3 | 0 | 0 | 0 | 110.1 | C99 L141 R147 R148 L151 R1120 | C99-L143 HydrophobicContact CB-CD1 4.16Å; L141-L143 VanDerWaalsContact C-N 3.26Å; L141-L143 HydrophobicContact CD2-CB 4.47Å; L141-L143 HydrophobicContact CD2-CD1 3.8Å; L141-L143 HydrophobicContact CG-CD1 4.27Å; L141-L143 PolarHBondContact O-N 2.91Å; L143-R147 HydrophobicContact CD1-CG 3.87Å; L143-R147 HydrophobicContact CD2-CB 3.83Å; L143-R147 HydrophobicContact CD2-CG 3.56Å; L143-R147 HydrophobicContact CG-CB 3.93Å; L143-R147 HydrophobicContact CG-CG 3.69Å; L143-R148 HydrophobicContact CD2-CB 4.33Å; L143-R148 HydrophobicContact CD2-CG 3.54Å; L143-R148 PolarHBondContact O-NE 3.08Å; L143-R148 PolarHBondContact O-NH1 3.06Å; L143-R148 PolarHBondContact O-NH2 3.08Å; L143-L151 HydrophobicContact CD2-CD1 3.67Å; L143-R1120 PolarHBondContact N-OXT 3.46Å | ||
| 144 | G | 88.4 | Confident | 90 | Very high | 6 Ų | 6 | 47.6 Ų | 47.6 | 6% | 0.062 | 26% | 0.255 | C | S | . | . | trans | -52.9 | 149.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | R142 N146 R147 R148 L1118 | R142-G144 PolarHBondContact O-N 3.36Å; G144-N146 VanDerWaalsContact C-N 3.27Å; G144-N146 PolarHBondContact O-N 3.03Å; G144-N146 VanDerWaalsContact O-N 3.11Å; G144-R147 WeakPolarHBondContact O-CB 3.38Å; G144-R147 PolarHBondContact O-N 3.34Å; G144-R148 PolarHBondContact O-N 3.42Å; G144-L1118 VanDerWaalsContact CA-O 3.31Å; G144-L1118 WeakPolarHBondContact CA-O 3.42Å | ||
| 145 | M | 91.1 | Very high | 90 | Very high | 51 Ų | 51 | 44.9 Ų | 44.9 | 25% | 0.251 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -51.4 | -38.4 | -174.2 | -174.6 | 172.8 | 77.3 | 0 | 0 | 114.4 | R147 R148 H149 R1117 L1118 | M145-R147 VanDerWaalsContact C-N 3.29Å; M145-R147 PolarHBondContact O-N 3.22Å; M145-R148 PolarHBondContact O-N 3.44Å; M145-H149 PolarHBondContact O-N 2.87Å; M145-R1117 HydrophobicContact CB-CB 4.43Å; M145-R1117 VanDerWaalsContact CB-O 3.28Å; M145-R1117 WeakPolarHBondContact CB-O 3.43Å; M145-R1117 PolarHBondContact N-O 3.27Å; M145-R1117 HydrophobicContact SD-CB 4.32Å; M145-L1118 HydrophobicContact CB-CD2 4.42Å; M145-L1118 HydrophobicContact CE-CD2 3.72Å |
| 146 | N | 93.1 | Very high | 90 | Very high | 36 Ų | 36 | 48.4 Ų | 48.4 | 19% | 0.193 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.7 | -38.3 | 176.5 | -75.3 | -22.6 | 0 | 0 | 0 | 112.4 | G144 A150 Q1086 Q1091 | G144-N146 VanDerWaalsContact C-N 3.27Å; G144-N146 PolarHBondContact O-N 3.03Å; G144-N146 VanDerWaalsContact O-N 3.11Å; N146-A150 PolarHBondContact O-N 2.97Å; N146-Q1086 PolarHBondContact ND2-O 2.83Å; N146-Q1091 PolarHBondContact ND2-OE1 3.34Å; N146-Q1091 PolarHBondContact OD1-NE2 3.5Å |
| 147 | R | 91.8 | Very high | 90 | Very high | 8 Ų | 8 | 51.4 Ų | 51.4 | 3% | 0.03 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -73.3 | -38.6 | 176.2 | -176.1 | 54.3 | -177.2 | 152.1 | -0.3 | 111.6 | F98 C99 M101 L143 G144 M145 A150 L151 L1084 | F98-R147 PolarHBondContact O-NH2 3.38Å; F98-R147 VanDerWaalsContact O-NH2 3.09Å; C99-R147 VanDerWaalsContact O-CZ 3.31Å; C99-R147 PolarHBondContact O-NE 3.37Å; C99-R147 PolarHBondContact O-NH2 2.79Å; M101-R147 PolarHBondContact O-NH2 2.88Å; L143-R147 HydrophobicContact CD1-CG 3.87Å; L143-R147 HydrophobicContact CD2-CB 3.83Å; L143-R147 HydrophobicContact CD2-CG 3.56Å; L143-R147 HydrophobicContact CG-CB 3.93Å; L143-R147 HydrophobicContact CG-CG 3.69Å; G144-R147 WeakPolarHBondContact O-CB 3.38Å; G144-R147 PolarHBondContact O-N 3.34Å; M145-R147 VanDerWaalsContact C-N 3.29Å; M145-R147 PolarHBondContact O-N 3.22Å; R147-A150 WeakPolarHBondContact O-CB 3.35Å; R147-A150 PolarHBondContact O-N 3.15Å; R147-L151 WeakPolarHBondContact O-CG 3.31Å; R147-L151 PolarHBondContact O-N 3.27Å; R147-L1084 HydrophobicContact CB-CD1 3.94Å; R147-L1084 HydrophobicContact CG-CD1 4.23Å |
| 148 | R | 92.6 | Very high | 90.2 | Very high | 46 Ų | 46 | 48.3 Ų | 48.3 | 17% | 0.174 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.6 | -48.9 | 174.9 | -66.7 | -168.8 | -171 | 97.9 | 3.1 | 110.8 | M136 L143 G144 M145 A150 L151 M152 R1120 | M136-R148 HydrophobicContact CG-CG 4.3Å; M136-R148 PolarHBondContact O-NE 3.14Å; L143-R148 HydrophobicContact CD2-CB 4.33Å; L143-R148 HydrophobicContact CD2-CG 3.54Å; L143-R148 PolarHBondContact O-NE 3.08Å; L143-R148 PolarHBondContact O-NH1 3.06Å; L143-R148 PolarHBondContact O-NH2 3.08Å; G144-R148 PolarHBondContact O-N 3.42Å; M145-R148 PolarHBondContact O-N 3.44Å; R148-A150 VanDerWaalsContact C-N 3.29Å; R148-A150 PolarHBondContact O-N 3.46Å; R148-L151 WeakPolarHBondContact O-CB 3.41Å; R148-L151 PolarHBondContact O-N 3.44Å; R148-M152 WeakPolarHBondContact O-CG 3.33Å; R148-M152 PolarHBondContact O-N 2.97Å; R148-R1120 PolarHBondContact NH1-O 2.9Å; R148-R1120 VanDerWaalsContact NH2-C 3.28Å; R148-R1120 PolarHBondContact NH2-O 3.02Å; R148-R1120 VanDerWaalsContact NH2-O 3.09Å; R148-R1120 PolarHBondContact NH2-OXT 2.97Å |
| 149 | H | 92.4 | Very high | 90.6 | Very high | 102 Ų | 102 | 48 Ų | 48 | 47% | 0.472 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.5 | -40.1 | 176.1 | -69.5 | 165.6 | 0 | 0 | 0 | 112.7 | M145 L151 M152 S153 | M145-H149 PolarHBondContact O-N 2.87Å; H149-L151 VanDerWaalsContact C-N 3.35Å; H149-L151 PolarHBondContact O-N 3.47Å; H149-M152 PolarHBondContact O-N 3.4Å; H149-S153 PolarHBondContact O-N 3.43Å |
| 150 | A | 92.8 | Very high | 91.1 | Very high | 42 Ų | 42 | 48.1 Ų | 48.1 | 35% | 0.347 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64 | -38.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | N146 R147 R148 Q154 | N146-A150 PolarHBondContact O-N 2.97Å; R147-A150 WeakPolarHBondContact O-CB 3.35Å; R147-A150 PolarHBondContact O-N 3.15Å; R148-A150 VanDerWaalsContact C-N 3.29Å; R148-A150 PolarHBondContact O-N 3.46Å; A150-Q154 WeakPolarHBondContact O-CG 3.49Å; A150-Q154 PolarHBondContact O-N 2.92Å |
| 151 | L | 93.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.2 | -45.6 | 174.5 | -71.7 | 172.4 | 0 | 0 | 0 | 111.9 | F98 C99 M136 L143 R147 R148 H149 S153 Q154 F155 | F98-L151 HydrophobicContact CD1-CD2 4.39Å; F98-L151 HydrophobicContact CE1-CD2 3.7Å; F98-L151 HydrophobicContact CZ-CD2 4.06Å; C99-L151 HydrophobicContact CB-CD1 3.99Å; M136-L151 HydrophobicContact CG-CD1 4.01Å; M136-L151 HydrophobicContact SD-CB 3.88Å; M136-L151 HydrophobicContact SD-CD1 4.43Å; L143-L151 HydrophobicContact CD2-CD1 3.67Å; R147-L151 WeakPolarHBondContact O-CG 3.31Å; R147-L151 PolarHBondContact O-N 3.27Å; R148-L151 WeakPolarHBondContact O-CB 3.41Å; R148-L151 PolarHBondContact O-N 3.44Å; H149-L151 VanDerWaalsContact C-N 3.35Å; H149-L151 PolarHBondContact O-N 3.47Å; L151-S153 VanDerWaalsContact C-N 3.25Å; L151-S153 PolarHBondContact O-N 3.16Å; L151-Q154 CarbonylContact O-C 3.03Å; L151-Q154 WeakPolarHBondContact O-CA 3.35Å; L151-Q154 WeakPolarHBondContact O-CB 3.44Å; L151-Q154 PolarHBondContact O-N 3.07Å; L151-F155 HydrophobicContact CB-CE2 4.27Å; L151-F155 HydrophobicContact CB-CZ 4.27Å; L151-F155 VanDerWaalsContact O-CG 3.28Å; L151-F155 WeakPolarHBondContact O-CG 3.16Å; L151-F155 PolarHBondContact O-N 3.37Å |
| 152 | M | 93.5 | Very high | 92.1 | Very high | 52 Ų | 52 | 48.2 Ų | 48.2 | 26% | 0.256 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -56.1 | -41 | 175.7 | -67.2 | 171.3 | 89.7 | 0 | 0 | 111.4 | M136 R148 H149 Q154 F155 E156 T192 I194 | M136-M152 HydrophobicContact CE-CG 4.01Å; M136-M152 HydrophobicContact SD-CG 3.91Å; R148-M152 WeakPolarHBondContact O-CG 3.33Å; R148-M152 PolarHBondContact O-N 2.97Å; H149-M152 PolarHBondContact O-N 3.4Å; M152-Q154 PolarHBondContact O-N 3.35Å; M152-F155 PolarHBondContact O-N 2.84Å; M152-E156 PolarHBondContact O-N 2.96Å; M152-T192 WeakPolarHBondContact CE-O 3.39Å; M152-I194 HydrophobicContact CB-CG2 4.12Å; M152-I194 HydrophobicContact CE-CG2 4.38Å |
| 153 | S | 93.3 | Very high | 92.8 | Very high | 87 Ų | 87 | 40.6 Ų | 40.6 | 61% | 0.608 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -64.3 | -36.8 | 174.5 | -179.9 | 0 | 0 | 0 | 0 | 113.1 | H149 L151 G157 | H149-S153 PolarHBondContact O-N 3.43Å; L151-S153 VanDerWaalsContact C-N 3.25Å; L151-S153 PolarHBondContact O-N 3.16Å; S153-G157 PolarHBondContact O-N 2.97Å |
| 154 | Q | 93.2 | Very high | 93.2 | Very high | 45 Ų | 45 | 45.6 Ų | 45.6 | 21% | 0.21 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.3 | -37.6 | 173.7 | -69.4 | 179.9 | 16.3 | 0 | 0 | 112 | K105 A150 L151 M152 G157 S158 | K105-Q154 PolarHBondContact O-OE1 2.95Å; A150-Q154 WeakPolarHBondContact O-CG 3.49Å; A150-Q154 PolarHBondContact O-N 2.92Å; L151-Q154 CarbonylContact O-C 3.03Å; L151-Q154 WeakPolarHBondContact O-CA 3.35Å; L151-Q154 WeakPolarHBondContact O-CB 3.44Å; L151-Q154 PolarHBondContact O-N 3.07Å; M152-Q154 PolarHBondContact O-N 3.35Å; Q154-G157 PolarHBondContact O-N 2.91Å; Q154-S158 PolarHBondContact O-N 3.34Å; Q154-S158 PolarHBondContact O-OG 3.44Å |
| 155 | F | 94.3 | Very high | 93.4 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 0% | 0.004 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.6 | -42.3 | 175.1 | -62.2 | -20.4 | 0 | 0 | 0 | 111.4 | F98 I108 I132 M136 L151 M152 G157 S158 K159 W188 T192 I194 | F98-F155 AromaticContact CE1-CE1 3.43Å; F98-F155 HydrophobicContact CE1-CE1 3.43Å; F98-F155 VanDerWaalsContact CE1-CE1 3.43Å; F98-F155 AromaticContact CE1-CZ 3.82Å; F98-F155 HydrophobicContact CE1-CZ 3.82Å; F98-F155 AromaticContact CZ-CE1 3.88Å; F98-F155 HydrophobicContact CZ-CE1 3.88Å; I108-F155 HydrophobicContact CD1-CD1 3.62Å; I108-F155 HydrophobicContact CD1-CE1 3.84Å; I132-F155 HydrophobicContact CG2-CE1 3.52Å; I132-F155 HydrophobicContact CG2-CE2 4.3Å; I132-F155 HydrophobicContact CG2-CZ 3.27Å; M136-F155 HydrophobicContact CE-CE2 4.22Å; M136-F155 HydrophobicContact SD-CD2 4.18Å; M136-F155 HydrophobicContact SD-CE2 3.57Å; M136-F155 VanDerWaalsContact SD-CE2 3.57Å; L151-F155 HydrophobicContact CB-CE2 4.27Å; L151-F155 HydrophobicContact CB-CZ 4.27Å; L151-F155 VanDerWaalsContact O-CG 3.28Å; L151-F155 WeakPolarHBondContact O-CG 3.16Å; L151-F155 PolarHBondContact O-N 3.37Å; M152-F155 PolarHBondContact O-N 2.84Å; F155-G157 VanDerWaalsContact C-N 3.25Å; F155-G157 PolarHBondContact O-N 3.48Å; F155-S158 WeakPolarHBondContact CA-OG 3.21Å; F155-S158 CarbonylContact O-C 3.59Å; F155-S158 PolarHBondContact O-N 2.91Å; F155-S158 PolarHBondContact O-OG 3.47Å; F155-K159 PolarHBondContact O-N 3.4Å; F155-W188 HydrophobicContact CB-CZ3 4.39Å; F155-T192 HydrophobicContact CD2-CG2 4.23Å; F155-I194 HydrophobicContact CB-CD1 3.44Å; F155-I194 VanDerWaalsContact CB-CD1 3.44Å |
| 156 | E | 93.9 | Very high | 93.6 | Very high | 91 Ų | 91 | 44.3 Ų | 44.3 | 43% | 0.425 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -59 | -39.2 | 176.3 | -174.7 | 61.1 | -163.2 | 0 | 0 | 111.5 | M152 S158 K159 I194 | M152-E156 PolarHBondContact O-N 2.96Å; E156-S158 VanDerWaalsContact C-N 3.25Å; E156-S158 PolarHBondContact O-N 3.27Å; E156-K159 VanDerWaalsContact OE1-CE 3.26Å; E156-K159 WeakPolarHBondContact OE1-CE 3.41Å; E156-K159 IonicContact OE1-NZ 3.41Å; E156-K159 PolarHBondContact OE1-NZ 2.85Å; E156-K159 WeakPolarHBondContact OE2-CD 3.28Å; E156-K159 WeakPolarHBondContact OE2-CE 3.26Å; E156-K159 IonicContact OE2-NZ 2.66Å; E156-K159 PolarHBondContact OE2-NZ 3.05Å; E156-I194 HydrophobicContact CB-CD1 4.31Å; E156-I194 VanDerWaalsContact N-CD1 3.31Å; E156-I194 WeakPolarHBondContact OE2-CB 3.05Å |
| 157 | G | 93.3 | Very high | 93.6 | Very high | 65 Ų | 65 | 44 Ų | 44 | 67% | 0.67 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -11.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | S153 Q154 F155 | S153-G157 PolarHBondContact O-N 2.97Å; Q154-G157 PolarHBondContact O-N 2.91Å; F155-G157 VanDerWaalsContact C-N 3.25Å; F155-G157 PolarHBondContact O-N 3.48Å |
| 158 | S | 93.2 | Very high | 93.6 | Very high | 9 Ų | 9 | 49.4 Ų | 49.4 | 6% | 0.063 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.9 | -8.5 | -175.2 | 54.9 | 0 | 0 | 0 | 0 | 114.8 | I108 Q154 F155 E156 Q160 F161 V162 | I108-S158 WeakPolarHBondContact CD1-OG 3.28Å; Q154-S158 PolarHBondContact O-N 3.34Å; Q154-S158 PolarHBondContact O-OG 3.44Å; F155-S158 WeakPolarHBondContact CA-OG 3.21Å; F155-S158 CarbonylContact O-C 3.59Å; F155-S158 PolarHBondContact O-N 2.91Å; F155-S158 PolarHBondContact O-OG 3.47Å; E156-S158 VanDerWaalsContact C-N 3.25Å; E156-S158 PolarHBondContact O-N 3.27Å; S158-Q160 VanDerWaalsContact C-N 3.33Å; S158-Q160 PolarHBondContact O-N 3.07Å; S158-F161 WeakPolarHBondContact O-CB 3.13Å; S158-F161 PolarHBondContact O-N 2.67Å; S158-F161 VanDerWaalsContact O-N 3.07Å; S158-V162 PolarHBondContact O-N 2.99Å; S158-V162 VanDerWaalsContact O-N 3.1Å |
| 159 | K | 94 | Very high | 93.5 | Very high | 16 Ų | 16 | 49.8 Ų | 49.8 | 7% | 0.07 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -56.9 | -42.7 | -175.7 | 70.1 | 179.1 | -178.5 | -178.5 | 0 | 113.2 | F155 E156 F161 V162 L163 W188 I194 M195 D199 | F155-K159 PolarHBondContact O-N 3.4Å; E156-K159 VanDerWaalsContact OE1-CE 3.26Å; E156-K159 WeakPolarHBondContact OE1-CE 3.41Å; E156-K159 IonicContact OE1-NZ 3.41Å; E156-K159 PolarHBondContact OE1-NZ 2.85Å; E156-K159 WeakPolarHBondContact OE2-CD 3.28Å; E156-K159 WeakPolarHBondContact OE2-CE 3.26Å; E156-K159 IonicContact OE2-NZ 2.66Å; E156-K159 PolarHBondContact OE2-NZ 3.05Å; K159-F161 VanDerWaalsContact C-N 3.3Å; K159-F161 PolarHBondContact O-N 3.38Å; K159-V162 PolarHBondContact O-N 3.37Å; K159-V162 VanDerWaalsContact O-N 3.14Å; K159-L163 WeakPolarHBondContact O-CG 3.26Å; K159-L163 PolarHBondContact O-N 3.38Å; K159-W188 HydrophobicContact CB-CZ3 4.02Å; K159-I194 HydrophobicContact CB-CD1 4.24Å; K159-I194 HydrophobicContact CD-CD1 4.2Å; K159-I194 PolarHBondContact NZ-O 3.26Å; K159-M195 HydrophobicContact CB-SD 4.32Å; K159-M195 HydrophobicContact CD-SD 4.37Å; K159-D199 WeakPolarHBondContact CE-OD2 3.24Å; K159-D199 IonicContact NZ-OD1 2.72Å; K159-D199 IonicContact NZ-OD2 3.81Å; K159-D199 PolarHBondContact NZ-OD2 2.95Å |
| 160 | Q | 94.3 | Very high | 93.5 | Very high | 102 Ų | 102 | 45.3 Ų | 45.3 | 48% | 0.477 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.7 | -39.4 | 179.1 | -176.5 | 59.2 | 26.8 | 0 | 0 | 111.7 | S158 V162 L163 E164 | S158-Q160 VanDerWaalsContact C-N 3.33Å; S158-Q160 PolarHBondContact O-N 3.07Å; Q160-V162 VanDerWaalsContact C-N 3.35Å; Q160-L163 PolarHBondContact O-N 2.96Å; Q160-E164 PolarHBondContact NE2-OE1 3.46Å; Q160-E164 WeakPolarHBondContact O-CB 3.32Å; Q160-E164 WeakPolarHBondContact O-CG 3.32Å; Q160-E164 PolarHBondContact O-N 3.3Å |
| 161 | F | 94.5 | Very high | 93.3 | Very high | 74 Ų | 74 | 50.6 Ų | 50.6 | 33% | 0.325 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.4 | -40.1 | 176.1 | 171.1 | -105.4 | 0 | 0 | 0 | 111.8 | I108 K109 V112 S158 K159 F165 | I108-F161 HydrophobicContact CG2-CD1 4.28Å; I108-F161 HydrophobicContact CG2-CE1 4.38Å; K109-F161 HydrophobicContact CG-CD1 4.35Å; K109-F161 HydrophobicContact CG-CE1 4.16Å; V112-F161 HydrophobicContact CB-CE1 3.93Å; V112-F161 HydrophobicContact CB-CZ 4Å; V112-F161 HydrophobicContact CG1-CE1 4.03Å; V112-F161 HydrophobicContact CG1-CZ 3.67Å; V112-F161 HydrophobicContact CG2-CE1 3.82Å; V112-F161 HydrophobicContact CG2-CZ 4.33Å; S158-F161 WeakPolarHBondContact O-CB 3.13Å; S158-F161 PolarHBondContact O-N 2.67Å; S158-F161 VanDerWaalsContact O-N 3.07Å; K159-F161 VanDerWaalsContact C-N 3.3Å; K159-F161 PolarHBondContact O-N 3.38Å; F161-F165 WeakPolarHBondContact O-CB 3.31Å; F161-F165 PolarHBondContact O-N 2.99Å |
| 162 | V | 94.8 | Very high | 92.8 | Very high | 3 Ų | 3 | 53.1 Ų | 53.1 | 2% | 0.018 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.3 | -44.7 | 175.9 | 176 | 0 | 0 | 0 | 0 | 111.2 | I108 L129 S158 K159 Q160 E164 F165 L166 W188 | I108-V162 HydrophobicContact CG2-CG2 3.8Å; L129-V162 HydrophobicContact CD1-CG1 4.42Å; L129-V162 HydrophobicContact CD2-CG2 4.37Å; S158-V162 PolarHBondContact O-N 2.99Å; S158-V162 VanDerWaalsContact O-N 3.1Å; K159-V162 PolarHBondContact O-N 3.37Å; K159-V162 VanDerWaalsContact O-N 3.14Å; Q160-V162 VanDerWaalsContact C-N 3.35Å; V162-E164 PolarHBondContact O-N 3.44Å; V162-F165 WeakPolarHBondContact O-CB 3.44Å; V162-F165 PolarHBondContact O-N 3.34Å; V162-L166 HydrophobicContact CG1-CD1 3.95Å; V162-L166 HydrophobicContact CG1-CG 4.26Å; V162-L166 VanDerWaalsContact O-CG 3.32Å; V162-L166 WeakPolarHBondContact O-CG 3.06Å; V162-L166 PolarHBondContact O-N 2.94Å; V162-W188 HydrophobicContact CB-CH2 4.09Å; V162-W188 HydrophobicContact CB-CZ2 4.07Å; V162-W188 HydrophobicContact CG1-CD2 4.44Å; V162-W188 HydrophobicContact CG1-CH2 4.26Å; V162-W188 HydrophobicContact CG1-CZ2 3.76Å; V162-W188 HydrophobicContact CG2-CH2 3.68Å; V162-W188 HydrophobicContact CG2-CZ2 3.71Å |
| 163 | L | 94.8 | Very high | 92.2 | Very high | 12 Ų | 12 | 58.2 Ų | 58.2 | 6% | 0.063 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.4 | -42.7 | 177.5 | -71.6 | 172.4 | 0 | 0 | 0 | 112.4 | K159 Q160 L166 S167 L185 W189 M195 D199 | K159-L163 WeakPolarHBondContact O-CG 3.26Å; K159-L163 PolarHBondContact O-N 3.38Å; Q160-L163 PolarHBondContact O-N 2.96Å; L163-L166 PolarHBondContact O-N 3.12Å; L163-S167 VanDerWaalsContact O-CB 3.25Å; L163-S167 WeakPolarHBondContact O-CB 3.36Å; L163-S167 PolarHBondContact O-N 3.32Å; L163-S167 PolarHBondContact O-OG 3.24Å; L163-L185 HydrophobicContact CD2-CD2 3.77Å; L163-W189 HydrophobicContact CD2-CH2 4.11Å; L163-W189 HydrophobicContact CD2-CZ3 4.07Å; L163-M195 HydrophobicContact CD1-CE 4.08Å; L163-M195 HydrophobicContact CD2-CE 3.92Å; L163-M195 HydrophobicContact CG-CE 4.24Å; L163-D199 HydrophobicContact CD1-CB 4.06Å |
| 164 | E | 93.7 | Very high | 92.1 | Very high | 109 Ų | 109 | 58.9 Ų | 58.9 | 51% | 0.509 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 175.4 | -76.8 | 173.8 | -168.1 | 0 | 0 | 111.8 | Q160 V162 H168 | Q160-E164 PolarHBondContact NE2-OE1 3.46Å; Q160-E164 WeakPolarHBondContact O-CB 3.32Å; Q160-E164 WeakPolarHBondContact O-CG 3.32Å; Q160-E164 PolarHBondContact O-N 3.3Å; V162-E164 PolarHBondContact O-N 3.44Å; E164-H168 WeakPolarHBondContact O-CB 3.28Å; E164-H168 PolarHBondContact O-N 3.27Å |
| 165 | F | 93.7 | Very high | 92 | Very high | 29 Ų | 29 | 60.4 Ų | 60.4 | 13% | 0.127 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.1 | -50.8 | 175.4 | 174.4 | -99.7 | 0 | 0 | 0 | 111.6 | V112 L125 I126 L129 F161 V162 S167 H168 R169 | V112-F165 HydrophobicContact CG1-CD2 4.43Å; L125-F165 HydrophobicContact CD2-CE1 4.14Å; L125-F165 HydrophobicContact CD2-CE2 4.06Å; L125-F165 HydrophobicContact CD2-CZ 3.53Å; L125-F165 HydrophobicContact CG-CE1 4.33Å; L125-F165 HydrophobicContact CG-CZ 4.16Å; I126-F165 HydrophobicContact CG1-CE1 4.1Å; L129-F165 HydrophobicContact CD1-CD1 3.9Å; L129-F165 HydrophobicContact CD1-CE1 3.95Å; F161-F165 WeakPolarHBondContact O-CB 3.31Å; F161-F165 PolarHBondContact O-N 2.99Å; V162-F165 WeakPolarHBondContact O-CB 3.44Å; V162-F165 PolarHBondContact O-N 3.34Å; F165-S167 PolarHBondContact O-N 3.28Å; F165-H168 WeakPolarHBondContact O-CB 3.33Å; F165-H168 PolarHBondContact O-N 2.95Å; F165-R169 HydrophobicContact CE1-CG 4.09Å; F165-R169 HydrophobicContact CE2-CG 4.23Å; F165-R169 HydrophobicContact CZ-CG 3.93Å; F165-R169 WeakPolarHBondContact O-CG 3.41Å; F165-R169 PolarHBondContact O-N 3.33Å |
| 166 | L | 94 | Very high | 92 | Very high | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 179.3 | -67.9 | 177.1 | 0 | 0 | 0 | 112 | I126 V162 L163 H168 R169 A170 V181 C184 L185 | I126-L166 HydrophobicContact CG2-CD2 4.16Å; V162-L166 HydrophobicContact CG1-CD1 3.95Å; V162-L166 HydrophobicContact CG1-CG 4.26Å; V162-L166 VanDerWaalsContact O-CG 3.32Å; V162-L166 WeakPolarHBondContact O-CG 3.06Å; V162-L166 PolarHBondContact O-N 2.94Å; L163-L166 PolarHBondContact O-N 3.12Å; L166-H168 VanDerWaalsContact C-N 3.29Å; L166-H168 PolarHBondContact O-N 3.48Å; L166-R169 PolarHBondContact O-N 3.35Å; L166-A170 PolarHBondContact O-N 3.08Å; L166-V181 HydrophobicContact CB-CG1 4.19Å; L166-V181 HydrophobicContact CD2-CG2 4.32Å; L166-C184 HydrophobicContact CD1-CB 4.26Å; L166-C184 HydrophobicContact CD2-CB 4.23Å; L166-L185 HydrophobicContact CD1-CD2 3.75Å; L166-L185 HydrophobicContact CD1-CG 4.07Å |
| 167 | S | 93 | Very high | 91.9 | Very high | 29 Ų | 29 | 61.7 Ų | 61.7 | 20% | 0.203 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62 | -36.9 | 176.1 | -60.7 | 0 | 0 | 0 | 0 | 112 | L163 F165 | L163-S167 VanDerWaalsContact O-CB 3.25Å; L163-S167 WeakPolarHBondContact O-CB 3.36Å; L163-S167 PolarHBondContact O-N 3.32Å; L163-S167 PolarHBondContact O-OG 3.24Å; F165-S167 PolarHBondContact O-N 3.28Å |
| 168 | H | 92.2 | Very high | 92 | Very high | 123 Ų | 123 | 59 Ų | 59 | 57% | 0.569 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -66.4 | -42.9 | 174.2 | -178.6 | 79.5 | 0 | 0 | 0 | 111.9 | E164 F165 L166 A170 K171 | E164-H168 WeakPolarHBondContact O-CB 3.28Å; E164-H168 PolarHBondContact O-N 3.27Å; F165-H168 WeakPolarHBondContact O-CB 3.33Å; F165-H168 PolarHBondContact O-N 2.95Å; L166-H168 VanDerWaalsContact C-N 3.29Å; L166-H168 PolarHBondContact O-N 3.48Å; H168-A170 VanDerWaalsContact C-N 3.34Å; H168-A170 PolarHBondContact O-N 3.44Å; H168-K171 WeakPolarHBondContact O-CB 3.44Å; H168-K171 PolarHBondContact O-N 2.95Å |
| 169 | R | 91.6 | Very high | 92.2 | Very high | 53 Ų | 53 | 59 Ų | 59 | 20% | 0.2 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.8 | -36.4 | 178.4 | -65.8 | -56.1 | -61.3 | 174 | -1.5 | 112.7 | I126 F165 L166 K171 S172 I177 V181 | I126-R169 HydrophobicContact CD1-CG 4.41Å; F165-R169 HydrophobicContact CE1-CG 4.09Å; F165-R169 HydrophobicContact CE2-CG 4.23Å; F165-R169 HydrophobicContact CZ-CG 3.93Å; F165-R169 WeakPolarHBondContact O-CG 3.41Å; F165-R169 PolarHBondContact O-N 3.33Å; L166-R169 PolarHBondContact O-N 3.35Å; R169-K171 PolarHBondContact O-N 3.11Å; R169-S172 PolarHBondContact O-N 3.01Å; R169-S172 PolarHBondContact O-OG 3.15Å; R169-I177 HydrophobicContact CB-CG2 4.18Å; R169-V181 HydrophobicContact CB-CG2 4.3Å |
| 170 | A | 91.9 | Very high | 92.2 | Very high | 9 Ų | 9 | 60.2 Ų | 60.2 | 7% | 0.074 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.9 | -23.8 | 179 | 0 | 0 | 0 | 0 | 0 | 114.4 | L166 H168 S172 E173 L178 V181 L205 | L166-A170 PolarHBondContact O-N 3.08Å; H168-A170 VanDerWaalsContact C-N 3.34Å; H168-A170 PolarHBondContact O-N 3.44Å; A170-S172 PolarHBondContact O-N 2.96Å; A170-S172 VanDerWaalsContact O-N 3.1Å; A170-E173 PolarHBondContact O-N 2.98Å; A170-E173 VanDerWaalsContact O-N 3.14Å; A170-L178 HydrophobicContact CB-CD2 3.77Å; A170-V181 HydrophobicContact CB-CG1 4.5Å; A170-L205 HydrophobicContact CB-CD2 3.35Å; A170-L205 HydrophobicContact CB-CG 4.47Å |
| 171 | K | 88.8 | Confident | 92.3 | Very high | 153 Ų | 153 | 55.3 Ų | 55.3 | 67% | 0.665 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -15.7 | 177.4 | -66.4 | -179.3 | 180 | -177.7 | 0 | 114.6 | H168 R169 E173 | H168-K171 WeakPolarHBondContact O-CB 3.44Å; H168-K171 PolarHBondContact O-N 2.95Å; R169-K171 PolarHBondContact O-N 3.11Å; K171-E173 PolarHBondContact O-N 3.46Å |
| 172 | S | 83 | Confident | 92.5 | Very high | 52 Ų | 52 | 51.8 Ų | 51.8 | 36% | 0.364 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -17.9 | 174.4 | 59.6 | 0 | 0 | 0 | 0 | 113.6 | R169 A170 Q174 I177 | R169-S172 PolarHBondContact O-N 3.01Å; R169-S172 PolarHBondContact O-OG 3.15Å; A170-S172 PolarHBondContact O-N 2.96Å; A170-S172 VanDerWaalsContact O-N 3.1Å; S172-Q174 PolarHBondContact O-N 3.41Å; S172-I177 WeakPolarHBondContact OG-CD1 3.3Å |
| 173 | E | 80.4 | Confident | 92.6 | Very high | 159 Ų | 159 | 53.8 Ų | 53.8 | 74% | 0.743 | 27% | 0.267 | S | S | * | . | trans | 55.2 | 11.1 | -175.9 | -61.4 | -176 | 175.8 | 0 | 0 | 114.6 | A170 K171 M175 | A170-E173 PolarHBondContact O-N 2.98Å; A170-E173 VanDerWaalsContact O-N 3.14Å; K171-E173 PolarHBondContact O-N 3.46Å; E173-M175 PolarHBondContact O-N 3.21Å | ||
| 174 | Q | 90.9 | Very high | 92.7 | Very high | 101 Ų | 101 | 53.2 Ų | 53.2 | 47% | 0.472 | 26% | 0.264 | S | S | . | . | trans | -74.7 | 119.4 | 174.1 | -64.8 | -177.3 | 16.2 | 0 | 0 | 109.5 | S172 V176 I177 L178 | S172-Q174 PolarHBondContact O-N 3.41Å; Q174-V176 PolarHBondContact O-N 2.95Å; Q174-V176 VanDerWaalsContact O-N 3.12Å; Q174-I177 HydrophobicContact CB-CB 4.27Å; Q174-I177 HydrophobicContact CB-CD1 4.06Å; Q174-I177 HydrophobicContact CB-CG1 4.09Å; Q174-I177 HydrophobicContact CG-CD1 4.39Å; Q174-I177 PolarHBondContact O-N 2.9Å; Q174-L178 PolarHBondContact O-N 2.71Å | ||
| 175 | M | 92.6 | Very high | 92.9 | Very high | 77 Ų | 77 | 48 Ų | 48 | 38% | 0.379 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -54.5 | -34.9 | -177.3 | -66.6 | -64.2 | 171.1 | 0 | 0 | 113.5 | E173 L178 A179 P220 T223 | E173-M175 PolarHBondContact O-N 3.21Å; M175-L178 PolarHBondContact O-N 2.98Å; M175-L178 HydrophobicContact SD-CD1 4.23Å; M175-A179 WeakPolarHBondContact O-CB 3.21Å; M175-A179 PolarHBondContact O-N 3.36Å; M175-P220 HydrophobicContact CB-CG 3.97Å; M175-P220 HydrophobicContact CG-CG 4.13Å; M175-T223 HydrophobicContact CB-CG2 4.48Å; M175-T223 PolarHBondContact O-OG1 3.38Å; M175-T223 HydrophobicContact SD-CG2 3.97Å |
| 176 | V | 92.7 | Very high | 93 | Very high | 101 Ų | 101 | 47 Ų | 47 | 61% | 0.612 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -66.1 | -40.5 | 176.5 | -179.1 | 0 | 0 | 0 | 0 | 111.6 | Q174 K180 | Q174-V176 PolarHBondContact O-N 2.95Å; Q174-V176 VanDerWaalsContact O-N 3.12Å; V176-K180 PolarHBondContact O-N 3.15Å |
| 177 | I | 93.1 | Very high | 93.1 | Very high | 19 Ų | 19 | 47 Ų | 47 | 10% | 0.097 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -71.2 | -41.5 | 177.3 | -63.1 | 177.6 | 0 | 0 | 0 | 109.9 | R169 S172 Q174 A179 K180 V181 | R169-I177 HydrophobicContact CB-CG2 4.18Å; S172-I177 WeakPolarHBondContact OG-CD1 3.3Å; Q174-I177 HydrophobicContact CB-CB 4.27Å; Q174-I177 HydrophobicContact CB-CD1 4.06Å; Q174-I177 HydrophobicContact CB-CG1 4.09Å; Q174-I177 HydrophobicContact CG-CD1 4.39Å; Q174-I177 PolarHBondContact O-N 2.9Å; I177-A179 VanDerWaalsContact C-N 3.32Å; I177-A179 PolarHBondContact O-N 2.96Å; I177-K180 PolarHBondContact O-N 2.83Å; I177-V181 HydrophobicContact CG2-CG2 4.27Å; I177-V181 WeakPolarHBondContact O-CG2 3.43Å; I177-V181 PolarHBondContact O-N 3.27Å |
| 178 | L | 95.2 | Very high | 93.3 | Very high | 9 Ų | 9 | 45.9 Ų | 45.9 | 5% | 0.047 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.8 | -43.3 | 175 | -70.9 | 175.7 | 0 | 0 | 0 | 111.8 | A170 Q174 M175 K180 V181 Y182 T208 T223 | A170-L178 HydrophobicContact CB-CD2 3.77Å; Q174-L178 PolarHBondContact O-N 2.71Å; M175-L178 PolarHBondContact O-N 2.98Å; M175-L178 HydrophobicContact SD-CD1 4.23Å; L178-K180 VanDerWaalsContact C-N 3.33Å; L178-K180 PolarHBondContact O-N 2.99Å; L178-V181 PolarHBondContact O-N 3.29Å; L178-Y182 HydrophobicContact CB-CD2 4.47Å; L178-Y182 HydrophobicContact CB-CE2 4.03Å; L178-Y182 WeakPolarHBondContact O-CD2 3.2Å; L178-Y182 PolarHBondContact O-N 3.22Å; L178-T208 HydrophobicContact CD1-CG2 4.38Å; L178-T223 HydrophobicContact CB-CG2 4.17Å |
| 179 | A | 96.2 | Very high | 93.4 | Very high | 7 Ų | 7 | 40.8 Ų | 40.8 | 6% | 0.058 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.3 | -43.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | M175 I177 N183 A226 | M175-A179 WeakPolarHBondContact O-CB 3.21Å; M175-A179 PolarHBondContact O-N 3.36Å; I177-A179 VanDerWaalsContact C-N 3.32Å; I177-A179 PolarHBondContact O-N 2.96Å; A179-N183 WeakPolarHBondContact O-CB 3.1Å; A179-N183 PolarHBondContact O-N 3.02Å; A179-N183 VanDerWaalsContact O-N 3.13Å; A179-N183 PolarHBondContact O-ND2 3.39Å; A179-A226 HydrophobicContact CB-CB 4.16Å; A179-A226 WeakPolarHBondContact O-CB 3.45Å |
| 180 | K | 95.2 | Very high | 93.5 | Very high | 42 Ų | 42 | 42 Ų | 42 | 18% | 0.183 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.1 | -41.7 | 175.1 | -71 | -166.1 | 168.7 | -149.6 | 0 | 112.6 | S123 I126 D127 V176 I177 L178 C184 | S123-K180 PolarHBondContact O-NZ 3.18Å; S123-K180 WeakPolarHBondContact OG-CE 3.5Å; S123-K180 PolarHBondContact OG-NZ 2.82Å; I126-K180 HydrophobicContact CB-CB 4.49Å; I126-K180 HydrophobicContact CD1-CB 4.44Å; I126-K180 HydrophobicContact CG2-CB 3.89Å; D127-K180 IonicContact OD1-NZ 3.4Å; D127-K180 PolarHBondContact OD1-NZ 3.33Å; D127-K180 IonicContact OD2-NZ 2.65Å; D127-K180 PolarHBondContact OD2-NZ 3.1Å; V176-K180 PolarHBondContact O-N 3.15Å; I177-K180 PolarHBondContact O-N 2.83Å; L178-K180 VanDerWaalsContact C-N 3.33Å; L178-K180 PolarHBondContact O-N 2.99Å; K180-C184 WeakPolarHBondContact O-CB 3.15Å; K180-C184 PolarHBondContact O-N 3.49Å |
| 181 | V | 96.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.6 | -49.8 | 178.3 | 167.8 | 0 | 0 | 0 | 0 | 110.9 | I126 L166 R169 A170 I177 L178 N183 C184 L185 L205 | I126-V181 HydrophobicContact CD1-CG2 4.49Å; L166-V181 HydrophobicContact CB-CG1 4.19Å; L166-V181 HydrophobicContact CD2-CG2 4.32Å; R169-V181 HydrophobicContact CB-CG2 4.3Å; A170-V181 HydrophobicContact CB-CG1 4.5Å; I177-V181 HydrophobicContact CG2-CG2 4.27Å; I177-V181 WeakPolarHBondContact O-CG2 3.43Å; I177-V181 PolarHBondContact O-N 3.27Å; L178-V181 PolarHBondContact O-N 3.29Å; V181-N183 PolarHBondContact O-N 2.94Å; V181-C184 WeakPolarHBondContact O-CB 3.28Å; V181-C184 PolarHBondContact O-N 3.2Å; V181-L185 HydrophobicContact CG1-CD1 3.78Å; V181-L185 HydrophobicContact CG1-CG 4.36Å; V181-L185 WeakPolarHBondContact O-CG 3.13Å; V181-L185 PolarHBondContact O-N 2.95Å; V181-L205 HydrophobicContact CG1-CD2 4.23Å |
| 182 | Y | 97.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.1 | -39.1 | 180 | -61.9 | -46.2 | 0 | 0 | 0 | 112.8 | L178 C184 L185 A186 L205 T208 A209 I212 A226 A227 W230 | L178-Y182 HydrophobicContact CB-CD2 4.47Å; L178-Y182 HydrophobicContact CB-CE2 4.03Å; L178-Y182 WeakPolarHBondContact O-CD2 3.2Å; L178-Y182 PolarHBondContact O-N 3.22Å; Y182-C184 VanDerWaalsContact C-N 3.33Å; Y182-C184 PolarHBondContact O-N 3.25Å; Y182-L185 HydrophobicContact CD1-CD1 4.2Å; Y182-L185 PolarHBondContact O-N 2.63Å; Y182-A186 WeakPolarHBondContact O-CB 3.37Å; Y182-A186 PolarHBondContact O-N 2.98Å; Y182-L205 HydrophobicContact CE1-CD2 4.24Å; Y182-L205 PolarHBondContact OH-O 3.46Å; Y182-T208 WeakPolarHBondContact OH-CB 3.47Å; Y182-T208 WeakPolarHBondContact OH-CG2 3.29Å; Y182-A209 HydrophobicContact CE1-CB 4.08Å; Y182-A209 PolarHBondContact OH-N 3.42Å; Y182-I212 HydrophobicContact CE2-CD1 3.7Å; Y182-A226 WeakPolarHBondContact CB-O 3.25Å; Y182-A227 HydrophobicContact CD2-CB 4.03Å; Y182-A227 HydrophobicContact CE2-CB 4.15Å; Y182-W230 HydrophobicContact CD1-CD2 4.23Å; Y182-W230 AromaticContact CD1-CE3 3.43Å; Y182-W230 HydrophobicContact CD1-CE3 3.43Å; Y182-W230 VanDerWaalsContact CD1-CE3 3.43Å; Y182-W230 AromaticContact CD1-CZ3 3.9Å; Y182-W230 HydrophobicContact CD1-CZ3 3.9Å; Y182-W230 AromaticContact CE1-CE3 3.73Å; Y182-W230 HydrophobicContact CE1-CE3 3.73Å; Y182-W230 AromaticContact CE1-CZ3 3.75Å; Y182-W230 HydrophobicContact CE1-CZ3 3.75Å; Y182-W230 HydrophobicContact CG-CE3 4.45Å |
| 183 | N | 97.1 | Very high | 94 | Very high | 44 Ų | 44 | 36.7 Ų | 36.7 | 24% | 0.235 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.9 | -39.8 | 173.1 | -82.8 | -60.1 | 0 | 0 | 0 | 112.7 | K130 A179 V181 S187 A226 | K130-N183 HydrophobicContact CD-CB 4.16Å; A179-N183 WeakPolarHBondContact O-CB 3.1Å; A179-N183 PolarHBondContact O-N 3.02Å; A179-N183 VanDerWaalsContact O-N 3.13Å; A179-N183 PolarHBondContact O-ND2 3.39Å; V181-N183 PolarHBondContact O-N 2.94Å; N183-S187 WeakPolarHBondContact O-CB 3.33Å; N183-S187 PolarHBondContact O-N 3.4Å; N183-S187 VanDerWaalsContact O-N 3.14Å; N183-A226 WeakPolarHBondContact ND2-CB 3.39Å |
| 184 | C | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.4 | -43.7 | 174.3 | -171.6 | 0 | 0 | 0 | 0 | 111.1 | I126 K130 L166 K180 V181 Y182 S187 W188 | I126-C184 HydrophobicContact CG2-CB 3.9Å; K130-C184 HydrophobicContact CB-CB 4.15Å; L166-C184 HydrophobicContact CD1-CB 4.26Å; L166-C184 HydrophobicContact CD2-CB 4.23Å; K180-C184 WeakPolarHBondContact O-CB 3.15Å; K180-C184 PolarHBondContact O-N 3.49Å; V181-C184 WeakPolarHBondContact O-CB 3.28Å; V181-C184 PolarHBondContact O-N 3.2Å; Y182-C184 VanDerWaalsContact C-N 3.33Å; Y182-C184 PolarHBondContact O-N 3.25Å; C184-S187 PolarHBondContact O-N 2.61Å; C184-W188 PolarHBondContact O-N 3.4Å; C184-W188 VanDerWaalsContact O-N 3.1Å |
| 185 | L | 97.2 | Very high | 94.6 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.3 | -48.5 | 177.4 | -68.3 | 165.5 | 0 | 0 | 0 | 111.3 | L163 L166 V181 Y182 S187 W188 W189 L205 W230 | L163-L185 HydrophobicContact CD2-CD2 3.77Å; L166-L185 HydrophobicContact CD1-CD2 3.75Å; L166-L185 HydrophobicContact CD1-CG 4.07Å; V181-L185 HydrophobicContact CG1-CD1 3.78Å; V181-L185 HydrophobicContact CG1-CG 4.36Å; V181-L185 WeakPolarHBondContact O-CG 3.13Å; V181-L185 PolarHBondContact O-N 2.95Å; Y182-L185 HydrophobicContact CD1-CD1 4.2Å; Y182-L185 PolarHBondContact O-N 2.63Å; L185-S187 VanDerWaalsContact C-N 3.3Å; L185-S187 PolarHBondContact O-N 2.81Å; L185-W188 PolarHBondContact O-N 3.26Å; L185-W188 VanDerWaalsContact O-N 3.17Å; L185-W189 HydrophobicContact CB-CZ3 4.44Å; L185-W189 HydrophobicContact CD2-CZ3 3.82Å; L185-W189 VanDerWaalsContact O-CE3 3.29Å; L185-W189 PolarHBondContact O-N 3.09Å; L185-W189 VanDerWaalsContact O-N 3.1Å; L185-L205 HydrophobicContact CD1-CD1 4.08Å; L185-W230 HydrophobicContact CB-CD2 4.13Å; L185-W230 HydrophobicContact CB-CG 4.01Å; L185-W230 HydrophobicContact CD1-CD2 4.12Å; L185-W230 HydrophobicContact CD1-CE3 4.31Å; L185-W230 HydrophobicContact CD1-CH2 4.13Å; L185-W230 HydrophobicContact CD1-CZ2 3.94Å; L185-W230 HydrophobicContact CD1-CZ3 4.3Å |
| 186 | A | 97.2 | Very high | 94.5 | Very high | 6 Ų | 6 | 24.5 Ų | 24.5 | 5% | 0.05 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -52.6 | -49.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y182 W188 W189 D190 Q229 W230 A233 | Y182-A186 WeakPolarHBondContact O-CB 3.37Å; Y182-A186 PolarHBondContact O-N 2.98Å; A186-W188 VanDerWaalsContact C-N 3.34Å; A186-W188 PolarHBondContact O-N 2.86Å; A186-W189 PolarHBondContact O-N 3.45Å; A186-W189 VanDerWaalsContact O-N 3.12Å; A186-D190 PolarHBondContact O-N 3.33Å; A186-Q229 HydrophobicContact CB-CB 4.37Å; A186-W230 HydrophobicContact CB-CB 4.29Å; A186-A233 HydrophobicContact CB-CB 4.24Å |
| 187 | S | 96.3 | Very high | 94.2 | Very high | 3 Ų | 3 | 22 Ų | 22 | 2% | 0.021 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.3 | -39.4 | 179.4 | 175.2 | 0 | 0 | 0 | 0 | 114.1 | K130 P133 E134 N183 C184 L185 N191 | K130-S187 PolarHBondContact O-OG 2.97Å; P133-S187 WeakPolarHBondContact CG-OG 3.06Å; E134-S187 WeakPolarHBondContact CG-OG 3.49Å; E134-S187 WeakPolarHBondContact OE1-CB 3.48Å; E134-S187 PolarHBondContact OE1-OG 2.81Å; N183-S187 WeakPolarHBondContact O-CB 3.33Å; N183-S187 PolarHBondContact O-N 3.4Å; N183-S187 VanDerWaalsContact O-N 3.14Å; C184-S187 PolarHBondContact O-N 2.61Å; L185-S187 VanDerWaalsContact C-N 3.3Å; L185-S187 PolarHBondContact O-N 2.81Å; S187-N191 WeakPolarHBondContact O-CB 3.24Å; S187-N191 PolarHBondContact O-N 3.16Å; S187-N191 VanDerWaalsContact O-N 3.1Å; S187-N191 PolarHBondContact O-ND2 2.9Å |
| 188 | W | 96.5 | Very high | 94 | Very high | 4 Ų | 4 | 28.4 Ų | 28.4 | 2% | 0.015 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.7 | -42.1 | 175.4 | -84.7 | 63.4 | 0 | 0 | 0 | 112.1 | I108 L129 P133 F155 K159 V162 C184 L185 A186 T192 M195 | I108-W188 HydrophobicContact CD1-CH2 4.04Å; I108-W188 HydrophobicContact CD1-CZ2 4.36Å; L129-W188 PolarHBondContact O-NE1 2.69Å; P133-W188 HydrophobicContact CG-CG 4.37Å; F155-W188 HydrophobicContact CB-CZ3 4.39Å; K159-W188 HydrophobicContact CB-CZ3 4.02Å; V162-W188 HydrophobicContact CB-CH2 4.09Å; V162-W188 HydrophobicContact CB-CZ2 4.07Å; V162-W188 HydrophobicContact CG1-CD2 4.44Å; V162-W188 HydrophobicContact CG1-CH2 4.26Å; V162-W188 HydrophobicContact CG1-CZ2 3.76Å; V162-W188 HydrophobicContact CG2-CH2 3.68Å; V162-W188 HydrophobicContact CG2-CZ2 3.71Å; C184-W188 PolarHBondContact O-N 3.4Å; C184-W188 VanDerWaalsContact O-N 3.1Å; L185-W188 PolarHBondContact O-N 3.26Å; L185-W188 VanDerWaalsContact O-N 3.17Å; A186-W188 VanDerWaalsContact C-N 3.34Å; A186-W188 PolarHBondContact O-N 2.86Å; W188-T192 HydrophobicContact CB-CG2 4.42Å; W188-T192 HydrophobicContact CD2-CG2 4.23Å; W188-T192 HydrophobicContact CE3-CG2 4Å; W188-T192 HydrophobicContact CG-CG2 4.44Å; W188-T192 WeakPolarHBondContact O-CB 3.44Å; W188-T192 VanDerWaalsContact O-CG2 3.28Å; W188-T192 WeakPolarHBondContact O-CG2 3.35Å; W188-T192 PolarHBondContact O-N 3.16Å; W188-T192 PolarHBondContact O-OG1 3.13Å; W188-M195 HydrophobicContact CB-CG 4.35Å; W188-M195 HydrophobicContact CB-SD 4.49Å; W188-M195 HydrophobicContact CE3-SD 3.94Å |
| 189 | W | 94.7 | Very high | 93.8 | Very high | 16 Ų | 16 | 28.7 Ų | 28.7 | 6% | 0.061 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.2 | -40.6 | 177.6 | -98.6 | -98.5 | 0 | 0 | 0 | 112.7 | L163 L185 A186 M195 D199 V200 W230 A233 L234 Q237 | L163-W189 HydrophobicContact CD2-CH2 4.11Å; L163-W189 HydrophobicContact CD2-CZ3 4.07Å; L185-W189 HydrophobicContact CB-CZ3 4.44Å; L185-W189 HydrophobicContact CD2-CZ3 3.82Å; L185-W189 VanDerWaalsContact O-CE3 3.29Å; L185-W189 PolarHBondContact O-N 3.09Å; L185-W189 VanDerWaalsContact O-N 3.1Å; A186-W189 PolarHBondContact O-N 3.45Å; A186-W189 VanDerWaalsContact O-N 3.12Å; W189-M195 HydrophobicContact CD2-CB 3.83Å; W189-M195 HydrophobicContact CD2-CE 4.18Å; W189-M195 HydrophobicContact CD2-CG 3.98Å; W189-M195 HydrophobicContact CE3-CB 4.4Å; W189-M195 HydrophobicContact CE3-CE 3.6Å; W189-M195 HydrophobicContact CE3-CG 4.1Å; W189-M195 HydrophobicContact CG-CB 4Å; W189-M195 HydrophobicContact CG-CG 4.28Å; W189-M195 HydrophobicContact CH2-CE 3.34Å; W189-M195 HydrophobicContact CZ2-CB 4.23Å; W189-M195 HydrophobicContact CZ2-CE 3.89Å; W189-M195 HydrophobicContact CZ3-CE 3.17Å; W189-D199 HydrophobicContact CH2-CB 4.39Å; W189-D199 HydrophobicContact CZ2-CB 4.19Å; W189-V200 HydrophobicContact CH2-CG2 4.42Å; W189-V200 HydrophobicContact CZ2-CB 4.31Å; W189-V200 HydrophobicContact CZ2-CG2 3.53Å; W189-W230 AromaticContact CE3-NE1 3.93Å; W189-A233 HydrophobicContact CB-CB 3.96Å; W189-L234 HydrophobicContact CD2-CD2 4.14Å; W189-L234 HydrophobicContact CG-CD2 4.22Å; W189-L234 HydrophobicContact CZ2-CD2 4.22Å; W189-Q237 VanDerWaalsContact NE1-CD 3.25Å |
| 190 | D | 93.1 | Very high | 93.7 | Very high | 78 Ų | 78 | 29 Ų | 29 | 42% | 0.417 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -74.5 | -34.9 | -176 | -71.9 | -24.8 | 0 | 0 | 0 | 113.3 | A186 A233 | A186-D190 PolarHBondContact O-N 3.33Å; D190-A233 WeakPolarHBondContact OD1-CA 3.41Å; D190-A233 VanDerWaalsContact OD1-CB 3.26Å; D190-A233 WeakPolarHBondContact OD1-CB 3.22Å |
| 191 | N | 92.7 | Very high | 93.5 | Very high | 40 Ų | 40 | 28 Ų | 28 | 21% | 0.214 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -113 | -22.7 | -165.9 | -62.2 | -75.5 | 0 | 0 | 0 | 115.1 | P133 M136 N137 S187 | P133-N191 HydrophobicContact CB-CB 4.04Å; P133-N191 VanDerWaalsContact O-CB 3.26Å; P133-N191 WeakPolarHBondContact O-CB 3.27Å; M136-N191 VanDerWaalsContact CE-O 3.26Å; M136-N191 WeakPolarHBondContact CE-O 3.45Å; N137-N191 WeakPolarHBondContact ND2-CA 3.34Å; N137-N191 PolarHBondContact ND2-O 2.91Å; S187-N191 WeakPolarHBondContact O-CB 3.24Å; S187-N191 PolarHBondContact O-N 3.16Å; S187-N191 VanDerWaalsContact O-N 3.1Å; S187-N191 PolarHBondContact O-ND2 2.9Å |
| 192 | T | 92.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -83.8 | -28.9 | -172 | 66.5 | 0 | 0 | 0 | 0 | 114 | P133 M152 F155 W188 I194 | P133-T192 HydrophobicContact CB-CG2 3.46Å; P133-T192 VanDerWaalsContact CB-CG2 3.46Å; P133-T192 HydrophobicContact CG-CG2 4.46Å; M152-T192 WeakPolarHBondContact CE-O 3.39Å; F155-T192 HydrophobicContact CD2-CG2 4.23Å; W188-T192 HydrophobicContact CB-CG2 4.42Å; W188-T192 HydrophobicContact CD2-CG2 4.23Å; W188-T192 HydrophobicContact CE3-CG2 4Å; W188-T192 HydrophobicContact CG-CG2 4.44Å; W188-T192 WeakPolarHBondContact O-CB 3.44Å; W188-T192 VanDerWaalsContact O-CG2 3.28Å; W188-T192 WeakPolarHBondContact O-CG2 3.35Å; W188-T192 PolarHBondContact O-N 3.16Å; W188-T192 PolarHBondContact O-OG1 3.13Å; T192-I194 PolarHBondContact O-N 3.16Å; T192-I194 VanDerWaalsContact OG1-CG1 3.31Å; T192-I194 WeakPolarHBondContact OG1-CG1 3.46Å; T192-I194 PolarHBondContact OG1-N 2.68Å |
| 193 | G | 88.6 | Confident | 92.5 | Very high | 62 Ų | 62 | 37.4 Ų | 37.4 | 64% | 0.639 | 21% | 0.21 | S | C | * | . | S | Bend | trans | 65.9 | 7.6 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 194 | I | 92.1 | Very high | 92 | Very high | 22 Ų | 22 | 38.1 Ų | 38.1 | 11% | 0.113 | 22% | 0.216 | C | C | . | . | trans | -110.5 | -18.6 | -177.1 | 65.3 | 163.7 | 0 | 0 | 0 | 114.1 | M152 F155 E156 K159 T192 | M152-I194 HydrophobicContact CB-CG2 4.12Å; M152-I194 HydrophobicContact CE-CG2 4.38Å; F155-I194 HydrophobicContact CB-CD1 3.44Å; F155-I194 VanDerWaalsContact CB-CD1 3.44Å; E156-I194 HydrophobicContact CB-CD1 4.31Å; E156-I194 VanDerWaalsContact N-CD1 3.31Å; E156-I194 WeakPolarHBondContact OE2-CB 3.05Å; K159-I194 HydrophobicContact CB-CD1 4.24Å; K159-I194 HydrophobicContact CD-CD1 4.2Å; K159-I194 PolarHBondContact NZ-O 3.26Å; T192-I194 PolarHBondContact O-N 3.16Å; T192-I194 VanDerWaalsContact OG1-CG1 3.31Å; T192-I194 WeakPolarHBondContact OG1-CG1 3.46Å; T192-I194 PolarHBondContact OG1-N 2.68Å | ||
| 195 | M | 92.7 | Very high | 91.8 | Very high | 12 Ų | 12 | 38.2 Ų | 38.2 | 6% | 0.059 | 22% | 0.217 | C | C | . | . | trans | -67.7 | 145 | 178.9 | -54.6 | -56.5 | -81.7 | 0 | 0 | 108.9 | K159 L163 W188 W189 D199 Q237 | K159-M195 HydrophobicContact CB-SD 4.32Å; K159-M195 HydrophobicContact CD-SD 4.37Å; L163-M195 HydrophobicContact CD1-CE 4.08Å; L163-M195 HydrophobicContact CD2-CE 3.92Å; L163-M195 HydrophobicContact CG-CE 4.24Å; W188-M195 HydrophobicContact CB-CG 4.35Å; W188-M195 HydrophobicContact CB-SD 4.49Å; W188-M195 HydrophobicContact CE3-SD 3.94Å; W189-M195 HydrophobicContact CD2-CB 3.83Å; W189-M195 HydrophobicContact CD2-CE 4.18Å; W189-M195 HydrophobicContact CD2-CG 3.98Å; W189-M195 HydrophobicContact CE3-CB 4.4Å; W189-M195 HydrophobicContact CE3-CE 3.6Å; W189-M195 HydrophobicContact CE3-CG 4.1Å; W189-M195 HydrophobicContact CG-CB 4Å; W189-M195 HydrophobicContact CG-CG 4.28Å; W189-M195 HydrophobicContact CH2-CE 3.34Å; W189-M195 HydrophobicContact CZ2-CB 4.23Å; W189-M195 HydrophobicContact CZ2-CE 3.89Å; W189-M195 HydrophobicContact CZ3-CE 3.17Å; M195-D199 HydrophobicContact CE-CB 4.29Å; M195-Q237 PolarHBondContact O-NE2 2.93Å | ||
| 196 | V | 89.3 | Confident | 91.7 | Very high | 47 Ų | 47 | 38.1 Ų | 38.1 | 29% | 0.285 | 22% | 0.216 | S | C | . | . | trans | -136.2 | 167.1 | -178.9 | -77.2 | 0 | 0 | 0 | 0 | 110.9 | H198 D199 | V196-H198 WeakPolarHBondContact CG2-CE1 3.37Å; V196-H198 WeakPolarHBondContact CG2-ND1 3.33Å; V196-H198 VanDerWaalsContact CG2-NE2 3.28Å; V196-H198 WeakPolarHBondContact CG2-NE2 3.22Å; V196-H198 PolarHBondContact O-N 3.22Å; V196-H198 VanDerWaalsContact O-N 3.16Å; V196-D199 WeakPolarHBondContact CG2-OD2 3.4Å; V196-D199 PolarHBondContact N-OD2 3.37Å; V196-D199 VanDerWaalsContact N-OD2 3.11Å; V196-D199 WeakPolarHBondContact O-CB 3.38Å; V196-D199 PolarHBondContact O-N 3.46Å | ||
| 197 | E | 88 | Confident | 91.6 | Very high | 48 Ų | 48 | 40.9 Ų | 40.9 | 22% | 0.224 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -58.3 | -33.2 | -173 | -62.8 | -171.9 | 161.9 | 0 | 0 | 113.6 | D199 V200 L241 S246 L248 | E197-D199 VanDerWaalsContact C-N 3.26Å; E197-D199 PolarHBondContact O-N 2.88Å; E197-V200 WeakPolarHBondContact O-CB 3.29Å; E197-V200 WeakPolarHBondContact O-CG2 3.37Å; E197-V200 PolarHBondContact O-N 3.03Å; E197-L241 HydrophobicContact CG-CD1 3.51Å; E197-S246 WeakPolarHBondContact OE1-CB 3.48Å; E197-S246 PolarHBondContact OE1-OG 3.16Å; E197-S246 PolarHBondContact OE2-OG 3.36Å; E197-L248 HydrophobicContact CB-CB 4.22Å; E197-L248 HydrophobicContact CB-CD2 4.16Å; E197-L248 HydrophobicContact CG-CB 4.2Å; E197-L248 HydrophobicContact CG-CD2 3.96Å |
| 198 | H | 88.1 | Confident | 91.5 | Very high | 155 Ų | 155 | 43.1 Ų | 43.1 | 72% | 0.718 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -74.7 | -14.6 | 179 | 61.9 | -105.2 | 0 | 0 | 0 | 113.9 | V196 | V196-H198 WeakPolarHBondContact CG2-CE1 3.37Å; V196-H198 WeakPolarHBondContact CG2-ND1 3.33Å; V196-H198 VanDerWaalsContact CG2-NE2 3.28Å; V196-H198 WeakPolarHBondContact CG2-NE2 3.22Å; V196-H198 PolarHBondContact O-N 3.22Å; V196-H198 VanDerWaalsContact O-N 3.16Å |
| 199 | D | 92.2 | Very high | 91.5 | Very high | 15 Ų | 15 | 43 Ų | 43 | 8% | 0.08 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -79.1 | -10.7 | 175.5 | -66.4 | -34.1 | 0 | 0 | 0 | 111.6 | K159 L163 W189 M195 V196 E197 P201 | K159-D199 WeakPolarHBondContact CE-OD2 3.24Å; K159-D199 IonicContact NZ-OD1 2.72Å; K159-D199 IonicContact NZ-OD2 3.81Å; K159-D199 PolarHBondContact NZ-OD2 2.95Å; L163-D199 HydrophobicContact CD1-CB 4.06Å; W189-D199 HydrophobicContact CH2-CB 4.39Å; W189-D199 HydrophobicContact CZ2-CB 4.19Å; M195-D199 HydrophobicContact CE-CB 4.29Å; V196-D199 WeakPolarHBondContact CG2-OD2 3.4Å; V196-D199 PolarHBondContact N-OD2 3.37Å; V196-D199 VanDerWaalsContact N-OD2 3.11Å; V196-D199 WeakPolarHBondContact O-CB 3.38Å; V196-D199 PolarHBondContact O-N 3.46Å; E197-D199 VanDerWaalsContact C-N 3.26Å; E197-D199 PolarHBondContact O-N 2.88Å; D199-P201 WeakPolarHBondContact O-CD 3.31Å |
| 200 | V | 93.2 | Very high | 91.6 | Very high | 12 Ų | 12 | 42.2 Ų | 42.2 | 7% | 0.073 | 24% | 0.24 | C | C | . | . | trans | -70.8 | 118 | -175.8 | -179.1 | 0 | 0 | 0 | 0 | 110.8 | W189 E197 I202 L206 W230 L234 L248 | W189-V200 HydrophobicContact CH2-CG2 4.42Å; W189-V200 HydrophobicContact CZ2-CB 4.31Å; W189-V200 HydrophobicContact CZ2-CG2 3.53Å; E197-V200 WeakPolarHBondContact O-CB 3.29Å; E197-V200 WeakPolarHBondContact O-CG2 3.37Å; E197-V200 PolarHBondContact O-N 3.03Å; V200-I202 VanDerWaalsContact C-N 3.34Å; V200-I202 HydrophobicContact CG1-CG1 4.3Å; V200-I202 PolarHBondContact O-N 2.69Å; V200-L206 HydrophobicContact CG1-CD2 3.96Å; V200-W230 HydrophobicContact CG1-CZ2 4.3Å; V200-L234 HydrophobicContact CG1-CD1 4.25Å; V200-L234 HydrophobicContact CG1-CD2 4.39Å; V200-L234 HydrophobicContact CG2-CD2 3.69Å; V200-L248 HydrophobicContact CB-CD1 4.46Å; V200-L248 HydrophobicContact CG1-CD1 4.17Å; V200-L248 HydrophobicContact CG2-CD1 4.3Å; V200-L248 HydrophobicContact CG2-CD2 3.79Å | ||
| 201 | P | 91.5 | Very high | 91.7 | Very high | 21 Ų | 21 | 40.6 Ų | 40.6 | 14% | 0.136 | 24% | 0.238 | C | C | . | . | trans | -75 | 85.2 | 174.6 | 30.3 | -33.7 | 0 | 0 | 0 | 110.5 | D199 L205 L206 W230 | D199-P201 WeakPolarHBondContact O-CD 3.31Å; P201-L205 HydrophobicContact CB-CB 4.19Å; P201-L205 HydrophobicContact CB-CD1 3.81Å; P201-L205 HydrophobicContact CB-CG 4.39Å; P201-L205 HydrophobicContact CG-CB 3.97Å; P201-L205 HydrophobicContact CG-CD1 3.44Å; P201-L205 VanDerWaalsContact CG-CD1 3.44Å; P201-L205 HydrophobicContact CG-CG 4.26Å; P201-L205 WeakPolarHBondContact O-CB 3.39Å; P201-L206 PolarHBondContact O-N 2.88Å; P201-L206 VanDerWaalsContact O-N 3.09Å; P201-W230 HydrophobicContact CG-CH2 4.02Å; P201-W230 HydrophobicContact CG-CZ2 4.12Å | ||
| 202 | I | 86.8 | Confident | 91.9 | Very high | 72 Ų | 72 | 39.1 Ų | 39.1 | 37% | 0.369 | 23% | 0.23 | S | C | . | . | I | π-helix | trans | -61.1 | -51 | -178.4 | -61.6 | 177.1 | 0 | 0 | 0 | 110.7 | V200 L206 N207 W251 | V200-I202 VanDerWaalsContact C-N 3.34Å; V200-I202 HydrophobicContact CG1-CG1 4.3Å; V200-I202 PolarHBondContact O-N 2.69Å; I202-L206 HydrophobicContact CG1-CD2 4.48Å; I202-L206 PolarHBondContact O-N 3.48Å; I202-N207 PolarHBondContact O-N 3.29Å; I202-W251 HydrophobicContact CG2-CZ2 4.48Å |
| 203 | D | 86.2 | Confident | 92.1 | Very high | 127 Ų | 127 | 39 Ų | 39 | 68% | 0.679 | 23% | 0.23 | S | C | * | . | I | π-helix | trans | -113.3 | 124.5 | 177 | -165.8 | 53.3 | 0 | 0 | 0 | 110.4 | N207 | D203-N207 PolarHBondContact OD1-ND2 3.45Å; D203-N207 VanDerWaalsContact OD1-ND2 3.16Å |
| 204 | P | 85.1 | Confident | 92.5 | Very high | 58 Ų | 58 | 40 Ų | 40 | 38% | 0.377 | 21% | 0.214 | S | C | . | . | I | π-helix | cis | -89.5 | -14.5 | 1.6 | 34.3 | -34.2 | 0 | 0 | 0 | 114.8 | T208 | P204-T208 WeakPolarHBondContact O-CB 3.3Å; P204-T208 PolarHBondContact O-N 3.16Å; P204-T208 PolarHBondContact O-OG1 3.48Å |
| 205 | L | 93.4 | Very high | 92.7 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | I | π-helix | trans | -66.4 | -53.1 | -159.9 | -74.1 | 173.3 | 0 | 0 | 0 | 114.5 | A170 V181 Y182 L185 P201 T208 A209 W230 | A170-L205 HydrophobicContact CB-CD2 3.35Å; A170-L205 HydrophobicContact CB-CG 4.47Å; V181-L205 HydrophobicContact CG1-CD2 4.23Å; Y182-L205 HydrophobicContact CE1-CD2 4.24Å; Y182-L205 PolarHBondContact OH-O 3.46Å; L185-L205 HydrophobicContact CD1-CD1 4.08Å; P201-L205 HydrophobicContact CB-CB 4.19Å; P201-L205 HydrophobicContact CB-CD1 3.81Å; P201-L205 HydrophobicContact CB-CG 4.39Å; P201-L205 HydrophobicContact CG-CB 3.97Å; P201-L205 HydrophobicContact CG-CD1 3.44Å; P201-L205 VanDerWaalsContact CG-CD1 3.44Å; P201-L205 HydrophobicContact CG-CG 4.26Å; P201-L205 WeakPolarHBondContact O-CB 3.39Å; L205-T208 PolarHBondContact O-N 3.28Å; L205-A209 PolarHBondContact O-N 2.94Å; L205-W230 HydrophobicContact CB-CH2 3.86Å; L205-W230 HydrophobicContact CB-CZ3 4.01Å |
| 206 | L | 95.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | I | π-helix | trans | -67.6 | -38.6 | -178.5 | -170.1 | 58.7 | 0 | 0 | 0 | 111.6 | V200 P201 I202 T208 A209 F210 W230 V231 L234 L248 W251 L252 | V200-L206 HydrophobicContact CG1-CD2 3.96Å; P201-L206 PolarHBondContact O-N 2.88Å; P201-L206 VanDerWaalsContact O-N 3.09Å; I202-L206 HydrophobicContact CG1-CD2 4.48Å; I202-L206 PolarHBondContact O-N 3.48Å; L206-T208 VanDerWaalsContact C-N 3.33Å; L206-T208 PolarHBondContact O-N 2.9Å; L206-A209 WeakPolarHBondContact O-CB 3.47Å; L206-A209 PolarHBondContact O-N 3.29Å; L206-F210 HydrophobicContact CD1-CD2 4.1Å; L206-F210 HydrophobicContact CD1-CE2 3.94Å; L206-F210 HydrophobicContact CG-CD2 4.28Å; L206-F210 HydrophobicContact CG-CE2 4.35Å; L206-F210 PolarHBondContact O-N 3.49Å; L206-W230 HydrophobicContact CB-CH2 3.99Å; L206-W230 HydrophobicContact CB-CZ3 4.15Å; L206-W230 HydrophobicContact CD1-CE3 4.37Å; L206-W230 HydrophobicContact CD1-CH2 4.23Å; L206-W230 HydrophobicContact CD1-CZ3 4Å; L206-V231 HydrophobicContact CD1-CG2 4.49Å; L206-L234 HydrophobicContact CD1-CD1 3.62Å; L206-L234 HydrophobicContact CD2-CD1 4.25Å; L206-L248 HydrophobicContact CD2-CD1 4.16Å; L206-W251 HydrophobicContact CD1-CZ3 4.3Å; L206-W251 HydrophobicContact CD2-CE3 3.67Å; L206-W251 HydrophobicContact CD2-CH2 3.91Å; L206-W251 HydrophobicContact CD2-CZ3 3.33Å; L206-W251 HydrophobicContact CG-CE3 4.33Å; L206-W251 HydrophobicContact CG-CH2 3.71Å; L206-W251 HydrophobicContact CG-CZ3 3.48Å; L206-W251 VanDerWaalsContact CG-CZ3 3.48Å; L206-L252 HydrophobicContact CD2-CD2 4.42Å |
| 207 | N | 94.7 | Very high | 92.8 | Very high | 64 Ų | 64 | 44 Ų | 44 | 34% | 0.342 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -57.4 | -46 | 172.1 | -77.4 | -27.1 | 0 | 0 | 0 | 111.5 | I202 D203 F210 A211 W251 | I202-N207 PolarHBondContact O-N 3.29Å; D203-N207 PolarHBondContact OD1-ND2 3.45Å; D203-N207 VanDerWaalsContact OD1-ND2 3.16Å; N207-F210 PolarHBondContact O-N 3.13Å; N207-A211 WeakPolarHBondContact O-CB 3.14Å; N207-A211 PolarHBondContact O-N 3.03Å; N207-W251 WeakPolarHBondContact OD1-CZ2 3.4Å |
| 208 | T | 94.8 | Very high | 93 | Very high | 50 Ų | 50 | 46.9 Ų | 46.9 | 31% | 0.307 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.6 | -39.3 | 176.2 | -58.1 | 0 | 0 | 0 | 0 | 111.8 | L178 Y182 P204 L205 L206 F210 A211 I212 | L178-T208 HydrophobicContact CD1-CG2 4.38Å; Y182-T208 WeakPolarHBondContact OH-CB 3.47Å; Y182-T208 WeakPolarHBondContact OH-CG2 3.29Å; P204-T208 WeakPolarHBondContact O-CB 3.3Å; P204-T208 PolarHBondContact O-N 3.16Å; P204-T208 PolarHBondContact O-OG1 3.48Å; L205-T208 PolarHBondContact O-N 3.28Å; L206-T208 VanDerWaalsContact C-N 3.33Å; L206-T208 PolarHBondContact O-N 2.9Å; T208-F210 PolarHBondContact O-N 3.44Å; T208-A211 WeakPolarHBondContact O-CB 3.5Å; T208-A211 PolarHBondContact O-N 3.13Å; T208-I212 HydrophobicContact CG2-CD1 4.09Å; T208-I212 WeakPolarHBondContact O-CG1 3.32Å; T208-I212 PolarHBondContact O-N 3.41Å |
| 209 | A | 96.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.5 | -45.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y182 L205 L206 I212 L213 A227 W230 | Y182-A209 HydrophobicContact CE1-CB 4.08Å; Y182-A209 PolarHBondContact OH-N 3.42Å; L205-A209 PolarHBondContact O-N 2.94Å; L206-A209 WeakPolarHBondContact O-CB 3.47Å; L206-A209 PolarHBondContact O-N 3.29Å; A209-I212 WeakPolarHBondContact O-CB 3.36Å; A209-I212 PolarHBondContact O-N 2.9Å; A209-L213 WeakPolarHBondContact O-CG 3.25Å; A209-L213 PolarHBondContact O-N 3.44Å; A209-A227 HydrophobicContact CB-CB 4.14Å; A209-W230 HydrophobicContact CB-CE3 4.23Å; A209-W230 HydrophobicContact CB-CZ3 4.29Å |
| 210 | F | 97.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -71.8 | -27.4 | 175.1 | -84.8 | -89 | 0 | 0 | 0 | 113.5 | L206 N207 T208 I212 L213 R214 V231 W251 L252 N255 I256 L259 | L206-F210 HydrophobicContact CD1-CD2 4.1Å; L206-F210 HydrophobicContact CD1-CE2 3.94Å; L206-F210 HydrophobicContact CG-CD2 4.28Å; L206-F210 HydrophobicContact CG-CE2 4.35Å; L206-F210 PolarHBondContact O-N 3.49Å; N207-F210 PolarHBondContact O-N 3.13Å; T208-F210 PolarHBondContact O-N 3.44Å; F210-I212 VanDerWaalsContact C-N 3.33Å; F210-L213 HydrophobicContact CD1-CD1 4.48Å; F210-L213 PolarHBondContact O-N 3.31Å; F210-R214 WeakPolarHBondContact O-CB 3.45Å; F210-R214 VanDerWaalsContact O-CG 3.25Å; F210-R214 WeakPolarHBondContact O-CG 3.49Å; F210-R214 PolarHBondContact O-N 2.98Å; F210-R214 VanDerWaalsContact O-N 3.11Å; F210-V231 HydrophobicContact CD2-CG2 4.48Å; F210-V231 HydrophobicContact CE2-CG1 4.5Å; F210-V231 HydrophobicContact CE2-CG2 3.82Å; F210-V231 HydrophobicContact CZ-CG1 4.12Å; F210-V231 HydrophobicContact CZ-CG2 4.16Å; F210-W251 AromaticContact CD2-CH2 3.64Å; F210-W251 HydrophobicContact CD2-CH2 3.64Å; F210-W251 AromaticContact CD2-CZ3 3.6Å; F210-W251 HydrophobicContact CD2-CZ3 3.6Å; F210-W251 HydrophobicContact CE2-CH2 4.04Å; F210-W251 AromaticContact CE2-CZ3 3.49Å; F210-W251 HydrophobicContact CE2-CZ3 3.49Å; F210-W251 VanDerWaalsContact CE2-CZ3 3.49Å; F210-W251 HydrophobicContact CG-CH2 4.28Å; F210-W251 HydrophobicContact CG-CZ3 4.48Å; F210-W251 HydrophobicContact CZ-CZ3 4.27Å; F210-L252 HydrophobicContact CE2-CD2 3.87Å; F210-L252 HydrophobicContact CZ-CD2 4Å; F210-N255 HydrophobicContact CD1-CB 3.7Å; F210-N255 HydrophobicContact CE1-CB 3.56Å; F210-N255 HydrophobicContact CE2-CB 4.43Å; F210-N255 HydrophobicContact CG-CB 4.18Å; F210-N255 HydrophobicContact CZ-CB 3.95Å; F210-I256 HydrophobicContact CE1-CG1 3.93Å; F210-I256 HydrophobicContact CZ-CG1 3.92Å; F210-L259 HydrophobicContact CD1-CD1 4.36Å; F210-L259 HydrophobicContact CE1-CD1 4.05Å |
| 211 | A | 95.1 | Very high | 93.4 | Very high | 45 Ų | 45 | 47.1 Ų | 47.1 | 37% | 0.372 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.7 | -39.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | N207 T208 R214 N215 | N207-A211 WeakPolarHBondContact O-CB 3.14Å; N207-A211 PolarHBondContact O-N 3.03Å; T208-A211 WeakPolarHBondContact O-CB 3.5Å; T208-A211 PolarHBondContact O-N 3.13Å; A211-R214 PolarHBondContact O-N 2.9Å; A211-N215 PolarHBondContact O-N 2.87Å; A211-N215 PolarHBondContact O-ND2 3.32Å |
| 212 | I | 96.3 | Very high | 93.5 | Very high | 8 Ų | 8 | 49.4 Ų | 49.4 | 4% | 0.041 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.4 | -50.2 | 172.7 | -75.7 | 157.7 | 0 | 0 | 0 | 110.9 | Y182 T208 A209 F210 R214 N215 T219 T223 F224 A227 | Y182-I212 HydrophobicContact CE2-CD1 3.7Å; T208-I212 HydrophobicContact CG2-CD1 4.09Å; T208-I212 WeakPolarHBondContact O-CG1 3.32Å; T208-I212 PolarHBondContact O-N 3.41Å; A209-I212 WeakPolarHBondContact O-CB 3.36Å; A209-I212 PolarHBondContact O-N 2.9Å; F210-I212 VanDerWaalsContact C-N 3.33Å; I212-R214 PolarHBondContact O-N 3.36Å; I212-N215 CarbonylContact O-C 3.29Å; I212-N215 PolarHBondContact O-N 3.11Å; I212-T219 HydrophobicContact CB-CG2 4.36Å; I212-T219 HydrophobicContact CG1-CG2 4.36Å; I212-T219 HydrophobicContact CG2-CG2 3.42Å; I212-T219 VanDerWaalsContact CG2-CG2 3.42Å; I212-T223 HydrophobicContact CD1-CG2 3.82Å; I212-F224 HydrophobicContact CG2-CD2 4.17Å; I212-A227 HydrophobicContact CG2-CB 4.02Å |
| 213 | L | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.2 | -26.2 | -178.5 | -66.8 | 174.8 | 0 | 0 | 0 | 113.6 | A209 F210 F224 V231 L259 I296 | A209-L213 WeakPolarHBondContact O-CG 3.25Å; A209-L213 PolarHBondContact O-N 3.44Å; F210-L213 HydrophobicContact CD1-CD1 4.48Å; F210-L213 PolarHBondContact O-N 3.31Å; L213-F224 HydrophobicContact CD2-CD1 4.21Å; L213-F224 HydrophobicContact CD2-CD2 4.37Å; L213-F224 HydrophobicContact CD2-CE1 3.87Å; L213-F224 HydrophobicContact CD2-CE2 4.06Å; L213-F224 HydrophobicContact CD2-CG 4.46Å; L213-F224 HydrophobicContact CD2-CZ 3.79Å; L213-V231 HydrophobicContact CD1-CG2 4.07Å; L213-L259 HydrophobicContact CB-CD1 4.49Å; L213-L259 HydrophobicContact CB-CD2 4.11Å; L213-L259 HydrophobicContact CD1-CD1 4.38Å; L213-I296 HydrophobicContact CD1-CD1 3.86Å; L213-I296 HydrophobicContact CD2-CD1 4.43Å |
| 214 | R | 97.4 | Very high | 94.5 | Very high | 82 Ų | 82 | 40 Ų | 40 | 31% | 0.309 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -9.6 | 175 | -71.7 | 174.3 | -173.1 | 120.6 | 0.4 | 114.3 | F210 A211 I212 P216 N255 S258 L259 I262 | F210-R214 WeakPolarHBondContact O-CB 3.45Å; F210-R214 VanDerWaalsContact O-CG 3.25Å; F210-R214 WeakPolarHBondContact O-CG 3.49Å; F210-R214 PolarHBondContact O-N 2.98Å; F210-R214 VanDerWaalsContact O-N 3.11Å; A211-R214 PolarHBondContact O-N 2.9Å; I212-R214 PolarHBondContact O-N 3.36Å; R214-P216 WeakPolarHBondContact O-CD 3.39Å; R214-N255 PolarHBondContact NH2-OD1 3.27Å; R214-S258 PolarHBondContact NE-OG 2.71Å; R214-S258 PolarHBondContact NH2-OG 3.04Å; R214-L259 HydrophobicContact CG-CD2 3.84Å; R214-I262 HydrophobicContact CB-CD1 4.44Å |
| 215 | N | 95.7 | Very high | 95.1 | Very high | 83 Ų | 83 | 40.2 Ų | 40.2 | 44% | 0.444 | 23% | 0.232 | S | C | . | . | trans | -123.3 | 64.1 | -177.9 | -68.4 | -79.8 | 0 | 0 | 0 | 111.1 | A211 I212 S217 T218 T219 | A211-N215 PolarHBondContact O-N 2.87Å; A211-N215 PolarHBondContact O-ND2 3.32Å; I212-N215 CarbonylContact O-C 3.29Å; I212-N215 PolarHBondContact O-N 3.11Å; N215-S217 VanDerWaalsContact C-N 3.27Å; N215-S217 PolarHBondContact O-N 3.15Å; N215-T218 PolarHBondContact O-N 3Å; N215-T219 PolarHBondContact O-N 3.4Å; N215-T219 PolarHBondContact O-OG1 2.88Å | ||
| 216 | P | 94.1 | Very high | 95.3 | Very high | 11 Ų | 11 | 40.1 Ų | 40.1 | 7% | 0.071 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -28 | -172.4 | 24.9 | -35 | 0 | 0 | 0 | 114.2 | R214 F224 I262 Y286 R289 | R214-P216 WeakPolarHBondContact O-CD 3.39Å; P216-F224 HydrophobicContact CB-CE2 3.98Å; P216-F224 HydrophobicContact CB-CZ 4.39Å; P216-I262 HydrophobicContact CG-CG2 3.78Å; P216-Y286 HydrophobicContact CB-CE1 4.48Å; P216-Y286 HydrophobicContact CG-CE1 4.42Å; P216-R289 HydrophobicContact CB-CB 4.04Å; P216-R289 HydrophobicContact CB-CG 3.79Å; P216-R289 PolarHBondContact O-NE 2.57Å |
| 217 | S | 90.3 | Very high | 95.4 | Very high | 71 Ų | 71 | 40.1 Ų | 40.1 | 50% | 0.497 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -24.4 | -175.3 | 57.3 | 0 | 0 | 0 | 0 | 114.5 | N215 | N215-S217 VanDerWaalsContact C-N 3.27Å; N215-S217 PolarHBondContact O-N 3.15Å |
| 218 | T | 91.1 | Very high | 95.5 | Very high | 108 Ų | 108 | 37.1 Ų | 37.1 | 66% | 0.663 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.4 | -9.8 | -175.5 | 57.4 | 0 | 0 | 0 | 0 | 113.5 | N215 | N215-T218 PolarHBondContact O-N 3Š|
| 219 | T | 93.7 | Very high | 95.7 | Very high | 12 Ų | 12 | 38.3 Ų | 38.3 | 7% | 0.074 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -92.6 | 132 | -177.5 | -53.2 | 0 | 0 | 0 | 0 | 111.2 | I212 N215 T223 F224 R289 | I212-T219 HydrophobicContact CB-CG2 4.36Å; I212-T219 HydrophobicContact CG1-CG2 4.36Å; I212-T219 HydrophobicContact CG2-CG2 3.42Å; I212-T219 VanDerWaalsContact CG2-CG2 3.42Å; N215-T219 PolarHBondContact O-N 3.4Å; N215-T219 PolarHBondContact O-OG1 2.88Å; T219-T223 HydrophobicContact CG2-CG2 4.39Å; T219-F224 HydrophobicContact CG2-CB 4.11Å; T219-F224 HydrophobicContact CG2-CD2 4.49Å; T219-R289 PolarHBondContact O-NH2 2.99Å |
| 220 | P | 94.7 | Very high | 95.8 | Very high | 56 Ų | 56 | 38.3 Ų | 38.3 | 36% | 0.364 | 22% | 0.218 | S | C | . | . | trans | -55 | 141.2 | 168.3 | -24.6 | 34.7 | 0 | 0 | 0 | 112.5 | M175 S222 T223 F224 | M175-P220 HydrophobicContact CB-CG 3.97Å; M175-P220 HydrophobicContact CG-CG 4.13Å; P220-S222 PolarHBondContact O-N 3.43Å; P220-T223 PolarHBondContact O-N 3.22Å; P220-F224 PolarHBondContact O-N 3.42Å | ||
| 221 | E | 93.5 | Very high | 95.8 | Very high | 119 Ų | 119 | 38.3 Ų | 38.3 | 56% | 0.556 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -53.4 | -50.5 | -178.5 | -174.7 | -168.3 | 152.1 | 0 | 0 | 112.8 | T223 F224 D225 R289 | E221-T223 PolarHBondContact O-N 2.87Å; E221-T223 VanDerWaalsContact O-N 3.15Å; E221-F224 PolarHBondContact O-N 3.22Å; E221-F224 VanDerWaalsContact O-N 3.11Å; E221-D225 PolarHBondContact O-N 3.08Å; E221-R289 VanDerWaalsContact CA-NH2 3.29Å |
| 222 | S | 94.6 | Very high | 95.9 | Very high | 69 Ų | 69 | 37.6 Ų | 37.6 | 48% | 0.483 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -55.9 | -32.8 | 178 | 60.6 | 0 | 0 | 0 | 0 | 114.3 | P220 A226 | P220-S222 PolarHBondContact O-N 3.43Å; S222-A226 WeakPolarHBondContact O-CB 3.35Å; S222-A226 PolarHBondContact O-N 3.18Å |
| 223 | T | 96.5 | Very high | 95.9 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -83 | -36.6 | 179.5 | -47.6 | 0 | 0 | 0 | 0 | 111.2 | M175 L178 I212 T219 P220 E221 A227 | M175-T223 HydrophobicContact CB-CG2 4.48Å; M175-T223 PolarHBondContact O-OG1 3.38Å; M175-T223 HydrophobicContact SD-CG2 3.97Å; L178-T223 HydrophobicContact CB-CG2 4.17Å; I212-T223 HydrophobicContact CD1-CG2 3.82Å; T219-T223 HydrophobicContact CG2-CG2 4.39Å; P220-T223 PolarHBondContact O-N 3.22Å; E221-T223 PolarHBondContact O-N 2.87Å; E221-T223 VanDerWaalsContact O-N 3.15Å; T223-A227 VanDerWaalsContact O-CB 3.32Å; T223-A227 WeakPolarHBondContact O-CB 3.38Å; T223-A227 PolarHBondContact O-N 3.25Å |
| 224 | F | 97.5 | Very high | 95.8 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.4 | -48 | 175.3 | -165.7 | -84.1 | 0 | 0 | 0 | 111.2 | I212 L213 P216 T219 P220 E221 A227 S228 R289 C292 L293 | I212-F224 HydrophobicContact CG2-CD2 4.17Å; L213-F224 HydrophobicContact CD2-CD1 4.21Å; L213-F224 HydrophobicContact CD2-CD2 4.37Å; L213-F224 HydrophobicContact CD2-CE1 3.87Å; L213-F224 HydrophobicContact CD2-CE2 4.06Å; L213-F224 HydrophobicContact CD2-CG 4.46Å; L213-F224 HydrophobicContact CD2-CZ 3.79Å; P216-F224 HydrophobicContact CB-CE2 3.98Å; P216-F224 HydrophobicContact CB-CZ 4.39Å; T219-F224 HydrophobicContact CG2-CB 4.11Å; T219-F224 HydrophobicContact CG2-CD2 4.49Å; P220-F224 PolarHBondContact O-N 3.42Å; E221-F224 PolarHBondContact O-N 3.22Å; E221-F224 VanDerWaalsContact O-N 3.11Å; F224-A227 PolarHBondContact O-N 3.28Å; F224-S228 WeakPolarHBondContact O-CB 3.35Å; F224-S228 PolarHBondContact O-N 3.22Å; F224-R289 VanDerWaalsContact CD1-CD 3.41Å; F224-R289 HydrophobicContact CE1-CB 4.08Å; F224-R289 HydrophobicContact CE1-CG 4.39Å; F224-R289 VanDerWaalsContact CG-CD 3.43Å; F224-R289 HydrophobicContact CZ-CB 4.08Å; F224-R289 HydrophobicContact CZ-CG 4.4Å; F224-C292 HydrophobicContact CD1-CB 4.12Å; F224-C292 HydrophobicContact CE1-CB 3.73Å; F224-L293 HydrophobicContact CZ-CD2 4.44Å; F224-L293 HydrophobicContact CZ-CG 4.44Å |
| 225 | D | 97.2 | Very high | 95.6 | Very high | 63 Ų | 63 | 33.4 Ų | 33.4 | 34% | 0.337 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -61.4 | -50.7 | 175.6 | 176.2 | 52.3 | 0 | 0 | 0 | 110.8 | E221 A227 S228 Q229 | E221-D225 PolarHBondContact O-N 3.08Å; D225-A227 VanDerWaalsContact C-N 3.31Å; D225-A227 PolarHBondContact O-N 3.16Å; D225-S228 CarbonylContact O-C 3.48Å; D225-S228 WeakPolarHBondContact O-CA 3.45Å; D225-S228 VanDerWaalsContact O-CB 3.25Å; D225-S228 WeakPolarHBondContact O-CB 3.13Å; D225-S228 PolarHBondContact O-N 2.84Å; D225-Q229 WeakPolarHBondContact O-CG 3.14Å; D225-Q229 PolarHBondContact O-N 3.19Å; D225-Q229 PolarHBondContact OD1-NE2 3.47Å |
| 226 | A | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59 | -39.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | A179 Y182 N183 S222 Q229 W230 | A179-A226 HydrophobicContact CB-CB 4.16Å; A179-A226 WeakPolarHBondContact O-CB 3.45Å; Y182-A226 WeakPolarHBondContact CB-O 3.25Å; N183-A226 WeakPolarHBondContact ND2-CB 3.39Å; S222-A226 WeakPolarHBondContact O-CB 3.35Å; S222-A226 PolarHBondContact O-N 3.18Å; A226-Q229 PolarHBondContact O-N 2.87Å; A226-W230 PolarHBondContact O-N 3.31Å |
| 227 | A | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64 | -40.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y182 A209 I212 T223 F224 D225 W230 V231 | Y182-A227 HydrophobicContact CD2-CB 4.03Å; Y182-A227 HydrophobicContact CE2-CB 4.15Å; A209-A227 HydrophobicContact CB-CB 4.14Å; I212-A227 HydrophobicContact CG2-CB 4.02Å; T223-A227 VanDerWaalsContact O-CB 3.32Å; T223-A227 WeakPolarHBondContact O-CB 3.38Å; T223-A227 PolarHBondContact O-N 3.25Å; F224-A227 PolarHBondContact O-N 3.28Å; D225-A227 VanDerWaalsContact C-N 3.31Å; D225-A227 PolarHBondContact O-N 3.16Å; A227-W230 PolarHBondContact O-N 2.95Å; A227-V231 WeakPolarHBondContact O-CG2 3.47Å; A227-V231 PolarHBondContact O-N 3.22Å; A227-V231 VanDerWaalsContact O-N 3.16Å |
| 228 | S | 98 | Very high | 95 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.007 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.5 | -47.5 | 174.2 | -176.9 | 0 | 0 | 0 | 0 | 112 | F224 D225 W230 V231 L232 | F224-S228 WeakPolarHBondContact O-CB 3.35Å; F224-S228 PolarHBondContact O-N 3.22Å; D225-S228 CarbonylContact O-C 3.48Å; D225-S228 WeakPolarHBondContact O-CA 3.45Å; D225-S228 VanDerWaalsContact O-CB 3.25Å; D225-S228 WeakPolarHBondContact O-CB 3.13Å; D225-S228 PolarHBondContact O-N 2.84Å; S228-W230 VanDerWaalsContact C-N 3.31Å; S228-W230 PolarHBondContact O-N 3.45Å; S228-V231 PolarHBondContact O-N 2.73Å; S228-V231 VanDerWaalsContact O-N 3.15Å; S228-L232 WeakPolarHBondContact O-CG 3.29Å; S228-L232 PolarHBondContact O-N 2.96Å |
| 229 | Q | 98 | Very high | 94.3 | Very high | 75 Ų | 75 | 30.7 Ų | 30.7 | 35% | 0.35 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -57.3 | -42.3 | 178.4 | -63.9 | -53.1 | -37 | 0 | 0 | 112.1 | A186 D225 A226 L232 A233 | A186-Q229 HydrophobicContact CB-CB 4.37Å; D225-Q229 WeakPolarHBondContact O-CG 3.14Å; D225-Q229 PolarHBondContact O-N 3.19Å; D225-Q229 PolarHBondContact OD1-NE2 3.47Å; A226-Q229 PolarHBondContact O-N 2.87Å; Q229-L232 WeakPolarHBondContact O-CB 3.27Å; Q229-L232 PolarHBondContact O-N 3.2Å; Q229-A233 PolarHBondContact O-N 3.24Å |
| 230 | W | 97.8 | Very high | 93 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68 | -40.8 | 177.4 | -175.5 | 39.1 | 0 | 0 | 0 | 112.6 | Y182 L185 A186 W189 V200 P201 L205 L206 A209 A226 A227 S228 L232 A233 L234 | Y182-W230 HydrophobicContact CD1-CD2 4.23Å; Y182-W230 AromaticContact CD1-CE3 3.43Å; Y182-W230 HydrophobicContact CD1-CE3 3.43Å; Y182-W230 VanDerWaalsContact CD1-CE3 3.43Å; Y182-W230 AromaticContact CD1-CZ3 3.9Å; Y182-W230 HydrophobicContact CD1-CZ3 3.9Å; Y182-W230 AromaticContact CE1-CE3 3.73Å; Y182-W230 HydrophobicContact CE1-CE3 3.73Å; Y182-W230 AromaticContact CE1-CZ3 3.75Å; Y182-W230 HydrophobicContact CE1-CZ3 3.75Å; Y182-W230 HydrophobicContact CG-CE3 4.45Å; L185-W230 HydrophobicContact CB-CD2 4.13Å; L185-W230 HydrophobicContact CB-CG 4.01Å; L185-W230 HydrophobicContact CD1-CD2 4.12Å; L185-W230 HydrophobicContact CD1-CE3 4.31Å; L185-W230 HydrophobicContact CD1-CH2 4.13Å; L185-W230 HydrophobicContact CD1-CZ2 3.94Å; L185-W230 HydrophobicContact CD1-CZ3 4.3Å; A186-W230 HydrophobicContact CB-CB 4.29Å; W189-W230 AromaticContact CE3-NE1 3.93Å; V200-W230 HydrophobicContact CG1-CZ2 4.3Å; P201-W230 HydrophobicContact CG-CH2 4.02Å; P201-W230 HydrophobicContact CG-CZ2 4.12Å; L205-W230 HydrophobicContact CB-CH2 3.86Å; L205-W230 HydrophobicContact CB-CZ3 4.01Å; L206-W230 HydrophobicContact CB-CH2 3.99Å; L206-W230 HydrophobicContact CB-CZ3 4.15Å; L206-W230 HydrophobicContact CD1-CE3 4.37Å; L206-W230 HydrophobicContact CD1-CH2 4.23Å; L206-W230 HydrophobicContact CD1-CZ3 4Å; A209-W230 HydrophobicContact CB-CE3 4.23Å; A209-W230 HydrophobicContact CB-CZ3 4.29Å; A226-W230 PolarHBondContact O-N 3.31Å; A227-W230 PolarHBondContact O-N 2.95Å; S228-W230 VanDerWaalsContact C-N 3.31Å; S228-W230 PolarHBondContact O-N 3.45Å; W230-L232 VanDerWaalsContact C-N 3.27Å; W230-L232 PolarHBondContact O-N 2.74Å; W230-A233 WeakPolarHBondContact O-CB 3.35Å; W230-A233 PolarHBondContact O-N 2.97Å; W230-L234 HydrophobicContact CD2-CD1 4.44Å; W230-L234 HydrophobicContact CZ2-CD1 4.27Å; W230-L234 WeakPolarHBondContact O-CG 3.42Å; W230-L234 PolarHBondContact O-N 3.48Å |
| 231 | V | 97.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60 | -39.1 | 173.8 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | L206 F210 L213 A227 S228 L234 L235 I296 | L206-V231 HydrophobicContact CD1-CG2 4.49Å; F210-V231 HydrophobicContact CD2-CG2 4.48Å; F210-V231 HydrophobicContact CE2-CG1 4.5Å; F210-V231 HydrophobicContact CE2-CG2 3.82Å; F210-V231 HydrophobicContact CZ-CG1 4.12Å; F210-V231 HydrophobicContact CZ-CG2 4.16Å; L213-V231 HydrophobicContact CD1-CG2 4.07Å; A227-V231 WeakPolarHBondContact O-CG2 3.47Å; A227-V231 PolarHBondContact O-N 3.22Å; A227-V231 VanDerWaalsContact O-N 3.16Å; S228-V231 PolarHBondContact O-N 2.73Å; S228-V231 VanDerWaalsContact O-N 3.15Å; V231-L234 PolarHBondContact O-N 3.01Å; V231-L235 HydrophobicContact CG1-CD1 4.36Å; V231-L235 WeakPolarHBondContact O-CG 3.41Å; V231-L235 PolarHBondContact O-N 3.07Å; V231-I296 HydrophobicContact CB-CD1 4.42Å; V231-I296 HydrophobicContact CG1-CD1 4.2Å; V231-I296 HydrophobicContact CG1-CG1 4.26Å; V231-I296 HydrophobicContact CG1-CG2 4.15Å |
| 232 | L | 97.3 | Very high | 89.5 | Confident | 31 Ų | 31 | 36.1 Ų | 36.1 | 16% | 0.162 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.7 | -43.7 | 175.3 | -70.8 | 170 | 0 | 0 | 0 | 112.3 | S228 Q229 W230 L234 L235 Y236 H295 I296 | S228-L232 WeakPolarHBondContact O-CG 3.29Å; S228-L232 PolarHBondContact O-N 2.96Å; Q229-L232 WeakPolarHBondContact O-CB 3.27Å; Q229-L232 PolarHBondContact O-N 3.2Å; W230-L232 VanDerWaalsContact C-N 3.27Å; W230-L232 PolarHBondContact O-N 2.74Å; L232-L234 VanDerWaalsContact C-N 3.32Å; L232-L234 PolarHBondContact O-N 3.21Å; L232-L235 PolarHBondContact O-N 3.04Å; L232-Y236 PolarHBondContact O-N 2.88Å; L232-H295 HydrophobicContact CD1-CB 4.15Å; L232-H295 HydrophobicContact CD2-CB 4.29Å; L232-H295 WeakPolarHBondContact CD2-O 3.22Å; L232-I296 HydrophobicContact CD2-CG1 4.17Å; L232-I296 HydrophobicContact CG-CG1 4.28Å |
| 233 | A | 95.3 | Very high | 87.8 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 2% | 0.017 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.1 | -40.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | A186 W189 D190 Q229 W230 Y236 Q237 | A186-A233 HydrophobicContact CB-CB 4.24Å; W189-A233 HydrophobicContact CB-CB 3.96Å; D190-A233 WeakPolarHBondContact OD1-CA 3.41Å; D190-A233 VanDerWaalsContact OD1-CB 3.26Å; D190-A233 WeakPolarHBondContact OD1-CB 3.22Å; Q229-A233 PolarHBondContact O-N 3.24Å; W230-A233 WeakPolarHBondContact O-CB 3.35Å; W230-A233 PolarHBondContact O-N 2.97Å; A233-Y236 PolarHBondContact O-N 2.71Å; A233-Q237 PolarHBondContact O-N 3.44Å |
| 234 | L | 95.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.9 | -43.7 | 175.4 | -64.6 | 178.7 | 0 | 0 | 0 | 112.3 | W189 V200 L206 W230 V231 L232 Y236 Q237 C238 L252 | W189-L234 HydrophobicContact CD2-CD2 4.14Å; W189-L234 HydrophobicContact CG-CD2 4.22Å; W189-L234 HydrophobicContact CZ2-CD2 4.22Å; V200-L234 HydrophobicContact CG1-CD1 4.25Å; V200-L234 HydrophobicContact CG1-CD2 4.39Å; V200-L234 HydrophobicContact CG2-CD2 3.69Å; L206-L234 HydrophobicContact CD1-CD1 3.62Å; L206-L234 HydrophobicContact CD2-CD1 4.25Å; W230-L234 HydrophobicContact CD2-CD1 4.44Å; W230-L234 HydrophobicContact CZ2-CD1 4.27Å; W230-L234 WeakPolarHBondContact O-CG 3.42Å; W230-L234 PolarHBondContact O-N 3.48Å; V231-L234 PolarHBondContact O-N 3.01Å; L232-L234 VanDerWaalsContact C-N 3.32Å; L232-L234 PolarHBondContact O-N 3.21Å; L234-Y236 VanDerWaalsContact C-N 3.33Å; L234-Y236 PolarHBondContact O-N 2.93Å; L234-Q237 PolarHBondContact O-N 2.96Å; L234-C238 PolarHBondContact O-N 3.19Å; L234-C238 PolarHBondContact O-SG 3.5Å; L234-L252 HydrophobicContact CB-CD1 4.02Å |
| 235 | L | 94.7 | Very high | 84.9 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.9 | -42.1 | 175.6 | -73.8 | 170.8 | 0 | 0 | 0 | 111.6 | V231 L232 Q237 C238 K239 L249 L252 I256 I296 L300 T303 | V231-L235 HydrophobicContact CG1-CD1 4.36Å; V231-L235 WeakPolarHBondContact O-CG 3.41Å; V231-L235 PolarHBondContact O-N 3.07Å; L232-L235 PolarHBondContact O-N 3.04Å; L235-Q237 VanDerWaalsContact C-N 3.33Å; L235-Q237 PolarHBondContact O-N 3.37Å; L235-C238 PolarHBondContact O-N 3.49Å; L235-K239 PolarHBondContact O-N 2.98Å; L235-K239 VanDerWaalsContact O-N 3.16Å; L235-L249 HydrophobicContact CD2-CD1 4.48Å; L235-L252 HydrophobicContact CD2-CB 4.39Å; L235-L252 HydrophobicContact CD2-CD1 4.1Å; L235-L252 HydrophobicContact CG-CD1 4.47Å; L235-I256 HydrophobicContact CD1-CD1 3.9Å; L235-I256 HydrophobicContact CD2-CD1 3.94Å; L235-I256 HydrophobicContact CG-CD1 4.33Å; L235-I296 HydrophobicContact CD1-CG2 4.28Å; L235-L300 HydrophobicContact CD1-CB 4.45Å; L235-L300 HydrophobicContact CD2-CD1 3.93Å; L235-T303 PolarHBondContact O-OG1 3.35Å |
| 236 | Y | 90.7 | Very high | 84.4 | Confident | 123 Ų | 123 | 47 Ų | 47 | 48% | 0.482 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.4 | -42 | 176.8 | -177.4 | -95.8 | 0 | 0 | 0 | 112 | L232 A233 L234 K239 | L232-Y236 PolarHBondContact O-N 2.88Å; A233-Y236 PolarHBondContact O-N 2.71Å; L234-Y236 VanDerWaalsContact C-N 3.33Å; L234-Y236 PolarHBondContact O-N 2.93Å; Y236-K239 VanDerWaalsContact O-CB 3.27Å; Y236-K239 WeakPolarHBondContact O-CB 3.34Å; Y236-K239 PolarHBondContact O-N 3.46Å |
| 237 | Q | 88.1 | Confident | 83.9 | Confident | 14 Ų | 14 | 54.5 Ų | 54.5 | 7% | 0.065 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 175 | -174.3 | -169.2 | 36.6 | 0 | 0 | 112.1 | W189 M195 A233 L234 L235 K239 Q240 L241 | W189-Q237 VanDerWaalsContact NE1-CD 3.25Å; M195-Q237 PolarHBondContact O-NE2 2.93Å; A233-Q237 PolarHBondContact O-N 3.44Å; L234-Q237 PolarHBondContact O-N 2.96Å; L235-Q237 VanDerWaalsContact C-N 3.33Å; L235-Q237 PolarHBondContact O-N 3.37Å; Q237-K239 PolarHBondContact O-N 2.89Å; Q237-Q240 WeakPolarHBondContact O-CB 3.28Å; Q237-Q240 PolarHBondContact O-N 3.02Å; Q237-L241 HydrophobicContact CG-CD1 4.15Å |
| 238 | C | 88.1 | Confident | 83.7 | Confident | 4 Ų | 4 | 54.9 Ų | 54.9 | 3% | 0.027 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.6 | -30 | 177.9 | -73.3 | 0 | 0 | 0 | 0 | 112.6 | L234 L235 Q240 L241 L249 T303 | L234-C238 PolarHBondContact O-N 3.19Å; L234-C238 PolarHBondContact O-SG 3.5Å; L235-C238 PolarHBondContact O-N 3.49Å; C238-Q240 PolarHBondContact O-N 3.28Å; C238-L241 PolarHBondContact O-N 3.46Å; C238-L241 VanDerWaalsContact O-N 3.17Å; C238-L249 HydrophobicContact CB-CB 4.32Å; C238-L249 HydrophobicContact CB-CD1 4.09Å; C238-T303 HydrophobicContact CB-CG2 3.95Å |
| 239 | K | 76.7 | Confident | 83.4 | Confident | 74 Ų | 74 | 55.5 Ų | 55.5 | 32% | 0.322 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.5 | -32.6 | 174.4 | -170.4 | -176.6 | 175.5 | -172.7 | 0 | 112.8 | L235 Y236 Q237 L241 T303 | L235-K239 PolarHBondContact O-N 2.98Å; L235-K239 VanDerWaalsContact O-N 3.16Å; Y236-K239 VanDerWaalsContact O-CB 3.27Å; Y236-K239 WeakPolarHBondContact O-CB 3.34Å; Y236-K239 PolarHBondContact O-N 3.46Å; Q237-K239 PolarHBondContact O-N 2.89Å; K239-L241 VanDerWaalsContact C-N 3.34Å; K239-T303 HydrophobicContact CB-CG2 4.39Å |
| 240 | Q | 66.8 | Low | 83.1 | Confident | 137 Ų | 137 | 56 Ų | 56 | 64% | 0.64 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -78.6 | -19.3 | 179.1 | -62.1 | -172.5 | -7.3 | 0 | 0 | 113 | Q237 C238 | Q237-Q240 WeakPolarHBondContact O-CB 3.28Å; Q237-Q240 PolarHBondContact O-N 3.02Å; C238-Q240 PolarHBondContact O-N 3.28Å |
| 241 | L | 60.4 | Low | 83 | Confident | 65 Ų | 65 | 58.7 Ų | 58.7 | 34% | 0.34 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 9 | -169.3 | -70.8 | 167.4 | 0 | 0 | 0 | 114.2 | E197 Q237 C238 K239 N243 | E197-L241 HydrophobicContact CG-CD1 3.51Å; Q237-L241 HydrophobicContact CG-CD1 4.15Å; C238-L241 PolarHBondContact O-N 3.46Å; C238-L241 VanDerWaalsContact O-N 3.17Å; K239-L241 VanDerWaalsContact C-N 3.34Å; L241-N243 WeakPolarHBondContact O-CB 3.26Å; L241-N243 PolarHBondContact O-N 3.15Å |
| 242 | S | 54.2 | Low | 82.8 | Confident | 100 Ų | 100 | 58.7 Ų | 58.7 | 70% | 0.699 | 30% | 0.297 | S | S | * | . | trans | -37.7 | 59.2 | -169 | 57.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 243 | N | 58.3 | Low | 82.7 | Confident | 122 Ų | 122 | 57.3 Ų | 57.3 | 65% | 0.652 | 29% | 0.29 | S | S | * | . | trans | -108.8 | 139.2 | 172.1 | -73.3 | -34.7 | 0 | 0 | 0 | 107.1 | L241 N245 S246 | L241-N243 WeakPolarHBondContact O-CB 3.26Å; L241-N243 PolarHBondContact O-N 3.15Å; N243-N245 PolarHBondContact O-N 2.94Å; N243-S246 PolarHBondContact O-N 3.37Å | ||
| 244 | S | 62.2 | Low | 82.7 | Confident | 95 Ų | 95 | 62.3 Ų | 62.3 | 66% | 0.664 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 3.2 | -177.3 | -41.8 | 0 | 0 | 0 | 0 | 115.3 | F320 | S244-F320 WeakPolarHBondContact O-CE2 3.42Š|
| 245 | N | 71.1 | Confident | 82.8 | Confident | 135 Ų | 135 | 63.5 Ų | 63.5 | 72% | 0.722 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117 | 7.3 | -171.1 | -67.8 | -13.6 | 0 | 0 | 0 | 114.6 | N243 E247 | N243-N245 PolarHBondContact O-N 2.94Å; N245-E247 PolarHBondContact O-N 3.46Å; N245-E247 VanDerWaalsContact O-N 3.13Å |
| 246 | S | 85.6 | Confident | 82.9 | Confident | 8 Ų | 8 | 63.5 Ų | 63.5 | 6% | 0.056 | 32% | 0.319 | C | S | . | . | trans | -61.3 | 115.8 | 177.9 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | E197 N243 L249 R250 | E197-S246 WeakPolarHBondContact OE1-CB 3.48Å; E197-S246 PolarHBondContact OE1-OG 3.16Å; E197-S246 PolarHBondContact OE2-OG 3.36Å; N243-S246 PolarHBondContact O-N 3.37Å; S246-L249 WeakPolarHBondContact OG-CB 3.39Å; S246-L249 PolarHBondContact OG-N 2.82Å; S246-R250 PolarHBondContact O-N 3.28Å | ||
| 247 | E | 88.3 | Confident | 83.2 | Confident | 158 Ų | 158 | 58.5 Ų | 58.5 | 74% | 0.738 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -73.8 | -38.1 | 175.2 | -67 | -173.8 | 166.1 | 0 | 0 | 110.9 | N245 R250 W251 | N245-E247 PolarHBondContact O-N 3.46Å; N245-E247 VanDerWaalsContact O-N 3.13Å; E247-R250 PolarHBondContact O-N 2.89Å; E247-W251 WeakPolarHBondContact O-CB 3.34Å; E247-W251 PolarHBondContact O-N 2.94Å |
| 248 | L | 91.9 | Very high | 83.6 | Confident | 8 Ų | 8 | 60 Ų | 60 | 4% | 0.042 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.1 | -47.5 | 177.4 | 177.9 | 65.3 | 0 | 0 | 0 | 111.5 | E197 V200 L206 R250 W251 L252 | E197-L248 HydrophobicContact CB-CB 4.22Å; E197-L248 HydrophobicContact CB-CD2 4.16Å; E197-L248 HydrophobicContact CG-CB 4.2Å; E197-L248 HydrophobicContact CG-CD2 3.96Å; V200-L248 HydrophobicContact CB-CD1 4.46Å; V200-L248 HydrophobicContact CG1-CD1 4.17Å; V200-L248 HydrophobicContact CG2-CD1 4.3Å; V200-L248 HydrophobicContact CG2-CD2 3.79Å; L206-L248 HydrophobicContact CD2-CD1 4.16Å; L248-R250 VanDerWaalsContact C-N 3.31Å; L248-R250 PolarHBondContact O-N 3.37Å; L248-W251 WeakPolarHBondContact O-CB 3.49Å; L248-W251 PolarHBondContact O-N 3.37Å; L248-L252 HydrophobicContact CD1-CD1 4.2Å; L248-L252 HydrophobicContact CD1-CG 4.18Å; L248-L252 HydrophobicContact CD2-CD1 4.49Å; L248-L252 HydrophobicContact CG-CD1 3.93Å; L248-L252 HydrophobicContact CG-CG 4.32Å; L248-L252 WeakPolarHBondContact O-CB 3.34Å; L248-L252 WeakPolarHBondContact O-CG 3.42Å; L248-L252 PolarHBondContact O-N 2.9Å |
| 249 | L | 93 | Very high | 84 | Confident | 14 Ų | 14 | 59.8 Ų | 59.8 | 7% | 0.073 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.6 | -40.3 | -179.4 | -179 | 57.4 | 0 | 0 | 0 | 111.6 | L235 C238 S246 W251 L252 Q253 T303 L304 F320 | L235-L249 HydrophobicContact CD2-CD1 4.48Å; C238-L249 HydrophobicContact CB-CB 4.32Å; C238-L249 HydrophobicContact CB-CD1 4.09Å; S246-L249 WeakPolarHBondContact OG-CB 3.39Å; S246-L249 PolarHBondContact OG-N 2.82Å; L249-W251 VanDerWaalsContact C-N 3.34Å; L249-L252 PolarHBondContact O-N 3.46Å; L249-Q253 VanDerWaalsContact O-CB 3.22Å; L249-Q253 WeakPolarHBondContact O-CB 2.88Å; L249-Q253 PolarHBondContact O-N 2.77Å; L249-T303 HydrophobicContact CD1-CG2 3.74Å; L249-T303 HydrophobicContact CD2-CG2 4.38Å; L249-L304 HydrophobicContact CD1-CD2 4.13Å; L249-L304 HydrophobicContact CD2-CD2 3.86Å; L249-L304 HydrophobicContact CG-CD2 4.09Å; L249-F320 HydrophobicContact CB-CE1 4.02Å; L249-F320 HydrophobicContact CB-CZ 4.32Å; L249-F320 HydrophobicContact CD2-CD1 4.08Å; L249-F320 HydrophobicContact CD2-CE1 3.84Å; L249-F320 HydrophobicContact CD2-CZ 4.19Å; L249-F320 HydrophobicContact CG-CD1 4.14Å; L249-F320 HydrophobicContact CG-CE1 3.68Å; L249-F320 HydrophobicContact CG-CZ 4.32Å |
| 250 | R | 92.2 | Very high | 85 | Confident | 86 Ų | 86 | 57.5 Ų | 57.5 | 33% | 0.325 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.6 | -44.9 | 175.9 | -173.6 | 177.5 | -64 | 101 | 4.7 | 110.8 | S246 E247 L248 Q253 E254 F320 | S246-R250 PolarHBondContact O-N 3.28Å; E247-R250 PolarHBondContact O-N 2.89Å; L248-R250 VanDerWaalsContact C-N 3.31Å; L248-R250 PolarHBondContact O-N 3.37Å; R250-Q253 PolarHBondContact O-N 3.44Å; R250-E254 WeakPolarHBondContact O-CG 3.35Å; R250-E254 PolarHBondContact O-N 3.38Å; R250-F320 HydrophobicContact CB-CE1 4.06Å; R250-F320 HydrophobicContact CB-CZ 4.33Å |
| 251 | W | 93.9 | Very high | 86.4 | Confident | 56 Ų | 56 | 53.4 Ų | 53.4 | 21% | 0.212 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.4 | -45.2 | 177 | -170.9 | 96.7 | 0 | 0 | 0 | 112.1 | I202 L206 N207 F210 E247 L248 L249 N255 | I202-W251 HydrophobicContact CG2-CZ2 4.48Å; L206-W251 HydrophobicContact CD1-CZ3 4.3Å; L206-W251 HydrophobicContact CD2-CE3 3.67Å; L206-W251 HydrophobicContact CD2-CH2 3.91Å; L206-W251 HydrophobicContact CD2-CZ3 3.33Å; L206-W251 HydrophobicContact CG-CE3 4.33Å; L206-W251 HydrophobicContact CG-CH2 3.71Å; L206-W251 HydrophobicContact CG-CZ3 3.48Å; L206-W251 VanDerWaalsContact CG-CZ3 3.48Å; N207-W251 WeakPolarHBondContact OD1-CZ2 3.4Å; F210-W251 AromaticContact CD2-CH2 3.64Å; F210-W251 HydrophobicContact CD2-CH2 3.64Å; F210-W251 AromaticContact CD2-CZ3 3.6Å; F210-W251 HydrophobicContact CD2-CZ3 3.6Å; F210-W251 HydrophobicContact CE2-CH2 4.04Å; F210-W251 AromaticContact CE2-CZ3 3.49Å; F210-W251 HydrophobicContact CE2-CZ3 3.49Å; F210-W251 VanDerWaalsContact CE2-CZ3 3.49Å; F210-W251 HydrophobicContact CG-CH2 4.28Å; F210-W251 HydrophobicContact CG-CZ3 4.48Å; F210-W251 HydrophobicContact CZ-CZ3 4.27Å; E247-W251 WeakPolarHBondContact O-CB 3.34Å; E247-W251 PolarHBondContact O-N 2.94Å; L248-W251 WeakPolarHBondContact O-CB 3.49Å; L248-W251 PolarHBondContact O-N 3.37Å; L249-W251 VanDerWaalsContact C-N 3.34Å; W251-N255 VanDerWaalsContact CD2-ND2 3.33Å; W251-N255 HydrophobicContact CE3-CB 4.49Å; W251-N255 HydrophobicContact CH2-CB 4.36Å; W251-N255 WeakPolarHBondContact CZ2-ND2 3.37Å; W251-N255 HydrophobicContact CZ3-CB 4.18Å; W251-N255 WeakPolarHBondContact O-CB 3.23Å; W251-N255 PolarHBondContact O-N 3.49Å; W251-N255 VanDerWaalsContact O-N 3.07Å; W251-N255 PolarHBondContact O-ND2 3.01Å |
| 252 | L | 95.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.8 | -47.7 | 176.1 | -73.2 | 172.6 | 0 | 0 | 0 | 110.8 | L206 F210 L234 L235 L248 L249 E254 N255 I256 | L206-L252 HydrophobicContact CD2-CD2 4.42Å; F210-L252 HydrophobicContact CE2-CD2 3.87Å; F210-L252 HydrophobicContact CZ-CD2 4Å; L234-L252 HydrophobicContact CB-CD1 4.02Å; L235-L252 HydrophobicContact CD2-CB 4.39Å; L235-L252 HydrophobicContact CD2-CD1 4.1Å; L235-L252 HydrophobicContact CG-CD1 4.47Å; L248-L252 HydrophobicContact CD1-CD1 4.2Å; L248-L252 HydrophobicContact CD1-CG 4.18Å; L248-L252 HydrophobicContact CD2-CD1 4.49Å; L248-L252 HydrophobicContact CG-CD1 3.93Å; L248-L252 HydrophobicContact CG-CG 4.32Å; L248-L252 WeakPolarHBondContact O-CB 3.34Å; L248-L252 WeakPolarHBondContact O-CG 3.42Å; L248-L252 PolarHBondContact O-N 2.9Å; L249-L252 PolarHBondContact O-N 3.46Å; L252-E254 PolarHBondContact O-N 3.2Å; L252-N255 PolarHBondContact O-N 3.17Å; L252-I256 HydrophobicContact CB-CD1 4.23Å; L252-I256 VanDerWaalsContact O-CB 3.29Å; L252-I256 WeakPolarHBondContact O-CB 3.18Å; L252-I256 WeakPolarHBondContact O-CD1 3.22Å; L252-I256 WeakPolarHBondContact O-CG1 3.46Å; L252-I256 PolarHBondContact O-N 2.9Å |
| 253 | Q | 95.1 | Very high | 90.2 | Very high | 3 Ų | 3 | 46.2 Ų | 46.2 | 1% | 0.014 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56 | -50.3 | 178.7 | -176.9 | -175.5 | 16.6 | 0 | 0 | 111.4 | L249 R250 N255 I256 Y257 L300 L304 G319 | L249-Q253 VanDerWaalsContact O-CB 3.22Å; L249-Q253 WeakPolarHBondContact O-CB 2.88Å; L249-Q253 PolarHBondContact O-N 2.77Å; R250-Q253 PolarHBondContact O-N 3.44Å; Q253-N255 PolarHBondContact O-N 3.27Å; Q253-I256 PolarHBondContact O-N 3.4Å; Q253-Y257 HydrophobicContact CG-CD2 4.36Å; Q253-Y257 HydrophobicContact CG-CE1 4.11Å; Q253-Y257 HydrophobicContact CG-CE2 3.69Å; Q253-Y257 PolarHBondContact NE2-OH 3.1Å; Q253-Y257 WeakPolarHBondContact O-CD2 3.48Å; Q253-Y257 VanDerWaalsContact O-CG 3.24Å; Q253-Y257 PolarHBondContact O-N 3.3Å; Q253-L300 HydrophobicContact CB-CD1 4.36Å; Q253-L304 HydrophobicContact CG-CD1 3.91Å; Q253-G319 PolarHBondContact NE2-O 2.9Å |
| 254 | E | 94.5 | Very high | 91.9 | Very high | 106 Ų | 106 | 45.2 Ų | 45.2 | 50% | 0.495 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.4 | -43.8 | 178.4 | -73.2 | 175.1 | -173.8 | 0 | 0 | 112.5 | R250 L252 | R250-E254 WeakPolarHBondContact O-CG 3.35Å; R250-E254 PolarHBondContact O-N 3.38Å; L252-E254 PolarHBondContact O-N 3.2Å |
| 255 | N | 96.6 | Very high | 93.5 | Very high | 25 Ų | 25 | 45.6 Ų | 45.6 | 13% | 0.134 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -73.5 | -35.2 | -179.2 | -79.3 | -86.5 | 0 | 0 | 0 | 112.6 | F210 R214 W251 L252 Q253 S258 | F210-N255 HydrophobicContact CD1-CB 3.7Å; F210-N255 HydrophobicContact CE1-CB 3.56Å; F210-N255 HydrophobicContact CE2-CB 4.43Å; F210-N255 HydrophobicContact CG-CB 4.18Å; F210-N255 HydrophobicContact CZ-CB 3.95Å; R214-N255 PolarHBondContact NH2-OD1 3.27Å; W251-N255 VanDerWaalsContact CD2-ND2 3.33Å; W251-N255 HydrophobicContact CE3-CB 4.49Å; W251-N255 HydrophobicContact CH2-CB 4.36Å; W251-N255 WeakPolarHBondContact CZ2-ND2 3.37Å; W251-N255 HydrophobicContact CZ3-CB 4.18Å; W251-N255 WeakPolarHBondContact O-CB 3.23Å; W251-N255 PolarHBondContact O-N 3.49Å; W251-N255 VanDerWaalsContact O-N 3.07Å; W251-N255 PolarHBondContact O-ND2 3.01Å; L252-N255 PolarHBondContact O-N 3.17Å; Q253-N255 PolarHBondContact O-N 3.27Å; N255-S258 WeakPolarHBondContact O-CB 3.4Å; N255-S258 PolarHBondContact O-N 3.09Å; N255-S258 PolarHBondContact O-OG 2.79Å |
| 256 | I | 97.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.4 | -38.7 | 176.5 | -69.3 | 164.9 | 0 | 0 | 0 | 110.7 | F210 L235 L252 Q253 S258 L259 I296 F297 L300 | F210-I256 HydrophobicContact CE1-CG1 3.93Å; F210-I256 HydrophobicContact CZ-CG1 3.92Å; L235-I256 HydrophobicContact CD1-CD1 3.9Å; L235-I256 HydrophobicContact CD2-CD1 3.94Å; L235-I256 HydrophobicContact CG-CD1 4.33Å; L252-I256 HydrophobicContact CB-CD1 4.23Å; L252-I256 VanDerWaalsContact O-CB 3.29Å; L252-I256 WeakPolarHBondContact O-CB 3.18Å; L252-I256 WeakPolarHBondContact O-CD1 3.22Å; L252-I256 WeakPolarHBondContact O-CG1 3.46Å; L252-I256 PolarHBondContact O-N 2.9Å; Q253-I256 PolarHBondContact O-N 3.4Å; I256-S258 PolarHBondContact O-N 2.72Å; I256-L259 VanDerWaalsContact O-CB 3.31Å; I256-L259 WeakPolarHBondContact O-CB 3.29Å; I256-L259 PolarHBondContact O-N 3.08Å; I256-I296 HydrophobicContact CB-CG2 4.48Å; I256-I296 HydrophobicContact CD1-CG2 3.78Å; I256-I296 HydrophobicContact CG1-CG2 3.75Å; I256-I296 HydrophobicContact CG2-CG2 3.88Å; I256-F297 HydrophobicContact CG2-CD1 3.59Å; I256-F297 HydrophobicContact CG2-CE1 3.72Å; I256-L300 HydrophobicContact CB-CD2 4.03Å; I256-L300 HydrophobicContact CD1-CB 4.34Å; I256-L300 HydrophobicContact CD1-CD1 4.12Å; I256-L300 HydrophobicContact CD1-CD2 4.32Å; I256-L300 HydrophobicContact CD1-CG 4.49Å; I256-L300 HydrophobicContact CG2-CD2 3.6Å |
| 257 | Y | 97.5 | Very high | 95 | Very high | 19 Ų | 19 | 39.4 Ų | 39.4 | 8% | 0.075 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.3 | -32.3 | 173.9 | -69.1 | -17.9 | 0 | 0 | 0 | 112.9 | Q253 L259 V260 L300 D322 R324 T325 | Q253-Y257 HydrophobicContact CG-CD2 4.36Å; Q253-Y257 HydrophobicContact CG-CE1 4.11Å; Q253-Y257 HydrophobicContact CG-CE2 3.69Å; Q253-Y257 PolarHBondContact NE2-OH 3.1Å; Q253-Y257 WeakPolarHBondContact O-CD2 3.48Å; Q253-Y257 VanDerWaalsContact O-CG 3.24Å; Q253-Y257 PolarHBondContact O-N 3.3Å; Y257-L259 PolarHBondContact O-N 3.4Å; Y257-V260 WeakPolarHBondContact O-CB 3.33Å; Y257-V260 WeakPolarHBondContact O-CG2 3.44Å; Y257-V260 PolarHBondContact O-N 3.45Å; Y257-L300 HydrophobicContact CD1-CD2 4.35Å; Y257-L300 HydrophobicContact CE1-CD2 4.01Å; Y257-D322 HydrophobicContact CE2-CB 4.48Å; Y257-D322 PolarHBondContact OH-O 2.83Å; Y257-D322 VanDerWaalsContact OH-O 3.06Å; Y257-R324 HydrophobicContact CD1-CB 4.26Å; Y257-R324 HydrophobicContact CD2-CB 4.24Å; Y257-R324 VanDerWaalsContact CD2-CZ 3.44Å; Y257-R324 HydrophobicContact CE1-CB 3.89Å; Y257-R324 HydrophobicContact CE2-CB 3.85Å; Y257-R324 HydrophobicContact CG-CB 4.41Å; Y257-T325 PolarHBondContact OH-N 3.49Å; Y257-T325 PolarHBondContact OH-OG1 3.32Å |
| 258 | S | 95.6 | Very high | 95.3 | Very high | 44 Ų | 44 | 37 Ų | 37 | 31% | 0.308 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -17.3 | 175.7 | 77.1 | 0 | 0 | 0 | 0 | 113.9 | R214 N255 I256 V260 S261 | R214-S258 PolarHBondContact NE-OG 2.71Å; R214-S258 PolarHBondContact NH2-OG 3.04Å; N255-S258 WeakPolarHBondContact O-CB 3.4Å; N255-S258 PolarHBondContact O-N 3.09Å; N255-S258 PolarHBondContact O-OG 2.79Å; I256-S258 PolarHBondContact O-N 2.72Å; S258-V260 VanDerWaalsContact C-N 3.3Å; S258-S261 PolarHBondContact O-OG 3.04Å |
| 259 | L | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -12.2 | 179.7 | -54.9 | 175.9 | 0 | 0 | 0 | 112.7 | F210 L213 R214 I256 Y257 S261 I262 V263 L293 F297 | F210-L259 HydrophobicContact CD1-CD1 4.36Å; F210-L259 HydrophobicContact CE1-CD1 4.05Å; L213-L259 HydrophobicContact CB-CD1 4.49Å; L213-L259 HydrophobicContact CB-CD2 4.11Å; L213-L259 HydrophobicContact CD1-CD1 4.38Å; R214-L259 HydrophobicContact CG-CD2 3.84Å; I256-L259 VanDerWaalsContact O-CB 3.31Å; I256-L259 WeakPolarHBondContact O-CB 3.29Å; I256-L259 PolarHBondContact O-N 3.08Å; Y257-L259 PolarHBondContact O-N 3.4Å; L259-S261 VanDerWaalsContact C-N 3.31Å; L259-S261 PolarHBondContact O-N 3.1Å; L259-I262 HydrophobicContact CD2-CG1 4.37Å; L259-I262 WeakPolarHBondContact O-CB 3.33Å; L259-I262 PolarHBondContact O-N 3.14Å; L259-I262 VanDerWaalsContact O-N 3.1Å; L259-V263 PolarHBondContact O-N 2.98Å; L259-L293 HydrophobicContact CB-CD2 4.17Å; L259-L293 HydrophobicContact CD1-CD2 3.78Å; L259-L293 HydrophobicContact CG-CD2 4.38Å; L259-F297 HydrophobicContact CB-CE1 3.94Å; L259-F297 HydrophobicContact CB-CZ 3.96Å |
| 260 | V | 97.1 | Very high | 95.2 | Very high | 27 Ų | 27 | 37.8 Ų | 37.8 | 16% | 0.164 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60 | -41.4 | 176.5 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | Y257 S258 I262 V263 Q264 F297 C328 V331 | Y257-V260 WeakPolarHBondContact O-CB 3.33Å; Y257-V260 WeakPolarHBondContact O-CG2 3.44Å; Y257-V260 PolarHBondContact O-N 3.45Å; S258-V260 VanDerWaalsContact C-N 3.3Å; V260-I262 VanDerWaalsContact C-N 3.27Å; V260-I262 PolarHBondContact O-N 3.2Å; V260-V263 PolarHBondContact O-N 3.18Å; V260-Q264 PolarHBondContact O-N 3.4Å; V260-F297 HydrophobicContact CG2-CE1 4.46Å; V260-F297 HydrophobicContact CG2-CZ 4.07Å; V260-C328 HydrophobicContact CG2-CB 4.42Å; V260-C328 VanDerWaalsContact CG2-SG 3.57Å; V260-V331 HydrophobicContact CG1-CB 4.15Å; V260-V331 HydrophobicContact CG1-CG1 4.16Å; V260-V331 HydrophobicContact CG1-CG2 4.05Å; V260-V331 HydrophobicContact CG2-CG1 4.5Å |
| 261 | S | 96.5 | Very high | 95.1 | Very high | 51 Ų | 51 | 35.9 Ų | 35.9 | 36% | 0.357 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -66.4 | -31.8 | 176.4 | 65.3 | 0 | 0 | 0 | 0 | 112.1 | S258 L259 Q264 E265 | S258-S261 PolarHBondContact O-OG 3.04Å; L259-S261 VanDerWaalsContact C-N 3.31Å; L259-S261 PolarHBondContact O-N 3.1Å; S261-Q264 WeakPolarHBondContact O-CB 3.45Å; S261-Q264 PolarHBondContact O-N 3.19Å; S261-E265 WeakPolarHBondContact O-CB 3.48Å; S261-E265 VanDerWaalsContact O-CG 3.29Å; S261-E265 WeakPolarHBondContact O-CG 3.45Å; S261-E265 PolarHBondContact O-N 2.96Å |
| 262 | I | 96.8 | Very high | 94.9 | Very high | 11 Ų | 11 | 38 Ų | 38 | 6% | 0.056 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.9 | -40.9 | 178.9 | -53.8 | -58.1 | 0 | 0 | 0 | 110.9 | R214 P216 L259 V260 Q264 E265 C266 L293 | R214-I262 HydrophobicContact CB-CD1 4.44Å; P216-I262 HydrophobicContact CG-CG2 3.78Å; L259-I262 HydrophobicContact CD2-CG1 4.37Å; L259-I262 WeakPolarHBondContact O-CB 3.33Å; L259-I262 PolarHBondContact O-N 3.14Å; L259-I262 VanDerWaalsContact O-N 3.1Å; V260-I262 VanDerWaalsContact C-N 3.27Å; V260-I262 PolarHBondContact O-N 3.2Å; I262-Q264 VanDerWaalsContact C-N 3.32Å; I262-Q264 PolarHBondContact O-N 2.89Å; I262-E265 PolarHBondContact O-N 3.44Å; I262-C266 PolarHBondContact O-N 2.93Å; I262-C266 PolarHBondContact O-SG 3.34Å; I262-L293 HydrophobicContact CG2-CD1 4.2Å |
| 263 | V | 96.5 | Very high | 94.4 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.012 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.2 | -42.8 | 173.8 | 174.7 | 0 | 0 | 0 | 0 | 111.1 | L259 V260 C266 S267 L293 F297 V331 I335 | L259-V263 PolarHBondContact O-N 2.98Å; V260-V263 PolarHBondContact O-N 3.18Å; V263-C266 PolarHBondContact O-N 3.12Å; V263-S267 PolarHBondContact O-N 2.89Å; V263-L293 HydrophobicContact CG2-CB 4.09Å; V263-L293 HydrophobicContact CG2-CD1 3.64Å; V263-F297 HydrophobicContact CG2-CE2 3.8Å; V263-F297 HydrophobicContact CG2-CZ 4.2Å; V263-V331 HydrophobicContact CB-CG2 4.42Å; V263-V331 HydrophobicContact CG1-CG2 4.18Å; V263-I335 HydrophobicContact CG1-CD1 3.54Å; V263-I335 HydrophobicContact CG1-CG1 4.13Å |
| 264 | Q | 95.4 | Very high | 93.8 | Very high | 101 Ų | 101 | 43.6 Ų | 43.6 | 47% | 0.472 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65.5 | -40.3 | 176.7 | -66.4 | 173.9 | -22.5 | 0 | 0 | 112.1 | V260 S261 I262 S267 N268 V331 | V260-Q264 PolarHBondContact O-N 3.4Å; S261-Q264 WeakPolarHBondContact O-CB 3.45Å; S261-Q264 PolarHBondContact O-N 3.19Å; I262-Q264 VanDerWaalsContact C-N 3.32Å; I262-Q264 PolarHBondContact O-N 2.89Å; Q264-S267 PolarHBondContact O-N 3.31Å; Q264-N268 WeakPolarHBondContact O-CB 3.14Å; Q264-N268 PolarHBondContact O-N 3.14Å; Q264-N268 PolarHBondContact O-ND2 3.45Å; Q264-V331 HydrophobicContact CG-CG2 3.81Å |
| 265 | E | 95.1 | Very high | 93 | Very high | 104 Ų | 104 | 42.3 Ų | 42.3 | 49% | 0.486 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 174.6 | -75.2 | 169.7 | -152.3 | 0 | 0 | 112.1 | S261 I262 N268 S269 | S261-E265 WeakPolarHBondContact O-CB 3.48Å; S261-E265 VanDerWaalsContact O-CG 3.29Å; S261-E265 WeakPolarHBondContact O-CG 3.45Å; S261-E265 PolarHBondContact O-N 2.96Å; I262-E265 PolarHBondContact O-N 3.44Å; E265-N268 PolarHBondContact O-N 3.47Å; E265-S269 WeakPolarHBondContact O-CB 3.34Å; E265-S269 PolarHBondContact O-N 2.71Å; E265-S269 PolarHBondContact O-OG 3.22Å |
| 266 | C | 95.1 | Very high | 92.3 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.014 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.5 | -48.5 | 173.5 | -66.4 | 0 | 0 | 0 | 0 | 110.5 | I262 V263 N268 S269 V270 Y286 L339 | I262-C266 PolarHBondContact O-N 2.93Å; I262-C266 PolarHBondContact O-SG 3.34Å; V263-C266 PolarHBondContact O-N 3.12Å; C266-N268 PolarHBondContact O-N 2.93Å; C266-S269 WeakPolarHBondContact O-CB 3.43Å; C266-S269 PolarHBondContact O-N 2.84Å; C266-V270 WeakPolarHBondContact O-CG2 3.38Å; C266-V270 PolarHBondContact O-N 2.93Å; C266-Y286 HydrophobicContact CB-CD1 3.96Å; C266-Y286 HydrophobicContact CB-CG 4.04Å; C266-Y286 VanDerWaalsContact SG-CD1 3.56Å; C266-L339 HydrophobicContact CB-CD2 4.25Å |
| 267 | S | 93.9 | Very high | 91.3 | Very high | 11 Ų | 11 | 51.4 Ų | 51.4 | 8% | 0.077 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.8 | -46.4 | 176.3 | -175.6 | 0 | 0 | 0 | 0 | 112.6 | V263 Q264 S269 V270 A271 P336 | V263-S267 PolarHBondContact O-N 2.89Å; Q264-S267 PolarHBondContact O-N 3.31Å; S267-S269 VanDerWaalsContact C-N 3.3Å; S267-S269 PolarHBondContact O-N 3.33Å; S267-V270 PolarHBondContact O-N 3.48Å; S267-A271 WeakPolarHBondContact O-CB 3.36Å; S267-A271 PolarHBondContact O-N 3.46Å; S267-P336 WeakPolarHBondContact OG-CD 3.44Å |
| 268 | N | 93.1 | Very high | 90.3 | Very high | 107 Ų | 107 | 56.4 Ų | 56.4 | 57% | 0.572 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -64.9 | -35.6 | 178.7 | -71.3 | -27.1 | 0 | 0 | 0 | 111.9 | Q264 E265 C266 A271 S272 | Q264-N268 WeakPolarHBondContact O-CB 3.14Å; Q264-N268 PolarHBondContact O-N 3.14Å; Q264-N268 PolarHBondContact O-ND2 3.45Å; E265-N268 PolarHBondContact O-N 3.47Å; C266-N268 PolarHBondContact O-N 2.93Å; N268-A271 PolarHBondContact O-N 2.98Å; N268-S272 WeakPolarHBondContact O-CB 3.35Å; N268-S272 PolarHBondContact O-N 3.39Å; N268-S272 PolarHBondContact O-OG 2.81Å |
| 269 | S | 91.8 | Very high | 89.7 | Confident | 36 Ų | 36 | 56.2 Ų | 56.2 | 25% | 0.252 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.5 | -48.6 | 177.1 | -62 | 0 | 0 | 0 | 0 | 110.9 | E265 C266 S267 A271 S272 A273 | E265-S269 WeakPolarHBondContact O-CB 3.34Å; E265-S269 PolarHBondContact O-N 2.71Å; E265-S269 PolarHBondContact O-OG 3.22Å; C266-S269 WeakPolarHBondContact O-CB 3.43Å; C266-S269 PolarHBondContact O-N 2.84Å; S267-S269 VanDerWaalsContact C-N 3.3Å; S267-S269 PolarHBondContact O-N 3.33Å; S269-A271 VanDerWaalsContact C-N 3.35Å; S269-A271 PolarHBondContact O-N 3.06Å; S269-S272 PolarHBondContact O-N 3.42Å; S269-S272 PolarHBondContact O-OG 3.39Å; S269-A273 PolarHBondContact O-N 2.97Å; S269-A273 VanDerWaalsContact O-N 3.16Å |
| 270 | V | 92 | Very high | 89.1 | Confident | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.012 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61.3 | -44 | 176 | 176 | 0 | 0 | 0 | 0 | 110.9 | C266 S267 S272 A273 L274 L283 Y286 P338 L339 | C266-V270 WeakPolarHBondContact O-CG2 3.38Å; C266-V270 PolarHBondContact O-N 2.93Å; S267-V270 PolarHBondContact O-N 3.48Å; V270-S272 VanDerWaalsContact C-N 3.33Å; V270-S272 PolarHBondContact O-N 2.86Å; V270-A273 PolarHBondContact O-N 3.24Å; V270-A273 VanDerWaalsContact O-N 3.16Å; V270-L274 PolarHBondContact O-N 3.16Å; V270-L283 HydrophobicContact CG1-CD1 4.11Å; V270-Y286 HydrophobicContact CG2-CD2 3.68Å; V270-Y286 HydrophobicContact CG2-CG 4.4Å; V270-P338 HydrophobicContact CG1-CG 3.77Å; V270-L339 HydrophobicContact CG1-CB 4.48Å; V270-L339 HydrophobicContact CG2-CB 4.48Å; V270-L339 HydrophobicContact CG2-CD2 4.37Å |
| 271 | A | 89.5 | Confident | 88.6 | Confident | 46 Ų | 46 | 67.2 Ų | 67.2 | 38% | 0.38 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.7 | -38.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | S267 N268 S269 A273 L274 | S267-A271 WeakPolarHBondContact O-CB 3.36Å; S267-A271 PolarHBondContact O-N 3.46Å; N268-A271 PolarHBondContact O-N 2.98Å; S269-A271 VanDerWaalsContact C-N 3.35Å; S269-A271 PolarHBondContact O-N 3.06Å; A271-A273 PolarHBondContact O-N 3.06Å; A271-L274 HydrophobicContact CB-CD1 4.39Å; A271-L274 WeakPolarHBondContact O-CB 3.38Å; A271-L274 WeakPolarHBondContact O-CD1 3.48Å; A271-L274 PolarHBondContact O-N 2.96Å |
| 272 | S | 88.9 | Confident | 88.1 | Confident | 102 Ų | 102 | 67.4 Ų | 67.4 | 71% | 0.713 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -68.4 | -22.9 | 177.1 | 77.8 | 0 | 0 | 0 | 0 | 113.4 | N268 S269 V270 | N268-S272 WeakPolarHBondContact O-CB 3.35Å; N268-S272 PolarHBondContact O-N 3.39Å; N268-S272 PolarHBondContact O-OG 2.81Å; S269-S272 PolarHBondContact O-N 3.42Å; S269-S272 PolarHBondContact O-OG 3.39Å; V270-S272 VanDerWaalsContact C-N 3.33Å; V270-S272 PolarHBondContact O-N 2.86Å |
| 273 | A | 86.1 | Confident | 87.9 | Confident | 10 Ų | 10 | 67.9 Ų | 67.9 | 8% | 0.083 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 0.2 | -179 | 0 | 0 | 0 | 0 | 0 | 114 | S269 V270 A271 G275 S276 Q279 | S269-A273 PolarHBondContact O-N 2.97Å; S269-A273 VanDerWaalsContact O-N 3.16Å; V270-A273 PolarHBondContact O-N 3.24Å; V270-A273 VanDerWaalsContact O-N 3.16Å; A271-A273 PolarHBondContact O-N 3.06Å; A273-G275 PolarHBondContact O-N 2.91Å; A273-S276 WeakPolarHBondContact O-CB 3.39Å; A273-S276 PolarHBondContact O-N 3.1Å; A273-S276 PolarHBondContact O-OG 2.89Å; A273-Q279 WeakPolarHBondContact O-CB 3.2Å |
| 274 | L | 82.1 | Confident | 87.6 | Confident | 109 Ų | 109 | 72.3 Ų | 72.3 | 57% | 0.571 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.6 | 119 | 177.9 | -90.1 | 156.4 | 0 | 0 | 0 | 111.6 | V270 A271 | V270-L274 PolarHBondContact O-N 3.16Å; A271-L274 HydrophobicContact CB-CD1 4.39Å; A271-L274 WeakPolarHBondContact O-CB 3.38Å; A271-L274 WeakPolarHBondContact O-CD1 3.48Å; A271-L274 PolarHBondContact O-N 2.96Å |
| 275 | G | 77.9 | Confident | 87.5 | Confident | 79 Ų | 79 | 70 Ų | 70 | 81% | 0.814 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.7 | 3.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | A273 | A273-G275 PolarHBondContact O-N 2.91Š|
| 276 | S | 82.4 | Confident | 87.5 | Confident | 49 Ų | 49 | 66 Ų | 66 | 34% | 0.343 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -95.4 | 155.9 | 174.6 | 75.8 | 0 | 0 | 0 | 0 | 112.4 | A273 Q278 Q279 | A273-S276 WeakPolarHBondContact O-CB 3.39Å; A273-S276 PolarHBondContact O-N 3.1Å; A273-S276 PolarHBondContact O-OG 2.89Å; S276-Q278 PolarHBondContact O-N 3.12Å; S276-Q279 WeakPolarHBondContact O-CB 3.33Å; S276-Q279 PolarHBondContact O-N 3.32Å; S276-Q279 VanDerWaalsContact O-N 3.13Å; S276-Q279 PolarHBondContact OG-N 3.17Å |
| 277 | I | 76.4 | Confident | 87.5 | Confident | 167 Ų | 167 | 68.7 Ų | 68.7 | 86% | 0.856 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -30.2 | 174.3 | -62.7 | 169.5 | 0 | 0 | 0 | 111.2 | Q279 | I277-Q279 PolarHBondContact O-N 3.33Š|
| 278 | Q | 77 | Confident | 87.4 | Confident | 124 Ų | 124 | 71.1 Ų | 71.1 | 58% | 0.579 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -11.4 | 178.6 | -68.1 | 177.2 | -20.2 | 0 | 0 | 113.2 | S276 Q280 E281 Q282 | S276-Q278 PolarHBondContact O-N 3.12Å; Q278-Q280 PolarHBondContact O-N 3.1Å; Q278-E281 PolarHBondContact O-N 3.24Å; Q278-Q282 WeakPolarHBondContact O-CB 3.47Å; Q278-Q282 WeakPolarHBondContact O-CG 3.48Å; Q278-Q282 PolarHBondContact O-N 2.88Å |
| 279 | Q | 82.5 | Confident | 87.6 | Confident | 40 Ų | 40 | 66.4 Ų | 66.4 | 19% | 0.187 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.5 | -44.6 | -176.4 | -170.9 | -177.4 | -3 | 0 | 0 | 112.4 | A273 S276 I277 L283 | A273-Q279 WeakPolarHBondContact O-CB 3.2Å; S276-Q279 WeakPolarHBondContact O-CB 3.33Å; S276-Q279 PolarHBondContact O-N 3.32Å; S276-Q279 VanDerWaalsContact O-N 3.13Å; S276-Q279 PolarHBondContact OG-N 3.17Å; I277-Q279 PolarHBondContact O-N 3.33Å; Q279-L283 WeakPolarHBondContact O-CB 3.41Å; Q279-L283 PolarHBondContact O-N 3.35Å |
| 280 | Q | 85.4 | Confident | 87.8 | Confident | 109 Ų | 109 | 64.8 Ų | 64.8 | 51% | 0.509 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -68.1 | -45.5 | -176.3 | -169.4 | 66.5 | 26.4 | 0 | 0 | 111.6 | Q278 Q282 L283 E284 | Q278-Q280 PolarHBondContact O-N 3.1Å; Q280-Q282 VanDerWaalsContact C-N 3.32Å; Q280-Q282 PolarHBondContact O-N 3.31Å; Q280-L283 PolarHBondContact O-N 2.84Å; Q280-E284 PolarHBondContact NE2-OE1 2.87Å; Q280-E284 WeakPolarHBondContact O-CG 3.4Å; Q280-E284 PolarHBondContact O-N 3.32Å |
| 281 | E | 85.4 | Confident | 88.1 | Confident | 149 Ų | 149 | 66.7 Ų | 66.7 | 70% | 0.696 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -62.2 | -41.2 | 178.4 | -66 | 178.1 | 169.4 | 0 | 0 | 111.5 | Q278 L285 | Q278-E281 PolarHBondContact O-N 3.24Å; E281-L285 VanDerWaalsContact O-CB 3.31Å; E281-L285 WeakPolarHBondContact O-CB 3.45Å; E281-L285 PolarHBondContact O-N 3.1Å; E281-L285 VanDerWaalsContact O-N 3.12Å |
| 282 | Q | 87.8 | Confident | 88.4 | Confident | 55 Ų | 55 | 65.2 Ų | 65.2 | 26% | 0.257 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -68.3 | -37.3 | 174.9 | -73.3 | -173.9 | -22.2 | 0 | 0 | 112.5 | Q278 Q280 Y286 | Q278-Q282 WeakPolarHBondContact O-CB 3.47Å; Q278-Q282 WeakPolarHBondContact O-CG 3.48Å; Q278-Q282 PolarHBondContact O-N 2.88Å; Q280-Q282 VanDerWaalsContact C-N 3.32Å; Q280-Q282 PolarHBondContact O-N 3.31Å; Q282-Y286 HydrophobicContact CB-CD2 4.22Å; Q282-Y286 HydrophobicContact CB-CE2 4.18Å; Q282-Y286 HydrophobicContact CG-CE2 4.47Å; Q282-Y286 WeakPolarHBondContact O-CB 3.48Å; Q282-Y286 WeakPolarHBondContact O-CD2 3.42Å; Q282-Y286 PolarHBondContact O-N 3.29Å |
| 283 | L | 91.1 | Very high | 88.9 | Confident | 22 Ų | 22 | 60.3 Ų | 60.3 | 12% | 0.115 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.3 | -51.2 | 177.6 | 177.3 | 61 | 0 | 0 | 0 | 111.1 | V270 Q279 Q280 L285 Y286 K287 P338 L339 | V270-L283 HydrophobicContact CG1-CD1 4.11Å; Q279-L283 WeakPolarHBondContact O-CB 3.41Å; Q279-L283 PolarHBondContact O-N 3.35Å; Q280-L283 PolarHBondContact O-N 2.84Å; L283-L285 PolarHBondContact O-N 3.46Å; L283-Y286 PolarHBondContact O-N 3.19Å; L283-K287 VanDerWaalsContact O-CB 3.25Å; L283-K287 WeakPolarHBondContact O-CB 3.32Å; L283-K287 PolarHBondContact O-N 2.86Å; L283-P338 HydrophobicContact CD1-CB 4.28Å; L283-P338 HydrophobicContact CD1-CG 4.19Å; L283-P338 HydrophobicContact CD2-CB 4.09Å; L283-P338 HydrophobicContact CD2-CG 4.27Å; L283-L339 HydrophobicContact CD1-CB 4.34Å; L283-L339 HydrophobicContact CD1-CD1 4.23Å |
| 284 | E | 91 | Very high | 89.4 | Confident | 94 Ų | 94 | 59.9 Ų | 59.9 | 44% | 0.439 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.6 | -49.6 | 177.4 | -65.7 | -56.5 | 148.5 | 0 | 0 | 110.8 | Q280 Y286 K287 D288 | Q280-E284 PolarHBondContact NE2-OE1 2.87Å; Q280-E284 WeakPolarHBondContact O-CG 3.4Å; Q280-E284 PolarHBondContact O-N 3.32Å; E284-Y286 PolarHBondContact O-N 3.15Å; E284-K287 WeakPolarHBondContact O-CB 3.49Å; E284-K287 PolarHBondContact O-N 3.43Å; E284-D288 PolarHBondContact O-N 2.94Å |
| 285 | L | 93.3 | Very high | 90.2 | Very high | 52 Ų | 52 | 58.8 Ų | 58.8 | 27% | 0.272 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -54.2 | -54.1 | 177.4 | 175.1 | 65.6 | 0 | 0 | 0 | 111.4 | E281 L283 K287 D288 R289 | E281-L285 VanDerWaalsContact O-CB 3.31Å; E281-L285 WeakPolarHBondContact O-CB 3.45Å; E281-L285 PolarHBondContact O-N 3.1Å; E281-L285 VanDerWaalsContact O-N 3.12Å; L283-L285 PolarHBondContact O-N 3.46Å; L285-K287 VanDerWaalsContact C-N 3.33Å; L285-K287 PolarHBondContact O-N 3.1Å; L285-D288 PolarHBondContact O-N 3.06Å; L285-R289 VanDerWaalsContact O-CG 3.22Å; L285-R289 WeakPolarHBondContact O-CG 3.46Å; L285-R289 PolarHBondContact O-N 3.03Å |
| 286 | Y | 95.4 | Very high | 91.2 | Very high | 20 Ų | 20 | 55 Ų | 55 | 8% | 0.078 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -74.3 | -23.3 | -175.6 | -67.7 | -48.1 | 0 | 0 | 0 | 113.1 | P216 C266 V270 Q282 L283 E284 R289 C290 | P216-Y286 HydrophobicContact CB-CE1 4.48Å; P216-Y286 HydrophobicContact CG-CE1 4.42Å; C266-Y286 HydrophobicContact CB-CD1 3.96Å; C266-Y286 HydrophobicContact CB-CG 4.04Å; C266-Y286 VanDerWaalsContact SG-CD1 3.56Å; V270-Y286 HydrophobicContact CG2-CD2 3.68Å; V270-Y286 HydrophobicContact CG2-CG 4.4Å; Q282-Y286 HydrophobicContact CB-CD2 4.22Å; Q282-Y286 HydrophobicContact CB-CE2 4.18Å; Q282-Y286 HydrophobicContact CG-CE2 4.47Å; Q282-Y286 WeakPolarHBondContact O-CB 3.48Å; Q282-Y286 WeakPolarHBondContact O-CD2 3.42Å; Q282-Y286 PolarHBondContact O-N 3.29Å; L283-Y286 PolarHBondContact O-N 3.19Å; E284-Y286 PolarHBondContact O-N 3.15Å; Y286-R289 PolarHBondContact O-N 2.58Å; Y286-C290 VanDerWaalsContact O-CB 3.32Å; Y286-C290 WeakPolarHBondContact O-CB 3.27Å; Y286-C290 PolarHBondContact O-N 2.91Å; Y286-C290 PolarHBondContact O-SG 3.26Å; Y286-C290 VanDerWaalsContact O-SG 3.41Å |
| 287 | K | 94.1 | Very high | 92 | Very high | 60 Ų | 60 | 52.7 Ų | 52.7 | 26% | 0.261 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.3 | -50.4 | 170.5 | -171 | 177 | -176.9 | 178.8 | 0 | 110 | L283 E284 L285 R289 C290 T291 L339 E343 | L283-K287 VanDerWaalsContact O-CB 3.25Å; L283-K287 WeakPolarHBondContact O-CB 3.32Å; L283-K287 PolarHBondContact O-N 2.86Å; E284-K287 WeakPolarHBondContact O-CB 3.49Å; E284-K287 PolarHBondContact O-N 3.43Å; L285-K287 VanDerWaalsContact C-N 3.33Å; L285-K287 PolarHBondContact O-N 3.1Å; K287-R289 VanDerWaalsContact C-N 3.32Å; K287-R289 PolarHBondContact O-N 2.89Å; K287-C290 PolarHBondContact O-N 3.46Å; K287-T291 WeakPolarHBondContact O-CB 3.3Å; K287-T291 PolarHBondContact O-N 3.36Å; K287-T291 PolarHBondContact O-OG1 2.81Å; K287-L339 HydrophobicContact CB-CD1 4.42Å; K287-E343 IonicContact NZ-OE1 3.93Å; K287-E343 PolarHBondContact NZ-OE1 3.25Å |
| 288 | D | 93 | Very high | 93 | Very high | 62 Ų | 62 | 45.2 Ų | 45.2 | 33% | 0.332 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61 | -40.1 | 178.1 | -65.4 | -23.7 | 0 | 0 | 0 | 112.6 | E284 L285 T291 C292 | E284-D288 PolarHBondContact O-N 2.94Å; L285-D288 PolarHBondContact O-N 3.06Å; D288-T291 PolarHBondContact O-N 3.2Å; D288-C292 PolarHBondContact O-N 3Å; D288-C292 PolarHBondContact O-SG 2.78Å; D288-C292 VanDerWaalsContact O-SG 3.38Å |
| 289 | R | 95.9 | Very high | 93.9 | Very high | 7 Ų | 7 | 40.3 Ų | 40.3 | 3% | 0.026 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.1 | -46.2 | 179.9 | -57.5 | -66.1 | 174.5 | -92 | -0 | 111.3 | P216 T219 E221 F224 L285 Y286 K287 T291 C292 L293 | P216-R289 HydrophobicContact CB-CB 4.04Å; P216-R289 HydrophobicContact CB-CG 3.79Å; P216-R289 PolarHBondContact O-NE 2.57Å; T219-R289 PolarHBondContact O-NH2 2.99Å; E221-R289 VanDerWaalsContact CA-NH2 3.29Å; F224-R289 VanDerWaalsContact CD1-CD 3.41Å; F224-R289 HydrophobicContact CE1-CB 4.08Å; F224-R289 HydrophobicContact CE1-CG 4.39Å; F224-R289 VanDerWaalsContact CG-CD 3.43Å; F224-R289 HydrophobicContact CZ-CB 4.08Å; F224-R289 HydrophobicContact CZ-CG 4.4Å; L285-R289 VanDerWaalsContact O-CG 3.22Å; L285-R289 WeakPolarHBondContact O-CG 3.46Å; L285-R289 PolarHBondContact O-N 3.03Å; Y286-R289 PolarHBondContact O-N 2.58Å; K287-R289 VanDerWaalsContact C-N 3.32Å; K287-R289 PolarHBondContact O-N 2.89Å; R289-T291 VanDerWaalsContact C-N 3.32Å; R289-T291 PolarHBondContact O-N 3.17Å; R289-C292 PolarHBondContact O-N 3.2Å; R289-L293 WeakPolarHBondContact O-CG 3.39Å; R289-L293 PolarHBondContact O-N 3.48Å; R289-L293 VanDerWaalsContact O-N 3.1Å |
| 290 | C | 97 | Very high | 94.6 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.02 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.2 | -34.8 | 177 | -75.2 | 0 | 0 | 0 | 0 | 112.2 | Y286 K287 L293 A294 L344 | Y286-C290 VanDerWaalsContact O-CB 3.32Å; Y286-C290 WeakPolarHBondContact O-CB 3.27Å; Y286-C290 PolarHBondContact O-N 2.91Å; Y286-C290 PolarHBondContact O-SG 3.26Å; Y286-C290 VanDerWaalsContact O-SG 3.41Å; K287-C290 PolarHBondContact O-N 3.46Å; C290-L293 PolarHBondContact O-N 3.02Å; C290-A294 VanDerWaalsContact O-CB 3.28Å; C290-A294 WeakPolarHBondContact O-CB 3.28Å; C290-A294 PolarHBondContact O-N 2.82Å; C290-L344 HydrophobicContact CB-CD1 4.12Å; C290-L344 HydrophobicContact CB-CD2 3.92Å |
| 291 | T | 97 | Very high | 95.1 | Very high | 42 Ų | 42 | 33.2 Ų | 33.2 | 26% | 0.258 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -57 | -50.5 | 172.4 | -66.5 | 0 | 0 | 0 | 0 | 111.4 | K287 D288 R289 L293 A294 H295 I347 | K287-T291 WeakPolarHBondContact O-CB 3.3Å; K287-T291 PolarHBondContact O-N 3.36Å; K287-T291 PolarHBondContact O-OG1 2.81Å; D288-T291 PolarHBondContact O-N 3.2Å; R289-T291 VanDerWaalsContact C-N 3.32Å; R289-T291 PolarHBondContact O-N 3.17Å; T291-L293 PolarHBondContact O-N 3.42Å; T291-A294 PolarHBondContact O-N 3.4Å; T291-H295 PolarHBondContact O-CD2 2.64Å; T291-H295 PolarHBondContact O-N 3.37Å; T291-H295 VanDerWaalsContact O-N 3.07Å; T291-I347 HydrophobicContact CG2-CD1 3.82Å |
| 292 | C | 97.5 | Very high | 95.5 | Very high | 14 Ų | 14 | 28.6 Ų | 28.6 | 10% | 0.095 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -58.6 | -46.6 | 176.3 | -68 | 0 | 0 | 0 | 0 | 112.1 | F224 D288 R289 A294 H295 I296 | F224-C292 HydrophobicContact CD1-CB 4.12Å; F224-C292 HydrophobicContact CE1-CB 3.73Å; D288-C292 PolarHBondContact O-N 3Å; D288-C292 PolarHBondContact O-SG 2.78Å; D288-C292 VanDerWaalsContact O-SG 3.38Å; R289-C292 PolarHBondContact O-N 3.2Å; C292-A294 PolarHBondContact O-N 3.43Å; C292-H295 PolarHBondContact O-N 2.82Å; C292-I296 WeakPolarHBondContact O-CG1 3.45Å; C292-I296 PolarHBondContact O-N 3.12Å; C292-I296 VanDerWaalsContact O-N 3.13Å |
| 293 | L | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.1 | -38.8 | 179.6 | -65.3 | 177.6 | 0 | 0 | 0 | 112.3 | F224 L259 I262 V263 R289 C290 T291 H295 I296 F297 | F224-L293 HydrophobicContact CZ-CD2 4.44Å; F224-L293 HydrophobicContact CZ-CG 4.44Å; L259-L293 HydrophobicContact CB-CD2 4.17Å; L259-L293 HydrophobicContact CD1-CD2 3.78Å; L259-L293 HydrophobicContact CG-CD2 4.38Å; I262-L293 HydrophobicContact CG2-CD1 4.2Å; V263-L293 HydrophobicContact CG2-CB 4.09Å; V263-L293 HydrophobicContact CG2-CD1 3.64Å; R289-L293 WeakPolarHBondContact O-CG 3.39Å; R289-L293 PolarHBondContact O-N 3.48Å; R289-L293 VanDerWaalsContact O-N 3.1Å; C290-L293 PolarHBondContact O-N 3.02Å; T291-L293 PolarHBondContact O-N 3.42Å; L293-H295 PolarHBondContact O-N 3.32Å; L293-I296 PolarHBondContact O-N 3.48Å; L293-F297 VanDerWaalsContact O-CG 3.25Å; L293-F297 WeakPolarHBondContact O-CG 3.25Å; L293-F297 PolarHBondContact O-N 2.99Å |
| 294 | A | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63 | -40 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | C290 T291 C292 F297 S298 V332 L344 I347 | C290-A294 VanDerWaalsContact O-CB 3.28Å; C290-A294 WeakPolarHBondContact O-CB 3.28Å; C290-A294 PolarHBondContact O-N 2.82Å; T291-A294 PolarHBondContact O-N 3.4Å; C292-A294 PolarHBondContact O-N 3.43Å; A294-F297 PolarHBondContact O-N 2.93Å; A294-S298 VanDerWaalsContact O-CB 3.26Å; A294-S298 WeakPolarHBondContact O-CB 3.38Å; A294-S298 PolarHBondContact O-N 2.85Å; A294-V332 HydrophobicContact CB-CG1 3.92Å; A294-V332 HydrophobicContact CB-CG2 4.03Å; A294-L344 HydrophobicContact CB-CD1 3.73Å; A294-I347 HydrophobicContact CB-CB 4.21Å; A294-I347 HydrophobicContact CB-CD1 4.17Å; A294-I347 HydrophobicContact CB-CG2 3.78Å |
| 295 | H | 98.3 | Very high | 95.9 | Very high | 86 Ų | 86 | 23.4 Ų | 23.4 | 40% | 0.398 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -61.9 | -42.6 | 172.7 | -77.8 | -65.8 | 0 | 0 | 0 | 111.9 | L232 T291 C292 L293 S298 S299 I347 | L232-H295 HydrophobicContact CD1-CB 4.15Å; L232-H295 HydrophobicContact CD2-CB 4.29Å; L232-H295 WeakPolarHBondContact CD2-O 3.22Å; T291-H295 PolarHBondContact O-CD2 2.64Å; T291-H295 PolarHBondContact O-N 3.37Å; T291-H295 VanDerWaalsContact O-N 3.07Å; C292-H295 PolarHBondContact O-N 2.82Å; L293-H295 PolarHBondContact O-N 3.32Å; H295-S298 PolarHBondContact O-N 3.42Å; H295-S299 VanDerWaalsContact O-CB 3.27Å; H295-S299 WeakPolarHBondContact O-CB 3.24Å; H295-S299 PolarHBondContact O-N 3.27Å; H295-I347 HydrophobicContact CB-CG2 4.49Å |
| 296 | I | 98.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.7 | -46.4 | 176 | -67.4 | 171 | 0 | 0 | 0 | 110.7 | L213 V231 L232 L235 I256 C292 L293 S299 L300 | L213-I296 HydrophobicContact CD1-CD1 3.86Å; L213-I296 HydrophobicContact CD2-CD1 4.43Å; V231-I296 HydrophobicContact CB-CD1 4.42Å; V231-I296 HydrophobicContact CG1-CD1 4.2Å; V231-I296 HydrophobicContact CG1-CG1 4.26Å; V231-I296 HydrophobicContact CG1-CG2 4.15Å; L232-I296 HydrophobicContact CD2-CG1 4.17Å; L232-I296 HydrophobicContact CG-CG1 4.28Å; L235-I296 HydrophobicContact CD1-CG2 4.28Å; I256-I296 HydrophobicContact CB-CG2 4.48Å; I256-I296 HydrophobicContact CD1-CG2 3.78Å; I256-I296 HydrophobicContact CG1-CG2 3.75Å; I256-I296 HydrophobicContact CG2-CG2 3.88Å; C292-I296 WeakPolarHBondContact O-CG1 3.45Å; C292-I296 PolarHBondContact O-N 3.12Å; C292-I296 VanDerWaalsContact O-N 3.13Å; L293-I296 PolarHBondContact O-N 3.48Å; I296-S299 PolarHBondContact O-N 3.44Å; I296-L300 WeakPolarHBondContact O-CB 3.3Å; I296-L300 PolarHBondContact O-N 3.24Å |
| 297 | F | 98.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.9 | -44.9 | 178.3 | -64.7 | -21.2 | 0 | 0 | 0 | 112.5 | I256 L259 V260 V263 L293 A294 S299 L300 A301 C328 I329 V331 V332 | I256-F297 HydrophobicContact CG2-CD1 3.59Å; I256-F297 HydrophobicContact CG2-CE1 3.72Å; L259-F297 HydrophobicContact CB-CE1 3.94Å; L259-F297 HydrophobicContact CB-CZ 3.96Å; V260-F297 HydrophobicContact CG2-CE1 4.46Å; V260-F297 HydrophobicContact CG2-CZ 4.07Å; V263-F297 HydrophobicContact CG2-CE2 3.8Å; V263-F297 HydrophobicContact CG2-CZ 4.2Å; L293-F297 VanDerWaalsContact O-CG 3.25Å; L293-F297 WeakPolarHBondContact O-CG 3.25Å; L293-F297 PolarHBondContact O-N 2.99Å; A294-F297 PolarHBondContact O-N 2.93Å; F297-S299 VanDerWaalsContact C-N 3.35Å; F297-S299 PolarHBondContact O-N 3.28Å; F297-L300 PolarHBondContact O-N 2.73Å; F297-A301 WeakPolarHBondContact O-CB 3.39Å; F297-A301 PolarHBondContact O-N 2.74Å; F297-C328 HydrophobicContact CB-CB 3.92Å; F297-C328 HydrophobicContact CD1-CB 3.83Å; F297-C328 HydrophobicContact CD2-CB 4.14Å; F297-C328 WeakPolarHBondContact CD2-O 3.41Å; F297-C328 HydrophobicContact CE1-CB 4.35Å; F297-C328 HydrophobicContact CG-CB 3.72Å; F297-I329 HydrophobicContact CB-CD1 4.41Å; F297-V331 HydrophobicContact CD2-CG1 4.33Å; F297-V331 HydrophobicContact CE2-CG1 3.85Å; F297-V332 HydrophobicContact CD2-CG2 3.74Å; F297-V332 HydrophobicContact CE2-CG2 4.31Å |
| 298 | S | 97.9 | Very high | 95.3 | Very high | 10 Ų | 10 | 21.5 Ų | 21.5 | 7% | 0.07 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.3 | -42.6 | 175.8 | -171 | 0 | 0 | 0 | 0 | 111.5 | A294 H295 A301 R302 I347 A351 | A294-S298 VanDerWaalsContact O-CB 3.26Å; A294-S298 WeakPolarHBondContact O-CB 3.38Å; A294-S298 PolarHBondContact O-N 2.85Å; H295-S298 PolarHBondContact O-N 3.42Å; S298-A301 PolarHBondContact O-N 2.91Å; S298-R302 WeakPolarHBondContact O-CG 3.48Å; S298-R302 PolarHBondContact O-N 2.97Å; S298-R302 VanDerWaalsContact O-N 3.09Å; S298-I347 PolarHBondContact OG-O 2.99Å; S298-A351 WeakPolarHBondContact OG-CB 3.45Å |
| 299 | S | 96.4 | Very high | 95.2 | Very high | 22 Ų | 22 | 18.7 Ų | 18.7 | 15% | 0.154 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67.4 | -40.2 | 176.6 | -170 | 0 | 0 | 0 | 0 | 112.8 | H295 I296 F297 R302 T303 | H295-S299 VanDerWaalsContact O-CB 3.27Å; H295-S299 WeakPolarHBondContact O-CB 3.24Å; H295-S299 PolarHBondContact O-N 3.27Å; I296-S299 PolarHBondContact O-N 3.44Å; F297-S299 VanDerWaalsContact C-N 3.35Å; F297-S299 PolarHBondContact O-N 3.28Å; S299-R302 PolarHBondContact O-N 3.3Å; S299-T303 WeakPolarHBondContact O-CB 3.43Å; S299-T303 PolarHBondContact O-N 2.95Å; S299-T303 PolarHBondContact O-OG1 3.45Å |
| 300 | L | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -60.5 | -49.1 | 174.4 | 179.5 | 67 | 0 | 0 | 0 | 110.9 | L235 Q253 I256 Y257 I296 F297 R302 T303 L304 T325 | L235-L300 HydrophobicContact CD1-CB 4.45Å; L235-L300 HydrophobicContact CD2-CD1 3.93Å; Q253-L300 HydrophobicContact CB-CD1 4.36Å; I256-L300 HydrophobicContact CB-CD2 4.03Å; I256-L300 HydrophobicContact CD1-CB 4.34Å; I256-L300 HydrophobicContact CD1-CD1 4.12Å; I256-L300 HydrophobicContact CD1-CD2 4.32Å; I256-L300 HydrophobicContact CD1-CG 4.49Å; I256-L300 HydrophobicContact CG2-CD2 3.6Å; Y257-L300 HydrophobicContact CD1-CD2 4.35Å; Y257-L300 HydrophobicContact CE1-CD2 4.01Å; I296-L300 WeakPolarHBondContact O-CB 3.3Å; I296-L300 PolarHBondContact O-N 3.24Å; F297-L300 PolarHBondContact O-N 2.73Å; L300-R302 VanDerWaalsContact C-N 3.26Å; L300-R302 PolarHBondContact O-N 2.65Å; L300-T303 PolarHBondContact O-N 3.47Å; L300-T303 VanDerWaalsContact O-N 3.08Å; L300-L304 HydrophobicContact CD1-CD1 3.61Å; L300-L304 HydrophobicContact CD1-CG 3.99Å; L300-L304 HydrophobicContact CD2-CD1 4.43Å; L300-L304 HydrophobicContact CG-CD1 3.86Å; L300-L304 HydrophobicContact CG-CG 4.44Å; L300-L304 PolarHBondContact O-N 2.75Å; L300-T325 HydrophobicContact CD2-CG2 4.32Å; L300-T325 HydrophobicContact CG-CG2 4.21Å |
| 301 | A | 95.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -58.3 | -38.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F297 S298 R305 T325 I329 A351 L355 | F297-A301 WeakPolarHBondContact O-CB 3.39Å; F297-A301 PolarHBondContact O-N 2.74Å; S298-A301 PolarHBondContact O-N 2.91Å; A301-R305 WeakPolarHBondContact O-CA 3.46Å; A301-R305 WeakPolarHBondContact O-CB 3.17Å; A301-R305 PolarHBondContact O-N 3.43Å; A301-R305 VanDerWaalsContact O-N 3.08Å; A301-T325 HydrophobicContact CB-CG2 3.91Å; A301-I329 HydrophobicContact CB-CD1 4.06Å; A301-I329 HydrophobicContact CB-CG1 4.16Å; A301-A351 HydrophobicContact CB-CB 4.17Å; A301-L355 HydrophobicContact CB-CD1 4.21Å |
| 302 | R | 94.5 | Very high | 94 | Very high | 52 Ų | 52 | 28.3 Ų | 28.3 | 20% | 0.196 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -70.9 | -34.7 | 174.7 | -73.8 | 173.4 | 50.1 | 74.6 | -10.7 | 113.7 | S298 S299 L300 R305 H350 A351 S354 | S298-R302 WeakPolarHBondContact O-CG 3.48Å; S298-R302 PolarHBondContact O-N 2.97Å; S298-R302 VanDerWaalsContact O-N 3.09Å; S299-R302 PolarHBondContact O-N 3.3Å; L300-R302 VanDerWaalsContact C-N 3.26Å; L300-R302 PolarHBondContact O-N 2.65Å; R302-R305 VanDerWaalsContact O-CB 3.26Å; R302-R305 WeakPolarHBondContact O-CB 3.18Å; R302-H350 VanDerWaalsContact CZ-CD2 3.44Å; R302-H350 PolarHBondContact NH1-CD2 3.31Å; R302-H350 VanDerWaalsContact NH1-CD2 3.31Å; R302-H350 PolarHBondContact NH1-NE2 3.48Å; R302-H350 PolarHBondContact NH2-NE2 3.32Å; R302-A351 HydrophobicContact CG-CB 3.99Å; R302-S354 PolarHBondContact NH1-OG 3.02Å |
| 303 | T | 93.2 | Very high | 93.7 | Very high | 13 Ų | 13 | 29.9 Ų | 29.9 | 8% | 0.08 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -71.5 | -42 | 178.6 | -57.4 | 0 | 0 | 0 | 0 | 110.7 | L235 C238 K239 L249 S299 L300 R305 | L235-T303 PolarHBondContact O-OG1 3.35Å; C238-T303 HydrophobicContact CB-CG2 3.95Å; K239-T303 HydrophobicContact CB-CG2 4.39Å; L249-T303 HydrophobicContact CD1-CG2 3.74Å; L249-T303 HydrophobicContact CD2-CG2 4.38Å; S299-T303 WeakPolarHBondContact O-CB 3.43Å; S299-T303 PolarHBondContact O-N 2.95Å; S299-T303 PolarHBondContact O-OG1 3.45Å; L300-T303 PolarHBondContact O-N 3.47Å; L300-T303 VanDerWaalsContact O-N 3.08Å; T303-R305 VanDerWaalsContact C-N 3.26Å; T303-R305 PolarHBondContact O-N 3.03Å |
| 304 | L | 92.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -85.4 | 8.6 | 176.4 | -62.3 | 177.7 | 0 | 0 | 0 | 113.4 | L249 Q253 L300 P307 L308 F320 T325 | L249-L304 HydrophobicContact CD1-CD2 4.13Å; L249-L304 HydrophobicContact CD2-CD2 3.86Å; L249-L304 HydrophobicContact CG-CD2 4.09Å; Q253-L304 HydrophobicContact CG-CD1 3.91Å; L300-L304 HydrophobicContact CD1-CD1 3.61Å; L300-L304 HydrophobicContact CD1-CG 3.99Å; L300-L304 HydrophobicContact CD2-CD1 4.43Å; L300-L304 HydrophobicContact CG-CD1 3.86Å; L300-L304 HydrophobicContact CG-CG 4.44Å; L300-L304 PolarHBondContact O-N 2.75Å; L304-P307 HydrophobicContact CB-CG 4.42Å; L304-P307 HydrophobicContact CD2-CG 4.44Å; L304-P307 WeakPolarHBondContact O-CD 3.33Å; L304-P307 VanDerWaalsContact O-CG 3.22Å; L304-P307 WeakPolarHBondContact O-CG 3.3Å; L304-L308 HydrophobicContact CB-CD1 3.99Å; L304-L308 HydrophobicContact CB-CG 4.21Å; L304-L308 WeakPolarHBondContact O-CB 3.19Å; L304-L308 WeakPolarHBondContact O-CD1 3.32Å; L304-L308 WeakPolarHBondContact O-CG 3.23Å; L304-L308 PolarHBondContact O-N 2.96Å; L304-F320 HydrophobicContact CD2-CB 3.91Å; L304-F320 HydrophobicContact CD2-CD1 3.75Å; L304-F320 HydrophobicContact CD2-CG 4.15Å; L304-T325 HydrophobicContact CD1-CG2 4.28Å; L304-T325 WeakPolarHBondContact CD1-OG1 3.31Å |
| 305 | R | 91.7 | Very high | 93.1 | Very high | 48 Ų | 48 | 37.6 Ų | 37.6 | 18% | 0.181 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.2 | -48.4 | -175.4 | -176.5 | 179.1 | 76 | -160.8 | 8.7 | 113.5 | A301 R302 T303 L308 V309 L355 D358 | A301-R305 WeakPolarHBondContact O-CA 3.46Å; A301-R305 WeakPolarHBondContact O-CB 3.17Å; A301-R305 PolarHBondContact O-N 3.43Å; A301-R305 VanDerWaalsContact O-N 3.08Å; R302-R305 VanDerWaalsContact O-CB 3.26Å; R302-R305 WeakPolarHBondContact O-CB 3.18Å; T303-R305 VanDerWaalsContact C-N 3.26Å; T303-R305 PolarHBondContact O-N 3.03Å; R305-L308 PolarHBondContact O-N 2.87Å; R305-V309 WeakPolarHBondContact O-CG2 3.2Å; R305-V309 PolarHBondContact O-N 3.37Å; R305-V309 VanDerWaalsContact O-N 3.17Å; R305-L355 HydrophobicContact CB-CD2 4.22Å; R305-L355 HydrophobicContact CG-CD2 3.75Å; R305-L355 HydrophobicContact CG-CG 4.16Å; R305-D358 VanDerWaalsContact CD-OD2 3.26Å; R305-D358 WeakPolarHBondContact CD-OD2 3.49Å; R305-D358 IonicContact CZ-OD2 2.85Å; R305-D358 IonicContact NE-OD2 2.66Å; R305-D358 PolarHBondContact NE-OD2 2.83Å; R305-D358 IonicContact NH2-OD2 3.52Å; R305-D358 PolarHBondContact NH2-OD2 2.91Å |
| 306 | P | 89.3 | Confident | 92.8 | Very high | 56 Ų | 56 | 35.8 Ų | 35.8 | 36% | 0.364 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -57.4 | -53.5 | 176.8 | -21 | 31.2 | 0 | 0 | 0 | 113.7 | L308 V309 D310 | P306-L308 VanDerWaalsContact C-N 3.34Å; P306-L308 PolarHBondContact O-N 2.83Å; P306-V309 PolarHBondContact O-N 3.16Å; P306-V309 VanDerWaalsContact O-N 3.17Å; P306-D310 WeakPolarHBondContact O-CB 3.42Å; P306-D310 VanDerWaalsContact O-CG 3.29Å; P306-D310 PolarHBondContact O-N 3.24Å |
| 307 | P | 90.5 | Very high | 92.4 | Very high | 36 Ų | 36 | 38.8 Ų | 38.8 | 23% | 0.234 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.4 | -28.7 | 179.5 | 24.2 | -32.6 | 0 | 0 | 0 | 114.1 | L304 V309 Q311 F320 | L304-P307 HydrophobicContact CB-CG 4.42Å; L304-P307 HydrophobicContact CD2-CG 4.44Å; L304-P307 WeakPolarHBondContact O-CD 3.33Å; L304-P307 VanDerWaalsContact O-CG 3.22Å; L304-P307 WeakPolarHBondContact O-CG 3.3Å; P307-V309 VanDerWaalsContact C-N 3.29Å; P307-V309 PolarHBondContact O-N 3.38Å; P307-Q311 CarbonylContact O-C 3.5Å; P307-Q311 WeakPolarHBondContact O-CA 3.42Å; P307-Q311 PolarHBondContact O-N 2.91Å; P307-F320 HydrophobicContact CB-CB 3.8Å; P307-F320 HydrophobicContact CG-CB 3.66Å |
| 308 | L | 91.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.3 | -32.9 | 173.2 | -74.3 | 168.5 | 0 | 0 | 0 | 112.7 | L304 R305 P306 P312 L323 T325 L355 | L304-L308 HydrophobicContact CB-CD1 3.99Å; L304-L308 HydrophobicContact CB-CG 4.21Å; L304-L308 WeakPolarHBondContact O-CB 3.19Å; L304-L308 WeakPolarHBondContact O-CD1 3.32Å; L304-L308 WeakPolarHBondContact O-CG 3.23Å; L304-L308 PolarHBondContact O-N 2.96Å; R305-L308 PolarHBondContact O-N 2.87Å; P306-L308 VanDerWaalsContact C-N 3.34Å; P306-L308 PolarHBondContact O-N 2.83Å; L308-P312 WeakPolarHBondContact O-CB 3.22Å; L308-L323 HydrophobicContact CD2-CD2 4.37Å; L308-T325 HydrophobicContact CD1-CG2 3.91Å; L308-L355 HydrophobicContact CB-CD2 4.11Å; L308-L355 HydrophobicContact CD1-CD2 4.02Å |
| 309 | V | 90.2 | Very high | 91.4 | Very high | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.018 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -86.7 | -45.7 | 178.8 | 174.2 | 0 | 0 | 0 | 0 | 111.6 | R305 P306 P307 L355 D358 A359 H362 P392 L396 | R305-V309 WeakPolarHBondContact O-CG2 3.2Å; R305-V309 PolarHBondContact O-N 3.37Å; R305-V309 VanDerWaalsContact O-N 3.17Å; P306-V309 PolarHBondContact O-N 3.16Å; P306-V309 VanDerWaalsContact O-N 3.17Å; P307-V309 VanDerWaalsContact C-N 3.29Å; P307-V309 PolarHBondContact O-N 3.38Å; V309-L355 HydrophobicContact CG2-CD2 4.41Å; V309-D358 HydrophobicContact CG2-CB 4.16Å; V309-A359 HydrophobicContact CG1-CB 4.46Å; V309-A359 HydrophobicContact CG2-CB 4.35Å; V309-H362 HydrophobicContact CG1-CB 3.78Å; V309-P392 WeakPolarHBondContact O-CB 3.38Å; V309-L396 HydrophobicContact CG2-CD1 4.42Å |
| 310 | D | 86.6 | Confident | 91.1 | Very high | 78 Ų | 78 | 41.3 Ų | 41.3 | 42% | 0.417 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -78.5 | -41.4 | -171.9 | -64.5 | -21.2 | 0 | 0 | 0 | 112.4 | P306 H362 P392 | P306-D310 WeakPolarHBondContact O-CB 3.42Å; P306-D310 VanDerWaalsContact O-CG 3.29Å; P306-D310 PolarHBondContact O-N 3.24Å; D310-H362 IonicContact OD1-CD2 2.6Å; D310-H362 PolarHBondContact OD1-CD2 3.38Å; D310-H362 VanDerWaalsContact OD1-CD2 3.29Å; D310-H362 IonicContact OD1-NE2 3.02Å; D310-P392 WeakPolarHBondContact O-CG 3.39Å |
| 311 | Q | 87.1 | Confident | 90.9 | Very high | 149 Ų | 149 | 41.5 Ų | 41.5 | 70% | 0.696 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -143 | 63.1 | -174.7 | -63 | -174.8 | 11.1 | 0 | 0 | 111.8 | P307 T313 | P307-Q311 CarbonylContact O-C 3.5Å; P307-Q311 WeakPolarHBondContact O-CA 3.42Å; P307-Q311 PolarHBondContact O-N 2.91Å; Q311-T313 PolarHBondContact O-N 2.67Å |
| 312 | P | 91.2 | Very high | 90.8 | Very high | 27 Ų | 27 | 41.5 Ų | 41.5 | 18% | 0.175 | 26% | 0.259 | C | S | . | . | trans | -61.9 | 139.1 | 174.2 | 22.9 | -26.5 | 0 | 0 | 0 | 110.1 | L308 L323 P392 A395 | L308-P312 WeakPolarHBondContact O-CB 3.22Å; P312-L323 HydrophobicContact CB-CD1 4.39Å; P312-L323 HydrophobicContact CB-CD2 4.14Å; P312-L323 HydrophobicContact CB-CG 4.35Å; P312-P392 HydrophobicContact CG-CB 4.07Å; P312-P392 WeakPolarHBondContact CG-O 3.38Å; P312-A395 HydrophobicContact CB-CB 4Å; P312-A395 HydrophobicContact CG-CB 3.85Å | ||
| 313 | T | 91.8 | Very high | 90.9 | Very high | 46 Ų | 46 | 39.4 Ų | 39.4 | 28% | 0.282 | 25% | 0.251 | S | S | . | . | B | Isolated β-bridge | trans | -125.9 | 152.2 | -178.7 | 59.8 | 0 | 0 | 0 | 0 | 109.9 | Q311 S317 G321 D322 L323 | Q311-T313 PolarHBondContact O-N 2.67Å; T313-S317 WeakPolarHBondContact CB-OG 3.42Å; T313-S317 WeakPolarHBondContact OG1-CB 3.44Å; T313-S317 PolarHBondContact OG1-OG 3.26Å; T313-G321 PolarHBondContact N-O 3.13Å; T313-G321 PolarHBondContact OG1-O 2.76Å; T313-G321 VanDerWaalsContact OG1-O 3.06Å; T313-D322 VanDerWaalsContact OG1-CA 3.28Å; T313-D322 WeakPolarHBondContact OG1-CA 3.47Å; T313-D322 PolarHBondContact OG1-N 2.9Å; T313-D322 VanDerWaalsContact OG1-N 3.16Å; T313-L323 WeakPolarHBondContact O-CD1 3.19Å; T313-L323 VanDerWaalsContact O-CG 3.26Å; T313-L323 WeakPolarHBondContact O-CG 3.35Å; T313-L323 PolarHBondContact O-N 2.81Å |
| 314 | S | 91 | Very high | 91 | Very high | 92 Ų | 92 | 43 Ų | 43 | 64% | 0.643 | 26% | 0.263 | S | S | * | . | trans | -54.8 | 145.7 | -179.6 | -54.9 | 0 | 0 | 0 | 0 | 112.1 | G316 S317 | S314-G316 PolarHBondContact O-N 3.03Å; S314-S317 WeakPolarHBondContact O-CB 3.2Å; S314-S317 PolarHBondContact O-N 3.36Å; S314-S317 VanDerWaalsContact O-N 3.11Å | ||
| 315 | P | 92.2 | Very high | 91.2 | Very high | 71 Ų | 71 | 42.9 Ų | 42.9 | 46% | 0.461 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | 127.3 | 175.8 | -28.6 | 35.5 | 0 | 0 | 0 | 112.3 | D322 L323 R324 Y399 | P315-D322 VanDerWaalsContact CA-OD1 3.28Å; P315-D322 WeakPolarHBondContact CA-OD1 3.2Å; P315-L323 HydrophobicContact CG-CB 4.07Å; P315-R324 HydrophobicContact CB-CG 3.99Å; P315-Y399 WeakPolarHBondContact CG-OH 3.01Å |
| 316 | G | 90.8 | Very high | 91.4 | Very high | 47 Ų | 47 | 40.6 Ų | 40.6 | 49% | 0.485 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.4 | 4.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | S314 G318 D322 | S314-G316 PolarHBondContact O-N 3.03Å; G316-G318 PolarHBondContact O-N 3.1Å; G316-D322 WeakPolarHBondContact CA-OD2 3.38Å; G316-D322 PolarHBondContact N-OD1 2.9Å; G316-D322 PolarHBondContact N-OD2 3.42Å |
| 317 | S | 91.2 | Very high | 91.8 | Very high | 63 Ų | 63 | 40.8 Ų | 40.8 | 44% | 0.441 | 25% | 0.25 | S | S | . | . | trans | -63.4 | -25.6 | 177.9 | 69.2 | 0 | 0 | 0 | 0 | 113.9 | T313 S314 G319 D322 | T313-S317 WeakPolarHBondContact CB-OG 3.42Å; T313-S317 WeakPolarHBondContact OG1-CB 3.44Å; T313-S317 PolarHBondContact OG1-OG 3.26Å; S314-S317 WeakPolarHBondContact O-CB 3.2Å; S314-S317 PolarHBondContact O-N 3.36Å; S314-S317 VanDerWaalsContact O-N 3.11Å; S317-G319 PolarHBondContact O-N 3.37Å; S317-G319 PolarHBondContact OG-N 3.43Å; S317-G319 VanDerWaalsContact OG-N 3.1Å; S317-D322 PolarHBondContact N-OD2 2.87Å; S317-D322 WeakPolarHBondContact OG-CB 3.49Å | ||
| 318 | G | 85.1 | Confident | 92.1 | Very high | 30 Ų | 30 | 39 Ų | 39 | 31% | 0.309 | 24% | 0.239 | S | C | . | . | trans | 73.3 | 3.2 | -171 | 0 | 0 | 0 | 0 | 0 | 114.4 | G316 D322 | G316-G318 PolarHBondContact O-N 3.1Å; G318-D322 PolarHBondContact N-OD2 3.43Å | ||
| 319 | G | 89.4 | Confident | 92.4 | Very high | 27 Ų | 27 | 39 Ų | 39 | 28% | 0.278 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -81.3 | 165.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q253 S317 G321 D322 | Q253-G319 PolarHBondContact NE2-O 2.9Å; S317-G319 PolarHBondContact O-N 3.37Å; S317-G319 PolarHBondContact OG-N 3.43Å; S317-G319 VanDerWaalsContact OG-N 3.1Å; G319-G321 PolarHBondContact O-N 2.85Å; G319-D322 WeakPolarHBondContact O-CB 3.27Å; G319-D322 PolarHBondContact O-N 2.94Å |
| 320 | F | 91.6 | Very high | 92.8 | Very high | 28 Ų | 28 | 38.9 Ų | 38.9 | 12% | 0.123 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -23.9 | 176.1 | -67.2 | -46.4 | 0 | 0 | 0 | 113.7 | S244 L249 R250 L304 P307 D322 | S244-F320 WeakPolarHBondContact O-CE2 3.42Å; L249-F320 HydrophobicContact CB-CE1 4.02Å; L249-F320 HydrophobicContact CB-CZ 4.32Å; L249-F320 HydrophobicContact CD2-CD1 4.08Å; L249-F320 HydrophobicContact CD2-CE1 3.84Å; L249-F320 HydrophobicContact CD2-CZ 4.19Å; L249-F320 HydrophobicContact CG-CD1 4.14Å; L249-F320 HydrophobicContact CG-CE1 3.68Å; L249-F320 HydrophobicContact CG-CZ 4.32Å; R250-F320 HydrophobicContact CB-CE1 4.06Å; R250-F320 HydrophobicContact CB-CZ 4.33Å; L304-F320 HydrophobicContact CD2-CB 3.91Å; L304-F320 HydrophobicContact CD2-CD1 3.75Å; L304-F320 HydrophobicContact CD2-CG 4.15Å; P307-F320 HydrophobicContact CB-CB 3.8Å; P307-F320 HydrophobicContact CG-CB 3.66Å; F320-D322 VanDerWaalsContact C-N 3.26Å; F320-D322 PolarHBondContact O-N 3.34Å |
| 321 | G | 91.4 | Very high | 93.2 | Very high | 4 Ų | 4 | 35.9 Ų | 35.9 | 4% | 0.041 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 15 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | T313 G319 L323 | T313-G321 PolarHBondContact N-O 3.13Å; T313-G321 PolarHBondContact OG1-O 2.76Å; T313-G321 VanDerWaalsContact OG1-O 3.06Å; G319-G321 PolarHBondContact O-N 2.85Å; G321-L323 PolarHBondContact O-N 3.47Å |
| 322 | D | 94.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -63.2 | 116.2 | -179.5 | -176.2 | -17 | 0 | 0 | 0 | 110.4 | Y257 T313 P315 G316 S317 G318 G319 F320 R324 T325 | Y257-D322 HydrophobicContact CE2-CB 4.48Å; Y257-D322 PolarHBondContact OH-O 2.83Å; Y257-D322 VanDerWaalsContact OH-O 3.06Å; T313-D322 VanDerWaalsContact OG1-CA 3.28Å; T313-D322 WeakPolarHBondContact OG1-CA 3.47Å; T313-D322 PolarHBondContact OG1-N 2.9Å; T313-D322 VanDerWaalsContact OG1-N 3.16Å; P315-D322 VanDerWaalsContact CA-OD1 3.28Å; P315-D322 WeakPolarHBondContact CA-OD1 3.2Å; G316-D322 WeakPolarHBondContact CA-OD2 3.38Å; G316-D322 PolarHBondContact N-OD1 2.9Å; G316-D322 PolarHBondContact N-OD2 3.42Å; S317-D322 PolarHBondContact N-OD2 2.87Å; S317-D322 WeakPolarHBondContact OG-CB 3.49Å; G318-D322 PolarHBondContact N-OD2 3.43Å; G319-D322 WeakPolarHBondContact O-CB 3.27Å; G319-D322 PolarHBondContact O-N 2.94Å; F320-D322 VanDerWaalsContact C-N 3.26Å; F320-D322 PolarHBondContact O-N 3.34Å; D322-R324 PolarHBondContact O-N 3.49Å; D322-R324 WeakPolarHBondContact OD1-CB 3.26Å; D322-R324 WeakPolarHBondContact OD1-CG 3.49Å; D322-R324 PolarHBondContact OD1-N 3.08Å; D322-R324 IonicContact OD1-NE 3.55Å; D322-R324 IonicContact OD2-CZ 3.39Å; D322-R324 VanDerWaalsContact OD2-CZ 3.28Å; D322-R324 IonicContact OD2-NE 3.79Å; D322-R324 PolarHBondContact OD2-NE 3.27Å; D322-R324 IonicContact OD2-NH2 3.93Å; D322-R324 PolarHBondContact OD2-NH2 3.06Å; D322-T325 PolarHBondContact O-N 3.39Å; D322-T325 PolarHBondContact O-OG1 3.22Å; D322-T325 VanDerWaalsContact O-OG1 3.06Å |
| 323 | L | 95.4 | Very high | 94 | Very high | 9 Ų | 9 | 27.6 Ų | 27.6 | 5% | 0.047 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -3.9 | -176 | -69.6 | 166.5 | 0 | 0 | 0 | 114 | L308 P312 T313 P315 G321 T325 M326 A395 L396 Y399 | L308-L323 HydrophobicContact CD2-CD2 4.37Å; P312-L323 HydrophobicContact CB-CD1 4.39Å; P312-L323 HydrophobicContact CB-CD2 4.14Å; P312-L323 HydrophobicContact CB-CG 4.35Å; T313-L323 WeakPolarHBondContact O-CD1 3.19Å; T313-L323 VanDerWaalsContact O-CG 3.26Å; T313-L323 WeakPolarHBondContact O-CG 3.35Å; T313-L323 PolarHBondContact O-N 2.81Å; P315-L323 HydrophobicContact CG-CB 4.07Å; G321-L323 PolarHBondContact O-N 3.47Å; L323-T325 PolarHBondContact O-N 3.16Å; L323-T325 VanDerWaalsContact O-N 3.15Å; L323-M326 HydrophobicContact CD2-CG 4.19Å; L323-M326 WeakPolarHBondContact O-CB 3.32Å; L323-M326 PolarHBondContact O-N 2.98Å; L323-A395 HydrophobicContact CD1-CB 4.22Å; L323-L396 HydrophobicContact CD2-CD2 3.75Å; L323-Y399 HydrophobicContact CB-CE2 4.19Å; L323-Y399 WeakPolarHBondContact CB-OH 3.34Å; L323-Y399 HydrophobicContact CD1-CE2 3.85Å; L323-Y399 HydrophobicContact CD2-CE2 4.16Å; L323-Y399 HydrophobicContact CG-CE2 4.29Å |
| 324 | R | 96.5 | Very high | 94.2 | Very high | 87 Ų | 87 | 29.6 Ų | 29.6 | 33% | 0.328 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -55.1 | -24.6 | 162.5 | -76.6 | -172.9 | -67.3 | 172.6 | -2.1 | 112.8 | Y257 P315 D322 M326 E327 C328 | Y257-R324 HydrophobicContact CD1-CB 4.26Å; Y257-R324 HydrophobicContact CD2-CB 4.24Å; Y257-R324 VanDerWaalsContact CD2-CZ 3.44Å; Y257-R324 HydrophobicContact CE1-CB 3.89Å; Y257-R324 HydrophobicContact CE2-CB 3.85Å; Y257-R324 HydrophobicContact CG-CB 4.41Å; P315-R324 HydrophobicContact CB-CG 3.99Å; D322-R324 PolarHBondContact O-N 3.49Å; D322-R324 WeakPolarHBondContact OD1-CB 3.26Å; D322-R324 WeakPolarHBondContact OD1-CG 3.49Å; D322-R324 PolarHBondContact OD1-N 3.08Å; D322-R324 IonicContact OD1-NE 3.55Å; D322-R324 IonicContact OD2-CZ 3.39Å; D322-R324 VanDerWaalsContact OD2-CZ 3.28Å; D322-R324 IonicContact OD2-NE 3.79Å; D322-R324 PolarHBondContact OD2-NE 3.27Å; D322-R324 IonicContact OD2-NH2 3.93Å; D322-R324 PolarHBondContact OD2-NH2 3.06Å; R324-M326 PolarHBondContact O-N 3.49Å; R324-E327 WeakPolarHBondContact O-CB 3.46Å; R324-E327 PolarHBondContact O-N 3.35Å; R324-E327 VanDerWaalsContact O-N 3.07Å; R324-C328 PolarHBondContact O-N 3.07Å; R324-C328 VanDerWaalsContact O-N 3.09Å; R324-C328 PolarHBondContact O-SG 3.48Å |
| 325 | T | 96.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.7 | -34.4 | 171.7 | -50.2 | 0 | 0 | 0 | 0 | 112.2 | Y257 L300 A301 L304 L308 D322 L323 C328 | Y257-T325 PolarHBondContact OH-N 3.49Å; Y257-T325 PolarHBondContact OH-OG1 3.32Å; L300-T325 HydrophobicContact CD2-CG2 4.32Å; L300-T325 HydrophobicContact CG-CG2 4.21Å; A301-T325 HydrophobicContact CB-CG2 3.91Å; L304-T325 HydrophobicContact CD1-CG2 4.28Å; L304-T325 WeakPolarHBondContact CD1-OG1 3.31Å; L308-T325 HydrophobicContact CD1-CG2 3.91Å; D322-T325 PolarHBondContact O-N 3.39Å; D322-T325 PolarHBondContact O-OG1 3.22Å; D322-T325 VanDerWaalsContact O-OG1 3.06Å; L323-T325 PolarHBondContact O-N 3.16Å; L323-T325 VanDerWaalsContact O-N 3.15Å; T325-C328 WeakPolarHBondContact O-CB 3.33Å; T325-C328 PolarHBondContact O-N 3.4Å |
| 326 | M | 96.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -71.8 | -33.1 | 174.4 | -66.4 | -57 | -60.7 | 0 | 0 | 111.9 | L323 R324 C328 I329 L330 L352 L355 L396 Y399 F400 | L323-M326 HydrophobicContact CD2-CG 4.19Å; L323-M326 WeakPolarHBondContact O-CB 3.32Å; L323-M326 PolarHBondContact O-N 2.98Å; R324-M326 PolarHBondContact O-N 3.49Å; M326-C328 VanDerWaalsContact C-N 3.27Å; M326-C328 PolarHBondContact O-N 3.33Å; M326-I329 PolarHBondContact O-N 3.18Å; M326-I329 VanDerWaalsContact O-N 3.08Å; M326-L330 PolarHBondContact O-N 3.26Å; M326-L352 HydrophobicContact CE-CD2 4.35Å; M326-L355 HydrophobicContact SD-CD1 4.06Å; M326-L396 HydrophobicContact CG-CD2 4.33Å; M326-L396 HydrophobicContact SD-CD2 4.46Å; M326-Y399 HydrophobicContact CB-CD1 3.38Å; M326-Y399 HydrophobicContact CB-CE1 3.84Å; M326-Y399 HydrophobicContact CB-CG 3.85Å; M326-Y399 HydrophobicContact CG-CD1 4.12Å; M326-Y399 HydrophobicContact CG-CG 4.09Å; M326-F400 HydrophobicContact CE-CE2 4.4Å |
| 327 | E | 95.9 | Very high | 94.1 | Very high | 59 Ų | 59 | 28.5 Ų | 28.5 | 28% | 0.276 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -65.7 | -30.4 | 173.4 | -63 | -63.4 | 149 | 0 | 0 | 111.9 | R324 I329 L330 V331 Y399 R402 | R324-E327 WeakPolarHBondContact O-CB 3.46Å; R324-E327 PolarHBondContact O-N 3.35Å; R324-E327 VanDerWaalsContact O-N 3.07Å; E327-I329 VanDerWaalsContact C-N 3.26Å; E327-I329 PolarHBondContact O-N 3Å; E327-L330 PolarHBondContact O-N 3.31Å; E327-V331 WeakPolarHBondContact O-CB 3.49Å; E327-V331 WeakPolarHBondContact O-CG1 3.46Å; E327-V331 PolarHBondContact O-N 2.84Å; E327-Y399 WeakPolarHBondContact OE1-CE1 3.41Å; E327-R402 IonicContact OE1-NH1 3.94Å; E327-R402 PolarHBondContact OE1-NH1 3.49Å; E327-R402 VanDerWaalsContact OE1-NH1 3.13Å; E327-R402 IonicContact OE2-NH1 2.92Å; E327-R402 PolarHBondContact OE2-NH1 3.29Å |
| 328 | C | 97.7 | Very high | 94 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.6 | -31.7 | 170.1 | -63.7 | 0 | 0 | 0 | 0 | 112.9 | V260 F297 R324 T325 M326 V331 | V260-C328 HydrophobicContact CG2-CB 4.42Å; V260-C328 VanDerWaalsContact CG2-SG 3.57Å; F297-C328 HydrophobicContact CB-CB 3.92Å; F297-C328 HydrophobicContact CD1-CB 3.83Å; F297-C328 HydrophobicContact CD2-CB 4.14Å; F297-C328 WeakPolarHBondContact CD2-O 3.41Å; F297-C328 HydrophobicContact CE1-CB 4.35Å; F297-C328 HydrophobicContact CG-CB 3.72Å; R324-C328 PolarHBondContact O-N 3.07Å; R324-C328 VanDerWaalsContact O-N 3.09Å; R324-C328 PolarHBondContact O-SG 3.48Å; T325-C328 WeakPolarHBondContact O-CB 3.33Å; T325-C328 PolarHBondContact O-N 3.4Å; M326-C328 VanDerWaalsContact C-N 3.27Å; M326-C328 PolarHBondContact O-N 3.33Å; C328-V331 WeakPolarHBondContact O-CG1 3.41Å |
| 329 | I | 97.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -80.1 | -46.3 | 175.1 | -60.3 | -61.1 | 0 | 0 | 0 | 110.5 | F297 A301 M326 E327 V331 V332 L333 T348 A351 L352 | F297-I329 HydrophobicContact CB-CD1 4.41Å; A301-I329 HydrophobicContact CB-CD1 4.06Å; A301-I329 HydrophobicContact CB-CG1 4.16Å; M326-I329 PolarHBondContact O-N 3.18Å; M326-I329 VanDerWaalsContact O-N 3.08Å; E327-I329 VanDerWaalsContact C-N 3.26Å; E327-I329 PolarHBondContact O-N 3Å; I329-V331 VanDerWaalsContact C-N 3.32Å; I329-V331 PolarHBondContact O-N 3.33Å; I329-V332 WeakPolarHBondContact O-CB 3.39Å; I329-V332 PolarHBondContact O-N 3.45Å; I329-V332 VanDerWaalsContact O-N 3.11Å; I329-L333 HydrophobicContact CG2-CD1 4.25Å; I329-L333 PolarHBondContact O-N 3.46Å; I329-T348 HydrophobicContact CD1-CG2 4.48Å; I329-T348 HydrophobicContact CG2-CG2 4.11Å; I329-A351 HydrophobicContact CD1-CB 4.47Å; I329-L352 HydrophobicContact CG2-CD1 4.13Å; I329-L352 HydrophobicContact CG2-CD2 3.88Å; I329-L352 HydrophobicContact CG2-CG 4.07Å |
| 330 | L | 97.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.8 | -37.7 | -179.3 | -74.5 | 169.7 | 0 | 0 | 0 | 112.4 | M326 E327 V332 L333 E334 Y399 R402 V403 | M326-L330 PolarHBondContact O-N 3.26Å; E327-L330 PolarHBondContact O-N 3.31Å; L330-V332 PolarHBondContact O-N 3Å; L330-L333 PolarHBondContact O-N 2.55Å; L330-L333 VanDerWaalsContact O-N 3.11Å; L330-E334 VanDerWaalsContact O-CB 3.3Å; L330-E334 WeakPolarHBondContact O-CB 2.98Å; L330-E334 VanDerWaalsContact O-CG 3.31Å; L330-E334 WeakPolarHBondContact O-CG 3.47Å; L330-E334 PolarHBondContact O-N 3.06Å; L330-Y399 HydrophobicContact CD1-CD1 3.83Å; L330-R402 HydrophobicContact CD1-CB 4.31Å; L330-R402 HydrophobicContact CD2-CB 3.85Å; L330-V403 HydrophobicContact CD2-CG2 3.82Å |
| 331 | V | 96.8 | Very high | 94.4 | Very high | 15 Ų | 15 | 25.2 Ų | 25.2 | 9% | 0.091 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61 | -27.2 | 177.6 | 73.7 | 0 | 0 | 0 | 0 | 112.7 | V260 V263 Q264 F297 E327 C328 I329 I335 | V260-V331 HydrophobicContact CG1-CB 4.15Å; V260-V331 HydrophobicContact CG1-CG1 4.16Å; V260-V331 HydrophobicContact CG1-CG2 4.05Å; V260-V331 HydrophobicContact CG2-CG1 4.5Å; V263-V331 HydrophobicContact CB-CG2 4.42Å; V263-V331 HydrophobicContact CG1-CG2 4.18Å; Q264-V331 HydrophobicContact CG-CG2 3.81Å; F297-V331 HydrophobicContact CD2-CG1 4.33Å; F297-V331 HydrophobicContact CE2-CG1 3.85Å; E327-V331 WeakPolarHBondContact O-CB 3.49Å; E327-V331 WeakPolarHBondContact O-CG1 3.46Å; E327-V331 PolarHBondContact O-N 2.84Å; C328-V331 WeakPolarHBondContact O-CG1 3.41Å; I329-V331 VanDerWaalsContact C-N 3.32Å; I329-V331 PolarHBondContact O-N 3.33Å; V331-I335 WeakPolarHBondContact O-CG1 3.35Å |
| 332 | V | 97.3 | Very high | 94.4 | Very high | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.012 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -78 | -41.6 | 175.6 | -179.4 | 0 | 0 | 0 | 0 | 110.9 | A294 F297 I329 L330 E334 I335 L344 T348 | A294-V332 HydrophobicContact CB-CG1 3.92Å; A294-V332 HydrophobicContact CB-CG2 4.03Å; F297-V332 HydrophobicContact CD2-CG2 3.74Å; F297-V332 HydrophobicContact CE2-CG2 4.31Å; I329-V332 WeakPolarHBondContact O-CB 3.39Å; I329-V332 PolarHBondContact O-N 3.45Å; I329-V332 VanDerWaalsContact O-N 3.11Å; L330-V332 PolarHBondContact O-N 3Å; V332-E334 VanDerWaalsContact C-N 3.35Å; V332-I335 WeakPolarHBondContact O-CG1 3.47Å; V332-L344 HydrophobicContact CG1-CD1 4.04Å; V332-L344 HydrophobicContact CG1-CG 3.82Å; V332-L344 WeakPolarHBondContact CG1-O 3.4Å; V332-T348 HydrophobicContact CB-CG2 3.95Å; V332-T348 HydrophobicContact CG1-CG2 3.81Å |
| 333 | L | 96.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -72 | -28 | 178.2 | -65.9 | 175.8 | 0 | 0 | 0 | 112.8 | I329 L330 A345 L352 V403 A406 L407 Y410 | I329-L333 HydrophobicContact CG2-CD1 4.25Å; I329-L333 PolarHBondContact O-N 3.46Å; L330-L333 PolarHBondContact O-N 2.55Å; L330-L333 VanDerWaalsContact O-N 3.11Å; L333-A345 HydrophobicContact CD2-CB 3.89Å; L333-L352 HydrophobicContact CD1-CD1 4.11Å; L333-V403 HydrophobicContact CD1-CB 4.36Å; L333-V403 HydrophobicContact CD1-CG1 3.98Å; L333-V403 HydrophobicContact CD1-CG2 3.98Å; L333-A406 HydrophobicContact CB-CB 3.91Å; L333-L407 HydrophobicContact CD2-CD2 4.15Å; L333-Y410 WeakPolarHBondContact O-CE2 3.47Å; L333-Y410 PolarHBondContact O-OH 3.05Å |
| 334 | E | 95.6 | Very high | 94.3 | Very high | 88 Ų | 88 | 31.8 Ų | 31.8 | 41% | 0.411 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 9.5 | -175.8 | -65.3 | 177.7 | 167.3 | 0 | 0 | 113.1 | L330 V332 P336 R402 A406 | L330-E334 VanDerWaalsContact O-CB 3.3Å; L330-E334 WeakPolarHBondContact O-CB 2.98Å; L330-E334 VanDerWaalsContact O-CG 3.31Å; L330-E334 WeakPolarHBondContact O-CG 3.47Å; L330-E334 PolarHBondContact O-N 3.06Å; V332-E334 VanDerWaalsContact C-N 3.35Å; E334-P336 WeakPolarHBondContact O-CD 3.49Å; E334-R402 IonicContact OE1-CZ 3.28Å; E334-R402 VanDerWaalsContact OE1-CZ 3.29Å; E334-R402 IonicContact OE1-NE 3.65Å; E334-R402 PolarHBondContact OE1-NE 2.67Å; E334-R402 VanDerWaalsContact OE1-NE 3.12Å; E334-R402 IonicContact OE1-NH2 2.76Å; E334-R402 PolarHBondContact OE1-NH2 2.9Å; E334-R402 IonicContact OE2-CZ 2.67Å; E334-R402 IonicContact OE2-NH2 3.23Å; E334-R402 PolarHBondContact OE2-NH2 3.4Å; E334-A406 HydrophobicContact CG-CB 4.23Å |
| 335 | I | 94 | Very high | 94.2 | Very high | 9 Ų | 9 | 27.7 Ų | 27.7 | 5% | 0.046 | 15% | 0.153 | C | C | . | . | P | Polyproline II helix | trans | -67.7 | 125.4 | 176.1 | -56 | 177.8 | 0 | 0 | 0 | 109.4 | V263 V331 V332 L339 G340 L344 Y410 | V263-I335 HydrophobicContact CG1-CD1 3.54Å; V263-I335 HydrophobicContact CG1-CG1 4.13Å; V331-I335 WeakPolarHBondContact O-CG1 3.35Å; V332-I335 WeakPolarHBondContact O-CG1 3.47Å; I335-L339 HydrophobicContact CG2-CB 3.94Å; I335-L339 HydrophobicContact CG2-CD2 4.09Å; I335-L339 HydrophobicContact CG2-CG 4Å; I335-G340 WeakPolarHBondContact O-CA 3.27Å; I335-L344 HydrophobicContact CD1-CD2 3.6Å; I335-Y410 PolarHBondContact O-OH 3.03Å |
| 336 | P | 91.4 | Very high | 94.2 | Very high | 70 Ų | 70 | 29.4 Ų | 29.4 | 46% | 0.455 | 17% | 0.165 | S | C | . | . | P | Polyproline II helix | trans | -70.3 | 151.3 | 174.9 | 28.3 | -34.8 | 0 | 0 | 0 | 112.5 | S267 E334 G340 | S267-P336 WeakPolarHBondContact OG-CD 3.44Å; E334-P336 WeakPolarHBondContact O-CD 3.49Å; P336-G340 PolarHBondContact O-N 3.27Å |
| 337 | P | 86.7 | Confident | 94.3 | Very high | 107 Ų | 107 | 30.8 Ų | 30.8 | 70% | 0.695 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | 152.5 | 171.2 | 27 | -34.2 | 0 | 0 | 0 | 111.4 | ||
| 338 | P | 88.6 | Confident | 94.3 | Very high | 51 Ų | 51 | 28 Ų | 28 | 33% | 0.331 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -87.6 | -6.1 | 9.3 | 34.4 | -35.7 | 0 | 0 | 0 | 115 | V270 L283 | V270-P338 HydrophobicContact CG1-CG 3.77Å; L283-P338 HydrophobicContact CD1-CB 4.28Å; L283-P338 HydrophobicContact CD1-CG 4.19Å; L283-P338 HydrophobicContact CD2-CB 4.09Å; L283-P338 HydrophobicContact CD2-CG 4.27Å |
| 339 | L | 92.3 | Very high | 94.3 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -41.2 | 178.8 | -175.8 | 63 | 0 | 0 | 0 | 111.5 | C266 V270 L283 K287 I335 S341 | C266-L339 HydrophobicContact CB-CD2 4.25Å; V270-L339 HydrophobicContact CG1-CB 4.48Å; V270-L339 HydrophobicContact CG2-CB 4.48Å; V270-L339 HydrophobicContact CG2-CD2 4.37Å; L283-L339 HydrophobicContact CD1-CB 4.34Å; L283-L339 HydrophobicContact CD1-CD1 4.23Å; K287-L339 HydrophobicContact CB-CD1 4.42Å; I335-L339 HydrophobicContact CG2-CB 3.94Å; I335-L339 HydrophobicContact CG2-CD2 4.09Å; I335-L339 HydrophobicContact CG2-CG 4Å; L339-S341 PolarHBondContact O-N 2.94Å; L339-S341 PolarHBondContact O-OG 3.44Å |
| 340 | G | 91.3 | Very high | 94.2 | Very high | 9 Ų | 9 | 33.5 Ų | 33.5 | 9% | 0.093 | 18% | 0.184 | C | C | . | . | trans | -61.4 | 116.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | I335 P336 | I335-G340 WeakPolarHBondContact O-CA 3.27Å; P336-G340 PolarHBondContact O-N 3.27Å | ||
| 341 | S | 91.5 | Very high | 94.2 | Very high | 18 Ų | 18 | 33.5 Ų | 33.5 | 13% | 0.126 | 18% | 0.184 | C | C | . | . | trans | -140 | 159 | -174.7 | 56.6 | 0 | 0 | 0 | 0 | 110.3 | L339 E343 L344 A345 | L339-S341 PolarHBondContact O-N 2.94Å; L339-S341 PolarHBondContact O-OG 3.44Å; S341-E343 VanDerWaalsContact C-N 3.27Å; S341-E343 WeakPolarHBondContact CB-OE2 3.48Å; S341-E343 PolarHBondContact O-N 3.37Å; S341-L344 PolarHBondContact O-N 3.02Å; S341-L344 WeakPolarHBondContact OG-CB 3.36Å; S341-A345 PolarHBondContact O-N 3.38Å | ||
| 342 | R | 92.5 | Very high | 94.2 | Very high | 50 Ų | 50 | 32.8 Ų | 32.8 | 19% | 0.189 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.7 | -37.8 | -178.6 | -68.1 | -179.1 | -168.6 | 108.9 | 0.4 | 110.9 | L344 A345 S346 Y410 F427 | R342-L344 VanDerWaalsContact C-N 3.35Å; R342-L344 PolarHBondContact O-N 3.22Å; R342-A345 PolarHBondContact O-N 2.94Å; R342-S346 WeakPolarHBondContact O-CB 3.39Å; R342-S346 PolarHBondContact O-N 3.02Å; R342-S346 PolarHBondContact O-OG 3.4Å; R342-Y410 HydrophobicContact CG-CD1 4.5Å; R342-Y410 PolarHBondContact NE-O 2.48Å; R342-F427 HydrophobicContact CB-CD1 4.42Å; R342-F427 HydrophobicContact CB-CD2 3.67Å; R342-F427 HydrophobicContact CB-CE2 3.86Å; R342-F427 HydrophobicContact CB-CG 3.96Å; R342-F427 HydrophobicContact CB-CZ 4.33Å; R342-F427 HydrophobicContact CG-CD1 3.98Å; R342-F427 HydrophobicContact CG-CD2 4.14Å; R342-F427 HydrophobicContact CG-CE1 4.1Å; R342-F427 HydrophobicContact CG-CE2 4.23Å; R342-F427 HydrophobicContact CG-CG 3.99Å; R342-F427 HydrophobicContact CG-CZ 4.21Å; R342-F427 WeakPolarHBondContact O-CE2 3.22Å |
| 343 | E | 92 | Very high | 94.1 | Very high | 99 Ų | 99 | 34.9 Ų | 34.9 | 46% | 0.463 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -60.9 | -44.9 | 177.2 | -52.6 | 97.4 | 110.3 | 0 | 0 | 111 | K287 S341 S346 | K287-E343 IonicContact NZ-OE1 3.93Å; K287-E343 PolarHBondContact NZ-OE1 3.25Å; S341-E343 VanDerWaalsContact C-N 3.27Å; S341-E343 WeakPolarHBondContact CB-OE2 3.48Å; S341-E343 PolarHBondContact O-N 3.37Å; E343-S346 PolarHBondContact O-N 3.16Å |
| 344 | L | 94.6 | Very high | 93.9 | Very high | 2 Ų | 2 | 35.7 Ų | 35.7 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.6 | -40.2 | 179.5 | -175.2 | 57.3 | 0 | 0 | 0 | 112.2 | C290 A294 V332 I335 S341 R342 I347 | C290-L344 HydrophobicContact CB-CD1 4.12Å; C290-L344 HydrophobicContact CB-CD2 3.92Å; A294-L344 HydrophobicContact CB-CD1 3.73Å; V332-L344 HydrophobicContact CG1-CD1 4.04Å; V332-L344 HydrophobicContact CG1-CG 3.82Å; V332-L344 WeakPolarHBondContact CG1-O 3.4Å; I335-L344 HydrophobicContact CD1-CD2 3.6Å; S341-L344 PolarHBondContact O-N 3.02Å; S341-L344 WeakPolarHBondContact OG-CB 3.36Å; R342-L344 VanDerWaalsContact C-N 3.35Å; R342-L344 PolarHBondContact O-N 3.22Å; L344-I347 HydrophobicContact CD1-CD1 4.22Å |
| 345 | A | 95.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.4 | -42.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | L333 S341 R342 I347 T348 F349 Y410 F427 | L333-A345 HydrophobicContact CD2-CB 3.89Å; S341-A345 PolarHBondContact O-N 3.38Å; R342-A345 PolarHBondContact O-N 2.94Å; A345-I347 VanDerWaalsContact C-N 3.25Å; A345-I347 PolarHBondContact O-N 3.48Å; A345-T348 WeakPolarHBondContact O-CB 3.36Å; A345-T348 PolarHBondContact O-N 3.24Å; A345-T348 VanDerWaalsContact O-N 3.08Å; A345-T348 PolarHBondContact O-OG1 2.89Å; A345-F349 WeakPolarHBondContact O-CD1 3.24Å; A345-Y410 HydrophobicContact CB-CD2 4.35Å; A345-Y410 HydrophobicContact CB-CE1 4.41Å; A345-Y410 HydrophobicContact CB-CE2 4.25Å; A345-Y410 HydrophobicContact CB-CG 4.49Å; A345-F427 HydrophobicContact CB-CE2 4.32Å; A345-F427 HydrophobicContact CB-CZ 4.41Å |
| 346 | S | 96.6 | Very high | 93.8 | Very high | 37 Ų | 37 | 31.1 Ų | 31.1 | 26% | 0.259 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -61.3 | -29 | -175.8 | -57.8 | 0 | 0 | 0 | 0 | 113.5 | R342 E343 T348 F349 F427 | R342-S346 WeakPolarHBondContact O-CB 3.39Å; R342-S346 PolarHBondContact O-N 3.02Å; R342-S346 PolarHBondContact O-OG 3.4Å; E343-S346 PolarHBondContact O-N 3.16Å; S346-T348 PolarHBondContact O-N 3.15Å; S346-T348 VanDerWaalsContact O-N 3.07Å; S346-F349 WeakPolarHBondContact O-CB 3.43Å; S346-F349 PolarHBondContact O-N 3.05Å; S346-F427 WeakPolarHBondContact OG-CD2 3.33Å; S346-F427 WeakPolarHBondContact OG-CE2 3.41Å |
| 347 | I | 97.4 | Very high | 93.8 | Very high | 29 Ų | 29 | 30.5 Ų | 30.5 | 15% | 0.149 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -26.6 | 176.3 | -65.8 | 167.5 | 0 | 0 | 0 | 112.2 | T291 A294 H295 S298 L344 A345 | T291-I347 HydrophobicContact CG2-CD1 3.82Å; A294-I347 HydrophobicContact CB-CB 4.21Å; A294-I347 HydrophobicContact CB-CD1 4.17Å; A294-I347 HydrophobicContact CB-CG2 3.78Å; H295-I347 HydrophobicContact CB-CG2 4.49Å; S298-I347 PolarHBondContact OG-O 2.99Å; L344-I347 HydrophobicContact CD1-CD1 4.22Å; A345-I347 VanDerWaalsContact C-N 3.25Å; A345-I347 PolarHBondContact O-N 3.48Å |
| 348 | T | 97.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -18.2 | -178.9 | 70.4 | 0 | 0 | 0 | 0 | 113.9 | I329 V332 A345 S346 H350 A351 L352 | I329-T348 HydrophobicContact CD1-CG2 4.48Å; I329-T348 HydrophobicContact CG2-CG2 4.11Å; V332-T348 HydrophobicContact CB-CG2 3.95Å; V332-T348 HydrophobicContact CG1-CG2 3.81Å; A345-T348 WeakPolarHBondContact O-CB 3.36Å; A345-T348 PolarHBondContact O-N 3.24Å; A345-T348 VanDerWaalsContact O-N 3.08Å; A345-T348 PolarHBondContact O-OG1 2.89Å; S346-T348 PolarHBondContact O-N 3.15Å; S346-T348 VanDerWaalsContact O-N 3.07Å; T348-H350 PolarHBondContact O-N 3.16Å; T348-A351 PolarHBondContact O-N 3.29Å; T348-A351 VanDerWaalsContact O-N 3.16Å; T348-L352 PolarHBondContact O-N 3.22Å; T348-L352 VanDerWaalsContact O-N 3.12Å |
| 349 | F | 97.7 | Very high | 94 | Very high | 10 Ų | 10 | 24.6 Ų | 24.6 | 4% | 0.044 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.1 | -43.6 | -166.9 | -73.3 | 10.2 | 0 | 0 | 0 | 112.2 | A345 S346 A351 L352 H353 L407 F427 D430 V431 L434 | A345-F349 WeakPolarHBondContact O-CD1 3.24Å; S346-F349 WeakPolarHBondContact O-CB 3.43Å; S346-F349 PolarHBondContact O-N 3.05Å; F349-A351 VanDerWaalsContact C-N 3.27Å; F349-A351 PolarHBondContact O-N 3.47Å; F349-L352 PolarHBondContact O-N 3.18Å; F349-L352 VanDerWaalsContact O-N 3.08Å; F349-H353 WeakPolarHBondContact O-CB 3.42Å; F349-H353 PolarHBondContact O-CD2 3.28Å; F349-H353 PolarHBondContact O-N 3.33Å; F349-L407 HydrophobicContact CE1-CD2 3.71Å; F349-L407 HydrophobicContact CZ-CD2 3.94Å; F349-F427 HydrophobicContact CE2-CE2 4.12Å; F349-F427 HydrophobicContact CZ-CD2 4.48Å; F349-F427 AromaticContact CZ-CE2 3.65Å; F349-F427 HydrophobicContact CZ-CE2 3.65Å; F349-F427 AromaticContact CZ-CZ 3.93Å; F349-F427 HydrophobicContact CZ-CZ 3.93Å; F349-D430 HydrophobicContact CD2-CB 3.92Å; F349-D430 HydrophobicContact CE2-CB 3.73Å; F349-V431 HydrophobicContact CE2-CG2 3.91Å; F349-V431 HydrophobicContact CZ-CG2 3.67Å; F349-L434 HydrophobicContact CD1-CD2 3.79Å; F349-L434 HydrophobicContact CE1-CD2 4.07Å; F349-L434 HydrophobicContact CG-CD2 4.04Å |
| 350 | H | 95.5 | Very high | 93.8 | Very high | 106 Ų | 106 | 26.5 Ų | 26.5 | 49% | 0.491 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -61 | -35.5 | 180 | -174.3 | 57.4 | 0 | 0 | 0 | 113.1 | R302 T348 S354 | R302-H350 VanDerWaalsContact CZ-CD2 3.44Å; R302-H350 PolarHBondContact NH1-CD2 3.31Å; R302-H350 VanDerWaalsContact NH1-CD2 3.31Å; R302-H350 PolarHBondContact NH1-NE2 3.48Å; R302-H350 PolarHBondContact NH2-NE2 3.32Å; T348-H350 PolarHBondContact O-N 3.16Å; H350-S354 VanDerWaalsContact O-CB 3.29Å; H350-S354 WeakPolarHBondContact O-CB 3.49Å; H350-S354 PolarHBondContact O-N 3.44Å; H350-S354 PolarHBondContact O-OG 3.06Å |
| 351 | A | 96.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.7 | -43.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | S298 A301 R302 I329 T348 F349 S354 L355 | S298-A351 WeakPolarHBondContact OG-CB 3.45Å; A301-A351 HydrophobicContact CB-CB 4.17Å; R302-A351 HydrophobicContact CG-CB 3.99Å; I329-A351 HydrophobicContact CD1-CB 4.47Å; T348-A351 PolarHBondContact O-N 3.29Å; T348-A351 VanDerWaalsContact O-N 3.16Å; F349-A351 VanDerWaalsContact C-N 3.27Å; F349-A351 PolarHBondContact O-N 3.47Å; A351-S354 PolarHBondContact O-N 3.07Å; A351-L355 WeakPolarHBondContact O-CB 3.38Å; A351-L355 WeakPolarHBondContact O-CG 3.49Å; A351-L355 PolarHBondContact O-N 3.36Å |
| 352 | L | 97.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.3 | -48.8 | 179.2 | -69.1 | 165.8 | 0 | 0 | 0 | 112.5 | M326 I329 L333 T348 F349 S354 L355 A356 F400 V403 L434 | M326-L352 HydrophobicContact CE-CD2 4.35Å; I329-L352 HydrophobicContact CG2-CD1 4.13Å; I329-L352 HydrophobicContact CG2-CD2 3.88Å; I329-L352 HydrophobicContact CG2-CG 4.07Å; L333-L352 HydrophobicContact CD1-CD1 4.11Å; T348-L352 PolarHBondContact O-N 3.22Å; T348-L352 VanDerWaalsContact O-N 3.12Å; F349-L352 PolarHBondContact O-N 3.18Å; F349-L352 VanDerWaalsContact O-N 3.08Å; L352-S354 PolarHBondContact O-N 2.84Å; L352-L355 PolarHBondContact O-N 3.3Å; L352-A356 WeakPolarHBondContact O-CB 3.37Å; L352-A356 PolarHBondContact O-N 2.96Å; L352-F400 HydrophobicContact CB-CE1 4.46Å; L352-F400 HydrophobicContact CD2-CE1 4.03Å; L352-F400 HydrophobicContact CD2-CZ 4.47Å; L352-V403 HydrophobicContact CD1-CG1 4.02Å; L352-V403 HydrophobicContact CD2-CG1 4.42Å; L352-V403 HydrophobicContact CD2-CG2 3.92Å; L352-L434 HydrophobicContact CB-CD1 3.74Å; L352-L434 HydrophobicContact CB-CD2 4.37Å; L352-L434 HydrophobicContact CD1-CD2 4.03Å |
| 353 | H | 95.3 | Very high | 91.7 | Very high | 46 Ų | 46 | 37.2 Ų | 37.2 | 21% | 0.213 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -52.7 | -53.5 | 172.7 | -82.4 | -74.8 | 0 | 0 | 0 | 111.1 | F349 L355 A356 D357 D433 L434 D437 | F349-H353 WeakPolarHBondContact O-CB 3.42Å; F349-H353 PolarHBondContact O-CD2 3.28Å; F349-H353 PolarHBondContact O-N 3.33Å; H353-L355 VanDerWaalsContact C-N 3.32Å; H353-L355 PolarHBondContact O-N 2.93Å; H353-A356 PolarHBondContact O-N 2.84Å; H353-D357 WeakPolarHBondContact O-CB 3.39Å; H353-D357 PolarHBondContact O-N 3.47Å; H353-D433 VanDerWaalsContact CE1-C 3.49Å; H353-L434 WeakPolarHBondContact CE1-CA 3.49Å; H353-L434 PolarHBondContact CE1-N 3.4Å; H353-L434 VanDerWaalsContact CE1-N 3.26Å; H353-D437 IonicContact CE1-OD2 3.43Å; H353-D437 IonicContact CG-OD2 3.29Å; H353-D437 IonicContact ND1-OD2 3.71Å; H353-D437 PolarHBondContact ND1-OD2 3.41Å |
| 354 | S | 93.3 | Very high | 90.3 | Very high | 17 Ų | 17 | 36.1 Ų | 36.1 | 12% | 0.119 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.4 | -41.7 | -178.6 | -65.5 | 0 | 0 | 0 | 0 | 112.7 | R302 H350 A351 L352 D358 | R302-S354 PolarHBondContact NH1-OG 3.02Å; H350-S354 VanDerWaalsContact O-CB 3.29Å; H350-S354 WeakPolarHBondContact O-CB 3.49Å; H350-S354 PolarHBondContact O-N 3.44Å; H350-S354 PolarHBondContact O-OG 3.06Å; A351-S354 PolarHBondContact O-N 3.07Å; L352-S354 PolarHBondContact O-N 2.84Å; S354-D358 WeakPolarHBondContact O-CB 3.43Å; S354-D358 PolarHBondContact O-N 2.76Å |
| 355 | L | 94.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.6 | -42.8 | 178.9 | -83.8 | 161.9 | 0 | 0 | 0 | 111.7 | A301 R305 L308 V309 M326 A351 L352 H353 A359 F400 | A301-L355 HydrophobicContact CB-CD1 4.21Å; R305-L355 HydrophobicContact CB-CD2 4.22Å; R305-L355 HydrophobicContact CG-CD2 3.75Å; R305-L355 HydrophobicContact CG-CG 4.16Å; L308-L355 HydrophobicContact CB-CD2 4.11Å; L308-L355 HydrophobicContact CD1-CD2 4.02Å; V309-L355 HydrophobicContact CG2-CD2 4.41Å; M326-L355 HydrophobicContact SD-CD1 4.06Å; A351-L355 WeakPolarHBondContact O-CB 3.38Å; A351-L355 WeakPolarHBondContact O-CG 3.49Å; A351-L355 PolarHBondContact O-N 3.36Å; L352-L355 PolarHBondContact O-N 3.3Å; H353-L355 VanDerWaalsContact C-N 3.32Å; H353-L355 PolarHBondContact O-N 2.93Å; L355-A359 VanDerWaalsContact O-CB 3.24Å; L355-A359 WeakPolarHBondContact O-CB 3.32Å; L355-A359 PolarHBondContact O-N 3.32Å; L355-F400 HydrophobicContact CB-CZ 3.99Å |
| 356 | A | 93.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.4 | -48 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L352 H353 A359 I360 F400 D437 L441 | L352-A356 WeakPolarHBondContact O-CB 3.37Å; L352-A356 PolarHBondContact O-N 2.96Å; H353-A356 PolarHBondContact O-N 2.84Å; A356-A359 PolarHBondContact O-N 3.47Å; A356-I360 WeakPolarHBondContact O-CD1 3.36Å; A356-I360 WeakPolarHBondContact O-CG1 3.38Å; A356-I360 PolarHBondContact O-N 3.45Å; A356-F400 HydrophobicContact CB-CE1 3.94Å; A356-F400 HydrophobicContact CB-CZ 3.97Å; A356-D437 HydrophobicContact CB-CB 4.05Å; A356-L441 HydrophobicContact CB-CD2 4.44Å |
| 357 | D | 91.3 | Very high | 85 | Confident | 57 Ų | 57 | 46.1 Ų | 46.1 | 31% | 0.305 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.2 | -46.3 | -179.8 | -176.8 | 29.2 | 0 | 0 | 0 | 112.4 | H353 A359 I360 R361 | H353-D357 WeakPolarHBondContact O-CB 3.39Å; H353-D357 PolarHBondContact O-N 3.47Å; D357-A359 PolarHBondContact O-N 3.37Å; D357-I360 PolarHBondContact O-N 3.11Å; D357-R361 VanDerWaalsContact CG-CZ 3.41Å; D357-R361 VanDerWaalsContact CG-NH2 3.32Å; D357-R361 PolarHBondContact O-N 2.75Å; D357-R361 IonicContact OD1-CZ 2.96Å; D357-R361 IonicContact OD1-NH1 2.81Å; D357-R361 PolarHBondContact OD1-NH1 2.88Å; D357-R361 IonicContact OD1-NH2 3.21Å; D357-R361 IonicContact OD2-CZ 3.97Å; D357-R361 IonicContact OD2-NH1 3.42Å; D357-R361 PolarHBondContact OD2-NH1 3.18Å; D357-R361 IonicContact OD2-NH2 2.74Å; D357-R361 PolarHBondContact OD2-NH2 3.36Å |
| 358 | D | 89.1 | Confident | 82.7 | Confident | 34 Ų | 34 | 47.6 Ų | 47.6 | 18% | 0.182 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.4 | -40.3 | 174.9 | -82.1 | -2.9 | 0 | 0 | 0 | 112.1 | R305 V309 S354 I360 R361 H362 | R305-D358 VanDerWaalsContact CD-OD2 3.26Å; R305-D358 WeakPolarHBondContact CD-OD2 3.49Å; R305-D358 IonicContact CZ-OD2 2.85Å; R305-D358 IonicContact NE-OD2 2.66Å; R305-D358 PolarHBondContact NE-OD2 2.83Å; R305-D358 IonicContact NH2-OD2 3.52Å; R305-D358 PolarHBondContact NH2-OD2 2.91Å; V309-D358 HydrophobicContact CG2-CB 4.16Å; S354-D358 WeakPolarHBondContact O-CB 3.43Å; S354-D358 PolarHBondContact O-N 2.76Å; D358-I360 VanDerWaalsContact C-N 3.34Å; D358-I360 PolarHBondContact O-N 3.41Å; D358-R361 PolarHBondContact O-N 2.86Å; D358-R361 IonicContact OD1-CZ 3.94Å; D358-R361 IonicContact OD1-NE 3.06Å; D358-R361 IonicContact OD1-NH2 3.44Å; D358-R361 PolarHBondContact OD1-NH2 2.98Å; D358-H362 WeakPolarHBondContact O-CB 3.34Å; D358-H362 PolarHBondContact O-N 3.32Å |
| 359 | A | 89.6 | Confident | 80.5 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.9 | -37.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V309 L355 A356 D357 R363 V393 L396 L441 | V309-A359 HydrophobicContact CG1-CB 4.46Å; V309-A359 HydrophobicContact CG2-CB 4.35Å; L355-A359 VanDerWaalsContact O-CB 3.24Å; L355-A359 WeakPolarHBondContact O-CB 3.32Å; L355-A359 PolarHBondContact O-N 3.32Å; A356-A359 PolarHBondContact O-N 3.47Å; D357-A359 PolarHBondContact O-N 3.37Å; A359-R363 PolarHBondContact O-N 3.47Å; A359-V393 HydrophobicContact CB-CG1 4.24Å; A359-L396 HydrophobicContact CB-CD1 4.15Å; A359-L441 HydrophobicContact CB-CD1 3.81Å; A359-L441 HydrophobicContact CB-CD2 4.32Å |
| 360 | I | 87.5 | Confident | 78 | Confident | 43 Ų | 43 | 55.6 Ų | 55.6 | 22% | 0.221 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.3 | -46.8 | 174.4 | -67.9 | 160.8 | 0 | 0 | 0 | 110.7 | A356 D357 D358 H362 R363 S364 D437 L441 | A356-I360 WeakPolarHBondContact O-CD1 3.36Å; A356-I360 WeakPolarHBondContact O-CG1 3.38Å; A356-I360 PolarHBondContact O-N 3.45Å; D357-I360 PolarHBondContact O-N 3.11Å; D358-I360 VanDerWaalsContact C-N 3.34Å; D358-I360 PolarHBondContact O-N 3.41Å; I360-H362 PolarHBondContact O-N 3.44Å; I360-R363 WeakPolarHBondContact O-CB 3.34Å; I360-R363 PolarHBondContact O-N 2.83Å; I360-S364 PolarHBondContact O-N 3.2Å; I360-S364 PolarHBondContact O-OG 3.05Å; I360-D437 WeakPolarHBondContact CD1-O 3.35Å; I360-L441 HydrophobicContact CD1-CB 4.35Å; I360-L441 HydrophobicContact CG1-CB 4.1Å |
| 361 | R | 85.1 | Confident | 75.7 | Confident | 120 Ų | 120 | 56.1 Ų | 56.1 | 45% | 0.453 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.5 | -43.6 | 177 | -76.4 | -168.2 | -80.8 | -98.4 | 1.2 | 112.4 | D357 D358 R363 S364 M365 | D357-R361 VanDerWaalsContact CG-CZ 3.41Å; D357-R361 VanDerWaalsContact CG-NH2 3.32Å; D357-R361 PolarHBondContact O-N 2.75Å; D357-R361 IonicContact OD1-CZ 2.96Å; D357-R361 IonicContact OD1-NH1 2.81Å; D357-R361 PolarHBondContact OD1-NH1 2.88Å; D357-R361 IonicContact OD1-NH2 3.21Å; D357-R361 IonicContact OD2-CZ 3.97Å; D357-R361 IonicContact OD2-NH1 3.42Å; D357-R361 PolarHBondContact OD2-NH1 3.18Å; D357-R361 IonicContact OD2-NH2 2.74Å; D357-R361 PolarHBondContact OD2-NH2 3.36Å; D358-R361 PolarHBondContact O-N 2.86Å; D358-R361 IonicContact OD1-CZ 3.94Å; D358-R361 IonicContact OD1-NE 3.06Å; D358-R361 IonicContact OD1-NH2 3.44Å; D358-R361 PolarHBondContact OD1-NH2 2.98Å; R361-R363 VanDerWaalsContact C-N 3.31Å; R361-R363 PolarHBondContact O-N 3.01Å; R361-S364 PolarHBondContact O-N 3.16Å; R361-M365 PolarHBondContact O-N 3.3Å; R361-M365 VanDerWaalsContact O-N 3.08Å |
| 362 | H | 78 | Confident | 73 | Confident | 56 Ų | 56 | 63.2 Ų | 63.2 | 26% | 0.259 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.6 | -37.3 | 177.6 | -171.5 | -77.4 | 0 | 0 | 0 | 112 | V309 D310 D358 I360 S364 M365 S366 | V309-H362 HydrophobicContact CG1-CB 3.78Å; D310-H362 IonicContact OD1-CD2 2.6Å; D310-H362 PolarHBondContact OD1-CD2 3.38Å; D310-H362 VanDerWaalsContact OD1-CD2 3.29Å; D310-H362 IonicContact OD1-NE2 3.02Å; D358-H362 WeakPolarHBondContact O-CB 3.34Å; D358-H362 PolarHBondContact O-N 3.32Å; I360-H362 PolarHBondContact O-N 3.44Å; H362-S364 VanDerWaalsContact C-N 3.34Å; H362-S364 PolarHBondContact O-N 2.82Å; H362-M365 PolarHBondContact O-N 3.34Å; H362-S366 WeakPolarHBondContact O-CB 3.49Å; H362-S366 PolarHBondContact O-N 3.35Å |
| 363 | R | 68.6 | Low | 70 | Confident | 125 Ų | 125 | 70.6 Ų | 70.6 | 47% | 0.472 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.5 | -43 | 173.9 | -168.8 | -177.1 | -168.1 | 168.7 | 6.1 | 111.9 | A359 I360 R361 A367 L441 | A359-R363 PolarHBondContact O-N 3.47Å; I360-R363 WeakPolarHBondContact O-CB 3.34Å; I360-R363 PolarHBondContact O-N 2.83Å; R361-R363 VanDerWaalsContact C-N 3.31Å; R361-R363 PolarHBondContact O-N 3.01Å; R363-A367 WeakPolarHBondContact O-CB 3.39Å; R363-A367 PolarHBondContact O-N 3.24Å; R363-A367 VanDerWaalsContact O-N 3.12Å; R363-L441 PolarHBondContact NH1-O 2.76Å |
| 364 | S | 63.7 | Low | 66.9 | Low | 77 Ų | 77 | 71 Ų | 71 | 54% | 0.538 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -67 | -41.5 | 178.8 | -63.1 | 0 | 0 | 0 | 0 | 112.5 | I360 R361 H362 A367 A368 | I360-S364 PolarHBondContact O-N 3.2Å; I360-S364 PolarHBondContact O-OG 3.05Å; R361-S364 PolarHBondContact O-N 3.16Å; H362-S364 VanDerWaalsContact C-N 3.34Å; H362-S364 PolarHBondContact O-N 2.82Å; S364-A367 PolarHBondContact O-N 2.96Å; S364-A368 PolarHBondContact O-N 3.46Å |
| 365 | M | 61.1 | Low | 63.9 | Low | 138 Ų | 138 | 76.8 Ų | 76.8 | 68% | 0.68 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -67.2 | -42.8 | 177.4 | -65.1 | -175.9 | 93.1 | 0 | 0 | 112.1 | R361 H362 A367 A368 V369 | R361-M365 PolarHBondContact O-N 3.3Å; R361-M365 VanDerWaalsContact O-N 3.08Å; H362-M365 PolarHBondContact O-N 3.34Å; M365-A367 VanDerWaalsContact C-N 3.32Å; M365-A367 PolarHBondContact O-N 3.2Å; M365-A368 PolarHBondContact O-N 2.92Å; M365-V369 WeakPolarHBondContact O-CG2 3.32Å; M365-V369 PolarHBondContact O-N 3.14Å; M365-V369 VanDerWaalsContact O-N 3.08Å |
| 366 | S | 57.1 | Low | 61 | Low | 57 Ų | 57 | 84.3 Ų | 84.3 | 40% | 0.399 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.7 | -37 | 177 | -178.8 | 0 | 0 | 0 | 0 | 112.3 | H362 S370 | H362-S366 WeakPolarHBondContact O-CB 3.49Å; H362-S366 PolarHBondContact O-N 3.35Å; S366-S370 PolarHBondContact O-N 2.95Å |
| 367 | A | 56.2 | Low | 58.2 | Low | 54 Ų | 54 | 92.3 Ų | 92.3 | 45% | 0.446 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.4 | -41.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | R363 S364 M365 V369 S370 V371 | R363-A367 WeakPolarHBondContact O-CB 3.39Å; R363-A367 PolarHBondContact O-N 3.24Å; R363-A367 VanDerWaalsContact O-N 3.12Å; S364-A367 PolarHBondContact O-N 2.96Å; M365-A367 VanDerWaalsContact C-N 3.32Å; M365-A367 PolarHBondContact O-N 3.2Å; A367-V369 PolarHBondContact O-N 3.25Å; A367-S370 PolarHBondContact O-N 3.42Å; A367-V371 WeakPolarHBondContact O-CG2 3.31Å; A367-V371 PolarHBondContact O-N 3.26Å |
| 368 | A | 49.4 | Very low | 55.3 | Low | 59 Ų | 59 | 95.2 Ų | 95.2 | 49% | 0.488 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65 | -35.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | S364 M365 V371 | S364-A368 PolarHBondContact O-N 3.46Å; M365-A368 PolarHBondContact O-N 2.92Å; A368-V371 PolarHBondContact O-N 3.14Å |
| 369 | V | 50.4 | Low | 52.6 | Low | 100 Ų | 100 | 99.1 Ų | 99.1 | 61% | 0.606 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -68.5 | -35 | 176.2 | 176.2 | 0 | 0 | 0 | 0 | 111.6 | M365 A367 | M365-V369 WeakPolarHBondContact O-CG2 3.32Å; M365-V369 PolarHBondContact O-N 3.14Å; M365-V369 VanDerWaalsContact O-N 3.08Å; A367-V369 PolarHBondContact O-N 3.25Å |
| 370 | S | 45.7 | Very low | 49.9 | Very low | 79 Ų | 79 | 104.8 Ų | 104.8 | 55% | 0.552 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -70.5 | -27.4 | 174.5 | -81.5 | 0 | 0 | 0 | 0 | 113.8 | S366 A367 N372 Q373 | S366-S370 PolarHBondContact O-N 2.95Å; A367-S370 PolarHBondContact O-N 3.42Å; S370-N372 VanDerWaalsContact C-N 3.3Å; S370-N372 PolarHBondContact O-N 3Å; S370-Q373 PolarHBondContact O-N 3.05Å |
| 371 | V | 46.7 | Very low | 47.2 | Very low | 116 Ų | 116 | 109.2 Ų | 109.2 | 70% | 0.703 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -74.6 | -21.1 | 178.9 | 175.7 | 0 | 0 | 0 | 0 | 112.4 | A367 A368 Q373 | A367-V371 WeakPolarHBondContact O-CG2 3.31Å; A367-V371 PolarHBondContact O-N 3.26Å; A368-V371 PolarHBondContact O-N 3.14Å; V371-Q373 PolarHBondContact O-N 3.06Å |
| 372 | N | 40.1 | Very low | 44.6 | Very low | 150 Ų | 150 | 110.6 Ų | 110.6 | 80% | 0.802 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | 2.3 | 172.6 | -80.9 | -19.5 | 0 | 0 | 0 | 114.1 | S370 | S370-N372 VanDerWaalsContact C-N 3.3Å; S370-N372 PolarHBondContact O-N 3Å |
| 373 | Q | 35.1 | Very low | 42.3 | Very low | 154 Ų | 154 | 112.8 Ų | 112.8 | 72% | 0.72 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -108.1 | 107.9 | 165.6 | -64.3 | -174.1 | 6.6 | 0 | 0 | 107.7 | S370 V371 | S370-Q373 PolarHBondContact O-N 3.05Å; V371-Q373 PolarHBondContact O-N 3.06Å |
| 374 | G | 29 | Very low | 40.5 | Very low | 54 Ų | 54 | 114.7 Ų | 114.7 | 56% | 0.557 | 69% | 0.69 | S | S | * | * | trans | -54.4 | 159.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L376 | G374-L376 PolarHBondContact O-N 3.32Š| ||
| 375 | P | 30.8 | Very low | 38.8 | Very low | 140 Ų | 140 | 115.7 Ų | 115.7 | 91% | 0.909 | 70% | 0.703 | S | S | * | * | trans | -69.9 | 99.6 | -175.4 | 29.2 | -31.9 | 0 | 0 | 0 | 109.9 | ||||
| 376 | L | 34 | Very low | 37.2 | Very low | 158 Ų | 158 | 114.2 Ų | 114.2 | 83% | 0.827 | 71% | 0.706 | S | S | * | * | trans | -98.1 | 98.1 | 167.5 | -82.2 | 159.8 | 0 | 0 | 0 | 109.2 | G374 | G374-L376 PolarHBondContact O-N 3.32Š| ||
| 377 | E | 33.9 | Very low | 36 | Very low | 168 Ų | 168 | 117.9 Ų | 117.9 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | trans | 43.6 | 115 | 140.8 | -62.7 | -177.6 | 165.8 | 0 | 0 | 119.8 | ||||
| 378 | S | 30.5 | Very low | 34.7 | Very low | 118 Ų | 118 | 118.9 Ų | 118.9 | 83% | 0.825 | 74% | 0.742 | S | S | * | * | trans | -16.1 | 121.9 | 143.6 | 53.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 379 | S | 33.1 | Very low | 34.2 | Very low | 116 Ų | 116 | 122.5 Ų | 122.5 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | trans | -162.2 | 115.5 | 151.5 | 174.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 380 | V | 32.2 | Very low | 34.2 | Very low | 119 Ų | 119 | 123 Ų | 123 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | trans | -60.4 | 152.7 | 168.9 | 169.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 381 | N | 30.1 | Very low | 35 | Very low | 136 Ų | 136 | 127.3 Ų | 127.3 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | 79.3 | 105.5 | 170.4 | -59.2 | -26.7 | 0 | 0 | 0 | 118.2 | ||||
| 382 | N | 31.6 | Very low | 36.3 | Very low | 148 Ų | 148 | 123.6 Ų | 123.6 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | 174.3 | 134.9 | 95.8 | -96.7 | -27.2 | 0 | 0 | 0 | 112.2 | N384 | N382-N384 PolarHBondContact O-N 3.35Š| |||
| 383 | S | 28.9 | Very low | 38.1 | Very low | 102 Ų | 102 | 117 Ų | 117 | 71% | 0.713 | 71% | 0.708 | S | S | * | * | trans | -39.2 | 116.4 | 158.1 | 48 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 384 | N | 30.3 | Very low | 40.5 | Very low | 166 Ų | 166 | 111.9 Ų | 111.9 | 89% | 0.888 | 69% | 0.693 | S | S | * | * | trans | -155.8 | 108.9 | 147.9 | -94.1 | -22.3 | 0 | 0 | 0 | 109 | N382 S386 | N382-N384 PolarHBondContact O-N 3.35Å; N384-S386 PolarHBondContact O-N 3.31Å | ||
| 385 | A | 28 | Very low | 43.4 | Very low | 98 Ų | 98 | 110.9 Ų | 110.9 | 81% | 0.81 | 68% | 0.679 | S | S | * | * | trans | -68.3 | 121.6 | 171 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 386 | S | 28.3 | Very low | 46.3 | Very low | 107 Ų | 107 | 104.2 Ų | 104.2 | 75% | 0.748 | 64% | 0.636 | S | S | * | * | S | Bend | trans | 157 | 130.7 | 141.6 | 49.3 | 0 | 0 | 0 | 0 | 110.2 | N384 | N384-S386 PolarHBondContact O-N 3.31Š|
| 387 | T | 31.2 | Very low | 49.2 | Very low | 134 Ų | 134 | 99.1 Ų | 99.1 | 82% | 0.822 | 61% | 0.609 | S | S | * | * | trans | 81.5 | 51.7 | 178.6 | 74.3 | 0 | 0 | 0 | 0 | 117.4 | V389 | T387-V389 PolarHBondContact O-N 3.29Å; T387-V389 VanDerWaalsContact O-N 3.15Å | ||
| 388 | G | 28.4 | Very low | 52 | Low | 75 Ų | 75 | 94.9 Ų | 94.9 | 77% | 0.773 | 60% | 0.596 | S | S | * | * | trans | -72.8 | 100.3 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | T390 | G388-T390 VanDerWaalsContact C-N 3.26Å; G388-T390 PolarHBondContact O-N 3.16Å | ||
| 389 | V | 40.5 | Very low | 55.1 | Low | 135 Ų | 135 | 90.7 Ų | 90.7 | 82% | 0.818 | 56% | 0.562 | S | S | * | * | trans | -68.3 | 88.6 | 169 | -176.8 | 0 | 0 | 0 | 0 | 107.6 | T387 R391 | T387-V389 PolarHBondContact O-N 3.29Å; T387-V389 VanDerWaalsContact O-N 3.15Å; V389-R391 PolarHBondContact O-N 3.39Å | ||
| 390 | T | 49.7 | Very low | 58 | Low | 111 Ų | 111 | 85.1 Ų | 85.1 | 68% | 0.681 | 52% | 0.523 | S | S | * | . | trans | -53.3 | 128.1 | 165.5 | 41.6 | 0 | 0 | 0 | 0 | 108.1 | G388 | G388-T390 VanDerWaalsContact C-N 3.26Å; G388-T390 PolarHBondContact O-N 3.16Å | ||
| 391 | R | 63.2 | Low | 61 | Low | 169 Ų | 169 | 81 Ų | 81 | 64% | 0.638 | 50% | 0.498 | S | S | * | . | trans | -49.4 | 129.5 | 175.6 | -74.7 | -179.2 | 176 | 164.8 | -2.1 | 108.8 | V389 V393 A394 | V389-R391 PolarHBondContact O-N 3.39Å; R391-V393 PolarHBondContact O-N 3.46Å; R391-V393 VanDerWaalsContact O-N 3.1Å; R391-A394 VanDerWaalsContact O-CB 3.31Å; R391-A394 WeakPolarHBondContact O-CB 3.4Å; R391-A394 PolarHBondContact O-N 2.97Å | ||
| 392 | P | 72.3 | Confident | 64.1 | Low | 37 Ų | 37 | 79.1 Ų | 79.1 | 24% | 0.24 | 48% | 0.481 | C | S | . | . | G | 310 helix | trans | -43.2 | -49.3 | -178.3 | -34.3 | 37 | 0 | 0 | 0 | 113.2 | V309 D310 P312 A394 A395 | V309-P392 WeakPolarHBondContact O-CB 3.38Å; D310-P392 WeakPolarHBondContact O-CG 3.39Å; P312-P392 HydrophobicContact CG-CB 4.07Å; P312-P392 WeakPolarHBondContact CG-O 3.38Å; P392-A394 VanDerWaalsContact C-N 3.26Å; P392-A394 PolarHBondContact O-N 2.98Å; P392-A394 VanDerWaalsContact O-N 3.14Å; P392-A395 WeakPolarHBondContact O-CB 3.17Å; P392-A395 PolarHBondContact O-N 3.14Å; P392-A395 VanDerWaalsContact O-N 3.11Å |
| 393 | V | 79.3 | Confident | 67.1 | Low | 12 Ų | 12 | 72 Ų | 72 | 7% | 0.073 | 44% | 0.443 | C | S | . | . | G | 310 helix | trans | -57.6 | -31.1 | -179.7 | -177.8 | 0 | 0 | 0 | 0 | 114.1 | A359 R391 A395 L396 L441 | A359-V393 HydrophobicContact CB-CG1 4.24Å; R391-V393 PolarHBondContact O-N 3.46Å; R391-V393 VanDerWaalsContact O-N 3.1Å; V393-A395 PolarHBondContact O-N 2.88Å; V393-L396 PolarHBondContact O-N 3.04Å; V393-L441 HydrophobicContact CG1-CD1 3.34Å |
| 394 | A | 85 | Confident | 70.3 | Confident | 47 Ų | 47 | 67.2 Ų | 67.2 | 39% | 0.388 | 41% | 0.41 | S | S | . | . | G | 310 helix | trans | -65.8 | -24.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | R391 P392 L396 | R391-A394 VanDerWaalsContact O-CB 3.31Å; R391-A394 WeakPolarHBondContact O-CB 3.4Å; R391-A394 PolarHBondContact O-N 2.97Å; P392-A394 VanDerWaalsContact C-N 3.26Å; P392-A394 PolarHBondContact O-N 2.98Å; P392-A394 VanDerWaalsContact O-N 3.14Å; A394-L396 VanDerWaalsContact C-N 3.28Å; A394-L396 PolarHBondContact O-N 3.38Å |
| 395 | A | 90.1 | Very high | 73.2 | Confident | 32 Ų | 32 | 61.5 Ų | 61.5 | 26% | 0.264 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -70.2 | -23.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | P312 L323 P392 V393 Y399 | P312-A395 HydrophobicContact CB-CB 4Å; P312-A395 HydrophobicContact CG-CB 3.85Å; L323-A395 HydrophobicContact CD1-CB 4.22Å; P392-A395 WeakPolarHBondContact O-CB 3.17Å; P392-A395 PolarHBondContact O-N 3.14Å; P392-A395 VanDerWaalsContact O-N 3.11Å; V393-A395 PolarHBondContact O-N 2.88Å; A395-Y399 WeakPolarHBondContact O-CD2 3.47Å; A395-Y399 WeakPolarHBondContact O-CE2 3.42Å |
| 396 | L | 92.5 | Very high | 76.3 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -25.1 | 179.6 | -66.9 | 174.2 | 0 | 0 | 0 | 113 | V309 L323 M326 A359 V393 A394 Y399 F400 | V309-L396 HydrophobicContact CG2-CD1 4.42Å; L323-L396 HydrophobicContact CD2-CD2 3.75Å; M326-L396 HydrophobicContact CG-CD2 4.33Å; M326-L396 HydrophobicContact SD-CD2 4.46Å; A359-L396 HydrophobicContact CB-CD1 4.15Å; V393-L396 PolarHBondContact O-N 3.04Å; A394-L396 VanDerWaalsContact C-N 3.28Å; A394-L396 PolarHBondContact O-N 3.38Å; L396-Y399 PolarHBondContact O-N 3.1Å; L396-F400 HydrophobicContact CB-CD2 4.14Å; L396-F400 HydrophobicContact CB-CE2 4.29Å; L396-F400 PolarHBondContact O-N 3.46Å; L396-F400 VanDerWaalsContact O-N 3.11Å |
| 397 | I | 92.9 | Very high | 79.5 | Confident | 52 Ų | 52 | 52.2 Ų | 52.2 | 27% | 0.267 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -52.3 | -48.8 | -175.3 | -66.1 | 175 | 0 | 0 | 0 | 112.5 | Y399 F400 T401 V442 | I397-Y399 VanDerWaalsContact C-N 3.27Å; I397-Y399 PolarHBondContact O-N 3.5Å; I397-F400 PolarHBondContact O-N 2.93Å; I397-T401 PolarHBondContact O-N 3.28Å; I397-T401 PolarHBondContact O-OG1 3.3Å; I397-T401 VanDerWaalsContact O-OG1 3.08Å; I397-V442 HydrophobicContact CG2-CG1 4.2Å; I397-V442 HydrophobicContact CG2-CG2 4.39Å |
| 398 | P | 93.5 | Very high | 82.3 | Confident | 79 Ų | 79 | 46.1 Ų | 46.1 | 51% | 0.513 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.1 | -33.5 | -179.8 | -23.4 | 34.8 | 0 | 0 | 0 | 114 | R402 | P398-R402 PolarHBondContact O-N 2.91Å; P398-R402 VanDerWaalsContact O-N 3.09Å |
| 399 | Y | 95.2 | Very high | 85.2 | Confident | 29 Ų | 29 | 46 Ų | 46 | 11% | 0.114 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -71.8 | -44.4 | 178.8 | -63.7 | -90.8 | 0 | 0 | 0 | 110.8 | P315 L323 M326 E327 L330 A395 L396 I397 T401 R402 V403 | P315-Y399 WeakPolarHBondContact CG-OH 3.01Å; L323-Y399 HydrophobicContact CB-CE2 4.19Å; L323-Y399 WeakPolarHBondContact CB-OH 3.34Å; L323-Y399 HydrophobicContact CD1-CE2 3.85Å; L323-Y399 HydrophobicContact CD2-CE2 4.16Å; L323-Y399 HydrophobicContact CG-CE2 4.29Å; M326-Y399 HydrophobicContact CB-CD1 3.38Å; M326-Y399 HydrophobicContact CB-CE1 3.84Å; M326-Y399 HydrophobicContact CB-CG 3.85Å; M326-Y399 HydrophobicContact CG-CD1 4.12Å; M326-Y399 HydrophobicContact CG-CG 4.09Å; E327-Y399 WeakPolarHBondContact OE1-CE1 3.41Å; L330-Y399 HydrophobicContact CD1-CD1 3.83Å; A395-Y399 WeakPolarHBondContact O-CD2 3.47Å; A395-Y399 WeakPolarHBondContact O-CE2 3.42Å; L396-Y399 PolarHBondContact O-N 3.1Å; I397-Y399 VanDerWaalsContact C-N 3.27Å; I397-Y399 PolarHBondContact O-N 3.5Å; Y399-T401 VanDerWaalsContact C-N 3.31Å; Y399-T401 PolarHBondContact O-N 2.88Å; Y399-R402 WeakPolarHBondContact O-CB 3.11Å; Y399-R402 PolarHBondContact O-N 3.48Å; Y399-R402 VanDerWaalsContact O-N 3.14Å; Y399-V403 WeakPolarHBondContact O-CG2 3.43Å; Y399-V403 PolarHBondContact O-N 3.22Å |
| 400 | F | 95.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.7 | -33.6 | 175.4 | -83.6 | -79.5 | 0 | 0 | 0 | 112.4 | M326 L352 L355 A356 L396 I397 V403 V404 I438 L441 V442 | M326-F400 HydrophobicContact CE-CE2 4.4Å; L352-F400 HydrophobicContact CB-CE1 4.46Å; L352-F400 HydrophobicContact CD2-CE1 4.03Å; L352-F400 HydrophobicContact CD2-CZ 4.47Å; L355-F400 HydrophobicContact CB-CZ 3.99Å; A356-F400 HydrophobicContact CB-CE1 3.94Å; A356-F400 HydrophobicContact CB-CZ 3.97Å; L396-F400 HydrophobicContact CB-CD2 4.14Å; L396-F400 HydrophobicContact CB-CE2 4.29Å; L396-F400 PolarHBondContact O-N 3.46Å; L396-F400 VanDerWaalsContact O-N 3.11Å; I397-F400 PolarHBondContact O-N 2.93Å; F400-V403 WeakPolarHBondContact O-CB 3.34Å; F400-V403 PolarHBondContact O-N 3.05Å; F400-V404 WeakPolarHBondContact O-CG2 3.38Å; F400-V404 PolarHBondContact O-N 3.28Å; F400-I438 HydrophobicContact CB-CG2 4.24Å; F400-I438 HydrophobicContact CD1-CD1 4.08Å; F400-I438 HydrophobicContact CD1-CG1 3.76Å; F400-I438 HydrophobicContact CD1-CG2 4.37Å; F400-I438 HydrophobicContact CE1-CG1 4.2Å; F400-L441 HydrophobicContact CB-CD2 4.42Å; F400-L441 HydrophobicContact CD1-CD2 4.38Å; F400-L441 HydrophobicContact CD2-CD2 3.31Å; F400-L441 HydrophobicContact CE1-CD2 4.49Å; F400-L441 HydrophobicContact CE2-CD2 3.47Å; F400-L441 VanDerWaalsContact CE2-CD2 3.47Å; F400-L441 HydrophobicContact CG-CD2 3.79Å; F400-L441 HydrophobicContact CZ-CD2 4.07Å; F400-V442 HydrophobicContact CB-CG2 3.78Å |
| 401 | T | 94.1 | Very high | 89.6 | Confident | 31 Ų | 31 | 35 Ų | 35 | 19% | 0.19 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62 | -42.6 | 169.7 | -56 | 0 | 0 | 0 | 0 | 111.8 | I397 Y399 V403 V404 V405 E450 | I397-T401 PolarHBondContact O-N 3.28Å; I397-T401 PolarHBondContact O-OG1 3.3Å; I397-T401 VanDerWaalsContact O-OG1 3.08Å; Y399-T401 VanDerWaalsContact C-N 3.31Å; Y399-T401 PolarHBondContact O-N 2.88Å; T401-V403 VanDerWaalsContact C-N 3.34Å; T401-V403 PolarHBondContact O-N 3.47Å; T401-V404 WeakPolarHBondContact O-CB 3.28Å; T401-V404 PolarHBondContact O-N 3.49Å; T401-V405 PolarHBondContact O-N 3.42Å; T401-E450 HydrophobicContact CG2-CB 4.4Å; T401-E450 HydrophobicContact CG2-CG 3.81Å |
| 402 | R | 94.6 | Very high | 90.7 | Very high | 97 Ų | 97 | 28.9 Ų | 28.9 | 37% | 0.366 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -62 | -39.5 | 172.4 | -84.8 | 179.1 | 79.3 | -170.1 | 6.7 | 112.4 | E327 L330 E334 P398 Y399 V404 V405 A406 | E327-R402 IonicContact OE1-NH1 3.94Å; E327-R402 PolarHBondContact OE1-NH1 3.49Å; E327-R402 VanDerWaalsContact OE1-NH1 3.13Å; E327-R402 IonicContact OE2-NH1 2.92Å; E327-R402 PolarHBondContact OE2-NH1 3.29Å; L330-R402 HydrophobicContact CD1-CB 4.31Å; L330-R402 HydrophobicContact CD2-CB 3.85Å; E334-R402 IonicContact OE1-CZ 3.28Å; E334-R402 VanDerWaalsContact OE1-CZ 3.29Å; E334-R402 IonicContact OE1-NE 3.65Å; E334-R402 PolarHBondContact OE1-NE 2.67Å; E334-R402 VanDerWaalsContact OE1-NE 3.12Å; E334-R402 IonicContact OE1-NH2 2.76Å; E334-R402 PolarHBondContact OE1-NH2 2.9Å; E334-R402 IonicContact OE2-CZ 2.67Å; E334-R402 IonicContact OE2-NH2 3.23Å; E334-R402 PolarHBondContact OE2-NH2 3.4Å; P398-R402 PolarHBondContact O-N 2.91Å; P398-R402 VanDerWaalsContact O-N 3.09Å; Y399-R402 WeakPolarHBondContact O-CB 3.11Å; Y399-R402 PolarHBondContact O-N 3.48Å; Y399-R402 VanDerWaalsContact O-N 3.14Å; R402-V404 VanDerWaalsContact C-N 3.34Å; R402-V404 PolarHBondContact O-N 3.1Å; R402-V405 PolarHBondContact O-N 3.39Å; R402-A406 WeakPolarHBondContact O-CB 3.25Å; R402-A406 PolarHBondContact O-N 3.5Å |
| 403 | V | 96.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.1 | -47.9 | 175 | 169.4 | 0 | 0 | 0 | 0 | 110.5 | L330 L333 L352 Y399 F400 T401 V405 A406 L407 I438 | L330-V403 HydrophobicContact CD2-CG2 3.82Å; L333-V403 HydrophobicContact CD1-CB 4.36Å; L333-V403 HydrophobicContact CD1-CG1 3.98Å; L333-V403 HydrophobicContact CD1-CG2 3.98Å; L352-V403 HydrophobicContact CD1-CG1 4.02Å; L352-V403 HydrophobicContact CD2-CG1 4.42Å; L352-V403 HydrophobicContact CD2-CG2 3.92Å; Y399-V403 WeakPolarHBondContact O-CG2 3.43Å; Y399-V403 PolarHBondContact O-N 3.22Å; F400-V403 WeakPolarHBondContact O-CB 3.34Å; F400-V403 PolarHBondContact O-N 3.05Å; T401-V403 VanDerWaalsContact C-N 3.34Å; T401-V403 PolarHBondContact O-N 3.47Å; V403-V405 VanDerWaalsContact C-N 3.31Å; V403-V405 PolarHBondContact O-N 2.92Å; V403-A406 PolarHBondContact O-N 3.35Å; V403-L407 HydrophobicContact CG1-CD1 3.88Å; V403-L407 HydrophobicContact CG1-CG 4.25Å; V403-L407 VanDerWaalsContact O-CG 3.28Å; V403-L407 WeakPolarHBondContact O-CG 3.39Å; V403-L407 PolarHBondContact O-N 2.98Å; V403-I438 HydrophobicContact CG1-CD1 3.98Å |
| 404 | V | 94.6 | Very high | 90.4 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -54.7 | -48.5 | 176.8 | 173.9 | 0 | 0 | 0 | 0 | 111 | F400 T401 R402 L407 T408 M435 I438 I447 L451 M484 | F400-V404 WeakPolarHBondContact O-CG2 3.38Å; F400-V404 PolarHBondContact O-N 3.28Å; T401-V404 WeakPolarHBondContact O-CB 3.28Å; T401-V404 PolarHBondContact O-N 3.49Å; R402-V404 VanDerWaalsContact C-N 3.34Å; R402-V404 PolarHBondContact O-N 3.1Å; V404-L407 PolarHBondContact O-N 3.07Å; V404-T408 PolarHBondContact O-N 3.37Å; V404-M435 HydrophobicContact CB-SD 4.42Å; V404-M435 HydrophobicContact CG1-CE 4.05Å; V404-M435 HydrophobicContact CG1-SD 4.15Å; V404-M435 HydrophobicContact CG2-CE 4.28Å; V404-M435 HydrophobicContact CG2-SD 3.77Å; V404-I438 HydrophobicContact CG2-CD1 4.35Å; V404-I438 HydrophobicContact CG2-CG2 3.8Å; V404-I447 HydrophobicContact CG1-CG2 4.19Å; V404-L451 HydrophobicContact CG1-CD1 4.47Å; V404-L451 HydrophobicContact CG1-CD2 3.93Å; V404-L451 HydrophobicContact CG1-CG 4.25Å; V404-M484 HydrophobicContact CG1-CE 4.47Å |
| 405 | V | 92.3 | Very high | 89.2 | Confident | 45 Ų | 45 | 34.2 Ų | 34.2 | 27% | 0.273 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63.4 | -43.7 | 179.6 | 177.6 | 0 | 0 | 0 | 0 | 111.1 | T401 R402 V403 L407 T408 E450 | T401-V405 PolarHBondContact O-N 3.42Å; R402-V405 PolarHBondContact O-N 3.39Å; V403-V405 VanDerWaalsContact C-N 3.31Å; V403-V405 PolarHBondContact O-N 2.92Å; V405-L407 VanDerWaalsContact C-N 3.34Å; V405-L407 PolarHBondContact O-N 3.15Å; V405-T408 WeakPolarHBondContact O-CB 3.49Å; V405-T408 PolarHBondContact O-N 2.88Å; V405-T408 PolarHBondContact O-OG1 3.11Å; V405-E450 HydrophobicContact CG2-CG 3.93Å |
| 406 | A | 93.4 | Very high | 87.6 | Confident | 11 Ų | 11 | 38.9 Ų | 38.9 | 9% | 0.091 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.7 | -41.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L333 E334 R402 V403 T408 S409 | L333-A406 HydrophobicContact CB-CB 3.91Å; E334-A406 HydrophobicContact CG-CB 4.23Å; R402-A406 WeakPolarHBondContact O-CB 3.25Å; R402-A406 PolarHBondContact O-N 3.5Å; V403-A406 PolarHBondContact O-N 3.35Å; A406-T408 PolarHBondContact O-N 3.48Å; A406-S409 WeakPolarHBondContact O-CB 3.49Å; A406-S409 PolarHBondContact O-N 3.23Å; A406-S409 VanDerWaalsContact O-N 3.14Å; A406-S409 PolarHBondContact O-OG 3.08Å |
| 407 | L | 94.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.1 | -28.8 | 178.8 | -69 | 173.4 | 0 | 0 | 0 | 113.2 | L333 F349 V403 V404 V405 S409 Y410 C411 V431 L434 M484 | L333-L407 HydrophobicContact CD2-CD2 4.15Å; F349-L407 HydrophobicContact CE1-CD2 3.71Å; F349-L407 HydrophobicContact CZ-CD2 3.94Å; V403-L407 HydrophobicContact CG1-CD1 3.88Å; V403-L407 HydrophobicContact CG1-CG 4.25Å; V403-L407 VanDerWaalsContact O-CG 3.28Å; V403-L407 WeakPolarHBondContact O-CG 3.39Å; V403-L407 PolarHBondContact O-N 2.98Å; V404-L407 PolarHBondContact O-N 3.07Å; V405-L407 VanDerWaalsContact C-N 3.34Å; V405-L407 PolarHBondContact O-N 3.15Å; L407-S409 PolarHBondContact O-N 3.06Å; L407-S409 VanDerWaalsContact O-N 3.15Å; L407-Y410 PolarHBondContact O-N 3.18Å; L407-Y410 VanDerWaalsContact O-N 3.16Å; L407-C411 PolarHBondContact O-SG 2.95Å; L407-C411 VanDerWaalsContact O-SG 3.34Å; L407-V431 HydrophobicContact CD1-CG1 4.43Å; L407-V431 HydrophobicContact CD2-CG2 4.39Å; L407-L434 HydrophobicContact CD1-CD2 3.89Å; L407-M484 HydrophobicContact CB-CE 3.93Å; L407-M484 HydrophobicContact CD1-CE 4.48Å |
| 408 | T | 91.6 | Very high | 84.7 | Confident | 5 Ų | 5 | 45.5 Ų | 45.5 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.7 | -29.3 | 176.2 | 67.7 | 0 | 0 | 0 | 0 | 112.7 | V404 V405 A406 Y410 P412 L451 A480 M484 | V404-T408 PolarHBondContact O-N 3.37Å; V405-T408 WeakPolarHBondContact O-CB 3.49Å; V405-T408 PolarHBondContact O-N 2.88Å; V405-T408 PolarHBondContact O-OG1 3.11Å; A406-T408 PolarHBondContact O-N 3.48Å; T408-Y410 VanDerWaalsContact C-N 3.3Å; T408-Y410 PolarHBondContact O-N 3.01Å; T408-P412 WeakPolarHBondContact O-CD 3.43Å; T408-L451 HydrophobicContact CG2-CD2 3.82Å; T408-A480 VanDerWaalsContact O-CB 3.29Å; T408-A480 WeakPolarHBondContact O-CB 3.38Å; T408-M484 HydrophobicContact CG2-CG 4.17Å |
| 409 | S | 89.1 | Confident | 83.2 | Confident | 72 Ų | 72 | 48.8 Ų | 48.8 | 50% | 0.503 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -19.9 | -177.8 | 70.4 | 0 | 0 | 0 | 0 | 114.3 | A406 L407 P412 | A406-S409 WeakPolarHBondContact O-CB 3.49Å; A406-S409 PolarHBondContact O-N 3.23Å; A406-S409 VanDerWaalsContact O-N 3.14Å; A406-S409 PolarHBondContact O-OG 3.08Å; L407-S409 PolarHBondContact O-N 3.06Å; L407-S409 VanDerWaalsContact O-N 3.15Å; S409-P412 WeakPolarHBondContact O-CD 3.4Å |
| 410 | Y | 90.6 | Very high | 82.2 | Confident | 16 Ų | 16 | 48.3 Ų | 48.3 | 6% | 0.063 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -14.5 | -178.7 | -61.8 | -78.6 | 0 | 0 | 0 | 113.8 | L333 I335 R342 A345 L407 T408 F427 | L333-Y410 WeakPolarHBondContact O-CE2 3.47Å; L333-Y410 PolarHBondContact O-OH 3.05Å; I335-Y410 PolarHBondContact O-OH 3.03Å; R342-Y410 HydrophobicContact CG-CD1 4.5Å; R342-Y410 PolarHBondContact NE-O 2.48Å; A345-Y410 HydrophobicContact CB-CD2 4.35Å; A345-Y410 HydrophobicContact CB-CE1 4.41Å; A345-Y410 HydrophobicContact CB-CE2 4.25Å; A345-Y410 HydrophobicContact CB-CG 4.49Å; L407-Y410 PolarHBondContact O-N 3.18Å; L407-Y410 VanDerWaalsContact O-N 3.16Å; T408-Y410 VanDerWaalsContact C-N 3.3Å; T408-Y410 PolarHBondContact O-N 3.01Å; Y410-F427 VanDerWaalsContact CB-CE1 3.47Å; Y410-F427 HydrophobicContact CG-CZ 4.26Å |
| 411 | C | 90.4 | Very high | 81.1 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | trans | -83.6 | -10.5 | -178.8 | -64 | 0 | 0 | 0 | 0 | 117.1 | L407 S413 R428 A480 F483 | L407-C411 PolarHBondContact O-SG 2.95Å; L407-C411 VanDerWaalsContact O-SG 3.34Å; C411-S413 PolarHBondContact O-N 3.3Å; C411-R428 VanDerWaalsContact O-CZ 3.31Å; C411-R428 PolarHBondContact O-NE 2.87Å; C411-R428 VanDerWaalsContact O-NE 3.09Å; C411-R428 PolarHBondContact O-NH2 3.06Å; C411-A480 HydrophobicContact CB-CB 3.85Å; C411-F483 HydrophobicContact CB-CD1 4.21Å | ||
| 412 | P | 86.8 | Confident | 80.4 | Confident | 41 Ų | 41 | 52.6 Ų | 52.6 | 27% | 0.266 | 30% | 0.297 | S | S | . | . | trans | -62.2 | 137.2 | -176.1 | -23.7 | 33.1 | 0 | 0 | 0 | 114.4 | T408 S409 N414 E479 A480 | T408-P412 WeakPolarHBondContact O-CD 3.43Å; S409-P412 WeakPolarHBondContact O-CD 3.4Å; P412-N414 VanDerWaalsContact C-N 3.31Å; P412-N414 PolarHBondContact O-N 3.46Å; P412-N414 PolarHBondContact O-OD1 3.17Å; P412-E479 WeakPolarHBondContact CA-OE2 3.45Å; P412-A480 HydrophobicContact CB-CB 4.41Å; P412-A480 HydrophobicContact CG-CB 3.88Å | ||
| 413 | S | 77.7 | Confident | 79.9 | Confident | 41 Ų | 41 | 53.5 Ų | 53.5 | 29% | 0.287 | 31% | 0.306 | S | S | . | . | trans | -76.6 | 74.6 | 171.1 | -59.7 | 0 | 0 | 0 | 0 | 111.6 | C411 R428 E479 | C411-S413 PolarHBondContact O-N 3.3Å; S413-R428 PolarHBondContact OG-NH1 3.08Å; S413-R428 PolarHBondContact OG-NH2 3.43Å; S413-R428 VanDerWaalsContact OG-NH2 3.08Å; S413-E479 WeakPolarHBondContact CB-OE1 3.36Å; S413-E479 PolarHBondContact N-OE2 3.47Å; S413-E479 PolarHBondContact OG-OE1 3.01Å | ||
| 414 | N | 67.6 | Low | 79.5 | Confident | 118 Ų | 118 | 54 Ų | 54 | 63% | 0.631 | 31% | 0.308 | S | S | * | . | trans | -108.6 | 9.2 | -174 | 64.2 | -2.6 | 0 | 0 | 0 | 114.8 | P412 | P412-N414 VanDerWaalsContact C-N 3.31Å; P412-N414 PolarHBondContact O-N 3.46Å; P412-N414 PolarHBondContact O-OD1 3.17Å | ||
| 415 | T | 60.2 | Low | 79 | Confident | 49 Ų | 49 | 58.8 Ų | 58.8 | 30% | 0.301 | 33% | 0.326 | S | S | . | . | trans | -110.2 | 150.3 | -177.1 | 68.4 | 0 | 0 | 0 | 0 | 112.2 | S420 | T415-S420 WeakPolarHBondContact CB-OG 3.25Å; T415-S420 PolarHBondContact OG1-OG 2.97Å; T415-S420 VanDerWaalsContact OG1-OG 3.06Å | ||
| 416 | S | 56.7 | Low | 78.9 | Confident | 130 Ų | 130 | 60.5 Ų | 60.5 | 91% | 0.909 | 33% | 0.334 | S | S | * | . | trans | -113.3 | -10.4 | 175.8 | 56.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 417 | D | 65.1 | Low | 78.8 | Confident | 86 Ų | 86 | 60.4 Ų | 60.4 | 46% | 0.46 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -84.7 | 139.3 | 178.9 | 172.7 | 59.5 | 0 | 0 | 0 | 110.8 | E419 S420 T421 | D417-E419 PolarHBondContact OD2-N 3.27Å; D417-S420 PolarHBondContact O-OG 2.93Å; D417-S420 PolarHBondContact OD2-N 3.29Å; D417-T421 PolarHBondContact O-N 2.83Å; D417-T421 VanDerWaalsContact O-N 3.08Å; D417-T421 PolarHBondContact O-OG1 3.38Å |
| 418 | L | 60.4 | Low | 78.7 | Confident | 104 Ų | 104 | 61.3 Ų | 61.3 | 55% | 0.545 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.9 | -44.5 | -173.8 | -83.6 | 168 | 0 | 0 | 0 | 112.4 | S420 T421 D422 P567 | L418-S420 VanDerWaalsContact C-N 3.33Å; L418-S420 PolarHBondContact O-N 2.93Å; L418-T421 WeakPolarHBondContact O-CA 3.48Å; L418-T421 VanDerWaalsContact O-CB 3.31Å; L418-T421 WeakPolarHBondContact O-CB 3.26Å; L418-T421 PolarHBondContact O-N 2.97Å; L418-D422 PolarHBondContact O-N 3.48Å; L418-P567 HydrophobicContact CD2-CB 3.89Å; L418-P567 HydrophobicContact CD2-CG 3.42Å; L418-P567 VanDerWaalsContact CD2-CG 3.42Å; L418-P567 HydrophobicContact CG-CG 4.4Å |
| 419 | E | 61.9 | Low | 78.7 | Confident | 148 Ų | 148 | 66.2 Ų | 66.2 | 69% | 0.692 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -61 | -47.2 | -179.8 | -63.8 | -180 | 169.1 | 0 | 0 | 109.8 | D417 T421 D422 E423 | D417-E419 PolarHBondContact OD2-N 3.27Å; E419-T421 PolarHBondContact O-N 2.94Å; E419-D422 PolarHBondContact O-N 3.01Å; E419-E423 WeakPolarHBondContact O-CG 3.49Å; E419-E423 PolarHBondContact O-N 2.77Å |
| 420 | S | 72.6 | Confident | 79 | Confident | 20 Ų | 20 | 66.6 Ų | 66.6 | 14% | 0.14 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.6 | -21.4 | 175.1 | 73.5 | 0 | 0 | 0 | 0 | 114.5 | T415 D417 L418 L424 | T415-S420 WeakPolarHBondContact CB-OG 3.25Å; T415-S420 PolarHBondContact OG1-OG 2.97Å; T415-S420 VanDerWaalsContact OG1-OG 3.06Å; D417-S420 PolarHBondContact O-OG 2.93Å; D417-S420 PolarHBondContact OD2-N 3.29Å; L418-S420 VanDerWaalsContact C-N 3.33Å; L418-S420 PolarHBondContact O-N 2.93Å; S420-L424 WeakPolarHBondContact O-CB 3.12Å; S420-L424 PolarHBondContact O-N 3.49Å; S420-L424 VanDerWaalsContact O-N 3.15Å |
| 421 | T | 73.8 | Confident | 79.2 | Confident | 46 Ų | 46 | 65.8 Ų | 65.8 | 28% | 0.282 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -77.4 | -41.5 | 176.4 | -57.3 | 0 | 0 | 0 | 0 | 110.7 | D417 L418 E419 L424 R425 | D417-T421 PolarHBondContact O-N 2.83Å; D417-T421 VanDerWaalsContact O-N 3.08Å; D417-T421 PolarHBondContact O-OG1 3.38Å; L418-T421 WeakPolarHBondContact O-CA 3.48Å; L418-T421 VanDerWaalsContact O-CB 3.31Å; L418-T421 WeakPolarHBondContact O-CB 3.26Å; L418-T421 PolarHBondContact O-N 2.97Å; E419-T421 PolarHBondContact O-N 2.94Å; T421-L424 PolarHBondContact O-N 3.02Å; T421-R425 PolarHBondContact O-N 2.83Å |
| 422 | D | 78.7 | Confident | 79.3 | Confident | 74 Ų | 74 | 68.3 Ų | 68.3 | 40% | 0.396 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -66.2 | -44.1 | 174.4 | -77 | -37.4 | 0 | 0 | 0 | 110.8 | L418 E419 L424 R425 D426 | L418-D422 PolarHBondContact O-N 3.48Å; E419-D422 PolarHBondContact O-N 3.01Å; D422-L424 VanDerWaalsContact C-N 3.3Å; D422-L424 PolarHBondContact O-N 3.46Å; D422-R425 WeakPolarHBondContact O-CB 3.29Å; D422-R425 PolarHBondContact O-N 3.22Å; D422-R425 IonicContact OD1-CZ 2.69Å; D422-R425 VanDerWaalsContact OD1-CZ 3.25Å; D422-R425 IonicContact OD1-NH1 3.86Å; D422-R425 PolarHBondContact OD1-NH1 3.11Å; D422-R425 IonicContact OD1-NH2 3.78Å; D422-R425 PolarHBondContact OD1-NH2 2.92Å; D422-D426 PolarHBondContact O-N 3.47Å |
| 423 | E | 84 | Confident | 79.6 | Confident | 117 Ų | 117 | 71 Ų | 71 | 55% | 0.547 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.5 | -39.3 | 173.6 | -71.1 | 178.3 | 174.6 | 0 | 0 | 112.9 | E419 F427 | E419-E423 WeakPolarHBondContact O-CG 3.49Å; E419-E423 PolarHBondContact O-N 2.77Å; E423-F427 VanDerWaalsContact O-CB 3.31Å; E423-F427 WeakPolarHBondContact O-CB 3.18Å; E423-F427 PolarHBondContact O-N 3.43Å |
| 424 | L | 87 | Confident | 80.4 | Confident | 9 Ų | 9 | 69 Ų | 69 | 5% | 0.047 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.5 | -38.7 | 174.7 | 171.9 | 62.7 | 0 | 0 | 0 | 111.6 | S420 T421 D422 R428 | S420-L424 WeakPolarHBondContact O-CB 3.12Å; S420-L424 PolarHBondContact O-N 3.49Å; S420-L424 VanDerWaalsContact O-N 3.15Å; T421-L424 PolarHBondContact O-N 3.02Å; D422-L424 VanDerWaalsContact C-N 3.3Å; D422-L424 PolarHBondContact O-N 3.46Å; L424-R428 HydrophobicContact CD1-CG 4.06Å; L424-R428 HydrophobicContact CG-CG 4.47Å; L424-R428 VanDerWaalsContact O-CB 3.3Å; L424-R428 WeakPolarHBondContact O-CB 3.46Å; L424-R428 VanDerWaalsContact O-CG 3.31Å; L424-R428 WeakPolarHBondContact O-CG 3.11Å; L424-R428 PolarHBondContact O-N 3.38Å |
| 425 | R | 85.4 | Confident | 81.7 | Confident | 102 Ų | 102 | 63.4 Ų | 63.4 | 39% | 0.385 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.3 | -49.3 | 178 | -173.7 | -176.8 | 66.2 | -125.4 | -13.3 | 110.5 | T421 D422 F427 R428 E429 | T421-R425 PolarHBondContact O-N 2.83Å; D422-R425 WeakPolarHBondContact O-CB 3.29Å; D422-R425 PolarHBondContact O-N 3.22Å; D422-R425 IonicContact OD1-CZ 2.69Å; D422-R425 VanDerWaalsContact OD1-CZ 3.25Å; D422-R425 IonicContact OD1-NH1 3.86Å; D422-R425 PolarHBondContact OD1-NH1 3.11Å; D422-R425 IonicContact OD1-NH2 3.78Å; D422-R425 PolarHBondContact OD1-NH2 2.92Å; R425-F427 VanDerWaalsContact C-N 3.31Å; R425-F427 PolarHBondContact O-N 3.43Å; R425-R428 WeakPolarHBondContact O-CB 3.22Å; R425-R428 PolarHBondContact O-N 2.79Å; R425-R428 VanDerWaalsContact O-N 3.07Å; R425-E429 WeakPolarHBondContact O-CG 3.48Å; R425-E429 PolarHBondContact O-N 3.31Å |
| 426 | D | 89.1 | Confident | 83.2 | Confident | 82 Ų | 82 | 63.9 Ų | 63.9 | 44% | 0.439 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.9 | -44.2 | 179.1 | -64.1 | -3.2 | 0 | 0 | 0 | 110.3 | D422 R428 E429 D430 | D422-D426 PolarHBondContact O-N 3.47Å; D426-R428 PolarHBondContact O-N 3.35Å; D426-E429 WeakPolarHBondContact O-CB 3.47Å; D426-E429 PolarHBondContact O-N 2.86Å; D426-D430 PolarHBondContact O-N 3.21Å |
| 427 | F | 92.3 | Very high | 84.8 | Confident | 8 Ų | 8 | 60 Ų | 60 | 4% | 0.035 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.3 | -39.2 | 174.4 | 179.5 | -97.9 | 0 | 0 | 0 | 113.2 | R342 A345 S346 F349 Y410 E423 R425 E429 D430 V431 | R342-F427 HydrophobicContact CB-CD1 4.42Å; R342-F427 HydrophobicContact CB-CD2 3.67Å; R342-F427 HydrophobicContact CB-CE2 3.86Å; R342-F427 HydrophobicContact CB-CG 3.96Å; R342-F427 HydrophobicContact CB-CZ 4.33Å; R342-F427 HydrophobicContact CG-CD1 3.98Å; R342-F427 HydrophobicContact CG-CD2 4.14Å; R342-F427 HydrophobicContact CG-CE1 4.1Å; R342-F427 HydrophobicContact CG-CE2 4.23Å; R342-F427 HydrophobicContact CG-CG 3.99Å; R342-F427 HydrophobicContact CG-CZ 4.21Å; R342-F427 WeakPolarHBondContact O-CE2 3.22Å; A345-F427 HydrophobicContact CB-CE2 4.32Å; A345-F427 HydrophobicContact CB-CZ 4.41Å; S346-F427 WeakPolarHBondContact OG-CD2 3.33Å; S346-F427 WeakPolarHBondContact OG-CE2 3.41Å; F349-F427 HydrophobicContact CE2-CE2 4.12Å; F349-F427 HydrophobicContact CZ-CD2 4.48Å; F349-F427 AromaticContact CZ-CE2 3.65Å; F349-F427 HydrophobicContact CZ-CE2 3.65Å; F349-F427 AromaticContact CZ-CZ 3.93Å; F349-F427 HydrophobicContact CZ-CZ 3.93Å; Y410-F427 VanDerWaalsContact CB-CE1 3.47Å; Y410-F427 HydrophobicContact CG-CZ 4.26Å; E423-F427 VanDerWaalsContact O-CB 3.31Å; E423-F427 WeakPolarHBondContact O-CB 3.18Å; E423-F427 PolarHBondContact O-N 3.43Å; R425-F427 VanDerWaalsContact C-N 3.31Å; R425-F427 PolarHBondContact O-N 3.43Å; F427-E429 VanDerWaalsContact C-N 3.33Å; F427-D430 PolarHBondContact O-N 2.6Å; F427-V431 HydrophobicContact CD1-CG2 4.03Å; F427-V431 HydrophobicContact CE1-CG2 3.56Å; F427-V431 HydrophobicContact CE2-CG2 4.3Å; F427-V431 HydrophobicContact CZ-CG2 3.72Å; F427-V431 WeakPolarHBondContact O-CG2 3.36Å; F427-V431 PolarHBondContact O-N 2.98Å |
| 428 | R | 92.4 | Very high | 86.2 | Confident | 20 Ų | 20 | 56 Ų | 56 | 8% | 0.075 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.1 | -37.1 | 176.8 | -87.4 | -179.7 | 170.2 | -162 | -8.6 | 111.9 | C411 S413 L424 R425 D426 V431 H432 E479 F483 | C411-R428 VanDerWaalsContact O-CZ 3.31Å; C411-R428 PolarHBondContact O-NE 2.87Å; C411-R428 VanDerWaalsContact O-NE 3.09Å; C411-R428 PolarHBondContact O-NH2 3.06Å; S413-R428 PolarHBondContact OG-NH1 3.08Å; S413-R428 PolarHBondContact OG-NH2 3.43Å; S413-R428 VanDerWaalsContact OG-NH2 3.08Å; L424-R428 HydrophobicContact CD1-CG 4.06Å; L424-R428 HydrophobicContact CG-CG 4.47Å; L424-R428 VanDerWaalsContact O-CB 3.3Å; L424-R428 WeakPolarHBondContact O-CB 3.46Å; L424-R428 VanDerWaalsContact O-CG 3.31Å; L424-R428 WeakPolarHBondContact O-CG 3.11Å; L424-R428 PolarHBondContact O-N 3.38Å; R425-R428 WeakPolarHBondContact O-CB 3.22Å; R425-R428 PolarHBondContact O-N 2.79Å; R425-R428 VanDerWaalsContact O-N 3.07Å; D426-R428 PolarHBondContact O-N 3.35Å; R428-V431 PolarHBondContact O-N 3.24Å; R428-H432 WeakPolarHBondContact O-CB 3.47Å; R428-H432 PolarHBondContact O-N 3.08Å; R428-E479 IonicContact CZ-OE1 3.88Å; R428-E479 IonicContact NH1-OE1 2.79Å; R428-E479 PolarHBondContact NH1-OE1 3.31Å; R428-E479 IonicContact NH2-OE1 2.82Å; R428-E479 PolarHBondContact NH2-OE1 2.8Å; R428-E479 IonicContact NH2-OE2 2.64Å; R428-E479 PolarHBondContact NH2-OE2 2.88Å; R428-F483 HydrophobicContact CB-CE1 3.9Å; R428-F483 HydrophobicContact CB-CE2 3.98Å; R428-F483 HydrophobicContact CB-CZ 3.42Å; R428-F483 VanDerWaalsContact CB-CZ 3.42Å; R428-F483 HydrophobicContact CG-CD1 4.18Å; R428-F483 HydrophobicContact CG-CE1 3.66Å; R428-F483 HydrophobicContact CG-CE2 4.09Å; R428-F483 HydrophobicContact CG-CZ 3.63Å; R428-F483 WeakPolarHBondContact O-CZ 3.49Å |
| 429 | E | 91.8 | Very high | 87.6 | Confident | 108 Ų | 108 | 51.1 Ų | 51.1 | 51% | 0.505 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.9 | -48.3 | 173.1 | -70.6 | 175.9 | -170.8 | 0 | 0 | 110.6 | R425 D426 F427 V431 H432 D433 | R425-E429 WeakPolarHBondContact O-CG 3.48Å; R425-E429 PolarHBondContact O-N 3.31Å; D426-E429 WeakPolarHBondContact O-CB 3.47Å; D426-E429 PolarHBondContact O-N 2.86Å; F427-E429 VanDerWaalsContact C-N 3.33Å; E429-V431 VanDerWaalsContact C-N 3.31Å; E429-V431 PolarHBondContact O-N 3.46Å; E429-H432 WeakPolarHBondContact O-CB 3.38Å; E429-H432 PolarHBondContact O-N 3.44Å; E429-D433 PolarHBondContact O-N 3.27Å |
| 430 | D | 94.2 | Very high | 88.9 | Confident | 79 Ų | 79 | 45.5 Ų | 45.5 | 42% | 0.422 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -58.3 | -41.4 | 175 | -73.6 | -23.5 | 0 | 0 | 0 | 112.4 | F349 D426 F427 D433 L434 | F349-D430 HydrophobicContact CD2-CB 3.92Å; F349-D430 HydrophobicContact CE2-CB 3.73Å; D426-D430 PolarHBondContact O-N 3.21Å; F427-D430 PolarHBondContact O-N 2.6Å; D430-D433 PolarHBondContact O-N 3.36Å; D430-L434 PolarHBondContact O-N 3.36Å |
| 431 | V | 95.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.4 | -39.4 | 175.4 | 170 | 0 | 0 | 0 | 0 | 111.5 | F349 L407 F427 R428 E429 D433 L434 M435 M484 | F349-V431 HydrophobicContact CE2-CG2 3.91Å; F349-V431 HydrophobicContact CZ-CG2 3.67Å; L407-V431 HydrophobicContact CD1-CG1 4.43Å; L407-V431 HydrophobicContact CD2-CG2 4.39Å; F427-V431 HydrophobicContact CD1-CG2 4.03Å; F427-V431 HydrophobicContact CE1-CG2 3.56Å; F427-V431 HydrophobicContact CE2-CG2 4.3Å; F427-V431 HydrophobicContact CZ-CG2 3.72Å; F427-V431 WeakPolarHBondContact O-CG2 3.36Å; F427-V431 PolarHBondContact O-N 2.98Å; R428-V431 PolarHBondContact O-N 3.24Å; E429-V431 VanDerWaalsContact C-N 3.31Å; E429-V431 PolarHBondContact O-N 3.46Å; V431-D433 VanDerWaalsContact C-N 3.34Å; V431-L434 PolarHBondContact O-N 3.06Å; V431-M435 HydrophobicContact CG1-CG 4.27Å; V431-M435 WeakPolarHBondContact O-CB 3.08Å; V431-M435 WeakPolarHBondContact O-CG 3.48Å; V431-M435 PolarHBondContact O-N 3.19Å; V431-M484 HydrophobicContact CG1-CE 3.79Å; V431-M484 HydrophobicContact CG1-SD 3.42Å; V431-M484 WeakPolarHBondContact CG1-SD 3.42Å |
| 432 | H | 92.7 | Very high | 90.6 | Very high | 53 Ų | 53 | 43.2 Ų | 43.2 | 25% | 0.245 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.4 | -45.8 | 176.4 | -175.3 | 99.8 | 0 | 0 | 0 | 110.7 | R428 E429 M435 Q436 T487 | R428-H432 WeakPolarHBondContact O-CB 3.47Å; R428-H432 PolarHBondContact O-N 3.08Å; E429-H432 WeakPolarHBondContact O-CB 3.38Å; E429-H432 PolarHBondContact O-N 3.44Å; H432-M435 WeakPolarHBondContact O-CB 3.28Å; H432-M435 PolarHBondContact O-N 3.47Å; H432-Q436 PolarHBondContact NE2-NE2 3.37Å; H432-Q436 VanDerWaalsContact NE2-NE2 3.16Å; H432-Q436 WeakPolarHBondContact O-CG 3.38Å; H432-Q436 PolarHBondContact O-N 2.98Å; H432-Q436 VanDerWaalsContact O-N 3.1Å; H432-T487 HydrophobicContact CB-CG2 4.3Å; H432-T487 VanDerWaalsContact ND1-CG2 3.26Å; H432-T487 WeakPolarHBondContact ND1-CG2 3.39Å |
| 433 | D | 92.9 | Very high | 91.1 | Very high | 96 Ų | 96 | 40.9 Ų | 40.9 | 51% | 0.513 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.8 | -45.8 | 177.6 | -76.9 | -8.7 | 0 | 0 | 0 | 111.6 | H353 E429 D430 V431 M435 Q436 | H353-D433 VanDerWaalsContact CE1-C 3.49Å; E429-D433 PolarHBondContact O-N 3.27Å; D430-D433 PolarHBondContact O-N 3.36Å; V431-D433 VanDerWaalsContact C-N 3.34Å; D433-M435 VanDerWaalsContact C-N 3.32Å; D433-M435 PolarHBondContact O-N 2.85Å; D433-Q436 WeakPolarHBondContact O-CB 3.49Å; D433-Q436 PolarHBondContact O-N 2.83Å |
| 434 | L | 94.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.3 | -42.3 | 175.3 | 177 | 59 | 0 | 0 | 0 | 112 | F349 L352 H353 L407 D430 V431 Q436 D437 I438 | F349-L434 HydrophobicContact CD1-CD2 3.79Å; F349-L434 HydrophobicContact CE1-CD2 4.07Å; F349-L434 HydrophobicContact CG-CD2 4.04Å; L352-L434 HydrophobicContact CB-CD1 3.74Å; L352-L434 HydrophobicContact CB-CD2 4.37Å; L352-L434 HydrophobicContact CD1-CD2 4.03Å; H353-L434 WeakPolarHBondContact CE1-CA 3.49Å; H353-L434 PolarHBondContact CE1-N 3.4Å; H353-L434 VanDerWaalsContact CE1-N 3.26Å; L407-L434 HydrophobicContact CD1-CD2 3.89Å; D430-L434 PolarHBondContact O-N 3.36Å; V431-L434 PolarHBondContact O-N 3.06Å; L434-Q436 VanDerWaalsContact C-N 3.3Å; L434-Q436 PolarHBondContact O-N 3Å; L434-D437 PolarHBondContact O-N 2.88Å; L434-I438 HydrophobicContact CD1-CD1 4.21Å; L434-I438 HydrophobicContact CD1-CG1 4.31Å; L434-I438 HydrophobicContact CD2-CD1 4.49Å; L434-I438 HydrophobicContact CG-CD1 3.93Å; L434-I438 HydrophobicContact CG-CG1 4.43Å; L434-I438 WeakPolarHBondContact O-CG1 3.33Å; L434-I438 PolarHBondContact O-N 3.47Å; L434-I438 VanDerWaalsContact O-N 3.1Å |
| 435 | M | 94.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.9 | -41 | 176.5 | -78.3 | -68.6 | -70.5 | 0 | 0 | 111.5 | V404 V431 H432 D433 D437 I438 L439 I447 M484 T487 | V404-M435 HydrophobicContact CB-SD 4.42Å; V404-M435 HydrophobicContact CG1-CE 4.05Å; V404-M435 HydrophobicContact CG1-SD 4.15Å; V404-M435 HydrophobicContact CG2-CE 4.28Å; V404-M435 HydrophobicContact CG2-SD 3.77Å; V431-M435 HydrophobicContact CG1-CG 4.27Å; V431-M435 WeakPolarHBondContact O-CB 3.08Å; V431-M435 WeakPolarHBondContact O-CG 3.48Å; V431-M435 PolarHBondContact O-N 3.19Å; H432-M435 WeakPolarHBondContact O-CB 3.28Å; H432-M435 PolarHBondContact O-N 3.47Å; D433-M435 VanDerWaalsContact C-N 3.32Å; D433-M435 PolarHBondContact O-N 2.85Å; M435-D437 PolarHBondContact O-N 3.17Å; M435-I438 PolarHBondContact O-N 3.02Å; M435-I438 VanDerWaalsContact O-N 3.09Å; M435-I438 HydrophobicContact SD-CD1 4.48Å; M435-L439 HydrophobicContact CB-CD1 4.19Å; M435-L439 HydrophobicContact CE-CD1 3.94Å; M435-L439 WeakPolarHBondContact O-CD1 3.48Å; M435-L439 PolarHBondContact O-N 3.29Å; M435-I447 HydrophobicContact CE-CG2 3.82Å; M435-M484 HydrophobicContact CE-CE 3.9Å; M435-M484 HydrophobicContact CG-CE 3.56Å; M435-M484 HydrophobicContact CG-SD 4.34Å; M435-M484 HydrophobicContact SD-CE 3.38Å; M435-M484 WeakPolarHBondContact SD-CE 3.48Å; M435-T487 HydrophobicContact CB-CG2 3.7Å; M435-T487 WeakPolarHBondContact CE-OG1 3.48Å; M435-T487 HydrophobicContact CG-CG2 4.22Å |
| 436 | Q | 92.1 | Very high | 91.7 | Very high | 59 Ų | 59 | 38.8 Ų | 38.8 | 28% | 0.276 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -56.6 | -37.9 | 179.3 | -68.8 | -60.2 | -23.2 | 0 | 0 | 113.2 | H432 D433 L434 G440 R491 | H432-Q436 PolarHBondContact NE2-NE2 3.37Å; H432-Q436 VanDerWaalsContact NE2-NE2 3.16Å; H432-Q436 WeakPolarHBondContact O-CG 3.38Å; H432-Q436 PolarHBondContact O-N 2.98Å; H432-Q436 VanDerWaalsContact O-N 3.1Å; D433-Q436 WeakPolarHBondContact O-CB 3.49Å; D433-Q436 PolarHBondContact O-N 2.83Å; L434-Q436 VanDerWaalsContact C-N 3.3Å; L434-Q436 PolarHBondContact O-N 3Å; Q436-G440 PolarHBondContact O-N 3.01Å; Q436-R491 PolarHBondContact O-NH2 3.05Å |
| 437 | D | 90.4 | Very high | 91.8 | Very high | 50 Ų | 50 | 35 Ų | 35 | 27% | 0.267 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -71 | -45.8 | 174.5 | -72.6 | -20.3 | 0 | 0 | 0 | 111.6 | H353 A356 I360 L434 M435 L439 G440 L441 | H353-D437 IonicContact CE1-OD2 3.43Å; H353-D437 IonicContact CG-OD2 3.29Å; H353-D437 IonicContact ND1-OD2 3.71Å; H353-D437 PolarHBondContact ND1-OD2 3.41Å; A356-D437 HydrophobicContact CB-CB 4.05Å; I360-D437 WeakPolarHBondContact CD1-O 3.35Å; L434-D437 PolarHBondContact O-N 2.88Å; M435-D437 PolarHBondContact O-N 3.17Å; D437-L439 PolarHBondContact O-N 3.3Å; D437-G440 PolarHBondContact O-N 3.46Å; D437-L441 PolarHBondContact O-N 2.66Å |
| 438 | I | 93.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.2 | -37.9 | 177.2 | -61.9 | 176.6 | 0 | 0 | 0 | 111 | F400 V403 V404 L434 M435 G440 L441 V442 I447 | F400-I438 HydrophobicContact CB-CG2 4.24Å; F400-I438 HydrophobicContact CD1-CD1 4.08Å; F400-I438 HydrophobicContact CD1-CG1 3.76Å; F400-I438 HydrophobicContact CD1-CG2 4.37Å; F400-I438 HydrophobicContact CE1-CG1 4.2Å; V403-I438 HydrophobicContact CG1-CD1 3.98Å; V404-I438 HydrophobicContact CG2-CD1 4.35Å; V404-I438 HydrophobicContact CG2-CG2 3.8Å; L434-I438 HydrophobicContact CD1-CD1 4.21Å; L434-I438 HydrophobicContact CD1-CG1 4.31Å; L434-I438 HydrophobicContact CD2-CD1 4.49Å; L434-I438 HydrophobicContact CG-CD1 3.93Å; L434-I438 HydrophobicContact CG-CG1 4.43Å; L434-I438 WeakPolarHBondContact O-CG1 3.33Å; L434-I438 PolarHBondContact O-N 3.47Å; L434-I438 VanDerWaalsContact O-N 3.1Å; M435-I438 PolarHBondContact O-N 3.02Å; M435-I438 VanDerWaalsContact O-N 3.09Å; M435-I438 HydrophobicContact SD-CD1 4.48Å; I438-G440 VanDerWaalsContact C-N 3.28Å; I438-G440 PolarHBondContact O-N 3.34Å; I438-L441 PolarHBondContact O-N 3.06Å; I438-L441 VanDerWaalsContact O-N 3.11Å; I438-V442 HydrophobicContact CG2-CB 4.47Å; I438-V442 HydrophobicContact CG2-CG2 3.87Å; I438-V442 PolarHBondContact O-N 3.16Å; I438-I447 HydrophobicContact CG2-CD1 3.99Å |
| 439 | L | 91.4 | Very high | 91.8 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.5 | -36.8 | 175.1 | -93.2 | 75.4 | 0 | 0 | 0 | 112.4 | M435 D437 L441 G443 I447 T487 V488 R491 | M435-L439 HydrophobicContact CB-CD1 4.19Å; M435-L439 HydrophobicContact CE-CD1 3.94Å; M435-L439 WeakPolarHBondContact O-CD1 3.48Å; M435-L439 PolarHBondContact O-N 3.29Å; D437-L439 PolarHBondContact O-N 3.3Å; L439-L441 VanDerWaalsContact C-N 3.32Å; L439-G443 VanDerWaalsContact O-CA 3.27Å; L439-G443 WeakPolarHBondContact O-CA 3.27Å; L439-G443 PolarHBondContact O-N 3.1Å; L439-G443 VanDerWaalsContact O-N 3.08Å; L439-I447 HydrophobicContact CB-CD1 4.38Å; L439-I447 HydrophobicContact CD1-CD1 3.63Å; L439-I447 HydrophobicContact CG-CD1 3.85Å; L439-T487 VanDerWaalsContact CD2-O 3.3Å; L439-T487 WeakPolarHBondContact CD2-O 3.42Å; L439-V488 HydrophobicContact CD1-CG1 3.6Å; L439-V488 HydrophobicContact CD2-CB 4.21Å; L439-V488 HydrophobicContact CD2-CG1 3.63Å; L439-V488 HydrophobicContact CG-CG1 3.75Å; L439-R491 HydrophobicContact CD2-CG 4.48Å |
| 440 | G | 88.3 | Confident | 91.7 | Very high | 29 Ų | 29 | 35 Ų | 35 | 30% | 0.299 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -66.5 | -33.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | Q436 D437 I438 | Q436-G440 PolarHBondContact O-N 3.01Å; D437-G440 PolarHBondContact O-N 3.46Å; I438-G440 VanDerWaalsContact C-N 3.28Å; I438-G440 PolarHBondContact O-N 3.34Å |
| 441 | L | 89.5 | Confident | 91.7 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -82.2 | -57.7 | -179.1 | 176.5 | 58.4 | 0 | 0 | 0 | 112.8 | A356 A359 I360 R363 V393 F400 D437 I438 L439 | A356-L441 HydrophobicContact CB-CD2 4.44Å; A359-L441 HydrophobicContact CB-CD1 3.81Å; A359-L441 HydrophobicContact CB-CD2 4.32Å; I360-L441 HydrophobicContact CD1-CB 4.35Å; I360-L441 HydrophobicContact CG1-CB 4.1Å; R363-L441 PolarHBondContact NH1-O 2.76Å; V393-L441 HydrophobicContact CG1-CD1 3.34Å; F400-L441 HydrophobicContact CB-CD2 4.42Å; F400-L441 HydrophobicContact CD1-CD2 4.38Å; F400-L441 HydrophobicContact CD2-CD2 3.31Å; F400-L441 HydrophobicContact CE1-CD2 4.49Å; F400-L441 HydrophobicContact CE2-CD2 3.47Å; F400-L441 VanDerWaalsContact CE2-CD2 3.47Å; F400-L441 HydrophobicContact CG-CD2 3.79Å; F400-L441 HydrophobicContact CZ-CD2 4.07Å; D437-L441 PolarHBondContact O-N 2.66Å; I438-L441 PolarHBondContact O-N 3.06Å; I438-L441 VanDerWaalsContact O-N 3.11Å; L439-L441 VanDerWaalsContact C-N 3.32Å |
| 442 | V | 91.8 | Very high | 91.5 | Very high | 18 Ų | 18 | 32.5 Ų | 32.5 | 11% | 0.109 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -81.2 | -41.3 | -172.8 | 177.1 | 0 | 0 | 0 | 0 | 111.5 | I397 F400 I438 A446 I447 | I397-V442 HydrophobicContact CG2-CG1 4.2Å; I397-V442 HydrophobicContact CG2-CG2 4.39Å; F400-V442 HydrophobicContact CB-CG2 3.78Å; I438-V442 HydrophobicContact CG2-CB 4.47Å; I438-V442 HydrophobicContact CG2-CG2 3.87Å; I438-V442 PolarHBondContact O-N 3.16Å; V442-A446 HydrophobicContact CG1-CB 4Å; V442-I447 HydrophobicContact CB-CD1 4.14Å; V442-I447 HydrophobicContact CB-CG1 4.1Å; V442-I447 HydrophobicContact CG1-CD1 4.39Å; V442-I447 HydrophobicContact CG1-CG1 3.8Å |
| 443 | G | 89.3 | Confident | 91.4 | Very high | 25 Ų | 25 | 33.3 Ų | 33.3 | 26% | 0.258 | 19% | 0.192 | S | C | . | . | trans | 102 | 141.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L439 E445 A446 I447 | L439-G443 VanDerWaalsContact O-CA 3.27Å; L439-G443 WeakPolarHBondContact O-CA 3.27Å; L439-G443 PolarHBondContact O-N 3.1Å; L439-G443 VanDerWaalsContact O-N 3.08Å; G443-E445 PolarHBondContact O-N 3.42Å; G443-A446 PolarHBondContact O-N 3.29Å; G443-I447 WeakPolarHBondContact O-CG1 3.35Å; G443-I447 PolarHBondContact O-N 2.92Å | ||
| 444 | A | 90.2 | Very high | 91.3 | Very high | 14 Ų | 14 | 32.3 Ų | 32.3 | 12% | 0.116 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.2 | -38.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | F448 R491 L492 | A444-F448 VanDerWaalsContact O-CB 3.24Å; A444-F448 WeakPolarHBondContact O-CB 3.29Å; A444-F448 PolarHBondContact O-N 3.23Å; A444-R491 HydrophobicContact CB-CB 3.9Å; A444-L492 HydrophobicContact CB-CD2 4.12Å; A444-L492 HydrophobicContact CB-CG 4.49Å |
| 445 | E | 88.5 | Confident | 91.1 | Very high | 117 Ų | 117 | 32.5 Ų | 32.5 | 55% | 0.547 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -65.7 | -44.6 | -179 | -174.4 | 174.3 | -171.7 | 0 | 0 | 112 | G443 F448 V449 L492 | G443-E445 PolarHBondContact O-N 3.42Å; E445-F448 PolarHBondContact O-N 3.42Å; E445-V449 VanDerWaalsContact O-CG2 3.31Å; E445-V449 WeakPolarHBondContact O-CG2 3.28Å; E445-V449 PolarHBondContact O-N 3.3Å; E445-L492 HydrophobicContact CB-CD2 4.33Å |
| 446 | A | 90.1 | Very high | 90.8 | Very high | 52 Ų | 52 | 36.1 Ų | 36.1 | 43% | 0.43 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.3 | -44.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V442 G443 V449 E450 | V442-A446 HydrophobicContact CG1-CB 4Å; G443-A446 PolarHBondContact O-N 3.29Å; A446-V449 PolarHBondContact O-N 3.11Å; A446-E450 WeakPolarHBondContact O-CB 3.28Å; A446-E450 PolarHBondContact O-N 3.34Å |
| 447 | I | 93.1 | Very high | 90.8 | Very high | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.015 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63 | -44.9 | 176.5 | -66.7 | 173.3 | 0 | 0 | 0 | 110.7 | V404 M435 I438 L439 V442 G443 E450 L451 V488 | V404-I447 HydrophobicContact CG1-CG2 4.19Å; M435-I447 HydrophobicContact CE-CG2 3.82Å; I438-I447 HydrophobicContact CG2-CD1 3.99Å; L439-I447 HydrophobicContact CB-CD1 4.38Å; L439-I447 HydrophobicContact CD1-CD1 3.63Å; L439-I447 HydrophobicContact CG-CD1 3.85Å; V442-I447 HydrophobicContact CB-CD1 4.14Å; V442-I447 HydrophobicContact CB-CG1 4.1Å; V442-I447 HydrophobicContact CG1-CD1 4.39Å; V442-I447 HydrophobicContact CG1-CG1 3.8Å; G443-I447 WeakPolarHBondContact O-CG1 3.35Å; G443-I447 PolarHBondContact O-N 2.92Å; I447-E450 PolarHBondContact O-N 2.88Å; I447-L451 HydrophobicContact CG2-CD1 3.91Å; I447-L451 HydrophobicContact CG2-CG 4.39Å; I447-L451 WeakPolarHBondContact O-CG 3.49Å; I447-L451 PolarHBondContact O-N 3.45Å; I447-V488 HydrophobicContact CB-CG1 4.14Å; I447-V488 HydrophobicContact CG2-CG1 3.65Å |
| 448 | F | 92.2 | Very high | 90.6 | Very high | 14 Ų | 14 | 37.9 Ų | 37.9 | 6% | 0.061 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.8 | -45.2 | 179.6 | 175.6 | -86.4 | 0 | 0 | 0 | 112.2 | A444 E445 E450 L451 Y452 L485 V488 L492 H500 I501 | A444-F448 VanDerWaalsContact O-CB 3.24Å; A444-F448 WeakPolarHBondContact O-CB 3.29Å; A444-F448 PolarHBondContact O-N 3.23Å; E445-F448 PolarHBondContact O-N 3.42Å; F448-E450 VanDerWaalsContact C-N 3.3Å; F448-E450 PolarHBondContact O-N 2.93Å; F448-L451 PolarHBondContact O-N 3.36Å; F448-Y452 WeakPolarHBondContact O-CB 3.4Å; F448-Y452 PolarHBondContact O-N 2.91Å; F448-L485 HydrophobicContact CD2-CD2 3.37Å; F448-L485 HydrophobicContact CE2-CD2 3.78Å; F448-L485 HydrophobicContact CG-CD2 4.19Å; F448-V488 HydrophobicContact CB-CG2 4.14Å; F448-V488 HydrophobicContact CD2-CG2 4.07Å; F448-L492 HydrophobicContact CB-CD1 3.49Å; F448-L492 VanDerWaalsContact CB-CD1 3.49Å; F448-L492 HydrophobicContact CD1-CD1 3.97Å; F448-L492 HydrophobicContact CD2-CD1 3.26Å; F448-L492 HydrophobicContact CE2-CD1 3.98Å; F448-L492 HydrophobicContact CG-CD1 3.28Å; F448-H500 HydrophobicContact CE1-CB 3.56Å; F448-H500 HydrophobicContact CZ-CB 4.04Å; F448-I501 HydrophobicContact CE2-CG1 4.14Å; F448-I501 HydrophobicContact CZ-CG1 3.8Å |
| 449 | V | 90.6 | Very high | 90.3 | Very high | 48 Ų | 48 | 41.9 Ų | 41.9 | 29% | 0.291 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.9 | -41.7 | 177 | 169.6 | 0 | 0 | 0 | 0 | 110.6 | E445 A446 Y452 N453 | E445-V449 VanDerWaalsContact O-CG2 3.31Å; E445-V449 WeakPolarHBondContact O-CG2 3.28Å; E445-V449 PolarHBondContact O-N 3.3Å; A446-V449 PolarHBondContact O-N 3.11Å; V449-Y452 PolarHBondContact O-N 3.34Å; V449-N453 WeakPolarHBondContact O-CB 3.26Å; V449-N453 PolarHBondContact O-N 3.37Å; V449-N453 PolarHBondContact O-ND2 3.5Å; V449-N453 VanDerWaalsContact O-ND2 3.16Å |
| 450 | E | 91.6 | Very high | 90.1 | Very high | 75 Ų | 75 | 47.9 Ų | 47.9 | 35% | 0.35 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -62.1 | -49.5 | 177.2 | -168.1 | 63.3 | -154.8 | 0 | 0 | 111.9 | T401 V405 A446 I447 F448 Y452 N453 Y454 | T401-E450 HydrophobicContact CG2-CB 4.4Å; T401-E450 HydrophobicContact CG2-CG 3.81Å; V405-E450 HydrophobicContact CG2-CG 3.93Å; A446-E450 WeakPolarHBondContact O-CB 3.28Å; A446-E450 PolarHBondContact O-N 3.34Å; I447-E450 PolarHBondContact O-N 2.88Å; F448-E450 VanDerWaalsContact C-N 3.3Å; F448-E450 PolarHBondContact O-N 2.93Å; E450-Y452 VanDerWaalsContact C-N 3.35Å; E450-Y452 PolarHBondContact O-N 3.09Å; E450-N453 PolarHBondContact O-N 3.2Å; E450-Y454 WeakPolarHBondContact O-CB 3.45Å; E450-Y454 PolarHBondContact O-N 3.21Å |
| 451 | L | 92.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.2 | -39.4 | 177.4 | -69.5 | 175.2 | 0 | 0 | 0 | 111.8 | V404 T408 I447 F448 Y454 V455 M484 L485 | V404-L451 HydrophobicContact CG1-CD1 4.47Å; V404-L451 HydrophobicContact CG1-CD2 3.93Å; V404-L451 HydrophobicContact CG1-CG 4.25Å; T408-L451 HydrophobicContact CG2-CD2 3.82Å; I447-L451 HydrophobicContact CG2-CD1 3.91Å; I447-L451 HydrophobicContact CG2-CG 4.39Å; I447-L451 WeakPolarHBondContact O-CG 3.49Å; I447-L451 PolarHBondContact O-N 3.45Å; F448-L451 PolarHBondContact O-N 3.36Å; L451-Y454 WeakPolarHBondContact O-CB 3.37Å; L451-Y454 PolarHBondContact O-N 3.27Å; L451-V455 WeakPolarHBondContact O-CG2 3.46Å; L451-V455 PolarHBondContact O-N 2.87Å; L451-M484 HydrophobicContact CD1-CB 3.89Å; L451-M484 HydrophobicContact CD2-CB 4.25Å; L451-L485 HydrophobicContact CB-CD2 3.83Å; L451-L485 HydrophobicContact CB-CG 4.08Å; L451-L485 HydrophobicContact CD1-CD2 3.94Å; L451-L485 HydrophobicContact CD1-CG 4.05Å |
| 452 | Y | 91.3 | Very high | 89.8 | Confident | 25 Ų | 25 | 51.4 Ų | 51.4 | 10% | 0.098 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.3 | -44.5 | 176.8 | 178.8 | -106.4 | 0 | 0 | 0 | 111.8 | F448 V449 E450 Y454 V455 Q456 H500 L504 | F448-Y452 WeakPolarHBondContact O-CB 3.4Å; F448-Y452 PolarHBondContact O-N 2.91Å; V449-Y452 PolarHBondContact O-N 3.34Å; E450-Y452 VanDerWaalsContact C-N 3.35Å; E450-Y452 PolarHBondContact O-N 3.09Å; Y452-Y454 VanDerWaalsContact C-N 3.26Å; Y452-Y454 PolarHBondContact O-N 3.29Å; Y452-V455 WeakPolarHBondContact O-CB 3.19Å; Y452-V455 PolarHBondContact O-N 3.21Å; Y452-Q456 HydrophobicContact CD1-CG 4.48Å; Y452-Q456 HydrophobicContact CE1-CG 4.14Å; Y452-Q456 VanDerWaalsContact CZ-NE2 3.3Å; Y452-Q456 WeakPolarHBondContact O-CG 3.35Å; Y452-Q456 PolarHBondContact O-N 3.21Å; Y452-Q456 PolarHBondContact OH-NE2 3.28Å; Y452-Q456 VanDerWaalsContact OH-NE2 3.16Å; Y452-H500 HydrophobicContact CE1-CB 4.39Å; Y452-H500 AromaticContact CE1-CD2 3.42Å; Y452-H500 VanDerWaalsContact CE1-CD2 3.42Å; Y452-H500 WeakPolarHBondContact CE1-CD2 3.27Å; Y452-H500 AromaticContact CE1-CG 3.97Å; Y452-H500 AromaticContact CE1-NE2 3.84Å; Y452-H500 AromaticContact CZ-CD2 3.89Å; Y452-L504 HydrophobicContact CE2-CB 4.37Å |
| 453 | N | 91.1 | Very high | 89.2 | Confident | 70 Ų | 70 | 55.3 Ų | 55.3 | 37% | 0.374 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.6 | -37 | 174 | -71.6 | -24.6 | 0 | 0 | 0 | 111.5 | V449 E450 Q456 K457 | V449-N453 WeakPolarHBondContact O-CB 3.26Å; V449-N453 PolarHBondContact O-N 3.37Å; V449-N453 PolarHBondContact O-ND2 3.5Å; V449-N453 VanDerWaalsContact O-ND2 3.16Å; E450-N453 PolarHBondContact O-N 3.2Å; N453-Q456 PolarHBondContact O-N 3.05Å; N453-K457 WeakPolarHBondContact O-CB 3.25Å; N453-K457 PolarHBondContact O-N 3.29Å |
| 454 | Y | 89.9 | Confident | 89 | Confident | 74 Ų | 74 | 58.4 Ų | 58.4 | 29% | 0.29 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66 | -42.2 | 175.1 | -168.9 | -103.1 | 0 | 0 | 0 | 111.9 | E450 L451 Y452 Q456 K457 L458 C481 | E450-Y454 WeakPolarHBondContact O-CB 3.45Å; E450-Y454 PolarHBondContact O-N 3.21Å; L451-Y454 WeakPolarHBondContact O-CB 3.37Å; L451-Y454 PolarHBondContact O-N 3.27Å; Y452-Y454 VanDerWaalsContact C-N 3.26Å; Y452-Y454 PolarHBondContact O-N 3.29Å; Y454-Q456 PolarHBondContact O-N 3.15Å; Y454-K457 WeakPolarHBondContact O-CB 3.37Å; Y454-K457 PolarHBondContact O-N 3.4Å; Y454-K457 VanDerWaalsContact O-N 3.15Å; Y454-L458 HydrophobicContact CD1-CD1 3.98Å; Y454-L458 HydrophobicContact CD1-CG 4.4Å; Y454-L458 HydrophobicContact CE1-CD1 3.78Å; Y454-L458 HydrophobicContact CE1-CG 4.22Å; Y454-L458 WeakPolarHBondContact O-CG 3.48Å; Y454-L458 PolarHBondContact O-N 3.05Å; Y454-C481 WeakPolarHBondContact CD1-SG 3.25Å; Y454-C481 WeakPolarHBondContact CE1-SG 3.36Å |
| 455 | V | 90.4 | Very high | 88.5 | Confident | 4 Ų | 4 | 65.9 Ų | 65.9 | 2% | 0.024 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59.4 | -43.8 | 171.2 | 172 | 0 | 0 | 0 | 0 | 111.5 | L451 Y452 K457 L458 Q459 C481 L504 L508 | L451-V455 WeakPolarHBondContact O-CG2 3.46Å; L451-V455 PolarHBondContact O-N 2.87Å; Y452-V455 WeakPolarHBondContact O-CB 3.19Å; Y452-V455 PolarHBondContact O-N 3.21Å; V455-K457 VanDerWaalsContact C-N 3.3Å; V455-K457 PolarHBondContact O-N 2.93Å; V455-L458 PolarHBondContact O-N 3.44Å; V455-Q459 PolarHBondContact O-N 3.1Å; V455-C481 HydrophobicContact CG2-CB 3.83Å; V455-L504 HydrophobicContact CG1-CD1 4.39Å; V455-L508 HydrophobicContact CG1-CD2 3.65Å |
| 456 | Q | 89.8 | Confident | 88.2 | Confident | 77 Ų | 77 | 63.5 Ų | 63.5 | 36% | 0.36 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61 | -39.4 | 175 | -70.9 | -174 | -15.6 | 0 | 0 | 112.1 | Y452 N453 Y454 Q459 M460 | Y452-Q456 HydrophobicContact CD1-CG 4.48Å; Y452-Q456 HydrophobicContact CE1-CG 4.14Å; Y452-Q456 VanDerWaalsContact CZ-NE2 3.3Å; Y452-Q456 WeakPolarHBondContact O-CG 3.35Å; Y452-Q456 PolarHBondContact O-N 3.21Å; Y452-Q456 PolarHBondContact OH-NE2 3.28Å; Y452-Q456 VanDerWaalsContact OH-NE2 3.16Å; N453-Q456 PolarHBondContact O-N 3.05Å; Y454-Q456 PolarHBondContact O-N 3.15Å; Q456-Q459 WeakPolarHBondContact O-CB 3.4Å; Q456-Q459 PolarHBondContact O-N 3.34Å; Q456-M460 WeakPolarHBondContact O-CG 3.43Å; Q456-M460 PolarHBondContact O-N 2.91Å |
| 457 | K | 90.2 | Very high | 87.5 | Confident | 117 Ų | 117 | 65.4 Ų | 65.4 | 51% | 0.509 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 176.3 | -172.2 | -178.4 | 178.5 | -176.5 | 0 | 111.7 | N453 Y454 V455 Q459 M460 L461 | N453-K457 WeakPolarHBondContact O-CB 3.25Å; N453-K457 PolarHBondContact O-N 3.29Å; Y454-K457 WeakPolarHBondContact O-CB 3.37Å; Y454-K457 PolarHBondContact O-N 3.4Å; Y454-K457 VanDerWaalsContact O-N 3.15Å; V455-K457 VanDerWaalsContact C-N 3.3Å; V455-K457 PolarHBondContact O-N 2.93Å; K457-Q459 VanDerWaalsContact C-N 3.31Å; K457-Q459 PolarHBondContact O-N 2.6Å; K457-M460 PolarHBondContact O-N 3.39Å; K457-L461 WeakPolarHBondContact O-CG 3.06Å; K457-L461 PolarHBondContact O-N 2.83Å |
| 458 | L | 87.3 | Confident | 86.6 | Confident | 29 Ų | 29 | 73.4 Ų | 73.4 | 15% | 0.152 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62 | -40 | 174 | -68 | 173.8 | 0 | 0 | 0 | 111.5 | Y454 V455 M460 L461 A462 E477 | Y454-L458 HydrophobicContact CD1-CD1 3.98Å; Y454-L458 HydrophobicContact CD1-CG 4.4Å; Y454-L458 HydrophobicContact CE1-CD1 3.78Å; Y454-L458 HydrophobicContact CE1-CG 4.22Å; Y454-L458 WeakPolarHBondContact O-CG 3.48Å; Y454-L458 PolarHBondContact O-N 3.05Å; V455-L458 PolarHBondContact O-N 3.44Å; L458-M460 PolarHBondContact O-N 2.75Å; L458-L461 HydrophobicContact CD2-CD1 4.48Å; L458-L461 PolarHBondContact O-N 3.29Å; L458-A462 WeakPolarHBondContact O-CB 3.4Å; L458-A462 PolarHBondContact O-N 3.1Å; L458-E477 WeakPolarHBondContact CD1-O 3.22Å |
| 459 | Q | 87.2 | Confident | 85.9 | Confident | 83 Ų | 83 | 73.9 Ų | 73.9 | 39% | 0.388 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.8 | -45.7 | 173.5 | -176.4 | 176.4 | 10.5 | 0 | 0 | 111.9 | V455 Q456 K457 L461 A462 M463 V474 | V455-Q459 PolarHBondContact O-N 3.1Å; Q456-Q459 WeakPolarHBondContact O-CB 3.4Å; Q456-Q459 PolarHBondContact O-N 3.34Å; K457-Q459 VanDerWaalsContact C-N 3.31Å; K457-Q459 PolarHBondContact O-N 2.6Å; Q459-L461 VanDerWaalsContact C-N 3.32Å; Q459-L461 PolarHBondContact O-N 2.98Å; Q459-A462 PolarHBondContact O-N 3.36Å; Q459-M463 HydrophobicContact CG-SD 4.13Å; Q459-M463 WeakPolarHBondContact O-CB 3.32Å; Q459-M463 VanDerWaalsContact O-CG 3.24Å; Q459-M463 WeakPolarHBondContact O-CG 3.35Å; Q459-M463 PolarHBondContact O-N 3.05Å; Q459-V474 HydrophobicContact CB-CG1 3.73Å; Q459-V474 HydrophobicContact CB-CG2 4.5Å; Q459-V474 HydrophobicContact CG-CG1 4.04Å; Q459-V474 HydrophobicContact CG-CG2 4.14Å |
| 460 | M | 87.2 | Confident | 85.5 | Confident | 130 Ų | 130 | 74 Ų | 74 | 64% | 0.64 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -62 | -40.3 | 176.2 | -66 | -165.7 | -42.6 | 0 | 0 | 112.2 | Q456 K457 L458 M463 S464 | Q456-M460 WeakPolarHBondContact O-CG 3.43Å; Q456-M460 PolarHBondContact O-N 2.91Å; K457-M460 PolarHBondContact O-N 3.39Å; L458-M460 PolarHBondContact O-N 2.75Å; M460-M463 PolarHBondContact O-N 3.31Å; M460-S464 WeakPolarHBondContact O-CB 3.38Å; M460-S464 PolarHBondContact O-N 3.39Å |
| 461 | L | 87.2 | Confident | 85.1 | Confident | 89 Ų | 89 | 71.8 Ų | 71.8 | 47% | 0.466 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.8 | -49.3 | 177.5 | -72.7 | 169.7 | 0 | 0 | 0 | 111.1 | K457 L458 Q459 M463 S464 E465 | K457-L461 WeakPolarHBondContact O-CG 3.06Å; K457-L461 PolarHBondContact O-N 2.83Å; L458-L461 HydrophobicContact CD2-CD1 4.48Å; L458-L461 PolarHBondContact O-N 3.29Å; Q459-L461 VanDerWaalsContact C-N 3.32Å; Q459-L461 PolarHBondContact O-N 2.98Å; L461-M463 VanDerWaalsContact C-N 3.3Å; L461-M463 PolarHBondContact O-N 3.44Å; L461-S464 WeakPolarHBondContact O-CB 3.49Å; L461-S464 PolarHBondContact O-N 2.96Å; L461-S464 PolarHBondContact O-OG 3.49Å; L461-E465 PolarHBondContact O-N 3.06Å; L461-E465 VanDerWaalsContact O-N 3.08Å |
| 462 | A | 83.3 | Confident | 84.8 | Confident | 14 Ų | 14 | 75.3 Ų | 75.3 | 12% | 0.116 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -58.7 | -41.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L458 Q459 S464 E465 N466 A469 V474 | L458-A462 WeakPolarHBondContact O-CB 3.4Å; L458-A462 PolarHBondContact O-N 3.1Å; Q459-A462 PolarHBondContact O-N 3.36Å; A462-S464 VanDerWaalsContact C-N 3.31Å; A462-S464 PolarHBondContact O-N 3.37Å; A462-E465 PolarHBondContact O-N 3.44Å; A462-N466 PolarHBondContact O-N 3.03Å; A462-A469 HydrophobicContact CB-CB 4.22Å; A462-V474 HydrophobicContact CB-CG2 4.09Å |
| 463 | M | 80.9 | Confident | 84.5 | Confident | 100 Ų | 100 | 76.9 Ų | 76.9 | 49% | 0.493 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -68.8 | -27.7 | 176.1 | -71.1 | -178.7 | 75.2 | 0 | 0 | 113.4 | Q459 M460 L461 N466 A467 A469 | Q459-M463 HydrophobicContact CG-SD 4.13Å; Q459-M463 WeakPolarHBondContact O-CB 3.32Å; Q459-M463 VanDerWaalsContact O-CG 3.24Å; Q459-M463 WeakPolarHBondContact O-CG 3.35Å; Q459-M463 PolarHBondContact O-N 3.05Å; M460-M463 PolarHBondContact O-N 3.31Å; L461-M463 VanDerWaalsContact C-N 3.3Å; L461-M463 PolarHBondContact O-N 3.44Å; M463-N466 WeakPolarHBondContact CA-O 3.4Å; M463-N466 CarbonylContact O-C 3.37Å; M463-A467 PolarHBondContact O-N 3.02Å; M463-A469 HydrophobicContact CG-CB 4.37Å |
| 464 | S | 83.5 | Confident | 84.3 | Confident | 91 Ų | 91 | 73.8 Ų | 73.8 | 64% | 0.636 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -74.4 | -33.5 | 175.7 | 77.2 | 0 | 0 | 0 | 0 | 112.5 | M460 L461 A462 | M460-S464 WeakPolarHBondContact O-CB 3.38Å; M460-S464 PolarHBondContact O-N 3.39Å; L461-S464 WeakPolarHBondContact O-CB 3.49Å; L461-S464 PolarHBondContact O-N 2.96Å; L461-S464 PolarHBondContact O-OG 3.49Å; A462-S464 VanDerWaalsContact C-N 3.31Å; A462-S464 PolarHBondContact O-N 3.37Å |
| 465 | E | 80.5 | Confident | 84.1 | Confident | 171 Ų | 171 | 70.3 Ų | 70.3 | 80% | 0.799 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -78.7 | -38.3 | 175.1 | -67.8 | -176.6 | 170.4 | 0 | 0 | 111.9 | L461 A462 | L461-E465 PolarHBondContact O-N 3.06Å; L461-E465 VanDerWaalsContact O-N 3.08Å; A462-E465 PolarHBondContact O-N 3.44Å |
| 466 | N | 81.5 | Confident | 83.9 | Confident | 66 Ų | 66 | 76 Ų | 76 | 35% | 0.353 | 40% | 0.397 | S | S | . | . | trans | -139.4 | 107.6 | 179.1 | -175.8 | 7 | 0 | 0 | 0 | 110.6 | A462 M463 Q468 A469 | A462-N466 PolarHBondContact O-N 3.03Å; M463-N466 WeakPolarHBondContact CA-O 3.4Å; M463-N466 CarbonylContact O-C 3.37Å; N466-Q468 PolarHBondContact O-N 3.08Å; N466-Q468 PolarHBondContact OD1-N 3.16Å; N466-Q468 VanDerWaalsContact OD1-N 3.15Å; N466-A469 HydrophobicContact CB-CB 4.47Å; N466-A469 VanDerWaalsContact O-CB 3.28Å; N466-A469 WeakPolarHBondContact O-CB 3.33Å; N466-A469 PolarHBondContact O-N 3.38Å | ||
| 467 | A | 75.2 | Confident | 83.7 | Confident | 92 Ų | 92 | 77.1 Ų | 77.1 | 76% | 0.76 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -14.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114 | M463 | M463-A467 PolarHBondContact O-N 3.02Š|
| 468 | Q | 75.9 | Confident | 83.7 | Confident | 172 Ų | 172 | 71.5 Ų | 71.5 | 80% | 0.804 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.2 | 21.8 | 174.6 | -64.3 | -175.6 | -24.2 | 0 | 0 | 112.7 | N466 S470 | N466-Q468 PolarHBondContact O-N 3.08Å; N466-Q468 PolarHBondContact OD1-N 3.16Å; N466-Q468 VanDerWaalsContact OD1-N 3.15Å; Q468-S470 PolarHBondContact O-N 3.24Å |
| 469 | A | 76.1 | Confident | 83.9 | Confident | 24 Ų | 24 | 70.7 Ų | 70.7 | 20% | 0.198 | 37% | 0.373 | C | S | . | . | trans | -50 | 117.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | A462 M463 N466 E473 | A462-A469 HydrophobicContact CB-CB 4.22Å; M463-A469 HydrophobicContact CG-CB 4.37Å; N466-A469 HydrophobicContact CB-CB 4.47Å; N466-A469 VanDerWaalsContact O-CB 3.28Å; N466-A469 WeakPolarHBondContact O-CB 3.33Å; N466-A469 PolarHBondContact O-N 3.38Å; A469-E473 VanDerWaalsContact CA-OE2 3.24Å; A469-E473 WeakPolarHBondContact CA-OE2 3.49Å | ||
| 470 | S | 83.3 | Confident | 84 | Confident | 49 Ų | 49 | 67.1 Ų | 67.1 | 34% | 0.343 | 36% | 0.357 | S | S | . | . | trans | -71.1 | 154.9 | 178.9 | 62.3 | 0 | 0 | 0 | 0 | 110.3 | Q468 Y472 E473 V474 | Q468-S470 PolarHBondContact O-N 3.24Å; S470-Y472 PolarHBondContact O-N 3.44Å; S470-Y472 VanDerWaalsContact O-N 3.11Å; S470-E473 PolarHBondContact N-OE2 3.49Å; S470-E473 PolarHBondContact O-N 3.47Å; S470-E473 WeakPolarHBondContact OG-CG 3.36Å; S470-E473 PolarHBondContact OG-N 2.88Å; S470-E473 PolarHBondContact OG-OE2 3.24Å; S470-E473 VanDerWaalsContact OG-OE2 3.09Å; S470-V474 PolarHBondContact O-N 3.32Å | ||
| 471 | A | 83.5 | Confident | 84.3 | Confident | 30 Ų | 30 | 61 Ų | 61 | 25% | 0.248 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -54 | -32.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L475 L508 P511 | A471-L475 WeakPolarHBondContact O-CB 3.32Å; A471-L475 PolarHBondContact O-N 3.1Å; A471-L508 WeakPolarHBondContact O-CD1 3.4Å; A471-P511 HydrophobicContact CB-CB 3.85Å |
| 472 | Y | 85.3 | Confident | 84.5 | Confident | 74 Ų | 74 | 57 Ų | 57 | 29% | 0.29 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.7 | -47.1 | 174.4 | 167.1 | -108.9 | 0 | 0 | 0 | 113.5 | S470 V474 L475 R476 P518 L521 | S470-Y472 PolarHBondContact O-N 3.44Å; S470-Y472 VanDerWaalsContact O-N 3.11Å; Y472-V474 VanDerWaalsContact C-N 3.34Å; Y472-V474 PolarHBondContact O-N 3.21Å; Y472-L475 WeakPolarHBondContact O-CB 3.3Å; Y472-L475 PolarHBondContact O-N 3.13Å; Y472-R476 PolarHBondContact O-N 3.31Å; Y472-P518 VanDerWaalsContact CE2-CD 3.43Å; Y472-P518 HydrophobicContact CE2-CG 4.21Å; Y472-P518 WeakPolarHBondContact OH-CD 3.38Å; Y472-P518 WeakPolarHBondContact OH-CG 3.17Å; Y472-L521 HydrophobicContact CD2-CD2 4.32Å; Y472-L521 HydrophobicContact CE2-CD2 4.13Å |
| 473 | E | 84.5 | Confident | 85 | Confident | 58 Ų | 58 | 56.7 Ų | 56.7 | 27% | 0.271 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.8 | -43.8 | 179.6 | -74.5 | 161.4 | 140.8 | 0 | 0 | 110.9 | A469 S470 L475 R476 E477 | A469-E473 VanDerWaalsContact CA-OE2 3.24Å; A469-E473 WeakPolarHBondContact CA-OE2 3.49Å; S470-E473 PolarHBondContact N-OE2 3.49Å; S470-E473 PolarHBondContact O-N 3.47Å; S470-E473 WeakPolarHBondContact OG-CG 3.36Å; S470-E473 PolarHBondContact OG-N 2.88Å; S470-E473 PolarHBondContact OG-OE2 3.24Å; S470-E473 VanDerWaalsContact OG-OE2 3.09Å; E473-L475 VanDerWaalsContact C-N 3.33Å; E473-L475 PolarHBondContact O-N 3.07Å; E473-R476 PolarHBondContact O-N 3.44Å; E473-E477 WeakPolarHBondContact O-CG 3.27Å; E473-E477 PolarHBondContact O-N 3.33Å; E473-E477 VanDerWaalsContact O-N 3.13Å |
| 474 | V | 86.8 | Confident | 85.6 | Confident | 5 Ų | 5 | 52 Ų | 52 | 3% | 0.03 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 175.7 | -178.2 | 0 | 0 | 0 | 0 | 111.1 | Q459 A462 S470 Y472 R476 E477 S478 L508 | Q459-V474 HydrophobicContact CB-CG1 3.73Å; Q459-V474 HydrophobicContact CB-CG2 4.5Å; Q459-V474 HydrophobicContact CG-CG1 4.04Å; Q459-V474 HydrophobicContact CG-CG2 4.14Å; A462-V474 HydrophobicContact CB-CG2 4.09Å; S470-V474 PolarHBondContact O-N 3.32Å; Y472-V474 VanDerWaalsContact C-N 3.34Å; Y472-V474 PolarHBondContact O-N 3.21Å; V474-R476 VanDerWaalsContact C-N 3.33Å; V474-R476 PolarHBondContact O-N 3.49Å; V474-E477 PolarHBondContact O-N 3.47Å; V474-S478 VanDerWaalsContact O-CB 3.23Å; V474-S478 WeakPolarHBondContact O-CB 3.37Å; V474-S478 PolarHBondContact O-N 3.21Å; V474-S478 PolarHBondContact O-OG 3.31Å; V474-L508 HydrophobicContact CB-CD1 3.7Å; V474-L508 HydrophobicContact CG1-CD1 3.59Å; V474-L508 HydrophobicContact CG1-CD2 4.38Å |
| 475 | L | 87.2 | Confident | 86 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.4 | -41.6 | 178.6 | -165.9 | 78.4 | 0 | 0 | 0 | 111 | A471 Y472 E473 S478 E479 L482 L508 V509 L513 L521 | A471-L475 WeakPolarHBondContact O-CB 3.32Å; A471-L475 PolarHBondContact O-N 3.1Å; Y472-L475 WeakPolarHBondContact O-CB 3.3Å; Y472-L475 PolarHBondContact O-N 3.13Å; E473-L475 VanDerWaalsContact C-N 3.33Å; E473-L475 PolarHBondContact O-N 3.07Å; L475-S478 CarbonylContact O-C 3.39Å; L475-S478 PolarHBondContact O-N 2.79Å; L475-E479 PolarHBondContact O-N 3.49Å; L475-L482 HydrophobicContact CD1-CD1 3.36Å; L475-L482 HydrophobicContact CG-CD1 4.04Å; L475-L508 HydrophobicContact CB-CD1 4.18Å; L475-L508 HydrophobicContact CD1-CD1 4.27Å; L475-L508 HydrophobicContact CD1-CD2 4.29Å; L475-L508 HydrophobicContact CD1-CG 3.76Å; L475-V509 HydrophobicContact CD1-CG2 4.28Å; L475-L513 HydrophobicContact CD2-CD2 3.73Å; L475-L513 HydrophobicContact CD2-CG 4Å; L475-L521 HydrophobicContact CB-CD2 4.17Å; L475-L521 HydrophobicContact CD2-CD1 4.1Å; L475-L521 HydrophobicContact CD2-CD2 3.57Å; L475-L521 HydrophobicContact CD2-CG 3.66Å; L475-L521 HydrophobicContact CG-CD1 3.93Å; L475-L521 HydrophobicContact CG-CD2 3.86Å; L475-L521 HydrophobicContact CG-CG 4.02Å |
| 476 | R | 86.6 | Confident | 86.6 | Confident | 125 Ų | 125 | 39.6 Ų | 39.6 | 47% | 0.472 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -61.9 | -48 | 177.2 | -173.3 | -171.8 | 70.4 | -161.2 | -2.5 | 111.9 | Y472 E473 V474 S478 E479 L521 | Y472-R476 PolarHBondContact O-N 3.31Å; E473-R476 PolarHBondContact O-N 3.44Å; V474-R476 VanDerWaalsContact C-N 3.33Å; V474-R476 PolarHBondContact O-N 3.49Å; R476-S478 PolarHBondContact O-N 2.82Å; R476-E479 WeakPolarHBondContact O-CB 3.35Å; R476-E479 PolarHBondContact O-N 3.34Å; R476-L521 HydrophobicContact CB-CD2 4.5Å |
| 477 | E | 85.6 | Confident | 87 | Confident | 99 Ų | 99 | 36.7 Ų | 36.7 | 46% | 0.463 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -67.5 | -25.6 | 177.7 | -58.8 | -48.6 | 133.2 | 0 | 0 | 112.1 | L458 E473 V474 | L458-E477 WeakPolarHBondContact CD1-O 3.22Å; E473-E477 WeakPolarHBondContact O-CG 3.27Å; E473-E477 PolarHBondContact O-N 3.33Å; E473-E477 VanDerWaalsContact O-N 3.13Å; V474-E477 PolarHBondContact O-N 3.47Å |
| 478 | S | 89 | Confident | 87.8 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 2.2 | -178.9 | -54.7 | 0 | 0 | 0 | 0 | 114.1 | V474 L475 R476 A480 C481 L482 | V474-S478 VanDerWaalsContact O-CB 3.23Å; V474-S478 WeakPolarHBondContact O-CB 3.37Å; V474-S478 PolarHBondContact O-N 3.21Å; V474-S478 PolarHBondContact O-OG 3.31Å; L475-S478 CarbonylContact O-C 3.39Å; L475-S478 PolarHBondContact O-N 2.79Å; R476-S478 PolarHBondContact O-N 2.82Å; S478-A480 PolarHBondContact O-N 2.99Å; S478-C481 WeakPolarHBondContact O-CA 3.48Å; S478-C481 WeakPolarHBondContact O-CB 3.44Å; S478-C481 PolarHBondContact O-N 3.36Å; S478-L482 WeakPolarHBondContact O-CG 3.5Å; S478-L482 PolarHBondContact O-N 3.22Å |
| 479 | E | 90.9 | Very high | 88.4 | Confident | 12 Ų | 12 | 24.2 Ų | 24.2 | 6% | 0.056 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -55.2 | -49.2 | -169.6 | -175.8 | -89.5 | 175.8 | 0 | 0 | 113 | P412 S413 R428 L475 R476 C481 L482 F483 L521 V524 | P412-E479 WeakPolarHBondContact CA-OE2 3.45Å; S413-E479 WeakPolarHBondContact CB-OE1 3.36Å; S413-E479 PolarHBondContact N-OE2 3.47Å; S413-E479 PolarHBondContact OG-OE1 3.01Å; R428-E479 IonicContact CZ-OE1 3.88Å; R428-E479 IonicContact NH1-OE1 2.79Å; R428-E479 PolarHBondContact NH1-OE1 3.31Å; R428-E479 IonicContact NH2-OE1 2.82Å; R428-E479 PolarHBondContact NH2-OE1 2.8Å; R428-E479 IonicContact NH2-OE2 2.64Å; R428-E479 PolarHBondContact NH2-OE2 2.88Å; L475-E479 PolarHBondContact O-N 3.49Å; R476-E479 WeakPolarHBondContact O-CB 3.35Å; R476-E479 PolarHBondContact O-N 3.34Å; E479-C481 VanDerWaalsContact C-N 3.26Å; E479-C481 PolarHBondContact O-N 2.91Å; E479-L482 WeakPolarHBondContact O-CB 3.31Å; E479-L482 PolarHBondContact O-N 3.09Å; E479-F483 PolarHBondContact O-N 2.69Å; E479-L521 HydrophobicContact CB-CD1 3.74Å; E479-L521 HydrophobicContact CG-CD1 3.53Å; E479-V524 HydrophobicContact CG-CG2 4.4Å; E479-V524 WeakPolarHBondContact OE1-CG2 3.32Å |
| 480 | A | 90.7 | Very high | 89 | Confident | 7 Ų | 7 | 26.3 Ų | 26.3 | 6% | 0.058 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.3 | -36.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T408 C411 P412 S478 F483 M484 | T408-A480 VanDerWaalsContact O-CB 3.29Å; T408-A480 WeakPolarHBondContact O-CB 3.38Å; C411-A480 HydrophobicContact CB-CB 3.85Å; P412-A480 HydrophobicContact CB-CB 4.41Å; P412-A480 HydrophobicContact CG-CB 3.88Å; S478-A480 PolarHBondContact O-N 2.99Å; A480-F483 WeakPolarHBondContact O-CB 3.41Å; A480-F483 PolarHBondContact O-N 2.71Å; A480-M484 VanDerWaalsContact O-CG 3.24Å; A480-M484 WeakPolarHBondContact O-CG 3.26Å; A480-M484 PolarHBondContact O-N 2.68Å |
| 481 | C | 92.4 | Very high | 89.1 | Confident | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.014 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -72 | -37.1 | 179 | -59.3 | 0 | 0 | 0 | 0 | 111.4 | Y454 V455 S478 E479 F483 M484 L485 | Y454-C481 WeakPolarHBondContact CD1-SG 3.25Å; Y454-C481 WeakPolarHBondContact CE1-SG 3.36Å; V455-C481 HydrophobicContact CG2-CB 3.83Å; S478-C481 WeakPolarHBondContact O-CA 3.48Å; S478-C481 WeakPolarHBondContact O-CB 3.44Å; S478-C481 PolarHBondContact O-N 3.36Å; E479-C481 VanDerWaalsContact C-N 3.26Å; E479-C481 PolarHBondContact O-N 2.91Å; C481-F483 VanDerWaalsContact C-N 3.35Å; C481-M484 PolarHBondContact O-N 3.19Å; C481-L485 WeakPolarHBondContact O-CB 3.45Å; C481-L485 VanDerWaalsContact O-CG 3.27Å; C481-L485 WeakPolarHBondContact O-CG 3.44Å; C481-L485 PolarHBondContact O-N 3.5Å |
| 482 | L | 92.1 | Very high | 89.1 | Confident | 4 Ų | 4 | 29.5 Ų | 29.5 | 2% | 0.021 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.5 | -40.2 | 173.2 | -64.8 | 172.2 | 0 | 0 | 0 | 111.4 | L475 S478 E479 L485 T486 L504 V509 V524 L528 | L475-L482 HydrophobicContact CD1-CD1 3.36Å; L475-L482 HydrophobicContact CG-CD1 4.04Å; S478-L482 WeakPolarHBondContact O-CG 3.5Å; S478-L482 PolarHBondContact O-N 3.22Å; E479-L482 WeakPolarHBondContact O-CB 3.31Å; E479-L482 PolarHBondContact O-N 3.09Å; L482-L485 HydrophobicContact CD2-CD1 4.13Å; L482-L485 WeakPolarHBondContact O-CB 3.26Å; L482-L485 PolarHBondContact O-N 3.42Å; L482-T486 WeakPolarHBondContact O-CG2 3.5Å; L482-T486 PolarHBondContact O-N 3.1Å; L482-L504 HydrophobicContact CD2-CD1 4.13Å; L482-L504 HydrophobicContact CD2-CD2 4.42Å; L482-V509 HydrophobicContact CD2-CG2 4.29Å; L482-V524 HydrophobicContact CB-CG1 3.65Å; L482-L528 HydrophobicContact CD2-CD2 4.22Å |
| 483 | F | 92.9 | Very high | 88.8 | Confident | 9 Ų | 9 | 26.9 Ų | 26.9 | 4% | 0.039 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -57.5 | -50.3 | 170.8 | 170.6 | -97.3 | 0 | 0 | 0 | 110.7 | C411 R428 E479 A480 C481 L485 T486 V524 M527 | C411-F483 HydrophobicContact CB-CD1 4.21Å; R428-F483 HydrophobicContact CB-CE1 3.9Å; R428-F483 HydrophobicContact CB-CE2 3.98Å; R428-F483 HydrophobicContact CB-CZ 3.42Å; R428-F483 VanDerWaalsContact CB-CZ 3.42Å; R428-F483 HydrophobicContact CG-CD1 4.18Å; R428-F483 HydrophobicContact CG-CE1 3.66Å; R428-F483 HydrophobicContact CG-CE2 4.09Å; R428-F483 HydrophobicContact CG-CZ 3.63Å; R428-F483 WeakPolarHBondContact O-CZ 3.49Å; E479-F483 PolarHBondContact O-N 2.69Å; A480-F483 WeakPolarHBondContact O-CB 3.41Å; A480-F483 PolarHBondContact O-N 2.71Å; C481-F483 VanDerWaalsContact C-N 3.35Å; F483-L485 VanDerWaalsContact C-N 3.26Å; F483-L485 PolarHBondContact O-N 2.67Å; F483-T486 WeakPolarHBondContact O-CB 3.49Å; F483-T486 WeakPolarHBondContact O-CG2 3.47Å; F483-T486 PolarHBondContact O-N 2.92Å; F483-T486 PolarHBondContact O-OG1 2.92Å; F483-V524 HydrophobicContact CB-CG1 4.23Å; F483-V524 HydrophobicContact CB-CG2 4.31Å; F483-M527 HydrophobicContact CD2-CE 4.34Å; F483-M527 HydrophobicContact CE2-CE 4.13Å |
| 484 | M | 93.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -59.4 | -36.8 | 176.4 | -65.9 | -63.4 | -81.2 | 0 | 0 | 112.2 | V404 L407 T408 V431 M435 L451 A480 C481 T486 T487 | V404-M484 HydrophobicContact CG1-CE 4.47Å; L407-M484 HydrophobicContact CB-CE 3.93Å; L407-M484 HydrophobicContact CD1-CE 4.48Å; T408-M484 HydrophobicContact CG2-CG 4.17Å; V431-M484 HydrophobicContact CG1-CE 3.79Å; V431-M484 HydrophobicContact CG1-SD 3.42Å; V431-M484 WeakPolarHBondContact CG1-SD 3.42Å; M435-M484 HydrophobicContact CE-CE 3.9Å; M435-M484 HydrophobicContact CG-CE 3.56Å; M435-M484 HydrophobicContact CG-SD 4.34Å; M435-M484 HydrophobicContact SD-CE 3.38Å; M435-M484 WeakPolarHBondContact SD-CE 3.48Å; L451-M484 HydrophobicContact CD1-CB 3.89Å; L451-M484 HydrophobicContact CD2-CB 4.25Å; A480-M484 VanDerWaalsContact O-CG 3.24Å; A480-M484 WeakPolarHBondContact O-CG 3.26Å; A480-M484 PolarHBondContact O-N 2.68Å; C481-M484 PolarHBondContact O-N 3.19Å; M484-T486 PolarHBondContact O-N 3.37Å; M484-T487 PolarHBondContact O-N 3.32Å; M484-T487 PolarHBondContact O-OG1 3.21Å |
| 485 | L | 93.1 | Very high | 87.9 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.9 | -24.6 | 176.9 | -78.2 | 167 | 0 | 0 | 0 | 113.4 | F448 L451 C481 L482 F483 T487 V488 A489 L504 L528 | F448-L485 HydrophobicContact CD2-CD2 3.37Å; F448-L485 HydrophobicContact CE2-CD2 3.78Å; F448-L485 HydrophobicContact CG-CD2 4.19Å; L451-L485 HydrophobicContact CB-CD2 3.83Å; L451-L485 HydrophobicContact CB-CG 4.08Å; L451-L485 HydrophobicContact CD1-CD2 3.94Å; L451-L485 HydrophobicContact CD1-CG 4.05Å; C481-L485 WeakPolarHBondContact O-CB 3.45Å; C481-L485 VanDerWaalsContact O-CG 3.27Å; C481-L485 WeakPolarHBondContact O-CG 3.44Å; C481-L485 PolarHBondContact O-N 3.5Å; L482-L485 HydrophobicContact CD2-CD1 4.13Å; L482-L485 WeakPolarHBondContact O-CB 3.26Å; L482-L485 PolarHBondContact O-N 3.42Å; F483-L485 VanDerWaalsContact C-N 3.26Å; F483-L485 PolarHBondContact O-N 2.67Å; L485-T487 PolarHBondContact O-N 3.26Å; L485-V488 HydrophobicContact CD2-CG2 3.88Å; L485-V488 VanDerWaalsContact O-CG2 3.23Å; L485-V488 WeakPolarHBondContact O-CG2 3.37Å; L485-V488 PolarHBondContact O-N 3.46Å; L485-V488 VanDerWaalsContact O-N 3.15Å; L485-A489 VanDerWaalsContact O-CB 3.31Å; L485-A489 WeakPolarHBondContact O-CB 3.18Å; L485-A489 PolarHBondContact O-N 2.96Å; L485-L504 HydrophobicContact CD1-CD2 3.92Å; L485-L528 HydrophobicContact CB-CD1 4.42Å |
| 486 | T | 92.5 | Very high | 87.6 | Confident | 2 Ų | 2 | 34.5 Ų | 34.5 | 1% | 0.012 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59 | -33.4 | 175.2 | 69 | 0 | 0 | 0 | 0 | 111.9 | L482 F483 M484 V488 M527 L528 E531 | L482-T486 WeakPolarHBondContact O-CG2 3.5Å; L482-T486 PolarHBondContact O-N 3.1Å; F483-T486 WeakPolarHBondContact O-CB 3.49Å; F483-T486 WeakPolarHBondContact O-CG2 3.47Å; F483-T486 PolarHBondContact O-N 2.92Å; F483-T486 PolarHBondContact O-OG1 2.92Å; M484-T486 PolarHBondContact O-N 3.37Å; T486-V488 VanDerWaalsContact C-N 3.29Å; T486-V488 PolarHBondContact O-N 3.34Å; T486-M527 HydrophobicContact CG2-CB 3.95Å; T486-L528 HydrophobicContact CG2-CB 4.36Å; T486-E531 WeakPolarHBondContact O-CG 3.49Å |
| 487 | T | 90.6 | Very high | 86.9 | Confident | 4 Ų | 4 | 31.3 Ų | 31.3 | 3% | 0.025 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.5 | -29.1 | 178.8 | 64.4 | 0 | 0 | 0 | 0 | 113.4 | H432 M435 L439 M484 L485 | H432-T487 HydrophobicContact CB-CG2 4.3Å; H432-T487 VanDerWaalsContact ND1-CG2 3.26Å; H432-T487 WeakPolarHBondContact ND1-CG2 3.39Å; M435-T487 HydrophobicContact CB-CG2 3.7Å; M435-T487 WeakPolarHBondContact CE-OG1 3.48Å; M435-T487 HydrophobicContact CG-CG2 4.22Å; L439-T487 VanDerWaalsContact CD2-O 3.3Å; L439-T487 WeakPolarHBondContact CD2-O 3.42Å; M484-T487 PolarHBondContact O-N 3.32Å; M484-T487 PolarHBondContact O-OG1 3.21Å; L485-T487 PolarHBondContact O-N 3.26Å |
| 488 | V | 91.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -104.3 | -26.7 | -173.8 | -59.9 | 0 | 0 | 0 | 0 | 113.3 | L439 I447 F448 L485 T486 K490 R491 L492 | L439-V488 HydrophobicContact CD1-CG1 3.6Å; L439-V488 HydrophobicContact CD2-CB 4.21Å; L439-V488 HydrophobicContact CD2-CG1 3.63Å; L439-V488 HydrophobicContact CG-CG1 3.75Å; I447-V488 HydrophobicContact CB-CG1 4.14Å; I447-V488 HydrophobicContact CG2-CG1 3.65Å; F448-V488 HydrophobicContact CB-CG2 4.14Å; F448-V488 HydrophobicContact CD2-CG2 4.07Å; L485-V488 HydrophobicContact CD2-CG2 3.88Å; L485-V488 VanDerWaalsContact O-CG2 3.23Å; L485-V488 WeakPolarHBondContact O-CG2 3.37Å; L485-V488 PolarHBondContact O-N 3.46Å; L485-V488 VanDerWaalsContact O-N 3.15Å; T486-V488 VanDerWaalsContact C-N 3.29Å; T486-V488 PolarHBondContact O-N 3.34Å; V488-K490 VanDerWaalsContact C-N 3.32Å; V488-K490 PolarHBondContact O-N 3.17Å; V488-R491 PolarHBondContact O-N 3.07Å; V488-L492 PolarHBondContact O-N 3.07Å |
| 489 | A | 88.8 | Confident | 86.4 | Confident | 3 Ų | 3 | 40.3 Ų | 40.3 | 3% | 0.025 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -53.8 | -45 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L485 R491 L492 S493 L528 E531 L532 | L485-A489 VanDerWaalsContact O-CB 3.31Å; L485-A489 WeakPolarHBondContact O-CB 3.18Å; L485-A489 PolarHBondContact O-N 2.96Å; A489-R491 VanDerWaalsContact C-N 3.35Å; A489-R491 PolarHBondContact O-N 3.15Å; A489-L492 PolarHBondContact O-N 3.34Å; A489-S493 PolarHBondContact O-N 3.08Å; A489-S493 VanDerWaalsContact O-N 3.13Å; A489-L528 HydrophobicContact CB-CD1 3.9Å; A489-E531 HydrophobicContact CB-CB 3.83Å; A489-L532 HydrophobicContact CB-CD2 3.77Å; A489-L532 HydrophobicContact CB-CG 3.96Å |
| 490 | K | 88.1 | Confident | 86.3 | Confident | 68 Ų | 68 | 41.2 Ų | 41.2 | 30% | 0.296 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -64.6 | -33.4 | 179.7 | -179.8 | 178 | 173.9 | -168.8 | 0 | 113.9 | V488 L492 S493 E531 P935 N936 | V488-K490 VanDerWaalsContact C-N 3.32Å; V488-K490 PolarHBondContact O-N 3.17Å; K490-L492 VanDerWaalsContact C-N 3.33Å; K490-S493 WeakPolarHBondContact O-CB 3.26Å; K490-S493 PolarHBondContact O-N 3.46Å; K490-E531 WeakPolarHBondContact CA-O 3.42Å; K490-E531 HydrophobicContact CB-CB 4.31Å; K490-E531 WeakPolarHBondContact CB-OE2 3.38Å; K490-E531 VanDerWaalsContact CD-OE2 3.28Å; K490-E531 WeakPolarHBondContact CD-OE2 3.41Å; K490-P935 PolarHBondContact NZ-O 3.49Å; K490-N936 WeakPolarHBondContact CE-OD1 3.41Å; K490-N936 VanDerWaalsContact NZ-CG 3.29Å; K490-N936 PolarHBondContact NZ-ND2 3.16Å; K490-N936 PolarHBondContact NZ-OD1 3.06Å |
| 491 | R | 85.1 | Confident | 86.3 | Confident | 127 Ų | 127 | 41 Ų | 41 | 48% | 0.479 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -74.5 | -23.7 | 178.1 | -61.9 | -161.7 | -167.7 | -176.8 | 5.4 | 112.9 | Q436 L439 A444 V488 A489 | Q436-R491 PolarHBondContact O-NH2 3.05Å; L439-R491 HydrophobicContact CD2-CG 4.48Å; A444-R491 HydrophobicContact CB-CB 3.9Å; V488-R491 PolarHBondContact O-N 3.07Å; A489-R491 VanDerWaalsContact C-N 3.35Å; A489-R491 PolarHBondContact O-N 3.15Å |
| 492 | L | 84.4 | Confident | 86.2 | Confident | 19 Ų | 19 | 41.8 Ų | 41.8 | 10% | 0.099 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -82.1 | -32.2 | 175 | -61.3 | 174.2 | 0 | 0 | 0 | 111.3 | A444 E445 F448 V488 A489 K490 R495 I501 | A444-L492 HydrophobicContact CB-CD2 4.12Å; A444-L492 HydrophobicContact CB-CG 4.49Å; E445-L492 HydrophobicContact CB-CD2 4.33Å; F448-L492 HydrophobicContact CB-CD1 3.49Å; F448-L492 VanDerWaalsContact CB-CD1 3.49Å; F448-L492 HydrophobicContact CD1-CD1 3.97Å; F448-L492 HydrophobicContact CD2-CD1 3.26Å; F448-L492 HydrophobicContact CE2-CD1 3.98Å; F448-L492 HydrophobicContact CG-CD1 3.28Å; V488-L492 PolarHBondContact O-N 3.07Å; A489-L492 PolarHBondContact O-N 3.34Å; K490-L492 VanDerWaalsContact C-N 3.33Å; L492-R495 CarbonylContact O-C 3.58Å; L492-R495 VanDerWaalsContact O-CA 3.32Å; L492-R495 WeakPolarHBondContact O-CA 3.14Å; L492-R495 VanDerWaalsContact O-CB 3.3Å; L492-R495 WeakPolarHBondContact O-CB 3.43Å; L492-R495 PolarHBondContact O-N 3.4Å; L492-I501 HydrophobicContact CB-CD1 4.07Å |
| 493 | S | 79.5 | Confident | 86.2 | Confident | 18 Ų | 18 | 43.2 Ų | 43.2 | 13% | 0.126 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | 125.9 | 176.8 | -153.2 | 0 | 0 | 0 | 0 | 112.9 | A489 K490 H534 W535 | A489-S493 PolarHBondContact O-N 3.08Å; A489-S493 VanDerWaalsContact O-N 3.13Å; K490-S493 WeakPolarHBondContact O-CB 3.26Å; K490-S493 PolarHBondContact O-N 3.46Å; S493-H534 WeakPolarHBondContact OG-CB 3.41Å; S493-W535 WeakPolarHBondContact OG-CB 3.43Å; S493-W535 PolarHBondContact OG-N 3.25Å |
| 494 | P | 75.4 | Confident | 86.2 | Confident | 26 Ų | 26 | 43 Ų | 43 | 17% | 0.169 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -95.7 | 5 | 9.6 | 34.6 | -31.5 | 0 | 0 | 0 | 115.3 | H534 T592 | P494-H534 VanDerWaalsContact CB-CD2 3.43Å; P494-H534 WeakPolarHBondContact CB-CD2 3.24Å; P494-T592 HydrophobicContact CG-CG2 4.29Å |
| 495 | R | 77.3 | Confident | 86.2 | Confident | 170 Ų | 170 | 43 Ų | 43 | 64% | 0.642 | 20% | 0.202 | S | C | * | . | trans | -70.7 | 134.8 | -177.7 | -59 | -177 | 176 | 177.8 | 0.8 | 110.3 | L492 P497 I501 | L492-R495 CarbonylContact O-C 3.58Å; L492-R495 VanDerWaalsContact O-CA 3.32Å; L492-R495 WeakPolarHBondContact O-CA 3.14Å; L492-R495 VanDerWaalsContact O-CB 3.3Å; L492-R495 WeakPolarHBondContact O-CB 3.43Å; L492-R495 PolarHBondContact O-N 3.4Å; R495-P497 VanDerWaalsContact C-CD 3.48Å; R495-I501 WeakPolarHBondContact O-CD1 3.33Å | ||
| 496 | D | 81 | Confident | 86.2 | Confident | 29 Ų | 29 | 45.2 Ų | 45.2 | 16% | 0.155 | 22% | 0.218 | C | C | . | . | trans | -131.4 | 64.7 | 172.7 | -167 | 6.4 | 0 | 0 | 0 | 109.3 | E498 E499 H500 I501 S502 W535 | D496-E498 PolarHBondContact O-N 3.18Å; D496-E499 PolarHBondContact O-N 3.01Å; D496-E499 VanDerWaalsContact OD1-C 3.23Å; D496-E499 WeakPolarHBondContact OD1-CA 3.43Å; D496-H500 PolarHBondContact OD1-N 2.77Å; D496-I501 WeakPolarHBondContact OD1-CB 3.5Å; D496-I501 PolarHBondContact OD1-N 2.94Å; D496-S502 VanDerWaalsContact OD2-CB 3.26Å; D496-S502 WeakPolarHBondContact OD2-CB 2.8Å; D496-S502 PolarHBondContact OD2-N 3.25Å; D496-S502 PolarHBondContact OD2-OG 3.39Å; D496-W535 PolarHBondContact OD2-NE1 3Å; D496-W535 VanDerWaalsContact OD2-NE1 3.15Å | ||
| 497 | P | 71.6 | Confident | 86 | Confident | 58 Ų | 58 | 52 Ų | 52 | 38% | 0.377 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -60.9 | 133.5 | 178.4 | 27.7 | -32 | 0 | 0 | 0 | 108.9 | R495 E499 | R495-P497 VanDerWaalsContact C-CD 3.48Å; P497-E499 PolarHBondContact O-N 3.44Å |
| 498 | E | 79.5 | Confident | 86.1 | Confident | 159 Ų | 159 | 52.3 Ų | 52.3 | 74% | 0.743 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | 63.4 | 15.1 | -178.3 | -51.4 | -176.5 | 166.3 | 0 | 0 | 115 | D496 H500 | D496-E498 PolarHBondContact O-N 3.18Å; E498-H500 PolarHBondContact O-N 3.2Å; E498-H500 VanDerWaalsContact O-N 3.16Å; E498-H500 IonicContact OE2-CE1 3.62Å; E498-H500 PolarHBondContact OE2-CE1 2.98Å; E498-H500 IonicContact OE2-NE2 3.94Å; E498-H500 PolarHBondContact OE2-NE2 3.19Å |
| 499 | E | 84.5 | Confident | 86.1 | Confident | 128 Ų | 128 | 52.4 Ų | 52.4 | 60% | 0.598 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | 56.8 | 25.6 | 179.6 | -58.7 | -176.3 | 173.9 | 0 | 0 | 113.7 | D496 P497 I501 S502 N503 | D496-E499 PolarHBondContact O-N 3.01Å; D496-E499 VanDerWaalsContact OD1-C 3.23Å; D496-E499 WeakPolarHBondContact OD1-CA 3.43Å; P497-E499 PolarHBondContact O-N 3.44Å; E499-I501 PolarHBondContact O-N 3.27Å; E499-S502 PolarHBondContact O-N 3.43Å; E499-N503 VanDerWaalsContact O-CB 3.27Å; E499-N503 WeakPolarHBondContact O-CB 3.28Å; E499-N503 VanDerWaalsContact O-CG 3.28Å; E499-N503 PolarHBondContact O-N 3.28Å; E499-N503 PolarHBondContact O-ND2 3.4Å |
| 500 | H | 88.3 | Confident | 86.4 | Confident | 32 Ų | 32 | 52.8 Ų | 52.8 | 15% | 0.148 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.3 | -40.6 | -178.1 | -68.3 | 151 | 0 | 0 | 0 | 112.9 | F448 Y452 D496 E498 N503 L504 | F448-H500 HydrophobicContact CE1-CB 3.56Å; F448-H500 HydrophobicContact CZ-CB 4.04Å; Y452-H500 HydrophobicContact CE1-CB 4.39Å; Y452-H500 AromaticContact CE1-CD2 3.42Å; Y452-H500 VanDerWaalsContact CE1-CD2 3.42Å; Y452-H500 WeakPolarHBondContact CE1-CD2 3.27Å; Y452-H500 AromaticContact CE1-CG 3.97Å; Y452-H500 AromaticContact CE1-NE2 3.84Å; Y452-H500 AromaticContact CZ-CD2 3.89Å; D496-H500 PolarHBondContact OD1-N 2.77Å; E498-H500 PolarHBondContact O-N 3.2Å; E498-H500 VanDerWaalsContact O-N 3.16Å; E498-H500 IonicContact OE2-CE1 3.62Å; E498-H500 PolarHBondContact OE2-CE1 2.98Å; E498-H500 IonicContact OE2-NE2 3.94Å; E498-H500 PolarHBondContact OE2-NE2 3.19Å; H500-N503 PolarHBondContact O-N 3.15Å; H500-L504 VanDerWaalsContact O-CB 3.3Å; H500-L504 WeakPolarHBondContact O-CB 3.38Å; H500-L504 PolarHBondContact O-N 3.48Å |
| 501 | I | 90.6 | Very high | 86.5 | Confident | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.015 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.1 | -47.6 | 177 | -55.8 | 176.4 | 0 | 0 | 0 | 109 | F448 L492 R495 D496 E499 N503 L504 I505 L532 W535 | F448-I501 HydrophobicContact CE2-CG1 4.14Å; F448-I501 HydrophobicContact CZ-CG1 3.8Å; L492-I501 HydrophobicContact CB-CD1 4.07Å; R495-I501 WeakPolarHBondContact O-CD1 3.33Å; D496-I501 WeakPolarHBondContact OD1-CB 3.5Å; D496-I501 PolarHBondContact OD1-N 2.94Å; E499-I501 PolarHBondContact O-N 3.27Å; I501-N503 VanDerWaalsContact C-N 3.3Å; I501-N503 PolarHBondContact O-N 3.08Å; I501-L504 PolarHBondContact O-N 3.46Å; I501-I505 HydrophobicContact CG2-CG1 4.15Å; I501-I505 WeakPolarHBondContact O-CB 2.93Å; I501-I505 VanDerWaalsContact O-CG1 3.31Å; I501-I505 WeakPolarHBondContact O-CG1 3.48Å; I501-I505 PolarHBondContact O-N 3.35Å; I501-L532 HydrophobicContact CD1-CD2 4.27Å; I501-L532 HydrophobicContact CG2-CD1 3.84Å; I501-L532 HydrophobicContact CG2-CD2 3.92Å; I501-W535 HydrophobicContact CB-CZ2 4.47Å; I501-W535 HydrophobicContact CG2-CD2 3.72Å; I501-W535 HydrophobicContact CG2-CE3 4.21Å; I501-W535 HydrophobicContact CG2-CG 4.09Å; I501-W535 HydrophobicContact CG2-CH2 4.38Å; I501-W535 HydrophobicContact CG2-CZ2 3.92Å |
| 502 | S | 91.3 | Very high | 86.6 | Confident | 18 Ų | 18 | 45.8 Ų | 45.8 | 13% | 0.126 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -54.8 | -45.3 | 174.7 | -68.1 | 0 | 0 | 0 | 0 | 112.3 | D496 E499 S506 W535 | D496-S502 VanDerWaalsContact OD2-CB 3.26Å; D496-S502 WeakPolarHBondContact OD2-CB 2.8Å; D496-S502 PolarHBondContact OD2-N 3.25Å; D496-S502 PolarHBondContact OD2-OG 3.39Å; E499-S502 PolarHBondContact O-N 3.43Å; S502-S506 WeakPolarHBondContact O-CB 3.42Å; S502-S506 PolarHBondContact O-N 3.33Å; S502-S506 PolarHBondContact O-OG 3.48Å; S502-W535 WeakPolarHBondContact OG-CZ2 3.39Å |
| 503 | N | 91 | Very high | 86.8 | Confident | 33 Ų | 33 | 45.2 Ų | 45.2 | 18% | 0.176 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.7 | -46.3 | 177.7 | -79.5 | -53 | 0 | 0 | 0 | 111.9 | E499 H500 I501 I505 K507 | E499-N503 VanDerWaalsContact O-CB 3.27Å; E499-N503 WeakPolarHBondContact O-CB 3.28Å; E499-N503 VanDerWaalsContact O-CG 3.28Å; E499-N503 PolarHBondContact O-N 3.28Å; E499-N503 PolarHBondContact O-ND2 3.4Å; H500-N503 PolarHBondContact O-N 3.15Å; I501-N503 VanDerWaalsContact C-N 3.3Å; I501-N503 PolarHBondContact O-N 3.08Å; N503-I505 PolarHBondContact O-N 3.26Å; N503-K507 HydrophobicContact CB-CD 4.44Å; N503-K507 WeakPolarHBondContact O-CB 3.36Å; N503-K507 PolarHBondContact O-N 2.93Å; N503-K507 VanDerWaalsContact OD1-CE 3.23Å; N503-K507 WeakPolarHBondContact OD1-CE 3.21Å; N503-K507 PolarHBondContact OD1-NZ 2.81Å |
| 504 | L | 92 | Very high | 87 | Confident | 6 Ų | 6 | 49.1 Ų | 49.1 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.2 | -49.5 | 177.6 | -179.3 | 67.4 | 0 | 0 | 0 | 111.1 | Y452 V455 L482 L485 H500 I501 L508 V509 L528 | Y452-L504 HydrophobicContact CE2-CB 4.37Å; V455-L504 HydrophobicContact CG1-CD1 4.39Å; L482-L504 HydrophobicContact CD2-CD1 4.13Å; L482-L504 HydrophobicContact CD2-CD2 4.42Å; L485-L504 HydrophobicContact CD1-CD2 3.92Å; H500-L504 VanDerWaalsContact O-CB 3.3Å; H500-L504 WeakPolarHBondContact O-CB 3.38Å; H500-L504 PolarHBondContact O-N 3.48Å; I501-L504 PolarHBondContact O-N 3.46Å; L504-L508 HydrophobicContact CD1-CD2 3.97Å; L504-L508 WeakPolarHBondContact O-CB 3.5Å; L504-L508 PolarHBondContact O-N 3.44Å; L504-L508 VanDerWaalsContact O-N 3.13Å; L504-V509 HydrophobicContact CG-CG2 4.26Å; L504-V509 PolarHBondContact O-N 3.11Å; L504-V509 VanDerWaalsContact O-N 3.08Å; L504-L528 HydrophobicContact CD2-CD2 4.5Å |
| 505 | I | 93.7 | Very high | 86.9 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.265 | C | S | . | . | I | π-helix | trans | -70.6 | -48.5 | -176.4 | -62 | -62.2 | 0 | 0 | 0 | 111.7 | I501 N503 V509 L510 L528 Y529 L532 W535 I546 | I501-I505 HydrophobicContact CG2-CG1 4.15Å; I501-I505 WeakPolarHBondContact O-CB 2.93Å; I501-I505 VanDerWaalsContact O-CG1 3.31Å; I501-I505 WeakPolarHBondContact O-CG1 3.48Å; I501-I505 PolarHBondContact O-N 3.35Å; N503-I505 PolarHBondContact O-N 3.26Å; I505-V509 HydrophobicContact CD1-CB 4.2Å; I505-V509 HydrophobicContact CD1-CG2 4.06Å; I505-L510 HydrophobicContact CG2-CD1 3.91Å; I505-L510 HydrophobicContact CG2-CG 4.12Å; I505-L510 WeakPolarHBondContact O-CB 3.2Å; I505-L510 PolarHBondContact O-N 3.39Å; I505-L528 HydrophobicContact CD1-CD2 4.01Å; I505-L528 HydrophobicContact CD1-CG 4.44Å; I505-Y529 HydrophobicContact CD1-CD1 4.44Å; I505-Y529 HydrophobicContact CD1-CE1 4.09Å; I505-Y529 HydrophobicContact CG2-CE1 4.23Å; I505-L532 HydrophobicContact CD1-CD1 3.65Å; I505-L532 HydrophobicContact CG1-CD1 3.99Å; I505-W535 HydrophobicContact CB-CH2 3.93Å; I505-W535 HydrophobicContact CB-CZ3 4.28Å; I505-W535 HydrophobicContact CG1-CH2 3.98Å; I505-W535 HydrophobicContact CG1-CZ3 4.01Å; I505-W535 HydrophobicContact CG2-CH2 4.04Å; I505-W535 HydrophobicContact CG2-CZ3 4.13Å; I505-I546 HydrophobicContact CG2-CD1 4.34Å |
| 506 | S | 92.9 | Very high | 86.8 | Confident | 47 Ų | 47 | 48.2 Ų | 48.2 | 33% | 0.329 | 27% | 0.274 | S | S | . | . | I | π-helix | trans | -75.4 | -32 | -174.4 | 64.6 | 0 | 0 | 0 | 0 | 114.2 | S502 P511 | S502-S506 WeakPolarHBondContact O-CB 3.42Å; S502-S506 PolarHBondContact O-N 3.33Å; S502-S506 PolarHBondContact O-OG 3.48Å; S506-P511 WeakPolarHBondContact O-CD 3.31Å; S506-P511 VanDerWaalsContact O-CG 3.3Å; S506-P511 WeakPolarHBondContact O-CG 3.39Å |
| 507 | K | 90.1 | Very high | 86.8 | Confident | 144 Ų | 144 | 47.5 Ų | 47.5 | 63% | 0.626 | 27% | 0.271 | S | S | * | . | I | π-helix | trans | -98.3 | -26.6 | -175.1 | -61.1 | 175.4 | 172.7 | 164.6 | 0 | 113.8 | N503 | N503-K507 HydrophobicContact CB-CD 4.44Å; N503-K507 WeakPolarHBondContact O-CB 3.36Å; N503-K507 PolarHBondContact O-N 2.93Å; N503-K507 VanDerWaalsContact OD1-CE 3.23Å; N503-K507 WeakPolarHBondContact OD1-CE 3.21Å; N503-K507 PolarHBondContact OD1-NZ 2.81Å |
| 508 | L | 90.9 | Very high | 87.4 | Confident | 11 Ų | 11 | 47 Ų | 47 | 6% | 0.058 | 27% | 0.268 | C | S | . | . | I | π-helix | trans | -117.3 | -60.2 | -175.1 | -176.3 | 64.1 | 0 | 0 | 0 | 112.5 | V455 A471 V474 L475 L504 G512 | V455-L508 HydrophobicContact CG1-CD2 3.65Å; A471-L508 WeakPolarHBondContact O-CD1 3.4Å; V474-L508 HydrophobicContact CB-CD1 3.7Å; V474-L508 HydrophobicContact CG1-CD1 3.59Å; V474-L508 HydrophobicContact CG1-CD2 4.38Å; L475-L508 HydrophobicContact CB-CD1 4.18Å; L475-L508 HydrophobicContact CD1-CD1 4.27Å; L475-L508 HydrophobicContact CD1-CD2 4.29Å; L475-L508 HydrophobicContact CD1-CG 3.76Å; L504-L508 HydrophobicContact CD1-CD2 3.97Å; L504-L508 WeakPolarHBondContact O-CB 3.5Å; L504-L508 PolarHBondContact O-N 3.44Å; L504-L508 VanDerWaalsContact O-N 3.13Å; L508-G512 WeakPolarHBondContact O-CA 3.46Å; L508-G512 PolarHBondContact O-N 2.98Å |
| 509 | V | 92.9 | Very high | 87.7 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.012 | 24% | 0.238 | C | C | . | . | I | π-helix | trans | -69.7 | -55.6 | -169.3 | -173.1 | 0 | 0 | 0 | 0 | 112.2 | L475 L482 L504 I505 G512 L513 L528 Y529 | L475-V509 HydrophobicContact CD1-CG2 4.28Å; L482-V509 HydrophobicContact CD2-CG2 4.29Å; L504-V509 HydrophobicContact CG-CG2 4.26Å; L504-V509 PolarHBondContact O-N 3.11Å; L504-V509 VanDerWaalsContact O-N 3.08Å; I505-V509 HydrophobicContact CD1-CB 4.2Å; I505-V509 HydrophobicContact CD1-CG2 4.06Å; V509-G512 PolarHBondContact O-N 3.44Å; V509-L513 HydrophobicContact CG1-CD1 3.81Å; V509-L513 HydrophobicContact CG1-CG 4.37Å; V509-L513 WeakPolarHBondContact O-CB 3.38Å; V509-L513 VanDerWaalsContact O-CG 3.3Å; V509-L513 WeakPolarHBondContact O-CG 3.19Å; V509-L513 PolarHBondContact O-N 3.32Å; V509-L528 HydrophobicContact CG2-CD2 4.07Å; V509-Y529 HydrophobicContact CG1-CE1 4Å; V509-Y529 WeakPolarHBondContact CG1-OH 3.49Å |
| 510 | L | 93.3 | Very high | 87.6 | Confident | 10 Ų | 10 | 36.2 Ų | 36.2 | 5% | 0.052 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -56.7 | -52.8 | 179.1 | -82.5 | 166.5 | 0 | 0 | 0 | 111.5 | I505 L513 T514 Y529 L542 Q545 I546 Q549 | I505-L510 HydrophobicContact CG2-CD1 3.91Å; I505-L510 HydrophobicContact CG2-CG 4.12Å; I505-L510 WeakPolarHBondContact O-CB 3.2Å; I505-L510 PolarHBondContact O-N 3.39Å; L510-L513 PolarHBondContact O-N 3.33Å; L510-T514 WeakPolarHBondContact O-CG2 3.38Å; L510-T514 PolarHBondContact O-N 3.02Å; L510-Y529 WeakPolarHBondContact CD2-OH 3.05Å; L510-L542 HydrophobicContact CD1-CD2 3.99Å; L510-Q545 HydrophobicContact CD1-CB 4.19Å; L510-Q545 HydrophobicContact CD2-CB 4.03Å; L510-I546 HydrophobicContact CD2-CG1 4.06Å; L510-Q549 PolarHBondContact O-NE2 3.42Å |
| 511 | P | 91.6 | Very high | 87.5 | Confident | 48 Ų | 48 | 35.1 Ų | 35.1 | 31% | 0.312 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.5 | -37.4 | 178.9 | -20.8 | 34.2 | 0 | 0 | 0 | 113.6 | A471 S506 L513 T514 | A471-P511 HydrophobicContact CB-CB 3.85Å; S506-P511 WeakPolarHBondContact O-CD 3.31Å; S506-P511 VanDerWaalsContact O-CG 3.3Å; S506-P511 WeakPolarHBondContact O-CG 3.39Å; P511-L513 VanDerWaalsContact C-N 3.3Å; P511-L513 PolarHBondContact O-N 3.06Å; P511-T514 PolarHBondContact O-N 3.43Å; P511-T514 PolarHBondContact O-OG1 3.31Å |
| 512 | G | 87.4 | Confident | 87.6 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.6 | -26.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L508 V509 | L508-G512 WeakPolarHBondContact O-CA 3.46Å; L508-G512 PolarHBondContact O-N 2.98Å; V509-G512 PolarHBondContact O-N 3.44Å |
| 513 | L | 88.8 | Confident | 87.6 | Confident | 8 Ų | 8 | 37.2 Ų | 37.2 | 4% | 0.042 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -85.6 | -10.6 | 173.5 | -65.3 | 180 | 0 | 0 | 0 | 113.3 | L475 V509 L510 P511 L521 Q522 Y529 Q549 | L475-L513 HydrophobicContact CD2-CD2 3.73Å; L475-L513 HydrophobicContact CD2-CG 4Å; V509-L513 HydrophobicContact CG1-CD1 3.81Å; V509-L513 HydrophobicContact CG1-CG 4.37Å; V509-L513 WeakPolarHBondContact O-CB 3.38Å; V509-L513 VanDerWaalsContact O-CG 3.3Å; V509-L513 WeakPolarHBondContact O-CG 3.19Å; V509-L513 PolarHBondContact O-N 3.32Å; L510-L513 PolarHBondContact O-N 3.33Å; P511-L513 VanDerWaalsContact C-N 3.3Å; P511-L513 PolarHBondContact O-N 3.06Å; L513-L521 HydrophobicContact CD2-CG 4.4Å; L513-Q522 HydrophobicContact CD2-CG 4.47Å; L513-Y529 HydrophobicContact CD1-CE2 4.03Å; L513-Q549 VanDerWaalsContact CB-NE2 3.31Å |
| 514 | T | 83.4 | Confident | 87.6 | Confident | 99 Ų | 99 | 35.7 Ų | 35.7 | 61% | 0.607 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -75.4 | 123.9 | 172.6 | 58.3 | 0 | 0 | 0 | 0 | 111.1 | L510 P511 | L510-T514 WeakPolarHBondContact O-CG2 3.38Å; L510-T514 PolarHBondContact O-N 3.02Å; P511-T514 PolarHBondContact O-N 3.43Å; P511-T514 PolarHBondContact O-OG1 3.31Å |
| 515 | G | 73.3 | Confident | 87.7 | Confident | 49 Ų | 49 | 35.6 Ų | 35.6 | 51% | 0.505 | 22% | 0.218 | S | C | . | . | S | Bend | trans | 108.8 | -162.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | C517 | G515-C517 PolarHBondContact O-N 3.07Š|
| 516 | P | 73.8 | Confident | 87.7 | Confident | 128 Ų | 128 | 35.6 Ų | 35.6 | 83% | 0.831 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -76.5 | 73.7 | 178.9 | 32.3 | -33.2 | 0 | 0 | 0 | 110.8 | ||
| 517 | C | 82 | Confident | 87.8 | Confident | 14 Ų | 14 | 35.5 Ų | 35.5 | 10% | 0.095 | 21% | 0.212 | C | C | . | . | trans | -81.9 | 136.7 | 175.9 | -173.7 | 0 | 0 | 0 | 0 | 110.8 | G515 Q522 | G515-C517 PolarHBondContact O-N 3.07Å; C517-Q522 HydrophobicContact CB-CG 4Å | ||
| 518 | P | 84.3 | Confident | 88 | Confident | 48 Ų | 48 | 28.8 Ų | 28.8 | 31% | 0.312 | 18% | 0.184 | S | C | . | . | trans | -59.4 | 142 | 173.5 | -23.7 | 34.5 | 0 | 0 | 0 | 111.8 | Y472 L521 Q522 | Y472-P518 VanDerWaalsContact CE2-CD 3.43Å; Y472-P518 HydrophobicContact CE2-CG 4.21Å; Y472-P518 WeakPolarHBondContact OH-CD 3.38Å; Y472-P518 WeakPolarHBondContact OH-CG 3.17Å; P518-L521 WeakPolarHBondContact O-CB 3.45Å; P518-L521 PolarHBondContact O-N 3.42Å; P518-L521 VanDerWaalsContact O-N 3.11Å; P518-Q522 PolarHBondContact O-N 2.84Å | ||
| 519 | P | 85.1 | Confident | 88.2 | Confident | 18 Ų | 18 | 28.4 Ų | 28.4 | 12% | 0.117 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.2 | -39.9 | -175.6 | -22.5 | 31.1 | 0 | 0 | 0 | 116.3 | L521 Q522 E523 G568 Q569 A572 | P519-L521 PolarHBondContact O-N 2.69Å; P519-Q522 WeakPolarHBondContact O-CB 3.34Å; P519-Q522 PolarHBondContact O-N 3.31Å; P519-Q522 VanDerWaalsContact O-N 3.08Å; P519-E523 PolarHBondContact O-N 3.22Å; P519-G568 WeakPolarHBondContact CB-O 3.41Å; P519-Q569 HydrophobicContact CB-CB 4.46Å; P519-Q569 HydrophobicContact CB-CG 3.94Å; P519-Q569 VanDerWaalsContact CB-N 3.32Å; P519-Q569 HydrophobicContact CG-CB 4.37Å; P519-Q569 HydrophobicContact CG-CG 3.37Å; P519-A572 HydrophobicContact CB-CB 4.49Å |
| 520 | P | 82.2 | Confident | 88.3 | Confident | 43 Ų | 43 | 30.2 Ų | 30.2 | 28% | 0.279 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -59.4 | -33.7 | 177.1 | -25.9 | 35.6 | 0 | 0 | 0 | 113.3 | E523 V524 | P520-E523 WeakPolarHBondContact O-CB 3.5Å; P520-E523 PolarHBondContact O-N 3.14Å; P520-V524 PolarHBondContact O-N 2.6Å; P520-V524 VanDerWaalsContact O-N 3.15Å |
| 521 | L | 87.7 | Confident | 88.3 | Confident | 8 Ų | 8 | 32 Ų | 32 | 4% | 0.042 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -74.7 | -34.5 | 178.3 | -166.4 | 59.3 | 0 | 0 | 0 | 111.5 | Y472 L475 R476 E479 L513 P518 P519 G525 | Y472-L521 HydrophobicContact CD2-CD2 4.32Å; Y472-L521 HydrophobicContact CE2-CD2 4.13Å; L475-L521 HydrophobicContact CB-CD2 4.17Å; L475-L521 HydrophobicContact CD2-CD1 4.1Å; L475-L521 HydrophobicContact CD2-CD2 3.57Å; L475-L521 HydrophobicContact CD2-CG 3.66Å; L475-L521 HydrophobicContact CG-CD1 3.93Å; L475-L521 HydrophobicContact CG-CD2 3.86Å; L475-L521 HydrophobicContact CG-CG 4.02Å; R476-L521 HydrophobicContact CB-CD2 4.5Å; E479-L521 HydrophobicContact CB-CD1 3.74Å; E479-L521 HydrophobicContact CG-CD1 3.53Å; L513-L521 HydrophobicContact CD2-CG 4.4Å; P518-L521 WeakPolarHBondContact O-CB 3.45Å; P518-L521 PolarHBondContact O-N 3.42Å; P518-L521 VanDerWaalsContact O-N 3.11Å; P519-L521 PolarHBondContact O-N 2.69Å; L521-G525 PolarHBondContact O-N 2.82Å |
| 522 | Q | 91.3 | Very high | 88.4 | Confident | 28 Ų | 28 | 29.9 Ų | 29.9 | 13% | 0.131 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.8 | -44.2 | 171.2 | -62.6 | -176.2 | -40.6 | 0 | 0 | 111.1 | L513 C517 P518 P519 G525 C526 I553 A572 | L513-Q522 HydrophobicContact CD2-CG 4.47Å; C517-Q522 HydrophobicContact CB-CG 4Å; P518-Q522 PolarHBondContact O-N 2.84Å; P519-Q522 WeakPolarHBondContact O-CB 3.34Å; P519-Q522 PolarHBondContact O-N 3.31Å; P519-Q522 VanDerWaalsContact O-N 3.08Å; Q522-G525 PolarHBondContact O-N 3.21Å; Q522-C526 PolarHBondContact O-N 3.25Å; Q522-C526 PolarHBondContact O-SG 3Å; Q522-I553 HydrophobicContact CB-CD1 4.44Å; Q522-A572 HydrophobicContact CB-CB 3.87Å |
| 523 | E | 91 | Very high | 88.6 | Confident | 38 Ų | 38 | 30.2 Ų | 30.2 | 18% | 0.178 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.3 | -54.3 | 176.4 | -179.4 | -175.2 | -178.4 | 0 | 0 | 111.9 | P519 P520 G525 C526 M527 L571 A572 A575 | P519-E523 PolarHBondContact O-N 3.22Å; P520-E523 WeakPolarHBondContact O-CB 3.5Å; P520-E523 PolarHBondContact O-N 3.14Å; E523-G525 VanDerWaalsContact C-N 3.27Å; E523-G525 PolarHBondContact O-N 3.24Å; E523-C526 WeakPolarHBondContact O-CB 3.47Å; E523-C526 PolarHBondContact O-N 3.27Å; E523-C526 VanDerWaalsContact O-N 3.09Å; E523-M527 HydrophobicContact CG-SD 4.29Å; E523-M527 WeakPolarHBondContact O-CG 3.28Å; E523-M527 PolarHBondContact O-N 3.08Å; E523-L571 HydrophobicContact CG-CB 4.29Å; E523-L571 WeakPolarHBondContact OE2-CB 3.38Å; E523-A572 HydrophobicContact CB-CB 4.39Å; E523-A575 HydrophobicContact CG-CB 4.11Å |
| 524 | V | 91.9 | Very high | 88.7 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.6 | -39 | 178.1 | 172.5 | 0 | 0 | 0 | 0 | 111.7 | E479 L482 F483 P520 M527 L528 | E479-V524 HydrophobicContact CG-CG2 4.4Å; E479-V524 WeakPolarHBondContact OE1-CG2 3.32Å; L482-V524 HydrophobicContact CB-CG1 3.65Å; F483-V524 HydrophobicContact CB-CG1 4.23Å; F483-V524 HydrophobicContact CB-CG2 4.31Å; P520-V524 PolarHBondContact O-N 2.6Å; P520-V524 VanDerWaalsContact O-N 3.15Å; V524-M527 PolarHBondContact O-N 3.42Å; V524-L528 WeakPolarHBondContact O-CB 3.49Å; V524-L528 PolarHBondContact O-N 3.09Å |
| 525 | G | 93.2 | Very high | 89.1 | Confident | 4 Ų | 4 | 28.1 Ų | 28.1 | 4% | 0.041 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.2 | -46.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L521 Q522 E523 L528 Y529 | L521-G525 PolarHBondContact O-N 2.82Å; Q522-G525 PolarHBondContact O-N 3.21Å; E523-G525 VanDerWaalsContact C-N 3.27Å; E523-G525 PolarHBondContact O-N 3.24Å; G525-L528 PolarHBondContact O-N 3.21Å; G525-Y529 VanDerWaalsContact O-CD2 3.31Å; G525-Y529 WeakPolarHBondContact O-CD2 3.29Å; G525-Y529 PolarHBondContact O-N 3.42Å |
| 526 | C | 95 | Very high | 89.9 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.4 | -44.1 | 175.7 | -69 | 0 | 0 | 0 | 0 | 111.9 | Q522 E523 L528 Y529 M530 L550 A575 A579 | Q522-C526 PolarHBondContact O-N 3.25Å; Q522-C526 PolarHBondContact O-SG 3Å; E523-C526 WeakPolarHBondContact O-CB 3.47Å; E523-C526 PolarHBondContact O-N 3.27Å; E523-C526 VanDerWaalsContact O-N 3.09Å; C526-L528 VanDerWaalsContact C-N 3.34Å; C526-L528 PolarHBondContact O-N 3.35Å; C526-Y529 PolarHBondContact O-N 3.5Å; C526-M530 PolarHBondContact O-N 2.9Å; C526-L550 HydrophobicContact CB-CD2 4.24Å; C526-L550 VanDerWaalsContact SG-CD2 3.58Å; C526-A575 HydrophobicContact CB-CB 3.61Å; C526-A579 WeakPolarHBondContact O-CB 3.47Å |
| 527 | M | 94 | Very high | 90.5 | Very high | 44 Ų | 44 | 20.4 Ų | 20.4 | 22% | 0.217 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.5 | -44.2 | 175.2 | -67 | 172 | 70.5 | 0 | 0 | 111.4 | F483 T486 E523 V524 Y529 M530 E531 A575 | F483-M527 HydrophobicContact CD2-CE 4.34Å; F483-M527 HydrophobicContact CE2-CE 4.13Å; T486-M527 HydrophobicContact CG2-CB 3.95Å; E523-M527 HydrophobicContact CG-SD 4.29Å; E523-M527 WeakPolarHBondContact O-CG 3.28Å; E523-M527 PolarHBondContact O-N 3.08Å; V524-M527 PolarHBondContact O-N 3.42Å; M527-Y529 VanDerWaalsContact C-N 3.34Å; M527-Y529 PolarHBondContact O-N 2.89Å; M527-M530 VanDerWaalsContact O-CB 3.28Å; M527-M530 WeakPolarHBondContact O-CB 3.29Å; M527-M530 PolarHBondContact O-N 3.33Å; M527-E531 WeakPolarHBondContact O-CG 3.35Å; M527-E531 PolarHBondContact O-N 2.93Å; M527-A575 HydrophobicContact CG-CB 4.47Å |
| 528 | L | 94.4 | Very high | 90.7 | Very high | 4 Ų | 4 | 20.6 Ų | 20.6 | 2% | 0.021 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.7 | -40.6 | 176.9 | -175.6 | 62.6 | 0 | 0 | 0 | 112 | L482 L485 T486 A489 L504 I505 V509 V524 G525 C526 M530 E531 L532 | L482-L528 HydrophobicContact CD2-CD2 4.22Å; L485-L528 HydrophobicContact CB-CD1 4.42Å; T486-L528 HydrophobicContact CG2-CB 4.36Å; A489-L528 HydrophobicContact CB-CD1 3.9Å; L504-L528 HydrophobicContact CD2-CD2 4.5Å; I505-L528 HydrophobicContact CD1-CD2 4.01Å; I505-L528 HydrophobicContact CD1-CG 4.44Å; V509-L528 HydrophobicContact CG2-CD2 4.07Å; V524-L528 WeakPolarHBondContact O-CB 3.49Å; V524-L528 PolarHBondContact O-N 3.09Å; G525-L528 PolarHBondContact O-N 3.21Å; C526-L528 VanDerWaalsContact C-N 3.34Å; C526-L528 PolarHBondContact O-N 3.35Å; L528-M530 VanDerWaalsContact C-N 3.33Å; L528-M530 PolarHBondContact O-N 3.18Å; L528-E531 PolarHBondContact O-N 3.21Å; L528-L532 HydrophobicContact CD1-CD1 4.03Å; L528-L532 HydrophobicContact CD1-CG 4.37Å; L528-L532 HydrophobicContact CG-CD1 3.95Å; L528-L532 WeakPolarHBondContact O-CB 3.36Å; L528-L532 WeakPolarHBondContact O-CG 3.48Å; L528-L532 PolarHBondContact O-N 3.36Å |
| 529 | Y | 95.5 | Very high | 90.9 | Very high | 2 Ų | 2 | 20.9 Ų | 20.9 | 1% | 0.008 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.4 | -38.5 | 173.9 | -65.2 | -34.5 | 0 | 0 | 0 | 112.9 | I505 V509 L510 L513 G525 C526 M527 L532 A533 I546 Q549 L550 | I505-Y529 HydrophobicContact CD1-CD1 4.44Å; I505-Y529 HydrophobicContact CD1-CE1 4.09Å; I505-Y529 HydrophobicContact CG2-CE1 4.23Å; V509-Y529 HydrophobicContact CG1-CE1 4Å; V509-Y529 WeakPolarHBondContact CG1-OH 3.49Å; L510-Y529 WeakPolarHBondContact CD2-OH 3.05Å; L513-Y529 HydrophobicContact CD1-CE2 4.03Å; G525-Y529 VanDerWaalsContact O-CD2 3.31Å; G525-Y529 WeakPolarHBondContact O-CD2 3.29Å; G525-Y529 PolarHBondContact O-N 3.42Å; C526-Y529 PolarHBondContact O-N 3.5Å; M527-Y529 VanDerWaalsContact C-N 3.34Å; M527-Y529 PolarHBondContact O-N 2.89Å; Y529-L532 CarbonylContact O-C 3.56Å; Y529-L532 PolarHBondContact O-N 3.47Å; Y529-A533 PolarHBondContact O-N 2.78Å; Y529-I546 HydrophobicContact CD1-CD1 3.97Å; Y529-I546 HydrophobicContact CD1-CG1 4.03Å; Y529-I546 HydrophobicContact CD1-CG2 3.94Å; Y529-I546 HydrophobicContact CD2-CG2 3.76Å; Y529-I546 HydrophobicContact CE1-CD1 4.02Å; Y529-I546 HydrophobicContact CE1-CG1 3.78Å; Y529-I546 HydrophobicContact CE1-CG2 4.33Å; Y529-I546 HydrophobicContact CE2-CG2 4.15Å; Y529-I546 HydrophobicContact CG-CG2 3.64Å; Y529-Q549 PolarHBondContact OH-OE1 3.28Å; Y529-L550 HydrophobicContact CD2-CD2 4.08Å; Y529-L550 HydrophobicContact CD2-CG 4.39Å |
| 530 | M | 94.6 | Very high | 90.9 | Very high | 41 Ų | 41 | 20.9 Ų | 20.9 | 20% | 0.202 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -58.6 | -48.8 | 175.5 | -173.4 | 177.7 | 64.1 | 0 | 0 | 111.1 | C526 M527 L528 L532 A533 A579 S582 | C526-M530 PolarHBondContact O-N 2.9Å; M527-M530 VanDerWaalsContact O-CB 3.28Å; M527-M530 WeakPolarHBondContact O-CB 3.29Å; M527-M530 PolarHBondContact O-N 3.33Å; L528-M530 VanDerWaalsContact C-N 3.33Å; L528-M530 PolarHBondContact O-N 3.18Å; M530-L532 VanDerWaalsContact C-N 3.32Å; M530-L532 PolarHBondContact O-N 3.49Å; M530-A533 WeakPolarHBondContact O-CB 3.48Å; M530-A533 PolarHBondContact O-N 2.91Å; M530-A579 HydrophobicContact CB-CB 3.97Å; M530-S582 WeakPolarHBondContact CG-OG 3.48Å |
| 531 | E | 93.7 | Very high | 91.2 | Very high | 46 Ų | 46 | 26 Ų | 26 | 22% | 0.215 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -70.2 | -28.2 | 179.8 | -63.5 | -58.6 | 141.1 | 0 | 0 | 112.8 | T486 A489 K490 M527 L528 A533 | T486-E531 WeakPolarHBondContact O-CG 3.49Å; A489-E531 HydrophobicContact CB-CB 3.83Å; K490-E531 WeakPolarHBondContact CA-O 3.42Å; K490-E531 HydrophobicContact CB-CB 4.31Å; K490-E531 WeakPolarHBondContact CB-OE2 3.38Å; K490-E531 VanDerWaalsContact CD-OE2 3.28Å; K490-E531 WeakPolarHBondContact CD-OE2 3.41Å; M527-E531 WeakPolarHBondContact O-CG 3.35Å; M527-E531 PolarHBondContact O-N 2.93Å; L528-E531 PolarHBondContact O-N 3.21Å; E531-A533 VanDerWaalsContact C-N 3.34Å |
| 532 | L | 93.6 | Very high | 91.4 | Very high | 5 Ų | 5 | 27.1 Ų | 27.1 | 3% | 0.026 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | 13 | 176.3 | -68.3 | 175.1 | 0 | 0 | 0 | 114 | A489 I501 I505 L528 Y529 M530 H534 W535 A536 | A489-L532 HydrophobicContact CB-CD2 3.77Å; A489-L532 HydrophobicContact CB-CG 3.96Å; I501-L532 HydrophobicContact CD1-CD2 4.27Å; I501-L532 HydrophobicContact CG2-CD1 3.84Å; I501-L532 HydrophobicContact CG2-CD2 3.92Å; I505-L532 HydrophobicContact CD1-CD1 3.65Å; I505-L532 HydrophobicContact CG1-CD1 3.99Å; L528-L532 HydrophobicContact CD1-CD1 4.03Å; L528-L532 HydrophobicContact CD1-CG 4.37Å; L528-L532 HydrophobicContact CG-CD1 3.95Å; L528-L532 WeakPolarHBondContact O-CB 3.36Å; L528-L532 WeakPolarHBondContact O-CG 3.48Å; L528-L532 PolarHBondContact O-N 3.36Å; Y529-L532 CarbonylContact O-C 3.56Å; Y529-L532 PolarHBondContact O-N 3.47Å; M530-L532 VanDerWaalsContact C-N 3.32Å; M530-L532 PolarHBondContact O-N 3.49Å; L532-H534 VanDerWaalsContact C-N 3.25Å; L532-H534 PolarHBondContact O-N 2.93Å; L532-H534 VanDerWaalsContact O-N 3.13Å; L532-W535 HydrophobicContact CB-CE3 4.28Å; L532-W535 HydrophobicContact CD2-CB 4.34Å; L532-W535 PolarHBondContact O-N 3.25Å; L532-A536 PolarHBondContact O-N 3.05Å |
| 533 | A | 92.7 | Very high | 91.5 | Very high | 6 Ų | 6 | 26.3 Ų | 26.3 | 5% | 0.05 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -53.8 | -39.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y529 M530 E531 A537 L583 V586 | Y529-A533 PolarHBondContact O-N 2.78Å; M530-A533 WeakPolarHBondContact O-CB 3.48Å; M530-A533 PolarHBondContact O-N 2.91Å; E531-A533 VanDerWaalsContact C-N 3.34Å; A533-A537 PolarHBondContact O-N 3.47Å; A533-L583 HydrophobicContact CB-CD2 4.02Å; A533-L583 HydrophobicContact CB-CG 4.32Å; A533-V586 HydrophobicContact CB-CG2 3.98Å |
| 534 | H | 89.1 | Confident | 91.6 | Very high | 64 Ų | 64 | 29.5 Ų | 29.5 | 30% | 0.296 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -73.1 | -30.6 | 179 | -169.2 | 78.6 | 0 | 0 | 0 | 113.2 | S493 P494 L532 A537 C538 V586 A589 | S493-H534 WeakPolarHBondContact OG-CB 3.41Å; P494-H534 VanDerWaalsContact CB-CD2 3.43Å; P494-H534 WeakPolarHBondContact CB-CD2 3.24Å; L532-H534 VanDerWaalsContact C-N 3.25Å; L532-H534 PolarHBondContact O-N 2.93Å; L532-H534 VanDerWaalsContact O-N 3.13Å; H534-A537 PolarHBondContact O-N 2.74Å; H534-C538 PolarHBondContact O-N 2.88Å; H534-V586 HydrophobicContact CB-CG1 4.39Å; H534-V586 HydrophobicContact CB-CG2 4.28Å; H534-A589 VanDerWaalsContact CE1-CB 3.42Å; H534-A589 WeakPolarHBondContact CE1-CB 3.41Å |
| 535 | W | 91.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -74.2 | -41.6 | 175.1 | 168.7 | 95 | 0 | 0 | 0 | 110 | S493 D496 I501 S502 I505 L532 A537 C538 H539 L542 I546 | S493-W535 WeakPolarHBondContact OG-CB 3.43Å; S493-W535 PolarHBondContact OG-N 3.25Å; D496-W535 PolarHBondContact OD2-NE1 3Å; D496-W535 VanDerWaalsContact OD2-NE1 3.15Å; I501-W535 HydrophobicContact CB-CZ2 4.47Å; I501-W535 HydrophobicContact CG2-CD2 3.72Å; I501-W535 HydrophobicContact CG2-CE3 4.21Å; I501-W535 HydrophobicContact CG2-CG 4.09Å; I501-W535 HydrophobicContact CG2-CH2 4.38Å; I501-W535 HydrophobicContact CG2-CZ2 3.92Å; S502-W535 WeakPolarHBondContact OG-CZ2 3.39Å; I505-W535 HydrophobicContact CB-CH2 3.93Å; I505-W535 HydrophobicContact CB-CZ3 4.28Å; I505-W535 HydrophobicContact CG1-CH2 3.98Å; I505-W535 HydrophobicContact CG1-CZ3 4.01Å; I505-W535 HydrophobicContact CG2-CH2 4.04Å; I505-W535 HydrophobicContact CG2-CZ3 4.13Å; L532-W535 HydrophobicContact CB-CE3 4.28Å; L532-W535 HydrophobicContact CD2-CB 4.34Å; L532-W535 PolarHBondContact O-N 3.25Å; W535-A537 PolarHBondContact O-N 3.48Å; W535-C538 WeakPolarHBondContact O-CA 3.35Å; W535-C538 WeakPolarHBondContact O-CB 3.21Å; W535-C538 PolarHBondContact O-N 2.93Å; W535-H539 AromaticContact CD1-CE1 3.56Å; W535-H539 AromaticContact CD1-ND1 3.77Å; W535-H539 AromaticContact CD2-ND1 3.73Å; W535-H539 AromaticContact CE2-CE1 3.52Å; W535-H539 AromaticContact CE2-ND1 3.38Å; W535-H539 AromaticContact CG-ND1 3.94Å; W535-H539 AromaticContact CZ2-CG 3.95Å; W535-H539 AromaticContact CZ2-ND1 3.8Å; W535-H539 AromaticContact NE1-CE1 3.13Å; W535-H539 PolarHBondContact NE1-CE1 3.13Å; W535-H539 AromaticContact NE1-ND1 3.45Å; W535-H539 PolarHBondContact NE1-ND1 2.96Å; W535-H539 AromaticContact NE1-NE2 3.92Å; W535-H539 PolarHBondContact O-N 3.48Å; W535-H539 PolarHBondContact O-ND1 2.88Å; W535-L542 HydrophobicContact CH2-CD1 3.59Å; W535-L542 HydrophobicContact CZ2-CD1 4.08Å; W535-I546 HydrophobicContact CZ3-CD1 4.38Å |
| 536 | A | 91.2 | Very high | 91.8 | Very high | 2 Ų | 2 | 34.2 Ų | 34.2 | 2% | 0.017 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.7 | -37.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | L532 C538 H539 R543 I546 L583 | L532-A536 PolarHBondContact O-N 3.05Å; A536-C538 PolarHBondContact O-N 2.86Å; A536-H539 CarbonylContact O-C 3.06Å; A536-H539 PolarHBondContact O-N 3.35Å; A536-R543 WeakPolarHBondContact O-CB 3.37Å; A536-I546 HydrophobicContact CB-CD1 4.25Å; A536-L583 HydrophobicContact CB-CD2 3.76Å |
| 537 | A | 87.1 | Confident | 91.8 | Very high | 12 Ų | 12 | 34.2 Ų | 34.2 | 10% | 0.099 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.8 | -30.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A533 H534 W535 V586 A589 | A533-A537 PolarHBondContact O-N 3.47Å; H534-A537 PolarHBondContact O-N 2.74Å; W535-A537 PolarHBondContact O-N 3.48Å; A537-V586 HydrophobicContact CB-CB 4.39Å; A537-V586 HydrophobicContact CB-CG1 3.62Å; A537-A589 HydrophobicContact CB-CB 3.64Å |
| 538 | C | 86 | Confident | 91.8 | Very high | 18 Ų | 18 | 35.2 Ų | 35.2 | 12% | 0.122 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -78.8 | -14 | 172.8 | -65.9 | 0 | 0 | 0 | 0 | 114.2 | H534 W535 A536 P540 A589 | H534-C538 PolarHBondContact O-N 2.88Å; W535-C538 WeakPolarHBondContact O-CA 3.35Å; W535-C538 WeakPolarHBondContact O-CB 3.21Å; W535-C538 PolarHBondContact O-N 2.93Å; A536-C538 PolarHBondContact O-N 2.86Å; C538-P540 WeakPolarHBondContact O-CD 3.35Å; C538-A589 WeakPolarHBondContact SG-CB 3.31Å |
| 539 | H | 88 | Confident | 91.8 | Very high | 54 Ų | 54 | 35.8 Ų | 35.8 | 25% | 0.25 | 17% | 0.172 | C | C | . | . | trans | -122.5 | 71.9 | -175.6 | -62.8 | 85.3 | 0 | 0 | 0 | 111.3 | W535 A536 Q541 L542 R543 | W535-H539 AromaticContact CD1-CE1 3.56Å; W535-H539 AromaticContact CD1-ND1 3.77Å; W535-H539 AromaticContact CD2-ND1 3.73Å; W535-H539 AromaticContact CE2-CE1 3.52Å; W535-H539 AromaticContact CE2-ND1 3.38Å; W535-H539 AromaticContact CG-ND1 3.94Å; W535-H539 AromaticContact CZ2-CG 3.95Å; W535-H539 AromaticContact CZ2-ND1 3.8Å; W535-H539 AromaticContact NE1-CE1 3.13Å; W535-H539 PolarHBondContact NE1-CE1 3.13Å; W535-H539 AromaticContact NE1-ND1 3.45Å; W535-H539 PolarHBondContact NE1-ND1 2.96Å; W535-H539 AromaticContact NE1-NE2 3.92Å; W535-H539 PolarHBondContact O-N 3.48Å; W535-H539 PolarHBondContact O-ND1 2.88Å; A536-H539 CarbonylContact O-C 3.06Å; A536-H539 PolarHBondContact O-N 3.35Å; H539-Q541 VanDerWaalsContact C-N 3.27Å; H539-Q541 PolarHBondContact O-N 3.02Å; H539-Q541 VanDerWaalsContact O-N 3.1Å; H539-L542 HydrophobicContact CB-CB 4.25Å; H539-L542 HydrophobicContact CB-CD1 4.31Å; H539-L542 PolarHBondContact O-N 3.19Å; H539-R543 PolarHBondContact O-N 3.3Å | ||
| 540 | P | 85.6 | Confident | 91.8 | Very high | 19 Ų | 19 | 35.7 Ų | 35.7 | 12% | 0.123 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60 | -30.5 | -167.2 | 22.5 | -34.4 | 0 | 0 | 0 | 114.5 | C538 R544 L610 | C538-P540 WeakPolarHBondContact O-CD 3.35Å; P540-R544 WeakPolarHBondContact O-CG 3.41Å; P540-R544 PolarHBondContact O-N 3.2Å; P540-L610 HydrophobicContact CG-CD2 4.07Å |
| 541 | Q | 88.7 | Confident | 91.9 | Very high | 151 Ų | 151 | 33.7 Ų | 33.7 | 71% | 0.706 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -68.4 | -45.2 | 176.3 | -67.2 | -176.1 | -2.5 | 0 | 0 | 112.2 | H539 R544 | H539-Q541 VanDerWaalsContact C-N 3.27Å; H539-Q541 PolarHBondContact O-N 3.02Å; H539-Q541 VanDerWaalsContact O-N 3.1Å; Q541-R544 PolarHBondContact O-N 3.09Å |
| 542 | L | 91.7 | Very high | 91.9 | Very high | 30 Ų | 30 | 37.3 Ų | 37.3 | 16% | 0.157 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69.6 | -38.5 | 176.5 | -64.8 | 176.6 | 0 | 0 | 0 | 110.6 | L510 W535 H539 R544 Q545 I546 | L510-L542 HydrophobicContact CD1-CD2 3.99Å; W535-L542 HydrophobicContact CH2-CD1 3.59Å; W535-L542 HydrophobicContact CZ2-CD1 4.08Å; H539-L542 HydrophobicContact CB-CB 4.25Å; H539-L542 HydrophobicContact CB-CD1 4.31Å; H539-L542 PolarHBondContact O-N 3.19Å; L542-R544 VanDerWaalsContact C-N 3.32Å; L542-R544 PolarHBondContact O-N 3.49Å; L542-Q545 WeakPolarHBondContact O-CB 3.41Å; L542-Q545 PolarHBondContact O-N 3.4Å; L542-I546 VanDerWaalsContact O-CG1 3.31Å; L542-I546 WeakPolarHBondContact O-CG1 3.48Å; L542-I546 PolarHBondContact O-N 3.12Å |
| 543 | R | 92.4 | Very high | 91.8 | Very high | 12 Ų | 12 | 37.7 Ų | 37.7 | 5% | 0.045 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -51.5 | -47.9 | 173.2 | -172 | -179.3 | 69.8 | -164.7 | 6.5 | 112.3 | A536 H539 Q545 I546 V547 L612 L614 E617 | A536-R543 WeakPolarHBondContact O-CB 3.37Å; H539-R543 PolarHBondContact O-N 3.3Å; R543-Q545 VanDerWaalsContact C-N 3.31Å; R543-Q545 PolarHBondContact O-N 3.44Å; R543-I546 PolarHBondContact O-N 3.26Å; R543-V547 HydrophobicContact CG-CG2 4.39Å; R543-V547 VanDerWaalsContact O-CG2 3.24Å; R543-V547 WeakPolarHBondContact O-CG2 3.31Å; R543-V547 PolarHBondContact O-N 3.19Å; R543-L612 PolarHBondContact NH1-O 3.06Å; R543-L612 PolarHBondContact NH2-O 3.14Å; R543-L614 HydrophobicContact CG-CD1 4.3Å; R543-E617 IonicContact CZ-OE2 3.63Å; R543-E617 IonicContact NE-OE2 2.85Å; R543-E617 IonicContact NH2-OE2 3.93Å; R543-E617 PolarHBondContact NH2-OE2 3.05Å |
| 544 | R | 92.5 | Very high | 91.9 | Very high | 104 Ų | 104 | 37.4 Ų | 37.4 | 39% | 0.392 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -59.3 | -41.2 | 177.9 | -72.8 | 171.1 | -176.8 | 171.5 | -1.6 | 112.4 | P540 Q541 L542 N548 E617 | P540-R544 WeakPolarHBondContact O-CG 3.41Å; P540-R544 PolarHBondContact O-N 3.2Å; Q541-R544 PolarHBondContact O-N 3.09Å; L542-R544 VanDerWaalsContact C-N 3.32Å; L542-R544 PolarHBondContact O-N 3.49Å; R544-N548 WeakPolarHBondContact O-CB 3.41Å; R544-N548 VanDerWaalsContact O-CG 3.29Å; R544-N548 PolarHBondContact O-N 3.49Å; R544-N548 PolarHBondContact O-ND2 2.94Å; R544-E617 IonicContact CZ-OE1 3.07Å; R544-E617 IonicContact NE-OE1 2.65Å; R544-E617 PolarHBondContact NE-OE1 2.96Å; R544-E617 IonicContact NH2-OE1 2.71Å; R544-E617 PolarHBondContact NH2-OE1 3.42Å |
| 545 | Q | 94.5 | Very high | 92 | Very high | 102 Ų | 102 | 37.2 Ų | 37.2 | 48% | 0.477 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -66.7 | -44 | 178.1 | -62.9 | 179.6 | 26 | 0 | 0 | 111.1 | L510 L542 R543 N548 Q549 | L510-Q545 HydrophobicContact CD1-CB 4.19Å; L510-Q545 HydrophobicContact CD2-CB 4.03Å; L542-Q545 WeakPolarHBondContact O-CB 3.41Å; L542-Q545 PolarHBondContact O-N 3.4Å; R543-Q545 VanDerWaalsContact C-N 3.31Å; R543-Q545 PolarHBondContact O-N 3.44Å; Q545-N548 PolarHBondContact O-N 3.22Å; Q545-Q549 WeakPolarHBondContact O-CB 3.39Å; Q545-Q549 PolarHBondContact O-N 3.36Å |
| 546 | I | 95.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.7 | -49.9 | 175.7 | -66.9 | 166.7 | 0 | 0 | 0 | 110.4 | I505 L510 Y529 W535 A536 L542 R543 N548 Q549 L550 L583 | I505-I546 HydrophobicContact CG2-CD1 4.34Å; L510-I546 HydrophobicContact CD2-CG1 4.06Å; Y529-I546 HydrophobicContact CD1-CD1 3.97Å; Y529-I546 HydrophobicContact CD1-CG1 4.03Å; Y529-I546 HydrophobicContact CD1-CG2 3.94Å; Y529-I546 HydrophobicContact CD2-CG2 3.76Å; Y529-I546 HydrophobicContact CE1-CD1 4.02Å; Y529-I546 HydrophobicContact CE1-CG1 3.78Å; Y529-I546 HydrophobicContact CE1-CG2 4.33Å; Y529-I546 HydrophobicContact CE2-CG2 4.15Å; Y529-I546 HydrophobicContact CG-CG2 3.64Å; W535-I546 HydrophobicContact CZ3-CD1 4.38Å; A536-I546 HydrophobicContact CB-CD1 4.25Å; L542-I546 VanDerWaalsContact O-CG1 3.31Å; L542-I546 WeakPolarHBondContact O-CG1 3.48Å; L542-I546 PolarHBondContact O-N 3.12Å; R543-I546 PolarHBondContact O-N 3.26Å; I546-N548 PolarHBondContact O-N 3.2Å; I546-Q549 PolarHBondContact O-N 3.39Å; I546-L550 HydrophobicContact CG2-CD1 3.88Å; I546-L550 HydrophobicContact CG2-CG 4.3Å; I546-L550 VanDerWaalsContact O-CG 3.3Å; I546-L550 WeakPolarHBondContact O-CG 3.42Å; I546-L550 PolarHBondContact O-N 3.42Å; I546-L583 HydrophobicContact CG2-CD1 4.12Å |
| 547 | V | 95.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.8 | -45.1 | -179.6 | 172.3 | 0 | 0 | 0 | 0 | 111.8 | R543 Q549 L550 I551 L580 L583 L614 | R543-V547 HydrophobicContact CG-CG2 4.39Å; R543-V547 VanDerWaalsContact O-CG2 3.24Å; R543-V547 WeakPolarHBondContact O-CG2 3.31Å; R543-V547 PolarHBondContact O-N 3.19Å; V547-Q549 VanDerWaalsContact C-N 3.33Å; V547-Q549 PolarHBondContact O-N 2.96Å; V547-L550 PolarHBondContact O-N 3.41Å; V547-I551 HydrophobicContact CG1-CD1 3.78Å; V547-I551 HydrophobicContact CG1-CG1 4.46Å; V547-I551 VanDerWaalsContact O-CG1 3.3Å; V547-I551 WeakPolarHBondContact O-CG1 3.43Å; V547-I551 PolarHBondContact O-N 2.9Å; V547-L580 HydrophobicContact CG1-CD2 4.31Å; V547-L583 HydrophobicContact CG2-CD1 4.4Å; V547-L614 HydrophobicContact CG2-CD1 3.27Å; V547-L614 HydrophobicContact CG2-CG 4.41Å |
| 548 | N | 94.6 | Very high | 91.4 | Very high | 66 Ų | 66 | 45.8 Ų | 45.8 | 35% | 0.353 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61 | -43.9 | 177.3 | -74.6 | -24.9 | 0 | 0 | 0 | 111.5 | R544 Q545 I546 I551 E552 | R544-N548 WeakPolarHBondContact O-CB 3.41Å; R544-N548 VanDerWaalsContact O-CG 3.29Å; R544-N548 PolarHBondContact O-N 3.49Å; R544-N548 PolarHBondContact O-ND2 2.94Å; Q545-N548 PolarHBondContact O-N 3.22Å; I546-N548 PolarHBondContact O-N 3.2Å; N548-I551 PolarHBondContact O-N 3.37Å; N548-E552 WeakPolarHBondContact O-CG 3.3Å; N548-E552 PolarHBondContact O-N 3.02Å |
| 549 | Q | 94.6 | Very high | 90.8 | Very high | 15 Ų | 15 | 47.7 Ų | 47.7 | 7% | 0.07 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.2 | -42.4 | 177.8 | -173.4 | 171.9 | 70.7 | 0 | 0 | 112.2 | L510 L513 Y529 Q545 I546 V547 I551 E552 I553 | L510-Q549 PolarHBondContact O-NE2 3.42Å; L513-Q549 VanDerWaalsContact CB-NE2 3.31Å; Y529-Q549 PolarHBondContact OH-OE1 3.28Å; Q545-Q549 WeakPolarHBondContact O-CB 3.39Å; Q545-Q549 PolarHBondContact O-N 3.36Å; I546-Q549 PolarHBondContact O-N 3.39Å; V547-Q549 VanDerWaalsContact C-N 3.33Å; V547-Q549 PolarHBondContact O-N 2.96Å; Q549-I551 PolarHBondContact O-N 2.91Å; Q549-E552 PolarHBondContact O-N 3.36Å; Q549-I553 HydrophobicContact CG-CD1 4.31Å; Q549-I553 VanDerWaalsContact O-CG1 3.31Å; Q549-I553 WeakPolarHBondContact O-CG1 3.06Å; Q549-I553 PolarHBondContact O-N 3.32Å |
| 550 | L | 95.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.7 | -44.1 | 175.5 | -71 | 173.5 | 0 | 0 | 0 | 111.8 | C526 Y529 I546 V547 I553 I554 A576 A579 L580 L583 | C526-L550 HydrophobicContact CB-CD2 4.24Å; C526-L550 VanDerWaalsContact SG-CD2 3.58Å; Y529-L550 HydrophobicContact CD2-CD2 4.08Å; Y529-L550 HydrophobicContact CD2-CG 4.39Å; I546-L550 HydrophobicContact CG2-CD1 3.88Å; I546-L550 HydrophobicContact CG2-CG 4.3Å; I546-L550 VanDerWaalsContact O-CG 3.3Å; I546-L550 WeakPolarHBondContact O-CG 3.42Å; I546-L550 PolarHBondContact O-N 3.42Å; V547-L550 PolarHBondContact O-N 3.41Å; L550-I553 PolarHBondContact O-N 2.81Å; L550-I554 WeakPolarHBondContact O-CG1 3.38Å; L550-I554 PolarHBondContact O-N 3.13Å; L550-I554 VanDerWaalsContact O-N 3.17Å; L550-A576 HydrophobicContact CD2-CB 3.98Å; L550-A579 HydrophobicContact CD1-CB 3.94Å; L550-A579 HydrophobicContact CD2-CB 3.91Å; L550-L580 HydrophobicContact CB-CD1 4.46Å; L550-L580 HydrophobicContact CB-CD2 3.92Å; L550-L580 HydrophobicContact CB-CG 3.99Å; L550-L580 HydrophobicContact CD1-CD2 3.78Å; L550-L580 HydrophobicContact CD1-CG 4.04Å; L550-L583 HydrophobicContact CD1-CD1 3.56Å |
| 551 | I | 95.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65.4 | -40.8 | 177.3 | -65.2 | 168.2 | 0 | 0 | 0 | 110.8 | V547 N548 Q549 I553 I554 E555 L580 D621 R625 V626 | V547-I551 HydrophobicContact CG1-CD1 3.78Å; V547-I551 HydrophobicContact CG1-CG1 4.46Å; V547-I551 VanDerWaalsContact O-CG1 3.3Å; V547-I551 WeakPolarHBondContact O-CG1 3.43Å; V547-I551 PolarHBondContact O-N 2.9Å; N548-I551 PolarHBondContact O-N 3.37Å; Q549-I551 PolarHBondContact O-N 2.91Å; I551-I553 VanDerWaalsContact C-N 3.32Å; I551-I553 PolarHBondContact O-N 3.49Å; I551-I554 PolarHBondContact O-N 3.26Å; I551-I554 VanDerWaalsContact O-N 3.15Å; I551-E555 HydrophobicContact CG2-CG 3.96Å; I551-E555 WeakPolarHBondContact O-CB 3.33Å; I551-E555 WeakPolarHBondContact O-CG 3.28Å; I551-E555 PolarHBondContact O-N 3.18Å; I551-L580 HydrophobicContact CG1-CD1 4.2Å; I551-D621 HydrophobicContact CD1-CB 3.92Å; I551-R625 HydrophobicContact CG2-CB 4.01Å; I551-R625 VanDerWaalsContact CG2-CZ 3.46Å; I551-V626 HydrophobicContact CG1-CG2 4Å; I551-V626 HydrophobicContact CG2-CG2 4.49Å |
| 552 | E | 93.3 | Very high | 89.6 | Confident | 122 Ų | 122 | 49 Ų | 49 | 57% | 0.57 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -61.6 | -38.9 | 175.9 | -76.2 | 177.3 | -172.2 | 0 | 0 | 112.6 | N548 Q549 I554 K556 | N548-E552 WeakPolarHBondContact O-CG 3.3Å; N548-E552 PolarHBondContact O-N 3.02Å; Q549-E552 PolarHBondContact O-N 3.36Å; E552-I554 VanDerWaalsContact C-N 3.3Å; E552-I554 PolarHBondContact O-N 3.16Å; E552-K556 VanDerWaalsContact O-CB 3.29Å; E552-K556 WeakPolarHBondContact O-CB 3.33Å; E552-K556 PolarHBondContact O-N 3.19Å; E552-K556 VanDerWaalsContact O-N 3.11Å |
| 553 | I | 92.9 | Very high | 88.9 | Confident | 13 Ų | 13 | 56.5 Ų | 56.5 | 7% | 0.067 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.3 | -40.2 | 174.6 | -69.4 | 166 | 0 | 0 | 0 | 110.6 | Q522 Q549 L550 I551 P557 A572 V573 A576 | Q522-I553 HydrophobicContact CB-CD1 4.44Å; Q549-I553 HydrophobicContact CG-CD1 4.31Å; Q549-I553 VanDerWaalsContact O-CG1 3.31Å; Q549-I553 WeakPolarHBondContact O-CG1 3.06Å; Q549-I553 PolarHBondContact O-N 3.32Å; L550-I553 PolarHBondContact O-N 2.81Å; I551-I553 VanDerWaalsContact C-N 3.32Å; I551-I553 PolarHBondContact O-N 3.49Å; I553-P557 WeakPolarHBondContact O-CD 3.17Å; I553-A572 HydrophobicContact CG2-CB 4.44Å; I553-V573 HydrophobicContact CG2-CG2 4.39Å; I553-A576 HydrophobicContact CB-CB 4.32Å; I553-A576 HydrophobicContact CG2-CB 3.92Å |
| 554 | I | 93.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -74 | -42.8 | 179.8 | -66 | 165 | 0 | 0 | 0 | 112.2 | L550 I551 E552 P557 V573 A576 L577 L580 V626 L633 | L550-I554 WeakPolarHBondContact O-CG1 3.38Å; L550-I554 PolarHBondContact O-N 3.13Å; L550-I554 VanDerWaalsContact O-N 3.17Å; I551-I554 PolarHBondContact O-N 3.26Å; I551-I554 VanDerWaalsContact O-N 3.15Å; E552-I554 VanDerWaalsContact C-N 3.3Å; E552-I554 PolarHBondContact O-N 3.16Å; I554-P557 WeakPolarHBondContact O-CD 3.39Å; I554-V573 HydrophobicContact CG1-CG1 4.38Å; I554-A576 HydrophobicContact CD1-CB 4Å; I554-A576 HydrophobicContact CG1-CB 3.72Å; I554-L577 HydrophobicContact CD1-CD2 3.9Å; I554-L577 HydrophobicContact CD1-CG 3.98Å; I554-L577 HydrophobicContact CG1-CG 4.33Å; I554-L580 HydrophobicContact CD1-CD1 3.46Å; I554-L580 VanDerWaalsContact CD1-CD1 3.46Å; I554-L580 HydrophobicContact CD1-CG 4.46Å; I554-V626 HydrophobicContact CD1-CG1 4.23Å; I554-L633 HydrophobicContact CG2-CD1 3.54Å |
| 555 | E | 91.3 | Very high | 87.9 | Confident | 59 Ų | 59 | 55.2 Ų | 55.2 | 28% | 0.276 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -73.3 | -36.9 | -174.7 | -76.9 | -177 | 144.4 | 0 | 0 | 112.9 | I551 A558 R625 | I551-E555 HydrophobicContact CG2-CG 3.96Å; I551-E555 WeakPolarHBondContact O-CB 3.33Å; I551-E555 WeakPolarHBondContact O-CG 3.28Å; I551-E555 PolarHBondContact O-N 3.18Å; E555-A558 WeakPolarHBondContact O-CB 3.38Å; E555-A558 PolarHBondContact O-N 3.08Å; E555-R625 VanDerWaalsContact OE1-CB 3.23Å; E555-R625 WeakPolarHBondContact OE1-CB 3.43Å; E555-R625 WeakPolarHBondContact OE1-CG 3.47Å; E555-R625 IonicContact OE1-CZ 3.68Å; E555-R625 IonicContact OE1-NE 3.36Å; E555-R625 PolarHBondContact OE1-NE 2.76Å; E555-R625 IonicContact OE1-NH2 2.72Å; E555-R625 IonicContact OE2-CZ 3.54Å; E555-R625 IonicContact OE2-NE 2.74Å; E555-R625 PolarHBondContact OE2-NE 3.33Å; E555-R625 IonicContact OE2-NH2 3.5Å; E555-R625 PolarHBondContact OE2-NH2 3.35Å |
| 556 | K | 87.9 | Confident | 87.1 | Confident | 156 Ų | 156 | 56.4 Ų | 56.4 | 68% | 0.678 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -42.9 | -174.4 | -177.1 | 179.4 | -178.6 | -177 | 0 | 114.1 | E552 | E552-K556 VanDerWaalsContact O-CB 3.29Å; E552-K556 WeakPolarHBondContact O-CB 3.33Å; E552-K556 PolarHBondContact O-N 3.19Å; E552-K556 VanDerWaalsContact O-N 3.11Å |
| 557 | P | 87.4 | Confident | 86.2 | Confident | 13 Ų | 13 | 59.4 Ų | 59.4 | 8% | 0.084 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -1 | 173.8 | 31.2 | -31.4 | 0 | 0 | 0 | 114 | I553 I554 G559 V560 L565 V573 W635 | I553-P557 WeakPolarHBondContact O-CD 3.17Å; I554-P557 WeakPolarHBondContact O-CD 3.39Å; P557-G559 PolarHBondContact O-N 2.84Å; P557-G559 VanDerWaalsContact O-N 3.15Å; P557-V560 WeakPolarHBondContact O-CB 3.19Å; P557-V560 PolarHBondContact O-N 3.12Å; P557-V560 VanDerWaalsContact O-N 3.08Å; P557-L565 HydrophobicContact CB-CD2 3.78Å; P557-V573 HydrophobicContact CG-CG2 3.45Å; P557-V573 VanDerWaalsContact CG-CG2 3.45Å; P557-W635 HydrophobicContact CB-CH2 4.44Å; P557-W635 HydrophobicContact CB-CZ2 4.15Å; P557-W635 HydrophobicContact CG-CH2 4.37Å; P557-W635 HydrophobicContact CG-CZ2 4.41Å |
| 558 | A | 82.1 | Confident | 85.4 | Confident | 25 Ų | 25 | 60.1 Ų | 60.1 | 21% | 0.207 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | 115.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | E555 L633 | E555-A558 WeakPolarHBondContact O-CB 3.38Å; E555-A558 PolarHBondContact O-N 3.08Å; A558-L633 HydrophobicContact CB-CD2 3.98Å; A558-L633 HydrophobicContact CB-CG 4.36Å |
| 559 | G | 74.4 | Confident | 84.9 | Confident | 59 Ų | 59 | 60 Ų | 60 | 61% | 0.608 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.4 | 2.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | P557 | P557-G559 PolarHBondContact O-N 2.84Å; P557-G559 VanDerWaalsContact O-N 3.15Å |
| 560 | V | 83.5 | Confident | 84.5 | Confident | 57 Ų | 57 | 62.2 Ų | 62.2 | 35% | 0.345 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -78.9 | 135.4 | 166.7 | 178.6 | 0 | 0 | 0 | 0 | 108.9 | P557 S562 S564 L565 | P557-V560 WeakPolarHBondContact O-CB 3.19Å; P557-V560 PolarHBondContact O-N 3.12Å; P557-V560 VanDerWaalsContact O-N 3.08Å; V560-S562 PolarHBondContact O-N 3.33Å; V560-S564 WeakPolarHBondContact CG1-OG 3.46Å; V560-L565 HydrophobicContact CB-CD2 4.01Å; V560-L565 HydrophobicContact CB-CG 4.45Å; V560-L565 HydrophobicContact CG1-CD2 3.7Å; V560-L565 HydrophobicContact CG1-CG 4.02Å |
| 561 | E | 78.2 | Confident | 84.1 | Confident | 151 Ų | 151 | 64.7 Ų | 64.7 | 71% | 0.706 | 35% | 0.349 | S | S | * | . | trans | -61.3 | 131.5 | 179.3 | -68.6 | -177.2 | 177.6 | 0 | 0 | 110.8 | Q563 S564 | E561-Q563 PolarHBondContact O-N 3.36Å; E561-S564 WeakPolarHBondContact O-CB 3.46Å; E561-S564 PolarHBondContact O-N 3.31Å; E561-S564 PolarHBondContact O-OG 3.08Å | ||
| 562 | S | 75 | Confident | 83.9 | Confident | 42 Ų | 42 | 64.7 Ų | 64.7 | 29% | 0.294 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -56.6 | -28.8 | -172.2 | -170.8 | 0 | 0 | 0 | 0 | 114.7 | V560 S564 L565 K570 W635 | V560-S562 PolarHBondContact O-N 3.33Å; S562-S564 VanDerWaalsContact C-N 3.27Å; S562-S564 PolarHBondContact O-N 3.47Å; S562-L565 PolarHBondContact O-N 3.24Å; S562-K570 WeakPolarHBondContact O-CE 3.31Å; S562-K570 PolarHBondContact O-NZ 3.39Å; S562-K570 PolarHBondContact OG-NZ 2.92Å; S562-W635 WeakPolarHBondContact OG-CB 3.41Å |
| 563 | Q | 77.4 | Confident | 83.9 | Confident | 189 Ų | 189 | 59 Ų | 59 | 88% | 0.883 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -72.1 | -21.2 | 177.9 | -63.7 | 179.4 | 4.8 | 0 | 0 | 113 | E561 | E561-Q563 PolarHBondContact O-N 3.36Š|
| 564 | S | 82.7 | Confident | 83.9 | Confident | 74 Ų | 74 | 58.4 Ų | 58.4 | 52% | 0.517 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -92.1 | -9.3 | 178.7 | 68.8 | 0 | 0 | 0 | 0 | 113.5 | V560 E561 S562 | V560-S564 WeakPolarHBondContact CG1-OG 3.46Å; E561-S564 WeakPolarHBondContact O-CB 3.46Å; E561-S564 PolarHBondContact O-N 3.31Å; E561-S564 PolarHBondContact O-OG 3.08Å; S562-S564 VanDerWaalsContact C-N 3.27Å; S562-S564 PolarHBondContact O-N 3.47Å |
| 565 | L | 81 | Confident | 83.9 | Confident | 14 Ų | 14 | 59 Ų | 59 | 7% | 0.073 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -81.8 | 134.6 | 177.9 | -68.3 | 172.9 | 0 | 0 | 0 | 110.9 | P557 V560 S562 K570 W635 | P557-L565 HydrophobicContact CB-CD2 3.78Å; V560-L565 HydrophobicContact CB-CD2 4.01Å; V560-L565 HydrophobicContact CB-CG 4.45Å; V560-L565 HydrophobicContact CG1-CD2 3.7Å; V560-L565 HydrophobicContact CG1-CG 4.02Å; S562-L565 PolarHBondContact O-N 3.24Å; L565-K570 HydrophobicContact CB-CG 4.32Å; L565-W635 HydrophobicContact CD1-CD2 3.69Å; L565-W635 HydrophobicContact CD1-CE3 4.17Å; L565-W635 HydrophobicContact CD1-CG 4.28Å; L565-W635 HydrophobicContact CD1-CH2 3.88Å; L565-W635 HydrophobicContact CD1-CZ2 3.33Å; L565-W635 HydrophobicContact CD1-CZ3 4.28Å |
| 566 | Q | 77.4 | Confident | 84.1 | Confident | 127 Ų | 127 | 56.1 Ų | 56.1 | 59% | 0.593 | 31% | 0.311 | S | S | * | . | trans | -69.6 | 146.1 | 170.5 | -62.7 | -160.2 | -13.6 | 0 | 0 | 110.5 | G568 Q569 K570 | Q566-G568 VanDerWaalsContact C-N 3.29Å; Q566-G568 PolarHBondContact O-N 2.96Å; Q566-Q569 HydrophobicContact CB-CG 4.21Å; Q566-Q569 WeakPolarHBondContact O-CB 3.25Å; Q566-Q569 PolarHBondContact O-N 3.26Å; Q566-K570 PolarHBondContact O-N 2.91Å | ||
| 567 | P | 75.5 | Confident | 84.5 | Confident | 66 Ų | 66 | 48.7 Ų | 48.7 | 43% | 0.429 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -49.2 | -47.4 | 178.5 | -27.2 | 32.6 | 0 | 0 | 0 | 113.1 | L418 Q569 K570 L571 | L418-P567 HydrophobicContact CD2-CB 3.89Å; L418-P567 HydrophobicContact CD2-CG 3.42Å; L418-P567 VanDerWaalsContact CD2-CG 3.42Å; L418-P567 HydrophobicContact CG-CG 4.4Å; P567-Q569 VanDerWaalsContact C-N 3.26Å; P567-Q569 PolarHBondContact O-N 2.83Å; P567-K570 WeakPolarHBondContact O-CB 3.07Å; P567-K570 PolarHBondContact O-N 3.41Å; P567-L571 PolarHBondContact O-N 3.45Å |
| 568 | G | 78.4 | Confident | 85 | Confident | 15 Ų | 15 | 48.5 Ų | 48.5 | 16% | 0.155 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.5 | -27.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | P519 Q566 K570 L571 A572 | P519-G568 WeakPolarHBondContact CB-O 3.41Å; Q566-G568 VanDerWaalsContact C-N 3.29Å; Q566-G568 PolarHBondContact O-N 2.96Å; G568-K570 VanDerWaalsContact C-N 3.29Å; G568-K570 PolarHBondContact O-N 3.29Å; G568-L571 PolarHBondContact O-N 3.08Å; G568-A572 WeakPolarHBondContact O-CB 3.44Å; G568-A572 PolarHBondContact O-N 3.43Å |
| 569 | Q | 85 | Confident | 85.7 | Confident | 64 Ų | 64 | 47.3 Ų | 47.3 | 30% | 0.299 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -67.1 | -34.9 | 174.4 | -68.8 | 178.1 | -54 | 0 | 0 | 111.2 | P519 Q566 P567 V573 | P519-Q569 HydrophobicContact CB-CB 4.46Å; P519-Q569 HydrophobicContact CB-CG 3.94Å; P519-Q569 VanDerWaalsContact CB-N 3.32Å; P519-Q569 HydrophobicContact CG-CB 4.37Å; P519-Q569 HydrophobicContact CG-CG 3.37Å; Q566-Q569 HydrophobicContact CB-CG 4.21Å; Q566-Q569 WeakPolarHBondContact O-CB 3.25Å; Q566-Q569 PolarHBondContact O-N 3.26Å; P567-Q569 VanDerWaalsContact C-N 3.26Å; P567-Q569 PolarHBondContact O-N 2.83Å; Q569-V573 WeakPolarHBondContact O-CG2 3.36Å; Q569-V573 PolarHBondContact O-N 3.33Å |
| 570 | K | 86.5 | Confident | 86.8 | Confident | 60 Ų | 60 | 44.5 Ų | 44.5 | 26% | 0.261 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -67.2 | -44.1 | 177.9 | -58.6 | -175.4 | 177.8 | 177.8 | 0 | 110.9 | S562 L565 Q566 P567 G568 V573 G574 W635 | S562-K570 WeakPolarHBondContact O-CE 3.31Å; S562-K570 PolarHBondContact O-NZ 3.39Å; S562-K570 PolarHBondContact OG-NZ 2.92Å; L565-K570 HydrophobicContact CB-CG 4.32Å; Q566-K570 PolarHBondContact O-N 2.91Å; P567-K570 WeakPolarHBondContact O-CB 3.07Å; P567-K570 PolarHBondContact O-N 3.41Å; G568-K570 VanDerWaalsContact C-N 3.29Å; G568-K570 PolarHBondContact O-N 3.29Å; K570-V573 PolarHBondContact O-N 2.96Å; K570-G574 PolarHBondContact O-N 3.46Å; K570-W635 HydrophobicContact CB-CE3 4.01Å; K570-W635 HydrophobicContact CB-CZ3 3.84Å; K570-W635 HydrophobicContact CD-CE3 4.09Å; K570-W635 HydrophobicContact CG-CE3 3.67Å; K570-W635 HydrophobicContact CG-CZ3 3.79Å |
| 571 | L | 86.9 | Confident | 87.4 | Confident | 53 Ų | 53 | 41.8 Ų | 41.8 | 28% | 0.277 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.7 | -45.7 | 176.7 | -61.9 | 176 | 0 | 0 | 0 | 112 | E523 P567 G568 V573 G574 A575 | E523-L571 HydrophobicContact CG-CB 4.29Å; E523-L571 WeakPolarHBondContact OE2-CB 3.38Å; P567-L571 PolarHBondContact O-N 3.45Å; G568-L571 PolarHBondContact O-N 3.08Å; L571-V573 VanDerWaalsContact C-N 3.28Å; L571-V573 PolarHBondContact O-N 3.4Å; L571-G574 PolarHBondContact O-N 3.09Å; L571-A575 WeakPolarHBondContact O-CB 3.36Å; L571-A575 PolarHBondContact O-N 3.46Å |
| 572 | A | 90.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.2 | -38.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | P519 Q522 E523 I553 G568 A576 | P519-A572 HydrophobicContact CB-CB 4.49Å; Q522-A572 HydrophobicContact CB-CB 3.87Å; E523-A572 HydrophobicContact CB-CB 4.39Å; I553-A572 HydrophobicContact CG2-CB 4.44Å; G568-A572 WeakPolarHBondContact O-CB 3.44Å; G568-A572 PolarHBondContact O-N 3.43Å; A572-A576 VanDerWaalsContact O-CB 3.3Å; A572-A576 WeakPolarHBondContact O-CB 3.42Å; A572-A576 PolarHBondContact O-N 2.89Å |
| 573 | V | 93.5 | Very high | 89.1 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -72.7 | -40.7 | 177.4 | 173.4 | 0 | 0 | 0 | 0 | 111.7 | I553 I554 P557 Q569 K570 L571 A576 L577 W635 V636 | I553-V573 HydrophobicContact CG2-CG2 4.39Å; I554-V573 HydrophobicContact CG1-CG1 4.38Å; P557-V573 HydrophobicContact CG-CG2 3.45Å; P557-V573 VanDerWaalsContact CG-CG2 3.45Å; Q569-V573 WeakPolarHBondContact O-CG2 3.36Å; Q569-V573 PolarHBondContact O-N 3.33Å; K570-V573 PolarHBondContact O-N 2.96Å; L571-V573 VanDerWaalsContact C-N 3.28Å; L571-V573 PolarHBondContact O-N 3.4Å; V573-A576 PolarHBondContact O-N 3.44Å; V573-L577 HydrophobicContact CG1-CD1 4.4Å; V573-L577 PolarHBondContact O-N 3.28Å; V573-W635 HydrophobicContact CB-CH2 3.91Å; V573-W635 HydrophobicContact CB-CZ3 4.22Å; V573-W635 HydrophobicContact CG1-CH2 3.88Å; V573-W635 HydrophobicContact CG1-CZ3 4.3Å; V573-W635 HydrophobicContact CG2-CH2 3.97Å; V573-V636 HydrophobicContact CG1-CG2 3.73Å |
| 574 | G | 93.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.7 | -52.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | K570 L571 A576 L577 S578 D640 | K570-G574 PolarHBondContact O-N 3.46Å; L571-G574 PolarHBondContact O-N 3.09Å; G574-A576 VanDerWaalsContact C-N 3.28Å; G574-A576 PolarHBondContact O-N 2.98Å; G574-L577 WeakPolarHBondContact O-CB 3.48Å; G574-L577 PolarHBondContact O-N 3.28Å; G574-L577 VanDerWaalsContact O-N 3.16Å; G574-S578 PolarHBondContact O-N 2.94Å; G574-S578 PolarHBondContact O-OG 3.45Å; G574-D640 VanDerWaalsContact CA-CG 3.45Å; G574-D640 WeakPolarHBondContact CA-OD2 3.41Å; G574-D640 WeakPolarHBondContact O-CB 3.38Å |
| 575 | A | 93.5 | Very high | 90.3 | Very high | 12 Ų | 12 | 22.8 Ų | 22.8 | 10% | 0.099 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.7 | -37.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E523 C526 M527 L571 S578 A579 | E523-A575 HydrophobicContact CG-CB 4.11Å; C526-A575 HydrophobicContact CB-CB 3.61Å; M527-A575 HydrophobicContact CG-CB 4.47Å; L571-A575 WeakPolarHBondContact O-CB 3.36Å; L571-A575 PolarHBondContact O-N 3.46Å; A575-S578 PolarHBondContact O-N 3.04Å; A575-A579 VanDerWaalsContact O-CB 3.29Å; A575-A579 WeakPolarHBondContact O-CB 3.48Å; A575-A579 PolarHBondContact O-N 3.2Å |
| 576 | A | 96.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.5 | -41.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L550 I553 I554 A572 V573 G574 A579 L580 | L550-A576 HydrophobicContact CD2-CB 3.98Å; I553-A576 HydrophobicContact CB-CB 4.32Å; I553-A576 HydrophobicContact CG2-CB 3.92Å; I554-A576 HydrophobicContact CD1-CB 4Å; I554-A576 HydrophobicContact CG1-CB 3.72Å; A572-A576 VanDerWaalsContact O-CB 3.3Å; A572-A576 WeakPolarHBondContact O-CB 3.42Å; A572-A576 PolarHBondContact O-N 2.89Å; V573-A576 PolarHBondContact O-N 3.44Å; G574-A576 VanDerWaalsContact C-N 3.28Å; G574-A576 PolarHBondContact O-N 2.98Å; A576-A579 PolarHBondContact O-N 3.21Å; A576-L580 WeakPolarHBondContact O-CG 3.34Å; A576-L580 PolarHBondContact O-N 3.25Å |
| 577 | L | 96.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.3 | -46.7 | 173.8 | -77.9 | 164.9 | 0 | 0 | 0 | 111.2 | I554 V573 G574 A579 L580 G581 V626 L630 V636 F644 | I554-L577 HydrophobicContact CD1-CD2 3.9Å; I554-L577 HydrophobicContact CD1-CG 3.98Å; I554-L577 HydrophobicContact CG1-CG 4.33Å; V573-L577 HydrophobicContact CG1-CD1 4.4Å; V573-L577 PolarHBondContact O-N 3.28Å; G574-L577 WeakPolarHBondContact O-CB 3.48Å; G574-L577 PolarHBondContact O-N 3.28Å; G574-L577 VanDerWaalsContact O-N 3.16Å; L577-A579 VanDerWaalsContact C-N 3.34Å; L577-A579 PolarHBondContact O-N 3.17Å; L577-L580 PolarHBondContact O-N 3.17Å; L577-G581 PolarHBondContact O-N 3.28Å; L577-V626 HydrophobicContact CD2-CG1 3.47Å; L577-V626 VanDerWaalsContact CD2-CG1 3.47Å; L577-L630 HydrophobicContact CD1-CD2 4.36Å; L577-L630 HydrophobicContact CD2-CD2 4.39Å; L577-V636 HydrophobicContact CD1-CG1 3.68Å; L577-V636 HydrophobicContact CD1-CG2 4.36Å; L577-F644 HydrophobicContact CB-CB 4.34Å; L577-F644 HydrophobicContact CD2-CB 4.42Å; L577-F644 HydrophobicContact CD2-CD1 4.49Å; L577-F644 HydrophobicContact CD2-CD2 4.49Å; L577-F644 HydrophobicContact CD2-CG 4.23Å |
| 578 | S | 96.3 | Very high | 90.6 | Very high | 8 Ų | 8 | 19.4 Ų | 19.4 | 6% | 0.056 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.3 | -41.8 | 177.5 | -69.9 | 0 | 0 | 0 | 0 | 111.8 | G574 A575 G581 S582 D640 H643 | G574-S578 PolarHBondContact O-N 2.94Å; G574-S578 PolarHBondContact O-OG 3.45Å; A575-S578 PolarHBondContact O-N 3.04Å; S578-G581 WeakPolarHBondContact O-CA 3.2Å; S578-G581 PolarHBondContact O-N 2.92Å; S578-S582 PolarHBondContact O-N 3.05Å; S578-D640 WeakPolarHBondContact OG-CA 3.43Å; S578-D640 PolarHBondContact OG-OD1 3.46Å; S578-H643 PolarHBondContact O-ND1 3.11Å |
| 579 | A | 97 | Very high | 90.2 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.7 | -44.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | C526 M530 L550 A575 A576 L577 G581 S582 L583 | C526-A579 WeakPolarHBondContact O-CB 3.47Å; M530-A579 HydrophobicContact CB-CB 3.97Å; L550-A579 HydrophobicContact CD1-CB 3.94Å; L550-A579 HydrophobicContact CD2-CB 3.91Å; A575-A579 VanDerWaalsContact O-CB 3.29Å; A575-A579 WeakPolarHBondContact O-CB 3.48Å; A575-A579 PolarHBondContact O-N 3.2Å; A576-A579 PolarHBondContact O-N 3.21Å; L577-A579 VanDerWaalsContact C-N 3.34Å; L577-A579 PolarHBondContact O-N 3.17Å; A579-G581 VanDerWaalsContact C-N 3.29Å; A579-G581 PolarHBondContact O-N 3.12Å; A579-S582 PolarHBondContact O-N 3.1Å; A579-L583 WeakPolarHBondContact O-CB 3.41Å; A579-L583 VanDerWaalsContact O-CG 3.31Å; A579-L583 WeakPolarHBondContact O-CG 3Å; A579-L583 PolarHBondContact O-N 2.89Å |
| 580 | L | 97.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.8 | -39.5 | 173 | -75.2 | 178.4 | 0 | 0 | 0 | 111.6 | V547 L550 I551 I554 A576 L577 L583 C584 L622 V626 F644 | V547-L580 HydrophobicContact CG1-CD2 4.31Å; L550-L580 HydrophobicContact CB-CD1 4.46Å; L550-L580 HydrophobicContact CB-CD2 3.92Å; L550-L580 HydrophobicContact CB-CG 3.99Å; L550-L580 HydrophobicContact CD1-CD2 3.78Å; L550-L580 HydrophobicContact CD1-CG 4.04Å; I551-L580 HydrophobicContact CG1-CD1 4.2Å; I554-L580 HydrophobicContact CD1-CD1 3.46Å; I554-L580 VanDerWaalsContact CD1-CD1 3.46Å; I554-L580 HydrophobicContact CD1-CG 4.46Å; A576-L580 WeakPolarHBondContact O-CG 3.34Å; A576-L580 PolarHBondContact O-N 3.25Å; L577-L580 PolarHBondContact O-N 3.17Å; L580-L583 PolarHBondContact O-N 3.45Å; L580-C584 WeakPolarHBondContact O-CB 3.47Å; L580-C584 PolarHBondContact O-N 3.23Å; L580-C584 PolarHBondContact O-SG 3.11Å; L580-L622 HydrophobicContact CD2-CD2 4.49Å; L580-V626 HydrophobicContact CD1-CG1 4.33Å; L580-V626 HydrophobicContact CD1-CG2 3.92Å; L580-F644 HydrophobicContact CB-CD2 4.04Å; L580-F644 HydrophobicContact CB-CE2 4.19Å |
| 581 | G | 96.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -57.6 | -52.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L577 S578 A579 L583 C584 A585 G647 | L577-G581 PolarHBondContact O-N 3.28Å; S578-G581 WeakPolarHBondContact O-CA 3.2Å; S578-G581 PolarHBondContact O-N 2.92Å; A579-G581 VanDerWaalsContact C-N 3.29Å; A579-G581 PolarHBondContact O-N 3.12Å; G581-L583 VanDerWaalsContact C-N 3.35Å; G581-L583 PolarHBondContact O-N 3.14Å; G581-C584 WeakPolarHBondContact O-CB 3.48Å; G581-C584 PolarHBondContact O-N 2.87Å; G581-C584 VanDerWaalsContact O-N 3.16Å; G581-A585 PolarHBondContact O-N 3.3Å; G581-G647 WeakPolarHBondContact O-CA 3.5Å |
| 582 | S | 95.1 | Very high | 86.3 | Confident | 22 Ų | 22 | 23 Ų | 23 | 15% | 0.154 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.6 | -41.9 | 177.6 | -73.5 | 0 | 0 | 0 | 0 | 112.7 | M530 S578 A579 C584 A585 V586 H643 | M530-S582 WeakPolarHBondContact CG-OG 3.48Å; S578-S582 PolarHBondContact O-N 3.05Å; A579-S582 PolarHBondContact O-N 3.1Å; S582-C584 VanDerWaalsContact C-N 3.35Å; S582-C584 PolarHBondContact O-N 3.11Å; S582-A585 WeakPolarHBondContact O-CB 3.37Å; S582-A585 PolarHBondContact O-N 3.12Å; S582-V586 PolarHBondContact O-N 3.34Å; S582-H643 PolarHBondContact OG-CE1 2.98Å |
| 583 | L | 94.4 | Very high | 84.1 | Confident | 5 Ų | 5 | 28.4 Ų | 28.4 | 3% | 0.026 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.9 | -38.9 | 174.9 | -75.3 | 167.7 | 0 | 0 | 0 | 112.3 | A533 A536 I546 V547 L550 A579 L580 G581 V586 L614 | A533-L583 HydrophobicContact CB-CD2 4.02Å; A533-L583 HydrophobicContact CB-CG 4.32Å; A536-L583 HydrophobicContact CB-CD2 3.76Å; I546-L583 HydrophobicContact CG2-CD1 4.12Å; V547-L583 HydrophobicContact CG2-CD1 4.4Å; L550-L583 HydrophobicContact CD1-CD1 3.56Å; A579-L583 WeakPolarHBondContact O-CB 3.41Å; A579-L583 VanDerWaalsContact O-CG 3.31Å; A579-L583 WeakPolarHBondContact O-CG 3Å; A579-L583 PolarHBondContact O-N 2.89Å; L580-L583 PolarHBondContact O-N 3.45Å; G581-L583 VanDerWaalsContact C-N 3.35Å; G581-L583 PolarHBondContact O-N 3.14Å; L583-V586 PolarHBondContact O-N 3.3Å; L583-L614 HydrophobicContact CB-CD1 3.97Å |
| 584 | C | 94 | Very high | 81.4 | Confident | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.014 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.7 | -37.5 | 174.2 | -71.2 | 0 | 0 | 0 | 0 | 112.4 | L580 G581 S582 V586 L614 I615 G647 I648 G651 | L580-C584 WeakPolarHBondContact O-CB 3.47Å; L580-C584 PolarHBondContact O-N 3.23Å; L580-C584 PolarHBondContact O-SG 3.11Å; G581-C584 WeakPolarHBondContact O-CB 3.48Å; G581-C584 PolarHBondContact O-N 2.87Å; G581-C584 VanDerWaalsContact O-N 3.16Å; S582-C584 VanDerWaalsContact C-N 3.35Å; S582-C584 PolarHBondContact O-N 3.11Å; C584-V586 VanDerWaalsContact C-N 3.25Å; C584-V586 PolarHBondContact O-N 2.9Å; C584-L614 HydrophobicContact CB-CD2 4.33Å; C584-L614 WeakPolarHBondContact SG-CD2 3.38Å; C584-I615 HydrophobicContact CB-CD1 4.2Å; C584-I615 HydrophobicContact CB-CG1 4.17Å; C584-G647 CarbonylContact C-O 3.57Å; C584-I648 HydrophobicContact CB-CG1 4.26Å; C584-G651 VanDerWaalsContact O-CA 3.3Å; C584-G651 WeakPolarHBondContact O-CA 3.34Å |
| 585 | A | 91.8 | Very high | 78.8 | Confident | 28 Ų | 28 | 39.9 Ų | 39.9 | 23% | 0.231 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.1 | -31.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | G581 S582 Y587 G647 R650 | G581-A585 PolarHBondContact O-N 3.3Å; S582-A585 WeakPolarHBondContact O-CB 3.37Å; S582-A585 PolarHBondContact O-N 3.12Å; A585-Y587 PolarHBondContact O-N 2.82Å; A585-Y587 VanDerWaalsContact O-N 3.07Å; A585-G647 PolarHBondContact N-O 2.81Å; A585-R650 HydrophobicContact CB-CB 4.08Å |
| 586 | V | 88.1 | Confident | 75.9 | Confident | 30 Ų | 30 | 46.3 Ų | 46.3 | 18% | 0.182 | 28% | 0.281 | C | S | . | . | trans | -81.5 | 82.3 | 173.4 | -171.2 | 0 | 0 | 0 | 0 | 110.3 | A533 H534 A537 S582 L583 C584 R588 A589 | A533-V586 HydrophobicContact CB-CG2 3.98Å; H534-V586 HydrophobicContact CB-CG1 4.39Å; H534-V586 HydrophobicContact CB-CG2 4.28Å; A537-V586 HydrophobicContact CB-CB 4.39Å; A537-V586 HydrophobicContact CB-CG1 3.62Å; S582-V586 PolarHBondContact O-N 3.34Å; L583-V586 PolarHBondContact O-N 3.3Å; C584-V586 VanDerWaalsContact C-N 3.25Å; C584-V586 PolarHBondContact O-N 2.9Å; V586-R588 PolarHBondContact O-N 3.15Å; V586-A589 HydrophobicContact CG1-CB 4.37Å | ||
| 587 | Y | 80.4 | Confident | 72.7 | Confident | 16 Ų | 16 | 49.6 Ų | 49.6 | 6% | 0.063 | 32% | 0.315 | C | S | . | . | trans | -65.4 | -38 | 178.4 | -170.9 | -108.8 | 0 | 0 | 0 | 112.4 | A585 A613 D616 C654 S655 | A585-Y587 PolarHBondContact O-N 2.82Å; A585-Y587 VanDerWaalsContact O-N 3.07Å; Y587-A613 HydrophobicContact CD1-CB 4.46Å; Y587-A613 HydrophobicContact CD2-CB 3.28Å; Y587-A613 HydrophobicContact CE1-CB 4.42Å; Y587-A613 HydrophobicContact CE2-CB 3.2Å; Y587-A613 HydrophobicContact CG-CB 3.92Å; Y587-A613 WeakPolarHBondContact O-CB 3.38Å; Y587-D616 VanDerWaalsContact CE2-OD2 3.32Å; Y587-D616 WeakPolarHBondContact CE2-OD2 3.42Å; Y587-D616 VanDerWaalsContact CZ-OD2 3.31Å; Y587-D616 PolarHBondContact OH-OD2 2.83Å; Y587-C654 HydrophobicContact CD1-CB 4.14Å; Y587-C654 HydrophobicContact CG-CB 3.92Å; Y587-S655 VanDerWaalsContact CE2-CB 3.45Å | ||
| 588 | R | 71.5 | Confident | 69.4 | Low | 91 Ų | 91 | 56.7 Ų | 56.7 | 34% | 0.343 | 35% | 0.353 | S | S | . | . | trans | -146.7 | 149.8 | 175.3 | -68.7 | -168.9 | -173.6 | 148.1 | 8.9 | 112.3 | V586 F665 | V586-R588 PolarHBondContact O-N 3.15Å; R588-F665 VanDerWaalsContact NH2-CG 3.29Å | ||
| 589 | A | 70.4 | Confident | 66.3 | Low | 19 Ų | 19 | 63.7 Ų | 63.7 | 16% | 0.157 | 40% | 0.395 | C | S | . | . | trans | -137 | 140.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | H534 A537 C538 V586 | H534-A589 VanDerWaalsContact CE1-CB 3.42Å; H534-A589 WeakPolarHBondContact CE1-CB 3.41Å; A537-A589 HydrophobicContact CB-CB 3.64Å; C538-A589 WeakPolarHBondContact SG-CB 3.31Å; V586-A589 HydrophobicContact CG1-CB 4.37Å | ||
| 590 | T | 63.7 | Low | 63 | Low | 74 Ų | 74 | 67.6 Ų | 67.6 | 45% | 0.454 | 42% | 0.422 | S | S | . | . | trans | -106.6 | 127.7 | 174.2 | 49.2 | 0 | 0 | 0 | 0 | 108.9 | T592 V663 | T590-T592 PolarHBondContact O-N 3.11Å; T590-V663 HydrophobicContact CG2-CG2 4.05Å | ||
| 591 | P | 59.3 | Low | 59.7 | Low | 99 Ų | 99 | 74.7 Ų | 74.7 | 64% | 0.643 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -62.3 | 123.6 | 171.2 | 24.2 | -29.7 | 0 | 0 | 0 | 109 | S593 | P591-S593 PolarHBondContact O-N 2.77Š|
| 592 | T | 54 | Low | 56.5 | Low | 76 Ų | 76 | 80.7 Ų | 80.7 | 47% | 0.466 | 50% | 0.497 | S | S | . | . | P | Polyproline II helix | trans | -73.1 | 122.4 | 176.1 | 52.5 | 0 | 0 | 0 | 0 | 109.9 | P494 T590 | P494-T592 HydrophobicContact CG-CG2 4.29Å; T590-T592 PolarHBondContact O-N 3.11Å |
| 593 | S | 42.6 | Very low | 53.3 | Low | 112 Ų | 112 | 84.2 Ų | 84.2 | 78% | 0.783 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 146.5 | 174 | 52.7 | 0 | 0 | 0 | 0 | 111.8 | P591 | P591-S593 PolarHBondContact O-N 2.77Š|
| 594 | T | 38 | Very low | 50.1 | Low | 114 Ų | 114 | 89.4 Ų | 89.4 | 70% | 0.699 | 56% | 0.556 | S | S | * | * | P | Polyproline II helix | trans | -54 | 152.3 | 179.2 | 38.1 | 0 | 0 | 0 | 0 | 113.3 | N596 | T594-N596 PolarHBondContact O-N 3.46Å; T594-N596 VanDerWaalsContact O-N 3.11Å |
| 595 | P | 37.4 | Very low | 47 | Very low | 130 Ų | 130 | 94.3 Ų | 94.3 | 84% | 0.844 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -71.9 | -3.3 | -172.5 | -14.3 | 29.2 | 0 | 0 | 0 | 115.8 | ||
| 596 | N | 34.2 | Very low | 43.9 | Very low | 146 Ų | 146 | 100.7 Ų | 100.7 | 78% | 0.781 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -102.6 | 108.4 | -178.3 | -71.9 | -17.8 | 0 | 0 | 0 | 109.2 | T594 D598 | T594-N596 PolarHBondContact O-N 3.46Å; T594-N596 VanDerWaalsContact O-N 3.11Å; N596-D598 PolarHBondContact O-N 3.44Å |
| 597 | G | 29 | Very low | 41.6 | Very low | 69 Ų | 69 | 101.1 Ų | 101.1 | 71% | 0.711 | 62% | 0.624 | S | S | * | * | trans | -57.8 | 123.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 598 | D | 26.6 | Very low | 39.8 | Very low | 150 Ų | 150 | 106.2 Ų | 106.2 | 80% | 0.802 | 65% | 0.652 | S | S | * | * | trans | -143.5 | 95.7 | 141.4 | -99.2 | -27.9 | 0 | 0 | 0 | 107.3 | N596 S600 | N596-D598 PolarHBondContact O-N 3.44Å; D598-S600 PolarHBondContact O-N 3.42Å | ||
| 599 | V | 32.6 | Very low | 38.5 | Very low | 154 Ų | 154 | 104.3 Ų | 104.3 | 93% | 0.933 | 65% | 0.653 | S | S | * | * | trans | -77.5 | 70.6 | 172.6 | -177 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 600 | S | 27.6 | Very low | 37.6 | Very low | 83 Ų | 83 | 107.8 Ų | 107.8 | 58% | 0.58 | 67% | 0.668 | S | S | * | * | trans | -172.9 | 98.4 | 167.6 | 47.6 | 0 | 0 | 0 | 0 | 109.9 | D598 | D598-S600 PolarHBondContact O-N 3.42Š| ||
| 601 | I | 27.8 | Very low | 37.3 | Very low | 149 Ų | 149 | 112.6 Ų | 112.6 | 76% | 0.764 | 68% | 0.678 | S | S | * | * | trans | 159.5 | 110.1 | 143.7 | -77.8 | 150 | 0 | 0 | 0 | 105.8 | S603 | I601-S603 PolarHBondContact O-N 2.87Š| ||
| 602 | P | 27.3 | Very low | 37.7 | Very low | 125 Ų | 125 | 111.6 Ų | 111.6 | 81% | 0.812 | 67% | 0.667 | S | S | * | * | trans | -67.1 | 103.9 | 165.6 | 27.6 | -27.6 | 0 | 0 | 0 | 106.6 | ||||
| 603 | S | 28.6 | Very low | 38.8 | Very low | 96 Ų | 96 | 108 Ų | 108 | 67% | 0.671 | 65% | 0.645 | S | S | * | * | trans | -60.2 | 125.3 | 174.6 | -155 | 0 | 0 | 0 | 0 | 108.3 | I601 C605 | I601-S603 PolarHBondContact O-N 2.87Å; S603-C605 PolarHBondContact O-N 3.37Å | ||
| 604 | P | 27.3 | Very low | 40.9 | Very low | 115 Ų | 115 | 102.9 Ų | 102.9 | 75% | 0.747 | 61% | 0.609 | S | S | * | * | trans | -81.6 | 64.1 | -172.6 | 34.3 | -34.7 | 0 | 0 | 0 | 110.2 | N606 | P604-N606 PolarHBondContact O-N 3.13Š| ||
| 605 | C | 27.9 | Very low | 43.3 | Very low | 104 Ų | 104 | 97.5 Ų | 97.5 | 70% | 0.703 | 58% | 0.576 | S | S | * | * | trans | -92 | 83.1 | 160.1 | -70.9 | 0 | 0 | 0 | 0 | 107.8 | S603 S607 | S603-C605 PolarHBondContact O-N 3.37Å; C605-S607 PolarHBondContact O-N 3.18Å | ||
| 606 | N | 28 | Very low | 45.6 | Very low | 162 Ų | 162 | 93.6 Ų | 93.6 | 87% | 0.866 | 55% | 0.548 | S | S | * | . | trans | -41.7 | 105.3 | 154.6 | -77.5 | -22.7 | 0 | 0 | 0 | 108.7 | P604 | P604-N606 PolarHBondContact O-N 3.13Š| ||
| 607 | S | 38.8 | Very low | 48.2 | Very low | 40 Ų | 40 | 89.3 Ų | 89.3 | 28% | 0.28 | 52% | 0.523 | S | S | . | . | trans | -155.5 | 99.4 | 161.8 | 78.9 | 0 | 0 | 0 | 0 | 111.7 | C605 S609 L610 | C605-S607 PolarHBondContact O-N 3.18Å; S607-S609 VanDerWaalsContact CB-OG 3.26Å; S607-S609 WeakPolarHBondContact CB-OG 3.3Å; S607-S609 PolarHBondContact O-N 3.26Å; S607-S609 PolarHBondContact OG-OG 3.36Å; S607-L610 PolarHBondContact O-N 2.68Å; S607-L610 VanDerWaalsContact O-N 3.14Å; S607-L610 WeakPolarHBondContact OG-CD1 3.45Å; S607-L610 WeakPolarHBondContact OG-CG 3.41Å | ||
| 608 | D | 43.2 | Very low | 51.2 | Low | 123 Ų | 123 | 86.8 Ų | 86.8 | 66% | 0.658 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -51.4 | -19.9 | 160.5 | -74.1 | -41.2 | 0 | 0 | 0 | 111.7 | L610 R611 | D608-L610 PolarHBondContact O-N 2.95Å; D608-R611 PolarHBondContact O-N 2.96Å |
| 609 | S | 44.8 | Very low | 54.4 | Low | 50 Ų | 50 | 80.3 Ų | 80.3 | 35% | 0.35 | 46% | 0.457 | S | S | . | . | G | 310 helix | trans | -65.8 | -28.6 | 176.2 | 66.8 | 0 | 0 | 0 | 0 | 115.1 | S607 R611 | S607-S609 VanDerWaalsContact CB-OG 3.26Å; S607-S609 WeakPolarHBondContact CB-OG 3.3Å; S607-S609 PolarHBondContact O-N 3.26Å; S607-S609 PolarHBondContact OG-OG 3.36Å; S609-R611 PolarHBondContact O-N 2.84Å |
| 610 | L | 50.4 | Low | 57.4 | Low | 92 Ų | 92 | 77.8 Ų | 77.8 | 48% | 0.482 | 44% | 0.435 | S | S | . | . | G | 310 helix | trans | -75 | -13.7 | 175 | -79.1 | 168.3 | 0 | 0 | 0 | 112.6 | P540 S607 D608 | P540-L610 HydrophobicContact CG-CD2 4.07Å; S607-L610 PolarHBondContact O-N 2.68Å; S607-L610 VanDerWaalsContact O-N 3.14Å; S607-L610 WeakPolarHBondContact OG-CD1 3.45Å; S607-L610 WeakPolarHBondContact OG-CG 3.41Å; D608-L610 PolarHBondContact O-N 2.95Å |
| 611 | R | 57.7 | Low | 60.6 | Low | 175 Ų | 175 | 76 Ų | 76 | 66% | 0.66 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -16 | -177.6 | -66.1 | -178.3 | 176.6 | 169 | -3.1 | 114.1 | D608 S609 A613 | D608-R611 PolarHBondContact O-N 2.96Å; S609-R611 PolarHBondContact O-N 2.84Å; R611-A613 PolarHBondContact O-N 3.43Å |
| 612 | L | 68.1 | Low | 63.8 | Low | 79 Ų | 79 | 68.9 Ų | 68.9 | 41% | 0.414 | 38% | 0.383 | S | S | . | . | trans | -80.4 | 115.5 | -178.5 | -76.3 | 162 | 0 | 0 | 0 | 110.8 | R543 D616 | R543-L612 PolarHBondContact NH1-O 3.06Å; R543-L612 PolarHBondContact NH2-O 3.14Å; L612-D616 HydrophobicContact CD2-CB 4.32Å | ||
| 613 | A | 77.8 | Confident | 67 | Low | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.008 | 34% | 0.344 | C | S | . | . | trans | -68.6 | 154.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y587 R611 I615 D616 E617 | Y587-A613 HydrophobicContact CD1-CB 4.46Å; Y587-A613 HydrophobicContact CD2-CB 3.28Å; Y587-A613 HydrophobicContact CE1-CB 4.42Å; Y587-A613 HydrophobicContact CE2-CB 3.2Å; Y587-A613 HydrophobicContact CG-CB 3.92Å; Y587-A613 WeakPolarHBondContact O-CB 3.38Å; R611-A613 PolarHBondContact O-N 3.43Å; A613-I615 VanDerWaalsContact C-N 3.26Å; A613-I615 PolarHBondContact O-N 3Å; A613-D616 PolarHBondContact O-N 3.37Å; A613-E617 PolarHBondContact O-N 2.85Å; A613-E617 VanDerWaalsContact O-N 3.08Å | ||
| 614 | L | 85.9 | Confident | 70.2 | Confident | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.016 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -56.3 | -40.4 | 176.2 | 178.1 | 138.6 | 0 | 0 | 0 | 112.7 | R543 V547 L583 C584 D616 E617 H618 L622 | R543-L614 HydrophobicContact CG-CD1 4.3Å; V547-L614 HydrophobicContact CG2-CD1 3.27Å; V547-L614 HydrophobicContact CG2-CG 4.41Å; L583-L614 HydrophobicContact CB-CD1 3.97Å; C584-L614 HydrophobicContact CB-CD2 4.33Å; C584-L614 WeakPolarHBondContact SG-CD2 3.38Å; L614-D616 PolarHBondContact O-N 3.48Å; L614-E617 PolarHBondContact O-N 3.24Å; L614-H618 WeakPolarHBondContact O-CB 3.4Å; L614-H618 PolarHBondContact O-N 3.38Å; L614-L622 HydrophobicContact CD2-CD1 3.86Å; L614-L622 HydrophobicContact CD2-CD2 4.41Å |
| 615 | I | 88.7 | Confident | 73.4 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.2 | -34.3 | 176.4 | -74.6 | 179.8 | 0 | 0 | 0 | 111.9 | C584 A613 W619 G651 L652 | C584-I615 HydrophobicContact CB-CD1 4.2Å; C584-I615 HydrophobicContact CB-CG1 4.17Å; A613-I615 VanDerWaalsContact C-N 3.26Å; A613-I615 PolarHBondContact O-N 3Å; I615-W619 HydrophobicContact CG2-CE3 3.86Å; I615-W619 HydrophobicContact CG2-CZ3 4.17Å; I615-W619 VanDerWaalsContact O-CB 3.27Å; I615-W619 WeakPolarHBondContact O-CB 3.27Å; I615-W619 PolarHBondContact O-N 3.02Å; I615-G651 VanDerWaalsContact CD1-C 3.47Å; I615-G651 VanDerWaalsContact CD1-CA 3.44Å; I615-L652 HydrophobicContact CG2-CD2 4.1Å |
| 616 | D | 86.4 | Confident | 76.6 | Confident | 49 Ų | 49 | 54.8 Ų | 54.8 | 26% | 0.262 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -82 | -31.8 | -179 | -64.8 | -41.7 | 0 | 0 | 0 | 112.3 | Y587 L612 A613 L614 R677 | Y587-D616 VanDerWaalsContact CE2-OD2 3.32Å; Y587-D616 WeakPolarHBondContact CE2-OD2 3.42Å; Y587-D616 VanDerWaalsContact CZ-OD2 3.31Å; Y587-D616 PolarHBondContact OH-OD2 2.83Å; L612-D616 HydrophobicContact CD2-CB 4.32Å; A613-D616 PolarHBondContact O-N 3.37Å; L614-D616 PolarHBondContact O-N 3.48Å; D616-R677 IonicContact OD1-CZ 2.76Å; D616-R677 IonicContact OD1-NH1 2.68Å; D616-R677 PolarHBondContact OD1-NH1 3.33Å; D616-R677 IonicContact OD1-NH2 3.65Å; D616-R677 PolarHBondContact OD1-NH2 3.3Å |
| 617 | E | 87.9 | Confident | 79.8 | Confident | 56 Ų | 56 | 47 Ų | 47 | 26% | 0.262 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -80.9 | -40.5 | -179.4 | -175.5 | 170.6 | -149.5 | 0 | 0 | 113.2 | R543 R544 A613 L614 | R543-E617 IonicContact CZ-OE2 3.63Å; R543-E617 IonicContact NE-OE2 2.85Å; R543-E617 IonicContact NH2-OE2 3.93Å; R543-E617 PolarHBondContact NH2-OE2 3.05Å; R544-E617 IonicContact CZ-OE1 3.07Å; R544-E617 IonicContact NE-OE1 2.65Å; R544-E617 PolarHBondContact NE-OE1 2.96Å; R544-E617 IonicContact NH2-OE1 2.71Å; R544-E617 PolarHBondContact NH2-OE1 3.42Å; A613-E617 PolarHBondContact O-N 2.85Å; A613-E617 VanDerWaalsContact O-N 3.08Å; L614-E617 PolarHBondContact O-N 3.24Å |
| 618 | H | 91.5 | Very high | 82.5 | Confident | 15 Ų | 15 | 49.6 Ų | 49.6 | 7% | 0.069 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -117.5 | 16.9 | -169.3 | -72.3 | -78.2 | 0 | 0 | 0 | 113.8 | L614 Q620 D621 L622 | L614-H618 WeakPolarHBondContact O-CB 3.4Å; L614-H618 PolarHBondContact O-N 3.38Å; H618-Q620 VanDerWaalsContact C-N 3.26Å; H618-Q620 PolarHBondContact O-N 2.96Å; H618-Q620 VanDerWaalsContact O-N 3.15Å; H618-D621 HydrophobicContact CB-CB 4.45Å; H618-D621 IonicContact CE1-OD2 4Å; H618-D621 IonicContact CG-OD2 3.96Å; H618-D621 IonicContact ND1-OD2 3.02Å; H618-D621 PolarHBondContact ND1-OD2 3.2Å; H618-D621 PolarHBondContact O-N 3.47Å; H618-L622 WeakPolarHBondContact O-CG 3.4Å; H618-L622 PolarHBondContact O-N 3.39Å |
| 619 | W | 94.2 | Very high | 84.8 | Confident | 15 Ų | 15 | 44.6 Ų | 44.6 | 6% | 0.057 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -49.2 | -46.6 | -177.6 | -174 | -108.2 | 0 | 0 | 0 | 113.3 | I615 D621 L622 V623 I648 L652 R677 Q680 I681 | I615-W619 HydrophobicContact CG2-CE3 3.86Å; I615-W619 HydrophobicContact CG2-CZ3 4.17Å; I615-W619 VanDerWaalsContact O-CB 3.27Å; I615-W619 WeakPolarHBondContact O-CB 3.27Å; I615-W619 PolarHBondContact O-N 3.02Å; W619-D621 VanDerWaalsContact C-N 3.35Å; W619-D621 PolarHBondContact O-N 2.79Å; W619-L622 PolarHBondContact O-N 2.89Å; W619-V623 HydrophobicContact CD2-CG2 4.24Å; W619-V623 HydrophobicContact CH2-CG2 4.43Å; W619-V623 HydrophobicContact CZ2-CG2 3.76Å; W619-V623 WeakPolarHBondContact O-CG2 3.31Å; W619-V623 PolarHBondContact O-N 3.26Å; W619-I648 HydrophobicContact CH2-CG2 4.28Å; W619-I648 HydrophobicContact CZ3-CG2 4.09Å; W619-L652 HydrophobicContact CH2-CD1 4.22Å; W619-L652 HydrophobicContact CH2-CD2 4.3Å; W619-L652 HydrophobicContact CZ3-CD1 4.47Å; W619-L652 HydrophobicContact CZ3-CD2 4.01Å; W619-L652 HydrophobicContact CZ3-CG 4.46Å; W619-R677 HydrophobicContact CD2-CG 4.02Å; W619-R677 VanDerWaalsContact CE2-CG 3.5Å; W619-R677 HydrophobicContact CE3-CG 4.49Å; W619-R677 HydrophobicContact CH2-CB 3.68Å; W619-R677 HydrophobicContact CH2-CG 4.09Å; W619-R677 VanDerWaalsContact CZ2-CA 3.5Å; W619-R677 HydrophobicContact CZ2-CB 3.37Å; W619-R677 HydrophobicContact CZ2-CG 3.57Å; W619-R677 WeakPolarHBondContact CZ2-O 3.46Å; W619-R677 HydrophobicContact CZ3-CB 4.44Å; W619-Q680 HydrophobicContact CZ2-CB 4.49Å; W619-I681 HydrophobicContact CH2-CB 4.32Å |
| 620 | Q | 94.8 | Very high | 87.1 | Confident | 101 Ų | 101 | 42.4 Ų | 42.4 | 47% | 0.472 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -67.7 | -34.5 | -178.3 | -67.4 | -59.4 | -36.2 | 0 | 0 | 112.5 | H618 N624 | H618-Q620 VanDerWaalsContact C-N 3.26Å; H618-Q620 PolarHBondContact O-N 2.96Å; H618-Q620 VanDerWaalsContact O-N 3.15Å; Q620-N624 WeakPolarHBondContact O-CB 3.49Å; Q620-N624 VanDerWaalsContact O-CG 3.3Å; Q620-N624 PolarHBondContact O-N 2.82Å; Q620-N624 PolarHBondContact O-ND2 3.44Å; Q620-N624 PolarHBondContact OE1-ND2 3.06Å |
| 621 | D | 94.6 | Very high | 89 | Confident | 45 Ų | 45 | 39.6 Ų | 39.6 | 24% | 0.241 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.3 | -47.4 | 174.9 | -67.2 | -48 | 0 | 0 | 0 | 110.4 | I551 H618 W619 V623 R625 V626 | I551-D621 HydrophobicContact CD1-CB 3.92Å; H618-D621 HydrophobicContact CB-CB 4.45Å; H618-D621 IonicContact CE1-OD2 4Å; H618-D621 IonicContact CG-OD2 3.96Å; H618-D621 IonicContact ND1-OD2 3.02Å; H618-D621 PolarHBondContact ND1-OD2 3.2Å; H618-D621 PolarHBondContact O-N 3.47Å; W619-D621 VanDerWaalsContact C-N 3.35Å; W619-D621 PolarHBondContact O-N 2.79Å; D621-V623 VanDerWaalsContact C-N 3.28Å; D621-V623 PolarHBondContact O-N 2.81Å; D621-R625 WeakPolarHBondContact O-CA 3.37Å; D621-R625 VanDerWaalsContact O-CB 3.22Å; D621-R625 WeakPolarHBondContact O-CB 3.49Å; D621-R625 PolarHBondContact O-N 3.45Å; D621-R625 VanDerWaalsContact OD1-CD 3.26Å; D621-R625 WeakPolarHBondContact OD1-CD 3.48Å; D621-R625 IonicContact OD1-NH1 3.44Å; D621-V626 PolarHBondContact O-N 3.48Å |
| 622 | L | 95.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | I | π-helix | trans | -58.8 | -39 | 179.6 | -65.6 | 169.5 | 0 | 0 | 0 | 112.3 | L580 L614 H618 W619 V626 A627 F644 | L580-L622 HydrophobicContact CD2-CD2 4.49Å; L614-L622 HydrophobicContact CD2-CD1 3.86Å; L614-L622 HydrophobicContact CD2-CD2 4.41Å; H618-L622 WeakPolarHBondContact O-CG 3.4Å; H618-L622 PolarHBondContact O-N 3.39Å; W619-L622 PolarHBondContact O-N 2.89Å; L622-V626 WeakPolarHBondContact O-CB 3.42Å; L622-A627 PolarHBondContact O-N 2.83Å; L622-F644 HydrophobicContact CD2-CE2 4.19Å |
| 623 | V | 95.7 | Very high | 91.5 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.012 | 16% | 0.16 | C | C | . | . | I | π-helix | trans | -77.9 | -58.5 | 177.7 | 176.6 | 0 | 0 | 0 | 0 | 110.9 | W619 D621 A627 Y628 | W619-V623 HydrophobicContact CD2-CG2 4.24Å; W619-V623 HydrophobicContact CH2-CG2 4.43Å; W619-V623 HydrophobicContact CZ2-CG2 3.76Å; W619-V623 WeakPolarHBondContact O-CG2 3.31Å; W619-V623 PolarHBondContact O-N 3.26Å; D621-V623 VanDerWaalsContact C-N 3.28Å; D621-V623 PolarHBondContact O-N 2.81Å; V623-A627 WeakPolarHBondContact O-CB 3.34Å; V623-A627 PolarHBondContact O-N 2.85Å; V623-Y628 HydrophobicContact CG1-CD1 4.28Å; V623-Y628 HydrophobicContact CG1-CD2 4.42Å; V623-Y628 HydrophobicContact CG1-CE1 3.72Å; V623-Y628 HydrophobicContact CG1-CE2 3.88Å; V623-Y628 VanDerWaalsContact CG1-CZ 3.5Å; V623-Y628 PolarHBondContact O-N 2.69Å |
| 624 | N | 94.9 | Very high | 91.8 | Very high | 74 Ų | 74 | 35.6 Ų | 35.6 | 40% | 0.396 | 16% | 0.164 | S | C | . | . | I | π-helix | trans | -77.4 | -34.7 | -167 | -59.9 | -41.5 | 0 | 0 | 0 | 113.2 | Q620 Y628 | Q620-N624 WeakPolarHBondContact O-CB 3.49Å; Q620-N624 VanDerWaalsContact O-CG 3.3Å; Q620-N624 PolarHBondContact O-N 2.82Å; Q620-N624 PolarHBondContact O-ND2 3.44Å; Q620-N624 PolarHBondContact OE1-ND2 3.06Å; N624-Y628 WeakPolarHBondContact OD1-CE2 3.35Å |
| 625 | R | 94.9 | Very high | 91.7 | Very high | 67 Ų | 67 | 37.4 Ų | 37.4 | 25% | 0.253 | 17% | 0.17 | S | C | . | . | I | π-helix | trans | -97 | -23.5 | -174.8 | -63 | 177.1 | 66.6 | -163.9 | -2.1 | 113 | I551 E555 D621 N629 | I551-R625 HydrophobicContact CG2-CB 4.01Å; I551-R625 VanDerWaalsContact CG2-CZ 3.46Å; E555-R625 VanDerWaalsContact OE1-CB 3.23Å; E555-R625 WeakPolarHBondContact OE1-CB 3.43Å; E555-R625 WeakPolarHBondContact OE1-CG 3.47Å; E555-R625 IonicContact OE1-CZ 3.68Å; E555-R625 IonicContact OE1-NE 3.36Å; E555-R625 PolarHBondContact OE1-NE 2.76Å; E555-R625 IonicContact OE1-NH2 2.72Å; E555-R625 IonicContact OE2-CZ 3.54Å; E555-R625 IonicContact OE2-NE 2.74Å; E555-R625 PolarHBondContact OE2-NE 3.33Å; E555-R625 IonicContact OE2-NH2 3.5Å; E555-R625 PolarHBondContact OE2-NH2 3.35Å; D621-R625 WeakPolarHBondContact O-CA 3.37Å; D621-R625 VanDerWaalsContact O-CB 3.22Å; D621-R625 WeakPolarHBondContact O-CB 3.49Å; D621-R625 PolarHBondContact O-N 3.45Å; D621-R625 VanDerWaalsContact OD1-CD 3.26Å; D621-R625 WeakPolarHBondContact OD1-CD 3.48Å; D621-R625 IonicContact OD1-NH1 3.44Å; R625-N629 PolarHBondContact O-ND2 3.43Å |
| 626 | V | 95.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 17% | 0.171 | C | C | . | . | I | π-helix | trans | -110 | -68.8 | 179.9 | -173.2 | 0 | 0 | 0 | 0 | 111.1 | I551 I554 L577 L580 D621 L622 Y628 N629 L630 F644 | I551-V626 HydrophobicContact CG1-CG2 4Å; I551-V626 HydrophobicContact CG2-CG2 4.49Å; I554-V626 HydrophobicContact CD1-CG1 4.23Å; L577-V626 HydrophobicContact CD2-CG1 3.47Å; L577-V626 VanDerWaalsContact CD2-CG1 3.47Å; L580-V626 HydrophobicContact CD1-CG1 4.33Å; L580-V626 HydrophobicContact CD1-CG2 3.92Å; D621-V626 PolarHBondContact O-N 3.48Å; L622-V626 WeakPolarHBondContact O-CB 3.42Å; V626-Y628 PolarHBondContact O-N 3.06Å; V626-N629 PolarHBondContact O-N 3.07Å; V626-L630 PolarHBondContact O-N 2.98Å; V626-F644 HydrophobicContact CB-CZ 4.08Å; V626-F644 HydrophobicContact CG1-CE1 4.06Å; V626-F644 HydrophobicContact CG1-CE2 3.93Å; V626-F644 HydrophobicContact CG1-CZ 3.63Å |
| 627 | A | 94.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -59.9 | -43 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L622 V623 N629 L630 F644 I681 | L622-A627 PolarHBondContact O-N 2.83Å; V623-A627 WeakPolarHBondContact O-CB 3.34Å; V623-A627 PolarHBondContact O-N 2.85Å; A627-N629 PolarHBondContact O-N 3.27Å; A627-L630 WeakPolarHBondContact O-CB 3.49Å; A627-L630 WeakPolarHBondContact O-CG 3.47Å; A627-L630 PolarHBondContact O-N 3.22Å; A627-F644 HydrophobicContact CB-CE1 4.34Å; A627-I681 HydrophobicContact CB-CD1 3.72Å |
| 628 | Y | 94.7 | Very high | 91.7 | Very high | 93 Ų | 93 | 38 Ų | 38 | 37% | 0.365 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -72.6 | -14.9 | 178.6 | -68.4 | -8 | 0 | 0 | 0 | 114.2 | V623 N624 V626 S683 V684 | V623-Y628 HydrophobicContact CG1-CD1 4.28Å; V623-Y628 HydrophobicContact CG1-CD2 4.42Å; V623-Y628 HydrophobicContact CG1-CE1 3.72Å; V623-Y628 HydrophobicContact CG1-CE2 3.88Å; V623-Y628 VanDerWaalsContact CG1-CZ 3.5Å; V623-Y628 PolarHBondContact O-N 2.69Å; N624-Y628 WeakPolarHBondContact OD1-CE2 3.35Å; V626-Y628 PolarHBondContact O-N 3.06Å; Y628-S683 WeakPolarHBondContact CE1-OG 3.37Å; Y628-S683 PolarHBondContact OH-OG 2.75Å; Y628-V684 HydrophobicContact CD1-CB 4.17Å |
| 629 | N | 92.9 | Very high | 91.7 | Very high | 19 Ų | 19 | 41 Ų | 41 | 10% | 0.102 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -86.9 | -10 | 172.1 | -83.1 | -39 | 0 | 0 | 0 | 112.7 | R625 V626 A627 P631 R632 L633 | R625-N629 PolarHBondContact O-ND2 3.43Å; V626-N629 PolarHBondContact O-N 3.07Å; A627-N629 PolarHBondContact O-N 3.27Å; N629-P631 VanDerWaalsContact C-CD 3.48Å; N629-R632 WeakPolarHBondContact O-CA 3.32Å; N629-R632 WeakPolarHBondContact O-CB 3.5Å; N629-R632 PolarHBondContact O-N 3.47Å; N629-R632 PolarHBondContact OD1-NH1 3.28Å; N629-L633 HydrophobicContact CB-CD1 4.4Å; N629-L633 PolarHBondContact O-N 3.21Å |
| 630 | L | 92.1 | Very high | 91.6 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.016 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -54.1 | -39.2 | -179.6 | -72.2 | 173.7 | 0 | 0 | 0 | 114.6 | L577 V626 A627 R632 L633 A634 A641 F645 Y714 | L577-L630 HydrophobicContact CD1-CD2 4.36Å; L577-L630 HydrophobicContact CD2-CD2 4.39Å; V626-L630 PolarHBondContact O-N 2.98Å; A627-L630 WeakPolarHBondContact O-CB 3.49Å; A627-L630 WeakPolarHBondContact O-CG 3.47Å; A627-L630 PolarHBondContact O-N 3.22Å; L630-R632 PolarHBondContact O-N 3.37Å; L630-L633 CarbonylContact O-C 3.57Å; L630-L633 VanDerWaalsContact O-C 3.23Å; L630-L633 WeakPolarHBondContact O-CA 3.41Å; L630-L633 PolarHBondContact O-N 3.05Å; L630-A634 PolarHBondContact O-N 3.06Å; L630-A634 VanDerWaalsContact O-N 3.16Å; L630-A641 HydrophobicContact CD2-CB 4.33Å; L630-F645 HydrophobicContact CD1-CE2 3.37Å; L630-F645 HydrophobicContact CD1-CZ 3.59Å; L630-Y714 HydrophobicContact CD1-CE2 4.27Å |
| 631 | P | 91.2 | Very high | 91.6 | Very high | 34 Ų | 34 | 36.8 Ų | 36.8 | 22% | 0.221 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -59.4 | -30.1 | 172.2 | -24.3 | 34.7 | 0 | 0 | 0 | 113.6 | N629 L633 V684 L705 W711 | N629-P631 VanDerWaalsContact C-CD 3.48Å; P631-L633 VanDerWaalsContact C-N 3.26Å; P631-V684 HydrophobicContact CG-CG2 3.77Å; P631-L705 HydrophobicContact CB-CD2 4.02Å; P631-L705 VanDerWaalsContact O-CD2 3.29Å; P631-L705 WeakPolarHBondContact O-CD2 3.18Å; P631-W711 HydrophobicContact CB-CH2 4.19Å; P631-W711 HydrophobicContact CG-CH2 3.88Å; P631-W711 HydrophobicContact CG-CZ3 4.39Å |
| 632 | R | 90.5 | Very high | 91.6 | Very high | 158 Ų | 158 | 36 Ų | 36 | 60% | 0.596 | 17% | 0.171 | S | C | * | . | G | 310 helix | trans | -81.7 | -8.9 | 175.2 | -58.8 | 176.8 | 175.1 | 169.2 | -5.6 | 113.2 | N629 L630 | N629-R632 WeakPolarHBondContact O-CA 3.32Å; N629-R632 WeakPolarHBondContact O-CB 3.5Å; N629-R632 PolarHBondContact O-N 3.47Å; N629-R632 PolarHBondContact OD1-NH1 3.28Å; L630-R632 PolarHBondContact O-N 3.37Å |
| 633 | L | 88.6 | Confident | 91.6 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -116.5 | 24.4 | -179.7 | -61.5 | 173.2 | 0 | 0 | 0 | 110.5 | I554 A558 N629 L630 P631 W635 V636 | I554-L633 HydrophobicContact CG2-CD1 3.54Å; A558-L633 HydrophobicContact CB-CD2 3.98Å; A558-L633 HydrophobicContact CB-CG 4.36Å; N629-L633 HydrophobicContact CB-CD1 4.4Å; N629-L633 PolarHBondContact O-N 3.21Å; L630-L633 CarbonylContact O-C 3.57Å; L630-L633 VanDerWaalsContact O-C 3.23Å; L630-L633 WeakPolarHBondContact O-CA 3.41Å; L630-L633 PolarHBondContact O-N 3.05Å; P631-L633 VanDerWaalsContact C-N 3.26Å; L633-W635 HydrophobicContact CD2-CH2 4.02Å; L633-W635 HydrophobicContact CD2-CZ2 3.44Å; L633-W635 VanDerWaalsContact CD2-CZ2 3.44Å; L633-W635 PolarHBondContact O-N 3.23Å; L633-V636 HydrophobicContact CB-CG2 3.87Å; L633-V636 VanDerWaalsContact O-CB 3.24Å; L633-V636 WeakPolarHBondContact O-CB 3.31Å; L633-V636 VanDerWaalsContact O-CG2 3.25Å; L633-V636 WeakPolarHBondContact O-CG2 3.33Å; L633-V636 PolarHBondContact O-N 3.44Å |
| 634 | A | 82.2 | Confident | 91.6 | Very high | 10 Ų | 10 | 38.7 Ų | 38.7 | 8% | 0.083 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -20.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L630 V636 T704 L705 | L630-A634 PolarHBondContact O-N 3.06Å; L630-A634 VanDerWaalsContact O-N 3.16Å; A634-V636 PolarHBondContact O-N 3.4Å; A634-T704 WeakPolarHBondContact CB-OG1 3.26Å; A634-T704 VanDerWaalsContact O-CB 3.3Å; A634-T704 WeakPolarHBondContact O-CB 3.32Å; A634-T704 WeakPolarHBondContact O-CG2 3.46Å; A634-T704 PolarHBondContact O-OG1 3.39Å; A634-L705 HydrophobicContact CB-CD1 4.25Å; A634-L705 HydrophobicContact CB-CD2 3.72Å; A634-L705 HydrophobicContact CB-CG 3.48Å; A634-L705 VanDerWaalsContact CB-CG 3.48Å |
| 635 | W | 84.8 | Confident | 91.7 | Very high | 42 Ų | 42 | 35.2 Ų | 35.2 | 16% | 0.159 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -9.7 | 172.7 | 51.7 | -102.1 | 0 | 0 | 0 | 114.8 | P557 S562 L565 K570 V573 L633 | P557-W635 HydrophobicContact CB-CH2 4.44Å; P557-W635 HydrophobicContact CB-CZ2 4.15Å; P557-W635 HydrophobicContact CG-CH2 4.37Å; P557-W635 HydrophobicContact CG-CZ2 4.41Å; S562-W635 WeakPolarHBondContact OG-CB 3.41Å; L565-W635 HydrophobicContact CD1-CD2 3.69Å; L565-W635 HydrophobicContact CD1-CE3 4.17Å; L565-W635 HydrophobicContact CD1-CG 4.28Å; L565-W635 HydrophobicContact CD1-CH2 3.88Å; L565-W635 HydrophobicContact CD1-CZ2 3.33Å; L565-W635 HydrophobicContact CD1-CZ3 4.28Å; K570-W635 HydrophobicContact CB-CE3 4.01Å; K570-W635 HydrophobicContact CB-CZ3 3.84Å; K570-W635 HydrophobicContact CD-CE3 4.09Å; K570-W635 HydrophobicContact CG-CE3 3.67Å; K570-W635 HydrophobicContact CG-CZ3 3.79Å; V573-W635 HydrophobicContact CB-CH2 3.91Å; V573-W635 HydrophobicContact CB-CZ3 4.22Å; V573-W635 HydrophobicContact CG1-CH2 3.88Å; V573-W635 HydrophobicContact CG1-CZ3 4.3Å; V573-W635 HydrophobicContact CG2-CH2 3.97Å; L633-W635 HydrophobicContact CD2-CH2 4.02Å; L633-W635 HydrophobicContact CD2-CZ2 3.44Å; L633-W635 VanDerWaalsContact CD2-CZ2 3.44Å; L633-W635 PolarHBondContact O-N 3.23Å |
| 636 | V | 86.9 | Confident | 91.8 | Very high | 4 Ų | 4 | 32.9 Ų | 32.9 | 2% | 0.024 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -66.3 | 138.7 | 174.8 | 171.8 | 0 | 0 | 0 | 0 | 109 | V573 L577 L633 A634 I638 D640 | V573-V636 HydrophobicContact CG1-CG2 3.73Å; L577-V636 HydrophobicContact CD1-CG1 3.68Å; L577-V636 HydrophobicContact CD1-CG2 4.36Å; L633-V636 HydrophobicContact CB-CG2 3.87Å; L633-V636 VanDerWaalsContact O-CB 3.24Å; L633-V636 WeakPolarHBondContact O-CB 3.31Å; L633-V636 VanDerWaalsContact O-CG2 3.25Å; L633-V636 WeakPolarHBondContact O-CG2 3.33Å; L633-V636 PolarHBondContact O-N 3.44Å; A634-V636 PolarHBondContact O-N 3.4Å; V636-I638 PolarHBondContact O-N 2.89Å; V636-D640 HydrophobicContact CG1-CB 4.23Å |
| 637 | P | 86.2 | Confident | 91.8 | Very high | 57 Ų | 57 | 33.1 Ų | 33.1 | 37% | 0.37 | 16% | 0.162 | S | C | . | . | trans | -52.5 | 131.5 | 172.8 | -25.8 | 34.9 | 0 | 0 | 0 | 112.1 | H639 D640 | P637-H639 PolarHBondContact O-N 3.46Å; P637-H639 VanDerWaalsContact O-N 3.16Å; P637-D640 PolarHBondContact O-N 3.46Å | ||
| 638 | I | 89.6 | Confident | 91.9 | Very high | 58 Ų | 58 | 33.1 Ų | 33.1 | 30% | 0.297 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -57 | -36.2 | -177.1 | -61.4 | 169.1 | 0 | 0 | 0 | 110.8 | V636 D640 A641 T642 V710 Y714 | V636-I638 PolarHBondContact O-N 2.89Å; I638-D640 PolarHBondContact O-N 2.76Å; I638-A641 PolarHBondContact O-N 3.16Å; I638-T642 HydrophobicContact CG2-CG2 3.98Å; I638-T642 WeakPolarHBondContact O-CG2 3.41Å; I638-T642 PolarHBondContact O-N 2.73Å; I638-T642 PolarHBondContact O-OG1 3.22Å; I638-V710 HydrophobicContact CD1-CG2 3.6Å; I638-V710 HydrophobicContact CG1-CG1 4.48Å; I638-V710 HydrophobicContact CG1-CG2 4.06Å; I638-Y714 HydrophobicContact CG2-CE1 4.11Å |
| 639 | H | 91.4 | Very high | 91.9 | Very high | 76 Ų | 76 | 28.7 Ų | 28.7 | 35% | 0.352 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -53.5 | -51 | 177.7 | 177.5 | -92 | 0 | 0 | 0 | 112.3 | P637 A641 T642 H643 | P637-H639 PolarHBondContact O-N 3.46Å; P637-H639 VanDerWaalsContact O-N 3.16Å; H639-A641 PolarHBondContact O-N 3.26Å; H639-T642 WeakPolarHBondContact CA-OG1 3.41Å; H639-T642 PolarHBondContact O-N 2.68Å; H639-T642 PolarHBondContact O-OG1 3.26Å; H639-H643 PolarHBondContact O-N 2.7Å |
| 640 | D | 93.1 | Very high | 91.9 | Very high | 28 Ų | 28 | 31.6 Ų | 31.6 | 15% | 0.15 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63 | -41.8 | -178.6 | -66.5 | -52.5 | 0 | 0 | 0 | 112.5 | G574 S578 V636 P637 I638 H643 F644 | G574-D640 VanDerWaalsContact CA-CG 3.45Å; G574-D640 WeakPolarHBondContact CA-OD2 3.41Å; G574-D640 WeakPolarHBondContact O-CB 3.38Å; S578-D640 WeakPolarHBondContact OG-CA 3.43Å; S578-D640 PolarHBondContact OG-OD1 3.46Å; V636-D640 HydrophobicContact CG1-CB 4.23Å; P637-D640 PolarHBondContact O-N 3.46Å; I638-D640 PolarHBondContact O-N 2.76Å; D640-H643 WeakPolarHBondContact O-CB 3.49Å; D640-H643 PolarHBondContact O-N 3.11Å; D640-F644 PolarHBondContact O-N 3.41Å |
| 641 | A | 93.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.1 | -43.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L630 I638 H639 H643 F644 F645 Y714 | L630-A641 HydrophobicContact CD2-CB 4.33Å; I638-A641 PolarHBondContact O-N 3.16Å; H639-A641 PolarHBondContact O-N 3.26Å; A641-H643 VanDerWaalsContact C-N 3.29Å; A641-H643 PolarHBondContact O-N 3.17Å; A641-F644 WeakPolarHBondContact O-CB 3.34Å; A641-F644 PolarHBondContact O-N 2.84Å; A641-F645 WeakPolarHBondContact O-CD2 2.94Å; A641-F645 PolarHBondContact O-N 3.32Å; A641-Y714 HydrophobicContact CB-CD1 4.32Å; A641-Y714 HydrophobicContact CB-CE1 3.43Å; A641-Y714 VanDerWaalsContact CB-CE1 3.43Å; A641-Y714 WeakPolarHBondContact CB-OH 3.41Å |
| 642 | T | 94.8 | Very high | 92.1 | Very high | 30 Ų | 30 | 29.9 Ų | 29.9 | 18% | 0.184 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.6 | -34.2 | 175.1 | 59 | 0 | 0 | 0 | 0 | 112.6 | I638 H639 F645 A646 D713 Y714 A717 | I638-T642 HydrophobicContact CG2-CG2 3.98Å; I638-T642 WeakPolarHBondContact O-CG2 3.41Å; I638-T642 PolarHBondContact O-N 2.73Å; I638-T642 PolarHBondContact O-OG1 3.22Å; H639-T642 WeakPolarHBondContact CA-OG1 3.41Å; H639-T642 PolarHBondContact O-N 2.68Å; H639-T642 PolarHBondContact O-OG1 3.26Å; T642-F645 PolarHBondContact O-N 3.19Å; T642-A646 WeakPolarHBondContact O-CB 3.5Å; T642-A646 PolarHBondContact O-N 3.26Å; T642-D713 HydrophobicContact CG2-CB 4.26Å; T642-Y714 HydrophobicContact CG2-CD1 3.82Å; T642-Y714 HydrophobicContact CG2-CE1 4.16Å; T642-A717 HydrophobicContact CG2-CB 4.29Å |
| 643 | H | 95 | Very high | 92.1 | Very high | 57 Ų | 57 | 22.4 Ų | 22.4 | 26% | 0.264 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -64.1 | -42.1 | 174.1 | -166.6 | -89.4 | 0 | 0 | 0 | 111.3 | S578 S582 H639 D640 A641 A646 G647 | S578-H643 PolarHBondContact O-ND1 3.11Å; S582-H643 PolarHBondContact OG-CE1 2.98Å; H639-H643 PolarHBondContact O-N 2.7Å; D640-H643 WeakPolarHBondContact O-CB 3.49Å; D640-H643 PolarHBondContact O-N 3.11Å; A641-H643 VanDerWaalsContact C-N 3.29Å; A641-H643 PolarHBondContact O-N 3.17Å; H643-A646 PolarHBondContact O-N 3.38Å; H643-G647 PolarHBondContact O-N 3.38Å |
| 644 | F | 96.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57.5 | -50.8 | 171 | 169.5 | -106.6 | 0 | 0 | 0 | 112.4 | L577 L580 L622 V626 A627 D640 A641 A646 G647 I648 | L577-F644 HydrophobicContact CB-CB 4.34Å; L577-F644 HydrophobicContact CD2-CB 4.42Å; L577-F644 HydrophobicContact CD2-CD1 4.49Å; L577-F644 HydrophobicContact CD2-CD2 4.49Å; L577-F644 HydrophobicContact CD2-CG 4.23Å; L580-F644 HydrophobicContact CB-CD2 4.04Å; L580-F644 HydrophobicContact CB-CE2 4.19Å; L622-F644 HydrophobicContact CD2-CE2 4.19Å; V626-F644 HydrophobicContact CB-CZ 4.08Å; V626-F644 HydrophobicContact CG1-CE1 4.06Å; V626-F644 HydrophobicContact CG1-CE2 3.93Å; V626-F644 HydrophobicContact CG1-CZ 3.63Å; A627-F644 HydrophobicContact CB-CE1 4.34Å; D640-F644 PolarHBondContact O-N 3.41Å; A641-F644 WeakPolarHBondContact O-CB 3.34Å; A641-F644 PolarHBondContact O-N 2.84Å; F644-A646 PolarHBondContact O-N 2.91Å; F644-G647 PolarHBondContact O-N 2.85Å; F644-I648 HydrophobicContact CD1-CD1 4.26Å; F644-I648 HydrophobicContact CD2-CD1 4.33Å; F644-I648 HydrophobicContact CE1-CD1 3.62Å; F644-I648 HydrophobicContact CE2-CD1 3.69Å; F644-I648 HydrophobicContact CE2-CG1 4.28Å; F644-I648 HydrophobicContact CZ-CD1 3.31Å; F644-I648 HydrophobicContact CZ-CG1 4.35Å; F644-I648 PolarHBondContact O-N 3.11Å |
| 645 | F | 96.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 0% | 0.004 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.4 | -43.3 | 177.7 | -82.1 | -77.9 | 0 | 0 | 0 | 112.4 | L630 A641 T642 G647 I648 G649 I681 V684 Y714 A717 L718 | L630-F645 HydrophobicContact CD1-CE2 3.37Å; L630-F645 HydrophobicContact CD1-CZ 3.59Å; A641-F645 WeakPolarHBondContact O-CD2 2.94Å; A641-F645 PolarHBondContact O-N 3.32Å; T642-F645 PolarHBondContact O-N 3.19Å; F645-G647 VanDerWaalsContact C-N 3.34Å; F645-G647 PolarHBondContact O-N 3.09Å; F645-I648 PolarHBondContact O-N 3.1Å; F645-G649 PolarHBondContact O-N 3.22Å; F645-I681 HydrophobicContact CD1-CG1 4.04Å; F645-I681 HydrophobicContact CE1-CD1 4.09Å; F645-I681 HydrophobicContact CE1-CG1 3.86Å; F645-V684 HydrophobicContact CZ-CG1 4.44Å; F645-Y714 AromaticContact CD2-CD1 3.94Å; F645-Y714 HydrophobicContact CD2-CD1 3.94Å; F645-Y714 HydrophobicContact CD2-CD2 4.3Å; F645-Y714 AromaticContact CD2-CG 3.74Å; F645-Y714 HydrophobicContact CD2-CG 3.74Å; F645-Y714 AromaticContact CE2-CD1 3.96Å; F645-Y714 HydrophobicContact CE2-CD1 3.96Å; F645-Y714 AromaticContact CE2-CD2 3.51Å; F645-Y714 HydrophobicContact CE2-CD2 3.51Å; F645-Y714 HydrophobicContact CE2-CE2 4.15Å; F645-Y714 AromaticContact CE2-CG 3.41Å; F645-Y714 HydrophobicContact CE2-CG 3.41Å; F645-Y714 VanDerWaalsContact CE2-CG 3.41Å; F645-Y714 HydrophobicContact CZ-CD2 4.01Å; F645-Y714 HydrophobicContact CZ-CG 4.11Å; F645-A717 HydrophobicContact CB-CB 4.15Å; F645-L718 HydrophobicContact CB-CD2 4.42Å; F645-L718 HydrophobicContact CB-CG 4.15Å; F645-L718 HydrophobicContact CD1-CD1 3.7Å; F645-L718 HydrophobicContact CD1-CD2 4.21Å; F645-L718 HydrophobicContact CD1-CG 3.82Å; F645-L718 HydrophobicContact CE1-CD1 4.23Å; F645-L718 HydrophobicContact CG-CG 4.43Å; F645-L718 VanDerWaalsContact O-CD2 3.26Å; F645-L718 WeakPolarHBondContact O-CD2 3.29Å |
| 646 | A | 96.8 | Very high | 92.6 | Very high | 19 Ų | 19 | 21.7 Ų | 21.7 | 16% | 0.157 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.6 | -39.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | T642 H643 F644 G649 R650 T721 | T642-A646 WeakPolarHBondContact O-CB 3.5Å; T642-A646 PolarHBondContact O-N 3.26Å; H643-A646 PolarHBondContact O-N 3.38Å; F644-A646 PolarHBondContact O-N 2.91Å; A646-G649 PolarHBondContact O-N 3.26Å; A646-R650 WeakPolarHBondContact O-CG 3.36Å; A646-R650 PolarHBondContact O-N 3.45Å; A646-T721 HydrophobicContact CB-CG2 3.98Å; A646-T721 WeakPolarHBondContact O-CG2 3.46Å |
| 647 | G | 95.2 | Very high | 92.2 | Very high | 4 Ų | 4 | 21.7 Ų | 21.7 | 4% | 0.041 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60 | -47.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | G581 C584 A585 H643 F644 F645 G649 R650 G651 | G581-G647 WeakPolarHBondContact O-CA 3.5Å; C584-G647 CarbonylContact C-O 3.57Å; A585-G647 PolarHBondContact N-O 2.81Å; H643-G647 PolarHBondContact O-N 3.38Å; F644-G647 PolarHBondContact O-N 2.85Å; F645-G647 VanDerWaalsContact C-N 3.34Å; F645-G647 PolarHBondContact O-N 3.09Å; G647-G649 VanDerWaalsContact C-N 3.33Å; G647-G649 PolarHBondContact O-N 3.11Å; G647-R650 PolarHBondContact O-N 2.8Å; G647-G651 PolarHBondContact O-N 3.31Å; G647-G651 VanDerWaalsContact O-N 3.1Å |
| 648 | I | 96 | Very high | 91.2 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -57.9 | -47.8 | 171.5 | -71.3 | 177 | 0 | 0 | 0 | 110.5 | C584 W619 F644 F645 R650 G651 L652 I681 L718 | C584-I648 HydrophobicContact CB-CG1 4.26Å; W619-I648 HydrophobicContact CH2-CG2 4.28Å; W619-I648 HydrophobicContact CZ3-CG2 4.09Å; F644-I648 HydrophobicContact CD1-CD1 4.26Å; F644-I648 HydrophobicContact CD2-CD1 4.33Å; F644-I648 HydrophobicContact CE1-CD1 3.62Å; F644-I648 HydrophobicContact CE2-CD1 3.69Å; F644-I648 HydrophobicContact CE2-CG1 4.28Å; F644-I648 HydrophobicContact CZ-CD1 3.31Å; F644-I648 HydrophobicContact CZ-CG1 4.35Å; F644-I648 PolarHBondContact O-N 3.11Å; F645-I648 PolarHBondContact O-N 3.1Å; I648-R650 PolarHBondContact O-N 3.38Å; I648-G651 PolarHBondContact O-N 3.01Å; I648-L652 HydrophobicContact CG2-CD1 3.84Å; I648-L652 HydrophobicContact CG2-CG 4.15Å; I648-L652 WeakPolarHBondContact O-CG 3.19Å; I648-L652 PolarHBondContact O-N 3.28Å; I648-I681 HydrophobicContact CD1-CD1 3.74Å; I648-I681 HydrophobicContact CD1-CG1 4.23Å; I648-I681 HydrophobicContact CG2-CG1 4.34Å; I648-L718 HydrophobicContact CG2-CD2 4.5Å |
| 649 | G | 95.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.9 | -46 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F645 A646 G647 L652 M653 T721 | F645-G649 PolarHBondContact O-N 3.22Å; A646-G649 PolarHBondContact O-N 3.26Å; G647-G649 VanDerWaalsContact C-N 3.33Å; G647-G649 PolarHBondContact O-N 3.11Å; G649-L652 PolarHBondContact O-N 2.9Å; G649-M653 WeakPolarHBondContact O-CG 3.31Å; G649-M653 PolarHBondContact O-N 3.14Å; G649-T721 WeakPolarHBondContact CA-OG1 3.24Å |
| 650 | R | 93.8 | Very high | 87.7 | Confident | 80 Ų | 80 | 22 Ų | 22 | 30% | 0.302 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -60.9 | -45.5 | 174.8 | -70.8 | 174.8 | -167.3 | -153 | -2.4 | 112.7 | A585 A646 G647 I648 M653 C654 T721 D934 | A585-R650 HydrophobicContact CB-CB 4.08Å; A646-R650 WeakPolarHBondContact O-CG 3.36Å; A646-R650 PolarHBondContact O-N 3.45Å; G647-R650 PolarHBondContact O-N 2.8Å; I648-R650 PolarHBondContact O-N 3.38Å; R650-M653 PolarHBondContact O-N 3.2Å; R650-C654 PolarHBondContact O-N 3.32Å; R650-C654 PolarHBondContact O-SG 3.13Å; R650-C654 VanDerWaalsContact O-SG 3.41Å; R650-T721 HydrophobicContact CG-CG2 4.06Å; R650-D934 IonicContact CZ-OD1 3.94Å; R650-D934 IonicContact CZ-OD2 2.65Å; R650-D934 IonicContact NH1-OD1 2.68Å; R650-D934 PolarHBondContact NH1-OD1 3.23Å; R650-D934 IonicContact NH1-OD2 3.18Å; R650-D934 PolarHBondContact NH1-OD2 2.8Å; R650-D934 IonicContact NH2-OD1 3.77Å; R650-D934 PolarHBondContact NH2-OD1 3.35Å; R650-D934 IonicContact NH2-OD2 2.9Å; R650-D934 PolarHBondContact NH2-OD2 3.26Å |
| 651 | G | 92 | Very high | 85.5 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65.3 | -40.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | C584 I615 G647 I648 M653 C654 S655 | C584-G651 VanDerWaalsContact O-CA 3.3Å; C584-G651 WeakPolarHBondContact O-CA 3.34Å; I615-G651 VanDerWaalsContact CD1-C 3.47Å; I615-G651 VanDerWaalsContact CD1-CA 3.44Å; G647-G651 PolarHBondContact O-N 3.31Å; G647-G651 VanDerWaalsContact O-N 3.1Å; I648-G651 PolarHBondContact O-N 3.01Å; G651-M653 VanDerWaalsContact C-N 3.34Å; G651-M653 PolarHBondContact O-N 3.01Å; G651-C654 PolarHBondContact O-N 3.08Å; G651-S655 PolarHBondContact O-N 3.07Å; G651-S655 VanDerWaalsContact O-N 3.12Å |
| 652 | L | 93.7 | Very high | 83.3 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.2 | -44.3 | 171.9 | -72.8 | 177 | 0 | 0 | 0 | 111.1 | I615 W619 I648 G649 C654 S655 V656 F674 R677 V678 F722 | I615-L652 HydrophobicContact CG2-CD2 4.1Å; W619-L652 HydrophobicContact CH2-CD1 4.22Å; W619-L652 HydrophobicContact CH2-CD2 4.3Å; W619-L652 HydrophobicContact CZ3-CD1 4.47Å; W619-L652 HydrophobicContact CZ3-CD2 4.01Å; W619-L652 HydrophobicContact CZ3-CG 4.46Å; I648-L652 HydrophobicContact CG2-CD1 3.84Å; I648-L652 HydrophobicContact CG2-CG 4.15Å; I648-L652 WeakPolarHBondContact O-CG 3.19Å; I648-L652 PolarHBondContact O-N 3.28Å; G649-L652 PolarHBondContact O-N 2.9Å; L652-C654 VanDerWaalsContact C-N 3.34Å; L652-C654 PolarHBondContact O-N 3.24Å; L652-S655 PolarHBondContact O-N 3.08Å; L652-S655 PolarHBondContact O-OG 2.9Å; L652-V656 PolarHBondContact O-N 3.17Å; L652-F674 HydrophobicContact CB-CD2 4.19Å; L652-F674 HydrophobicContact CB-CE2 3.83Å; L652-R677 HydrophobicContact CD2-CB 4.18Å; L652-V678 HydrophobicContact CD1-CG2 4.49Å; L652-F722 HydrophobicContact CB-CE1 4.45Å; L652-F722 HydrophobicContact CD1-CZ 4.3Å |
| 653 | M | 91.8 | Very high | 81.4 | Confident | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.8 | -41.1 | 176.9 | -72 | -41.9 | -47.2 | 0 | 0 | 112.6 | G649 R650 G651 S655 V656 F674 T721 F722 L725 R728 | G649-M653 WeakPolarHBondContact O-CG 3.31Å; G649-M653 PolarHBondContact O-N 3.14Å; R650-M653 PolarHBondContact O-N 3.2Å; G651-M653 VanDerWaalsContact C-N 3.34Å; G651-M653 PolarHBondContact O-N 3.01Å; M653-S655 PolarHBondContact O-N 3.46Å; M653-V656 HydrophobicContact CE-CG2 3.8Å; M653-V656 WeakPolarHBondContact O-CG2 3.35Å; M653-V656 PolarHBondContact O-N 2.86Å; M653-F674 HydrophobicContact SD-CE2 4.19Å; M653-F674 HydrophobicContact SD-CZ 4.1Å; M653-T721 WeakPolarHBondContact CG-O 3.3Å; M653-F722 HydrophobicContact CG-CD1 3.77Å; M653-F722 HydrophobicContact CG-CE1 4.38Å; M653-F722 HydrophobicContact SD-CB 4.2Å; M653-F722 HydrophobicContact SD-CD1 3.44Å; M653-F722 WeakPolarHBondContact SD-CD1 3.39Å; M653-F722 HydrophobicContact SD-CE1 4.14Å; M653-F722 HydrophobicContact SD-CG 4.13Å; M653-L725 HydrophobicContact CE-CB 3.85Å; M653-L725 HydrophobicContact CE-CD1 3.7Å; M653-L725 HydrophobicContact CE-CG 4.41Å; M653-L725 HydrophobicContact SD-CB 4.32Å; M653-L725 HydrophobicContact SD-CD1 4.21Å; M653-R728 HydrophobicContact CE-CB 4.18Å; M653-R728 HydrophobicContact CE-CG 4.34Å; M653-R728 WeakPolarHBondContact O-CD 3.24Å |
| 654 | C | 88.3 | Confident | 79.6 | Confident | 38 Ų | 38 | 36 Ų | 36 | 26% | 0.257 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.1 | -31.5 | 174.6 | -74.1 | 0 | 0 | 0 | 0 | 112.7 | Y587 R650 G651 L652 | Y587-C654 HydrophobicContact CD1-CB 4.14Å; Y587-C654 HydrophobicContact CG-CB 3.92Å; R650-C654 PolarHBondContact O-N 3.32Å; R650-C654 PolarHBondContact O-SG 3.13Å; R650-C654 VanDerWaalsContact O-SG 3.41Å; G651-C654 PolarHBondContact O-N 3.08Å; L652-C654 VanDerWaalsContact C-N 3.34Å; L652-C654 PolarHBondContact O-N 3.24Å |
| 655 | S | 88.1 | Confident | 78.4 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -75.6 | -24 | -176.6 | 76.6 | 0 | 0 | 0 | 0 | 115 | Y587 G651 L652 M653 F665 S670 | Y587-S655 VanDerWaalsContact CE2-CB 3.45Å; G651-S655 PolarHBondContact O-N 3.07Å; G651-S655 VanDerWaalsContact O-N 3.12Å; L652-S655 PolarHBondContact O-N 3.08Å; L652-S655 PolarHBondContact O-OG 2.9Å; M653-S655 PolarHBondContact O-N 3.46Å; S655-F665 WeakPolarHBondContact O-CE2 3.32Å; S655-S670 WeakPolarHBondContact O-CB 3.42Å; S655-S670 PolarHBondContact O-OG 2.7Å |
| 656 | V | 88.9 | Confident | 77.6 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -95 | -10.5 | -175.3 | -63.8 | 0 | 0 | 0 | 0 | 115.1 | L652 M653 R671 F674 L725 R728 L729 | L652-V656 PolarHBondContact O-N 3.17Å; M653-V656 HydrophobicContact CE-CG2 3.8Å; M653-V656 WeakPolarHBondContact O-CG2 3.35Å; M653-V656 PolarHBondContact O-N 2.86Å; V656-R671 HydrophobicContact CB-CG 4.07Å; V656-R671 HydrophobicContact CG1-CG 4.21Å; V656-R671 PolarHBondContact O-NE 3.12Å; V656-R671 PolarHBondContact O-NH2 2.62Å; V656-F674 HydrophobicContact CG1-CB 3.83Å; V656-F674 HydrophobicContact CG1-CD2 3.36Å; V656-F674 HydrophobicContact CG1-CE2 4.02Å; V656-F674 HydrophobicContact CG1-CG 3.73Å; V656-F674 HydrophobicContact CG2-CE2 4.48Å; V656-L725 HydrophobicContact CG2-CD1 4.44Å; V656-R728 HydrophobicContact CG2-CB 4.48Å; V656-L729 HydrophobicContact CB-CD2 4.4Å |
| 657 | G | 80 | Confident | 77.2 | Confident | 5 Ų | 5 | 40.7 Ų | 40.7 | 5% | 0.052 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -89 | 151 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | F665 R728 | G657-F665 WeakPolarHBondContact O-CE1 3.31Å; G657-F665 WeakPolarHBondContact O-CZ 3.37Å; G657-R728 WeakPolarHBondContact CA-O 3.49Å |
| 658 | T | 64.6 | Low | 76.9 | Confident | 86 Ų | 86 | 44.4 Ų | 44.4 | 53% | 0.528 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -86.5 | 108.1 | 169.4 | 50 | 0 | 0 | 0 | 0 | 109.6 | P667 M752 | T658-P667 HydrophobicContact CG2-CG 3.84Å; T658-M752 HydrophobicContact CG2-CE 4.34Å; T658-M752 HydrophobicContact CG2-CG 4.44Å; T658-M752 HydrophobicContact CG2-SD 3.91Å |
| 659 | G | 55.6 | Low | 76.5 | Confident | 53 Ų | 53 | 47.9 Ų | 47.9 | 55% | 0.546 | 32% | 0.317 | S | S | . | . | trans | 83.6 | 66.1 | 161.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 660 | G | 50.7 | Low | 76.3 | Confident | 58 Ų | 58 | 48.4 Ų | 48.4 | 60% | 0.598 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -104.9 | 126.5 | 159.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 661 | G | 48 | Very low | 76.2 | Confident | 68 Ų | 68 | 44.8 Ų | 44.8 | 70% | 0.701 | 31% | 0.307 | S | S | * | . | S | Bend | trans | 92.4 | 22.1 | 171 | 0 | 0 | 0 | 0 | 0 | 117.5 | V663 | G661-V663 PolarHBondContact O-N 3.16Š|
| 662 | G | 47.8 | Very low | 76.3 | Confident | 84 Ų | 84 | 52.1 Ų | 52.1 | 87% | 0.866 | 34% | 0.341 | S | S | * | . | S | Bend | trans | 82.8 | 5.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 663 | V | 53.5 | Low | 76.3 | Confident | 67 Ų | 67 | 53.5 Ų | 53.5 | 41% | 0.406 | 35% | 0.353 | S | S | . | . | trans | -123.6 | 113.4 | 176.4 | -174.2 | 0 | 0 | 0 | 0 | 109.6 | T590 G661 F665 | T590-V663 HydrophobicContact CG2-CG2 4.05Å; G661-V663 PolarHBondContact O-N 3.16Å; V663-F665 PolarHBondContact O-N 3.02Å | ||
| 664 | E | 57.7 | Low | 76.5 | Confident | 191 Ų | 191 | 53.5 Ų | 53.5 | 89% | 0.893 | 35% | 0.353 | S | S | * | . | trans | -62.4 | 133.4 | 171 | -77.1 | -172.9 | 161.5 | 0 | 0 | 110.2 | ||||
| 665 | F | 73 | Confident | 76.8 | Confident | 38 Ų | 38 | 52.1 Ų | 52.1 | 17% | 0.167 | 34% | 0.344 | C | S | . | . | trans | -143.9 | 155.9 | 172.6 | 74.1 | -84.9 | 0 | 0 | 0 | 110.8 | R588 S655 G657 V663 P667 | R588-F665 VanDerWaalsContact NH2-CG 3.29Å; S655-F665 WeakPolarHBondContact O-CE2 3.32Å; G657-F665 WeakPolarHBondContact O-CE1 3.31Å; G657-F665 WeakPolarHBondContact O-CZ 3.37Å; V663-F665 PolarHBondContact O-N 3.02Å; F665-P667 HydrophobicContact CE2-CB 4.01Å; F665-P667 VanDerWaalsContact O-CD 3.28Å; F665-P667 WeakPolarHBondContact O-CD 3.4Å | ||
| 666 | D | 79.8 | Confident | 77.2 | Confident | 79 Ų | 79 | 57.9 Ų | 57.9 | 42% | 0.422 | 37% | 0.372 | S | S | . | . | trans | -84 | 111.2 | 176.8 | -173.7 | -7.4 | 0 | 0 | 0 | 110.3 | R668 | D666-R668 VanDerWaalsContact C-N 3.28Å; D666-R668 VanDerWaalsContact CG-NE 3.29Å; D666-R668 PolarHBondContact O-N 2.94Å; D666-R668 VanDerWaalsContact OD1-CB 3.23Å; D666-R668 WeakPolarHBondContact OD1-CB 3.33Å; D666-R668 WeakPolarHBondContact OD1-CG 3.35Å; D666-R668 IonicContact OD1-CZ 2.8Å; D666-R668 PolarHBondContact OD1-N 2.94Å; D666-R668 IonicContact OD1-NE 3.3Å; D666-R668 PolarHBondContact OD1-NE 3.11Å; D666-R668 IonicContact OD2-CZ 3.29Å; D666-R668 IonicContact OD2-NE 3.13Å; D666-R668 PolarHBondContact OD2-NE 3.32Å; D666-R668 IonicContact OD2-NH2 3.38Å; D666-R668 PolarHBondContact OD2-NH2 3.42Å | ||
| 667 | P | 87.4 | Confident | 77.6 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 38% | 0.378 | C | S | . | . | trans | -82.5 | -2.5 | -178.8 | 36.1 | -37.6 | 0 | 0 | 0 | 112.8 | T658 F665 A669 S670 R671 M752 | T658-P667 HydrophobicContact CG2-CG 3.84Å; F665-P667 HydrophobicContact CE2-CB 4.01Å; F665-P667 VanDerWaalsContact O-CD 3.28Å; F665-P667 WeakPolarHBondContact O-CD 3.4Å; P667-A669 PolarHBondContact O-N 2.88Å; P667-S670 CarbonylContact O-C 3.6Å; P667-S670 WeakPolarHBondContact O-CB 3.42Å; P667-S670 PolarHBondContact O-N 3.2Å; P667-S670 VanDerWaalsContact O-N 3.1Å; P667-R671 HydrophobicContact CB-CG 4.35Å; P667-R671 VanDerWaalsContact CG-CZ 3.43Å; P667-R671 WeakPolarHBondContact O-CB 3.5Å; P667-R671 WeakPolarHBondContact O-CG 3.47Å; P667-R671 PolarHBondContact O-N 3.07Å; P667-M752 HydrophobicContact CG-SD 3.75Å | ||
| 668 | R | 88.7 | Confident | 78.4 | Confident | 83 Ų | 83 | 59.4 Ų | 59.4 | 31% | 0.313 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.9 | -43.6 | -169.6 | -71.9 | -180 | -66.7 | 175.6 | -3.6 | 113.5 | D666 S670 R671 Q672 E751 | D666-R668 VanDerWaalsContact C-N 3.28Å; D666-R668 VanDerWaalsContact CG-NE 3.29Å; D666-R668 PolarHBondContact O-N 2.94Å; D666-R668 VanDerWaalsContact OD1-CB 3.23Å; D666-R668 WeakPolarHBondContact OD1-CB 3.33Å; D666-R668 WeakPolarHBondContact OD1-CG 3.35Å; D666-R668 IonicContact OD1-CZ 2.8Å; D666-R668 PolarHBondContact OD1-N 2.94Å; D666-R668 IonicContact OD1-NE 3.3Å; D666-R668 PolarHBondContact OD1-NE 3.11Å; D666-R668 IonicContact OD2-CZ 3.29Å; D666-R668 IonicContact OD2-NE 3.13Å; D666-R668 PolarHBondContact OD2-NE 3.32Å; D666-R668 IonicContact OD2-NH2 3.38Å; D666-R668 PolarHBondContact OD2-NH2 3.42Å; R668-S670 VanDerWaalsContact C-N 3.34Å; R668-S670 PolarHBondContact O-N 3.08Å; R668-R671 PolarHBondContact O-N 2.85Å; R668-Q672 WeakPolarHBondContact O-CB 3.21Å; R668-Q672 PolarHBondContact O-N 3.3Å; R668-E751 IonicContact CZ-OE2 3.43Å; R668-E751 IonicContact NH1-OE2 3.68Å; R668-E751 PolarHBondContact NH1-OE2 3.09Å |
| 669 | A | 88.7 | Confident | 79.9 | Confident | 72 Ų | 72 | 56.9 Ų | 56.9 | 60% | 0.595 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -62.8 | -42.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | P667 Q672 A673 | P667-A669 PolarHBondContact O-N 2.88Å; A669-Q672 PolarHBondContact O-N 3.11Å; A669-A673 WeakPolarHBondContact O-CB 3.35Å; A669-A673 PolarHBondContact O-N 3.37Å |
| 670 | S | 89.7 | Confident | 81.9 | Confident | 11 Ų | 11 | 56.8 Ų | 56.8 | 8% | 0.077 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.9 | -41.9 | 176.7 | -55.2 | 0 | 0 | 0 | 0 | 111.9 | S655 P667 R668 A673 F674 | S655-S670 WeakPolarHBondContact O-CB 3.42Å; S655-S670 PolarHBondContact O-OG 2.7Å; P667-S670 CarbonylContact O-C 3.6Å; P667-S670 WeakPolarHBondContact O-CB 3.42Å; P667-S670 PolarHBondContact O-N 3.2Å; P667-S670 VanDerWaalsContact O-N 3.1Å; R668-S670 VanDerWaalsContact C-N 3.34Å; R668-S670 PolarHBondContact O-N 3.08Å; S670-A673 PolarHBondContact O-N 2.92Å; S670-F674 VanDerWaalsContact O-CB 3.28Å; S670-F674 WeakPolarHBondContact O-CB 3.14Å; S670-F674 PolarHBondContact O-N 3.01Å |
| 671 | R | 93.3 | Very high | 84.1 | Confident | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.015 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 175.6 | -74.1 | 172.5 | -177.6 | -179.6 | -2.6 | 112 | V656 P667 R668 A673 F674 P675 L729 M752 S755 C759 | V656-R671 HydrophobicContact CB-CG 4.07Å; V656-R671 HydrophobicContact CG1-CG 4.21Å; V656-R671 PolarHBondContact O-NE 3.12Å; V656-R671 PolarHBondContact O-NH2 2.62Å; P667-R671 HydrophobicContact CB-CG 4.35Å; P667-R671 VanDerWaalsContact CG-CZ 3.43Å; P667-R671 WeakPolarHBondContact O-CB 3.5Å; P667-R671 WeakPolarHBondContact O-CG 3.47Å; P667-R671 PolarHBondContact O-N 3.07Å; R668-R671 PolarHBondContact O-N 2.85Å; R671-A673 VanDerWaalsContact C-N 3.35Å; R671-F674 PolarHBondContact O-N 3.28Å; R671-P675 WeakPolarHBondContact O-CD 3.48Å; R671-L729 HydrophobicContact CG-CD2 4.33Å; R671-M752 PolarHBondContact NH1-O 2.81Å; R671-S755 WeakPolarHBondContact CB-OG 3.5Å; R671-S755 VanDerWaalsContact CD-OG 3.26Å; R671-S755 WeakPolarHBondContact CD-OG 3.42Å; R671-C759 HydrophobicContact CB-CB 4.08Å |
| 672 | Q | 93.7 | Very high | 86.4 | Confident | 154 Ų | 154 | 50.9 Ų | 50.9 | 72% | 0.72 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -65.2 | -37.6 | 175.6 | -172.1 | -178.9 | 13.3 | 0 | 0 | 112.1 | R668 A669 | R668-Q672 WeakPolarHBondContact O-CB 3.21Å; R668-Q672 PolarHBondContact O-N 3.3Å; A669-Q672 PolarHBondContact O-N 3.11Å |
| 673 | A | 94 | Very high | 88.8 | Confident | 31 Ų | 31 | 48.5 Ų | 48.5 | 26% | 0.256 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -79.8 | -21.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A669 S670 R671 M676 R677 | A669-A673 WeakPolarHBondContact O-CB 3.35Å; A669-A673 PolarHBondContact O-N 3.37Å; S670-A673 PolarHBondContact O-N 2.92Å; R671-A673 VanDerWaalsContact C-N 3.35Å; A673-M676 PolarHBondContact O-N 2.94Å; A673-R677 HydrophobicContact CB-CG 4.49Å; A673-R677 WeakPolarHBondContact O-CG 3.28Å; A673-R677 PolarHBondContact O-N 3.29Å |
| 674 | F | 95 | Very high | 90.8 | Very high | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.009 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.6 | -50.7 | -168.3 | -178.3 | -88.6 | 0 | 0 | 0 | 113.7 | L652 M653 V656 S670 R671 M676 R677 V678 F722 L725 C763 | L652-F674 HydrophobicContact CB-CD2 4.19Å; L652-F674 HydrophobicContact CB-CE2 3.83Å; M653-F674 HydrophobicContact SD-CE2 4.19Å; M653-F674 HydrophobicContact SD-CZ 4.1Å; V656-F674 HydrophobicContact CG1-CB 3.83Å; V656-F674 HydrophobicContact CG1-CD2 3.36Å; V656-F674 HydrophobicContact CG1-CE2 4.02Å; V656-F674 HydrophobicContact CG1-CG 3.73Å; V656-F674 HydrophobicContact CG2-CE2 4.48Å; S670-F674 VanDerWaalsContact O-CB 3.28Å; S670-F674 WeakPolarHBondContact O-CB 3.14Å; S670-F674 PolarHBondContact O-N 3.01Å; R671-F674 PolarHBondContact O-N 3.28Å; F674-M676 VanDerWaalsContact C-N 3.33Å; F674-M676 PolarHBondContact O-N 3.34Å; F674-R677 PolarHBondContact O-N 3.46Å; F674-R677 VanDerWaalsContact O-N 3.15Å; F674-V678 HydrophobicContact CD1-CG2 4.02Å; F674-V678 HydrophobicContact CE1-CG2 3.69Å; F674-V678 HydrophobicContact CE2-CG2 4.31Å; F674-V678 HydrophobicContact CG-CG2 4.44Å; F674-V678 HydrophobicContact CZ-CG2 3.85Å; F674-V678 WeakPolarHBondContact O-CG2 2.9Å; F674-V678 PolarHBondContact O-N 3.24Å; F674-F722 HydrophobicContact CZ-CE1 4.32Å; F674-F722 HydrophobicContact CZ-CZ 4.44Å; F674-L725 HydrophobicContact CE1-CD1 4.07Å; F674-L725 HydrophobicContact CZ-CD1 4Å; F674-C763 WeakPolarHBondContact CD1-SG 3.48Å; F674-C763 VanDerWaalsContact CE1-SG 3.54Å |
| 675 | P | 95.7 | Very high | 92.6 | Very high | 8 Ų | 8 | 36.7 Ų | 36.7 | 5% | 0.052 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.8 | -43.2 | 179.5 | -22.9 | 33 | 0 | 0 | 0 | 112.6 | R671 R677 V678 A679 E762 | R671-P675 WeakPolarHBondContact O-CD 3.48Å; P675-R677 PolarHBondContact O-N 3.49Å; P675-V678 PolarHBondContact O-N 2.93Å; P675-A679 WeakPolarHBondContact O-CB 3.38Å; P675-A679 PolarHBondContact O-N 3.02Å; P675-E762 HydrophobicContact CB-CB 3.79Å; P675-E762 HydrophobicContact CG-CB 3.5Å; P675-E762 HydrophobicContact CG-CG 4.46Å |
| 676 | M | 96 | Very high | 93.8 | Very high | 122 Ų | 122 | 35.5 Ų | 35.5 | 60% | 0.601 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -63.2 | -42.5 | 176.9 | -175.7 | 65 | 67.8 | 0 | 0 | 111.8 | A673 F674 A679 Q680 | A673-M676 PolarHBondContact O-N 2.94Å; F674-M676 VanDerWaalsContact C-N 3.33Å; F674-M676 PolarHBondContact O-N 3.34Å; M676-A679 PolarHBondContact O-N 2.74Å; M676-Q680 WeakPolarHBondContact O-CG 3.4Å; M676-Q680 PolarHBondContact O-N 3.44Å |
| 677 | R | 96.6 | Very high | 94.6 | Very high | 32 Ų | 32 | 36.7 Ų | 36.7 | 12% | 0.121 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.4 | -42.7 | 177.4 | -74.3 | -169.9 | 175 | 170.4 | -2.8 | 111.7 | D616 W619 L652 A673 F674 P675 A679 Q680 I681 | D616-R677 IonicContact OD1-CZ 2.76Å; D616-R677 IonicContact OD1-NH1 2.68Å; D616-R677 PolarHBondContact OD1-NH1 3.33Å; D616-R677 IonicContact OD1-NH2 3.65Å; D616-R677 PolarHBondContact OD1-NH2 3.3Å; W619-R677 HydrophobicContact CD2-CG 4.02Å; W619-R677 VanDerWaalsContact CE2-CG 3.5Å; W619-R677 HydrophobicContact CE3-CG 4.49Å; W619-R677 HydrophobicContact CH2-CB 3.68Å; W619-R677 HydrophobicContact CH2-CG 4.09Å; W619-R677 VanDerWaalsContact CZ2-CA 3.5Å; W619-R677 HydrophobicContact CZ2-CB 3.37Å; W619-R677 HydrophobicContact CZ2-CG 3.57Å; W619-R677 WeakPolarHBondContact CZ2-O 3.46Å; W619-R677 HydrophobicContact CZ3-CB 4.44Å; L652-R677 HydrophobicContact CD2-CB 4.18Å; A673-R677 HydrophobicContact CB-CG 4.49Å; A673-R677 WeakPolarHBondContact O-CG 3.28Å; A673-R677 PolarHBondContact O-N 3.29Å; F674-R677 PolarHBondContact O-N 3.46Å; F674-R677 VanDerWaalsContact O-N 3.15Å; P675-R677 PolarHBondContact O-N 3.49Å; R677-A679 VanDerWaalsContact C-N 3.34Å; R677-Q680 PolarHBondContact O-N 2.66Å; R677-I681 WeakPolarHBondContact O-CG2 3.48Å; R677-I681 PolarHBondContact O-N 3.13Å |
| 678 | V | 96.5 | Very high | 95 | Very high | 5 Ų | 5 | 37.7 Ų | 37.7 | 3% | 0.03 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.3 | -42.5 | 174.7 | 177.2 | 0 | 0 | 0 | 0 | 110.7 | L652 F674 P675 I681 C682 F722 L766 | L652-V678 HydrophobicContact CD1-CG2 4.49Å; F674-V678 HydrophobicContact CD1-CG2 4.02Å; F674-V678 HydrophobicContact CE1-CG2 3.69Å; F674-V678 HydrophobicContact CE2-CG2 4.31Å; F674-V678 HydrophobicContact CG-CG2 4.44Å; F674-V678 HydrophobicContact CZ-CG2 3.85Å; F674-V678 WeakPolarHBondContact O-CG2 2.9Å; F674-V678 PolarHBondContact O-N 3.24Å; P675-V678 PolarHBondContact O-N 2.93Å; V678-I681 WeakPolarHBondContact O-CG2 3.38Å; V678-C682 WeakPolarHBondContact O-CB 3.27Å; V678-C682 PolarHBondContact O-N 2.75Å; V678-C682 PolarHBondContact O-SG 3.41Å; V678-F722 HydrophobicContact CG1-CE2 4.04Å; V678-F722 HydrophobicContact CG2-CE2 3.98Å; V678-F722 HydrophobicContact CG2-CZ 3.92Å; V678-L766 HydrophobicContact CB-CD2 3.91Å; V678-L766 HydrophobicContact CG1-CD2 3.67Å |
| 679 | A | 96.9 | Very high | 95.4 | Very high | 33 Ų | 33 | 33.8 Ų | 33.8 | 27% | 0.273 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -61 | -45.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | P675 M676 R677 C682 S683 L766 | P675-A679 WeakPolarHBondContact O-CB 3.38Å; P675-A679 PolarHBondContact O-N 3.02Å; M676-A679 PolarHBondContact O-N 2.74Å; R677-A679 VanDerWaalsContact C-N 3.34Å; A679-C682 PolarHBondContact O-N 3.4Å; A679-S683 WeakPolarHBondContact O-CB 3.43Å; A679-S683 PolarHBondContact O-N 3.06Å; A679-S683 VanDerWaalsContact O-N 3.08Å; A679-L766 HydrophobicContact CB-CD1 3.69Å; A679-L766 HydrophobicContact CB-CD2 4.18Å |
| 680 | Q | 97.1 | Very high | 95.8 | Very high | 50 Ų | 50 | 31.5 Ų | 31.5 | 23% | 0.234 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62 | -49.6 | 179.1 | -75.7 | 174.6 | -28.7 | 0 | 0 | 112.2 | W619 M676 R677 C682 S683 | W619-Q680 HydrophobicContact CZ2-CB 4.49Å; M676-Q680 WeakPolarHBondContact O-CG 3.4Å; M676-Q680 PolarHBondContact O-N 3.44Å; R677-Q680 PolarHBondContact O-N 2.66Å; Q680-C682 VanDerWaalsContact C-N 3.33Å; Q680-C682 PolarHBondContact O-N 3.03Å; Q680-S683 WeakPolarHBondContact O-CB 3.5Å; Q680-S683 PolarHBondContact O-N 3.42Å; Q680-S683 PolarHBondContact O-OG 2.97Å |
| 681 | I | 96.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -70.3 | -29.1 | -177.3 | -163.2 | 61.8 | 0 | 0 | 0 | 112.6 | W619 A627 F645 I648 R677 V678 L718 | W619-I681 HydrophobicContact CH2-CB 4.32Å; A627-I681 HydrophobicContact CB-CD1 3.72Å; F645-I681 HydrophobicContact CD1-CG1 4.04Å; F645-I681 HydrophobicContact CE1-CD1 4.09Å; F645-I681 HydrophobicContact CE1-CG1 3.86Å; I648-I681 HydrophobicContact CD1-CD1 3.74Å; I648-I681 HydrophobicContact CD1-CG1 4.23Å; I648-I681 HydrophobicContact CG2-CG1 4.34Å; R677-I681 WeakPolarHBondContact O-CG2 3.48Å; R677-I681 PolarHBondContact O-N 3.13Å; V678-I681 WeakPolarHBondContact O-CG2 3.38Å; I681-L718 HydrophobicContact CG1-CD1 4.39Å; I681-L718 HydrophobicContact CG2-CD1 3.8Å; I681-L718 HydrophobicContact CG2-CD2 4.28Å |
| 682 | C | 97.2 | Very high | 96.2 | Very high | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.014 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -77.4 | -21.7 | 174.7 | -66.2 | 0 | 0 | 0 | 0 | 113.4 | V678 A679 Q680 V684 S685 L686 L715 | V678-C682 WeakPolarHBondContact O-CB 3.27Å; V678-C682 PolarHBondContact O-N 2.75Å; V678-C682 PolarHBondContact O-SG 3.41Å; A679-C682 PolarHBondContact O-N 3.4Å; Q680-C682 VanDerWaalsContact C-N 3.33Å; Q680-C682 PolarHBondContact O-N 3.03Å; C682-V684 PolarHBondContact O-N 3.25Å; C682-S685 PolarHBondContact O-N 2.97Å; C682-L686 HydrophobicContact CB-CD1 4.04Å; C682-L686 HydrophobicContact CB-CG 4.46Å; C682-L686 WeakPolarHBondContact O-CG 3.35Å; C682-L686 PolarHBondContact O-N 3.33Å; C682-L715 HydrophobicContact CB-CD2 3.69Å |
| 683 | S | 97.2 | Very high | 96.3 | Very high | 35 Ų | 35 | 30.4 Ų | 30.4 | 25% | 0.245 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.4 | -42 | -168 | 66.3 | 0 | 0 | 0 | 0 | 113.5 | Y628 A679 Q680 S685 L686 E687 | Y628-S683 WeakPolarHBondContact CE1-OG 3.37Å; Y628-S683 PolarHBondContact OH-OG 2.75Å; A679-S683 WeakPolarHBondContact O-CB 3.43Å; A679-S683 PolarHBondContact O-N 3.06Å; A679-S683 VanDerWaalsContact O-N 3.08Å; Q680-S683 WeakPolarHBondContact O-CB 3.5Å; Q680-S683 PolarHBondContact O-N 3.42Å; Q680-S683 PolarHBondContact O-OG 2.97Å; S683-S685 PolarHBondContact O-N 3.06Å; S683-L686 PolarHBondContact O-N 2.94Å; S683-E687 VanDerWaalsContact O-CB 3.31Å; S683-E687 WeakPolarHBondContact O-CB 3.22Å; S683-E687 PolarHBondContact O-N 3.38Å |
| 684 | V | 95 | Very high | 96.4 | Very high | 9 Ų | 9 | 34.3 Ų | 34.3 | 6% | 0.055 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.7 | -44.9 | 179 | 64.3 | 0 | 0 | 0 | 0 | 111.8 | Y628 P631 F645 C682 C688 | Y628-V684 HydrophobicContact CD1-CB 4.17Å; P631-V684 HydrophobicContact CG-CG2 3.77Å; F645-V684 HydrophobicContact CZ-CG1 4.44Å; C682-V684 PolarHBondContact O-N 3.25Å; V684-C688 WeakPolarHBondContact O-CB 3.42Å; V684-C688 PolarHBondContact O-N 3Å; V684-C688 PolarHBondContact O-SG 3.18Å |
| 685 | S | 96 | Very high | 96.4 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -69.2 | -41.4 | 179.1 | -59 | 0 | 0 | 0 | 0 | 111.8 | C682 S683 C688 L689 | C682-S685 PolarHBondContact O-N 2.97Å; S683-S685 PolarHBondContact O-N 3.06Å; S685-C688 PolarHBondContact O-N 2.95Å; S685-L689 WeakPolarHBondContact O-CB 3.5Å; S685-L689 VanDerWaalsContact O-CG 3.29Å; S685-L689 WeakPolarHBondContact O-CG 3.34Å; S685-L689 PolarHBondContact O-N 3.37Å |
| 686 | L | 97.8 | Very high | 96.2 | Very high | 13 Ų | 13 | 42 Ų | 42 | 7% | 0.068 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.3 | -38.9 | 178.5 | -65.4 | 172.4 | 0 | 0 | 0 | 112.2 | C682 S683 S690 L715 V770 I771 V774 | C682-L686 HydrophobicContact CB-CD1 4.04Å; C682-L686 HydrophobicContact CB-CG 4.46Å; C682-L686 WeakPolarHBondContact O-CG 3.35Å; C682-L686 PolarHBondContact O-N 3.33Å; S683-L686 PolarHBondContact O-N 2.94Å; L686-S690 WeakPolarHBondContact O-CB 3.28Å; L686-S690 PolarHBondContact O-N 3.16Å; L686-S690 PolarHBondContact O-OG 3.44Å; L686-L715 HydrophobicContact CD2-CD1 3.91Å; L686-V770 HydrophobicContact CD1-CG1 4.01Å; L686-I771 HydrophobicContact CD1-CG1 4.18Å; L686-V774 HydrophobicContact CD2-CB 4.02Å; L686-V774 HydrophobicContact CD2-CG1 4.12Å; L686-V774 HydrophobicContact CD2-CG2 4.16Å |
| 687 | E | 96.4 | Very high | 96.1 | Very high | 105 Ų | 105 | 38.6 Ų | 38.6 | 49% | 0.491 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -68.9 | -42.9 | 176.6 | -170.7 | -179.8 | 166.4 | 0 | 0 | 111.2 | S683 S690 K691 | S683-E687 VanDerWaalsContact O-CB 3.31Å; S683-E687 WeakPolarHBondContact O-CB 3.22Å; S683-E687 PolarHBondContact O-N 3.38Å; E687-S690 PolarHBondContact O-N 3.43Å; E687-K691 HydrophobicContact CG-CD 4.32Å; E687-K691 WeakPolarHBondContact O-CB 3.47Å; E687-K691 WeakPolarHBondContact O-CG 3.31Å; E687-K691 PolarHBondContact O-N 3.49Å; E687-K691 WeakPolarHBondContact OE1-CE 3.35Å; E687-K691 IonicContact OE1-NZ 3.67Å; E687-K691 PolarHBondContact OE1-NZ 2.86Å |
| 688 | C | 95.7 | Very high | 95.7 | Very high | 20 Ų | 20 | 41.2 Ų | 41.2 | 14% | 0.135 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.4 | -47.1 | 175.4 | -67.8 | 0 | 0 | 0 | 0 | 111.4 | V684 S685 S690 K691 L692 W711 | V684-C688 WeakPolarHBondContact O-CB 3.42Å; V684-C688 PolarHBondContact O-N 3Å; V684-C688 PolarHBondContact O-SG 3.18Å; S685-C688 PolarHBondContact O-N 2.95Å; C688-S690 VanDerWaalsContact C-N 3.33Å; C688-S690 PolarHBondContact O-N 3.34Å; C688-K691 PolarHBondContact O-N 3.45Å; C688-L692 VanDerWaalsContact O-CG 3.32Å; C688-L692 WeakPolarHBondContact O-CG 3.34Å; C688-L692 PolarHBondContact O-N 3.39Å; C688-W711 HydrophobicContact CB-CD2 3.49Å; C688-W711 VanDerWaalsContact CB-CD2 3.49Å; C688-W711 VanDerWaalsContact CB-CE2 3.47Å; C688-W711 HydrophobicContact CB-CE3 3.96Å; C688-W711 HydrophobicContact CB-CG 3.82Å; C688-W711 HydrophobicContact CB-CH2 4.36Å; C688-W711 HydrophobicContact CB-CZ2 3.93Å; C688-W711 HydrophobicContact CB-CZ3 4.37Å |
| 689 | L | 97.2 | Very high | 95.4 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.6 | -43.8 | 175.2 | -74.1 | 169.8 | 0 | 0 | 0 | 112.4 | S685 L692 M693 P708 W711 L712 L715 V774 V778 | S685-L689 WeakPolarHBondContact O-CB 3.5Å; S685-L689 VanDerWaalsContact O-CG 3.29Å; S685-L689 WeakPolarHBondContact O-CG 3.34Å; S685-L689 PolarHBondContact O-N 3.37Å; L689-L692 PolarHBondContact O-N 3.41Å; L689-M693 WeakPolarHBondContact O-CE 3.38Å; L689-M693 WeakPolarHBondContact O-CG 3.33Å; L689-M693 PolarHBondContact O-N 3.18Å; L689-M693 VanDerWaalsContact O-N 3.15Å; L689-P708 HydrophobicContact CD2-CB 3.76Å; L689-W711 HydrophobicContact CD1-CB 4.21Å; L689-W711 HydrophobicContact CD2-CB 3.97Å; L689-W711 HydrophobicContact CG-CB 3.73Å; L689-W711 HydrophobicContact CG-CG 4.47Å; L689-L712 HydrophobicContact CD1-CD2 3.98Å; L689-L712 HydrophobicContact CD1-CG 4.34Å; L689-L712 HydrophobicContact CD2-CD2 4.5Å; L689-L712 HydrophobicContact CD2-CG 4.18Å; L689-L715 HydrophobicContact CD1-CD1 4.08Å; L689-V774 HydrophobicContact CB-CG1 3.95Å; L689-V774 HydrophobicContact CD1-CG1 4.29Å; L689-V778 HydrophobicContact CD2-CG2 4.32Å |
| 690 | S | 97.4 | Very high | 94.7 | Very high | 24 Ų | 24 | 47.6 Ų | 47.6 | 17% | 0.168 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.8 | -46.5 | 178.2 | -61.7 | 0 | 0 | 0 | 0 | 111.3 | L686 E687 C688 L692 M693 D694 | L686-S690 WeakPolarHBondContact O-CB 3.28Å; L686-S690 PolarHBondContact O-N 3.16Å; L686-S690 PolarHBondContact O-OG 3.44Å; E687-S690 PolarHBondContact O-N 3.43Å; C688-S690 VanDerWaalsContact C-N 3.33Å; C688-S690 PolarHBondContact O-N 3.34Å; S690-L692 PolarHBondContact O-N 3.01Å; S690-M693 PolarHBondContact O-N 3.41Å; S690-D694 WeakPolarHBondContact O-CB 3.34Å; S690-D694 PolarHBondContact O-N 3.1Å |
| 691 | K | 95.9 | Very high | 93.3 | Very high | 123 Ų | 123 | 48.8 Ų | 48.8 | 54% | 0.535 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62 | -40.5 | 177.5 | -75.8 | 178 | -178.1 | 167.3 | 0 | 113 | E687 C688 M693 D694 G695 | E687-K691 HydrophobicContact CG-CD 4.32Å; E687-K691 WeakPolarHBondContact O-CB 3.47Å; E687-K691 WeakPolarHBondContact O-CG 3.31Å; E687-K691 PolarHBondContact O-N 3.49Å; E687-K691 WeakPolarHBondContact OE1-CE 3.35Å; E687-K691 IonicContact OE1-NZ 3.67Å; E687-K691 PolarHBondContact OE1-NZ 2.86Å; C688-K691 PolarHBondContact O-N 3.45Å; K691-M693 VanDerWaalsContact C-N 3.35Å; K691-D694 PolarHBondContact O-N 3.3Å; K691-G695 PolarHBondContact O-N 2.88Å |
| 692 | L | 95.7 | Very high | 92.1 | Very high | 12 Ų | 12 | 54.5 Ų | 54.5 | 6% | 0.063 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.9 | -46.3 | 175.9 | -71.9 | 175.4 | 0 | 0 | 0 | 111.4 | C688 L689 S690 N696 V697 L705 P708 | C688-L692 VanDerWaalsContact O-CG 3.32Å; C688-L692 WeakPolarHBondContact O-CG 3.34Å; C688-L692 PolarHBondContact O-N 3.39Å; L689-L692 PolarHBondContact O-N 3.41Å; S690-L692 PolarHBondContact O-N 3.01Å; L692-N696 PolarHBondContact O-N 2.71Å; L692-N696 VanDerWaalsContact O-N 3.12Å; L692-V697 HydrophobicContact CD2-CB 3.81Å; L692-V697 HydrophobicContact CD2-CG1 3.92Å; L692-V697 HydrophobicContact CD2-CG2 4.12Å; L692-V697 PolarHBondContact O-N 3.14Å; L692-L705 WeakPolarHBondContact CD2-O 3.46Å; L692-P708 HydrophobicContact CD1-CB 4.35Å |
| 693 | M | 96.6 | Very high | 91.2 | Very high | 11 Ų | 11 | 57.1 Ų | 57.1 | 5% | 0.054 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -71.2 | -39.8 | 179.1 | -67.4 | -175.2 | -69.4 | 0 | 0 | 112.7 | L689 S690 K691 N696 V774 R777 V778 H781 Y782 | L689-M693 WeakPolarHBondContact O-CE 3.38Å; L689-M693 WeakPolarHBondContact O-CG 3.33Å; L689-M693 PolarHBondContact O-N 3.18Å; L689-M693 VanDerWaalsContact O-N 3.15Å; S690-M693 PolarHBondContact O-N 3.41Å; K691-M693 VanDerWaalsContact C-N 3.35Å; M693-N696 PolarHBondContact O-N 3.46Å; M693-V774 HydrophobicContact CE-CG1 4.11Å; M693-R777 HydrophobicContact CE-CB 3.64Å; M693-R777 HydrophobicContact SD-CB 3.65Å; M693-V778 HydrophobicContact CE-CG2 3.92Å; M693-V778 HydrophobicContact SD-CB 4.47Å; M693-V778 HydrophobicContact SD-CG2 3.82Å; M693-H781 HydrophobicContact CG-CB 4.25Å; M693-H781 HydrophobicContact SD-CB 4.04Å; M693-Y782 HydrophobicContact CG-CE2 3.89Å; M693-Y782 HydrophobicContact SD-CE2 4.36Å |
| 694 | D | 96.4 | Very high | 90.5 | Very high | 113 Ų | 113 | 57 Ų | 57 | 60% | 0.604 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -67 | -38.4 | 179 | -69.1 | -22.7 | 0 | 0 | 0 | 111.7 | S690 K691 N696 R777 | S690-D694 WeakPolarHBondContact O-CB 3.34Å; S690-D694 PolarHBondContact O-N 3.1Å; K691-D694 PolarHBondContact O-N 3.3Å; D694-N696 VanDerWaalsContact C-N 3.31Å; D694-R777 IonicContact OD1-CZ 3.54Å; D694-R777 IonicContact OD1-NH1 3.95Å; D694-R777 IonicContact OD1-NH2 3.65Å; D694-R777 PolarHBondContact OD1-NH2 3.43Å |
| 695 | G | 93.8 | Very high | 90.1 | Very high | 54 Ų | 54 | 60 Ų | 60 | 56% | 0.557 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -7.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | K691 V697 | K691-G695 PolarHBondContact O-N 2.88Å; G695-V697 PolarHBondContact O-N 3.26Å |
| 696 | N | 92.8 | Very high | 89.8 | Confident | 116 Ų | 116 | 60.3 Ų | 60.3 | 62% | 0.62 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.6 | 44.3 | -171.1 | -164.8 | 42.4 | 0 | 0 | 0 | 111.8 | L692 M693 D694 H781 | L692-N696 PolarHBondContact O-N 2.71Å; L692-N696 VanDerWaalsContact O-N 3.12Å; M693-N696 PolarHBondContact O-N 3.46Å; D694-N696 VanDerWaalsContact C-N 3.31Å; N696-H781 PolarHBondContact OD1-CE1 2.95Å |
| 697 | V | 92.1 | Very high | 89.5 | Confident | 52 Ų | 52 | 60 Ų | 60 | 32% | 0.315 | 36% | 0.358 | S | S | . | . | trans | -68.5 | 126.8 | -173.2 | -179.1 | 0 | 0 | 0 | 0 | 109 | L692 G695 | L692-V697 HydrophobicContact CD2-CB 3.81Å; L692-V697 HydrophobicContact CD2-CG1 3.92Å; L692-V697 HydrophobicContact CD2-CG2 4.12Å; L692-V697 PolarHBondContact O-N 3.14Å; G695-V697 PolarHBondContact O-N 3.26Å | ||
| 698 | P | 89.8 | Confident | 89.5 | Confident | 86 Ų | 86 | 55 Ų | 55 | 56% | 0.558 | 33% | 0.334 | S | S | * | . | trans | -66.8 | 141.8 | 175.9 | 28.5 | -33.8 | 0 | 0 | 0 | 110.4 | E700 | P698-E700 PolarHBondContact O-N 2.74Š| ||
| 699 | I | 88.9 | Confident | 89.4 | Confident | 63 Ų | 63 | 56.7 Ų | 56.7 | 32% | 0.323 | 34% | 0.338 | S | S | . | . | trans | -75.1 | 111.5 | 174.9 | -55.6 | 175.4 | 0 | 0 | 0 | 108.4 | P708 Y782 P788 | I699-P708 HydrophobicContact CD1-CG 3.92Å; I699-P708 HydrophobicContact CG1-CG 4.38Å; I699-Y782 HydrophobicContact CD1-CD1 4.03Å; I699-Y782 HydrophobicContact CD1-CE1 3.84Å; I699-Y782 HydrophobicContact CG1-CE1 4.21Å; I699-P788 HydrophobicContact CD1-CG 3.75Å | ||
| 700 | E | 82.5 | Confident | 89.2 | Confident | 110 Ų | 110 | 56.7 Ų | 56.7 | 51% | 0.514 | 34% | 0.338 | S | S | . | . | trans | -100.3 | 118.3 | 175 | -64.4 | -173.2 | -179.9 | 0 | 0 | 109.4 | P698 S702 D703 S706 | P698-E700 PolarHBondContact O-N 2.74Å; E700-S702 PolarHBondContact O-N 3.06Å; E700-D703 HydrophobicContact CB-CB 4.29Å; E700-D703 PolarHBondContact O-N 3.28Å; E700-S706 PolarHBondContact N-OG 3.04Å; E700-S706 PolarHBondContact O-OG 3.46Å | ||
| 701 | G | 68.8 | Low | 89.2 | Confident | 75 Ų | 75 | 55.6 Ų | 55.6 | 77% | 0.773 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -16.3 | -168 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 702 | S | 70.5 | Confident | 89.2 | Confident | 119 Ų | 119 | 49.8 Ų | 49.8 | 83% | 0.832 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -15.8 | 176.6 | 52.3 | 0 | 0 | 0 | 0 | 114 | E700 | E700-S702 PolarHBondContact O-N 3.06Š|
| 703 | D | 78.8 | Confident | 89.2 | Confident | 58 Ų | 58 | 50.5 Ų | 50.5 | 31% | 0.31 | 31% | 0.309 | S | S | . | . | trans | -107.7 | 105.9 | -175.9 | 178.7 | 28.9 | 0 | 0 | 0 | 111.1 | E700 L705 S706 D707 | E700-D703 HydrophobicContact CB-CB 4.29Å; E700-D703 PolarHBondContact O-N 3.28Å; D703-L705 PolarHBondContact O-N 3.36Å; D703-L705 WeakPolarHBondContact OD1-CB 3.43Å; D703-L705 PolarHBondContact OD1-N 3.45Å; D703-S706 PolarHBondContact O-N 2.82Å; D703-S706 PolarHBondContact O-OG 3.35Å; D703-S706 PolarHBondContact OD2-N 3.3Å; D703-D707 PolarHBondContact O-N 2.95Å | ||
| 704 | T | 81.8 | Confident | 89.2 | Confident | 32 Ų | 32 | 50.2 Ų | 50.2 | 20% | 0.196 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -24.2 | 176.4 | 47.3 | 0 | 0 | 0 | 0 | 113.3 | A634 D707 V710 | A634-T704 WeakPolarHBondContact CB-OG1 3.26Å; A634-T704 VanDerWaalsContact O-CB 3.3Å; A634-T704 WeakPolarHBondContact O-CB 3.32Å; A634-T704 WeakPolarHBondContact O-CG2 3.46Å; A634-T704 PolarHBondContact O-OG1 3.39Å; T704-D707 PolarHBondContact O-N 3.17Å; T704-V710 HydrophobicContact CG2-CG2 4.11Å |
| 705 | L | 87.5 | Confident | 89.3 | Confident | 73 Ų | 73 | 44.9 Ų | 44.9 | 38% | 0.382 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -41.8 | 174.8 | -78.2 | 173.8 | 0 | 0 | 0 | 111.6 | P631 A634 L692 D703 D707 W711 | P631-L705 HydrophobicContact CB-CD2 4.02Å; P631-L705 VanDerWaalsContact O-CD2 3.29Å; P631-L705 WeakPolarHBondContact O-CD2 3.18Å; A634-L705 HydrophobicContact CB-CD1 4.25Å; A634-L705 HydrophobicContact CB-CD2 3.72Å; A634-L705 HydrophobicContact CB-CG 3.48Å; A634-L705 VanDerWaalsContact CB-CG 3.48Å; L692-L705 WeakPolarHBondContact CD2-O 3.46Å; D703-L705 PolarHBondContact O-N 3.36Å; D703-L705 WeakPolarHBondContact OD1-CB 3.43Å; D703-L705 PolarHBondContact OD1-N 3.45Å; L705-D707 PolarHBondContact O-N 3.43Å; L705-W711 HydrophobicContact CD2-CH2 4.42Å; L705-W711 HydrophobicContact CD2-CZ2 3.91Å |
| 706 | S | 89.6 | Confident | 89.4 | Confident | 5 Ų | 5 | 42.4 Ų | 42.4 | 4% | 0.035 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -14.8 | 178.6 | 79.6 | 0 | 0 | 0 | 0 | 113.9 | E700 D703 P708 | E700-S706 PolarHBondContact N-OG 3.04Å; E700-S706 PolarHBondContact O-OG 3.46Å; D703-S706 PolarHBondContact O-N 2.82Å; D703-S706 PolarHBondContact O-OG 3.35Å; D703-S706 PolarHBondContact OD2-N 3.3Å; S706-P708 WeakPolarHBondContact O-CD 3.36Å |
| 707 | D | 92.2 | Very high | 89.6 | Confident | 7 Ų | 7 | 37.5 Ų | 37.5 | 4% | 0.037 | 23% | 0.229 | C | C | . | . | trans | -95.1 | 111.9 | -169.2 | -166.7 | -14.3 | 0 | 0 | 0 | 112.5 | D703 T704 L705 R709 V710 | D703-D707 PolarHBondContact O-N 2.95Å; T704-D707 PolarHBondContact O-N 3.17Å; L705-D707 PolarHBondContact O-N 3.43Å; D707-R709 VanDerWaalsContact CG-NE 3.3Å; D707-R709 PolarHBondContact O-N 3.26Å; D707-R709 VanDerWaalsContact O-N 3.1Å; D707-R709 VanDerWaalsContact OD1-CB 3.23Å; D707-R709 WeakPolarHBondContact OD1-CB 3.14Å; D707-R709 WeakPolarHBondContact OD1-CG 3.34Å; D707-R709 PolarHBondContact OD1-N 2.87Å; D707-R709 IonicContact OD1-NE 2.68Å; D707-R709 PolarHBondContact OD1-NE 3.12Å; D707-R709 IonicContact OD2-CZ 3.5Å; D707-R709 IonicContact OD2-NE 3.34Å; D707-R709 PolarHBondContact OD2-NE 3.14Å; D707-R709 IonicContact OD2-NH2 2.89Å; D707-R709 PolarHBondContact OD2-NH2 3.36Å; D707-V710 HydrophobicContact CB-CG2 4.23Å; D707-V710 PolarHBondContact O-N 3.39Å | ||
| 708 | P | 95 | Very high | 89.8 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.9 | -21.3 | 178.5 | 27.7 | -36.8 | 0 | 0 | 0 | 113.1 | L689 L692 I699 S706 V710 W711 L712 Y782 P788 | L689-P708 HydrophobicContact CD2-CB 3.76Å; L692-P708 HydrophobicContact CD1-CB 4.35Å; I699-P708 HydrophobicContact CD1-CG 3.92Å; I699-P708 HydrophobicContact CG1-CG 4.38Å; S706-P708 WeakPolarHBondContact O-CD 3.36Å; P708-V710 VanDerWaalsContact C-N 3.34Å; P708-V710 PolarHBondContact O-N 3.08Å; P708-W711 PolarHBondContact O-N 2.86Å; P708-L712 WeakPolarHBondContact O-CD1 3.31Å; P708-L712 VanDerWaalsContact O-CG 3.25Å; P708-L712 WeakPolarHBondContact O-CG 3.46Å; P708-L712 PolarHBondContact O-N 3.49Å; P708-L712 VanDerWaalsContact O-N 3.11Å; P708-Y782 HydrophobicContact CB-CE2 3.97Å; P708-Y782 HydrophobicContact CG-CD1 4.5Å; P708-Y782 HydrophobicContact CG-CE1 4Å; P708-Y782 HydrophobicContact CG-CE2 4.03Å; P708-P788 HydrophobicContact CG-CB 4.23Å; P708-P788 HydrophobicContact CG-CG 4.13Å |
| 709 | R | 94.4 | Very high | 90.2 | Very high | 55 Ų | 55 | 31 Ų | 31 | 21% | 0.208 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.4 | -41.6 | -178 | -63.9 | 178.6 | -63.6 | 155.6 | 0.1 | 112.2 | D707 W711 L712 D713 | D707-R709 VanDerWaalsContact CG-NE 3.3Å; D707-R709 PolarHBondContact O-N 3.26Å; D707-R709 VanDerWaalsContact O-N 3.1Å; D707-R709 VanDerWaalsContact OD1-CB 3.23Å; D707-R709 WeakPolarHBondContact OD1-CB 3.14Å; D707-R709 WeakPolarHBondContact OD1-CG 3.34Å; D707-R709 PolarHBondContact OD1-N 2.87Å; D707-R709 IonicContact OD1-NE 2.68Å; D707-R709 PolarHBondContact OD1-NE 3.12Å; D707-R709 IonicContact OD2-CZ 3.5Å; D707-R709 IonicContact OD2-NE 3.34Å; D707-R709 PolarHBondContact OD2-NE 3.14Å; D707-R709 IonicContact OD2-NH2 2.89Å; D707-R709 PolarHBondContact OD2-NH2 3.36Å; R709-W711 PolarHBondContact O-N 3.09Å; R709-L712 PolarHBondContact O-N 2.93Å; R709-D713 WeakPolarHBondContact O-CB 3.3Å; R709-D713 PolarHBondContact O-N 3.01Å |
| 710 | V | 93.6 | Very high | 90.5 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.012 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -55.7 | -51.4 | -179.5 | 174.4 | 0 | 0 | 0 | 0 | 110.4 | I638 T704 D707 P708 D713 Y714 | I638-V710 HydrophobicContact CD1-CG2 3.6Å; I638-V710 HydrophobicContact CG1-CG1 4.48Å; I638-V710 HydrophobicContact CG1-CG2 4.06Å; T704-V710 HydrophobicContact CG2-CG2 4.11Å; D707-V710 HydrophobicContact CB-CG2 4.23Å; D707-V710 PolarHBondContact O-N 3.39Å; P708-V710 VanDerWaalsContact C-N 3.34Å; P708-V710 PolarHBondContact O-N 3.08Å; V710-D713 PolarHBondContact O-N 3.46Å; V710-Y714 HydrophobicContact CG1-CE1 4.07Å; V710-Y714 HydrophobicContact CG1-CE2 3.72Å; V710-Y714 VanDerWaalsContact CG1-CZ 3.46Å; V710-Y714 WeakPolarHBondContact CG1-OH 3.42Å; V710-Y714 WeakPolarHBondContact O-CD1 3.22Å; V710-Y714 PolarHBondContact O-N 2.72Å; V710-Y714 VanDerWaalsContact O-N 3.12Å |
| 711 | W | 95.7 | Very high | 91.1 | Very high | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -70 | -34.9 | -177.8 | -50.1 | 111.1 | 0 | 0 | 0 | 112.6 | P631 C688 L689 L705 P708 R709 Y714 L715 | P631-W711 HydrophobicContact CB-CH2 4.19Å; P631-W711 HydrophobicContact CG-CH2 3.88Å; P631-W711 HydrophobicContact CG-CZ3 4.39Å; C688-W711 HydrophobicContact CB-CD2 3.49Å; C688-W711 VanDerWaalsContact CB-CD2 3.49Å; C688-W711 VanDerWaalsContact CB-CE2 3.47Å; C688-W711 HydrophobicContact CB-CE3 3.96Å; C688-W711 HydrophobicContact CB-CG 3.82Å; C688-W711 HydrophobicContact CB-CH2 4.36Å; C688-W711 HydrophobicContact CB-CZ2 3.93Å; C688-W711 HydrophobicContact CB-CZ3 4.37Å; L689-W711 HydrophobicContact CD1-CB 4.21Å; L689-W711 HydrophobicContact CD2-CB 3.97Å; L689-W711 HydrophobicContact CG-CB 3.73Å; L689-W711 HydrophobicContact CG-CG 4.47Å; L705-W711 HydrophobicContact CD2-CH2 4.42Å; L705-W711 HydrophobicContact CD2-CZ2 3.91Å; P708-W711 PolarHBondContact O-N 2.86Å; R709-W711 PolarHBondContact O-N 3.09Å; W711-Y714 AromaticContact CE3-CD2 3.81Å; W711-Y714 HydrophobicContact CE3-CD2 3.81Å; W711-Y714 AromaticContact CE3-CE2 3.85Å; W711-Y714 HydrophobicContact CE3-CE2 3.85Å; W711-Y714 HydrophobicContact CZ3-CD2 4.09Å; W711-Y714 AromaticContact CZ3-CE2 3.77Å; W711-Y714 HydrophobicContact CZ3-CE2 3.77Å; W711-L715 WeakPolarHBondContact O-CG 3.49Å; W711-L715 PolarHBondContact O-N 3.33Å |
| 712 | L | 97.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.2 | -40.1 | 173.3 | -70.9 | 167.4 | 0 | 0 | 0 | 111.5 | L689 P708 R709 L715 A716 V778 H791 V792 L795 | L689-L712 HydrophobicContact CD1-CD2 3.98Å; L689-L712 HydrophobicContact CD1-CG 4.34Å; L689-L712 HydrophobicContact CD2-CD2 4.5Å; L689-L712 HydrophobicContact CD2-CG 4.18Å; P708-L712 WeakPolarHBondContact O-CD1 3.31Å; P708-L712 VanDerWaalsContact O-CG 3.25Å; P708-L712 WeakPolarHBondContact O-CG 3.46Å; P708-L712 PolarHBondContact O-N 3.49Å; P708-L712 VanDerWaalsContact O-N 3.11Å; R709-L712 PolarHBondContact O-N 2.93Å; L712-L715 PolarHBondContact O-N 2.9Å; L712-A716 WeakPolarHBondContact O-CB 3.39Å; L712-A716 PolarHBondContact O-N 2.87Å; L712-V778 HydrophobicContact CD1-CG1 4.18Å; L712-V778 HydrophobicContact CD2-CG1 4.43Å; L712-H791 HydrophobicContact CB-CB 4.14Å; L712-H791 HydrophobicContact CD1-CB 3.97Å; L712-V792 HydrophobicContact CD1-CB 4.15Å; L712-V792 HydrophobicContact CD2-CB 4.22Å; L712-V792 HydrophobicContact CD2-CG2 4.23Å; L712-L795 HydrophobicContact CD2-CD2 3.92Å |
| 713 | D | 95.7 | Very high | 93.4 | Very high | 27 Ų | 27 | 25.1 Ų | 25.1 | 14% | 0.144 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -69.9 | -34.5 | 179.7 | -72.5 | -27.3 | 0 | 0 | 0 | 112.3 | T642 R709 V710 A716 A717 H791 R794 | T642-D713 HydrophobicContact CG2-CB 4.26Å; R709-D713 WeakPolarHBondContact O-CB 3.3Å; R709-D713 PolarHBondContact O-N 3.01Å; V710-D713 PolarHBondContact O-N 3.46Å; D713-A716 PolarHBondContact O-N 3.4Å; D713-A717 WeakPolarHBondContact O-CB 3.38Å; D713-A717 PolarHBondContact O-N 2.89Å; D713-H791 IonicContact OD1-CE1 3.51Å; D713-H791 IonicContact OD1-CG 3.52Å; D713-H791 IonicContact OD1-ND1 2.94Å; D713-H791 PolarHBondContact OD1-ND1 3.03Å; D713-H791 IonicContact OD2-CE1 3.42Å; D713-H791 PolarHBondContact OD2-CE1 2.8Å; D713-H791 IonicContact OD2-ND1 3.74Å; D713-H791 PolarHBondContact OD2-ND1 3.02Å; D713-R794 IonicContact OD1-NH1 3.01Å; D713-R794 PolarHBondContact OD1-NH1 3.18Å |
| 714 | Y | 96.3 | Very high | 93.9 | Very high | 4 Ų | 4 | 24 Ų | 24 | 2% | 0.016 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.6 | -44.2 | 172.1 | -63.9 | -11.2 | 0 | 0 | 0 | 112.2 | L630 I638 A641 T642 F645 V710 W711 A717 L718 | L630-Y714 HydrophobicContact CD1-CE2 4.27Å; I638-Y714 HydrophobicContact CG2-CE1 4.11Å; A641-Y714 HydrophobicContact CB-CD1 4.32Å; A641-Y714 HydrophobicContact CB-CE1 3.43Å; A641-Y714 VanDerWaalsContact CB-CE1 3.43Å; A641-Y714 WeakPolarHBondContact CB-OH 3.41Å; T642-Y714 HydrophobicContact CG2-CD1 3.82Å; T642-Y714 HydrophobicContact CG2-CE1 4.16Å; F645-Y714 AromaticContact CD2-CD1 3.94Å; F645-Y714 HydrophobicContact CD2-CD1 3.94Å; F645-Y714 HydrophobicContact CD2-CD2 4.3Å; F645-Y714 AromaticContact CD2-CG 3.74Å; F645-Y714 HydrophobicContact CD2-CG 3.74Å; F645-Y714 AromaticContact CE2-CD1 3.96Å; F645-Y714 HydrophobicContact CE2-CD1 3.96Å; F645-Y714 AromaticContact CE2-CD2 3.51Å; F645-Y714 HydrophobicContact CE2-CD2 3.51Å; F645-Y714 HydrophobicContact CE2-CE2 4.15Å; F645-Y714 AromaticContact CE2-CG 3.41Å; F645-Y714 HydrophobicContact CE2-CG 3.41Å; F645-Y714 VanDerWaalsContact CE2-CG 3.41Å; F645-Y714 HydrophobicContact CZ-CD2 4.01Å; F645-Y714 HydrophobicContact CZ-CG 4.11Å; V710-Y714 HydrophobicContact CG1-CE1 4.07Å; V710-Y714 HydrophobicContact CG1-CE2 3.72Å; V710-Y714 VanDerWaalsContact CG1-CZ 3.46Å; V710-Y714 WeakPolarHBondContact CG1-OH 3.42Å; V710-Y714 WeakPolarHBondContact O-CD1 3.22Å; V710-Y714 PolarHBondContact O-N 2.72Å; V710-Y714 VanDerWaalsContact O-N 3.12Å; W711-Y714 AromaticContact CE3-CD2 3.81Å; W711-Y714 HydrophobicContact CE3-CD2 3.81Å; W711-Y714 AromaticContact CE3-CE2 3.85Å; W711-Y714 HydrophobicContact CE3-CE2 3.85Å; W711-Y714 HydrophobicContact CZ3-CD2 4.09Å; W711-Y714 AromaticContact CZ3-CE2 3.77Å; W711-Y714 HydrophobicContact CZ3-CE2 3.77Å; Y714-A717 PolarHBondContact O-N 3.41Å; Y714-L718 PolarHBondContact O-N 2.86Å |
| 715 | L | 97.7 | Very high | 94.5 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -65 | -43.1 | 174.2 | -65.4 | 173.2 | 0 | 0 | 0 | 110.9 | C682 L686 L689 W711 L712 A717 L718 F719 L795 | C682-L715 HydrophobicContact CB-CD2 3.69Å; L686-L715 HydrophobicContact CD2-CD1 3.91Å; L689-L715 HydrophobicContact CD1-CD1 4.08Å; W711-L715 WeakPolarHBondContact O-CG 3.49Å; W711-L715 PolarHBondContact O-N 3.33Å; L712-L715 PolarHBondContact O-N 2.9Å; L715-A717 VanDerWaalsContact C-N 3.33Å; L715-A717 PolarHBondContact O-N 3.06Å; L715-L718 PolarHBondContact O-N 3.44Å; L715-F719 WeakPolarHBondContact O-CD2 3.43Å; L715-F719 PolarHBondContact O-N 2.89Å; L715-L795 HydrophobicContact CB-CD1 3.72Å; L715-L795 HydrophobicContact CB-CD2 3.96Å; L715-L795 HydrophobicContact CB-CG 4.49Å; L715-L795 HydrophobicContact CD1-CD2 3.96Å |
| 716 | A | 97.5 | Very high | 94.6 | Very high | 3 Ų | 3 | 21.1 Ų | 21.1 | 3% | 0.025 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.4 | -40 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L712 D713 L718 F719 R720 L795 F798 | L712-A716 WeakPolarHBondContact O-CB 3.39Å; L712-A716 PolarHBondContact O-N 2.87Å; D713-A716 PolarHBondContact O-N 3.4Å; A716-L718 PolarHBondContact O-N 3.46Å; A716-F719 PolarHBondContact O-N 3.49Å; A716-R720 VanDerWaalsContact O-CB 3.25Å; A716-R720 WeakPolarHBondContact O-CB 3.43Å; A716-R720 PolarHBondContact O-N 2.99Å; A716-L795 HydrophobicContact CB-CB 4.43Å; A716-F798 HydrophobicContact CB-CD2 3.82Å; A716-F798 HydrophobicContact CB-CE2 4.03Å; A716-F798 WeakPolarHBondContact O-CD2 3.28Å |
| 717 | A | 96.5 | Very high | 94.6 | Very high | 12 Ų | 12 | 31.3 Ų | 31.3 | 10% | 0.099 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.7 | -43.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | T642 F645 D713 Y714 L715 T721 | T642-A717 HydrophobicContact CG2-CB 4.29Å; F645-A717 HydrophobicContact CB-CB 4.15Å; D713-A717 WeakPolarHBondContact O-CB 3.38Å; D713-A717 PolarHBondContact O-N 2.89Å; Y714-A717 PolarHBondContact O-N 3.41Å; L715-A717 VanDerWaalsContact C-N 3.33Å; L715-A717 PolarHBondContact O-N 3.06Å; A717-T721 WeakPolarHBondContact O-CG2 3.4Å |
| 718 | L | 96.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.8 | -57.3 | 173.2 | -75.3 | 167.6 | 0 | 0 | 0 | 111.7 | F645 I648 I681 Y714 L715 A716 R720 T721 F722 | F645-L718 HydrophobicContact CB-CD2 4.42Å; F645-L718 HydrophobicContact CB-CG 4.15Å; F645-L718 HydrophobicContact CD1-CD1 3.7Å; F645-L718 HydrophobicContact CD1-CD2 4.21Å; F645-L718 HydrophobicContact CD1-CG 3.82Å; F645-L718 HydrophobicContact CE1-CD1 4.23Å; F645-L718 HydrophobicContact CG-CG 4.43Å; F645-L718 VanDerWaalsContact O-CD2 3.26Å; F645-L718 WeakPolarHBondContact O-CD2 3.29Å; I648-L718 HydrophobicContact CG2-CD2 4.5Å; I681-L718 HydrophobicContact CG1-CD1 4.39Å; I681-L718 HydrophobicContact CG2-CD1 3.8Å; I681-L718 HydrophobicContact CG2-CD2 4.28Å; Y714-L718 PolarHBondContact O-N 2.86Å; L715-L718 PolarHBondContact O-N 3.44Å; A716-L718 PolarHBondContact O-N 3.46Å; L718-R720 VanDerWaalsContact C-N 3.25Å; L718-R720 PolarHBondContact O-N 3.28Å; L718-T721 PolarHBondContact O-N 2.96Å; L718-T721 PolarHBondContact O-OG1 3.27Å; L718-F722 HydrophobicContact CB-CE2 4.24Å; L718-F722 HydrophobicContact CB-CZ 4.38Å; L718-F722 HydrophobicContact CD2-CZ 4.24Å; L718-F722 WeakPolarHBondContact O-CG 3.26Å; L718-F722 PolarHBondContact O-N 2.85Å |
| 719 | F | 96.9 | Very high | 94 | Very high | 3 Ų | 3 | 35.2 Ų | 35.2 | 1% | 0.013 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.2 | -28.7 | -175.4 | -81.1 | -74.2 | 0 | 0 | 0 | 113.4 | L715 A716 T721 F722 V767 I771 L795 F798 I799 C802 F803 | L715-F719 WeakPolarHBondContact O-CD2 3.43Å; L715-F719 PolarHBondContact O-N 2.89Å; A716-F719 PolarHBondContact O-N 3.49Å; F719-T721 VanDerWaalsContact C-N 3.3Å; F719-T721 PolarHBondContact O-N 3.43Å; F719-F722 AromaticContact CD1-CD2 3.95Å; F719-F722 HydrophobicContact CD1-CD2 3.95Å; F719-F722 HydrophobicContact CE1-CD2 4.17Å; F719-F722 HydrophobicContact CG-CD2 4.45Å; F719-F722 PolarHBondContact O-N 3.27Å; F719-V767 HydrophobicContact CE1-CG2 4.28Å; F719-V767 HydrophobicContact CZ-CG2 4.33Å; F719-I771 HydrophobicContact CE2-CD1 3.83Å; F719-I771 HydrophobicContact CZ-CD1 3.48Å; F719-I771 VanDerWaalsContact CZ-CD1 3.48Å; F719-L795 HydrophobicContact CD2-CD1 3.75Å; F719-L795 HydrophobicContact CE2-CD1 4.46Å; F719-L795 HydrophobicContact CG-CD1 4.46Å; F719-F798 HydrophobicContact CB-CB 3.75Å; F719-I799 HydrophobicContact CB-CG1 4.38Å; F719-I799 HydrophobicContact CD1-CG1 3.8Å; F719-I799 HydrophobicContact CD2-CD1 4.44Å; F719-I799 HydrophobicContact CD2-CG1 3.92Å; F719-I799 HydrophobicContact CE1-CG1 4.06Å; F719-I799 HydrophobicContact CE2-CD1 4.4Å; F719-I799 HydrophobicContact CE2-CG1 4.17Å; F719-I799 HydrophobicContact CG-CG1 3.74Å; F719-I799 HydrophobicContact CZ-CG1 4.24Å; F719-C802 HydrophobicContact CD1-CB 4.49Å; F719-F803 HydrophobicContact CD1-CE2 4.42Å; F719-F803 AromaticContact CE1-CE2 3.92Å; F719-F803 HydrophobicContact CE1-CE2 3.92Å; F719-F803 HydrophobicContact CE1-CZ 4.47Å |
| 720 | R | 96.8 | Very high | 93 | Very high | 122 Ų | 122 | 34.2 Ų | 34.2 | 46% | 0.46 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -57.3 | -43.9 | 170.8 | 179.1 | 178.8 | -178.3 | 149.9 | 2 | 111.4 | A716 L718 F722 N723 F798 D931 | A716-R720 VanDerWaalsContact O-CB 3.25Å; A716-R720 WeakPolarHBondContact O-CB 3.43Å; A716-R720 PolarHBondContact O-N 2.99Å; L718-R720 VanDerWaalsContact C-N 3.25Å; L718-R720 PolarHBondContact O-N 3.28Å; R720-F722 VanDerWaalsContact C-N 3.31Å; R720-F722 PolarHBondContact O-N 2.89Å; R720-N723 WeakPolarHBondContact O-CB 3.49Å; R720-N723 PolarHBondContact O-N 3.35Å; R720-F798 HydrophobicContact CB-CD1 3.77Å; R720-F798 HydrophobicContact CB-CD2 4.22Å; R720-F798 HydrophobicContact CB-CE1 3.62Å; R720-F798 HydrophobicContact CB-CE2 4.08Å; R720-F798 HydrophobicContact CB-CG 4.06Å; R720-F798 HydrophobicContact CB-CZ 3.78Å; R720-F798 HydrophobicContact CG-CD1 4.11Å; R720-F798 HydrophobicContact CG-CE1 3.54Å; R720-F798 HydrophobicContact CG-CZ 3.8Å; R720-D931 IonicContact CZ-OD1 2.71Å; R720-D931 IonicContact NH1-OD1 2.92Å; R720-D931 PolarHBondContact NH1-OD1 3.46Å; R720-D931 IonicContact NH2-OD1 2.67Å; R720-D931 PolarHBondContact NH2-OD1 3.45Å; R720-D931 VanDerWaalsContact NH2-OD1 3.12Å |
| 721 | T | 95.1 | Very high | 91.6 | Very high | 20 Ų | 20 | 38.6 Ų | 38.6 | 12% | 0.123 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -72.7 | -25.7 | 179.4 | 67.5 | 0 | 0 | 0 | 0 | 113 | A646 G649 R650 M653 A717 L718 F719 N723 | A646-T721 HydrophobicContact CB-CG2 3.98Å; A646-T721 WeakPolarHBondContact O-CG2 3.46Å; G649-T721 WeakPolarHBondContact CA-OG1 3.24Å; R650-T721 HydrophobicContact CG-CG2 4.06Å; M653-T721 WeakPolarHBondContact CG-O 3.3Å; A717-T721 WeakPolarHBondContact O-CG2 3.4Å; L718-T721 PolarHBondContact O-N 2.96Å; L718-T721 PolarHBondContact O-OG1 3.27Å; F719-T721 VanDerWaalsContact C-N 3.3Å; F719-T721 PolarHBondContact O-N 3.43Å; T721-N723 PolarHBondContact O-N 2.96Å |
| 722 | F | 95.1 | Very high | 89.6 | Confident | 3 Ų | 3 | 39.6 Ų | 39.6 | 1% | 0.013 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -76.3 | -1.4 | 178.2 | -58.8 | -19 | 0 | 0 | 0 | 113.8 | L652 M653 F674 V678 L718 F719 R720 C724 L725 C802 | L652-F722 HydrophobicContact CB-CE1 4.45Å; L652-F722 HydrophobicContact CD1-CZ 4.3Å; M653-F722 HydrophobicContact CG-CD1 3.77Å; M653-F722 HydrophobicContact CG-CE1 4.38Å; M653-F722 HydrophobicContact SD-CB 4.2Å; M653-F722 HydrophobicContact SD-CD1 3.44Å; M653-F722 WeakPolarHBondContact SD-CD1 3.39Å; M653-F722 HydrophobicContact SD-CE1 4.14Å; M653-F722 HydrophobicContact SD-CG 4.13Å; F674-F722 HydrophobicContact CZ-CE1 4.32Å; F674-F722 HydrophobicContact CZ-CZ 4.44Å; V678-F722 HydrophobicContact CG1-CE2 4.04Å; V678-F722 HydrophobicContact CG2-CE2 3.98Å; V678-F722 HydrophobicContact CG2-CZ 3.92Å; L718-F722 HydrophobicContact CB-CE2 4.24Å; L718-F722 HydrophobicContact CB-CZ 4.38Å; L718-F722 HydrophobicContact CD2-CZ 4.24Å; L718-F722 WeakPolarHBondContact O-CG 3.26Å; L718-F722 PolarHBondContact O-N 2.85Å; F719-F722 AromaticContact CD1-CD2 3.95Å; F719-F722 HydrophobicContact CD1-CD2 3.95Å; F719-F722 HydrophobicContact CE1-CD2 4.17Å; F719-F722 HydrophobicContact CG-CD2 4.45Å; F719-F722 PolarHBondContact O-N 3.27Å; R720-F722 VanDerWaalsContact C-N 3.31Å; R720-F722 PolarHBondContact O-N 2.89Å; F722-C724 PolarHBondContact O-N 3.49Å; F722-L725 WeakPolarHBondContact O-CB 3.46Å; F722-L725 PolarHBondContact O-N 3.33Å; F722-C802 HydrophobicContact CB-CB 4.43Å; F722-C802 WeakPolarHBondContact CB-SG 3.3Å; F722-C802 PolarHBondContact O-SG 3.19Å; F722-C802 VanDerWaalsContact O-SG 3.32Å |
| 723 | N | 91.2 | Very high | 87.2 | Confident | 97 Ų | 97 | 44.2 Ų | 44.2 | 52% | 0.519 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -53.3 | -22.9 | 177.7 | -167.6 | 40.7 | 0 | 0 | 0 | 114.4 | R720 T721 R801 | R720-N723 WeakPolarHBondContact O-CB 3.49Å; R720-N723 PolarHBondContact O-N 3.35Å; T721-N723 PolarHBondContact O-N 2.96Å; N723-R801 WeakPolarHBondContact OD1-CB 3.39Å; N723-R801 PolarHBondContact OD1-O 3Å |
| 724 | C | 90.7 | Very high | 84.5 | Confident | 36 Ų | 36 | 45 Ų | 45 | 24% | 0.243 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -94.6 | 8.2 | 176.4 | 68.3 | 0 | 0 | 0 | 0 | 114.9 | F722 L726 R727 R728 | F722-C724 PolarHBondContact O-N 3.49Å; C724-L726 PolarHBondContact O-N 3.08Å; C724-R727 WeakPolarHBondContact O-CB 3.31Å; C724-R727 PolarHBondContact O-N 3.38Å; C724-R728 WeakPolarHBondContact O-CG 3.37Å; C724-R728 PolarHBondContact O-N 3.49Å |
| 725 | L | 92.9 | Very high | 81.6 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -55.5 | -53.9 | -174.3 | 178.1 | 64.6 | 0 | 0 | 0 | 113.3 | M653 V656 F674 F722 R727 R728 L729 F803 | M653-L725 HydrophobicContact CE-CB 3.85Å; M653-L725 HydrophobicContact CE-CD1 3.7Å; M653-L725 HydrophobicContact CE-CG 4.41Å; M653-L725 HydrophobicContact SD-CB 4.32Å; M653-L725 HydrophobicContact SD-CD1 4.21Å; V656-L725 HydrophobicContact CG2-CD1 4.44Å; F674-L725 HydrophobicContact CE1-CD1 4.07Å; F674-L725 HydrophobicContact CZ-CD1 4Å; F722-L725 WeakPolarHBondContact O-CB 3.46Å; F722-L725 PolarHBondContact O-N 3.33Å; L725-R727 VanDerWaalsContact C-N 3.29Å; L725-R727 PolarHBondContact O-N 3.16Å; L725-R728 PolarHBondContact O-N 3.26Å; L725-R728 VanDerWaalsContact O-N 3.07Å; L725-L729 HydrophobicContact CD1-CD1 3.9Å; L725-L729 HydrophobicContact CD1-CG 4.02Å; L725-L729 HydrophobicContact CG-CD1 4.06Å; L725-L729 HydrophobicContact CG-CG 4.49Å; L725-L729 WeakPolarHBondContact O-CG 3.47Å; L725-L729 PolarHBondContact O-N 3.25Å; L725-F803 HydrophobicContact CD2-CD1 4.44Å; L725-F803 HydrophobicContact CD2-CE1 3.8Å; L725-F803 HydrophobicContact CD2-CZ 4.24Å |
| 726 | L | 91 | Very high | 78.4 | Confident | 42 Ų | 42 | 58.9 Ų | 58.9 | 22% | 0.22 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.8 | -42.1 | 179.6 | -59.7 | 177.6 | 0 | 0 | 0 | 111.7 | C724 R728 L729 G730 L760 | C724-L726 PolarHBondContact O-N 3.08Å; L726-R728 VanDerWaalsContact C-N 3.31Å; L726-R728 PolarHBondContact O-N 3.08Å; L726-L729 PolarHBondContact O-N 3.17Å; L726-G730 PolarHBondContact O-N 3.26Å; L726-L760 HydrophobicContact CD2-CD1 3.76Å; L726-L760 HydrophobicContact CD2-CD2 4.13Å |
| 727 | R | 88.3 | Confident | 75.4 | Confident | 220 Ų | 220 | 66.7 Ų | 66.7 | 83% | 0.83 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -61.5 | -39.7 | 176.9 | -168.6 | -172 | -58.9 | 178.5 | 1 | 111.8 | C724 L725 G730 | C724-R727 WeakPolarHBondContact O-CB 3.31Å; C724-R727 PolarHBondContact O-N 3.38Å; L725-R727 VanDerWaalsContact C-N 3.29Å; L725-R727 PolarHBondContact O-N 3.16Å; R727-G730 PolarHBondContact O-N 3Å |
| 728 | R | 87.2 | Confident | 72.4 | Confident | 79 Ų | 79 | 73.7 Ų | 73.7 | 30% | 0.298 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -78.7 | -30.5 | -177.9 | -73.2 | -168.5 | 175.4 | -98.4 | 5 | 114 | M653 V656 G657 C724 L725 L726 G730 | M653-R728 HydrophobicContact CE-CB 4.18Å; M653-R728 HydrophobicContact CE-CG 4.34Å; M653-R728 WeakPolarHBondContact O-CD 3.24Å; V656-R728 HydrophobicContact CG2-CB 4.48Å; G657-R728 WeakPolarHBondContact CA-O 3.49Å; C724-R728 WeakPolarHBondContact O-CG 3.37Å; C724-R728 PolarHBondContact O-N 3.49Å; L725-R728 PolarHBondContact O-N 3.26Å; L725-R728 VanDerWaalsContact O-N 3.07Å; L726-R728 VanDerWaalsContact C-N 3.31Å; L726-R728 PolarHBondContact O-N 3.08Å; R728-G730 PolarHBondContact O-N 3.36Å |
| 729 | L | 87.2 | Confident | 69.5 | Low | 9 Ų | 9 | 79.7 Ų | 79.7 | 5% | 0.047 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -70.3 | -19.1 | 172 | -68.4 | 179.2 | 0 | 0 | 0 | 112.1 | V656 R671 L725 L726 A756 C759 L760 | V656-L729 HydrophobicContact CB-CD2 4.4Å; R671-L729 HydrophobicContact CG-CD2 4.33Å; L725-L729 HydrophobicContact CD1-CD1 3.9Å; L725-L729 HydrophobicContact CD1-CG 4.02Å; L725-L729 HydrophobicContact CG-CD1 4.06Å; L725-L729 HydrophobicContact CG-CG 4.49Å; L725-L729 WeakPolarHBondContact O-CG 3.47Å; L725-L729 PolarHBondContact O-N 3.25Å; L726-L729 PolarHBondContact O-N 3.17Å; L729-A756 HydrophobicContact CB-CB 4.23Å; L729-A756 HydrophobicContact CD2-CB 4.39Å; L729-A756 WeakPolarHBondContact O-CB 3.32Å; L729-C759 HydrophobicContact CD2-CB 4.29Å; L729-L760 HydrophobicContact CD1-CB 3.92Å; L729-L760 HydrophobicContact CD1-CD1 4.46Å |
| 730 | G | 75.1 | Confident | 66.4 | Low | 34 Ų | 34 | 90.5 Ų | 90.5 | 35% | 0.351 | 45% | 0.454 | S | S | . | . | trans | 80.4 | 178.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | L726 R727 R728 P732 | L726-G730 PolarHBondContact O-N 3.26Å; R727-G730 PolarHBondContact O-N 3Å; R728-G730 PolarHBondContact O-N 3.36Å; G730-P732 WeakPolarHBondContact O-CD 3.33Å; G730-P732 VanDerWaalsContact O-N 3.15Å | ||
| 731 | N | 62.4 | Low | 63.6 | Low | 95 Ų | 95 | 93.2 Ų | 93.2 | 51% | 0.508 | 47% | 0.472 | S | S | . | . | trans | -73.5 | 104.7 | 178.9 | -168.7 | -10.9 | 0 | 0 | 0 | 109.5 | S733 | N731-S733 PolarHBondContact O-N 3.28Å; N731-S733 VanDerWaalsContact O-N 3.08Å; N731-S733 PolarHBondContact OD1-N 3.42Å; N731-S733 PolarHBondContact OD1-OG 3.45Å | ||
| 732 | P | 53.7 | Low | 60.7 | Low | 23 Ų | 23 | 102.1 Ų | 102.1 | 15% | 0.149 | 50% | 0.503 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -6.1 | -179.3 | -6.1 | 25.6 | 0 | 0 | 0 | 111.1 | G730 Q757 L760 | G730-P732 WeakPolarHBondContact O-CD 3.33Å; G730-P732 VanDerWaalsContact O-N 3.15Å; P732-Q757 HydrophobicContact CB-CG 3.74Å; P732-Q757 PolarHBondContact O-NE2 3.46Å; P732-L760 HydrophobicContact CG-CD2 4.07Å |
| 733 | S | 47.1 | Very low | 58 | Low | 98 Ų | 98 | 109 Ų | 109 | 69% | 0.685 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.3 | -0 | -172.9 | 65.1 | 0 | 0 | 0 | 0 | 115.3 | N731 S735 | N731-S733 PolarHBondContact O-N 3.28Å; N731-S733 VanDerWaalsContact O-N 3.08Å; N731-S733 PolarHBondContact OD1-N 3.42Å; N731-S733 PolarHBondContact OD1-OG 3.45Å; S733-S735 PolarHBondContact O-N 2.94Å |
| 734 | S | 39.6 | Very low | 55.9 | Low | 44 Ų | 44 | 109.1 Ų | 109.1 | 31% | 0.308 | 56% | 0.555 | S | S | . | * | trans | -81.7 | 101 | 179.1 | 69.5 | 0 | 0 | 0 | 0 | 112.3 | Q736 | S734-Q736 PolarHBondContact O-N 2.89Š| ||
| 735 | S | 35.1 | Very low | 53.9 | Low | 119 Ų | 119 | 111.8 Ų | 111.8 | 83% | 0.832 | 57% | 0.57 | S | S | * | * | trans | -82.7 | 23.5 | 165.2 | 65.8 | 0 | 0 | 0 | 0 | 113.3 | S733 | S733-S735 PolarHBondContact O-N 2.94Š| ||
| 736 | Q | 30.5 | Very low | 52 | Low | 176 Ų | 176 | 117.2 Ų | 117.2 | 82% | 0.822 | 60% | 0.599 | S | S | * | * | trans | -117.7 | 80.4 | 179.3 | -86.1 | -175 | -9.8 | 0 | 0 | 110.2 | S734 | S734-Q736 PolarHBondContact O-N 2.89Š| ||
| 737 | W | 33.8 | Very low | 50.2 | Low | 167 Ų | 167 | 124.9 Ų | 124.9 | 63% | 0.633 | 63% | 0.625 | S | S | * | * | trans | -102.7 | 121.5 | 147.9 | -76.7 | -65.7 | 0 | 0 | 0 | 107.6 | T739 T749 V753 | W737-T739 PolarHBondContact O-N 3.05Å; W737-T749 HydrophobicContact CD2-CG2 4.07Å; W737-T749 HydrophobicContact CE3-CG2 3.72Å; W737-T749 HydrophobicContact CH2-CG2 3.54Å; W737-T749 HydrophobicContact CZ2-CG2 3.9Å; W737-T749 HydrophobicContact CZ3-CG2 3.45Å; W737-T749 VanDerWaalsContact CZ3-CG2 3.45Å; W737-V753 HydrophobicContact CH2-CG2 3.46Å; W737-V753 VanDerWaalsContact CH2-CG2 3.46Å; W737-V753 HydrophobicContact CZ3-CG2 3.75Å | ||
| 738 | D | 34.3 | Very low | 48.8 | Very low | 160 Ų | 160 | 118.2 Ų | 118.2 | 86% | 0.856 | 61% | 0.609 | S | S | * | * | trans | -51 | 134.5 | -178.8 | -100.5 | -45.1 | 0 | 0 | 0 | 112.5 | R740 | D738-R740 PolarHBondContact O-N 3.34Š| ||
| 739 | T | 34.7 | Very low | 47.6 | Very low | 125 Ų | 125 | 116.6 Ų | 116.6 | 77% | 0.767 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -63.6 | 63.1 | 177.8 | 25.4 | 0 | 0 | 0 | 0 | 114.1 | W737 | W737-T739 PolarHBondContact O-N 3.05Š|
| 740 | R | 32.9 | Very low | 46.8 | Very low | 231 Ų | 231 | 119.3 Ų | 119.3 | 87% | 0.872 | 63% | 0.628 | S | S | * | * | trans | -151 | 83 | 166.3 | -69.7 | -166.6 | 175.8 | 168.3 | -0.9 | 112.5 | D738 | D738-R740 PolarHBondContact O-N 3.34Š| ||
| 741 | E | 38.5 | Very low | 47.1 | Very low | 178 Ų | 178 | 121.9 Ų | 121.9 | 83% | 0.832 | 63% | 0.631 | S | S | * | * | trans | 158.6 | 78.4 | 141.5 | -88.2 | 178.6 | -177.8 | 0 | 0 | 109.9 | N743 | E741-N743 PolarHBondContact O-N 3.03Š| ||
| 742 | R | 34.2 | Very low | 48.1 | Very low | 207 Ų | 207 | 120.1 Ų | 120.1 | 78% | 0.781 | 62% | 0.62 | S | S | * | * | trans | -74.3 | 109.2 | 167.2 | -76 | 177.1 | -180 | 166.7 | 0.8 | 108.2 | ||||
| 743 | N | 38.2 | Very low | 49.6 | Very low | 147 Ų | 147 | 120.7 Ų | 120.7 | 79% | 0.786 | 62% | 0.623 | S | S | * | * | S | Bend | 167.6 | 126.4 | 129.3 | -77 | -28.4 | 0 | 0 | 0 | 109.2 | E741 V745 | E741-N743 PolarHBondContact O-N 3.03Å; N743-V745 PolarHBondContact O-N 3.26Å | |
| 744 | A | 45.7 | Very low | 51.5 | Low | 101 Ų | 101 | 120 Ų | 120 | 84% | 0.835 | 61% | 0.611 | S | S | * | * | S | Bend | trans | 76.5 | -24.7 | -177 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||
| 745 | V | 50.5 | Low | 54 | Low | 91 Ų | 91 | 118.7 Ų | 118.7 | 55% | 0.552 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -85.1 | -12.1 | -176.6 | -174.7 | 0 | 0 | 0 | 0 | 114.4 | N743 R747 T748 T749 | N743-V745 PolarHBondContact O-N 3.26Å; V745-R747 PolarHBondContact O-N 3.02Å; V745-T748 PolarHBondContact O-OG1 3.32Å; V745-T749 PolarHBondContact O-OG1 2.59Å |
| 746 | D | 52.1 | Low | 56.7 | Low | 116 Ų | 116 | 113.2 Ų | 113.2 | 62% | 0.62 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -73.4 | -26.4 | -175.8 | -92.9 | -26.2 | 0 | 0 | 0 | 115.2 | S750 | D746-S750 WeakPolarHBondContact O-CB 3.44Å; D746-S750 PolarHBondContact O-N 3.3Å |
| 747 | R | 53 | Low | 59.6 | Low | 202 Ų | 202 | 108.5 Ų | 108.5 | 76% | 0.762 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -76.9 | -45.1 | -174.6 | -74.6 | -171.5 | 179.1 | -176.1 | -0.3 | 113.1 | V745 S750 E751 | V745-R747 PolarHBondContact O-N 3.02Å; R747-S750 PolarHBondContact O-N 3.35Å; R747-E751 WeakPolarHBondContact O-CG 3.23Å; R747-E751 PolarHBondContact O-N 3.13Å |
| 748 | T | 59 | Low | 62.5 | Low | 80 Ų | 80 | 104.7 Ų | 104.7 | 49% | 0.491 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.5 | -39.7 | -177.9 | 42.3 | 0 | 0 | 0 | 0 | 111.7 | V745 E751 M752 | V745-T748 PolarHBondContact O-OG1 3.32Å; T748-E751 PolarHBondContact O-N 3.41Å; T748-M752 WeakPolarHBondContact O-CB 3.41Å; T748-M752 PolarHBondContact O-N 3.39Å |
| 749 | T | 61.8 | Low | 65.3 | Low | 46 Ų | 46 | 97.2 Ų | 97.2 | 28% | 0.282 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.8 | -41.9 | 175.7 | -47.1 | 0 | 0 | 0 | 0 | 111.2 | W737 V745 M752 V753 | W737-T749 HydrophobicContact CD2-CG2 4.07Å; W737-T749 HydrophobicContact CE3-CG2 3.72Å; W737-T749 HydrophobicContact CH2-CG2 3.54Å; W737-T749 HydrophobicContact CZ2-CG2 3.9Å; W737-T749 HydrophobicContact CZ3-CG2 3.45Å; W737-T749 VanDerWaalsContact CZ3-CG2 3.45Å; V745-T749 PolarHBondContact O-OG1 2.59Å; T749-M752 PolarHBondContact O-N 3Å; T749-V753 WeakPolarHBondContact O-CG2 3.46Å; T749-V753 PolarHBondContact O-N 2.95Å |
| 750 | S | 70.7 | Confident | 68.2 | Low | 66 Ų | 66 | 91.7 Ų | 91.7 | 46% | 0.462 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.6 | -44.7 | 174.9 | -172.5 | 0 | 0 | 0 | 0 | 112.4 | D746 R747 M752 V753 L754 | D746-S750 WeakPolarHBondContact O-CB 3.44Å; D746-S750 PolarHBondContact O-N 3.3Å; R747-S750 PolarHBondContact O-N 3.35Å; S750-M752 VanDerWaalsContact C-N 3.34Å; S750-M752 PolarHBondContact O-N 2.95Å; S750-V753 PolarHBondContact O-N 3.35Å; S750-L754 VanDerWaalsContact O-CG 3.28Å; S750-L754 WeakPolarHBondContact O-CG 3.5Å; S750-L754 PolarHBondContact O-N 3.4Å |
| 751 | E | 81.6 | Confident | 71.1 | Confident | 88 Ų | 88 | 83.4 Ų | 83.4 | 41% | 0.411 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.7 | -35.4 | 179 | -73.5 | 172.9 | -173 | 0 | 0 | 112.4 | R668 R747 T748 S755 | R668-E751 IonicContact CZ-OE2 3.43Å; R668-E751 IonicContact NH1-OE2 3.68Å; R668-E751 PolarHBondContact NH1-OE2 3.09Å; R747-E751 WeakPolarHBondContact O-CG 3.23Å; R747-E751 PolarHBondContact O-N 3.13Å; T748-E751 PolarHBondContact O-N 3.41Å; E751-S755 WeakPolarHBondContact O-CB 3.17Å; E751-S755 PolarHBondContact O-N 3.22Å |
| 752 | M | 82.8 | Confident | 73.9 | Confident | 57 Ų | 57 | 79.2 Ų | 79.2 | 28% | 0.281 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -65.8 | -42.4 | 177.3 | -166.5 | 77.7 | 73.9 | 0 | 0 | 112 | T658 P667 R671 T748 T749 S750 A756 | T658-M752 HydrophobicContact CG2-CE 4.34Å; T658-M752 HydrophobicContact CG2-CG 4.44Å; T658-M752 HydrophobicContact CG2-SD 3.91Å; P667-M752 HydrophobicContact CG-SD 3.75Å; R671-M752 PolarHBondContact NH1-O 2.81Å; T748-M752 WeakPolarHBondContact O-CB 3.41Å; T748-M752 PolarHBondContact O-N 3.39Å; T749-M752 PolarHBondContact O-N 3Å; S750-M752 VanDerWaalsContact C-N 3.34Å; S750-M752 PolarHBondContact O-N 2.95Å; M752-A756 PolarHBondContact O-N 3.06Å; M752-A756 VanDerWaalsContact O-N 3.15Å |
| 753 | V | 84.6 | Confident | 76.9 | Confident | 35 Ų | 35 | 69.6 Ų | 69.6 | 21% | 0.212 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -66.5 | -46.9 | 176.6 | 172.9 | 0 | 0 | 0 | 0 | 110.7 | W737 T749 S750 S755 A756 Q757 | W737-V753 HydrophobicContact CH2-CG2 3.46Å; W737-V753 VanDerWaalsContact CH2-CG2 3.46Å; W737-V753 HydrophobicContact CZ3-CG2 3.75Å; T749-V753 WeakPolarHBondContact O-CG2 3.46Å; T749-V753 PolarHBondContact O-N 2.95Å; S750-V753 PolarHBondContact O-N 3.35Å; V753-S755 VanDerWaalsContact C-N 3.35Å; V753-S755 PolarHBondContact O-N 3.05Å; V753-A756 WeakPolarHBondContact O-CB 3.45Å; V753-A756 PolarHBondContact O-N 3.33Å; V753-A756 VanDerWaalsContact O-N 3.12Å; V753-Q757 HydrophobicContact CG1-CG 4.29Å; V753-Q757 WeakPolarHBondContact O-CG 3.49Å; V753-Q757 PolarHBondContact O-N 3.41Å |
| 754 | L | 88.7 | Confident | 79.6 | Confident | 83 Ų | 83 | 64.5 Ų | 64.5 | 44% | 0.435 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -57.8 | -47.9 | 177.1 | -71.4 | 170.5 | 0 | 0 | 0 | 111 | S750 A756 Q757 D758 | S750-L754 VanDerWaalsContact O-CG 3.28Å; S750-L754 WeakPolarHBondContact O-CG 3.5Å; S750-L754 PolarHBondContact O-N 3.4Å; L754-A756 VanDerWaalsContact C-N 3.26Å; L754-A756 PolarHBondContact O-N 3.02Å; L754-Q757 PolarHBondContact O-N 3Å; L754-Q757 VanDerWaalsContact O-N 3.12Å; L754-D758 WeakPolarHBondContact O-CB 3.25Å; L754-D758 PolarHBondContact O-N 3.19Å |
| 755 | S | 91.7 | Very high | 82 | Confident | 18 Ų | 18 | 64.3 Ų | 64.3 | 13% | 0.126 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -59.2 | -34.4 | 176.6 | 172.7 | 0 | 0 | 0 | 0 | 113.7 | R671 E751 V753 C759 | R671-S755 WeakPolarHBondContact CB-OG 3.5Å; R671-S755 VanDerWaalsContact CD-OG 3.26Å; R671-S755 WeakPolarHBondContact CD-OG 3.42Å; E751-S755 WeakPolarHBondContact O-CB 3.17Å; E751-S755 PolarHBondContact O-N 3.22Å; V753-S755 VanDerWaalsContact C-N 3.35Å; V753-S755 PolarHBondContact O-N 3.05Å; S755-C759 VanDerWaalsContact O-CB 3.26Å; S755-C759 WeakPolarHBondContact O-CB 3.46Å; S755-C759 PolarHBondContact O-N 3.43Å; S755-C759 VanDerWaalsContact O-N 3.15Å |
| 756 | A | 91.5 | Very high | 84.2 | Confident | 3 Ų | 3 | 61 Ų | 61 | 3% | 0.025 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -72.8 | -41.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L729 M752 V753 L754 L760 | L729-A756 HydrophobicContact CB-CB 4.23Å; L729-A756 HydrophobicContact CD2-CB 4.39Å; L729-A756 WeakPolarHBondContact O-CB 3.32Å; M752-A756 PolarHBondContact O-N 3.06Å; M752-A756 VanDerWaalsContact O-N 3.15Å; V753-A756 WeakPolarHBondContact O-CB 3.45Å; V753-A756 PolarHBondContact O-N 3.33Å; V753-A756 VanDerWaalsContact O-N 3.12Å; L754-A756 VanDerWaalsContact C-N 3.26Å; L754-A756 PolarHBondContact O-N 3.02Å; A756-L760 WeakPolarHBondContact O-CB 3.48Å; A756-L760 PolarHBondContact O-N 2.77Å |
| 757 | Q | 91.6 | Very high | 86.3 | Confident | 77 Ų | 77 | 55.6 Ų | 55.6 | 36% | 0.36 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.8 | -46.1 | 175.8 | -72.8 | 174.9 | -17.3 | 0 | 0 | 111.5 | P732 V753 L754 L760 A761 | P732-Q757 HydrophobicContact CB-CG 3.74Å; P732-Q757 PolarHBondContact O-NE2 3.46Å; V753-Q757 HydrophobicContact CG1-CG 4.29Å; V753-Q757 WeakPolarHBondContact O-CG 3.49Å; V753-Q757 PolarHBondContact O-N 3.41Å; L754-Q757 PolarHBondContact O-N 3Å; L754-Q757 VanDerWaalsContact O-N 3.12Å; Q757-L760 PolarHBondContact O-N 3.15Å; Q757-A761 VanDerWaalsContact O-CB 3.31Å; Q757-A761 WeakPolarHBondContact O-CB 3.36Å; Q757-A761 PolarHBondContact O-N 3.31Å |
| 758 | D | 93.6 | Very high | 88.4 | Confident | 88 Ų | 88 | 51.7 Ų | 51.7 | 47% | 0.471 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.7 | -47.4 | 178.1 | -66.1 | -23.2 | 0 | 0 | 0 | 110.5 | L754 L760 A761 E762 | L754-D758 WeakPolarHBondContact O-CB 3.25Å; L754-D758 PolarHBondContact O-N 3.19Å; D758-L760 PolarHBondContact O-N 3.45Å; D758-A761 PolarHBondContact O-N 3.47Å; D758-E762 WeakPolarHBondContact O-CB 3.22Å; D758-E762 WeakPolarHBondContact O-CG 3.46Å; D758-E762 PolarHBondContact O-N 2.94Å |
| 759 | C | 94.8 | Very high | 90.1 | Very high | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.014 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.3 | -46.3 | 175.6 | 179.9 | 0 | 0 | 0 | 0 | 112.1 | R671 L729 S755 C763 | R671-C759 HydrophobicContact CB-CB 4.08Å; L729-C759 HydrophobicContact CD2-CB 4.29Å; S755-C759 VanDerWaalsContact O-CB 3.26Å; S755-C759 WeakPolarHBondContact O-CB 3.46Å; S755-C759 PolarHBondContact O-N 3.43Å; S755-C759 VanDerWaalsContact O-N 3.15Å; C759-C763 WeakPolarHBondContact O-CB 3.4Å; C759-C763 PolarHBondContact O-N 3.07Å; C759-C763 PolarHBondContact O-SG 2.69Å |
| 760 | L | 94.7 | Very high | 91.8 | Very high | 10 Ų | 10 | 54.9 Ų | 54.9 | 5% | 0.052 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64.4 | -44.5 | 177.4 | -179.4 | 59 | 0 | 0 | 0 | 111.9 | L726 L729 P732 A756 Q757 D758 C763 L764 F803 | L726-L760 HydrophobicContact CD2-CD1 3.76Å; L726-L760 HydrophobicContact CD2-CD2 4.13Å; L729-L760 HydrophobicContact CD1-CB 3.92Å; L729-L760 HydrophobicContact CD1-CD1 4.46Å; P732-L760 HydrophobicContact CG-CD2 4.07Å; A756-L760 WeakPolarHBondContact O-CB 3.48Å; A756-L760 PolarHBondContact O-N 2.77Å; Q757-L760 PolarHBondContact O-N 3.15Å; D758-L760 PolarHBondContact O-N 3.45Å; L760-C763 PolarHBondContact O-N 2.89Å; L760-L764 HydrophobicContact CD1-CD1 4.2Å; L760-L764 HydrophobicContact CD1-CG 4.26Å; L760-L764 HydrophobicContact CG-CD1 4.04Å; L760-L764 WeakPolarHBondContact O-CG 3.09Å; L760-L764 PolarHBondContact O-N 3.18Å; L760-F803 HydrophobicContact CD1-CD1 4.1Å; L760-F803 HydrophobicContact CD1-CE1 4.35Å |
| 761 | A | 94.8 | Very high | 93.1 | Very high | 56 Ų | 56 | 51.8 Ų | 51.8 | 46% | 0.463 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.2 | -46.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q757 D758 C763 L764 Q765 | Q757-A761 VanDerWaalsContact O-CB 3.31Å; Q757-A761 WeakPolarHBondContact O-CB 3.36Å; Q757-A761 PolarHBondContact O-N 3.31Å; D758-A761 PolarHBondContact O-N 3.47Å; A761-C763 PolarHBondContact O-N 3.47Å; A761-L764 PolarHBondContact O-N 3.12Å; A761-Q765 WeakPolarHBondContact O-CB 3.3Å; A761-Q765 PolarHBondContact O-N 2.7Å |
| 762 | E | 96.6 | Very high | 93.8 | Very high | 91 Ų | 91 | 48.1 Ų | 48.1 | 43% | 0.425 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -65.3 | -36.4 | 176.4 | -72.4 | -173.7 | -130.9 | 0 | 0 | 112.2 | P675 D758 Q765 L766 | P675-E762 HydrophobicContact CB-CB 3.79Å; P675-E762 HydrophobicContact CG-CB 3.5Å; P675-E762 HydrophobicContact CG-CG 4.46Å; D758-E762 WeakPolarHBondContact O-CB 3.22Å; D758-E762 WeakPolarHBondContact O-CG 3.46Å; D758-E762 PolarHBondContact O-N 2.94Å; E762-Q765 PolarHBondContact O-N 2.87Å; E762-L766 WeakPolarHBondContact O-CB 3.36Å; E762-L766 PolarHBondContact O-N 2.99Å |
| 763 | C | 96.3 | Very high | 94.4 | Very high | 5 Ų | 5 | 48.2 Ų | 48.2 | 3% | 0.034 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.2 | -42.5 | 174.1 | -71 | 0 | 0 | 0 | 0 | 112.5 | F674 C759 L760 A761 Q765 L766 V767 F803 | F674-C763 WeakPolarHBondContact CD1-SG 3.48Å; F674-C763 VanDerWaalsContact CE1-SG 3.54Å; C759-C763 WeakPolarHBondContact O-CB 3.4Å; C759-C763 PolarHBondContact O-N 3.07Å; C759-C763 PolarHBondContact O-SG 2.69Å; L760-C763 PolarHBondContact O-N 2.89Å; A761-C763 PolarHBondContact O-N 3.47Å; C763-Q765 VanDerWaalsContact C-N 3.31Å; C763-L766 WeakPolarHBondContact O-CB 3.31Å; C763-L766 PolarHBondContact O-N 2.86Å; C763-V767 WeakPolarHBondContact O-CG2 3.47Å; C763-V767 PolarHBondContact O-N 2.67Å; C763-F803 HydrophobicContact CB-CE1 3.83Å; C763-F803 HydrophobicContact CB-CZ 4.11Å |
| 764 | L | 95.8 | Very high | 95 | Very high | 39 Ų | 39 | 47.3 Ų | 47.3 | 20% | 0.204 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64 | -39.2 | 175.3 | -72.8 | 168 | 0 | 0 | 0 | 111.1 | L760 A761 V767 R768 F803 H806 L807 | L760-L764 HydrophobicContact CD1-CD1 4.2Å; L760-L764 HydrophobicContact CD1-CG 4.26Å; L760-L764 HydrophobicContact CG-CD1 4.04Å; L760-L764 WeakPolarHBondContact O-CG 3.09Å; L760-L764 PolarHBondContact O-N 3.18Å; A761-L764 PolarHBondContact O-N 3.12Å; L764-V767 PolarHBondContact O-N 3.03Å; L764-R768 WeakPolarHBondContact O-CB 3.2Å; L764-R768 PolarHBondContact O-N 3.16Å; L764-F803 HydrophobicContact CD2-CB 4.11Å; L764-F803 HydrophobicContact CD2-CD1 3.57Å; L764-F803 HydrophobicContact CD2-CE1 4.18Å; L764-F803 HydrophobicContact CD2-CG 3.92Å; L764-F803 HydrophobicContact CG-CD1 4.15Å; L764-F803 HydrophobicContact CG-CE1 4.43Å; L764-H806 HydrophobicContact CD1-CB 4.12Å; L764-H806 HydrophobicContact CD2-CB 4.23Å; L764-L807 HydrophobicContact CD2-CD2 4.19Å |
| 765 | Q | 96.4 | Very high | 95.4 | Very high | 98 Ų | 98 | 43.5 Ų | 43.5 | 46% | 0.458 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.8 | -46.8 | 173.6 | -172.7 | 178.2 | -5.4 | 0 | 0 | 111.3 | A761 E762 C763 V767 R768 E769 | A761-Q765 WeakPolarHBondContact O-CB 3.3Å; A761-Q765 PolarHBondContact O-N 2.7Å; E762-Q765 PolarHBondContact O-N 2.87Å; C763-Q765 VanDerWaalsContact C-N 3.31Å; Q765-V767 VanDerWaalsContact C-N 3.32Å; Q765-V767 PolarHBondContact O-N 3Å; Q765-R768 PolarHBondContact O-N 3.34Å; Q765-E769 HydrophobicContact CG-CG 4.01Å; Q765-E769 WeakPolarHBondContact CG-OE2 3.25Å; Q765-E769 PolarHBondContact NE2-OE1 3.15Å; Q765-E769 PolarHBondContact NE2-OE2 3.4Å; Q765-E769 WeakPolarHBondContact O-CB 3.38Å; Q765-E769 PolarHBondContact O-N 3.16Å |
| 766 | L | 96.7 | Very high | 95.6 | Very high | 20 Ų | 20 | 43.6 Ų | 43.6 | 11% | 0.105 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56 | -46 | 175.4 | 175.8 | 66.4 | 0 | 0 | 0 | 111.8 | V678 A679 E762 C763 V770 I771 | V678-L766 HydrophobicContact CB-CD2 3.91Å; V678-L766 HydrophobicContact CG1-CD2 3.67Å; A679-L766 HydrophobicContact CB-CD1 3.69Å; A679-L766 HydrophobicContact CB-CD2 4.18Å; E762-L766 WeakPolarHBondContact O-CB 3.36Å; E762-L766 PolarHBondContact O-N 2.99Å; C763-L766 WeakPolarHBondContact O-CB 3.31Å; C763-L766 PolarHBondContact O-N 2.86Å; L766-V770 HydrophobicContact CD1-CB 3.84Å; L766-V770 HydrophobicContact CD1-CG1 4.27Å; L766-V770 HydrophobicContact CD1-CG2 3.81Å; L766-V770 VanDerWaalsContact O-CB 3.32Å; L766-V770 WeakPolarHBondContact O-CB 3.45Å; L766-V770 PolarHBondContact O-N 2.75Å; L766-I771 HydrophobicContact CG-CD1 4.32Å; L766-I771 PolarHBondContact O-N 3.32Å |
| 767 | V | 96.6 | Very high | 95.8 | Very high | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.018 | 24% | 0.241 | C | C | . | . | I | π-helix | trans | -62.5 | -47 | 177.2 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | F719 C763 L764 Q765 I771 W772 I799 F803 L807 | F719-V767 HydrophobicContact CE1-CG2 4.28Å; F719-V767 HydrophobicContact CZ-CG2 4.33Å; C763-V767 WeakPolarHBondContact O-CG2 3.47Å; C763-V767 PolarHBondContact O-N 2.67Å; L764-V767 PolarHBondContact O-N 3.03Å; Q765-V767 VanDerWaalsContact C-N 3.32Å; Q765-V767 PolarHBondContact O-N 3Å; V767-I771 HydrophobicContact CG2-CD1 4.33Å; V767-I771 PolarHBondContact O-N 3.15Å; V767-W772 WeakPolarHBondContact O-CB 3.49Å; V767-W772 PolarHBondContact O-N 2.63Å; V767-I799 HydrophobicContact CG1-CG2 3.89Å; V767-F803 HydrophobicContact CG2-CD2 4.38Å; V767-F803 HydrophobicContact CG2-CE2 3.5Å; V767-F803 HydrophobicContact CG2-CZ 3.73Å; V767-L807 HydrophobicContact CG1-CD2 4.38Å |
| 768 | R | 96 | Very high | 96 | Very high | 121 Ų | 121 | 44 Ų | 44 | 46% | 0.457 | 22% | 0.223 | S | C | . | . | I | π-helix | trans | -69.1 | -42.4 | -176.7 | -174.3 | -177.9 | -70.6 | -178.8 | -2.2 | 113.1 | L764 Q765 P773 D809 | L764-R768 WeakPolarHBondContact O-CB 3.2Å; L764-R768 PolarHBondContact O-N 3.16Å; Q765-R768 PolarHBondContact O-N 3.34Å; R768-P773 WeakPolarHBondContact O-CD 3.15Å; R768-D809 IonicContact NH2-OD2 2.83Å; R768-D809 PolarHBondContact NH2-OD2 3.4Å |
| 769 | E | 95.7 | Very high | 96.1 | Very high | 121 Ų | 121 | 39.8 Ų | 39.8 | 57% | 0.565 | 20% | 0.201 | S | C | * | . | I | π-helix | trans | -97.1 | -23 | -168.5 | -63.1 | -175.1 | 173.2 | 0 | 0 | 113.7 | Q765 | Q765-E769 HydrophobicContact CG-CG 4.01Å; Q765-E769 WeakPolarHBondContact CG-OE2 3.25Å; Q765-E769 PolarHBondContact NE2-OE1 3.15Å; Q765-E769 PolarHBondContact NE2-OE2 3.4Å; Q765-E769 WeakPolarHBondContact O-CB 3.38Å; Q765-E769 PolarHBondContact O-N 3.16Å |
| 770 | V | 96.5 | Very high | 96 | Very high | 71 Ų | 71 | 43.2 Ų | 43.2 | 43% | 0.43 | 22% | 0.222 | S | C | . | . | I | π-helix | trans | -117 | -50.7 | -174.7 | -174.5 | 0 | 0 | 0 | 0 | 112 | L686 L766 | L686-V770 HydrophobicContact CD1-CG1 4.01Å; L766-V770 HydrophobicContact CD1-CB 3.84Å; L766-V770 HydrophobicContact CD1-CG1 4.27Å; L766-V770 HydrophobicContact CD1-CG2 3.81Å; L766-V770 VanDerWaalsContact O-CB 3.32Å; L766-V770 WeakPolarHBondContact O-CB 3.45Å; L766-V770 PolarHBondContact O-N 2.75Å |
| 771 | I | 97.1 | Very high | 96 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | I | π-helix | trans | -82.3 | -50 | -172 | -58.3 | 176.7 | 0 | 0 | 0 | 111.2 | L686 F719 L766 V767 V774 V775 I799 | L686-I771 HydrophobicContact CD1-CG1 4.18Å; F719-I771 HydrophobicContact CE2-CD1 3.83Å; F719-I771 HydrophobicContact CZ-CD1 3.48Å; F719-I771 VanDerWaalsContact CZ-CD1 3.48Å; L766-I771 HydrophobicContact CG-CD1 4.32Å; L766-I771 PolarHBondContact O-N 3.32Å; V767-I771 HydrophobicContact CG2-CD1 4.33Å; V767-I771 PolarHBondContact O-N 3.15Å; I771-V774 PolarHBondContact O-N 3.21Å; I771-V774 VanDerWaalsContact O-N 3.14Å; I771-V775 HydrophobicContact CG2-CG2 4.1Å; I771-V775 WeakPolarHBondContact O-CG2 3.48Å; I771-V775 PolarHBondContact O-N 3.4Å; I771-I799 HydrophobicContact CG2-CD1 4.17Å |
| 772 | W | 96.2 | Very high | 95.9 | Very high | 12 Ų | 12 | 43.9 Ų | 43.9 | 5% | 0.045 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.7 | -39.4 | -176 | -178.4 | -108.3 | 0 | 0 | 0 | 114.3 | V767 V774 V775 T776 I796 L810 E813 L814 K817 | V767-W772 WeakPolarHBondContact O-CB 3.49Å; V767-W772 PolarHBondContact O-N 2.63Å; W772-V774 VanDerWaalsContact C-N 3.32Å; W772-V774 PolarHBondContact O-N 3.26Å; W772-V775 HydrophobicContact CE3-CB 4.27Å; W772-V775 HydrophobicContact CE3-CG1 4.04Å; W772-V775 HydrophobicContact CZ3-CG1 3.88Å; W772-V775 PolarHBondContact O-N 3.25Å; W772-T776 PolarHBondContact NE1-OG1 3.36Å; W772-T776 WeakPolarHBondContact O-CB 3.34Å; W772-T776 PolarHBondContact O-N 3.22Å; W772-T776 PolarHBondContact O-OG1 2.93Å; W772-T776 VanDerWaalsContact O-OG1 3.07Å; W772-I796 HydrophobicContact CZ3-CD1 4.46Å; W772-I796 HydrophobicContact CZ3-CG1 4.34Å; W772-L810 HydrophobicContact CD2-CD1 4.22Å; W772-L810 HydrophobicContact CD2-CD2 3.93Å; W772-L810 HydrophobicContact CD2-CG 4.43Å; W772-L810 HydrophobicContact CE3-CD2 4.11Å; W772-L810 HydrophobicContact CG-CD1 4.13Å; W772-L810 HydrophobicContact CG-CD2 4.15Å; W772-E813 VanDerWaalsContact NE1-CD 3.31Å; W772-E813 PolarHBondContact NE1-OE1 3.45Å; W772-L814 HydrophobicContact CH2-CB 4.05Å; W772-L814 HydrophobicContact CH2-CD1 3.45Å; W772-L814 VanDerWaalsContact CH2-CD1 3.45Å; W772-L814 HydrophobicContact CH2-CG 4.31Å; W772-L814 HydrophobicContact CZ2-CB 4.34Å; W772-L814 HydrophobicContact CZ2-CD1 4.46Å; W772-L814 HydrophobicContact CZ3-CD1 3.99Å; W772-K817 HydrophobicContact CZ2-CG 4.49Å |
| 773 | P | 96.5 | Very high | 95.7 | Very high | 59 Ų | 59 | 40.2 Ų | 40.2 | 38% | 0.383 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -59.9 | -39.4 | 174.9 | -26.9 | 37.3 | 0 | 0 | 0 | 113.2 | R768 R777 | R768-P773 WeakPolarHBondContact O-CD 3.15Å; P773-R777 VanDerWaalsContact O-CG 3.31Å; P773-R777 WeakPolarHBondContact O-CG 3.48Å; P773-R777 PolarHBondContact O-N 2.96Å; P773-R777 VanDerWaalsContact O-N 3.13Å |
| 774 | V | 97.4 | Very high | 95.4 | Very high | 15 Ų | 15 | 44 Ų | 44 | 9% | 0.091 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.5 | -43.4 | 176.4 | -178.4 | 0 | 0 | 0 | 0 | 110.5 | L686 L689 M693 I771 W772 T776 R777 V778 | L686-V774 HydrophobicContact CD2-CB 4.02Å; L686-V774 HydrophobicContact CD2-CG1 4.12Å; L686-V774 HydrophobicContact CD2-CG2 4.16Å; L689-V774 HydrophobicContact CB-CG1 3.95Å; L689-V774 HydrophobicContact CD1-CG1 4.29Å; M693-V774 HydrophobicContact CE-CG1 4.11Å; I771-V774 PolarHBondContact O-N 3.21Å; I771-V774 VanDerWaalsContact O-N 3.14Å; W772-V774 VanDerWaalsContact C-N 3.32Å; W772-V774 PolarHBondContact O-N 3.26Å; V774-T776 VanDerWaalsContact C-N 3.34Å; V774-T776 PolarHBondContact O-N 2.62Å; V774-R777 WeakPolarHBondContact O-CB 3.46Å; V774-R777 PolarHBondContact O-N 3.32Å; V774-V778 WeakPolarHBondContact O-CG2 3.48Å; V774-V778 PolarHBondContact O-N 3.29Å |
| 775 | V | 96.9 | Very high | 95.2 | Very high | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.018 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.7 | -43.5 | 176.2 | 171.1 | 0 | 0 | 0 | 0 | 111.7 | I771 W772 R777 V778 L779 V792 L795 I796 | I771-V775 HydrophobicContact CG2-CG2 4.1Å; I771-V775 WeakPolarHBondContact O-CG2 3.48Å; I771-V775 PolarHBondContact O-N 3.4Å; W772-V775 HydrophobicContact CE3-CB 4.27Å; W772-V775 HydrophobicContact CE3-CG1 4.04Å; W772-V775 HydrophobicContact CZ3-CG1 3.88Å; W772-V775 PolarHBondContact O-N 3.25Å; V775-R777 VanDerWaalsContact C-N 3.35Å; V775-R777 PolarHBondContact O-N 3.39Å; V775-V778 WeakPolarHBondContact O-CB 3.5Å; V775-V778 PolarHBondContact O-N 3.22Å; V775-V778 VanDerWaalsContact O-N 3.17Å; V775-L779 HydrophobicContact CG1-CD1 4.45Å; V775-L779 PolarHBondContact O-N 3.06Å; V775-V792 HydrophobicContact CG1-CG2 3.84Å; V775-L795 HydrophobicContact CG2-CD2 3.96Å; V775-I796 HydrophobicContact CG1-CD1 3.81Å; V775-I796 HydrophobicContact CG1-CG1 3.69Å |
| 776 | T | 95.7 | Very high | 95 | Very high | 20 Ų | 20 | 50.9 Ų | 50.9 | 12% | 0.123 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.5 | -38.7 | 177 | -63.2 | 0 | 0 | 0 | 0 | 112 | W772 V774 V778 L779 T780 K817 | W772-T776 PolarHBondContact NE1-OG1 3.36Å; W772-T776 WeakPolarHBondContact O-CB 3.34Å; W772-T776 PolarHBondContact O-N 3.22Å; W772-T776 PolarHBondContact O-OG1 2.93Å; W772-T776 VanDerWaalsContact O-OG1 3.07Å; V774-T776 VanDerWaalsContact C-N 3.34Å; V774-T776 PolarHBondContact O-N 2.62Å; T776-V778 VanDerWaalsContact C-N 3.34Å; T776-L779 PolarHBondContact O-N 2.93Å; T776-T780 WeakPolarHBondContact O-CG2 3.19Å; T776-T780 PolarHBondContact O-N 3.12Å; T776-T780 PolarHBondContact O-OG1 3.23Å; T776-K817 HydrophobicContact CG2-CD 4.08Å; T776-K817 HydrophobicContact CG2-CG 4.46Å |
| 777 | R | 95.9 | Very high | 94.7 | Very high | 88 Ų | 88 | 57.1 Ų | 57.1 | 33% | 0.332 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.9 | -40.5 | 172.5 | -72 | 176.2 | 61.6 | -169.5 | 1.3 | 111.6 | M693 D694 P773 V774 V775 T780 H781 | M693-R777 HydrophobicContact CE-CB 3.64Å; M693-R777 HydrophobicContact SD-CB 3.65Å; D694-R777 IonicContact OD1-CZ 3.54Å; D694-R777 IonicContact OD1-NH1 3.95Å; D694-R777 IonicContact OD1-NH2 3.65Å; D694-R777 PolarHBondContact OD1-NH2 3.43Å; P773-R777 VanDerWaalsContact O-CG 3.31Å; P773-R777 WeakPolarHBondContact O-CG 3.48Å; P773-R777 PolarHBondContact O-N 2.96Å; P773-R777 VanDerWaalsContact O-N 3.13Å; V774-R777 WeakPolarHBondContact O-CB 3.46Å; V774-R777 PolarHBondContact O-N 3.32Å; V775-R777 VanDerWaalsContact C-N 3.35Å; V775-R777 PolarHBondContact O-N 3.39Å; R777-T780 PolarHBondContact O-N 3.34Å; R777-T780 PolarHBondContact O-OG1 3.42Å; R777-H781 WeakPolarHBondContact O-CB 2.99Å; R777-H781 PolarHBondContact O-N 3.25Å |
| 778 | V | 95.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63 | -46.5 | 175.8 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | L689 M693 L712 V774 V775 T776 T780 H781 Y782 M789 V792 | L689-V778 HydrophobicContact CD2-CG2 4.32Å; M693-V778 HydrophobicContact CE-CG2 3.92Å; M693-V778 HydrophobicContact SD-CB 4.47Å; M693-V778 HydrophobicContact SD-CG2 3.82Å; L712-V778 HydrophobicContact CD1-CG1 4.18Å; L712-V778 HydrophobicContact CD2-CG1 4.43Å; V774-V778 WeakPolarHBondContact O-CG2 3.48Å; V774-V778 PolarHBondContact O-N 3.29Å; V775-V778 WeakPolarHBondContact O-CB 3.5Å; V775-V778 PolarHBondContact O-N 3.22Å; V775-V778 VanDerWaalsContact O-N 3.17Å; T776-V778 VanDerWaalsContact C-N 3.34Å; V778-T780 PolarHBondContact O-N 3.19Å; V778-H781 PolarHBondContact O-N 3.49Å; V778-Y782 HydrophobicContact CB-CD2 4.49Å; V778-Y782 HydrophobicContact CG1-CD2 3.98Å; V778-Y782 PolarHBondContact O-N 3.06Å; V778-M789 HydrophobicContact CG1-CE 4.45Å; V778-M789 VanDerWaalsContact O-CE 3.24Å; V778-M789 WeakPolarHBondContact O-CE 3.43Å; V778-V792 HydrophobicContact CB-CG2 4.27Å; V778-V792 HydrophobicContact CG1-CB 3.86Å; V778-V792 HydrophobicContact CG1-CG1 4.28Å; V778-V792 HydrophobicContact CG1-CG2 3.82Å |
| 779 | L | 94.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.1 | -30.2 | 177.9 | -76.8 | 173.9 | 0 | 0 | 0 | 113.8 | V775 T776 A783 M789 V792 I796 K817 S821 F831 | V775-L779 HydrophobicContact CG1-CD1 4.45Å; V775-L779 PolarHBondContact O-N 3.06Å; T776-L779 PolarHBondContact O-N 2.93Å; L779-A783 WeakPolarHBondContact O-CB 3.46Å; L779-M789 HydrophobicContact CD2-SD 4.15Å; L779-V792 HydrophobicContact CD2-CG1 3.64Å; L779-V792 HydrophobicContact CD2-CG2 4.34Å; L779-V792 HydrophobicContact CG-CG1 4.38Å; L779-V792 HydrophobicContact CG-CG2 4.3Å; L779-I796 HydrophobicContact CD1-CD1 3.9Å; L779-I796 HydrophobicContact CD2-CD1 4.18Å; L779-I796 HydrophobicContact CG-CD1 4.32Å; L779-K817 HydrophobicContact CD1-CB 4.29Å; L779-S821 PolarHBondContact O-OG 3.47Å; L779-S821 VanDerWaalsContact O-OG 3.12Å; L779-F831 HydrophobicContact CD2-CE1 3.99Å; L779-F831 HydrophobicContact CD2-CZ 4.18Å |
| 780 | T | 93.4 | Very high | 94.5 | Very high | 73 Ų | 73 | 49.5 Ų | 49.5 | 45% | 0.448 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -90.9 | -47.1 | -179.9 | 51.3 | 0 | 0 | 0 | 0 | 111.9 | T776 R777 V778 A783 | T776-T780 WeakPolarHBondContact O-CG2 3.19Å; T776-T780 PolarHBondContact O-N 3.12Å; T776-T780 PolarHBondContact O-OG1 3.23Å; R777-T780 PolarHBondContact O-N 3.34Å; R777-T780 PolarHBondContact O-OG1 3.42Å; V778-T780 PolarHBondContact O-N 3.19Å; T780-A783 WeakPolarHBondContact O-CB 3.48Å |
| 781 | H | 93.8 | Very high | 94.5 | Very high | 73 Ų | 73 | 47.2 Ų | 47.2 | 34% | 0.338 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -66.3 | -39.9 | -176.4 | -170.9 | 87.3 | 0 | 0 | 0 | 112.5 | M693 N696 R777 V778 | M693-H781 HydrophobicContact CG-CB 4.25Å; M693-H781 HydrophobicContact SD-CB 4.04Å; N696-H781 PolarHBondContact OD1-CE1 2.95Å; R777-H781 WeakPolarHBondContact O-CB 2.99Å; R777-H781 PolarHBondContact O-N 3.25Å; V778-H781 PolarHBondContact O-N 3.49Å |
| 782 | Y | 93.6 | Very high | 94.5 | Very high | 8 Ų | 8 | 47.1 Ų | 47.1 | 3% | 0.031 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 16.6 | -178.5 | -59.6 | -75.3 | 0 | 0 | 0 | 113.8 | M693 I699 P708 V778 S784 R785 P788 | M693-Y782 HydrophobicContact CG-CE2 3.89Å; M693-Y782 HydrophobicContact SD-CE2 4.36Å; I699-Y782 HydrophobicContact CD1-CD1 4.03Å; I699-Y782 HydrophobicContact CD1-CE1 3.84Å; I699-Y782 HydrophobicContact CG1-CE1 4.21Å; P708-Y782 HydrophobicContact CB-CE2 3.97Å; P708-Y782 HydrophobicContact CG-CD1 4.5Å; P708-Y782 HydrophobicContact CG-CE1 4Å; P708-Y782 HydrophobicContact CG-CE2 4.03Å; V778-Y782 HydrophobicContact CB-CD2 4.49Å; V778-Y782 HydrophobicContact CG1-CD2 3.98Å; V778-Y782 PolarHBondContact O-N 3.06Å; Y782-S784 PolarHBondContact O-N 3.5Å; Y782-R785 WeakPolarHBondContact O-CB 3.28Å; Y782-R785 PolarHBondContact O-N 2.98Å; Y782-P788 HydrophobicContact CD1-CB 4.46Å; Y782-P788 HydrophobicContact CD1-CG 4.34Å; Y782-P788 HydrophobicContact CG-CB 4.04Å; Y782-P788 HydrophobicContact CG-CG 4.41Å |
| 783 | A | 92.4 | Very high | 94.6 | Very high | 13 Ų | 13 | 46.9 Ų | 46.9 | 11% | 0.107 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | -31.2 | -169.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L779 T780 G826 H828 | L779-A783 WeakPolarHBondContact O-CB 3.46Å; T780-A783 WeakPolarHBondContact O-CB 3.48Å; A783-G826 PolarHBondContact O-N 2.96Å; A783-H828 PolarHBondContact O-NE2 3.21Å |
| 784 | S | 90.6 | Very high | 94.6 | Very high | 86 Ų | 86 | 47.3 Ų | 47.3 | 60% | 0.601 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -7.7 | 178.8 | 61 | 0 | 0 | 0 | 0 | 114.2 | Y782 | Y782-S784 PolarHBondContact O-N 3.5Š|
| 785 | R | 91.6 | Very high | 94.6 | Very high | 159 Ų | 159 | 46.6 Ų | 46.6 | 60% | 0.6 | 22% | 0.218 | S | C | * | . | trans | -101.8 | 113.3 | -174.6 | -57.1 | -65 | -168.6 | 169.5 | 3.1 | 110.4 | Y782 R787 P788 M789 | Y782-R785 WeakPolarHBondContact O-CB 3.28Å; Y782-R785 PolarHBondContact O-N 2.98Å; R785-R787 PolarHBondContact O-N 3.22Å; R785-P788 HydrophobicContact CB-CG 3.94Å; R785-P788 WeakPolarHBondContact O-CD 3.43Å; R785-M789 WeakPolarHBondContact O-CB 3.42Å; R785-M789 VanDerWaalsContact O-CG 3.22Å; R785-M789 WeakPolarHBondContact O-CG 3.47Å; R785-M789 PolarHBondContact O-N 2.92Å | ||
| 786 | M | 90.8 | Very high | 94.6 | Very high | 121 Ų | 121 | 46.6 Ų | 46.6 | 60% | 0.596 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -55.6 | -51.7 | -177.5 | -174.1 | -178.6 | 77.4 | 0 | 0 | 113.4 | M789 E790 | M786-M789 PolarHBondContact O-N 3Å; M786-E790 PolarHBondContact O-N 2.6Å |
| 787 | R | 92.3 | Very high | 94.7 | Very high | 151 Ų | 151 | 47.6 Ų | 47.6 | 57% | 0.57 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -64.2 | -52.4 | -173.4 | -60 | -177.3 | 175.2 | 171.1 | -3.2 | 113.4 | R785 M789 E790 H791 | R785-R787 PolarHBondContact O-N 3.22Å; R787-M789 PolarHBondContact O-N 2.77Å; R787-E790 WeakPolarHBondContact O-CB 3.24Å; R787-E790 PolarHBondContact O-N 2.97Å; R787-E790 VanDerWaalsContact O-N 3.16Å; R787-H791 PolarHBondContact O-CD2 3.27Å; R787-H791 PolarHBondContact O-N 3.23Å |
| 788 | P | 93.8 | Very high | 94.8 | Very high | 5 Ų | 5 | 44.2 Ų | 44.2 | 3% | 0.032 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.6 | -36.1 | 174.4 | -25.5 | 35.3 | 0 | 0 | 0 | 113.3 | I699 P708 Y782 R785 E790 H791 V792 | I699-P788 HydrophobicContact CD1-CG 3.75Å; P708-P788 HydrophobicContact CG-CB 4.23Å; P708-P788 HydrophobicContact CG-CG 4.13Å; Y782-P788 HydrophobicContact CD1-CB 4.46Å; Y782-P788 HydrophobicContact CD1-CG 4.34Å; Y782-P788 HydrophobicContact CG-CB 4.04Å; Y782-P788 HydrophobicContact CG-CG 4.41Å; R785-P788 HydrophobicContact CB-CG 3.94Å; R785-P788 WeakPolarHBondContact O-CD 3.43Å; P788-E790 VanDerWaalsContact C-N 3.34Å; P788-E790 PolarHBondContact O-N 2.96Å; P788-H791 PolarHBondContact O-N 2.93Å; P788-V792 WeakPolarHBondContact O-CG1 2.86Å; P788-V792 PolarHBondContact O-N 3.45Å |
| 789 | M | 94.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.8 | -36.3 | 177.5 | -73.2 | -60.1 | 101.9 | 0 | 0 | 112.8 | V778 L779 R785 M786 R787 V792 C793 F831 | V778-M789 HydrophobicContact CG1-CE 4.45Å; V778-M789 VanDerWaalsContact O-CE 3.24Å; V778-M789 WeakPolarHBondContact O-CE 3.43Å; L779-M789 HydrophobicContact CD2-SD 4.15Å; R785-M789 WeakPolarHBondContact O-CB 3.42Å; R785-M789 VanDerWaalsContact O-CG 3.22Å; R785-M789 WeakPolarHBondContact O-CG 3.47Å; R785-M789 PolarHBondContact O-N 2.92Å; M786-M789 PolarHBondContact O-N 3Å; R787-M789 PolarHBondContact O-N 2.77Å; M789-V792 HydrophobicContact CE-CG1 3.92Å; M789-V792 WeakPolarHBondContact O-CG1 3.46Å; M789-V792 HydrophobicContact SD-CG1 4.23Å; M789-C793 WeakPolarHBondContact O-CB 3.33Å; M789-C793 PolarHBondContact O-N 3.02Å; M789-C793 VanDerWaalsContact O-N 3.08Å; M789-C793 PolarHBondContact O-SG 3.37Å; M789-F831 HydrophobicContact SD-CE2 4.48Å; M789-F831 HydrophobicContact SD-CZ 3.96Å |
| 790 | E | 95 | Very high | 95 | Very high | 81 Ų | 81 | 44.6 Ų | 44.6 | 38% | 0.379 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64.4 | -46.9 | 174.5 | -166.9 | -172 | 149.9 | 0 | 0 | 112 | M786 R787 P788 C793 R794 | M786-E790 PolarHBondContact O-N 2.6Å; R787-E790 WeakPolarHBondContact O-CB 3.24Å; R787-E790 PolarHBondContact O-N 2.97Å; R787-E790 VanDerWaalsContact O-N 3.16Å; P788-E790 VanDerWaalsContact C-N 3.34Å; P788-E790 PolarHBondContact O-N 2.96Å; E790-C793 PolarHBondContact O-N 3.28Å; E790-R794 PolarHBondContact O-N 2.85Å; E790-R794 IonicContact OE1-NH2 3.46Å; E790-R794 PolarHBondContact OE1-NH2 3.14Å |
| 791 | H | 96.1 | Very high | 95 | Very high | 22 Ų | 22 | 44.4 Ų | 44.4 | 10% | 0.102 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -69.3 | -37.6 | -178.1 | -72.2 | -114.2 | 0 | 0 | 0 | 112.5 | L712 D713 R787 P788 R794 L795 | L712-H791 HydrophobicContact CB-CB 4.14Å; L712-H791 HydrophobicContact CD1-CB 3.97Å; D713-H791 IonicContact OD1-CE1 3.51Å; D713-H791 IonicContact OD1-CG 3.52Å; D713-H791 IonicContact OD1-ND1 2.94Å; D713-H791 PolarHBondContact OD1-ND1 3.03Å; D713-H791 IonicContact OD2-CE1 3.42Å; D713-H791 PolarHBondContact OD2-CE1 2.8Å; D713-H791 IonicContact OD2-ND1 3.74Å; D713-H791 PolarHBondContact OD2-ND1 3.02Å; R787-H791 PolarHBondContact O-CD2 3.27Å; R787-H791 PolarHBondContact O-N 3.23Å; P788-H791 PolarHBondContact O-N 2.93Å; H791-R794 PolarHBondContact CE1-NH1 2.86Å; H791-R794 VanDerWaalsContact CE1-NH1 3.26Å; H791-R794 PolarHBondContact ND1-NH1 3.35Å; H791-R794 WeakPolarHBondContact O-CB 3.31Å; H791-R794 PolarHBondContact O-N 3.41Å; H791-L795 PolarHBondContact O-N 3.13Å |
| 792 | V | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.3 | -37.3 | 174.3 | 71.7 | 0 | 0 | 0 | 0 | 111.5 | L712 V775 V778 L779 P788 M789 R794 L795 I796 | L712-V792 HydrophobicContact CD1-CB 4.15Å; L712-V792 HydrophobicContact CD2-CB 4.22Å; L712-V792 HydrophobicContact CD2-CG2 4.23Å; V775-V792 HydrophobicContact CG1-CG2 3.84Å; V778-V792 HydrophobicContact CB-CG2 4.27Å; V778-V792 HydrophobicContact CG1-CB 3.86Å; V778-V792 HydrophobicContact CG1-CG1 4.28Å; V778-V792 HydrophobicContact CG1-CG2 3.82Å; L779-V792 HydrophobicContact CD2-CG1 3.64Å; L779-V792 HydrophobicContact CD2-CG2 4.34Å; L779-V792 HydrophobicContact CG-CG1 4.38Å; L779-V792 HydrophobicContact CG-CG2 4.3Å; P788-V792 WeakPolarHBondContact O-CG1 2.86Å; P788-V792 PolarHBondContact O-N 3.45Å; M789-V792 HydrophobicContact CE-CG1 3.92Å; M789-V792 WeakPolarHBondContact O-CG1 3.46Å; M789-V792 HydrophobicContact SD-CG1 4.23Å; V792-R794 VanDerWaalsContact C-N 3.28Å; V792-R794 PolarHBondContact O-N 3.25Å; V792-L795 PolarHBondContact O-N 3.19Å; V792-I796 HydrophobicContact CG2-CD1 4.23Å; V792-I796 VanDerWaalsContact O-CG1 3.25Å; V792-I796 WeakPolarHBondContact O-CG1 3.27Å; V792-I796 PolarHBondContact O-N 2.83Å |
| 793 | C | 97.1 | Very high | 95.1 | Very high | 6 Ų | 6 | 40.8 Ų | 40.8 | 4% | 0.041 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.4 | -37.2 | 172.2 | -71 | 0 | 0 | 0 | 0 | 111.6 | M789 E790 I796 R797 L834 | M789-C793 WeakPolarHBondContact O-CB 3.33Å; M789-C793 PolarHBondContact O-N 3.02Å; M789-C793 VanDerWaalsContact O-N 3.08Å; M789-C793 PolarHBondContact O-SG 3.37Å; E790-C793 PolarHBondContact O-N 3.28Å; C793-I796 PolarHBondContact O-N 2.87Å; C793-R797 WeakPolarHBondContact O-CB 3.36Å; C793-R797 PolarHBondContact O-N 2.86Å; C793-L834 HydrophobicContact CB-CB 4.43Å; C793-L834 HydrophobicContact CB-CD2 4.23Å |
| 794 | R | 96.9 | Very high | 95.2 | Very high | 69 Ų | 69 | 41.3 Ų | 41.3 | 26% | 0.26 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62 | -45.7 | 173.8 | -173.1 | -174.5 | -61.5 | 125.9 | 4.9 | 112 | D713 E790 H791 V792 R797 F798 | D713-R794 IonicContact OD1-NH1 3.01Å; D713-R794 PolarHBondContact OD1-NH1 3.18Å; E790-R794 PolarHBondContact O-N 2.85Å; E790-R794 IonicContact OE1-NH2 3.46Å; E790-R794 PolarHBondContact OE1-NH2 3.14Å; H791-R794 PolarHBondContact CE1-NH1 2.86Å; H791-R794 VanDerWaalsContact CE1-NH1 3.26Å; H791-R794 PolarHBondContact ND1-NH1 3.35Å; H791-R794 WeakPolarHBondContact O-CB 3.31Å; H791-R794 PolarHBondContact O-N 3.41Å; V792-R794 VanDerWaalsContact C-N 3.28Å; V792-R794 PolarHBondContact O-N 3.25Å; R794-R797 WeakPolarHBondContact O-CB 3.46Å; R794-R797 PolarHBondContact O-N 3.22Å; R794-F798 HydrophobicContact CG-CD2 4.14Å; R794-F798 HydrophobicContact CG-CE2 3.64Å; R794-F798 HydrophobicContact CG-CZ 4.46Å; R794-F798 WeakPolarHBondContact O-CD2 3.23Å; R794-F798 PolarHBondContact O-N 3.44Å; R794-F798 VanDerWaalsContact O-N 3.13Å |
| 795 | L | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.5 | -49.7 | 174.6 | 172.4 | 58.8 | 0 | 0 | 0 | 111.6 | L712 L715 A716 F719 V775 H791 V792 R797 F798 I799 | L712-L795 HydrophobicContact CD2-CD2 3.92Å; L715-L795 HydrophobicContact CB-CD1 3.72Å; L715-L795 HydrophobicContact CB-CD2 3.96Å; L715-L795 HydrophobicContact CB-CG 4.49Å; L715-L795 HydrophobicContact CD1-CD2 3.96Å; A716-L795 HydrophobicContact CB-CB 4.43Å; F719-L795 HydrophobicContact CD2-CD1 3.75Å; F719-L795 HydrophobicContact CE2-CD1 4.46Å; F719-L795 HydrophobicContact CG-CD1 4.46Å; V775-L795 HydrophobicContact CG2-CD2 3.96Å; H791-L795 PolarHBondContact O-N 3.13Å; V792-L795 PolarHBondContact O-N 3.19Å; L795-R797 VanDerWaalsContact C-N 3.28Å; L795-R797 PolarHBondContact O-N 2.96Å; L795-F798 PolarHBondContact O-N 3.26Å; L795-F798 VanDerWaalsContact O-N 3.09Å; L795-I799 HydrophobicContact CD1-CD1 3.88Å; L795-I799 HydrophobicContact CD1-CG1 4.14Å; L795-I799 HydrophobicContact CG-CD1 3.91Å; L795-I799 WeakPolarHBondContact O-CG1 3.46Å; L795-I799 PolarHBondContact O-N 2.74Å |
| 796 | I | 97.8 | Very high | 95.4 | Very high | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.015 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -58.6 | -43.3 | 178.7 | -63.9 | 164.4 | 0 | 0 | 0 | 110.3 | W772 V775 L779 V792 C793 F798 I799 V800 L814 L834 | W772-I796 HydrophobicContact CZ3-CD1 4.46Å; W772-I796 HydrophobicContact CZ3-CG1 4.34Å; V775-I796 HydrophobicContact CG1-CD1 3.81Å; V775-I796 HydrophobicContact CG1-CG1 3.69Å; L779-I796 HydrophobicContact CD1-CD1 3.9Å; L779-I796 HydrophobicContact CD2-CD1 4.18Å; L779-I796 HydrophobicContact CG-CD1 4.32Å; V792-I796 HydrophobicContact CG2-CD1 4.23Å; V792-I796 VanDerWaalsContact O-CG1 3.25Å; V792-I796 WeakPolarHBondContact O-CG1 3.27Å; V792-I796 PolarHBondContact O-N 2.83Å; C793-I796 PolarHBondContact O-N 2.87Å; I796-F798 VanDerWaalsContact C-N 3.33Å; I796-F798 PolarHBondContact O-N 3.16Å; I796-I799 PolarHBondContact O-N 3.01Å; I796-V800 HydrophobicContact CG2-CG2 4.12Å; I796-V800 WeakPolarHBondContact O-CB 3.41Å; I796-V800 VanDerWaalsContact O-CG2 3.32Å; I796-V800 WeakPolarHBondContact O-CG2 3.14Å; I796-V800 PolarHBondContact O-N 3.08Å; I796-L814 HydrophobicContact CD1-CD1 4.47Å; I796-L814 HydrophobicContact CG2-CD1 3.69Å; I796-L814 HydrophobicContact CG2-CD2 4.11Å; I796-L834 HydrophobicContact CB-CD1 4.21Å; I796-L834 HydrophobicContact CB-CD2 4.21Å; I796-L834 HydrophobicContact CD1-CD2 4.18Å; I796-L834 HydrophobicContact CG2-CD1 3.9Å; I796-L834 HydrophobicContact CG2-CD2 4Å |
| 797 | R | 97.3 | Very high | 95.6 | Very high | 40 Ų | 40 | 31 Ų | 31 | 15% | 0.151 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -53.9 | -49.1 | 174.6 | 171 | 177.4 | 71.3 | 77.6 | -2.8 | 111.3 | C793 R794 L795 V800 R801 Y833 L834 V837 | C793-R797 WeakPolarHBondContact O-CB 3.36Å; C793-R797 PolarHBondContact O-N 2.86Å; R794-R797 WeakPolarHBondContact O-CB 3.46Å; R794-R797 PolarHBondContact O-N 3.22Å; L795-R797 VanDerWaalsContact C-N 3.28Å; L795-R797 PolarHBondContact O-N 2.96Å; R797-V800 PolarHBondContact O-N 2.81Å; R797-R801 HydrophobicContact CG-CG 4.49Å; R797-R801 VanDerWaalsContact O-CG 3.26Å; R797-R801 WeakPolarHBondContact O-CG 3.45Å; R797-R801 PolarHBondContact O-N 3.49Å; R797-Y833 WeakPolarHBondContact CD-OH 3.34Å; R797-L834 HydrophobicContact CB-CD1 4.17Å; R797-V837 HydrophobicContact CG-CG1 4.12Å; R797-V837 HydrophobicContact CG-CG2 3.83Å |
| 798 | F | 97.4 | Very high | 95.6 | Very high | 18 Ų | 18 | 29.1 Ų | 29.1 | 8% | 0.079 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.1 | -37 | 179.7 | -68.9 | -55 | 0 | 0 | 0 | 113.1 | A716 F719 R720 R794 L795 I796 R801 C802 | A716-F798 HydrophobicContact CB-CD2 3.82Å; A716-F798 HydrophobicContact CB-CE2 4.03Å; A716-F798 WeakPolarHBondContact O-CD2 3.28Å; F719-F798 HydrophobicContact CB-CB 3.75Å; R720-F798 HydrophobicContact CB-CD1 3.77Å; R720-F798 HydrophobicContact CB-CD2 4.22Å; R720-F798 HydrophobicContact CB-CE1 3.62Å; R720-F798 HydrophobicContact CB-CE2 4.08Å; R720-F798 HydrophobicContact CB-CG 4.06Å; R720-F798 HydrophobicContact CB-CZ 3.78Å; R720-F798 HydrophobicContact CG-CD1 4.11Å; R720-F798 HydrophobicContact CG-CE1 3.54Å; R720-F798 HydrophobicContact CG-CZ 3.8Å; R794-F798 HydrophobicContact CG-CD2 4.14Å; R794-F798 HydrophobicContact CG-CE2 3.64Å; R794-F798 HydrophobicContact CG-CZ 4.46Å; R794-F798 WeakPolarHBondContact O-CD2 3.23Å; R794-F798 PolarHBondContact O-N 3.44Å; R794-F798 VanDerWaalsContact O-N 3.13Å; L795-F798 PolarHBondContact O-N 3.26Å; L795-F798 VanDerWaalsContact O-N 3.09Å; I796-F798 VanDerWaalsContact C-N 3.33Å; I796-F798 PolarHBondContact O-N 3.16Å; F798-R801 PolarHBondContact O-N 3.36Å; F798-C802 WeakPolarHBondContact O-CB 3.46Å; F798-C802 PolarHBondContact O-N 3.03Å |
| 799 | I | 97.4 | Very high | 95.6 | Very high | 6 Ų | 6 | 34.9 Ų | 34.9 | 3% | 0.031 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.1 | -48 | 172.7 | -67.7 | 168.9 | 0 | 0 | 0 | 110.3 | F719 V767 I771 L795 I796 R801 C802 F803 L807 | F719-I799 HydrophobicContact CB-CG1 4.38Å; F719-I799 HydrophobicContact CD1-CG1 3.8Å; F719-I799 HydrophobicContact CD2-CD1 4.44Å; F719-I799 HydrophobicContact CD2-CG1 3.92Å; F719-I799 HydrophobicContact CE1-CG1 4.06Å; F719-I799 HydrophobicContact CE2-CD1 4.4Å; F719-I799 HydrophobicContact CE2-CG1 4.17Å; F719-I799 HydrophobicContact CG-CG1 3.74Å; F719-I799 HydrophobicContact CZ-CG1 4.24Å; V767-I799 HydrophobicContact CG1-CG2 3.89Å; I771-I799 HydrophobicContact CG2-CD1 4.17Å; L795-I799 HydrophobicContact CD1-CD1 3.88Å; L795-I799 HydrophobicContact CD1-CG1 4.14Å; L795-I799 HydrophobicContact CG-CD1 3.91Å; L795-I799 WeakPolarHBondContact O-CG1 3.46Å; L795-I799 PolarHBondContact O-N 2.74Å; I796-I799 PolarHBondContact O-N 3.01Å; I799-R801 PolarHBondContact O-N 3.04Å; I799-C802 WeakPolarHBondContact O-CB 3.49Å; I799-C802 PolarHBondContact O-N 3.41Å; I799-F803 HydrophobicContact CG2-CD2 4.21Å; I799-F803 HydrophobicContact CG2-CE2 4.49Å; I799-F803 WeakPolarHBondContact O-CD2 3.35Å; I799-F803 PolarHBondContact O-N 3.32Å; I799-L807 HydrophobicContact CG2-CD1 3.9Å; I799-L807 WeakPolarHBondContact O-CD1 3.45Å |
| 800 | V | 96.6 | Very high | 95.5 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.018 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.5 | -46.9 | 178.4 | 169.7 | 0 | 0 | 0 | 0 | 111.2 | I796 R797 C802 S804 L807 L814 V837 L838 E841 F842 | I796-V800 HydrophobicContact CG2-CG2 4.12Å; I796-V800 WeakPolarHBondContact O-CB 3.41Å; I796-V800 VanDerWaalsContact O-CG2 3.32Å; I796-V800 WeakPolarHBondContact O-CG2 3.14Å; I796-V800 PolarHBondContact O-N 3.08Å; R797-V800 PolarHBondContact O-N 2.81Å; V800-C802 VanDerWaalsContact C-N 3.35Å; V800-C802 PolarHBondContact O-N 2.75Å; V800-S804 VanDerWaalsContact O-CA 3.22Å; V800-S804 WeakPolarHBondContact O-CA 3.32Å; V800-S804 PolarHBondContact O-N 3.06Å; V800-L807 HydrophobicContact CG2-CD1 4.43Å; V800-L814 HydrophobicContact CG2-CD2 3.9Å; V800-V837 HydrophobicContact CG1-CG1 4.15Å; V800-L838 HydrophobicContact CG1-CD2 4.11Å; V800-L838 HydrophobicContact CG2-CD2 4.01Å; V800-E841 HydrophobicContact CG1-CB 4.25Å; V800-E841 HydrophobicContact CG1-CG 3.99Å; V800-F842 HydrophobicContact CG1-CE2 3.95Å |
| 801 | R | 95 | Very high | 95.5 | Very high | 68 Ų | 68 | 32.5 Ų | 32.5 | 26% | 0.257 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -63.6 | -37.7 | 176.7 | -66 | -63.7 | -172.5 | 158.1 | -2.1 | 112.9 | N723 R797 F798 I799 V837 D840 E841 | N723-R801 WeakPolarHBondContact OD1-CB 3.39Å; N723-R801 PolarHBondContact OD1-O 3Å; R797-R801 HydrophobicContact CG-CG 4.49Å; R797-R801 VanDerWaalsContact O-CG 3.26Å; R797-R801 WeakPolarHBondContact O-CG 3.45Å; R797-R801 PolarHBondContact O-N 3.49Å; F798-R801 PolarHBondContact O-N 3.36Å; I799-R801 PolarHBondContact O-N 3.04Å; R801-V837 HydrophobicContact CG-CG1 4.45Å; R801-D840 IonicContact CZ-OD2 3.37Å; R801-D840 IonicContact NH1-OD2 2.81Å; R801-D840 PolarHBondContact NH1-OD2 3.36Å; R801-D840 IonicContact NH2-OD2 2.93Å; R801-D840 PolarHBondContact NH2-OD2 3.27Å; R801-E841 WeakPolarHBondContact CD-OE1 3.47Å; R801-E841 IonicContact CZ-OE1 3.56Å; R801-E841 IonicContact NE-OE1 3.69Å; R801-E841 PolarHBondContact NE-OE1 2.94Å; R801-E841 IonicContact NH1-OE1 2.64Å; R801-E841 PolarHBondContact NH1-OE1 3.04Å |
| 802 | C | 94.3 | Very high | 95.5 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.007 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.4 | -43 | -179.3 | 175.8 | 0 | 0 | 0 | 0 | 113.3 | F719 F722 F798 I799 V800 | F719-C802 HydrophobicContact CD1-CB 4.49Å; F722-C802 HydrophobicContact CB-CB 4.43Å; F722-C802 WeakPolarHBondContact CB-SG 3.3Å; F722-C802 PolarHBondContact O-SG 3.19Å; F722-C802 VanDerWaalsContact O-SG 3.32Å; F798-C802 WeakPolarHBondContact O-CB 3.46Å; F798-C802 PolarHBondContact O-N 3.03Å; I799-C802 WeakPolarHBondContact O-CB 3.49Å; I799-C802 PolarHBondContact O-N 3.41Å; V800-C802 VanDerWaalsContact C-N 3.35Å; V800-C802 PolarHBondContact O-N 2.75Å |
| 803 | F | 95.1 | Very high | 95.4 | Very high | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.018 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -106.6 | -11.9 | -175.7 | -63.2 | -79.4 | 0 | 0 | 0 | 113.7 | F719 L725 L760 C763 L764 V767 I799 V805 H806 L807 | F719-F803 HydrophobicContact CD1-CE2 4.42Å; F719-F803 AromaticContact CE1-CE2 3.92Å; F719-F803 HydrophobicContact CE1-CE2 3.92Å; F719-F803 HydrophobicContact CE1-CZ 4.47Å; L725-F803 HydrophobicContact CD2-CD1 4.44Å; L725-F803 HydrophobicContact CD2-CE1 3.8Å; L725-F803 HydrophobicContact CD2-CZ 4.24Å; L760-F803 HydrophobicContact CD1-CD1 4.1Å; L760-F803 HydrophobicContact CD1-CE1 4.35Å; C763-F803 HydrophobicContact CB-CE1 3.83Å; C763-F803 HydrophobicContact CB-CZ 4.11Å; L764-F803 HydrophobicContact CD2-CB 4.11Å; L764-F803 HydrophobicContact CD2-CD1 3.57Å; L764-F803 HydrophobicContact CD2-CE1 4.18Å; L764-F803 HydrophobicContact CD2-CG 3.92Å; L764-F803 HydrophobicContact CG-CD1 4.15Å; L764-F803 HydrophobicContact CG-CE1 4.43Å; V767-F803 HydrophobicContact CG2-CD2 4.38Å; V767-F803 HydrophobicContact CG2-CE2 3.5Å; V767-F803 HydrophobicContact CG2-CZ 3.73Å; I799-F803 HydrophobicContact CG2-CD2 4.21Å; I799-F803 HydrophobicContact CG2-CE2 4.49Å; I799-F803 WeakPolarHBondContact O-CD2 3.35Å; I799-F803 PolarHBondContact O-N 3.32Å; F803-V805 PolarHBondContact O-N 2.93Å; F803-H806 VanDerWaalsContact O-CB 3.3Å; F803-H806 WeakPolarHBondContact O-CB 3.33Å; F803-H806 PolarHBondContact O-CD2 3.23Å; F803-H806 PolarHBondContact O-N 3.24Å; F803-L807 HydrophobicContact CB-CD1 3.65Å; F803-L807 HydrophobicContact CB-CD2 4.4Å; F803-L807 HydrophobicContact CB-CG 3.58Å; F803-L807 HydrophobicContact CD2-CD1 4.15Å; F803-L807 HydrophobicContact CG-CD1 4.33Å; F803-L807 HydrophobicContact CG-CG 4.33Å |
| 804 | S | 93.8 | Very high | 95.3 | Very high | 24 Ų | 24 | 39.5 Ų | 39.5 | 17% | 0.168 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | 45.6 | -132.2 | 176.5 | -170.6 | 0 | 0 | 0 | 0 | 111.8 | V800 H806 L807 E841 | V800-S804 VanDerWaalsContact O-CA 3.22Å; V800-S804 WeakPolarHBondContact O-CA 3.32Å; V800-S804 PolarHBondContact O-N 3.06Å; S804-H806 PolarHBondContact O-N 2.87Å; S804-L807 PolarHBondContact O-N 3.21Å; S804-E841 WeakPolarHBondContact CB-OE2 3.44Å; S804-E841 PolarHBondContact OG-OE2 2.85Å |
| 805 | V | 93.1 | Very high | 95.2 | Very high | 58 Ų | 58 | 37.1 Ų | 37.1 | 35% | 0.352 | 19% | 0.187 | S | C | . | . | G | 310 helix | trans | -57.1 | -17.2 | -179.5 | -62.8 | 0 | 0 | 0 | 0 | 115 | F803 L807 R808 | F803-V805 PolarHBondContact O-N 2.93Å; V805-L807 PolarHBondContact O-N 3.43Å; V805-R808 WeakPolarHBondContact O-CB 3.19Å; V805-R808 PolarHBondContact O-N 3.48Å |
| 806 | H | 93.6 | Very high | 95.1 | Very high | 77 Ų | 77 | 43.1 Ų | 43.1 | 36% | 0.356 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -72.5 | -14 | 176.1 | -61.4 | -79.3 | 0 | 0 | 0 | 113.2 | L764 F803 S804 R808 | L764-H806 HydrophobicContact CD1-CB 4.12Å; L764-H806 HydrophobicContact CD2-CB 4.23Å; F803-H806 VanDerWaalsContact O-CB 3.3Å; F803-H806 WeakPolarHBondContact O-CB 3.33Å; F803-H806 PolarHBondContact O-CD2 3.23Å; F803-H806 PolarHBondContact O-N 3.24Å; S804-H806 PolarHBondContact O-N 2.87Å; H806-R808 VanDerWaalsContact C-N 3.27Å |
| 807 | L | 94.3 | Very high | 94.9 | Very high | 14 Ų | 14 | 45.1 Ų | 45.1 | 7% | 0.073 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -85.3 | 7.3 | 170.6 | -76.1 | 169.3 | 0 | 0 | 0 | 113.7 | L764 V767 I799 V800 F803 S804 V805 D809 L810 L811 F842 | L764-L807 HydrophobicContact CD2-CD2 4.19Å; V767-L807 HydrophobicContact CG1-CD2 4.38Å; I799-L807 HydrophobicContact CG2-CD1 3.9Å; I799-L807 WeakPolarHBondContact O-CD1 3.45Å; V800-L807 HydrophobicContact CG2-CD1 4.43Å; F803-L807 HydrophobicContact CB-CD1 3.65Å; F803-L807 HydrophobicContact CB-CD2 4.4Å; F803-L807 HydrophobicContact CB-CG 3.58Å; F803-L807 HydrophobicContact CD2-CD1 4.15Å; F803-L807 HydrophobicContact CG-CD1 4.33Å; F803-L807 HydrophobicContact CG-CG 4.33Å; S804-L807 PolarHBondContact O-N 3.21Å; V805-L807 PolarHBondContact O-N 3.43Å; L807-D809 PolarHBondContact O-N 2.72Å; L807-D809 VanDerWaalsContact O-N 3.13Å; L807-L810 HydrophobicContact CD2-CB 4.42Å; L807-L810 HydrophobicContact CD2-CD2 4.03Å; L807-L810 WeakPolarHBondContact O-CA 3.4Å; L807-L810 WeakPolarHBondContact O-CB 3.47Å; L807-L810 PolarHBondContact O-N 2.85Å; L807-L811 PolarHBondContact O-N 3.17Å; L807-L811 VanDerWaalsContact O-N 3.14Å; L807-F842 HydrophobicContact CB-CZ 4.25Å |
| 808 | R | 93.3 | Very high | 94.8 | Very high | 113 Ų | 113 | 43.2 Ų | 43.2 | 43% | 0.426 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -37.5 | -177.3 | -179.7 | 175.6 | 174.1 | -147.5 | -2.8 | 113.6 | V805 H806 L810 L811 P812 F842 D847 | V805-R808 WeakPolarHBondContact O-CB 3.19Å; V805-R808 PolarHBondContact O-N 3.48Å; H806-R808 VanDerWaalsContact C-N 3.27Å; R808-L810 VanDerWaalsContact C-N 3.26Å; R808-L810 PolarHBondContact O-N 3.4Å; R808-L811 WeakPolarHBondContact O-CB 3.46Å; R808-L811 PolarHBondContact O-N 3.42Å; R808-P812 WeakPolarHBondContact O-CD 3.25Å; R808-F842 HydrophobicContact CB-CE1 4.37Å; R808-D847 IonicContact CZ-OD2 2.75Å; R808-D847 IonicContact NE-OD2 3.91Å; R808-D847 PolarHBondContact NE-OD2 3.37Å; R808-D847 IonicContact NH2-OD1 3.02Å; R808-D847 IonicContact NH2-OD2 3.73Å; R808-D847 PolarHBondContact NH2-OD2 3.07Å |
| 809 | D | 92.6 | Very high | 94.7 | Very high | 125 Ų | 125 | 44.1 Ų | 44.1 | 67% | 0.668 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -27.7 | 177 | -69.3 | -10 | 0 | 0 | 0 | 113.5 | R768 L807 | R768-D809 IonicContact NH2-OD2 2.83Å; R768-D809 PolarHBondContact NH2-OD2 3.4Å; L807-D809 PolarHBondContact O-N 2.72Å; L807-D809 VanDerWaalsContact O-N 3.13Å |
| 810 | L | 94.1 | Very high | 94.5 | Very high | 13 Ų | 13 | 47 Ų | 47 | 7% | 0.068 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | -18 | 178.3 | -168.4 | 64.6 | 0 | 0 | 0 | 112.1 | W772 L807 R808 E813 L814 | W772-L810 HydrophobicContact CD2-CD1 4.22Å; W772-L810 HydrophobicContact CD2-CD2 3.93Å; W772-L810 HydrophobicContact CD2-CG 4.43Å; W772-L810 HydrophobicContact CE3-CD2 4.11Å; W772-L810 HydrophobicContact CG-CD1 4.13Å; W772-L810 HydrophobicContact CG-CD2 4.15Å; L807-L810 HydrophobicContact CD2-CB 4.42Å; L807-L810 HydrophobicContact CD2-CD2 4.03Å; L807-L810 WeakPolarHBondContact O-CA 3.4Å; L807-L810 WeakPolarHBondContact O-CB 3.47Å; L807-L810 PolarHBondContact O-N 2.85Å; R808-L810 VanDerWaalsContact C-N 3.26Å; R808-L810 PolarHBondContact O-N 3.4Å; L810-E813 PolarHBondContact O-N 2.84Å; L810-L814 PolarHBondContact O-N 3.5Å |
| 811 | L | 95.1 | Very high | 94.3 | Very high | 18 Ų | 18 | 47 Ų | 47 | 9% | 0.094 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.2 | -43.5 | -175.1 | -179.7 | 64.1 | 0 | 0 | 0 | 113.7 | L807 R808 E813 L814 A815 L838 F842 | L807-L811 PolarHBondContact O-N 3.17Å; L807-L811 VanDerWaalsContact O-N 3.14Å; R808-L811 WeakPolarHBondContact O-CB 3.46Å; R808-L811 PolarHBondContact O-N 3.42Å; L811-E813 PolarHBondContact O-N 2.93Å; L811-L814 PolarHBondContact O-N 2.99Å; L811-A815 WeakPolarHBondContact O-CB 3.41Å; L811-A815 PolarHBondContact O-N 3.29Å; L811-L838 HydrophobicContact CD1-CD1 4.12Å; L811-L838 HydrophobicContact CD1-CD2 4.11Å; L811-L838 HydrophobicContact CD1-CG 4.48Å; L811-F842 HydrophobicContact CD1-CD2 3.88Å; L811-F842 HydrophobicContact CD1-CE2 3.87Å; L811-F842 HydrophobicContact CD1-CG 4.46Å; L811-F842 HydrophobicContact CD1-CZ 4.43Å; L811-F842 HydrophobicContact CD2-CB 4.03Å; L811-F842 HydrophobicContact CD2-CD1 3.86Å; L811-F842 HydrophobicContact CD2-CD2 3.97Å; L811-F842 HydrophobicContact CD2-CE1 4.28Å; L811-F842 HydrophobicContact CD2-CE2 4.4Å; L811-F842 HydrophobicContact CD2-CG 3.69Å |
| 812 | P | 95.8 | Very high | 94.2 | Very high | 90 Ų | 90 | 44 Ų | 44 | 58% | 0.584 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -60.4 | -43.6 | 178 | -24.6 | 35.2 | 0 | 0 | 0 | 113 | R808 A815 E816 | R808-P812 WeakPolarHBondContact O-CD 3.25Å; P812-A815 PolarHBondContact O-N 3.41Å; P812-E816 WeakPolarHBondContact O-CB 3.41Å; P812-E816 PolarHBondContact O-N 2.98Å |
| 813 | E | 94.9 | Very high | 94 | Very high | 79 Ų | 79 | 47.8 Ų | 47.8 | 37% | 0.369 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -66.9 | -44.2 | 178.2 | -171.5 | -174 | 160.4 | 0 | 0 | 110.9 | W772 L810 L811 A815 E816 K817 | W772-E813 VanDerWaalsContact NE1-CD 3.31Å; W772-E813 PolarHBondContact NE1-OE1 3.45Å; L810-E813 PolarHBondContact O-N 2.84Å; L811-E813 PolarHBondContact O-N 2.93Å; E813-A815 PolarHBondContact O-N 3.42Å; E813-E816 PolarHBondContact O-N 3.06Å; E813-K817 WeakPolarHBondContact O-CG 3.17Å; E813-K817 PolarHBondContact O-N 3.28Å |
| 814 | L | 94.9 | Very high | 93.6 | Very high | 7 Ų | 7 | 52.5 Ų | 52.5 | 4% | 0.037 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.3 | -46.4 | 176 | 172.4 | 59.6 | 0 | 0 | 0 | 111.6 | W772 I796 V800 L810 L811 K817 I818 L838 | W772-L814 HydrophobicContact CH2-CB 4.05Å; W772-L814 HydrophobicContact CH2-CD1 3.45Å; W772-L814 VanDerWaalsContact CH2-CD1 3.45Å; W772-L814 HydrophobicContact CH2-CG 4.31Å; W772-L814 HydrophobicContact CZ2-CB 4.34Å; W772-L814 HydrophobicContact CZ2-CD1 4.46Å; W772-L814 HydrophobicContact CZ3-CD1 3.99Å; I796-L814 HydrophobicContact CD1-CD1 4.47Å; I796-L814 HydrophobicContact CG2-CD1 3.69Å; I796-L814 HydrophobicContact CG2-CD2 4.11Å; V800-L814 HydrophobicContact CG2-CD2 3.9Å; L810-L814 PolarHBondContact O-N 3.5Å; L811-L814 PolarHBondContact O-N 2.99Å; L814-K817 PolarHBondContact O-N 2.66Å; L814-I818 HydrophobicContact CD1-CD1 3.93Å; L814-I818 HydrophobicContact CD1-CG1 4.22Å; L814-I818 HydrophobicContact CG-CD1 4.07Å; L814-I818 VanDerWaalsContact O-CG1 3.31Å; L814-I818 WeakPolarHBondContact O-CG1 3.12Å; L814-I818 PolarHBondContact O-N 2.68Å; L814-L838 HydrophobicContact CD2-CD1 4.29Å; L814-L838 HydrophobicContact CD2-CD2 3.64Å; L814-L838 HydrophobicContact CG-CD1 4.37Å |
| 815 | A | 95.7 | Very high | 92.9 | Very high | 18 Ų | 18 | 52.7 Ų | 52.7 | 15% | 0.149 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.1 | -44 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | L811 P812 E813 K817 I818 V819 V855 | L811-A815 WeakPolarHBondContact O-CB 3.41Å; L811-A815 PolarHBondContact O-N 3.29Å; P812-A815 PolarHBondContact O-N 3.41Å; E813-A815 PolarHBondContact O-N 3.42Å; A815-K817 PolarHBondContact O-N 3.34Å; A815-I818 PolarHBondContact O-N 2.67Å; A815-V819 WeakPolarHBondContact O-CG2 3.46Å; A815-V819 PolarHBondContact O-N 2.64Å; A815-V855 HydrophobicContact CB-CG2 3.8Å |
| 816 | E | 95.7 | Very high | 92.5 | Very high | 127 Ų | 127 | 50.8 Ų | 50.8 | 59% | 0.593 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -59.6 | -45.6 | 175.4 | -173.2 | -172.6 | 160.1 | 0 | 0 | 111.4 | P812 E813 V819 L820 | P812-E816 WeakPolarHBondContact O-CB 3.41Å; P812-E816 PolarHBondContact O-N 2.98Å; E813-E816 PolarHBondContact O-N 3.06Å; E816-V819 PolarHBondContact O-N 3.5Å; E816-L820 VanDerWaalsContact O-CB 3.28Å; E816-L820 WeakPolarHBondContact O-CB 3.46Å; E816-L820 PolarHBondContact O-N 2.64Å |
| 817 | K | 93.8 | Very high | 92.3 | Very high | 44 Ų | 44 | 51.5 Ų | 51.5 | 19% | 0.191 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.3 | -38.7 | 178.2 | -66 | -58.1 | 177.8 | -169.4 | 0 | 112.8 | W772 T776 L779 E813 L814 A815 L820 S821 | W772-K817 HydrophobicContact CZ2-CG 4.49Å; T776-K817 HydrophobicContact CG2-CD 4.08Å; T776-K817 HydrophobicContact CG2-CG 4.46Å; L779-K817 HydrophobicContact CD1-CB 4.29Å; E813-K817 WeakPolarHBondContact O-CG 3.17Å; E813-K817 PolarHBondContact O-N 3.28Å; L814-K817 PolarHBondContact O-N 2.66Å; A815-K817 PolarHBondContact O-N 3.34Å; K817-L820 PolarHBondContact O-N 3.19Å; K817-S821 WeakPolarHBondContact O-CB 3.3Å; K817-S821 PolarHBondContact O-N 3.3Å; K817-S821 PolarHBondContact O-OG 3.08Å |
| 818 | I | 94.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.5 | -51.4 | 174.9 | -72.2 | 167.8 | 0 | 0 | 0 | 110.4 | L814 A815 L820 S821 Y822 F831 L834 L838 L859 | L814-I818 HydrophobicContact CD1-CD1 3.93Å; L814-I818 HydrophobicContact CD1-CG1 4.22Å; L814-I818 HydrophobicContact CG-CD1 4.07Å; L814-I818 VanDerWaalsContact O-CG1 3.31Å; L814-I818 WeakPolarHBondContact O-CG1 3.12Å; L814-I818 PolarHBondContact O-N 2.68Å; A815-I818 PolarHBondContact O-N 2.67Å; I818-L820 VanDerWaalsContact C-N 3.35Å; I818-L820 PolarHBondContact O-N 3.01Å; I818-S821 PolarHBondContact O-N 3.4Å; I818-Y822 VanDerWaalsContact O-CB 3.31Å; I818-Y822 WeakPolarHBondContact O-CB 3.38Å; I818-Y822 PolarHBondContact O-N 3.09Å; I818-F831 HydrophobicContact CB-CD1 4.37Å; I818-F831 HydrophobicContact CG1-CD1 4.21Å; I818-F831 HydrophobicContact CG2-CB 4.19Å; I818-F831 HydrophobicContact CG2-CD1 3.93Å; I818-F831 HydrophobicContact CG2-CG 4.39Å; I818-L834 HydrophobicContact CD1-CD2 3.71Å; I818-L834 HydrophobicContact CD1-CG 3.96Å; I818-L834 HydrophobicContact CG1-CD2 4.01Å; I818-L838 HydrophobicContact CD1-CD1 3.6Å; I818-L859 HydrophobicContact CG2-CD1 4.34Å |
| 819 | V | 94.9 | Very high | 92.2 | Very high | 37 Ų | 37 | 47.9 Ų | 47.9 | 22% | 0.224 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.9 | -43.4 | -179.4 | 174 | 0 | 0 | 0 | 0 | 110.8 | A815 E816 T823 V855 A858 | A815-V819 WeakPolarHBondContact O-CG2 3.46Å; A815-V819 PolarHBondContact O-N 2.64Å; E816-V819 PolarHBondContact O-N 3.5Å; V819-T823 HydrophobicContact CG1-CG2 4.33Å; V819-T823 WeakPolarHBondContact O-CB 3.4Å; V819-T823 VanDerWaalsContact O-CG2 3.27Å; V819-T823 WeakPolarHBondContact O-CG2 3.32Å; V819-T823 PolarHBondContact O-N 2.98Å; V819-T823 PolarHBondContact O-OG1 3.37Å; V819-V855 HydrophobicContact CG2-CG1 4.08Å; V819-V855 HydrophobicContact CG2-CG2 4.5Å; V819-A858 HydrophobicContact CG1-CB 3.82Å; V819-A858 HydrophobicContact CG2-CB 4.01Å |
| 820 | L | 93.4 | Very high | 92.3 | Very high | 68 Ų | 68 | 42.5 Ų | 42.5 | 36% | 0.356 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.6 | -54.2 | 177.4 | -176.7 | 65.6 | 0 | 0 | 0 | 111.1 | E816 K817 I818 Y822 T823 T824 | E816-L820 VanDerWaalsContact O-CB 3.28Å; E816-L820 WeakPolarHBondContact O-CB 3.46Å; E816-L820 PolarHBondContact O-N 2.64Å; K817-L820 PolarHBondContact O-N 3.19Å; I818-L820 VanDerWaalsContact C-N 3.35Å; I818-L820 PolarHBondContact O-N 3.01Å; L820-Y822 VanDerWaalsContact C-N 3.31Å; L820-Y822 PolarHBondContact O-N 3.33Å; L820-T823 PolarHBondContact O-N 3.07Å; L820-T823 PolarHBondContact O-OG1 2.61Å; L820-T823 VanDerWaalsContact O-OG1 3.14Å; L820-T824 HydrophobicContact CD1-CG2 3.74Å; L820-T824 PolarHBondContact O-N 3.23Å; L820-T824 PolarHBondContact O-OG1 3.47Å |
| 821 | S | 92.4 | Very high | 92.4 | Very high | 3 Ų | 3 | 41.9 Ų | 41.9 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.1 | -37 | -178.6 | -71.2 | 0 | 0 | 0 | 0 | 112.8 | L779 K817 I818 G825 G826 F831 | L779-S821 PolarHBondContact O-OG 3.47Å; L779-S821 VanDerWaalsContact O-OG 3.12Å; K817-S821 WeakPolarHBondContact O-CB 3.3Å; K817-S821 PolarHBondContact O-N 3.3Å; K817-S821 PolarHBondContact O-OG 3.08Å; I818-S821 PolarHBondContact O-N 3.4Å; S821-G825 WeakPolarHBondContact O-CA 3.16Å; S821-G825 PolarHBondContact O-N 3.31Å; S821-G826 PolarHBondContact O-N 3.28Å; S821-F831 VanDerWaalsContact CB-CZ 3.5Å |
| 822 | Y | 93.2 | Very high | 92.5 | Very high | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.2 | -38.5 | 176.7 | -167.3 | -97.1 | 0 | 0 | 0 | 112.8 | I818 L820 G826 Q827 H828 F831 L832 L859 P862 T863 | I818-Y822 VanDerWaalsContact O-CB 3.31Å; I818-Y822 WeakPolarHBondContact O-CB 3.38Å; I818-Y822 PolarHBondContact O-N 3.09Å; L820-Y822 VanDerWaalsContact C-N 3.31Å; L820-Y822 PolarHBondContact O-N 3.33Å; Y822-G826 CarbonylContact O-C 3.2Å; Y822-Q827 HydrophobicContact CD1-CG 4.32Å; Y822-Q827 HydrophobicContact CE1-CB 4.08Å; Y822-Q827 HydrophobicContact CE1-CG 3.87Å; Y822-Q827 VanDerWaalsContact CE2-C 3.42Å; Y822-Q827 VanDerWaalsContact CE2-CA 3.48Å; Y822-Q827 HydrophobicContact CE2-CB 3.99Å; Y822-H828 WeakPolarHBondContact CE2-O 3.39Å; Y822-F831 HydrophobicContact CD2-CB 3.74Å; Y822-F831 AromaticContact CD2-CD2 3.8Å; Y822-F831 HydrophobicContact CD2-CD2 3.8Å; Y822-F831 HydrophobicContact CD2-CG 4.15Å; Y822-F831 HydrophobicContact CE2-CB 4.38Å; Y822-L832 HydrophobicContact CE2-CG 4.49Å; Y822-L859 HydrophobicContact CD1-CB 4.41Å; Y822-L859 HydrophobicContact CD1-CD2 3.36Å; Y822-L859 HydrophobicContact CD1-CG 4.46Å; Y822-L859 HydrophobicContact CD2-CD2 4.05Å; Y822-L859 HydrophobicContact CE1-CB 4.25Å; Y822-L859 HydrophobicContact CE1-CD2 4.03Å; Y822-L859 HydrophobicContact CG-CD2 3.37Å; Y822-P862 HydrophobicContact CE1-CB 4.28Å; Y822-T863 PolarHBondContact OH-OG1 3.37Å |
| 823 | T | 89.4 | Confident | 92.5 | Very high | 81 Ų | 81 | 40 Ų | 40 | 50% | 0.497 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -84.3 | -33.4 | -176.5 | 54.8 | 0 | 0 | 0 | 0 | 113.6 | V819 L820 | V819-T823 HydrophobicContact CG1-CG2 4.33Å; V819-T823 WeakPolarHBondContact O-CB 3.4Å; V819-T823 VanDerWaalsContact O-CG2 3.27Å; V819-T823 WeakPolarHBondContact O-CG2 3.32Å; V819-T823 PolarHBondContact O-N 2.98Å; V819-T823 PolarHBondContact O-OG1 3.37Å; L820-T823 PolarHBondContact O-N 3.07Å; L820-T823 PolarHBondContact O-OG1 2.61Å; L820-T823 VanDerWaalsContact O-OG1 3.14Å |
| 824 | T | 86.9 | Confident | 92.6 | Very high | 102 Ų | 102 | 36.3 Ų | 36.3 | 63% | 0.626 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -102.8 | -25.7 | -176.1 | 65.7 | 0 | 0 | 0 | 0 | 114.6 | L820 | L820-T824 HydrophobicContact CD1-CG2 3.74Å; L820-T824 PolarHBondContact O-N 3.23Å; L820-T824 PolarHBondContact O-OG1 3.47Å |
| 825 | G | 80.3 | Confident | 92.7 | Very high | 29 Ų | 29 | 36 Ų | 36 | 30% | 0.299 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -79.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | S821 | S821-G825 WeakPolarHBondContact O-CA 3.16Å; S821-G825 PolarHBondContact O-N 3.31Å |
| 826 | G | 83.4 | Confident | 92.8 | Very high | 18 Ų | 18 | 35.2 Ų | 35.2 | 19% | 0.186 | 20% | 0.196 | C | C | . | . | trans | -157.6 | 149 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111 | A783 S821 Y822 H828 | A783-G826 PolarHBondContact O-N 2.96Å; S821-G826 PolarHBondContact O-N 3.28Å; Y822-G826 CarbonylContact O-C 3.2Å; G826-H828 PolarHBondContact O-CD2 2.92Å; G826-H828 PolarHBondContact O-N 3.03Å | ||
| 827 | Q | 90.2 | Very high | 92.9 | Very high | 92 Ų | 92 | 29.2 Ų | 29.2 | 43% | 0.43 | 17% | 0.168 | S | C | . | . | trans | -77.9 | 53.5 | -179.9 | -65.4 | 173.7 | 17.8 | 0 | 0 | 111.3 | Y822 S829 P862 | Y822-Q827 HydrophobicContact CD1-CG 4.32Å; Y822-Q827 HydrophobicContact CE1-CB 4.08Å; Y822-Q827 HydrophobicContact CE1-CG 3.87Å; Y822-Q827 VanDerWaalsContact CE2-C 3.42Å; Y822-Q827 VanDerWaalsContact CE2-CA 3.48Å; Y822-Q827 HydrophobicContact CE2-CB 3.99Å; Q827-S829 PolarHBondContact O-N 3.41Å; Q827-P862 HydrophobicContact CG-CB 4.45Å | ||
| 828 | H | 92.8 | Very high | 93.1 | Very high | 23 Ų | 23 | 27.2 Ų | 27.2 | 11% | 0.106 | 16% | 0.159 | C | C | . | . | trans | -68.7 | 129.6 | -176.8 | -52.1 | -56.2 | 0 | 0 | 0 | 110.4 | A783 Y822 G826 S830 F831 | A783-H828 PolarHBondContact O-NE2 3.21Å; Y822-H828 WeakPolarHBondContact CE2-O 3.39Å; G826-H828 PolarHBondContact O-CD2 2.92Å; G826-H828 PolarHBondContact O-N 3.03Å; H828-S830 PolarHBondContact O-N 3.33Å; H828-S830 VanDerWaalsContact O-N 3.16Å; H828-F831 HydrophobicContact CB-CD2 4.07Å; H828-F831 HydrophobicContact CB-CE2 4.32Å; H828-F831 AromaticContact CD2-CE2 3.97Å; H828-F831 PolarHBondContact O-N 3.46Å | ||
| 829 | S | 93.4 | Very high | 93.2 | Very high | 27 Ų | 27 | 27.2 Ų | 27.2 | 19% | 0.189 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -24 | -176.8 | 73.6 | 0 | 0 | 0 | 0 | 113.2 | Q827 F831 L832 Y833 D881 | Q827-S829 PolarHBondContact O-N 3.41Å; S829-F831 PolarHBondContact O-N 3.22Å; S829-L832 WeakPolarHBondContact O-CA 3.41Å; S829-L832 VanDerWaalsContact O-CB 3.28Å; S829-L832 WeakPolarHBondContact O-CB 3.34Å; S829-L832 PolarHBondContact O-N 3.31Å; S829-Y833 PolarHBondContact O-N 2.97Å; S829-Y833 VanDerWaalsContact O-N 3.14Å; S829-D881 VanDerWaalsContact C-OD2 3.31Å; S829-D881 WeakPolarHBondContact CB-OD2 3.23Å; S829-D881 PolarHBondContact OG-OD2 3.39Å |
| 830 | S | 94.1 | Very high | 93.3 | Very high | 13 Ų | 13 | 27.1 Ų | 27.1 | 9% | 0.091 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -54.4 | -27.4 | 174.7 | 61.2 | 0 | 0 | 0 | 0 | 113.9 | H828 L834 | H828-S830 PolarHBondContact O-N 3.33Å; H828-S830 VanDerWaalsContact O-N 3.16Å; S830-L834 VanDerWaalsContact O-CB 3.31Å; S830-L834 WeakPolarHBondContact O-CB 3.34Å; S830-L834 PolarHBondContact O-N 3.13Å |
| 831 | F | 96.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -74.4 | -32.3 | 173.9 | -70.8 | -62.9 | 0 | 0 | 0 | 112.9 | L779 M789 I818 S821 Y822 H828 S829 T835 | L779-F831 HydrophobicContact CD2-CE1 3.99Å; L779-F831 HydrophobicContact CD2-CZ 4.18Å; M789-F831 HydrophobicContact SD-CE2 4.48Å; M789-F831 HydrophobicContact SD-CZ 3.96Å; I818-F831 HydrophobicContact CB-CD1 4.37Å; I818-F831 HydrophobicContact CG1-CD1 4.21Å; I818-F831 HydrophobicContact CG2-CB 4.19Å; I818-F831 HydrophobicContact CG2-CD1 3.93Å; I818-F831 HydrophobicContact CG2-CG 4.39Å; S821-F831 VanDerWaalsContact CB-CZ 3.5Å; Y822-F831 HydrophobicContact CD2-CB 3.74Å; Y822-F831 AromaticContact CD2-CD2 3.8Å; Y822-F831 HydrophobicContact CD2-CD2 3.8Å; Y822-F831 HydrophobicContact CD2-CG 4.15Å; Y822-F831 HydrophobicContact CE2-CB 4.38Å; H828-F831 HydrophobicContact CB-CD2 4.07Å; H828-F831 HydrophobicContact CB-CE2 4.32Å; H828-F831 AromaticContact CD2-CE2 3.97Å; H828-F831 PolarHBondContact O-N 3.46Å; S829-F831 PolarHBondContact O-N 3.22Å; F831-T835 WeakPolarHBondContact O-CB 3.38Å; F831-T835 PolarHBondContact O-N 3.23Å; F831-T835 PolarHBondContact O-OG1 3.36Å |
| 832 | L | 97 | Very high | 93.6 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.8 | -44.8 | 172.3 | -58.3 | 172.3 | 0 | 0 | 0 | 109.9 | Y822 S829 T835 S836 L859 T863 T878 D881 L882 L885 | Y822-L832 HydrophobicContact CE2-CG 4.49Å; S829-L832 WeakPolarHBondContact O-CA 3.41Å; S829-L832 VanDerWaalsContact O-CB 3.28Å; S829-L832 WeakPolarHBondContact O-CB 3.34Å; S829-L832 PolarHBondContact O-N 3.31Å; L832-T835 PolarHBondContact O-N 2.97Å; L832-S836 PolarHBondContact O-N 2.86Å; L832-L859 HydrophobicContact CD2-CB 3.83Å; L832-L859 HydrophobicContact CD2-CD1 4.09Å; L832-T863 HydrophobicContact CD1-CG2 3.72Å; L832-T878 HydrophobicContact CD1-CG2 4.17Å; L832-D881 HydrophobicContact CB-CB 3.88Å; L832-D881 HydrophobicContact CD1-CB 4.44Å; L832-L882 HydrophobicContact CD1-CB 4.21Å; L832-L885 HydrophobicContact CD2-CD2 4.21Å |
| 833 | Y | 95.9 | Very high | 93.7 | Very high | 67 Ų | 67 | 25.2 Ų | 25.2 | 26% | 0.263 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -58.9 | -53.9 | 171.5 | 176.2 | -167.3 | 0 | 0 | 0 | 110.6 | R797 S829 T835 S836 V837 R884 | R797-Y833 WeakPolarHBondContact CD-OH 3.34Å; S829-Y833 PolarHBondContact O-N 2.97Å; S829-Y833 VanDerWaalsContact O-N 3.14Å; Y833-T835 PolarHBondContact O-N 3.4Å; Y833-S836 WeakPolarHBondContact O-CA 3.46Å; Y833-S836 WeakPolarHBondContact O-CB 3.26Å; Y833-S836 PolarHBondContact O-N 3.26Å; Y833-S836 PolarHBondContact O-OG 2.93Å; Y833-V837 HydrophobicContact CD2-CG2 3.95Å; Y833-V837 HydrophobicContact CE2-CG2 3.49Å; Y833-V837 VanDerWaalsContact CE2-CG2 3.49Å; Y833-V837 PolarHBondContact O-N 3.47Å; Y833-V837 VanDerWaalsContact O-N 3.12Å; Y833-R884 VanDerWaalsContact CE2-NH1 3.27Å |
| 834 | L | 96.9 | Very high | 93.9 | Very high | 3 Ų | 3 | 27.2 Ų | 27.2 | 2% | 0.016 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -56.1 | -40.4 | -179.3 | -178.1 | 58.4 | 0 | 0 | 0 | 111.6 | C793 I796 R797 I818 S830 S836 V837 L838 | C793-L834 HydrophobicContact CB-CB 4.43Å; C793-L834 HydrophobicContact CB-CD2 4.23Å; I796-L834 HydrophobicContact CB-CD1 4.21Å; I796-L834 HydrophobicContact CB-CD2 4.21Å; I796-L834 HydrophobicContact CD1-CD2 4.18Å; I796-L834 HydrophobicContact CG2-CD1 3.9Å; I796-L834 HydrophobicContact CG2-CD2 4Å; R797-L834 HydrophobicContact CB-CD1 4.17Å; I818-L834 HydrophobicContact CD1-CD2 3.71Å; I818-L834 HydrophobicContact CD1-CG 3.96Å; I818-L834 HydrophobicContact CG1-CD2 4.01Å; S830-L834 VanDerWaalsContact O-CB 3.31Å; S830-L834 WeakPolarHBondContact O-CB 3.34Å; S830-L834 PolarHBondContact O-N 3.13Å; L834-S836 VanDerWaalsContact C-N 3.32Å; L834-S836 PolarHBondContact O-N 2.98Å; L834-V837 WeakPolarHBondContact O-CB 3.48Å; L834-V837 PolarHBondContact O-N 3.24Å; L834-V837 VanDerWaalsContact O-N 3.08Å; L834-L838 WeakPolarHBondContact O-CG 3.49Å; L834-L838 PolarHBondContact O-N 3.36Å |
| 835 | T | 97.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.5 | -38.7 | 174.2 | -55.1 | 0 | 0 | 0 | 0 | 112.1 | F831 L832 Y833 V837 L838 V839 V855 L859 L885 | F831-T835 WeakPolarHBondContact O-CB 3.38Å; F831-T835 PolarHBondContact O-N 3.23Å; F831-T835 PolarHBondContact O-OG1 3.36Å; L832-T835 PolarHBondContact O-N 2.97Å; Y833-T835 PolarHBondContact O-N 3.4Å; T835-V837 PolarHBondContact O-N 3.04Å; T835-L838 WeakPolarHBondContact O-CB 3.48Å; T835-L838 PolarHBondContact O-N 3.44Å; T835-L838 VanDerWaalsContact O-N 3.11Å; T835-V839 WeakPolarHBondContact O-CG2 3.43Å; T835-V839 PolarHBondContact O-N 2.78Å; T835-V855 HydrophobicContact CG2-CB 4.28Å; T835-V855 HydrophobicContact CG2-CG1 3.68Å; T835-L859 HydrophobicContact CG2-CD1 4.44Å; T835-L859 WeakPolarHBondContact OG1-CD1 3.22Å; T835-L885 HydrophobicContact CG2-CD1 3.72Å; T835-L885 HydrophobicContact CG2-CD2 4.02Å |
| 836 | S | 97.5 | Very high | 94.8 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.007 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.4 | -32.2 | 174.6 | 79.6 | 0 | 0 | 0 | 0 | 112.4 | L832 Y833 L834 V839 D840 | L832-S836 PolarHBondContact O-N 2.86Å; Y833-S836 WeakPolarHBondContact O-CA 3.46Å; Y833-S836 WeakPolarHBondContact O-CB 3.26Å; Y833-S836 PolarHBondContact O-N 3.26Å; Y833-S836 PolarHBondContact O-OG 2.93Å; L834-S836 VanDerWaalsContact C-N 3.32Å; L834-S836 PolarHBondContact O-N 2.98Å; S836-V839 PolarHBondContact O-N 3.39Å; S836-D840 WeakPolarHBondContact O-CB 3.33Å; S836-D840 PolarHBondContact O-N 3.47Å |
| 837 | V | 96.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -69 | -41 | 174 | 175.7 | 0 | 0 | 0 | 0 | 110.5 | R797 V800 R801 Y833 L834 T835 V839 D840 E841 | R797-V837 HydrophobicContact CG-CG1 4.12Å; R797-V837 HydrophobicContact CG-CG2 3.83Å; V800-V837 HydrophobicContact CG1-CG1 4.15Å; R801-V837 HydrophobicContact CG-CG1 4.45Å; Y833-V837 HydrophobicContact CD2-CG2 3.95Å; Y833-V837 HydrophobicContact CE2-CG2 3.49Å; Y833-V837 VanDerWaalsContact CE2-CG2 3.49Å; Y833-V837 PolarHBondContact O-N 3.47Å; Y833-V837 VanDerWaalsContact O-N 3.12Å; L834-V837 WeakPolarHBondContact O-CB 3.48Å; L834-V837 PolarHBondContact O-N 3.24Å; L834-V837 VanDerWaalsContact O-N 3.08Å; T835-V837 PolarHBondContact O-N 3.04Å; V837-V839 VanDerWaalsContact C-N 3.29Å; V837-V839 PolarHBondContact O-N 3.48Å; V837-D840 PolarHBondContact O-N 3.16Å; V837-E841 HydrophobicContact CG1-CG 4.43Å; V837-E841 WeakPolarHBondContact O-CG 3.5Å; V837-E841 PolarHBondContact O-N 3.4Å |
| 838 | L | 97.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.4 | -39.8 | 175.3 | -57.7 | -176.3 | 0 | 0 | 0 | 111.4 | V800 L811 L814 I818 L834 T835 E841 F842 L852 | V800-L838 HydrophobicContact CG1-CD2 4.11Å; V800-L838 HydrophobicContact CG2-CD2 4.01Å; L811-L838 HydrophobicContact CD1-CD1 4.12Å; L811-L838 HydrophobicContact CD1-CD2 4.11Å; L811-L838 HydrophobicContact CD1-CG 4.48Å; L814-L838 HydrophobicContact CD2-CD1 4.29Å; L814-L838 HydrophobicContact CD2-CD2 3.64Å; L814-L838 HydrophobicContact CG-CD1 4.37Å; I818-L838 HydrophobicContact CD1-CD1 3.6Å; L834-L838 WeakPolarHBondContact O-CG 3.49Å; L834-L838 PolarHBondContact O-N 3.36Å; T835-L838 WeakPolarHBondContact O-CB 3.48Å; T835-L838 PolarHBondContact O-N 3.44Å; T835-L838 VanDerWaalsContact O-N 3.11Å; L838-E841 PolarHBondContact O-N 2.93Å; L838-F842 HydrophobicContact CB-CD2 4.45Å; L838-F842 HydrophobicContact CD2-CD2 4.44Å; L838-F842 HydrophobicContact CD2-CE2 4.14Å; L838-F842 WeakPolarHBondContact O-CB 3.22Å; L838-F842 WeakPolarHBondContact O-CD2 3.4Å; L838-F842 PolarHBondContact O-N 3.38Å; L838-L852 HydrophobicContact CB-CD2 3.83Å |
| 839 | V | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.9 | -42.3 | 175.6 | 177.6 | 0 | 0 | 0 | 0 | 111.4 | T835 S836 V837 E841 G843 L852 L885 R888 L889 H892 | T835-V839 WeakPolarHBondContact O-CG2 3.43Å; T835-V839 PolarHBondContact O-N 2.78Å; S836-V839 PolarHBondContact O-N 3.39Å; V837-V839 VanDerWaalsContact C-N 3.29Å; V837-V839 PolarHBondContact O-N 3.48Å; V839-E841 PolarHBondContact O-N 2.8Å; V839-G843 WeakPolarHBondContact O-CA 3.38Å; V839-G843 PolarHBondContact O-N 2.71Å; V839-L852 HydrophobicContact CG2-CB 4.2Å; V839-L852 HydrophobicContact CG2-CD2 4.29Å; V839-L885 HydrophobicContact CG2-CD1 4Å; V839-R888 HydrophobicContact CB-CB 4.21Å; V839-R888 HydrophobicContact CG1-CB 3.96Å; V839-R888 WeakPolarHBondContact CG1-O 3.35Å; V839-L889 HydrophobicContact CG1-CD2 4.09Å; V839-L889 HydrophobicContact CG1-CG 4.42Å; V839-L889 HydrophobicContact CG2-CD2 3.73Å; V839-L889 HydrophobicContact CG2-CG 4.24Å; V839-H892 HydrophobicContact CG1-CB 4.28Å |
| 840 | D | 96.5 | Very high | 96 | Very high | 35 Ų | 35 | 33.4 Ų | 33.4 | 19% | 0.187 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.2 | -39.6 | 178.5 | -160.3 | 62.2 | 0 | 0 | 0 | 112.4 | R801 S836 V837 R888 H892 | R801-D840 IonicContact CZ-OD2 3.37Å; R801-D840 IonicContact NH1-OD2 2.81Å; R801-D840 PolarHBondContact NH1-OD2 3.36Å; R801-D840 IonicContact NH2-OD2 2.93Å; R801-D840 PolarHBondContact NH2-OD2 3.27Å; S836-D840 WeakPolarHBondContact O-CB 3.33Å; S836-D840 PolarHBondContact O-N 3.47Å; V837-D840 PolarHBondContact O-N 3.16Å; D840-R888 WeakPolarHBondContact OD1-CD 3.47Å; D840-R888 IonicContact OD1-CZ 3.42Å; D840-R888 IonicContact OD1-NE 3.49Å; D840-R888 PolarHBondContact OD1-NE 2.87Å; D840-R888 IonicContact OD1-NH2 2.98Å; D840-H892 IonicContact OD1-NE2 3.63Å |
| 841 | E | 95.1 | Very high | 96.1 | Very high | 35 Ų | 35 | 34.6 Ų | 34.6 | 16% | 0.164 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -87.6 | -34.7 | -176.4 | -68.2 | -66.9 | 147.8 | 0 | 0 | 114.1 | V800 R801 S804 V837 L838 V839 | V800-E841 HydrophobicContact CG1-CB 4.25Å; V800-E841 HydrophobicContact CG1-CG 3.99Å; R801-E841 WeakPolarHBondContact CD-OE1 3.47Å; R801-E841 IonicContact CZ-OE1 3.56Å; R801-E841 IonicContact NE-OE1 3.69Å; R801-E841 PolarHBondContact NE-OE1 2.94Å; R801-E841 IonicContact NH1-OE1 2.64Å; R801-E841 PolarHBondContact NH1-OE1 3.04Å; S804-E841 WeakPolarHBondContact CB-OE2 3.44Å; S804-E841 PolarHBondContact OG-OE2 2.85Å; V837-E841 HydrophobicContact CG1-CG 4.43Å; V837-E841 WeakPolarHBondContact O-CG 3.5Å; V837-E841 PolarHBondContact O-N 3.4Å; L838-E841 PolarHBondContact O-N 2.93Å; V839-E841 PolarHBondContact O-N 2.8Å |
| 842 | F | 97.4 | Very high | 96.1 | Very high | 1 Ų | 1 | 35 Ų | 35 | 0% | 0.004 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -110.9 | -7.4 | -174.1 | -58.8 | -81.9 | 0 | 0 | 0 | 113.7 | V800 L807 R808 L811 L838 E844 Q845 C848 L852 | V800-F842 HydrophobicContact CG1-CE2 3.95Å; L807-F842 HydrophobicContact CB-CZ 4.25Å; R808-F842 HydrophobicContact CB-CE1 4.37Å; L811-F842 HydrophobicContact CD1-CD2 3.88Å; L811-F842 HydrophobicContact CD1-CE2 3.87Å; L811-F842 HydrophobicContact CD1-CG 4.46Å; L811-F842 HydrophobicContact CD1-CZ 4.43Å; L811-F842 HydrophobicContact CD2-CB 4.03Å; L811-F842 HydrophobicContact CD2-CD1 3.86Å; L811-F842 HydrophobicContact CD2-CD2 3.97Å; L811-F842 HydrophobicContact CD2-CE1 4.28Å; L811-F842 HydrophobicContact CD2-CE2 4.4Å; L811-F842 HydrophobicContact CD2-CG 3.69Å; L838-F842 HydrophobicContact CB-CD2 4.45Å; L838-F842 HydrophobicContact CD2-CD2 4.44Å; L838-F842 HydrophobicContact CD2-CE2 4.14Å; L838-F842 WeakPolarHBondContact O-CB 3.22Å; L838-F842 WeakPolarHBondContact O-CD2 3.4Å; L838-F842 PolarHBondContact O-N 3.38Å; F842-E844 VanDerWaalsContact C-N 3.27Å; F842-E844 PolarHBondContact O-N 3.29Å; F842-Q845 WeakPolarHBondContact O-CB 3.35Å; F842-Q845 PolarHBondContact O-N 2.96Å; F842-C848 HydrophobicContact CB-CB 4.23Å; F842-L852 HydrophobicContact CB-CD1 4.14Å |
| 843 | G | 95.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -24 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | V839 Q845 R849 | V839-G843 WeakPolarHBondContact O-CA 3.38Å; V839-G843 PolarHBondContact O-N 2.71Å; G843-Q845 VanDerWaalsContact C-N 3.26Å; G843-Q845 PolarHBondContact O-N 2.79Å; G843-R849 WeakPolarHBondContact O-CG 3.37Å; G843-R849 PolarHBondContact O-NE 3.25Å |
| 844 | E | 92.7 | Very high | 96.2 | Very high | 122 Ų | 122 | 35.5 Ų | 35.5 | 57% | 0.57 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70 | -23.3 | 172 | -67.8 | -54.2 | 142.5 | 0 | 0 | 112.8 | F842 L846 R849 H892 | F842-E844 VanDerWaalsContact C-N 3.27Å; F842-E844 PolarHBondContact O-N 3.29Å; E844-L846 PolarHBondContact O-N 2.99Å; E844-R849 IonicContact OE2-NH2 3.14Å; E844-H892 IonicContact OE1-CE1 3.29Å; E844-H892 IonicContact OE1-CG 2.65Å; E844-H892 IonicContact OE1-ND1 2.73Å; E844-H892 PolarHBondContact OE1-ND1 3.48Å |
| 845 | Q | 93.6 | Very high | 96.2 | Very high | 42 Ų | 42 | 35.8 Ų | 35.8 | 20% | 0.196 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -78.7 | 108.7 | 176.4 | -60.8 | -174.6 | -35.9 | 0 | 0 | 109.8 | F842 G843 D847 C848 R849 | F842-Q845 WeakPolarHBondContact O-CB 3.35Å; F842-Q845 PolarHBondContact O-N 2.96Å; G843-Q845 VanDerWaalsContact C-N 3.26Å; G843-Q845 PolarHBondContact O-N 2.79Å; Q845-D847 PolarHBondContact O-N 2.9Å; Q845-D847 VanDerWaalsContact O-N 3.11Å; Q845-C848 HydrophobicContact CB-CB 4.04Å; Q845-C848 WeakPolarHBondContact O-CB 3.17Å; Q845-C848 PolarHBondContact O-N 3.47Å; Q845-C848 PolarHBondContact OE1-SG 3.13Å; Q845-R849 PolarHBondContact O-N 3.41Å |
| 846 | L | 93.2 | Very high | 96.1 | Very high | 129 Ų | 129 | 35.9 Ų | 35.9 | 68% | 0.675 | 19% | 0.194 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -36.6 | -174.6 | -66.7 | 174.7 | 0 | 0 | 0 | 113.4 | E844 C848 | E844-L846 PolarHBondContact O-N 2.99Å; L846-C848 VanDerWaalsContact C-N 3.33Å |
| 847 | D | 94.6 | Very high | 96 | Very high | 98 Ų | 98 | 37.4 Ų | 37.4 | 52% | 0.524 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -18.9 | -179.6 | 65.7 | -64.9 | 0 | 0 | 0 | 113.7 | R808 Q845 | R808-D847 IonicContact CZ-OD2 2.75Å; R808-D847 IonicContact NE-OD2 3.91Å; R808-D847 PolarHBondContact NE-OD2 3.37Å; R808-D847 IonicContact NH2-OD1 3.02Å; R808-D847 IonicContact NH2-OD2 3.73Å; R808-D847 PolarHBondContact NH2-OD2 3.07Å; Q845-D847 PolarHBondContact O-N 2.9Å; Q845-D847 VanDerWaalsContact O-N 3.11Å |
| 848 | C | 96.1 | Very high | 96 | Very high | 13 Ų | 13 | 39 Ų | 39 | 9% | 0.088 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | -27.1 | 176.6 | -65.1 | 0 | 0 | 0 | 0 | 112.6 | F842 Q845 L846 V850 G851 L852 | F842-C848 HydrophobicContact CB-CB 4.23Å; Q845-C848 HydrophobicContact CB-CB 4.04Å; Q845-C848 WeakPolarHBondContact O-CB 3.17Å; Q845-C848 PolarHBondContact O-N 3.47Å; Q845-C848 PolarHBondContact OE1-SG 3.13Å; L846-C848 VanDerWaalsContact C-N 3.33Å; C848-V850 PolarHBondContact O-N 2.96Å; C848-G851 WeakPolarHBondContact O-CA 3.4Å; C848-G851 PolarHBondContact O-N 3.11Å; C848-L852 HydrophobicContact CB-CD1 4.2Å; C848-L852 WeakPolarHBondContact O-CG 3.5Å; C848-L852 PolarHBondContact O-N 3.19Å |
| 849 | R | 96.2 | Very high | 95.9 | Very high | 59 Ų | 59 | 39 Ų | 39 | 22% | 0.223 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -52.9 | -45.9 | -172 | -65.7 | -175.5 | 177.1 | -177 | -2.8 | 113.8 | G843 E844 Q845 L852 V853 H892 V896 | G843-R849 WeakPolarHBondContact O-CG 3.37Å; G843-R849 PolarHBondContact O-NE 3.25Å; E844-R849 IonicContact OE2-NH2 3.14Å; Q845-R849 PolarHBondContact O-N 3.41Å; R849-L852 PolarHBondContact O-N 2.87Å; R849-V853 WeakPolarHBondContact O-CG2 3.29Å; R849-V853 PolarHBondContact O-N 3.17Å; R849-H892 PolarHBondContact NE-O 3.04Å; R849-V896 HydrophobicContact CB-CG2 4.26Å |
| 850 | V | 96.3 | Very high | 95.6 | Very high | 80 Ų | 80 | 39.5 Ų | 39.5 | 49% | 0.485 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.5 | -42 | 179.3 | 178.8 | 0 | 0 | 0 | 0 | 111 | C848 V853 N854 V896 | C848-V850 PolarHBondContact O-N 2.96Å; V850-V853 PolarHBondContact O-N 3.38Å; V850-N854 WeakPolarHBondContact O-CB 3.47Å; V850-N854 PolarHBondContact O-N 3.44Å; V850-N854 PolarHBondContact O-ND2 3.39Å; V850-N854 PolarHBondContact O-OD1 3.41Å; V850-V896 HydrophobicContact CG2-CG1 4.21Å |
| 851 | G | 96.3 | Very high | 95.3 | Very high | 39 Ų | 39 | 39.2 Ų | 39.2 | 40% | 0.402 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61.7 | -43.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | C848 N854 V855 | C848-G851 WeakPolarHBondContact O-CA 3.4Å; C848-G851 PolarHBondContact O-N 3.11Å; G851-N854 WeakPolarHBondContact O-CB 3.39Å; G851-N854 PolarHBondContact O-N 3.1Å; G851-V855 WeakPolarHBondContact O-CG2 3.02Å; G851-V855 PolarHBondContact O-N 3.44Å; G851-V855 VanDerWaalsContact O-N 3.08Å |
| 852 | L | 97.4 | Very high | 95.2 | Very high | 7 Ų | 7 | 39.6 Ų | 39.6 | 4% | 0.037 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.3 | -42.7 | 177.8 | -67.9 | 166.1 | 0 | 0 | 0 | 112.4 | L838 V839 F842 C848 R849 N854 V855 Y856 | L838-L852 HydrophobicContact CB-CD2 3.83Å; V839-L852 HydrophobicContact CG2-CB 4.2Å; V839-L852 HydrophobicContact CG2-CD2 4.29Å; F842-L852 HydrophobicContact CB-CD1 4.14Å; C848-L852 HydrophobicContact CB-CD1 4.2Å; C848-L852 WeakPolarHBondContact O-CG 3.5Å; C848-L852 PolarHBondContact O-N 3.19Å; R849-L852 PolarHBondContact O-N 2.87Å; L852-N854 VanDerWaalsContact C-N 3.34Å; L852-V855 WeakPolarHBondContact O-CB 3.48Å; L852-V855 PolarHBondContact O-N 3.43Å; L852-Y856 PolarHBondContact O-N 2.53Å |
| 853 | V | 97.4 | Very high | 95.1 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.012 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.1 | -37.9 | 174.4 | 173.7 | 0 | 0 | 0 | 0 | 111 | R849 V850 V855 Y856 E857 L889 C893 V896 F897 I903 | R849-V853 WeakPolarHBondContact O-CG2 3.29Å; R849-V853 PolarHBondContact O-N 3.17Å; V850-V853 PolarHBondContact O-N 3.38Å; V853-V855 VanDerWaalsContact C-N 3.28Å; V853-V855 PolarHBondContact O-N 3.44Å; V853-Y856 WeakPolarHBondContact O-CB 3.43Å; V853-Y856 PolarHBondContact O-N 3.3Å; V853-Y856 VanDerWaalsContact O-N 3.13Å; V853-E857 HydrophobicContact CG1-CG 4.41Å; V853-E857 WeakPolarHBondContact O-CG 3.49Å; V853-E857 PolarHBondContact O-N 2.8Å; V853-L889 HydrophobicContact CG2-CD2 4.13Å; V853-C893 HydrophobicContact CG2-CB 4.15Å; V853-V896 HydrophobicContact CB-CG1 4.12Å; V853-V896 HydrophobicContact CG1-CG1 4.35Å; V853-V896 HydrophobicContact CG2-CB 4.13Å; V853-V896 HydrophobicContact CG2-CG1 3.85Å; V853-F897 HydrophobicContact CG2-CB 4.24Å; V853-I903 HydrophobicContact CG1-CD1 4.25Å |
| 854 | N | 96.7 | Very high | 95 | Very high | 76 Ų | 76 | 40.3 Ų | 40.3 | 41% | 0.406 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.1 | -34.4 | 174.4 | -69.3 | -19.9 | 0 | 0 | 0 | 112.6 | V850 G851 L852 E857 A858 | V850-N854 WeakPolarHBondContact O-CB 3.47Å; V850-N854 PolarHBondContact O-N 3.44Å; V850-N854 PolarHBondContact O-ND2 3.39Å; V850-N854 PolarHBondContact O-OD1 3.41Å; G851-N854 WeakPolarHBondContact O-CB 3.39Å; G851-N854 PolarHBondContact O-N 3.1Å; L852-N854 VanDerWaalsContact C-N 3.34Å; N854-E857 PolarHBondContact O-N 3.32Å; N854-A858 PolarHBondContact O-N 3.33Å; N854-A858 VanDerWaalsContact O-N 3.11Å |
| 855 | V | 97.2 | Very high | 94.9 | Very high | 10 Ų | 10 | 41.9 Ų | 41.9 | 6% | 0.061 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.8 | -48.1 | 172.5 | 178.5 | 0 | 0 | 0 | 0 | 109.8 | A815 V819 T835 G851 L852 V853 E857 A858 L859 | A815-V855 HydrophobicContact CB-CG2 3.8Å; V819-V855 HydrophobicContact CG2-CG1 4.08Å; V819-V855 HydrophobicContact CG2-CG2 4.5Å; T835-V855 HydrophobicContact CG2-CB 4.28Å; T835-V855 HydrophobicContact CG2-CG1 3.68Å; G851-V855 WeakPolarHBondContact O-CG2 3.02Å; G851-V855 PolarHBondContact O-N 3.44Å; G851-V855 VanDerWaalsContact O-N 3.08Å; L852-V855 WeakPolarHBondContact O-CB 3.48Å; L852-V855 PolarHBondContact O-N 3.43Å; V853-V855 VanDerWaalsContact C-N 3.28Å; V853-V855 PolarHBondContact O-N 3.44Å; V855-E857 VanDerWaalsContact C-N 3.32Å; V855-E857 PolarHBondContact O-N 3.12Å; V855-A858 WeakPolarHBondContact O-CB 3.43Å; V855-A858 PolarHBondContact O-N 3.36Å; V855-A858 VanDerWaalsContact O-N 3.12Å; V855-L859 HydrophobicContact CG1-CD1 3.94Å; V855-L859 HydrophobicContact CG1-CG 4.34Å; V855-L859 WeakPolarHBondContact O-CG 3.37Å; V855-L859 PolarHBondContact O-N 3.03Å; V855-L859 VanDerWaalsContact O-N 3.11Å |
| 856 | Y | 97 | Very high | 94.7 | Very high | 3 Ų | 3 | 41.8 Ų | 41.8 | 1% | 0.012 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56.7 | -44.2 | 174.3 | 169 | -89.3 | 0 | 0 | 0 | 112.6 | L852 V853 A858 L859 S860 L882 L885 L889 F897 I903 | L852-Y856 PolarHBondContact O-N 2.53Å; V853-Y856 WeakPolarHBondContact O-CB 3.43Å; V853-Y856 PolarHBondContact O-N 3.3Å; V853-Y856 VanDerWaalsContact O-N 3.13Å; Y856-A858 PolarHBondContact O-N 3.23Å; Y856-L859 PolarHBondContact O-N 3.28Å; Y856-L859 VanDerWaalsContact O-N 3.15Å; Y856-S860 WeakPolarHBondContact CE1-OG 3.28Å; Y856-S860 VanDerWaalsContact CZ-CB 3.45Å; Y856-S860 WeakPolarHBondContact O-CB 3.32Å; Y856-S860 PolarHBondContact O-N 3.31Å; Y856-S860 PolarHBondContact O-OG 3.25Å; Y856-L882 HydrophobicContact CE2-CD1 4.11Å; Y856-L885 HydrophobicContact CD2-CD2 3.75Å; Y856-L885 HydrophobicContact CD2-CG 4.02Å; Y856-L889 HydrophobicContact CD1-CD1 4.35Å; Y856-L889 HydrophobicContact CD2-CD1 3.47Å; Y856-L889 VanDerWaalsContact CD2-CD1 3.47Å; Y856-L889 HydrophobicContact CE2-CD1 4.14Å; Y856-L889 HydrophobicContact CG-CD1 3.57Å; Y856-F897 HydrophobicContact CD1-CD2 4.32Å; Y856-F897 AromaticContact CD1-CE2 3.86Å; Y856-F897 HydrophobicContact CD1-CE2 3.86Å; Y856-F897 HydrophobicContact CE1-CD2 4.37Å; Y856-F897 AromaticContact CE1-CE2 3.55Å; Y856-F897 HydrophobicContact CE1-CE2 3.55Å; Y856-F897 HydrophobicContact CE1-CZ 4.46Å; Y856-F897 HydrophobicContact CE2-CE2 4.22Å; Y856-F897 HydrophobicContact CG-CE2 4.35Å; Y856-F897 AromaticContact CZ-CE2 3.72Å; Y856-I903 HydrophobicContact CD1-CD1 3.72Å; Y856-I903 HydrophobicContact CD1-CG1 4.33Å; Y856-I903 HydrophobicContact CE1-CD1 3.6Å; Y856-I903 HydrophobicContact CE1-CG1 3.94Å; Y856-I903 HydrophobicContact CE1-CG2 4.39Å |
| 857 | E | 95.4 | Very high | 94.6 | Very high | 32 Ų | 32 | 35.8 Ų | 35.8 | 15% | 0.15 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.5 | -37.2 | 177.8 | -71.9 | 179 | 174.2 | 0 | 0 | 112 | V853 N854 V855 S900 R902 I903 | V853-E857 HydrophobicContact CG1-CG 4.41Å; V853-E857 WeakPolarHBondContact O-CG 3.49Å; V853-E857 PolarHBondContact O-N 2.8Å; N854-E857 PolarHBondContact O-N 3.32Å; V855-E857 VanDerWaalsContact C-N 3.32Å; V855-E857 PolarHBondContact O-N 3.12Å; E857-S900 PolarHBondContact OE1-OG 3.46Å; E857-R902 VanDerWaalsContact CD-CD 3.45Å; E857-R902 HydrophobicContact CG-CB 4.26Å; E857-R902 WeakPolarHBondContact OE2-CD 3.42Å; E857-R902 IonicContact OE2-CZ 2.91Å; E857-R902 IonicContact OE2-NE 2.74Å; E857-R902 IonicContact OE2-NH1 3.93Å; E857-R902 PolarHBondContact OE2-NH1 3.5Å; E857-I903 HydrophobicContact CG-CD1 4.43Å; E857-I903 HydrophobicContact CG-CG1 4.29Å |
| 858 | A | 95 | Very high | 94.2 | Very high | 36 Ų | 36 | 34.8 Ų | 34.8 | 30% | 0.298 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -71.1 | -34.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | V819 N854 V855 Y856 | V819-A858 HydrophobicContact CG1-CB 3.82Å; V819-A858 HydrophobicContact CG2-CB 4.01Å; N854-A858 PolarHBondContact O-N 3.33Å; N854-A858 VanDerWaalsContact O-N 3.11Å; V855-A858 WeakPolarHBondContact O-CB 3.43Å; V855-A858 PolarHBondContact O-N 3.36Å; V855-A858 VanDerWaalsContact O-N 3.12Å; Y856-A858 PolarHBondContact O-N 3.23Å |
| 859 | L | 96 | Very high | 93.7 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -86 | -41.6 | -176.9 | -57.2 | 179.3 | 0 | 0 | 0 | 112.9 | I818 Y822 L832 T835 V855 Y856 G861 P862 T863 | I818-L859 HydrophobicContact CG2-CD1 4.34Å; Y822-L859 HydrophobicContact CD1-CB 4.41Å; Y822-L859 HydrophobicContact CD1-CD2 3.36Å; Y822-L859 HydrophobicContact CD1-CG 4.46Å; Y822-L859 HydrophobicContact CD2-CD2 4.05Å; Y822-L859 HydrophobicContact CE1-CB 4.25Å; Y822-L859 HydrophobicContact CE1-CD2 4.03Å; Y822-L859 HydrophobicContact CG-CD2 3.37Å; L832-L859 HydrophobicContact CD2-CB 3.83Å; L832-L859 HydrophobicContact CD2-CD1 4.09Å; T835-L859 HydrophobicContact CG2-CD1 4.44Å; T835-L859 WeakPolarHBondContact OG1-CD1 3.22Å; V855-L859 HydrophobicContact CG1-CD1 3.94Å; V855-L859 HydrophobicContact CG1-CG 4.34Å; V855-L859 WeakPolarHBondContact O-CG 3.37Å; V855-L859 PolarHBondContact O-N 3.03Å; V855-L859 VanDerWaalsContact O-N 3.11Å; Y856-L859 PolarHBondContact O-N 3.28Å; Y856-L859 VanDerWaalsContact O-N 3.15Å; L859-G861 PolarHBondContact O-N 3.17Å; L859-P862 VanDerWaalsContact O-CD 3.3Å; L859-P862 WeakPolarHBondContact O-CD 3.49Å; L859-T863 PolarHBondContact O-N 3.28Å; L859-T863 PolarHBondContact O-OG1 3.31Å |
| 860 | S | 92.8 | Very high | 93 | Very high | 11 Ų | 11 | 38.5 Ų | 38.5 | 8% | 0.077 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65 | -38.6 | -167.1 | 55.2 | 0 | 0 | 0 | 0 | 114.7 | Y856 T863 L864 | Y856-S860 WeakPolarHBondContact CE1-OG 3.28Å; Y856-S860 VanDerWaalsContact CZ-CB 3.45Å; Y856-S860 WeakPolarHBondContact O-CB 3.32Å; Y856-S860 PolarHBondContact O-N 3.31Å; Y856-S860 PolarHBondContact O-OG 3.25Å; S860-T863 PolarHBondContact O-N 3.44Å; S860-L864 WeakPolarHBondContact O-CB 3.39Å; S860-L864 WeakPolarHBondContact O-CG 3.49Å; S860-L864 PolarHBondContact O-N 2.85Å |
| 861 | G | 90.3 | Very high | 92.5 | Very high | 29 Ų | 29 | 35 Ų | 35 | 30% | 0.299 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -58.7 | -54.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113 | L859 T863 K865 | L859-G861 PolarHBondContact O-N 3.17Å; G861-T863 VanDerWaalsContact C-N 3.35Å; G861-K865 WeakPolarHBondContact O-CG 3.48Å; G861-K865 PolarHBondContact O-N 3.47Å |
| 862 | P | 92.1 | Very high | 92 | Very high | 42 Ų | 42 | 34 Ų | 34 | 27% | 0.273 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -57.6 | -42.7 | 170.5 | -24.5 | 31.8 | 0 | 0 | 0 | 113.5 | Y822 Q827 L859 K865 S866 | Y822-P862 HydrophobicContact CE1-CB 4.28Å; Q827-P862 HydrophobicContact CG-CB 4.45Å; L859-P862 VanDerWaalsContact O-CD 3.3Å; L859-P862 WeakPolarHBondContact O-CD 3.49Å; P862-K865 PolarHBondContact O-N 3.23Å; P862-S866 PolarHBondContact O-N 3.01Å |
| 863 | T | 94.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60 | -53.7 | -179.7 | -48.8 | 0 | 0 | 0 | 0 | 112.4 | Y822 L832 L859 S860 G861 K865 S866 I867 T878 L882 | Y822-T863 PolarHBondContact OH-OG1 3.37Å; L832-T863 HydrophobicContact CD1-CG2 3.72Å; L859-T863 PolarHBondContact O-N 3.28Å; L859-T863 PolarHBondContact O-OG1 3.31Å; S860-T863 PolarHBondContact O-N 3.44Å; G861-T863 VanDerWaalsContact C-N 3.35Å; T863-K865 VanDerWaalsContact C-N 3.26Å; T863-K865 PolarHBondContact O-N 3.24Å; T863-S866 WeakPolarHBondContact O-CB 3.39Å; T863-S866 PolarHBondContact O-N 3.24Å; T863-I867 WeakPolarHBondContact O-CG1 3.01Å; T863-I867 PolarHBondContact O-N 2.91Å; T863-T878 HydrophobicContact CG2-CG2 3.56Å; T863-L882 HydrophobicContact CG2-CB 4.35Å; T863-L882 HydrophobicContact CG2-CD1 4.33Å; T863-L882 HydrophobicContact CG2-CD2 4.15Å |
| 864 | L | 93.2 | Very high | 90.9 | Very high | 16 Ų | 16 | 46.6 Ų | 46.6 | 8% | 0.084 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.5 | -37 | -177.6 | -73.1 | 170.6 | 0 | 0 | 0 | 111.7 | S860 I867 S868 L882 L908 T911 | S860-L864 WeakPolarHBondContact O-CB 3.39Å; S860-L864 WeakPolarHBondContact O-CG 3.49Å; S860-L864 PolarHBondContact O-N 2.85Å; L864-I867 HydrophobicContact CD2-CD1 4.4Å; L864-S868 PolarHBondContact O-N 3.01Å; L864-L882 HydrophobicContact CD2-CD2 3.88Å; L864-L908 HydrophobicContact CD2-CD1 4.48Å; L864-T911 HydrophobicContact CD2-CG2 4.3Å |
| 865 | K | 90.6 | Very high | 90.5 | Very high | 155 Ų | 155 | 46.3 Ų | 46.3 | 67% | 0.674 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -63.8 | -42.9 | 173.2 | -71.8 | 175 | -176.5 | 177.6 | 0 | 112 | G861 P862 T863 S868 | G861-K865 WeakPolarHBondContact O-CG 3.48Å; G861-K865 PolarHBondContact O-N 3.47Å; P862-K865 PolarHBondContact O-N 3.23Å; T863-K865 VanDerWaalsContact C-N 3.26Å; T863-K865 PolarHBondContact O-N 3.24Å; K865-S868 PolarHBondContact O-N 3.49Å; K865-S868 PolarHBondContact O-OG 3.42Å |
| 866 | S | 90.8 | Very high | 90.1 | Very high | 41 Ų | 41 | 47.6 Ų | 47.6 | 29% | 0.287 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.1 | -38.7 | -179.9 | -170.3 | 0 | 0 | 0 | 0 | 112.7 | P862 T863 Q875 | P862-S866 PolarHBondContact O-N 3.01Å; T863-S866 WeakPolarHBondContact O-CB 3.39Å; T863-S866 PolarHBondContact O-N 3.24Å; S866-Q875 PolarHBondContact OG-NE2 2.99Å; S866-Q875 PolarHBondContact OG-OE1 2.67Å |
| 867 | I | 91.1 | Very high | 89.7 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 9.3 | -176.6 | 67.2 | 178.4 | 0 | 0 | 0 | 114.3 | T863 L864 L872 Q875 T878 V879 L882 T911 | T863-I867 WeakPolarHBondContact O-CG1 3.01Å; T863-I867 PolarHBondContact O-N 2.91Å; L864-I867 HydrophobicContact CD2-CD1 4.4Å; I867-L872 WeakPolarHBondContact O-CA 3.43Å; I867-L872 WeakPolarHBondContact O-CB 3.35Å; I867-L872 PolarHBondContact O-N 3.41Å; I867-Q875 HydrophobicContact CG2-CB 4.31Å; I867-T878 HydrophobicContact CG2-CG2 3.77Å; I867-V879 HydrophobicContact CB-CG2 4.23Å; I867-V879 HydrophobicContact CD1-CG2 4.13Å; I867-V879 HydrophobicContact CG2-CG2 4.13Å; I867-L882 HydrophobicContact CD1-CD2 3.58Å; I867-T911 HydrophobicContact CD1-CG2 3.76Å; I867-T911 HydrophobicContact CG1-CG2 4.25Å |
| 868 | S | 86.8 | Confident | 89.6 | Confident | 77 Ų | 77 | 52 Ų | 52 | 54% | 0.538 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -76.7 | 147.7 | 178.2 | 67.3 | 0 | 0 | 0 | 0 | 112.7 | L864 K865 S870 G871 | L864-S868 PolarHBondContact O-N 3.01Å; K865-S868 PolarHBondContact O-N 3.49Å; K865-S868 PolarHBondContact O-OG 3.42Å; S868-S870 PolarHBondContact O-N 2.84Å; S868-G871 PolarHBondContact O-N 3.47Å; S868-G871 VanDerWaalsContact O-N 3.09Å |
| 869 | G | 84.4 | Confident | 89.6 | Confident | 69 Ų | 69 | 50.2 Ų | 50.2 | 71% | 0.711 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | -124.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | G871 L872 | G869-G871 PolarHBondContact O-N 3.34Å; G869-L872 PolarHBondContact O-N 3.01Å |
| 870 | S | 82.6 | Confident | 89.5 | Confident | 81 Ų | 81 | 51.7 Ų | 51.7 | 57% | 0.566 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -19.5 | 176 | 58.2 | 0 | 0 | 0 | 0 | 113.3 | S868 L872 I873 Q874 | S868-S870 PolarHBondContact O-N 2.84Å; S870-L872 PolarHBondContact O-N 3.2Å; S870-I873 PolarHBondContact O-N 3.01Å; S870-Q874 WeakPolarHBondContact O-CG 3.41Å; S870-Q874 PolarHBondContact O-N 3.39Å |
| 871 | G | 84.5 | Confident | 89.6 | Confident | 6 Ų | 6 | 52 Ų | 52 | 6% | 0.062 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.6 | -31.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S868 G869 I873 Q874 Q875 | S868-G871 PolarHBondContact O-N 3.47Å; S868-G871 VanDerWaalsContact O-N 3.09Å; G869-G871 PolarHBondContact O-N 3.34Å; G871-I873 VanDerWaalsContact C-N 3.3Å; G871-I873 PolarHBondContact O-N 2.88Å; G871-Q874 PolarHBondContact O-N 3.38Å; G871-Q874 VanDerWaalsContact O-N 3.15Å; G871-Q875 PolarHBondContact O-N 3.3Å |
| 872 | L | 86.5 | Confident | 89.9 | Confident | 19 Ų | 19 | 50.6 Ų | 50.6 | 10% | 0.099 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.9 | -40.8 | 179 | -162.5 | 73.1 | 0 | 0 | 0 | 112.4 | I867 G869 S870 V879 T911 L918 | I867-L872 WeakPolarHBondContact O-CA 3.43Å; I867-L872 WeakPolarHBondContact O-CB 3.35Å; I867-L872 PolarHBondContact O-N 3.41Å; G869-L872 PolarHBondContact O-N 3.01Å; S870-L872 PolarHBondContact O-N 3.2Å; L872-V879 HydrophobicContact CD1-CG2 3.86Å; L872-T911 HydrophobicContact CD1-CG2 4.03Å; L872-L918 HydrophobicContact CD2-CD2 4.29Å; L872-L918 HydrophobicContact CD2-CG 4.48Å; L872-L918 HydrophobicContact CG-CD1 4.09Å; L872-L918 HydrophobicContact CG-CD2 4.11Å; L872-L918 HydrophobicContact CG-CG 4.38Å |
| 873 | I | 85.6 | Confident | 90.1 | Very high | 131 Ų | 131 | 48.6 Ų | 48.6 | 67% | 0.672 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -81.5 | -31.7 | 178.6 | -58.9 | 171.4 | 0 | 0 | 0 | 110.7 | S870 G871 L918 | S870-I873 PolarHBondContact O-N 3.01Å; G871-I873 VanDerWaalsContact C-N 3.3Å; G871-I873 PolarHBondContact O-N 2.88Å; I873-L918 HydrophobicContact CB-CD2 4.35Å; I873-L918 HydrophobicContact CG1-CD2 3.72Å |
| 874 | Q | 86.3 | Confident | 90.2 | Very high | 143 Ų | 143 | 51.6 Ų | 51.6 | 67% | 0.668 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -79.6 | -23.2 | -176.5 | -69.3 | 174.1 | 4.5 | 0 | 0 | 113.9 | S870 G871 P876 | S870-Q874 WeakPolarHBondContact O-CG 3.41Å; S870-Q874 PolarHBondContact O-N 3.39Å; G871-Q874 PolarHBondContact O-N 3.38Å; G871-Q874 VanDerWaalsContact O-N 3.15Å; Q874-P876 VanDerWaalsContact C-CD 3.43Å |
| 875 | Q | 86.8 | Confident | 90.4 | Very high | 69 Ų | 69 | 50.9 Ų | 50.9 | 32% | 0.322 | 28% | 0.283 | S | S | . | . | trans | -127.9 | 55.5 | -174.7 | -61.9 | -177 | -20.7 | 0 | 0 | 113.4 | S866 I867 G871 H877 T878 V879 | S866-Q875 PolarHBondContact OG-NE2 2.99Å; S866-Q875 PolarHBondContact OG-OE1 2.67Å; I867-Q875 HydrophobicContact CG2-CB 4.31Å; G871-Q875 PolarHBondContact O-N 3.3Å; Q875-H877 VanDerWaalsContact C-N 3.3Å; Q875-H877 PolarHBondContact O-N 2.83Å; Q875-T878 WeakPolarHBondContact O-CB 3.37Å; Q875-T878 PolarHBondContact O-N 3.16Å; Q875-T878 VanDerWaalsContact O-N 3.08Å; Q875-V879 PolarHBondContact O-N 3.29Å | ||
| 876 | P | 88.8 | Confident | 90.8 | Very high | 37 Ų | 37 | 43.5 Ų | 43.5 | 24% | 0.24 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.3 | -34.8 | -174.9 | 25.2 | -34.8 | 0 | 0 | 0 | 113.5 | Q874 T878 V879 E880 A952 | Q874-P876 VanDerWaalsContact C-CD 3.43Å; P876-T878 VanDerWaalsContact C-N 3.32Å; P876-T878 PolarHBondContact O-N 2.97Å; P876-V879 WeakPolarHBondContact O-CB 3.45Å; P876-V879 PolarHBondContact O-N 3.28Å; P876-E880 PolarHBondContact O-N 2.9Å; P876-A952 HydrophobicContact CB-CB 4.13Å; P876-A952 WeakPolarHBondContact O-CB 3.49Å |
| 877 | H | 90 | Very high | 91.1 | Very high | 108 Ų | 108 | 42 Ų | 42 | 50% | 0.5 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.7 | -33.5 | 177.3 | -58.9 | -63.1 | 0 | 0 | 0 | 113 | Q875 E880 D881 | Q875-H877 VanDerWaalsContact C-N 3.3Å; Q875-H877 PolarHBondContact O-N 2.83Å; H877-E880 PolarHBondContact O-N 3.42Å; H877-D881 PolarHBondContact O-N 2.96Å |
| 878 | T | 93.4 | Very high | 91.4 | Very high | 19 Ų | 19 | 45.4 Ų | 45.4 | 12% | 0.117 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -69.3 | -37.6 | 175 | -57.8 | 0 | 0 | 0 | 0 | 111.1 | L832 T863 I867 Q875 P876 L882 | L832-T878 HydrophobicContact CD1-CG2 4.17Å; T863-T878 HydrophobicContact CG2-CG2 3.56Å; I867-T878 HydrophobicContact CG2-CG2 3.77Å; Q875-T878 WeakPolarHBondContact O-CB 3.37Å; Q875-T878 PolarHBondContact O-N 3.16Å; Q875-T878 VanDerWaalsContact O-N 3.08Å; P876-T878 VanDerWaalsContact C-N 3.32Å; P876-T878 PolarHBondContact O-N 2.97Å; T878-L882 WeakPolarHBondContact O-CB 3.44Å; T878-L882 PolarHBondContact O-N 2.93Å |
| 879 | V | 94 | Very high | 92 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.6 | -45.6 | 173.1 | 179.8 | 0 | 0 | 0 | 0 | 110.7 | I867 L872 Q875 P876 L882 F883 S915 L918 A952 | I867-V879 HydrophobicContact CB-CG2 4.23Å; I867-V879 HydrophobicContact CD1-CG2 4.13Å; I867-V879 HydrophobicContact CG2-CG2 4.13Å; L872-V879 HydrophobicContact CD1-CG2 3.86Å; Q875-V879 PolarHBondContact O-N 3.29Å; P876-V879 WeakPolarHBondContact O-CB 3.45Å; P876-V879 PolarHBondContact O-N 3.28Å; V879-L882 PolarHBondContact O-N 3.21Å; V879-F883 HydrophobicContact CG1-CD2 3.78Å; V879-F883 HydrophobicContact CG1-CE2 3.83Å; V879-F883 VanDerWaalsContact O-CD2 3.26Å; V879-F883 WeakPolarHBondContact O-CD2 3.37Å; V879-F883 PolarHBondContact O-N 3.18Å; V879-F883 VanDerWaalsContact O-N 3.09Å; V879-S915 WeakPolarHBondContact CG1-OG 3.25Å; V879-L918 HydrophobicContact CG1-CD1 4.29Å; V879-A952 HydrophobicContact CB-CB 3.91Å; V879-A952 HydrophobicContact CG1-CB 3.83Å |
| 880 | E | 94 | Very high | 92.6 | Very high | 30 Ų | 30 | 38.6 Ų | 38.6 | 14% | 0.14 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -56.1 | -57.9 | 175.5 | 177.7 | 177.5 | -177.4 | 0 | 0 | 111.4 | P876 H877 L882 F883 R884 T950 A955 | P876-E880 PolarHBondContact O-N 2.9Å; H877-E880 PolarHBondContact O-N 3.42Å; E880-L882 VanDerWaalsContact C-N 3.31Å; E880-L882 PolarHBondContact O-N 3.48Å; E880-F883 PolarHBondContact O-N 3Å; E880-R884 WeakPolarHBondContact O-CB 3.35Å; E880-R884 PolarHBondContact O-N 3.23Å; E880-T950 WeakPolarHBondContact CG-O 3.32Å; E880-T950 PolarHBondContact OE1-OG1 3.44Å; E880-A955 HydrophobicContact CB-CB 4.44Å; E880-A955 HydrophobicContact CG-CB 4.21Å |
| 881 | D | 95.3 | Very high | 93.3 | Very high | 17 Ų | 17 | 38.2 Ų | 38.2 | 9% | 0.091 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.3 | -33.1 | -176.5 | -70.7 | -35.2 | 0 | 0 | 0 | 112.7 | S829 L832 H877 L885 | S829-D881 VanDerWaalsContact C-OD2 3.31Å; S829-D881 WeakPolarHBondContact CB-OD2 3.23Å; S829-D881 PolarHBondContact OG-OD2 3.39Å; L832-D881 HydrophobicContact CB-CB 3.88Å; L832-D881 HydrophobicContact CD1-CB 4.44Å; H877-D881 PolarHBondContact O-N 2.96Å; D881-L885 PolarHBondContact O-N 3.32Å |
| 882 | L | 96.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.5 | -51.9 | 173.3 | 174.8 | 63.8 | 0 | 0 | 0 | 111.4 | L832 Y856 T863 L864 I867 T878 V879 E880 R884 L885 C886 | L832-L882 HydrophobicContact CD1-CB 4.21Å; Y856-L882 HydrophobicContact CE2-CD1 4.11Å; T863-L882 HydrophobicContact CG2-CB 4.35Å; T863-L882 HydrophobicContact CG2-CD1 4.33Å; T863-L882 HydrophobicContact CG2-CD2 4.15Å; L864-L882 HydrophobicContact CD2-CD2 3.88Å; I867-L882 HydrophobicContact CD1-CD2 3.58Å; T878-L882 WeakPolarHBondContact O-CB 3.44Å; T878-L882 PolarHBondContact O-N 2.93Å; V879-L882 PolarHBondContact O-N 3.21Å; E880-L882 VanDerWaalsContact C-N 3.31Å; E880-L882 PolarHBondContact O-N 3.48Å; L882-R884 VanDerWaalsContact C-N 3.29Å; L882-R884 PolarHBondContact O-N 2.85Å; L882-L885 WeakPolarHBondContact O-CB 3.42Å; L882-L885 PolarHBondContact O-N 3.2Å; L882-C886 PolarHBondContact O-N 3.44Å; L882-C886 PolarHBondContact O-SG 3.09Å |
| 883 | F | 96.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -75.2 | -21.9 | -177.3 | -73.3 | -61.2 | 0 | 0 | 0 | 112.8 | V879 E880 C886 T887 L908 T911 A912 A955 A956 F959 | V879-F883 HydrophobicContact CG1-CD2 3.78Å; V879-F883 HydrophobicContact CG1-CE2 3.83Å; V879-F883 VanDerWaalsContact O-CD2 3.26Å; V879-F883 WeakPolarHBondContact O-CD2 3.37Å; V879-F883 PolarHBondContact O-N 3.18Å; V879-F883 VanDerWaalsContact O-N 3.09Å; E880-F883 PolarHBondContact O-N 3Å; F883-C886 HydrophobicContact CD1-CB 4.35Å; F883-C886 PolarHBondContact O-N 3.46Å; F883-T887 VanDerWaalsContact O-CB 3.31Å; F883-T887 WeakPolarHBondContact O-CB 3.43Å; F883-T887 PolarHBondContact O-N 3.36Å; F883-T887 PolarHBondContact O-OG1 3.1Å; F883-L908 HydrophobicContact CE1-CD1 3.75Å; F883-L908 HydrophobicContact CE1-CG 4.4Å; F883-L908 HydrophobicContact CZ-CD1 4.33Å; F883-T911 HydrophobicContact CE2-CG2 4.37Å; F883-T911 HydrophobicContact CZ-CG2 4.18Å; F883-A912 HydrophobicContact CD1-CB 4.27Å; F883-A912 HydrophobicContact CE1-CB 3.48Å; F883-A912 VanDerWaalsContact CE1-CB 3.48Å; F883-A912 HydrophobicContact CE2-CB 4.26Å; F883-A912 VanDerWaalsContact CZ-CA 3.41Å; F883-A912 HydrophobicContact CZ-CB 3.48Å; F883-A912 VanDerWaalsContact CZ-CB 3.48Å; F883-A955 HydrophobicContact CB-CB 4.01Å; F883-A956 HydrophobicContact CD2-CB 3.94Å; F883-A956 HydrophobicContact CE2-CB 4.31Å; F883-A956 HydrophobicContact CG-CB 4.26Å; F883-F959 HydrophobicContact CB-CB 4.29Å; F883-F959 HydrophobicContact CD1-CB 4.02Å; F883-F959 AromaticContact CD1-CD1 3.75Å; F883-F959 HydrophobicContact CD1-CD1 3.75Å; F883-F959 HydrophobicContact CD1-CE1 4.4Å; F883-F959 AromaticContact CD1-CG 3.87Å; F883-F959 HydrophobicContact CD1-CG 3.87Å; F883-F959 AromaticContact CE1-CD1 3.95Å; F883-F959 HydrophobicContact CE1-CD1 3.95Å; F883-F959 HydrophobicContact CE1-CE1 4.24Å |
| 884 | R | 95.8 | Very high | 94.9 | Very high | 64 Ų | 64 | 32.7 Ų | 32.7 | 24% | 0.242 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.3 | -43.3 | 167.3 | -144.6 | 173 | 82.4 | 120.9 | 65.6 | 112.2 | Y833 E880 L882 R888 | Y833-R884 VanDerWaalsContact CE2-NH1 3.27Å; E880-R884 WeakPolarHBondContact O-CB 3.35Å; E880-R884 PolarHBondContact O-N 3.23Å; L882-R884 VanDerWaalsContact C-N 3.29Å; L882-R884 PolarHBondContact O-N 2.85Å; R884-R888 PolarHBondContact O-N 2.89Å |
| 885 | L | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.9 | -47.1 | 171.9 | 172.2 | 56.7 | 0 | 0 | 0 | 111.7 | L832 T835 V839 Y856 D881 L882 T887 R888 L889 | L832-L885 HydrophobicContact CD2-CD2 4.21Å; T835-L885 HydrophobicContact CG2-CD1 3.72Å; T835-L885 HydrophobicContact CG2-CD2 4.02Å; V839-L885 HydrophobicContact CG2-CD1 4Å; Y856-L885 HydrophobicContact CD2-CD2 3.75Å; Y856-L885 HydrophobicContact CD2-CG 4.02Å; D881-L885 PolarHBondContact O-N 3.32Å; L882-L885 WeakPolarHBondContact O-CB 3.42Å; L882-L885 PolarHBondContact O-N 3.2Å; L885-T887 VanDerWaalsContact C-N 3.28Å; L885-T887 PolarHBondContact O-N 2.95Å; L885-R888 PolarHBondContact O-N 3.46Å; L885-L889 HydrophobicContact CD1-CD1 3.91Å; L885-L889 HydrophobicContact CD1-CG 4.03Å; L885-L889 HydrophobicContact CG-CD1 3.94Å; L885-L889 WeakPolarHBondContact O-CG 3.41Å; L885-L889 PolarHBondContact O-N 2.87Å |
| 886 | C | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.7 | -39.1 | 178.2 | -62.5 | 0 | 0 | 0 | 0 | 111.8 | L882 F883 L889 V890 F897 F959 | L882-C886 PolarHBondContact O-N 3.44Å; L882-C886 PolarHBondContact O-SG 3.09Å; F883-C886 HydrophobicContact CD1-CB 4.35Å; F883-C886 PolarHBondContact O-N 3.46Å; C886-L889 PolarHBondContact O-N 3.46Å; C886-V890 WeakPolarHBondContact O-CG2 3.49Å; C886-V890 PolarHBondContact O-N 3.08Å; C886-F897 HydrophobicContact CB-CZ 4.4Å; C886-F959 HydrophobicContact CB-CD2 3.62Å; C886-F959 HydrophobicContact CB-CE2 3.77Å; C886-F959 HydrophobicContact CB-CG 4.33Å |
| 887 | T | 97.9 | Very high | 96.2 | Very high | 9 Ų | 9 | 23.1 Ų | 23.1 | 6% | 0.055 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -58.2 | -50.4 | 174.3 | -63.7 | 0 | 0 | 0 | 0 | 111.5 | F883 L885 L889 V890 Q891 F959 E962 | F883-T887 VanDerWaalsContact O-CB 3.31Å; F883-T887 WeakPolarHBondContact O-CB 3.43Å; F883-T887 PolarHBondContact O-N 3.36Å; F883-T887 PolarHBondContact O-OG1 3.1Å; L885-T887 VanDerWaalsContact C-N 3.28Å; L885-T887 PolarHBondContact O-N 2.95Å; T887-L889 VanDerWaalsContact C-N 3.32Å; T887-L889 PolarHBondContact O-N 2.77Å; T887-V890 PolarHBondContact O-N 2.93Å; T887-Q891 WeakPolarHBondContact O-CG 3.41Å; T887-Q891 PolarHBondContact O-N 3.29Å; T887-F959 WeakPolarHBondContact OG1-CA 3.42Å; T887-F959 PolarHBondContact OG1-N 3.14Å; T887-E962 HydrophobicContact CG2-CB 4.5Å; T887-E962 HydrophobicContact CG2-CG 3.91Å |
| 888 | R | 97.7 | Very high | 96.5 | Very high | 74 Ų | 74 | 18.5 Ų | 18.5 | 28% | 0.279 | 9% | 0.089 | S | C | . | . | H | α-helix | trans | -64.3 | -35 | 177.7 | -72 | -64 | -175.4 | -95.3 | -1.1 | 113.1 | V839 D840 R884 L885 Q891 H892 | V839-R888 HydrophobicContact CB-CB 4.21Å; V839-R888 HydrophobicContact CG1-CB 3.96Å; V839-R888 WeakPolarHBondContact CG1-O 3.35Å; D840-R888 WeakPolarHBondContact OD1-CD 3.47Å; D840-R888 IonicContact OD1-CZ 3.42Å; D840-R888 IonicContact OD1-NE 3.49Å; D840-R888 PolarHBondContact OD1-NE 2.87Å; D840-R888 IonicContact OD1-NH2 2.98Å; R884-R888 PolarHBondContact O-N 2.89Å; L885-R888 PolarHBondContact O-N 3.46Å; R888-Q891 PolarHBondContact O-N 2.93Å; R888-H892 PolarHBondContact O-CD2 3.15Å; R888-H892 PolarHBondContact O-N 3.31Å |
| 889 | L | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.5 | -38.3 | 174.1 | -73.5 | 166.6 | 0 | 0 | 0 | 112.2 | V839 V853 Y856 L885 C886 T887 C893 A894 F897 | V839-L889 HydrophobicContact CG1-CD2 4.09Å; V839-L889 HydrophobicContact CG1-CG 4.42Å; V839-L889 HydrophobicContact CG2-CD2 3.73Å; V839-L889 HydrophobicContact CG2-CG 4.24Å; V853-L889 HydrophobicContact CG2-CD2 4.13Å; Y856-L889 HydrophobicContact CD1-CD1 4.35Å; Y856-L889 HydrophobicContact CD2-CD1 3.47Å; Y856-L889 VanDerWaalsContact CD2-CD1 3.47Å; Y856-L889 HydrophobicContact CE2-CD1 4.14Å; Y856-L889 HydrophobicContact CG-CD1 3.57Å; L885-L889 HydrophobicContact CD1-CD1 3.91Å; L885-L889 HydrophobicContact CD1-CG 4.03Å; L885-L889 HydrophobicContact CG-CD1 3.94Å; L885-L889 WeakPolarHBondContact O-CG 3.41Å; L885-L889 PolarHBondContact O-N 2.87Å; C886-L889 PolarHBondContact O-N 3.46Å; T887-L889 VanDerWaalsContact C-N 3.32Å; T887-L889 PolarHBondContact O-N 2.77Å; L889-C893 HydrophobicContact CD2-CB 4.18Å; L889-C893 CarbonylContact O-C 3.23Å; L889-C893 WeakPolarHBondContact O-CA 3.39Å; L889-C893 WeakPolarHBondContact O-CB 3.45Å; L889-C893 PolarHBondContact O-N 3.32Å; L889-A894 PolarHBondContact O-N 3.48Å; L889-F897 HydrophobicContact CB-CB 4.35Å; L889-F897 HydrophobicContact CB-CD1 3.89Å; L889-F897 HydrophobicContact CB-CD2 4.11Å; L889-F897 HydrophobicContact CB-CE1 4.2Å; L889-F897 HydrophobicContact CB-CE2 4.39Å; L889-F897 HydrophobicContact CB-CG 3.87Å; L889-F897 HydrophobicContact CB-CZ 4.44Å; L889-F897 HydrophobicContact CD1-CD2 3.89Å; L889-F897 HydrophobicContact CD1-CE2 3.78Å; L889-F897 HydrophobicContact CD1-CG 4.48Å; L889-F897 HydrophobicContact CD1-CZ 4.3Å; L889-F897 HydrophobicContact CG-CD2 4.47Å |
| 890 | V | 97.9 | Very high | 96.7 | Very high | 4 Ų | 4 | 20.5 Ų | 20.5 | 2% | 0.024 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65 | -44.8 | 173 | 173.8 | 0 | 0 | 0 | 0 | 110.4 | C886 T887 H892 A894 F897 F959 E962 L963 F966 | C886-V890 WeakPolarHBondContact O-CG2 3.49Å; C886-V890 PolarHBondContact O-N 3.08Å; T887-V890 PolarHBondContact O-N 2.93Å; V890-H892 PolarHBondContact O-N 3.43Å; V890-A894 WeakPolarHBondContact O-CB 3.39Å; V890-A894 PolarHBondContact O-N 3.25Å; V890-F897 HydrophobicContact CG2-CD1 4.12Å; V890-F897 HydrophobicContact CG2-CE1 4.01Å; V890-F959 HydrophobicContact CG2-CD2 4.3Å; V890-F959 HydrophobicContact CG2-CE2 3.92Å; V890-E962 HydrophobicContact CG1-CB 4.27Å; V890-L963 HydrophobicContact CG2-CD1 4.17Å; V890-F966 HydrophobicContact CG1-CB 3.89Å; V890-F966 HydrophobicContact CG1-CG 4.33Å |
| 891 | Q | 97 | Very high | 96.6 | Very high | 73 Ų | 73 | 25 Ų | 25 | 34% | 0.341 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -63.9 | -43.5 | -177.3 | -72 | 174.8 | -32.6 | 0 | 0 | 113.8 | T887 R888 E962 | T887-Q891 WeakPolarHBondContact O-CG 3.41Å; T887-Q891 PolarHBondContact O-N 3.29Å; R888-Q891 PolarHBondContact O-N 2.93Å; Q891-E962 VanDerWaalsContact CG-OE2 3.3Å; Q891-E962 WeakPolarHBondContact CG-OE2 3.38Å; Q891-E962 PolarHBondContact NE2-OE1 3.06Å; Q891-E962 VanDerWaalsContact NE2-OE1 3.08Å; Q891-E962 PolarHBondContact NE2-OE2 3.03Å |
| 892 | H | 96.8 | Very high | 96.4 | Very high | 32 Ų | 32 | 33.1 Ų | 33.1 | 15% | 0.148 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -109.3 | -23.6 | -173.2 | -58.8 | -73.4 | 0 | 0 | 0 | 114.7 | V839 D840 E844 R849 R888 V890 | V839-H892 HydrophobicContact CG1-CB 4.28Å; D840-H892 IonicContact OD1-NE2 3.63Å; E844-H892 IonicContact OE1-CE1 3.29Å; E844-H892 IonicContact OE1-CG 2.65Å; E844-H892 IonicContact OE1-ND1 2.73Å; E844-H892 PolarHBondContact OE1-ND1 3.48Å; R849-H892 PolarHBondContact NE-O 3.04Å; R888-H892 PolarHBondContact O-CD2 3.15Å; R888-H892 PolarHBondContact O-N 3.31Å; V890-H892 PolarHBondContact O-N 3.43Å |
| 893 | C | 97 | Very high | 96.1 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 1% | 0.014 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -129 | 14.6 | -169.6 | -64 | 0 | 0 | 0 | 0 | 113.6 | V853 L889 A895 V896 F897 | V853-C893 HydrophobicContact CG2-CB 4.15Å; L889-C893 HydrophobicContact CD2-CB 4.18Å; L889-C893 CarbonylContact O-C 3.23Å; L889-C893 WeakPolarHBondContact O-CA 3.39Å; L889-C893 WeakPolarHBondContact O-CB 3.45Å; L889-C893 PolarHBondContact O-N 3.32Å; C893-A895 VanDerWaalsContact C-N 3.32Å; C893-A895 PolarHBondContact O-N 3.24Å; C893-A895 VanDerWaalsContact O-N 3.13Å; C893-V896 PolarHBondContact O-N 2.97Å; C893-F897 WeakPolarHBondContact O-CB 3.38Å; C893-F897 PolarHBondContact O-N 3.48Å |
| 894 | A | 96.6 | Very high | 95.9 | Very high | 6 Ų | 6 | 38.2 Ų | 38.2 | 5% | 0.05 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -49.9 | -46.4 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | L889 V890 V896 F897 L898 F966 | L889-A894 PolarHBondContact O-N 3.48Å; V890-A894 WeakPolarHBondContact O-CB 3.39Å; V890-A894 PolarHBondContact O-N 3.25Å; A894-V896 VanDerWaalsContact C-N 3.33Å; A894-V896 PolarHBondContact O-N 3.41Å; A894-F897 PolarHBondContact O-N 3.34Å; A894-L898 HydrophobicContact CB-CD1 4.2Å; A894-L898 WeakPolarHBondContact O-CB 3.36Å; A894-L898 WeakPolarHBondContact O-CG 3.42Å; A894-L898 PolarHBondContact O-N 3.16Å; A894-F966 HydrophobicContact CB-CD1 4.13Å; A894-F966 HydrophobicContact CB-CD2 3.55Å; A894-F966 HydrophobicContact CB-CE1 3.93Å; A894-F966 HydrophobicContact CB-CE2 3.31Å; A894-F966 HydrophobicContact CB-CG 3.96Å; A894-F966 HydrophobicContact CB-CZ 3.52Å |
| 895 | A | 95.5 | Very high | 95.8 | Very high | 14 Ų | 14 | 36.4 Ų | 36.4 | 12% | 0.116 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.4 | -43.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | C893 T899 Q994 | C893-A895 VanDerWaalsContact C-N 3.32Å; C893-A895 PolarHBondContact O-N 3.24Å; C893-A895 VanDerWaalsContact O-N 3.13Å; A895-T899 WeakPolarHBondContact O-CB 3.31Å; A895-T899 VanDerWaalsContact O-CG2 3.25Å; A895-T899 WeakPolarHBondContact O-CG2 3.44Å; A895-T899 PolarHBondContact O-OG1 3.32Å; A895-Q994 HydrophobicContact CB-CB 3.95Å |
| 896 | V | 96.7 | Very high | 95.5 | Very high | 33 Ų | 33 | 40 Ų | 40 | 20% | 0.2 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -76.7 | -39.9 | 179.6 | -175.4 | 0 | 0 | 0 | 0 | 110.8 | R849 V850 V853 C893 A894 S900 | R849-V896 HydrophobicContact CB-CG2 4.26Å; V850-V896 HydrophobicContact CG2-CG1 4.21Å; V853-V896 HydrophobicContact CB-CG1 4.12Å; V853-V896 HydrophobicContact CG1-CG1 4.35Å; V853-V896 HydrophobicContact CG2-CB 4.13Å; V853-V896 HydrophobicContact CG2-CG1 3.85Å; C893-V896 PolarHBondContact O-N 2.97Å; A894-V896 VanDerWaalsContact C-N 3.33Å; A894-V896 PolarHBondContact O-N 3.41Å; V896-S900 PolarHBondContact O-N 3.06Å |
| 897 | F | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.4 | -53.5 | -178.6 | 174.8 | -124.1 | 0 | 0 | 0 | 112.4 | V853 Y856 C886 L889 V890 C893 A894 T899 S900 I903 L908 | V853-F897 HydrophobicContact CG2-CB 4.24Å; Y856-F897 HydrophobicContact CD1-CD2 4.32Å; Y856-F897 AromaticContact CD1-CE2 3.86Å; Y856-F897 HydrophobicContact CD1-CE2 3.86Å; Y856-F897 HydrophobicContact CE1-CD2 4.37Å; Y856-F897 AromaticContact CE1-CE2 3.55Å; Y856-F897 HydrophobicContact CE1-CE2 3.55Å; Y856-F897 HydrophobicContact CE1-CZ 4.46Å; Y856-F897 HydrophobicContact CE2-CE2 4.22Å; Y856-F897 HydrophobicContact CG-CE2 4.35Å; Y856-F897 AromaticContact CZ-CE2 3.72Å; C886-F897 HydrophobicContact CB-CZ 4.4Å; L889-F897 HydrophobicContact CB-CB 4.35Å; L889-F897 HydrophobicContact CB-CD1 3.89Å; L889-F897 HydrophobicContact CB-CD2 4.11Å; L889-F897 HydrophobicContact CB-CE1 4.2Å; L889-F897 HydrophobicContact CB-CE2 4.39Å; L889-F897 HydrophobicContact CB-CG 3.87Å; L889-F897 HydrophobicContact CB-CZ 4.44Å; L889-F897 HydrophobicContact CD1-CD2 3.89Å; L889-F897 HydrophobicContact CD1-CE2 3.78Å; L889-F897 HydrophobicContact CD1-CG 4.48Å; L889-F897 HydrophobicContact CD1-CZ 4.3Å; L889-F897 HydrophobicContact CG-CD2 4.47Å; V890-F897 HydrophobicContact CG2-CD1 4.12Å; V890-F897 HydrophobicContact CG2-CE1 4.01Å; C893-F897 WeakPolarHBondContact O-CB 3.38Å; C893-F897 PolarHBondContact O-N 3.48Å; A894-F897 PolarHBondContact O-N 3.34Å; F897-T899 VanDerWaalsContact C-N 3.31Å; F897-T899 PolarHBondContact O-N 3.43Å; F897-S900 PolarHBondContact O-N 3.39Å; F897-I903 HydrophobicContact CD2-CD1 3.39Å; F897-I903 HydrophobicContact CE2-CD1 3.59Å; F897-I903 HydrophobicContact CE2-CG2 4.4Å; F897-I903 HydrophobicContact CG-CD1 4.46Å; F897-I903 WeakPolarHBondContact O-CD1 3.32Å; F897-L908 HydrophobicContact CE1-CD2 4.47Å; F897-L908 HydrophobicContact CZ-CD2 3.77Å |
| 898 | L | 96.6 | Very high | 95 | Very high | 11 Ų | 11 | 43.6 Ų | 43.6 | 6% | 0.058 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -81.9 | -7 | -173.3 | -61.3 | 172.7 | 0 | 0 | 0 | 113.9 | A894 L905 L963 F966 A998 N1001 V1002 | A894-L898 HydrophobicContact CB-CD1 4.2Å; A894-L898 WeakPolarHBondContact O-CB 3.36Å; A894-L898 WeakPolarHBondContact O-CG 3.42Å; A894-L898 PolarHBondContact O-N 3.16Å; L898-L905 HydrophobicContact CD2-CD1 3.96Å; L898-L963 HydrophobicContact CD1-CD1 3.82Å; L898-L963 HydrophobicContact CD2-CD1 3.86Å; L898-F966 HydrophobicContact CD1-CD1 3.8Å; L898-F966 HydrophobicContact CD1-CE1 3.66Å; L898-A998 HydrophobicContact CB-CB 3.59Å; L898-A998 HydrophobicContact CD1-CB 4.08Å; L898-A998 HydrophobicContact CG-CB 4.45Å; L898-N1001 PolarHBondContact O-ND2 3.23Å; L898-V1002 HydrophobicContact CD1-CG2 4.21Å |
| 899 | T | 95.4 | Very high | 94.9 | Very high | 38 Ų | 38 | 40.1 Ų | 40.1 | 23% | 0.233 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -106.4 | -2 | 172.4 | 68.1 | 0 | 0 | 0 | 0 | 113.4 | A895 F897 S901 L997 A998 | A895-T899 WeakPolarHBondContact O-CB 3.31Å; A895-T899 VanDerWaalsContact O-CG2 3.25Å; A895-T899 WeakPolarHBondContact O-CG2 3.44Å; A895-T899 PolarHBondContact O-OG1 3.32Å; F897-T899 VanDerWaalsContact C-N 3.31Å; F897-T899 PolarHBondContact O-N 3.43Å; T899-S901 PolarHBondContact O-N 3.32Å; T899-L997 HydrophobicContact CG2-CB 4.03Å; T899-L997 HydrophobicContact CG2-CD2 3.87Å; T899-L997 HydrophobicContact CG2-CG 3.84Å; T899-A998 HydrophobicContact CG2-CB 4.01Å |
| 900 | S | 94.5 | Very high | 94.6 | Very high | 24 Ų | 24 | 42.8 Ų | 42.8 | 17% | 0.168 | 23% | 0.225 | C | C | . | . | trans | -65.5 | 124.5 | 177.2 | 177.2 | 0 | 0 | 0 | 0 | 111.2 | E857 V896 F897 R902 I903 | E857-S900 PolarHBondContact OE1-OG 3.46Å; V896-S900 PolarHBondContact O-N 3.06Å; F897-S900 PolarHBondContact O-N 3.39Å; S900-R902 PolarHBondContact O-N 3.19Å; S900-R902 VanDerWaalsContact O-N 3.14Å; S900-R902 PolarHBondContact OG-N 2.92Å; S900-I903 PolarHBondContact O-N 3.34Å | ||
| 901 | S | 92.1 | Very high | 94.5 | Very high | 123 Ų | 123 | 43.7 Ų | 43.7 | 86% | 0.86 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -14.4 | 174.6 | 62.9 | 0 | 0 | 0 | 0 | 114.5 | T899 | T899-S901 PolarHBondContact O-N 3.32Š|
| 902 | R | 92 | Very high | 94.4 | Very high | 188 Ų | 188 | 40.2 Ų | 40.2 | 71% | 0.709 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -11.1 | -179.9 | -68.2 | 172.1 | 170.6 | -171 | 0.7 | 113.1 | E857 S900 | E857-R902 VanDerWaalsContact CD-CD 3.45Å; E857-R902 HydrophobicContact CG-CB 4.26Å; E857-R902 WeakPolarHBondContact OE2-CD 3.42Å; E857-R902 IonicContact OE2-CZ 2.91Å; E857-R902 IonicContact OE2-NE 2.74Å; E857-R902 IonicContact OE2-NH1 3.93Å; E857-R902 PolarHBondContact OE2-NH1 3.5Å; S900-R902 PolarHBondContact O-N 3.19Å; S900-R902 VanDerWaalsContact O-N 3.14Å; S900-R902 PolarHBondContact OG-N 2.92Å |
| 903 | I | 91.6 | Very high | 94.3 | Very high | 27 Ų | 27 | 39.3 Ų | 39.3 | 14% | 0.138 | 21% | 0.211 | C | C | . | . | trans | -100.1 | 118 | -177.3 | -61.3 | -180 | 0 | 0 | 0 | 109 | V853 Y856 E857 F897 S900 L905 | V853-I903 HydrophobicContact CG1-CD1 4.25Å; Y856-I903 HydrophobicContact CD1-CD1 3.72Å; Y856-I903 HydrophobicContact CD1-CG1 4.33Å; Y856-I903 HydrophobicContact CE1-CD1 3.6Å; Y856-I903 HydrophobicContact CE1-CG1 3.94Å; Y856-I903 HydrophobicContact CE1-CG2 4.39Å; E857-I903 HydrophobicContact CG-CD1 4.43Å; E857-I903 HydrophobicContact CG-CG1 4.29Å; F897-I903 HydrophobicContact CD2-CD1 3.39Å; F897-I903 HydrophobicContact CE2-CD1 3.59Å; F897-I903 HydrophobicContact CE2-CG2 4.4Å; F897-I903 HydrophobicContact CG-CD1 4.46Å; F897-I903 WeakPolarHBondContact O-CD1 3.32Å; S900-I903 PolarHBondContact O-N 3.34Å; I903-L905 PolarHBondContact O-N 2.95Å | ||
| 904 | N | 91.8 | Very high | 94 | Very high | 80 Ų | 80 | 42 Ų | 42 | 43% | 0.428 | 23% | 0.23 | S | C | . | . | trans | -83.8 | 90.8 | 174.6 | -174.6 | -1.8 | 0 | 0 | 0 | 109.9 | N906 E907 L908 | N904-N906 PolarHBondContact O-N 3.19Å; N904-N906 PolarHBondContact OD1-N 3.46Å; N904-E907 HydrophobicContact CB-CB 4.03Å; N904-E907 WeakPolarHBondContact ND2-CB 3.45Å; N904-E907 PolarHBondContact ND2-OE2 3.23Å; N904-E907 VanDerWaalsContact ND2-OE2 3.11Å; N904-E907 PolarHBondContact O-N 3.17Å; N904-E907 VanDerWaalsContact O-N 3.16Å; N904-E907 PolarHBondContact OD1-N 3Å; N904-L908 PolarHBondContact O-N 3.43Å; N904-L908 VanDerWaalsContact O-N 3.1Å | ||
| 905 | L | 92.9 | Very high | 93.8 | Very high | 26 Ų | 26 | 41.7 Ų | 41.7 | 14% | 0.136 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.9 | -36.1 | -178.4 | -174.7 | 62.6 | 0 | 0 | 0 | 112.7 | L898 I903 C909 N1001 V1002 | L898-L905 HydrophobicContact CD2-CD1 3.96Å; I903-L905 PolarHBondContact O-N 2.95Å; L905-C909 WeakPolarHBondContact O-CB 3.29Å; L905-C909 PolarHBondContact O-N 2.99Å; L905-C909 PolarHBondContact O-SG 3.3Å; L905-C909 VanDerWaalsContact O-SG 3.35Å; L905-N1001 HydrophobicContact CD2-CB 4.17Å; L905-V1002 HydrophobicContact CD2-CG2 4.2Å |
| 906 | N | 91.2 | Very high | 93.6 | Very high | 75 Ų | 75 | 41 Ų | 41 | 40% | 0.401 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.1 | -49.9 | 177.9 | -63.9 | -72 | 0 | 0 | 0 | 111.2 | N904 L908 C909 D910 W1005 | N904-N906 PolarHBondContact O-N 3.19Å; N904-N906 PolarHBondContact OD1-N 3.46Å; N906-L908 VanDerWaalsContact C-N 3.34Å; N906-L908 PolarHBondContact O-N 3.35Å; N906-C909 PolarHBondContact O-N 3.23Å; N906-D910 VanDerWaalsContact O-CB 3.24Å; N906-D910 WeakPolarHBondContact O-CB 3.4Å; N906-D910 PolarHBondContact O-N 3.4Å; N906-W1005 VanDerWaalsContact OD1-CD1 3.25Å |
| 907 | E | 92 | Very high | 93.1 | Very high | 84 Ų | 84 | 42.2 Ų | 42.2 | 39% | 0.393 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.8 | -39.7 | -178.7 | -178.9 | 176.9 | -177.2 | 0 | 0 | 112 | N904 T911 | N904-E907 HydrophobicContact CB-CB 4.03Å; N904-E907 WeakPolarHBondContact ND2-CB 3.45Å; N904-E907 PolarHBondContact ND2-OE2 3.23Å; N904-E907 VanDerWaalsContact ND2-OE2 3.11Å; N904-E907 PolarHBondContact O-N 3.17Å; N904-E907 VanDerWaalsContact O-N 3.16Å; N904-E907 PolarHBondContact OD1-N 3Å; E907-T911 WeakPolarHBondContact O-CB 3.38Å; E907-T911 PolarHBondContact O-N 3.06Å; E907-T911 PolarHBondContact O-OG1 3.37Å |
| 908 | L | 94.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63 | -50.1 | 175.5 | -179.4 | 63.6 | 0 | 0 | 0 | 111.6 | L864 F883 F897 N904 N906 T911 A912 F959 | L864-L908 HydrophobicContact CD2-CD1 4.48Å; F883-L908 HydrophobicContact CE1-CD1 3.75Å; F883-L908 HydrophobicContact CE1-CG 4.4Å; F883-L908 HydrophobicContact CZ-CD1 4.33Å; F897-L908 HydrophobicContact CE1-CD2 4.47Å; F897-L908 HydrophobicContact CZ-CD2 3.77Å; N904-L908 PolarHBondContact O-N 3.43Å; N904-L908 VanDerWaalsContact O-N 3.1Å; N906-L908 VanDerWaalsContact C-N 3.34Å; N906-L908 PolarHBondContact O-N 3.35Å; L908-T911 PolarHBondContact O-N 3.34Å; L908-A912 WeakPolarHBondContact O-CB 3.37Å; L908-A912 PolarHBondContact O-N 3.07Å; L908-F959 HydrophobicContact CD2-CE2 4.48Å; L908-F959 HydrophobicContact CD2-CZ 3.9Å; L908-F959 HydrophobicContact CG-CE1 4.45Å; L908-F959 HydrophobicContact CG-CZ 4.24Å |
| 909 | C | 95.4 | Very high | 90.9 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.007 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.2 | -35.8 | 179.8 | -69 | 0 | 0 | 0 | 0 | 112.2 | L905 N906 A912 V913 F960 W1005 | L905-C909 WeakPolarHBondContact O-CB 3.29Å; L905-C909 PolarHBondContact O-N 2.99Å; L905-C909 PolarHBondContact O-SG 3.3Å; L905-C909 VanDerWaalsContact O-SG 3.35Å; N906-C909 PolarHBondContact O-N 3.23Å; C909-A912 WeakPolarHBondContact O-CB 3.45Å; C909-A912 PolarHBondContact O-N 3.13Å; C909-V913 WeakPolarHBondContact O-CG2 3.11Å; C909-V913 PolarHBondContact O-N 2.86Å; C909-F960 HydrophobicContact CB-CE1 4.41Å; C909-W1005 HydrophobicContact CB-CD2 4.05Å; C909-W1005 VanDerWaalsContact CB-CE2 3.45Å; C909-W1005 HydrophobicContact CB-CE3 4.44Å; C909-W1005 HydrophobicContact CB-CH2 3.88Å; C909-W1005 HydrophobicContact CB-CZ2 3.39Å; C909-W1005 HydrophobicContact CB-CZ3 4.36Å |
| 910 | D | 92.5 | Very high | 88.7 | Confident | 56 Ų | 56 | 47 Ų | 47 | 30% | 0.299 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67.5 | -39.1 | 177.5 | -68.2 | -5.3 | 0 | 0 | 0 | 111.7 | N906 A912 V913 S914 R1028 | N906-D910 VanDerWaalsContact O-CB 3.24Å; N906-D910 WeakPolarHBondContact O-CB 3.4Å; N906-D910 PolarHBondContact O-N 3.4Å; D910-A912 VanDerWaalsContact C-N 3.34Å; D910-V913 PolarHBondContact O-N 2.97Å; D910-S914 WeakPolarHBondContact O-CB 3.43Å; D910-S914 PolarHBondContact O-N 3.13Å; D910-S914 PolarHBondContact O-OG 2.91Å; D910-R1028 IonicContact OD1-CZ 3.7Å; D910-R1028 IonicContact OD1-NH1 2.77Å; D910-R1028 PolarHBondContact OD1-NH1 3.42Å; D910-R1028 IonicContact OD1-NH2 2.66Å; D910-R1028 PolarHBondContact OD1-NH2 2.63Å; D910-R1028 IonicContact OD2-NH1 3.03Å |
| 911 | T | 93.9 | Very high | 86 | Confident | 23 Ų | 23 | 49.8 Ų | 49.8 | 14% | 0.141 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -62 | -44.8 | 170.4 | -55.7 | 0 | 0 | 0 | 0 | 110 | L864 I867 L872 F883 E907 L908 S914 S915 | L864-T911 HydrophobicContact CD2-CG2 4.3Å; I867-T911 HydrophobicContact CD1-CG2 3.76Å; I867-T911 HydrophobicContact CG1-CG2 4.25Å; L872-T911 HydrophobicContact CD1-CG2 4.03Å; F883-T911 HydrophobicContact CE2-CG2 4.37Å; F883-T911 HydrophobicContact CZ-CG2 4.18Å; E907-T911 WeakPolarHBondContact O-CB 3.38Å; E907-T911 PolarHBondContact O-N 3.06Å; E907-T911 PolarHBondContact O-OG1 3.37Å; L908-T911 PolarHBondContact O-N 3.34Å; T911-S914 PolarHBondContact O-N 2.78Å; T911-S915 PolarHBondContact O-N 3.35Å; T911-S915 PolarHBondContact O-OG 3.43Å |
| 912 | A | 95.2 | Very high | 83.1 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.4 | -44.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | F883 L908 C909 D910 S914 S915 L916 F959 F960 | F883-A912 HydrophobicContact CD1-CB 4.27Å; F883-A912 HydrophobicContact CE1-CB 3.48Å; F883-A912 VanDerWaalsContact CE1-CB 3.48Å; F883-A912 HydrophobicContact CE2-CB 4.26Å; F883-A912 VanDerWaalsContact CZ-CA 3.41Å; F883-A912 HydrophobicContact CZ-CB 3.48Å; F883-A912 VanDerWaalsContact CZ-CB 3.48Å; L908-A912 WeakPolarHBondContact O-CB 3.37Å; L908-A912 PolarHBondContact O-N 3.07Å; C909-A912 WeakPolarHBondContact O-CB 3.45Å; C909-A912 PolarHBondContact O-N 3.13Å; D910-A912 VanDerWaalsContact C-N 3.34Å; A912-S914 VanDerWaalsContact C-N 3.3Å; A912-S914 PolarHBondContact O-N 3.47Å; A912-S915 WeakPolarHBondContact O-CB 3.29Å; A912-S915 PolarHBondContact O-N 3.46Å; A912-L916 PolarHBondContact O-N 3.2Å; A912-F959 HydrophobicContact CB-CD1 3.99Å; A912-F959 HydrophobicContact CB-CE1 4.17Å; A912-F960 HydrophobicContact CB-CD2 4.33Å; A912-F960 HydrophobicContact CB-CE1 4.34Å; A912-F960 HydrophobicContact CB-CE2 3.43Å; A912-F960 VanDerWaalsContact CB-CE2 3.43Å; A912-F960 HydrophobicContact CB-CZ 3.43Å; A912-F960 VanDerWaalsContact CB-CZ 3.43Å |
| 913 | V | 94.8 | Very high | 79.9 | Confident | 13 Ų | 13 | 44.5 Ų | 44.5 | 8% | 0.079 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.4 | -43.2 | 176.1 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | C909 D910 S915 L916 F960 W1005 L1029 A1032 | C909-V913 WeakPolarHBondContact O-CG2 3.11Å; C909-V913 PolarHBondContact O-N 2.86Å; D910-V913 PolarHBondContact O-N 2.97Å; V913-S915 VanDerWaalsContact C-N 3.32Å; V913-S915 PolarHBondContact O-N 3Å; V913-L916 WeakPolarHBondContact O-CB 3.44Å; V913-L916 PolarHBondContact O-N 2.75Å; V913-F960 HydrophobicContact CG2-CE2 4.14Å; V913-F960 HydrophobicContact CG2-CZ 3.64Å; V913-W1005 HydrophobicContact CG2-CH2 4.12Å; V913-W1005 HydrophobicContact CG2-CZ2 4.25Å; V913-L1029 HydrophobicContact CG2-CB 4.32Å; V913-L1029 HydrophobicContact CG2-CD1 4.33Å; V913-A1032 HydrophobicContact CG1-CB 3.63Å |
| 914 | S | 92.1 | Very high | 76.8 | Confident | 59 Ų | 59 | 46.2 Ų | 46.2 | 41% | 0.413 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.3 | -37.4 | 178.7 | -57.5 | 0 | 0 | 0 | 0 | 111.8 | D910 T911 A912 L916 N917 | D910-S914 WeakPolarHBondContact O-CB 3.43Å; D910-S914 PolarHBondContact O-N 3.13Å; D910-S914 PolarHBondContact O-OG 2.91Å; T911-S914 PolarHBondContact O-N 2.78Å; A912-S914 VanDerWaalsContact C-N 3.3Å; A912-S914 PolarHBondContact O-N 3.47Å; S914-L916 PolarHBondContact O-N 3.27Å; S914-N917 PolarHBondContact O-N 3.49Å |
| 915 | S | 92.2 | Very high | 73.8 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.3 | -24.3 | 178.3 | -61.3 | 0 | 0 | 0 | 0 | 113.9 | V879 T911 A912 V913 N917 L918 S953 | V879-S915 WeakPolarHBondContact CG1-OG 3.25Å; T911-S915 PolarHBondContact O-N 3.35Å; T911-S915 PolarHBondContact O-OG 3.43Å; A912-S915 WeakPolarHBondContact O-CB 3.29Å; A912-S915 PolarHBondContact O-N 3.46Å; V913-S915 VanDerWaalsContact C-N 3.32Å; V913-S915 PolarHBondContact O-N 3Å; S915-N917 PolarHBondContact O-N 2.95Å; S915-L918 WeakPolarHBondContact O-CB 3.34Å; S915-L918 WeakPolarHBondContact O-CG 3.46Å; S915-L918 PolarHBondContact O-N 2.91Å; S915-L918 VanDerWaalsContact O-N 3.14Å; S915-S953 WeakPolarHBondContact O-CA 3.38Å; S915-S953 WeakPolarHBondContact O-CB 3.41Å |
| 916 | L | 90.8 | Very high | 70.6 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -25.7 | 177 | -62.6 | 172.4 | 0 | 0 | 0 | 112.3 | A912 V913 S914 A956 A957 F960 L1029 L1033 L1041 M1049 | A912-L916 PolarHBondContact O-N 3.2Å; V913-L916 WeakPolarHBondContact O-CB 3.44Å; V913-L916 PolarHBondContact O-N 2.75Å; S914-L916 PolarHBondContact O-N 3.27Å; L916-A956 HydrophobicContact CD2-CB 4.23Å; L916-A957 HydrophobicContact CD2-CB 3.9Å; L916-F960 HydrophobicContact CD1-CD2 4.23Å; L916-F960 HydrophobicContact CD1-CE2 4.06Å; L916-F960 HydrophobicContact CG-CE2 4.5Å; L916-L1029 HydrophobicContact CD1-CD1 3.37Å; L916-L1033 HydrophobicContact CD1-CD2 3.88Å; L916-L1033 HydrophobicContact CD1-CG 4.42Å; L916-L1041 WeakPolarHBondContact O-CD1 3.31Å; L916-M1049 HydrophobicContact CB-CE 4.45Å; L916-M1049 HydrophobicContact CD2-CE 4.1Å; L916-M1049 HydrophobicContact CD2-SD 4.23Å |
| 917 | N | 85.3 | Confident | 67.4 | Low | 58 Ų | 58 | 49.6 Ų | 49.6 | 31% | 0.31 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 1.3 | 178.5 | -71.3 | -50.6 | 0 | 0 | 0 | 113.8 | S914 S915 C919 A1032 A1036 | S914-N917 PolarHBondContact O-N 3.49Å; S915-N917 PolarHBondContact O-N 2.95Å; N917-C919 PolarHBondContact O-N 3.41Å; N917-C919 VanDerWaalsContact O-N 3.14Å; N917-A1032 PolarHBondContact OD1-O 3.15Å; N917-A1036 WeakPolarHBondContact OD1-CB 3.24Å |
| 918 | L | 82.5 | Confident | 64.2 | Low | 13 Ų | 13 | 50.8 Ų | 50.8 | 7% | 0.068 | 38% | 0.376 | C | S | . | . | trans | -71 | 109.9 | 178.2 | -68.1 | 173.3 | 0 | 0 | 0 | 110.6 | L872 I873 V879 S915 C920 A952 | L872-L918 HydrophobicContact CD2-CD2 4.29Å; L872-L918 HydrophobicContact CD2-CG 4.48Å; L872-L918 HydrophobicContact CG-CD1 4.09Å; L872-L918 HydrophobicContact CG-CD2 4.11Å; L872-L918 HydrophobicContact CG-CG 4.38Å; I873-L918 HydrophobicContact CB-CD2 4.35Å; I873-L918 HydrophobicContact CG1-CD2 3.72Å; V879-L918 HydrophobicContact CG1-CD1 4.29Å; S915-L918 WeakPolarHBondContact O-CB 3.34Å; S915-L918 WeakPolarHBondContact O-CG 3.46Å; S915-L918 PolarHBondContact O-N 2.91Å; S915-L918 VanDerWaalsContact O-N 3.14Å; L918-C920 PolarHBondContact O-N 2.95Å; L918-A952 HydrophobicContact CD1-CB 3.73Å | ||
| 919 | C | 65.4 | Low | 60.9 | Low | 80 Ų | 80 | 54.8 Ų | 54.8 | 54% | 0.541 | 40% | 0.404 | S | S | . | . | trans | -74.4 | 87.1 | 169 | -57.4 | 0 | 0 | 0 | 0 | 109.4 | N917 A921 G1040 | N917-C919 PolarHBondContact O-N 3.41Å; N917-C919 VanDerWaalsContact O-N 3.14Å; C919-A921 PolarHBondContact O-N 3.29Å; C919-G1040 PolarHBondContact SG-O 2.9Å | ||
| 920 | C | 50.2 | Low | 57.5 | Low | 55 Ų | 55 | 61.2 Ų | 61.2 | 37% | 0.372 | 44% | 0.439 | S | S | . | . | trans | -77.3 | 73.3 | 167.8 | -63.4 | 0 | 0 | 0 | 0 | 109.6 | L918 | L918-C920 PolarHBondContact O-N 2.95Š| ||
| 921 | A | 38.2 | Very low | 54.5 | Low | 84 Ų | 84 | 62.5 Ų | 62.5 | 69% | 0.694 | 45% | 0.445 | S | S | * | . | trans | -130.3 | 64.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | C919 | C919-A921 PolarHBondContact O-N 3.29Š| ||
| 922 | G | 29.8 | Very low | 51.2 | Low | 47 Ų | 47 | 65.4 Ų | 65.4 | 49% | 0.485 | 46% | 0.463 | S | S | . | . | trans | -102.2 | 132.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | G924 A925 | G922-G924 PolarHBondContact O-N 2.99Å; G922-A925 PolarHBondContact O-N 3.25Å | ||
| 923 | P | 25.7 | Very low | 47.8 | Very low | 152 Ų | 152 | 71.1 Ų | 71.1 | 99% | 0.987 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | 26.1 | 178.5 | 28.4 | -34.4 | 0 | 0 | 0 | 114.4 | ||
| 924 | G | 26.4 | Very low | 44.6 | Very low | 63 Ų | 63 | 73.3 Ų | 73.3 | 65% | 0.649 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.3 | 3.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | G922 | G922-G924 PolarHBondContact O-N 2.99Š|
| 925 | A | 27.8 | Very low | 41.4 | Very low | 69 Ų | 69 | 75.5 Ų | 75.5 | 57% | 0.57 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -97.7 | 3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114 | G922 | G922-A925 PolarHBondContact O-N 3.25Š|
| 926 | G | 26.5 | Very low | 38.4 | Very low | 72 Ų | 72 | 79.7 Ų | 79.7 | 74% | 0.742 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -107.4 | 8.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 927 | S | 23.4 | Very low | 35.3 | Very low | 111 Ų | 111 | 84.3 Ų | 84.3 | 78% | 0.776 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -114.8 | 30.7 | -171.9 | 73.7 | 0 | 0 | 0 | 0 | 115 | ||
| 928 | S | 24.5 | Very low | 32.6 | Very low | 109 Ų | 109 | 87 Ų | 87 | 76% | 0.762 | 60% | 0.6 | S | S | * | * | trans | -145.5 | 66 | 169 | 67.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 929 | S | 26.1 | Very low | 29.8 | Very low | 85 Ų | 85 | 91.9 Ų | 91.9 | 59% | 0.594 | 64% | 0.635 | S | S | * | * | trans | -135.5 | 72.2 | 165.9 | 62.8 | 0 | 0 | 0 | 0 | 109.8 | D931 | S929-D931 PolarHBondContact O-N 3.49Š| ||
| 930 | D | 24.9 | Very low | 27.9 | Very low | 136 Ų | 136 | 95.5 Ų | 95.5 | 73% | 0.727 | 65% | 0.649 | S | S | * | * | trans | -69.5 | 69.9 | 148.7 | -92.2 | -19.4 | 0 | 0 | 0 | 107.7 | ||||
| 931 | D | 27.9 | Very low | 26.7 | Very low | 83 Ų | 83 | 100.3 Ų | 100.3 | 44% | 0.444 | 67% | 0.671 | S | S | . | * | trans | -123.8 | 69.2 | 158 | -97.8 | -40.8 | 0 | 0 | 0 | 105.3 | R720 S929 P933 | R720-D931 IonicContact CZ-OD1 2.71Å; R720-D931 IonicContact NH1-OD1 2.92Å; R720-D931 PolarHBondContact NH1-OD1 3.46Å; R720-D931 IonicContact NH2-OD1 2.67Å; R720-D931 PolarHBondContact NH2-OD1 3.45Å; R720-D931 VanDerWaalsContact NH2-OD1 3.12Å; S929-D931 PolarHBondContact O-N 3.49Å; D931-P933 WeakPolarHBondContact O-CD 3.32Å | ||
| 932 | T | 24.6 | Very low | 26 | Very low | 84 Ų | 84 | 104.7 Ų | 104.7 | 52% | 0.515 | 68% | 0.677 | S | S | . | * | P | Polyproline II helix | trans | -55.6 | 119.3 | 167 | 35.7 | 0 | 0 | 0 | 0 | 108.1 | D934 | T932-D934 PolarHBondContact O-N 3.45Š|
| 933 | P | 25.2 | Very low | 25.6 | Very low | 121 Ų | 121 | 108.3 Ų | 108.3 | 79% | 0.786 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 117.2 | 174.2 | 24.9 | -24.8 | 0 | 0 | 0 | 107.4 | D931 P935 | D931-P933 WeakPolarHBondContact O-CD 3.32Å; P933-P935 VanDerWaalsContact O-CD 3.31Å; P933-P935 WeakPolarHBondContact O-CD 3.33Å |
| 934 | D | 26.7 | Very low | 25.6 | Very low | 58 Ų | 58 | 106.7 Ų | 106.7 | 31% | 0.31 | 69% | 0.687 | S | S | . | * | P | Polyproline II helix | trans | -61 | 117.1 | 179.9 | 173.5 | 46.5 | 0 | 0 | 0 | 111.2 | R650 T932 N936 | R650-D934 IonicContact CZ-OD1 3.94Å; R650-D934 IonicContact CZ-OD2 2.65Å; R650-D934 IonicContact NH1-OD1 2.68Å; R650-D934 PolarHBondContact NH1-OD1 3.23Å; R650-D934 IonicContact NH1-OD2 3.18Å; R650-D934 PolarHBondContact NH1-OD2 2.8Å; R650-D934 IonicContact NH2-OD1 3.77Å; R650-D934 PolarHBondContact NH2-OD1 3.35Å; R650-D934 IonicContact NH2-OD2 2.9Å; R650-D934 PolarHBondContact NH2-OD2 3.26Å; T932-D934 PolarHBondContact O-N 3.45Å; D934-N936 PolarHBondContact O-N 3.05Å |
| 935 | P | 26 | Very low | 25.5 | Very low | 105 Ų | 105 | 108.5 Ų | 108.5 | 68% | 0.682 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | 36.6 | -174.6 | 31.9 | -34 | 0 | 0 | 0 | 112.9 | K490 P933 | K490-P935 PolarHBondContact NZ-O 3.49Å; P933-P935 VanDerWaalsContact O-CD 3.31Å; P933-P935 WeakPolarHBondContact O-CD 3.33Å |
| 936 | N | 29.7 | Very low | 25.4 | Very low | 89 Ų | 89 | 110.2 Ų | 110.2 | 48% | 0.476 | 70% | 0.698 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -137.6 | 7.5 | -173.4 | -84.8 | -37.5 | 0 | 0 | 0 | 115.4 | K490 D934 P938 | K490-N936 WeakPolarHBondContact CE-OD1 3.41Å; K490-N936 VanDerWaalsContact NZ-CG 3.29Å; K490-N936 PolarHBondContact NZ-ND2 3.16Å; K490-N936 PolarHBondContact NZ-OD1 3.06Å; D934-N936 PolarHBondContact O-N 3.05Å; N936-P938 WeakPolarHBondContact O-CD 3.33Å |
| 937 | S | 25.7 | Very low | 25.4 | Very low | 97 Ų | 97 | 112.5 Ų | 112.5 | 68% | 0.678 | 70% | 0.703 | S | S | * | * | trans | -82.4 | 118.2 | 168.9 | 56.3 | 0 | 0 | 0 | 0 | 110.4 | S939 | S937-S939 PolarHBondContact O-N 3.16Š| ||
| 938 | P | 27.9 | Very low | 25.7 | Very low | 114 Ų | 114 | 110 Ų | 110 | 74% | 0.74 | 69% | 0.689 | S | S | * | * | trans | -64.8 | 130.5 | 173.2 | 27.2 | -30.6 | 0 | 0 | 0 | 108.9 | N936 N940 | N936-P938 WeakPolarHBondContact O-CD 3.33Å; P938-N940 PolarHBondContact O-N 3.42Å | ||
| 939 | S | 23 | Very low | 26.4 | Very low | 116 Ų | 116 | 109.8 Ų | 109.8 | 81% | 0.811 | 69% | 0.687 | S | S | * | * | trans | -41.9 | 108.6 | 169.9 | 50 | 0 | 0 | 0 | 0 | 111.4 | S937 | S937-S939 PolarHBondContact O-N 3.16Š| ||
| 940 | N | 26.3 | Very low | 27.8 | Very low | 155 Ų | 155 | 107.2 Ų | 107.2 | 83% | 0.829 | 67% | 0.668 | S | S | * | * | trans | -133 | 130.9 | 153.6 | -91 | -17.6 | 0 | 0 | 0 | 107 | P938 | P938-N940 PolarHBondContact O-N 3.42Š| ||
| 941 | D | 23.7 | Very low | 30.3 | Very low | 156 Ų | 156 | 101.4 Ų | 101.4 | 83% | 0.834 | 64% | 0.638 | S | S | * | * | trans | -54.6 | 166.8 | -173.5 | -65.4 | -62.8 | 0 | 0 | 0 | 114.9 | ||||
| 942 | E | 24 | Very low | 33.2 | Very low | 177 Ų | 177 | 97.5 Ų | 97.5 | 83% | 0.827 | 62% | 0.617 | S | S | * | * | trans | 101.6 | 90.9 | 163.4 | -53.8 | -172.4 | 164.4 | 0 | 0 | 117.2 | ||||
| 943 | S | 22.6 | Very low | 36.2 | Very low | 122 Ų | 122 | 93.5 Ų | 93.5 | 85% | 0.853 | 59% | 0.593 | S | S | * | * | trans | 47 | 80.7 | 140.5 | 61.4 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 944 | S | 24.3 | Very low | 39.3 | Very low | 118 Ų | 118 | 88 Ų | 88 | 83% | 0.825 | 56% | 0.557 | S | S | * | * | trans | -147.5 | 96.4 | 149.7 | 50 | 0 | 0 | 0 | 0 | 110 | S946 | S944-S946 PolarHBondContact O-N 3.36Š| ||
| 945 | S | 24.7 | Very low | 42.5 | Very low | 101 Ų | 101 | 85.4 Ų | 85.4 | 71% | 0.706 | 54% | 0.544 | S | S | * | . | trans | -60.7 | 117.8 | 174.7 | 52.8 | 0 | 0 | 0 | 0 | 110.9 | S947 | S945-S947 PolarHBondContact O-N 3.18Š| ||
| 946 | S | 25 | Very low | 45.8 | Very low | 106 Ų | 106 | 80.4 Ų | 80.4 | 74% | 0.741 | 51% | 0.511 | S | S | * | . | trans | 16.5 | 92.2 | 149.8 | 51.1 | 0 | 0 | 0 | 0 | 116.7 | S944 A948 | S944-S946 PolarHBondContact O-N 3.36Å; S946-A948 VanDerWaalsContact C-N 3.26Å; S946-A948 PolarHBondContact O-N 3.19Å | ||
| 947 | S | 27.3 | Very low | 48.9 | Very low | 120 Ų | 120 | 76.1 Ų | 76.1 | 84% | 0.839 | 49% | 0.489 | S | S | * | . | trans | -84.1 | 37.7 | 175.6 | 62.3 | 0 | 0 | 0 | 0 | 114.3 | S945 | S945-S947 PolarHBondContact O-N 3.18Š| ||
| 948 | A | 29.3 | Very low | 52.2 | Low | 58 Ų | 58 | 75.7 Ų | 75.7 | 48% | 0.479 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -127.3 | 112 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | S946 | S946-A948 VanDerWaalsContact C-N 3.26Å; S946-A948 PolarHBondContact O-N 3.19Å |
| 949 | S | 38.4 | Very low | 55.5 | Low | 104 Ų | 104 | 70.3 Ų | 70.3 | 73% | 0.727 | 44% | 0.437 | S | S | * | . | trans | 76.3 | 56.1 | 176.7 | 77.3 | 0 | 0 | 0 | 0 | 117.9 | S951 | S949-S951 PolarHBondContact O-N 3.46Å; S949-S951 VanDerWaalsContact O-N 3.09Å | ||
| 950 | T | 56.2 | Low | 59.1 | Low | 31 Ų | 31 | 64.8 Ų | 64.8 | 19% | 0.19 | 40% | 0.398 | C | S | . | . | trans | -75.3 | 94.4 | 165.9 | 45.3 | 0 | 0 | 0 | 0 | 110.9 | E880 | E880-T950 WeakPolarHBondContact CG-O 3.32Å; E880-T950 PolarHBondContact OE1-OG1 3.44Å | ||
| 951 | S | 77.5 | Confident | 62.4 | Low | 14 Ų | 14 | 58.2 Ų | 58.2 | 10% | 0.098 | 36% | 0.363 | C | S | . | . | trans | -45.5 | 149.4 | 175.7 | 55.4 | 0 | 0 | 0 | 0 | 113.1 | S949 S953 A954 A955 R1045 | S949-S951 PolarHBondContact O-N 3.46Å; S949-S951 VanDerWaalsContact O-N 3.09Å; S951-S953 PolarHBondContact O-N 3.3Å; S951-S953 PolarHBondContact OG-OG 3.12Å; S951-A954 WeakPolarHBondContact O-CA 3.33Å; S951-A954 WeakPolarHBondContact O-CB 3.45Å; S951-A954 PolarHBondContact O-N 2.64Å; S951-A955 PolarHBondContact O-N 3.02Å; S951-A955 VanDerWaalsContact O-N 3.1Å; S951-R1045 PolarHBondContact OG-NE 3.11Å; S951-R1045 PolarHBondContact OG-NH2 2.95Å | ||
| 952 | A | 88.2 | Confident | 65.9 | Low | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.008 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -41.9 | -41.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | P876 V879 L918 A955 A956 | P876-A952 HydrophobicContact CB-CB 4.13Å; P876-A952 WeakPolarHBondContact O-CB 3.49Å; V879-A952 HydrophobicContact CB-CB 3.91Å; V879-A952 HydrophobicContact CG1-CB 3.83Å; L918-A952 HydrophobicContact CD1-CB 3.73Å; A952-A955 PolarHBondContact O-N 3.35Å; A952-A956 PolarHBondContact O-N 2.82Å |
| 953 | S | 89.4 | Confident | 69.4 | Low | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.007 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.9 | -38.1 | 176 | 53.8 | 0 | 0 | 0 | 0 | 113.5 | S915 S951 A956 A957 | S915-S953 WeakPolarHBondContact O-CA 3.38Å; S915-S953 WeakPolarHBondContact O-CB 3.41Å; S951-S953 PolarHBondContact O-N 3.3Å; S951-S953 PolarHBondContact OG-OG 3.12Å; S953-A956 PolarHBondContact O-N 3.29Å; S953-A957 WeakPolarHBondContact O-CB 3.38Å; S953-A957 PolarHBondContact O-N 3.03Å |
| 954 | A | 89.9 | Confident | 73 | Confident | 4 Ų | 4 | 39.4 Ų | 39.4 | 3% | 0.033 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -73.2 | -32.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S951 R958 | S951-A954 WeakPolarHBondContact O-CA 3.33Å; S951-A954 WeakPolarHBondContact O-CB 3.45Å; S951-A954 PolarHBondContact O-N 2.64Å; A954-R958 WeakPolarHBondContact O-CB 3.44Å; A954-R958 WeakPolarHBondContact O-CG 3.3Å; A954-R958 PolarHBondContact O-N 2.95Å; A954-R958 PolarHBondContact O-NH1 3.22Å |
| 955 | A | 93.1 | Very high | 76.4 | Confident | 4 Ų | 4 | 35.9 Ų | 35.9 | 3% | 0.033 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68 | -44.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | E880 F883 S951 A952 A957 R958 F959 | E880-A955 HydrophobicContact CB-CB 4.44Å; E880-A955 HydrophobicContact CG-CB 4.21Å; F883-A955 HydrophobicContact CB-CB 4.01Å; S951-A955 PolarHBondContact O-N 3.02Å; S951-A955 VanDerWaalsContact O-N 3.1Å; A952-A955 PolarHBondContact O-N 3.35Å; A955-A957 VanDerWaalsContact C-N 3.34Å; A955-A957 PolarHBondContact O-N 3.26Å; A955-R958 PolarHBondContact O-N 3.46Å; A955-F959 PolarHBondContact O-N 2.99Å |
| 956 | A | 94.7 | Very high | 79.9 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.9 | -39.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F883 L916 A952 S953 F959 F960 | F883-A956 HydrophobicContact CD2-CB 3.94Å; F883-A956 HydrophobicContact CE2-CB 4.31Å; F883-A956 HydrophobicContact CG-CB 4.26Å; L916-A956 HydrophobicContact CD2-CB 4.23Å; A952-A956 PolarHBondContact O-N 2.82Å; S953-A956 PolarHBondContact O-N 3.29Å; A956-F959 WeakPolarHBondContact O-CB 3.41Å; A956-F959 PolarHBondContact O-N 3.47Å; A956-F960 WeakPolarHBondContact O-CD2 3.22Å; A956-F960 PolarHBondContact O-N 3.15Å; A956-F960 VanDerWaalsContact O-N 3.14Å |
| 957 | A | 94.7 | Very high | 83.3 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.1 | -47.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L916 S953 A955 F959 F960 I961 E1048 M1049 I1052 | L916-A957 HydrophobicContact CD2-CB 3.9Å; S953-A957 WeakPolarHBondContact O-CB 3.38Å; S953-A957 PolarHBondContact O-N 3.03Å; A955-A957 VanDerWaalsContact C-N 3.34Å; A955-A957 PolarHBondContact O-N 3.26Å; A957-F959 VanDerWaalsContact C-N 3.31Å; A957-F959 PolarHBondContact O-N 3.45Å; A957-F960 PolarHBondContact O-N 3.31Å; A957-F960 VanDerWaalsContact O-N 3.1Å; A957-I961 WeakPolarHBondContact O-CG1 3.38Å; A957-I961 PolarHBondContact O-N 2.97Å; A957-E1048 HydrophobicContact CB-CB 3.86Å; A957-M1049 HydrophobicContact CB-SD 4.48Å; A957-I1052 HydrophobicContact CB-CD1 3.84Å |
| 958 | R | 95.8 | Very high | 86.5 | Confident | 88 Ų | 88 | 25.6 Ų | 25.6 | 33% | 0.332 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -58.3 | -41.2 | 174.3 | -76.8 | 179.8 | -178.3 | 81.8 | 2.5 | 112.3 | A954 A955 F960 I961 E962 E1048 | A954-R958 WeakPolarHBondContact O-CB 3.44Å; A954-R958 WeakPolarHBondContact O-CG 3.3Å; A954-R958 PolarHBondContact O-N 2.95Å; A954-R958 PolarHBondContact O-NH1 3.22Å; A955-R958 PolarHBondContact O-N 3.46Å; R958-F960 VanDerWaalsContact C-N 3.33Å; R958-F960 PolarHBondContact O-N 3.4Å; R958-I961 PolarHBondContact O-N 3.29Å; R958-E962 WeakPolarHBondContact O-CG 3.41Å; R958-E962 PolarHBondContact O-N 3.28Å; R958-E1048 IonicContact NH1-OE1 2.73Å; R958-E1048 IonicContact NH2-OE1 2.8Å |
| 959 | F | 97.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.3 | -45 | 173.9 | 166.7 | -111.5 | 0 | 0 | 0 | 111.9 | F883 C886 T887 V890 L908 A912 A955 A956 A957 L963 | F883-F959 HydrophobicContact CB-CB 4.29Å; F883-F959 HydrophobicContact CD1-CB 4.02Å; F883-F959 AromaticContact CD1-CD1 3.75Å; F883-F959 HydrophobicContact CD1-CD1 3.75Å; F883-F959 HydrophobicContact CD1-CE1 4.4Å; F883-F959 AromaticContact CD1-CG 3.87Å; F883-F959 HydrophobicContact CD1-CG 3.87Å; F883-F959 AromaticContact CE1-CD1 3.95Å; F883-F959 HydrophobicContact CE1-CD1 3.95Å; F883-F959 HydrophobicContact CE1-CE1 4.24Å; C886-F959 HydrophobicContact CB-CD2 3.62Å; C886-F959 HydrophobicContact CB-CE2 3.77Å; C886-F959 HydrophobicContact CB-CG 4.33Å; T887-F959 WeakPolarHBondContact OG1-CA 3.42Å; T887-F959 PolarHBondContact OG1-N 3.14Å; V890-F959 HydrophobicContact CG2-CD2 4.3Å; V890-F959 HydrophobicContact CG2-CE2 3.92Å; L908-F959 HydrophobicContact CD2-CE2 4.48Å; L908-F959 HydrophobicContact CD2-CZ 3.9Å; L908-F959 HydrophobicContact CG-CE1 4.45Å; L908-F959 HydrophobicContact CG-CZ 4.24Å; A912-F959 HydrophobicContact CB-CD1 3.99Å; A912-F959 HydrophobicContact CB-CE1 4.17Å; A955-F959 PolarHBondContact O-N 2.99Å; A956-F959 WeakPolarHBondContact O-CB 3.41Å; A956-F959 PolarHBondContact O-N 3.47Å; A957-F959 VanDerWaalsContact C-N 3.31Å; A957-F959 PolarHBondContact O-N 3.45Å; F959-L963 HydrophobicContact CE1-CD2 4.2Å; F959-L963 HydrophobicContact CZ-CD2 3.94Å; F959-L963 WeakPolarHBondContact O-CB 3.31Å; F959-L963 PolarHBondContact O-N 3.02Å |
| 960 | F | 97.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 0% | 0.004 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66 | -41.2 | 176.7 | -79.2 | -58.4 | 0 | 0 | 0 | 113.3 | C909 A912 V913 L916 A956 A957 R958 E962 L963 I964 W1005 L1029 I1052 | C909-F960 HydrophobicContact CB-CE1 4.41Å; A912-F960 HydrophobicContact CB-CD2 4.33Å; A912-F960 HydrophobicContact CB-CE1 4.34Å; A912-F960 HydrophobicContact CB-CE2 3.43Å; A912-F960 VanDerWaalsContact CB-CE2 3.43Å; A912-F960 HydrophobicContact CB-CZ 3.43Å; A912-F960 VanDerWaalsContact CB-CZ 3.43Å; V913-F960 HydrophobicContact CG2-CE2 4.14Å; V913-F960 HydrophobicContact CG2-CZ 3.64Å; L916-F960 HydrophobicContact CD1-CD2 4.23Å; L916-F960 HydrophobicContact CD1-CE2 4.06Å; L916-F960 HydrophobicContact CG-CE2 4.5Å; A956-F960 WeakPolarHBondContact O-CD2 3.22Å; A956-F960 PolarHBondContact O-N 3.15Å; A956-F960 VanDerWaalsContact O-N 3.14Å; A957-F960 PolarHBondContact O-N 3.31Å; A957-F960 VanDerWaalsContact O-N 3.1Å; R958-F960 VanDerWaalsContact C-N 3.33Å; R958-F960 PolarHBondContact O-N 3.4Å; F960-E962 PolarHBondContact O-N 2.82Å; F960-L963 HydrophobicContact CD1-CD2 4.41Å; F960-L963 PolarHBondContact O-N 3.2Å; F960-I964 HydrophobicContact CB-CD1 4.49Å; F960-I964 WeakPolarHBondContact O-CB 3.41Å; F960-I964 WeakPolarHBondContact O-CD1 3.5Å; F960-I964 WeakPolarHBondContact O-CG1 3.43Å; F960-I964 PolarHBondContact O-N 3.39Å; F960-W1005 AromaticContact CE1-CH2 3.84Å; F960-W1005 HydrophobicContact CE1-CH2 3.84Å; F960-W1005 HydrophobicContact CE1-CZ3 4.07Å; F960-W1005 HydrophobicContact CZ-CH2 4.26Å; F960-L1029 HydrophobicContact CD1-CD2 4.03Å; F960-L1029 HydrophobicContact CD2-CD1 3.98Å; F960-L1029 HydrophobicContact CE1-CD2 4.26Å; F960-L1029 HydrophobicContact CE2-CD1 3.92Å; F960-L1029 HydrophobicContact CG-CD1 4.4Å; F960-L1029 HydrophobicContact CG-CD2 4.22Å; F960-L1029 HydrophobicContact CZ-CD1 4.31Å; F960-I1052 HydrophobicContact CB-CD1 4.11Å; F960-I1052 HydrophobicContact CB-CG1 4.24Å |
| 961 | I | 97 | Very high | 94.1 | Very high | 17 Ų | 17 | 26.4 Ų | 26.4 | 9% | 0.087 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -56.8 | -52.4 | 177.5 | -67.7 | 166.2 | 0 | 0 | 0 | 109.8 | A957 R958 L963 I964 I965 D1051 I1052 | A957-I961 WeakPolarHBondContact O-CG1 3.38Å; A957-I961 PolarHBondContact O-N 2.97Å; R958-I961 PolarHBondContact O-N 3.29Å; I961-L963 PolarHBondContact O-N 3.47Å; I961-I964 PolarHBondContact O-N 2.86Å; I961-I965 HydrophobicContact CG2-CD1 3.69Å; I961-I965 VanDerWaalsContact O-CG1 3.28Å; I961-I965 WeakPolarHBondContact O-CG1 3.39Å; I961-I965 PolarHBondContact O-N 2.8Å; I961-D1051 HydrophobicContact CD1-CB 3.72Å; I961-D1051 HydrophobicContact CG1-CB 4.15Å; I961-I1052 HydrophobicContact CD1-CG1 4.36Å; I961-I1052 HydrophobicContact CG1-CG1 3.68Å |
| 962 | E | 97.4 | Very high | 94.9 | Very high | 56 Ų | 56 | 30 Ų | 30 | 26% | 0.262 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -65.9 | -38.9 | -179.3 | -64.3 | -74.2 | 162.6 | 0 | 0 | 112 | T887 V890 Q891 R958 F960 I964 I965 F966 | T887-E962 HydrophobicContact CG2-CB 4.5Å; T887-E962 HydrophobicContact CG2-CG 3.91Å; V890-E962 HydrophobicContact CG1-CB 4.27Å; Q891-E962 VanDerWaalsContact CG-OE2 3.3Å; Q891-E962 WeakPolarHBondContact CG-OE2 3.38Å; Q891-E962 PolarHBondContact NE2-OE1 3.06Å; Q891-E962 VanDerWaalsContact NE2-OE1 3.08Å; Q891-E962 PolarHBondContact NE2-OE2 3.03Å; R958-E962 WeakPolarHBondContact O-CG 3.41Å; R958-E962 PolarHBondContact O-N 3.28Å; F960-E962 PolarHBondContact O-N 2.82Å; E962-I964 PolarHBondContact O-N 3Å; E962-I965 PolarHBondContact O-N 3.21Å; E962-F966 WeakPolarHBondContact O-CB 3.31Å; E962-F966 PolarHBondContact O-N 3.47Å |
| 963 | L | 97.7 | Very high | 95 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.4 | -42.2 | 176.1 | -173.5 | 68.2 | 0 | 0 | 0 | 111.8 | V890 L898 F959 F960 I961 T967 V1002 | V890-L963 HydrophobicContact CG2-CD1 4.17Å; L898-L963 HydrophobicContact CD1-CD1 3.82Å; L898-L963 HydrophobicContact CD2-CD1 3.86Å; F959-L963 HydrophobicContact CE1-CD2 4.2Å; F959-L963 HydrophobicContact CZ-CD2 3.94Å; F959-L963 WeakPolarHBondContact O-CB 3.31Å; F959-L963 PolarHBondContact O-N 3.02Å; F960-L963 HydrophobicContact CD1-CD2 4.41Å; F960-L963 PolarHBondContact O-N 3.2Å; I961-L963 PolarHBondContact O-N 3.47Å; L963-T967 WeakPolarHBondContact O-CB 3.47Å; L963-T967 PolarHBondContact O-N 3.49Å; L963-T967 PolarHBondContact O-OG1 3.42Å; L963-V1002 HydrophobicContact CD1-CG1 4.46Å; L963-V1002 HydrophobicContact CD1-CG2 3.73Å; L963-V1002 HydrophobicContact CD2-CG1 4.13Å; L963-V1002 HydrophobicContact CG-CG1 4Å; L963-V1002 HydrophobicContact CG-CG2 4.19Å |
| 964 | I | 97.3 | Very high | 95.1 | Very high | 3 Ų | 3 | 35.7 Ų | 35.7 | 2% | 0.015 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -72.6 | -42.1 | 179.8 | -64.6 | 160 | 0 | 0 | 0 | 110.7 | F960 I961 E962 T967 N968 I1052 H1055 L1056 M1059 | F960-I964 HydrophobicContact CB-CD1 4.49Å; F960-I964 WeakPolarHBondContact O-CB 3.41Å; F960-I964 WeakPolarHBondContact O-CD1 3.5Å; F960-I964 WeakPolarHBondContact O-CG1 3.43Å; F960-I964 PolarHBondContact O-N 3.39Å; I961-I964 PolarHBondContact O-N 2.86Å; E962-I964 PolarHBondContact O-N 3Å; I964-T967 PolarHBondContact O-N 3.31Å; I964-N968 WeakPolarHBondContact O-CB 3.45Å; I964-N968 PolarHBondContact O-N 3.18Å; I964-I1052 HydrophobicContact CD1-CG2 4.04Å; I964-H1055 HydrophobicContact CB-CB 4.4Å; I964-H1055 HydrophobicContact CG2-CB 3.75Å; I964-L1056 HydrophobicContact CD1-CD2 3.69Å; I964-L1056 HydrophobicContact CD1-CG 3.81Å; I964-L1056 HydrophobicContact CG1-CD2 4.22Å; I964-M1059 HydrophobicContact CG2-CE 3.94Å; I964-M1059 HydrophobicContact CG2-SD 4.04Å |
| 965 | I | 96.5 | Very high | 95.1 | Very high | 44 Ų | 44 | 36 Ų | 36 | 23% | 0.226 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.1 | -52.6 | 175.7 | -69.8 | 168.8 | 0 | 0 | 0 | 110.2 | I961 E962 T967 N968 E969 | I961-I965 HydrophobicContact CG2-CD1 3.69Å; I961-I965 VanDerWaalsContact O-CG1 3.28Å; I961-I965 WeakPolarHBondContact O-CG1 3.39Å; I961-I965 PolarHBondContact O-N 2.8Å; E962-I965 PolarHBondContact O-N 3.21Å; I965-T967 VanDerWaalsContact C-N 3.28Å; I965-T967 PolarHBondContact O-N 3.07Å; I965-N968 PolarHBondContact O-N 3.16Å; I965-N968 VanDerWaalsContact O-N 3.17Å; I965-E969 WeakPolarHBondContact O-CG 3.28Å; I965-E969 PolarHBondContact O-N 3.24Å |
| 966 | F | 97 | Very high | 94.9 | Very high | 30 Ų | 30 | 38.8 Ų | 38.8 | 13% | 0.132 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -54.7 | -45.3 | 176.2 | 168.3 | -95 | 0 | 0 | 0 | 111.8 | V890 A894 L898 E962 N968 E969 A970 A998 | V890-F966 HydrophobicContact CG1-CB 3.89Å; V890-F966 HydrophobicContact CG1-CG 4.33Å; A894-F966 HydrophobicContact CB-CD1 4.13Å; A894-F966 HydrophobicContact CB-CD2 3.55Å; A894-F966 HydrophobicContact CB-CE1 3.93Å; A894-F966 HydrophobicContact CB-CE2 3.31Å; A894-F966 HydrophobicContact CB-CG 3.96Å; A894-F966 HydrophobicContact CB-CZ 3.52Å; L898-F966 HydrophobicContact CD1-CD1 3.8Å; L898-F966 HydrophobicContact CD1-CE1 3.66Å; E962-F966 WeakPolarHBondContact O-CB 3.31Å; E962-F966 PolarHBondContact O-N 3.47Å; F966-N968 VanDerWaalsContact C-N 3.35Å; F966-N968 PolarHBondContact O-N 2.94Å; F966-E969 PolarHBondContact O-N 2.84Å; F966-A970 HydrophobicContact CE1-CB 4.34Å; F966-A970 HydrophobicContact CE2-CB 4.04Å; F966-A970 HydrophobicContact CZ-CB 3.91Å; F966-A970 WeakPolarHBondContact O-CB 3.42Å; F966-A970 PolarHBondContact O-N 2.97Å; F966-A998 HydrophobicContact CE1-CB 3.68Å; F966-A998 HydrophobicContact CZ-CB 3.81Å |
| 967 | T | 96.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.8 | -42.7 | -178.9 | -60.7 | 0 | 0 | 0 | 0 | 111.5 | L963 I964 I965 E969 C971 A999 V1002 I1003 M1059 | L963-T967 WeakPolarHBondContact O-CB 3.47Å; L963-T967 PolarHBondContact O-N 3.49Å; L963-T967 PolarHBondContact O-OG1 3.42Å; I964-T967 PolarHBondContact O-N 3.31Å; I965-T967 VanDerWaalsContact C-N 3.28Å; I965-T967 PolarHBondContact O-N 3.07Å; T967-E969 VanDerWaalsContact C-N 3.34Å; T967-C971 WeakPolarHBondContact O-CB 3.3Å; T967-C971 PolarHBondContact O-N 3.19Å; T967-A999 HydrophobicContact CG2-CB 4.22Å; T967-V1002 HydrophobicContact CG2-CB 4.11Å; T967-V1002 HydrophobicContact CG2-CG1 4.19Å; T967-V1002 WeakPolarHBondContact OG1-CB 3.42Å; T967-V1002 VanDerWaalsContact OG1-CG1 3.31Å; T967-V1002 WeakPolarHBondContact OG1-CG1 3.45Å; T967-I1003 HydrophobicContact CG2-CD1 4.06Å; T967-I1003 HydrophobicContact CG2-CG1 3.48Å; T967-I1003 VanDerWaalsContact CG2-CG1 3.48Å; T967-M1059 HydrophobicContact CG2-SD 3.96Å |
| 968 | N | 94.6 | Very high | 94.5 | Very high | 80 Ų | 80 | 42.4 Ų | 42.4 | 43% | 0.428 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -68.1 | -32.2 | 178.9 | -173.3 | 68.8 | 0 | 0 | 0 | 112.7 | I964 I965 F966 M1059 | I964-N968 WeakPolarHBondContact O-CB 3.45Å; I964-N968 PolarHBondContact O-N 3.18Å; I965-N968 PolarHBondContact O-N 3.16Å; I965-N968 VanDerWaalsContact O-N 3.17Å; F966-N968 VanDerWaalsContact C-N 3.35Å; F966-N968 PolarHBondContact O-N 2.94Å; N968-M1059 HydrophobicContact CB-CG 4.27Å; N968-M1059 HydrophobicContact CB-SD 4.09Å |
| 969 | E | 94.8 | Very high | 94.2 | Very high | 152 Ų | 152 | 39.4 Ų | 39.4 | 71% | 0.71 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -78.8 | -34.2 | 177.7 | -70 | 177.3 | 177 | 0 | 0 | 113.2 | I965 F966 T967 | I965-E969 WeakPolarHBondContact O-CG 3.28Å; I965-E969 PolarHBondContact O-N 3.24Å; F966-E969 PolarHBondContact O-N 2.84Å; T967-E969 VanDerWaalsContact C-N 3.34Å |
| 970 | A | 95.6 | Very high | 93.8 | Very high | 21 Ų | 21 | 45.1 Ų | 45.1 | 17% | 0.174 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -99.1 | -7.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | F966 E972 A996 A999 | F966-A970 HydrophobicContact CE1-CB 4.34Å; F966-A970 HydrophobicContact CE2-CB 4.04Å; F966-A970 HydrophobicContact CZ-CB 3.91Å; F966-A970 WeakPolarHBondContact O-CB 3.42Å; F966-A970 PolarHBondContact O-N 2.97Å; A970-E972 PolarHBondContact O-N 2.95Å; A970-A996 WeakPolarHBondContact O-CA 3.45Å; A970-A999 HydrophobicContact CB-CB 3.97Å |
| 971 | C | 93.1 | Very high | 93.4 | Very high | 37 Ų | 37 | 46.7 Ų | 46.7 | 25% | 0.25 | 24% | 0.238 | C | C | . | . | trans | -69.9 | 130.1 | -178.3 | 65.7 | 0 | 0 | 0 | 0 | 112.8 | T967 A999 I1003 | T967-C971 WeakPolarHBondContact O-CB 3.3Å; T967-C971 PolarHBondContact O-N 3.19Å; C971-A999 HydrophobicContact CB-CB 4.2Å; C971-I1003 HydrophobicContact CB-CD1 3.59Å | ||
| 972 | E | 94.3 | Very high | 93 | Very high | 91 Ų | 91 | 47.5 Ų | 47.5 | 43% | 0.425 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -88.7 | -32.4 | 170.2 | -72.5 | 171.5 | -161.6 | 0 | 0 | 112.2 | A970 S992 A996 | A970-E972 PolarHBondContact O-N 2.95Å; E972-S992 WeakPolarHBondContact OE1-CA 3.48Å; E972-S992 WeakPolarHBondContact OE1-CB 3.46Å; E972-S992 PolarHBondContact OE1-N 3.02Å; E972-S992 PolarHBondContact OE1-OG 3.15Å; E972-S992 PolarHBondContact OE2-N 3.08Å; E972-A996 VanDerWaalsContact CD-CB 3.43Å; E972-A996 HydrophobicContact CG-CB 3.74Å; E972-A996 WeakPolarHBondContact OE1-CB 3.08Å |
| 973 | E | 90.6 | Very high | 92.4 | Very high | 51 Ų | 51 | 49.9 Ų | 49.9 | 24% | 0.238 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -109.2 | 135.4 | 177.1 | -62.8 | -65.2 | 157.4 | 0 | 0 | 109.4 | Q977 V978 P989 | E973-Q977 HydrophobicContact CB-CB 4.34Å; E973-Q977 VanDerWaalsContact OE2-CD 3.25Å; E973-Q977 PolarHBondContact OE2-NE2 3.33Å; E973-Q977 PolarHBondContact OE2-OE1 2.87Å; E973-V978 HydrophobicContact CB-CG2 3.93Å; E973-P989 HydrophobicContact CG-CG 3.77Å |
| 974 | T | 90.7 | Very high | 91.9 | Very high | 69 Ų | 69 | 53 Ų | 53 | 42% | 0.423 | 28% | 0.282 | S | S | . | . | trans | -65.1 | 153.1 | 174.3 | 63.7 | 0 | 0 | 0 | 0 | 110.9 | M976 Q977 V978 | T974-M976 PolarHBondContact O-N 3.38Å; T974-M976 VanDerWaalsContact O-N 3.11Å; T974-Q977 WeakPolarHBondContact O-CB 3.5Å; T974-Q977 PolarHBondContact O-N 3.43Å; T974-Q977 VanDerWaalsContact OG1-CG 3.32Å; T974-Q977 WeakPolarHBondContact OG1-CG 3.38Å; T974-Q977 PolarHBondContact OG1-N 2.98Å; T974-Q977 PolarHBondContact OG1-OE1 3.13Å; T974-V978 PolarHBondContact O-N 3.49Å; T974-V978 VanDerWaalsContact O-N 3.08Å | ||
| 975 | P | 90.2 | Very high | 91.2 | Very high | 11 Ų | 11 | 56.2 Ų | 56.2 | 7% | 0.071 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -52.9 | -36 | 177.1 | -29.2 | 36.3 | 0 | 0 | 0 | 114.2 | V978 V979 I1003 T1007 M1059 I1060 | P975-V978 PolarHBondContact O-N 3.07Å; P975-V979 VanDerWaalsContact O-CG2 3.32Å; P975-V979 WeakPolarHBondContact O-CG2 3.39Å; P975-V979 PolarHBondContact O-N 3.43Å; P975-I1003 HydrophobicContact CB-CG2 3.96Å; P975-I1003 HydrophobicContact CG-CG2 4.26Å; P975-T1007 HydrophobicContact CB-CG2 3.95Å; P975-M1059 HydrophobicContact CG-CG 4.09Å; P975-I1060 HydrophobicContact CB-CD1 3.85Å; P975-I1060 HydrophobicContact CG-CD1 4.01Å |
| 976 | M | 89.1 | Confident | 90.8 | Very high | 62 Ų | 62 | 62.9 Ų | 62.9 | 31% | 0.305 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -69.5 | -36.5 | 176.2 | -73.3 | -56.5 | -60.4 | 0 | 0 | 113.4 | T974 V979 Q980 N1061 | T974-M976 PolarHBondContact O-N 3.38Å; T974-M976 VanDerWaalsContact O-N 3.11Å; M976-V979 PolarHBondContact O-N 3.3Å; M976-Q980 WeakPolarHBondContact O-CB 3.5Å; M976-Q980 WeakPolarHBondContact O-CG 3.26Å; M976-Q980 PolarHBondContact O-N 3.41Å; M976-N1061 HydrophobicContact CG-CB 3.48Å; M976-N1061 VanDerWaalsContact CG-CB 3.48Å; M976-N1061 HydrophobicContact SD-CB 3.8Å |
| 977 | Q | 91.1 | Very high | 90.2 | Very high | 75 Ų | 75 | 70.4 Ų | 70.4 | 35% | 0.35 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 173.4 | -75 | 163.8 | -60.5 | 0 | 0 | 110.4 | E973 T974 V979 Q980 I981 | E973-Q977 HydrophobicContact CB-CB 4.34Å; E973-Q977 VanDerWaalsContact OE2-CD 3.25Å; E973-Q977 PolarHBondContact OE2-NE2 3.33Å; E973-Q977 PolarHBondContact OE2-OE1 2.87Å; T974-Q977 WeakPolarHBondContact O-CB 3.5Å; T974-Q977 PolarHBondContact O-N 3.43Å; T974-Q977 VanDerWaalsContact OG1-CG 3.32Å; T974-Q977 WeakPolarHBondContact OG1-CG 3.38Å; T974-Q977 PolarHBondContact OG1-N 2.98Å; T974-Q977 PolarHBondContact OG1-OE1 3.13Å; Q977-V979 PolarHBondContact O-N 3.49Å; Q977-Q980 PolarHBondContact O-N 3.24Å; Q977-I981 WeakPolarHBondContact O-CB 3.44Å; Q977-I981 WeakPolarHBondContact O-CD1 3.46Å; Q977-I981 WeakPolarHBondContact O-CG1 3.41Å; Q977-I981 PolarHBondContact O-N 2.91Å |
| 978 | V | 90.7 | Very high | 89.9 | Confident | 1 Ų | 1 | 72.2 Ų | 72.2 | 1% | 0.006 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -58.8 | -48.1 | 175.9 | 174 | 0 | 0 | 0 | 0 | 111.2 | E973 T974 P975 Q980 I981 L982 L988 I1003 V1004 | E973-V978 HydrophobicContact CB-CG2 3.93Å; T974-V978 PolarHBondContact O-N 3.49Å; T974-V978 VanDerWaalsContact O-N 3.08Å; P975-V978 PolarHBondContact O-N 3.07Å; V978-Q980 PolarHBondContact O-N 2.9Å; V978-I981 PolarHBondContact O-N 3.33Å; V978-L982 HydrophobicContact CG1-CD1 3.79Å; V978-L982 HydrophobicContact CG1-CG 4.42Å; V978-L982 WeakPolarHBondContact O-CB 3.48Å; V978-L982 VanDerWaalsContact O-CG 3.32Å; V978-L982 WeakPolarHBondContact O-CG 3.35Å; V978-L982 PolarHBondContact O-N 3.41Å; V978-L988 HydrophobicContact CB-CD2 4.21Å; V978-L988 HydrophobicContact CG1-CD1 4.35Å; V978-L988 HydrophobicContact CG1-CD2 3.86Å; V978-L988 HydrophobicContact CG2-CD2 4.16Å; V978-I1003 HydrophobicContact CB-CG2 3.74Å; V978-I1003 HydrophobicContact CG1-CG2 3.85Å; V978-I1003 HydrophobicContact CG2-CG2 3.77Å; V978-V1004 HydrophobicContact CG1-CG2 4.02Å |
| 979 | V | 88.1 | Confident | 89.5 | Confident | 26 Ų | 26 | 70.8 Ų | 70.8 | 16% | 0.158 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -58.9 | -48.2 | 176 | 172.5 | 0 | 0 | 0 | 0 | 111.3 | P975 M976 Q977 I981 L982 V983 T1007 | P975-V979 VanDerWaalsContact O-CG2 3.32Å; P975-V979 WeakPolarHBondContact O-CG2 3.39Å; P975-V979 PolarHBondContact O-N 3.43Å; M976-V979 PolarHBondContact O-N 3.3Å; Q977-V979 PolarHBondContact O-N 3.49Å; V979-I981 VanDerWaalsContact C-N 3.33Å; V979-I981 PolarHBondContact O-N 3.49Å; V979-L982 PolarHBondContact O-N 2.92Å; V979-V983 HydrophobicContact CG1-CG2 3.99Å; V979-V983 VanDerWaalsContact O-CB 3.29Å; V979-V983 WeakPolarHBondContact O-CB 3.3Å; V979-V983 WeakPolarHBondContact O-CG2 3.31Å; V979-V983 PolarHBondContact O-N 2.99Å; V979-T1007 VanDerWaalsContact CG2-CB 3.41Å; V979-T1007 HydrophobicContact CG2-CG2 4.28Å; V979-T1007 WeakPolarHBondContact CG2-OG1 3.43Å |
| 980 | Q | 88.5 | Confident | 89.3 | Confident | 120 Ų | 120 | 70 Ų | 70 | 56% | 0.561 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -61.3 | -40.8 | -180 | -74.6 | 173.1 | -0.6 | 0 | 0 | 112.2 | M976 Q977 V978 S984 | M976-Q980 WeakPolarHBondContact O-CB 3.5Å; M976-Q980 WeakPolarHBondContact O-CG 3.26Å; M976-Q980 PolarHBondContact O-N 3.41Å; Q977-Q980 PolarHBondContact O-N 3.24Å; V978-Q980 PolarHBondContact O-N 2.9Å; Q980-S984 VanDerWaalsContact O-CB 3.27Å; Q980-S984 WeakPolarHBondContact O-CB 3.41Å; Q980-S984 PolarHBondContact O-N 2.99Å; Q980-S984 PolarHBondContact O-OG 2.94Å |
| 981 | I | 89.8 | Confident | 89.1 | Confident | 34 Ų | 34 | 70.2 Ų | 70.2 | 17% | 0.174 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -65.2 | -49.1 | 178.1 | -68 | 162.6 | 0 | 0 | 0 | 110.2 | Q977 V978 V979 S984 G985 R986 L988 | Q977-I981 WeakPolarHBondContact O-CB 3.44Å; Q977-I981 WeakPolarHBondContact O-CD1 3.46Å; Q977-I981 WeakPolarHBondContact O-CG1 3.41Å; Q977-I981 PolarHBondContact O-N 2.91Å; V978-I981 PolarHBondContact O-N 3.33Å; V979-I981 VanDerWaalsContact C-N 3.33Å; V979-I981 PolarHBondContact O-N 3.49Å; I981-S984 PolarHBondContact O-N 3.29Å; I981-S984 PolarHBondContact O-OG 3.08Å; I981-G985 PolarHBondContact O-N 3.23Å; I981-R986 HydrophobicContact CG2-CB 3.89Å; I981-R986 PolarHBondContact O-N 3.24Å; I981-R986 VanDerWaalsContact O-N 3.08Å; I981-L988 HydrophobicContact CB-CD2 4.04Å; I981-L988 HydrophobicContact CD1-CD2 4.25Å; I981-L988 HydrophobicContact CG2-CD2 3.82Å; I981-L988 HydrophobicContact CG2-CG 4.28Å |
| 982 | L | 88.5 | Confident | 89.1 | Confident | 33 Ų | 33 | 73.4 Ų | 73.4 | 17% | 0.173 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -68 | -41.1 | -178.8 | -67.6 | 172.5 | 0 | 0 | 0 | 112.9 | V978 V979 S984 G985 L988 V1004 Y1008 | V978-L982 HydrophobicContact CG1-CD1 3.79Å; V978-L982 HydrophobicContact CG1-CG 4.42Å; V978-L982 WeakPolarHBondContact O-CB 3.48Å; V978-L982 VanDerWaalsContact O-CG 3.32Å; V978-L982 WeakPolarHBondContact O-CG 3.35Å; V978-L982 PolarHBondContact O-N 3.41Å; V979-L982 PolarHBondContact O-N 2.92Å; L982-S984 VanDerWaalsContact C-N 3.28Å; L982-S984 PolarHBondContact O-N 3.31Å; L982-G985 PolarHBondContact O-N 2.85Å; L982-G985 VanDerWaalsContact O-N 3.08Å; L982-L988 HydrophobicContact CD1-CD1 4.38Å; L982-L988 HydrophobicContact CD2-CD1 3.85Å; L982-L988 HydrophobicContact CD2-CG 3.95Å; L982-L988 HydrophobicContact CG-CD1 4.24Å; L982-L988 HydrophobicContact CG-CD2 4.33Å; L982-L988 HydrophobicContact CG-CG 4.29Å; L982-V1004 HydrophobicContact CD1-CG1 4.35Å; L982-V1004 HydrophobicContact CD1-CG2 4.13Å; L982-Y1008 HydrophobicContact CB-CD2 3.56Å; L982-Y1008 HydrophobicContact CB-CE2 3.49Å; L982-Y1008 VanDerWaalsContact CB-CE2 3.49Å; L982-Y1008 HydrophobicContact CB-CG 4.26Å; L982-Y1008 HydrophobicContact CD1-CD1 4.24Å; L982-Y1008 HydrophobicContact CD1-CD2 3.77Å; L982-Y1008 HydrophobicContact CD1-CE2 4.41Å; L982-Y1008 HydrophobicContact CD1-CG 3.66Å; L982-Y1008 HydrophobicContact CG-CD2 4.32Å |
| 983 | V | 85.2 | Confident | 89.1 | Confident | 107 Ų | 107 | 72 Ų | 72 | 65% | 0.648 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -65.2 | -33.7 | 176.2 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | V979 G985 Y1008 | V979-V983 HydrophobicContact CG1-CG2 3.99Å; V979-V983 VanDerWaalsContact O-CB 3.29Å; V979-V983 WeakPolarHBondContact O-CB 3.3Å; V979-V983 WeakPolarHBondContact O-CG2 3.31Å; V979-V983 PolarHBondContact O-N 2.99Å; V983-G985 PolarHBondContact O-N 2.88Å; V983-Y1008 HydrophobicContact CG2-CE2 4.38Å |
| 984 | S | 86.6 | Confident | 89.2 | Confident | 66 Ų | 66 | 75.2 Ų | 75.2 | 46% | 0.462 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | 0.7 | 174.4 | 68.6 | 0 | 0 | 0 | 0 | 114.3 | Q980 I981 L982 R986 | Q980-S984 VanDerWaalsContact O-CB 3.27Å; Q980-S984 WeakPolarHBondContact O-CB 3.41Å; Q980-S984 PolarHBondContact O-N 2.99Å; Q980-S984 PolarHBondContact O-OG 2.94Å; I981-S984 PolarHBondContact O-N 3.29Å; I981-S984 PolarHBondContact O-OG 3.08Å; L982-S984 VanDerWaalsContact C-N 3.28Å; L982-S984 PolarHBondContact O-N 3.31Å; S984-R986 PolarHBondContact O-N 2.95Å; S984-R986 WeakPolarHBondContact OG-CG 3.31Å |
| 985 | G | 84.1 | Confident | 89.4 | Confident | 71 Ų | 71 | 74.1 Ų | 74.1 | 73% | 0.732 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.2 | 14.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | I981 L982 V983 | I981-G985 PolarHBondContact O-N 3.23Å; L982-G985 PolarHBondContact O-N 2.85Å; L982-G985 VanDerWaalsContact O-N 3.08Å; V983-G985 PolarHBondContact O-N 2.88Å |
| 986 | R | 86.6 | Confident | 89.7 | Confident | 184 Ų | 184 | 73.8 Ų | 73.8 | 69% | 0.694 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -82.9 | 152.2 | 177.1 | -68 | 179.7 | -174.5 | -174.4 | 3.2 | 110.1 | I981 S984 | I981-R986 HydrophobicContact CG2-CB 3.89Å; I981-R986 PolarHBondContact O-N 3.24Å; I981-R986 VanDerWaalsContact O-N 3.08Å; S984-R986 PolarHBondContact O-N 2.95Å; S984-R986 WeakPolarHBondContact OG-CG 3.31Å |
| 987 | Q | 86 | Confident | 90 | Very high | 187 Ų | 187 | 73.9 Ų | 73.9 | 87% | 0.874 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -72.7 | 140.7 | 170.7 | -70.8 | -178 | -11.6 | 0 | 0 | 109.8 | ||
| 988 | L | 88.6 | Confident | 90.2 | Very high | 38 Ų | 38 | 70.3 Ų | 70.3 | 20% | 0.199 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 143 | 174.3 | -73.7 | 165 | 0 | 0 | 0 | 110.5 | V978 I981 L982 Q1000 V1004 | V978-L988 HydrophobicContact CB-CD2 4.21Å; V978-L988 HydrophobicContact CG1-CD1 4.35Å; V978-L988 HydrophobicContact CG1-CD2 3.86Å; V978-L988 HydrophobicContact CG2-CD2 4.16Å; I981-L988 HydrophobicContact CB-CD2 4.04Å; I981-L988 HydrophobicContact CD1-CD2 4.25Å; I981-L988 HydrophobicContact CG2-CD2 3.82Å; I981-L988 HydrophobicContact CG2-CG 4.28Å; L982-L988 HydrophobicContact CD1-CD1 4.38Å; L982-L988 HydrophobicContact CD2-CD1 3.85Å; L982-L988 HydrophobicContact CD2-CG 3.95Å; L982-L988 HydrophobicContact CG-CD1 4.24Å; L982-L988 HydrophobicContact CG-CD2 4.33Å; L982-L988 HydrophobicContact CG-CG 4.29Å; L988-Q1000 HydrophobicContact CD1-CG 4.04Å; L988-V1004 HydrophobicContact CD1-CG2 3.73Å |
| 989 | P | 87.4 | Confident | 90.5 | Very high | 51 Ų | 51 | 70.2 Ų | 70.2 | 33% | 0.331 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 143.1 | 176.2 | 23.6 | -31.5 | 0 | 0 | 0 | 110.1 | E973 P991 Q1000 | E973-P989 HydrophobicContact CG-CG 3.77Å; P989-P991 VanDerWaalsContact O-CD 3.23Å; P989-P991 WeakPolarHBondContact O-CD 3.22Å; P989-Q1000 PolarHBondContact O-NE2 3.3Å; P989-Q1000 VanDerWaalsContact O-NE2 3.1Å |
| 990 | T | 89.9 | Confident | 90.9 | Very high | 136 Ų | 136 | 70.1 Ų | 70.1 | 83% | 0.834 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -66 | 117.5 | 175 | -50.1 | 0 | 0 | 0 | 0 | 108.8 | ||
| 991 | P | 91.6 | Very high | 91.1 | Very high | 25 Ų | 25 | 67.3 Ų | 67.3 | 16% | 0.162 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 149.5 | -178.1 | -22.5 | 35.2 | 0 | 0 | 0 | 112.3 | P989 C993 A996 L997 Q1000 | P989-P991 VanDerWaalsContact O-CD 3.23Å; P989-P991 WeakPolarHBondContact O-CD 3.22Å; P991-C993 VanDerWaalsContact C-N 3.28Å; P991-C993 PolarHBondContact O-N 3.39Å; P991-A996 HydrophobicContact CB-CB 3.67Å; P991-L997 HydrophobicContact CB-CB 4.16Å; P991-L997 HydrophobicContact CG-CB 3.92Å; P991-L997 HydrophobicContact CG-CD1 3.93Å; P991-Q1000 HydrophobicContact CG-CB 4.49Å |
| 992 | S | 93.3 | Very high | 91.4 | Very high | 104 Ų | 104 | 65.8 Ų | 65.8 | 73% | 0.727 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -70.4 | -23.9 | -177.3 | 81.6 | 0 | 0 | 0 | 0 | 113.7 | E972 | E972-S992 WeakPolarHBondContact OE1-CA 3.48Å; E972-S992 WeakPolarHBondContact OE1-CB 3.46Å; E972-S992 PolarHBondContact OE1-N 3.02Å; E972-S992 PolarHBondContact OE1-OG 3.15Å; E972-S992 PolarHBondContact OE2-N 3.08Å |
| 993 | C | 94.1 | Very high | 91.7 | Very high | 62 Ų | 62 | 64.3 Ų | 64.3 | 42% | 0.419 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -146.7 | 168.1 | 179.4 | 70.2 | 0 | 0 | 0 | 0 | 112.7 | P991 S995 A996 L997 | P991-C993 VanDerWaalsContact C-N 3.28Å; P991-C993 PolarHBondContact O-N 3.39Å; C993-S995 VanDerWaalsContact C-N 3.28Å; C993-S995 PolarHBondContact O-N 2.87Å; C993-A996 PolarHBondContact O-N 3.23Å; C993-A996 PolarHBondContact SG-N 3.14Å; C993-L997 PolarHBondContact O-N 3.44Å; C993-L997 VanDerWaalsContact O-N 3.1Å |
| 994 | Q | 93 | Very high | 92.1 | Very high | 118 Ų | 118 | 61.2 Ų | 61.2 | 55% | 0.551 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -62.9 | -32.8 | 178.9 | -71.9 | -172.9 | -17 | 0 | 0 | 113 | A895 A996 L997 A998 | A895-Q994 HydrophobicContact CB-CB 3.95Å; Q994-A996 VanDerWaalsContact C-N 3.35Å; Q994-L997 PolarHBondContact O-N 2.91Å; Q994-A998 WeakPolarHBondContact O-CB 3.28Å; Q994-A998 PolarHBondContact O-N 3.21Å |
| 995 | S | 95.2 | Very high | 92.5 | Very high | 46 Ų | 46 | 58.6 Ų | 58.6 | 32% | 0.322 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.2 | -41.1 | 175.7 | -55.4 | 0 | 0 | 0 | 0 | 111.6 | C993 L997 A998 A999 | C993-S995 VanDerWaalsContact C-N 3.28Å; C993-S995 PolarHBondContact O-N 2.87Å; S995-L997 VanDerWaalsContact C-N 3.34Å; S995-L997 PolarHBondContact O-N 3.28Å; S995-A998 WeakPolarHBondContact O-CB 3.26Å; S995-A998 PolarHBondContact O-N 2.88Å; S995-A999 PolarHBondContact O-N 3.28Å |
| 996 | A | 96.2 | Very high | 93 | Very high | 4 Ų | 4 | 55.3 Ų | 55.3 | 3% | 0.033 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68.7 | -32.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A970 E972 P991 C993 Q994 A999 Q1000 | A970-A996 WeakPolarHBondContact O-CA 3.45Å; E972-A996 VanDerWaalsContact CD-CB 3.43Å; E972-A996 HydrophobicContact CG-CB 3.74Å; E972-A996 WeakPolarHBondContact OE1-CB 3.08Å; P991-A996 HydrophobicContact CB-CB 3.67Å; C993-A996 PolarHBondContact O-N 3.23Å; C993-A996 PolarHBondContact SG-N 3.14Å; Q994-A996 VanDerWaalsContact C-N 3.35Å; A996-A999 PolarHBondContact O-N 2.92Å; A996-Q1000 WeakPolarHBondContact O-CB 3.07Å; A996-Q1000 PolarHBondContact O-N 3.44Å |
| 997 | L | 95.3 | Very high | 93.3 | Very high | 63 Ų | 63 | 47.1 Ų | 47.1 | 33% | 0.33 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.3 | -42.6 | 170.6 | -178.6 | 63.1 | 0 | 0 | 0 | 112.4 | T899 P991 C993 Q994 S995 Q1000 N1001 | T899-L997 HydrophobicContact CG2-CB 4.03Å; T899-L997 HydrophobicContact CG2-CD2 3.87Å; T899-L997 HydrophobicContact CG2-CG 3.84Å; P991-L997 HydrophobicContact CB-CB 4.16Å; P991-L997 HydrophobicContact CG-CB 3.92Å; P991-L997 HydrophobicContact CG-CD1 3.93Å; C993-L997 PolarHBondContact O-N 3.44Å; C993-L997 VanDerWaalsContact O-N 3.1Å; Q994-L997 PolarHBondContact O-N 2.91Å; S995-L997 VanDerWaalsContact C-N 3.34Å; S995-L997 PolarHBondContact O-N 3.28Å; L997-Q1000 PolarHBondContact O-N 2.98Å; L997-N1001 PolarHBondContact O-N 2.82Å |
| 998 | A | 96 | Very high | 93.2 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58 | -47.8 | 173 | 0 | 0 | 0 | 0 | 0 | 111.5 | L898 T899 F966 Q994 S995 N1001 V1002 | L898-A998 HydrophobicContact CB-CB 3.59Å; L898-A998 HydrophobicContact CD1-CB 4.08Å; L898-A998 HydrophobicContact CG-CB 4.45Å; T899-A998 HydrophobicContact CG2-CB 4.01Å; F966-A998 HydrophobicContact CE1-CB 3.68Å; F966-A998 HydrophobicContact CZ-CB 3.81Å; Q994-A998 WeakPolarHBondContact O-CB 3.28Å; Q994-A998 PolarHBondContact O-N 3.21Å; S995-A998 WeakPolarHBondContact O-CB 3.26Å; S995-A998 PolarHBondContact O-N 2.88Å; A998-N1001 PolarHBondContact O-N 3.12Å; A998-V1002 PolarHBondContact O-N 3.44Å |
| 999 | A | 96.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.5 | -44.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | T967 A970 C971 S995 A996 N1001 V1002 I1003 | T967-A999 HydrophobicContact CG2-CB 4.22Å; A970-A999 HydrophobicContact CB-CB 3.97Å; C971-A999 HydrophobicContact CB-CB 4.2Å; S995-A999 PolarHBondContact O-N 3.28Å; A996-A999 PolarHBondContact O-N 2.92Å; A999-N1001 VanDerWaalsContact C-N 3.31Å; A999-N1001 PolarHBondContact O-N 2.9Å; A999-V1002 PolarHBondContact O-N 3.12Å; A999-V1002 VanDerWaalsContact O-N 3.16Å; A999-I1003 VanDerWaalsContact O-CG1 3.31Å; A999-I1003 WeakPolarHBondContact O-CG1 3.32Å; A999-I1003 PolarHBondContact O-N 3.15Å |
| 1000 | Q | 95.5 | Very high | 91.5 | Very high | 24 Ų | 24 | 49.3 Ų | 49.3 | 11% | 0.112 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.1 | -42 | 177.3 | -170.2 | 179.6 | 89.6 | 0 | 0 | 111.6 | L988 P989 P991 A996 L997 V1002 I1003 V1004 | L988-Q1000 HydrophobicContact CD1-CG 4.04Å; P989-Q1000 PolarHBondContact O-NE2 3.3Å; P989-Q1000 VanDerWaalsContact O-NE2 3.1Å; P991-Q1000 HydrophobicContact CG-CB 4.49Å; A996-Q1000 WeakPolarHBondContact O-CB 3.07Å; A996-Q1000 PolarHBondContact O-N 3.44Å; L997-Q1000 PolarHBondContact O-N 2.98Å; Q1000-V1002 PolarHBondContact O-N 3.26Å; Q1000-I1003 PolarHBondContact O-N 3.07Å; Q1000-V1004 WeakPolarHBondContact O-CG2 3.36Å; Q1000-V1004 PolarHBondContact O-N 3.11Å |
| 1001 | N | 94.3 | Very high | 89.7 | Confident | 61 Ų | 61 | 48.2 Ų | 48.2 | 33% | 0.326 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -60.3 | -41.3 | 176.5 | -73 | -18.3 | 0 | 0 | 0 | 112.8 | L898 L905 L997 A998 A999 W1005 | L898-N1001 PolarHBondContact O-ND2 3.23Å; L905-N1001 HydrophobicContact CD2-CB 4.17Å; L997-N1001 PolarHBondContact O-N 2.82Å; A998-N1001 PolarHBondContact O-N 3.12Å; A999-N1001 VanDerWaalsContact C-N 3.31Å; A999-N1001 PolarHBondContact O-N 2.9Å; N1001-W1005 PolarHBondContact O-N 3.12Å |
| 1002 | V | 95.5 | Very high | 87.7 | Confident | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.6 | -42 | 178.6 | -179.9 | 0 | 0 | 0 | 0 | 111.3 | L898 L905 L963 T967 A998 A999 Q1000 V1004 W1005 L1006 | L898-V1002 HydrophobicContact CD1-CG2 4.21Å; L905-V1002 HydrophobicContact CD2-CG2 4.2Å; L963-V1002 HydrophobicContact CD1-CG1 4.46Å; L963-V1002 HydrophobicContact CD1-CG2 3.73Å; L963-V1002 HydrophobicContact CD2-CG1 4.13Å; L963-V1002 HydrophobicContact CG-CG1 4Å; L963-V1002 HydrophobicContact CG-CG2 4.19Å; T967-V1002 HydrophobicContact CG2-CB 4.11Å; T967-V1002 HydrophobicContact CG2-CG1 4.19Å; T967-V1002 WeakPolarHBondContact OG1-CB 3.42Å; T967-V1002 VanDerWaalsContact OG1-CG1 3.31Å; T967-V1002 WeakPolarHBondContact OG1-CG1 3.45Å; A998-V1002 PolarHBondContact O-N 3.44Å; A999-V1002 PolarHBondContact O-N 3.12Å; A999-V1002 VanDerWaalsContact O-N 3.16Å; Q1000-V1002 PolarHBondContact O-N 3.26Å; V1002-V1004 VanDerWaalsContact C-N 3.28Å; V1002-V1004 PolarHBondContact O-N 2.68Å; V1002-W1005 PolarHBondContact O-N 3.36Å; V1002-W1005 VanDerWaalsContact O-N 3.16Å; V1002-L1006 HydrophobicContact CG1-CD1 4.01Å; V1002-L1006 HydrophobicContact CG1-CG 4.34Å; V1002-L1006 WeakPolarHBondContact O-CG 3.35Å; V1002-L1006 PolarHBondContact O-N 3.49Å |
| 1003 | I | 95.1 | Very high | 85.2 | Confident | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.2 | -40.8 | 176.8 | -66 | 170 | 0 | 0 | 0 | 110.9 | T967 C971 P975 V978 A999 Q1000 L1006 T1007 | T967-I1003 HydrophobicContact CG2-CD1 4.06Å; T967-I1003 HydrophobicContact CG2-CG1 3.48Å; T967-I1003 VanDerWaalsContact CG2-CG1 3.48Å; C971-I1003 HydrophobicContact CB-CD1 3.59Å; P975-I1003 HydrophobicContact CB-CG2 3.96Å; P975-I1003 HydrophobicContact CG-CG2 4.26Å; V978-I1003 HydrophobicContact CB-CG2 3.74Å; V978-I1003 HydrophobicContact CG1-CG2 3.85Å; V978-I1003 HydrophobicContact CG2-CG2 3.77Å; A999-I1003 VanDerWaalsContact O-CG1 3.31Å; A999-I1003 WeakPolarHBondContact O-CG1 3.32Å; A999-I1003 PolarHBondContact O-N 3.15Å; Q1000-I1003 PolarHBondContact O-N 3.07Å; I1003-L1006 PolarHBondContact O-N 3.48Å; I1003-T1007 HydrophobicContact CG2-CG2 4.37Å; I1003-T1007 WeakPolarHBondContact O-CB 3.45Å; I1003-T1007 WeakPolarHBondContact O-CG2 3.43Å; I1003-T1007 PolarHBondContact O-N 2.93Å; I1003-T1007 PolarHBondContact O-OG1 2.9Å |
| 1004 | V | 93.6 | Very high | 82.6 | Confident | 42 Ų | 42 | 57.2 Ų | 57.2 | 26% | 0.255 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.2 | -47.9 | 175.2 | 173.4 | 0 | 0 | 0 | 0 | 110.5 | V978 L982 L988 Q1000 V1002 L1006 T1007 Y1008 | V978-V1004 HydrophobicContact CG1-CG2 4.02Å; L982-V1004 HydrophobicContact CD1-CG1 4.35Å; L982-V1004 HydrophobicContact CD1-CG2 4.13Å; L988-V1004 HydrophobicContact CD1-CG2 3.73Å; Q1000-V1004 WeakPolarHBondContact O-CG2 3.36Å; Q1000-V1004 PolarHBondContact O-N 3.11Å; V1002-V1004 VanDerWaalsContact C-N 3.28Å; V1002-V1004 PolarHBondContact O-N 2.68Å; V1004-L1006 PolarHBondContact O-N 3.07Å; V1004-T1007 PolarHBondContact O-N 3.48Å; V1004-Y1008 WeakPolarHBondContact O-CB 3.49Å; V1004-Y1008 PolarHBondContact O-N 3.46Å |
| 1005 | W | 94 | Very high | 80.1 | Confident | 12 Ų | 12 | 55.5 Ų | 55.5 | 5% | 0.045 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 177.3 | 177 | 81.2 | 0 | 0 | 0 | 112.3 | N906 C909 V913 F960 N1001 V1002 T1007 G1025 | N906-W1005 VanDerWaalsContact OD1-CD1 3.25Å; C909-W1005 HydrophobicContact CB-CD2 4.05Å; C909-W1005 VanDerWaalsContact CB-CE2 3.45Å; C909-W1005 HydrophobicContact CB-CE3 4.44Å; C909-W1005 HydrophobicContact CB-CH2 3.88Å; C909-W1005 HydrophobicContact CB-CZ2 3.39Å; C909-W1005 HydrophobicContact CB-CZ3 4.36Å; V913-W1005 HydrophobicContact CG2-CH2 4.12Å; V913-W1005 HydrophobicContact CG2-CZ2 4.25Å; F960-W1005 AromaticContact CE1-CH2 3.84Å; F960-W1005 HydrophobicContact CE1-CH2 3.84Å; F960-W1005 HydrophobicContact CE1-CZ3 4.07Å; F960-W1005 HydrophobicContact CZ-CH2 4.26Å; N1001-W1005 PolarHBondContact O-N 3.12Å; V1002-W1005 PolarHBondContact O-N 3.36Å; V1002-W1005 VanDerWaalsContact O-N 3.16Å; W1005-T1007 PolarHBondContact O-N 3.31Å; W1005-G1025 WeakPolarHBondContact O-CA 3.47Å; W1005-G1025 PolarHBondContact O-N 3Å |
| 1006 | L | 94.9 | Very high | 77.6 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.5 | -39.4 | -178.1 | -78.5 | 171.5 | 0 | 0 | 0 | 112.9 | V1002 I1003 V1004 C1024 G1026 L1056 M1059 W1068 | V1002-L1006 HydrophobicContact CG1-CD1 4.01Å; V1002-L1006 HydrophobicContact CG1-CG 4.34Å; V1002-L1006 WeakPolarHBondContact O-CG 3.35Å; V1002-L1006 PolarHBondContact O-N 3.49Å; I1003-L1006 PolarHBondContact O-N 3.48Å; V1004-L1006 PolarHBondContact O-N 3.07Å; L1006-C1024 WeakPolarHBondContact O-CB 3.21Å; L1006-C1024 PolarHBondContact O-SG 3.42Å; L1006-C1024 VanDerWaalsContact O-SG 3.38Å; L1006-G1026 WeakPolarHBondContact O-CA 3.24Å; L1006-G1026 PolarHBondContact O-N 3.3Å; L1006-L1056 HydrophobicContact CD2-CD2 3.95Å; L1006-M1059 HydrophobicContact CD1-CE 3.24Å; L1006-W1068 WeakPolarHBondContact O-CH2 3.28Å; L1006-W1068 WeakPolarHBondContact O-CZ2 3.45Å |
| 1007 | T | 92.4 | Very high | 75.3 | Confident | 12 Ų | 12 | 64.6 Ų | 64.6 | 7% | 0.074 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -113.6 | -22.6 | -162.9 | 65.1 | 0 | 0 | 0 | 0 | 115.2 | P975 V979 I1003 V1004 W1005 I1060 M1064 | P975-T1007 HydrophobicContact CB-CG2 3.95Å; V979-T1007 VanDerWaalsContact CG2-CB 3.41Å; V979-T1007 HydrophobicContact CG2-CG2 4.28Å; V979-T1007 WeakPolarHBondContact CG2-OG1 3.43Å; I1003-T1007 HydrophobicContact CG2-CG2 4.37Å; I1003-T1007 WeakPolarHBondContact O-CB 3.45Å; I1003-T1007 WeakPolarHBondContact O-CG2 3.43Å; I1003-T1007 PolarHBondContact O-N 2.93Å; I1003-T1007 PolarHBondContact O-OG1 2.9Å; V1004-T1007 PolarHBondContact O-N 3.48Å; W1005-T1007 PolarHBondContact O-N 3.31Å; T1007-I1060 HydrophobicContact CG2-CD1 3.84Å; T1007-M1064 HydrophobicContact CG2-CE 3.4Å |
| 1008 | Y | 84.9 | Confident | 73.1 | Confident | 73 Ų | 73 | 65.8 Ų | 65.8 | 29% | 0.286 | 37% | 0.365 | S | S | . | . | trans | -110.5 | 114.6 | -172.7 | -169.1 | -100.5 | 0 | 0 | 0 | 112 | L982 V983 V1004 | L982-Y1008 HydrophobicContact CB-CD2 3.56Å; L982-Y1008 HydrophobicContact CB-CE2 3.49Å; L982-Y1008 VanDerWaalsContact CB-CE2 3.49Å; L982-Y1008 HydrophobicContact CB-CG 4.26Å; L982-Y1008 HydrophobicContact CD1-CD1 4.24Å; L982-Y1008 HydrophobicContact CD1-CD2 3.77Å; L982-Y1008 HydrophobicContact CD1-CE2 4.41Å; L982-Y1008 HydrophobicContact CD1-CG 3.66Å; L982-Y1008 HydrophobicContact CG-CD2 4.32Å; V983-Y1008 HydrophobicContact CG2-CE2 4.38Å; V1004-Y1008 WeakPolarHBondContact O-CB 3.49Å; V1004-Y1008 PolarHBondContact O-N 3.46Å | ||
| 1009 | S | 76.7 | Confident | 71.2 | Confident | 51 Ų | 51 | 69.1 Ų | 69.1 | 36% | 0.357 | 38% | 0.383 | S | S | . | . | trans | -74 | 123.4 | 165.8 | -76.8 | 0 | 0 | 0 | 0 | 109.5 | N1022 C1023 C1024 | S1009-N1022 WeakPolarHBondContact CB-O 3.3Å; S1009-N1022 PolarHBondContact OG-O 2.91Å; S1009-C1023 VanDerWaalsContact OG-C 3.3Å; S1009-C1024 PolarHBondContact OG-N 3.47Å | ||
| 1010 | R | 63.7 | Low | 69.3 | Low | 198 Ų | 198 | 72.5 Ų | 72.5 | 75% | 0.747 | 40% | 0.4 | S | S | * | . | trans | -60.5 | 134.7 | 165.6 | -101.7 | -177.8 | -175.1 | 173.8 | 3.3 | 108.4 | T1012 | R1010-T1012 VanDerWaalsContact C-N 3.27Å; R1010-T1012 PolarHBondContact O-N 3.22Å | ||
| 1011 | P | 52.9 | Low | 67.6 | Low | 112 Ų | 112 | 77 Ų | 77 | 73% | 0.727 | 43% | 0.425 | S | S | * | . | trans | -66.1 | 91.9 | 169.8 | 24.6 | -29.9 | 0 | 0 | 0 | 108.8 | ||||
| 1012 | T | 48.6 | Very low | 66.4 | Low | 78 Ų | 78 | 76.2 Ų | 76.2 | 48% | 0.479 | 42% | 0.421 | S | S | . | . | trans | -78.9 | 149.1 | 165.1 | 43.6 | 0 | 0 | 0 | 0 | 108.5 | R1010 N1022 | R1010-T1012 VanDerWaalsContact C-N 3.27Å; R1010-T1012 PolarHBondContact O-N 3.22Å; T1012-N1022 VanDerWaalsContact OG1-CG 3.28Å; T1012-N1022 PolarHBondContact OG1-OD1 3.05Å | ||
| 1013 | Q | 40.8 | Very low | 65.8 | Low | 162 Ų | 162 | 78.2 Ų | 78.2 | 76% | 0.757 | 43% | 0.434 | S | S | * | . | trans | -48.9 | 150.2 | 175.8 | -76.7 | -177.8 | -17 | 0 | 0 | 110.9 | T1015 | Q1013-T1015 VanDerWaalsContact C-N 3.27Å; Q1013-T1015 PolarHBondContact O-N 3.43Å; Q1013-T1015 PolarHBondContact O-OG1 3.48Å | ||
| 1014 | P | 38.9 | Very low | 65.6 | Low | 140 Ų | 140 | 78.7 Ų | 78.7 | 91% | 0.909 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -66.1 | 87.6 | -177.7 | 28.3 | -33.8 | 0 | 0 | 0 | 109.9 | ||
| 1015 | T | 41.6 | Very low | 65.6 | Low | 83 Ų | 83 | 76.8 Ų | 76.8 | 51% | 0.509 | 43% | 0.426 | S | S | . | . | trans | -126.9 | 114.7 | 170.3 | 53.5 | 0 | 0 | 0 | 0 | 107.3 | Q1013 N1022 | Q1013-T1015 VanDerWaalsContact C-N 3.27Å; Q1013-T1015 PolarHBondContact O-N 3.43Å; Q1013-T1015 PolarHBondContact O-OG1 3.48Å; T1015-N1022 PolarHBondContact O-ND2 3.28Å; T1015-N1022 VanDerWaalsContact O-ND2 3.1Å | ||
| 1016 | D | 42.3 | Very low | 65.7 | Low | 101 Ų | 101 | 76.2 Ų | 76.2 | 54% | 0.54 | 42% | 0.424 | S | S | . | . | trans | 44.9 | 103.2 | 172.1 | -144.8 | -26.7 | 0 | 0 | 0 | 116.3 | S1018 N1019 | D1016-S1018 PolarHBondContact O-N 3.44Å; D1016-S1018 WeakPolarHBondContact OD1-CB 3.4Å; D1016-S1018 PolarHBondContact OD1-N 2.98Å; D1016-S1018 PolarHBondContact OD1-OG 3.17Å; D1016-S1018 PolarHBondContact OD2-OG 2.95Å; D1016-N1019 HydrophobicContact CB-CB 4.48Å; D1016-N1019 WeakPolarHBondContact O-CB 3.48Å; D1016-N1019 PolarHBondContact O-N 3.27Å | ||
| 1017 | P | 47.1 | Very low | 65.7 | Low | 139 Ų | 139 | 76.5 Ų | 76.5 | 90% | 0.903 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -12.4 | 174.9 | 24.4 | -31.5 | 0 | 0 | 0 | 113.4 | N1019 | P1017-N1019 VanDerWaalsContact C-N 3.31Š|
| 1018 | S | 50.4 | Low | 65.8 | Low | 88 Ų | 88 | 77.5 Ų | 77.5 | 62% | 0.615 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -10.4 | 172.6 | 67.7 | 0 | 0 | 0 | 0 | 114.1 | D1016 M1020 | D1016-S1018 PolarHBondContact O-N 3.44Å; D1016-S1018 WeakPolarHBondContact OD1-CB 3.4Å; D1016-S1018 PolarHBondContact OD1-N 2.98Å; D1016-S1018 PolarHBondContact OD1-OG 3.17Å; D1016-S1018 PolarHBondContact OD2-OG 2.95Å; S1018-M1020 PolarHBondContact O-N 3.06Å; S1018-M1020 VanDerWaalsContact O-N 3.15Å |
| 1019 | N | 55.3 | Low | 66.3 | Low | 70 Ų | 70 | 74 Ų | 74 | 37% | 0.374 | 41% | 0.414 | S | S | . | . | trans | -81.2 | 100.1 | -176.7 | -161 | -9.8 | 0 | 0 | 0 | 111.2 | D1016 P1017 N1021 N1022 | D1016-N1019 HydrophobicContact CB-CB 4.48Å; D1016-N1019 WeakPolarHBondContact O-CB 3.48Å; D1016-N1019 PolarHBondContact O-N 3.27Å; P1017-N1019 VanDerWaalsContact C-N 3.31Å; N1019-N1021 PolarHBondContact O-N 2.9Å; N1019-N1021 PolarHBondContact OD1-N 3.48Å; N1019-N1022 PolarHBondContact O-N 3.35Å | ||
| 1020 | M | 58 | Low | 67.2 | Low | 71 Ų | 71 | 71.6 Ų | 71.6 | 35% | 0.35 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -51.6 | -23.5 | 178.3 | -80.8 | -69.5 | 151.4 | 0 | 0 | 114 | S1018 N1022 C1023 R1028 N1075 | S1018-M1020 PolarHBondContact O-N 3.06Å; S1018-M1020 VanDerWaalsContact O-N 3.15Å; M1020-N1022 PolarHBondContact O-N 3.08Å; M1020-N1022 VanDerWaalsContact O-N 3.15Å; M1020-C1023 WeakPolarHBondContact O-CB 3.31Å; M1020-C1023 PolarHBondContact O-N 3.43Å; M1020-R1028 VanDerWaalsContact O-CD 3.24Å; M1020-R1028 WeakPolarHBondContact O-CD 3.22Å; M1020-R1028 WeakPolarHBondContact O-CG 3.47Å; M1020-N1075 WeakPolarHBondContact CE-ND2 3.47Å |
| 1021 | N | 59.7 | Low | 68.7 | Low | 120 Ų | 120 | 62.8 Ų | 62.8 | 64% | 0.642 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -63.9 | -14.9 | 177 | -71.9 | -12.4 | 0 | 0 | 0 | 114.3 | N1019 | N1019-N1021 PolarHBondContact O-N 2.9Å; N1019-N1021 PolarHBondContact OD1-N 3.48Å |
| 1022 | N | 68.2 | Low | 70.6 | Confident | 44 Ų | 44 | 57.8 Ų | 57.8 | 24% | 0.235 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -85.9 | -8.2 | 175.6 | -65.5 | -25.8 | 0 | 0 | 0 | 113.1 | S1009 T1012 T1015 N1019 M1020 | S1009-N1022 WeakPolarHBondContact CB-O 3.3Å; S1009-N1022 PolarHBondContact OG-O 2.91Å; T1012-N1022 VanDerWaalsContact OG1-CG 3.28Å; T1012-N1022 PolarHBondContact OG1-OD1 3.05Å; T1015-N1022 PolarHBondContact O-ND2 3.28Å; T1015-N1022 VanDerWaalsContact O-ND2 3.1Å; N1019-N1022 PolarHBondContact O-N 3.35Å; M1020-N1022 PolarHBondContact O-N 3.08Å; M1020-N1022 VanDerWaalsContact O-N 3.15Å |
| 1023 | C | 83 | Confident | 72.8 | Confident | 43 Ų | 43 | 54 Ų | 54 | 29% | 0.291 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -82.7 | 149.8 | 178.5 | -63.4 | 0 | 0 | 0 | 0 | 111.6 | S1009 M1020 Q1027 R1028 | S1009-C1023 VanDerWaalsContact OG-C 3.3Å; M1020-C1023 WeakPolarHBondContact O-CB 3.31Å; M1020-C1023 PolarHBondContact O-N 3.43Å; C1023-Q1027 HydrophobicContact CB-CB 3.98Å; C1023-Q1027 HydrophobicContact CB-CG 3.84Å; C1023-R1028 HydrophobicContact CB-CG 4.01Å; C1023-R1028 PolarHBondContact O-NE 3.15Å |
| 1024 | C | 91.6 | Very high | 75.3 | Confident | 12 Ų | 12 | 46.3 Ų | 46.3 | 8% | 0.081 | 28% | 0.275 | C | S | . | . | trans | -57.1 | 155.7 | 171.2 | 63.1 | 0 | 0 | 0 | 0 | 110.8 | L1006 S1009 G1026 Q1027 R1028 W1068 | L1006-C1024 WeakPolarHBondContact O-CB 3.21Å; L1006-C1024 PolarHBondContact O-SG 3.42Å; L1006-C1024 VanDerWaalsContact O-SG 3.38Å; S1009-C1024 PolarHBondContact OG-N 3.47Å; C1024-G1026 PolarHBondContact O-N 2.89Å; C1024-Q1027 PolarHBondContact O-N 3.33Å; C1024-R1028 PolarHBondContact O-N 3.32Å; C1024-W1068 VanDerWaalsContact SG-CZ2 3.59Å | ||
| 1025 | G | 93.3 | Very high | 77.7 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -55.3 | -37 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | W1005 R1028 L1029 | W1005-G1025 WeakPolarHBondContact O-CA 3.47Å; W1005-G1025 PolarHBondContact O-N 3Å; G1025-R1028 PolarHBondContact O-N 3.35Å; G1025-L1029 WeakPolarHBondContact O-CB 3.44Å; G1025-L1029 PolarHBondContact O-N 2.92Å |
| 1026 | G | 95.1 | Very high | 79.9 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64 | -44.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1006 C1024 R1028 L1029 V1030 | L1006-G1026 WeakPolarHBondContact O-CA 3.24Å; L1006-G1026 PolarHBondContact O-N 3.3Å; C1024-G1026 PolarHBondContact O-N 2.89Å; G1026-R1028 VanDerWaalsContact C-N 3.35Å; G1026-R1028 PolarHBondContact O-N 2.85Å; G1026-L1029 PolarHBondContact O-N 3.35Å; G1026-V1030 WeakPolarHBondContact O-CG2 3.42Å; G1026-V1030 PolarHBondContact O-N 3.24Å |
| 1027 | Q | 94.9 | Very high | 82.1 | Confident | 9 Ų | 9 | 35.8 Ų | 35.8 | 4% | 0.042 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.3 | -42.3 | 174.4 | 175.6 | 68.9 | 70.5 | 0 | 0 | 111.5 | C1023 C1024 S1031 W1068 N1071 | C1023-Q1027 HydrophobicContact CB-CB 3.98Å; C1023-Q1027 HydrophobicContact CB-CG 3.84Å; C1024-Q1027 PolarHBondContact O-N 3.33Å; Q1027-S1031 PolarHBondContact NE2-OG 3Å; Q1027-S1031 VanDerWaalsContact NE2-OG 3.07Å; Q1027-S1031 WeakPolarHBondContact O-CB 3.35Å; Q1027-S1031 PolarHBondContact O-N 3.29Å; Q1027-S1031 PolarHBondContact O-OG 2.95Å; Q1027-W1068 HydrophobicContact CB-CG 4.22Å; Q1027-W1068 PolarHBondContact NE2-O 3.36Å; Q1027-W1068 VanDerWaalsContact OE1-CA 3.28Å; Q1027-W1068 VanDerWaalsContact OE1-CD1 3.23Å; Q1027-N1071 PolarHBondContact OE1-ND2 3.04Å |
| 1028 | R | 94.4 | Very high | 84 | Confident | 33 Ų | 33 | 29.2 Ų | 29.2 | 13% | 0.125 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.6 | -42.4 | 179 | -68.1 | -173 | -69.4 | 119 | -8.7 | 111.3 | D910 M1020 C1023 C1024 G1025 G1026 S1031 A1032 | D910-R1028 IonicContact OD1-CZ 3.7Å; D910-R1028 IonicContact OD1-NH1 2.77Å; D910-R1028 PolarHBondContact OD1-NH1 3.42Å; D910-R1028 IonicContact OD1-NH2 2.66Å; D910-R1028 PolarHBondContact OD1-NH2 2.63Å; D910-R1028 IonicContact OD2-NH1 3.03Å; M1020-R1028 VanDerWaalsContact O-CD 3.24Å; M1020-R1028 WeakPolarHBondContact O-CD 3.22Å; M1020-R1028 WeakPolarHBondContact O-CG 3.47Å; C1023-R1028 HydrophobicContact CB-CG 4.01Å; C1023-R1028 PolarHBondContact O-NE 3.15Å; C1024-R1028 PolarHBondContact O-N 3.32Å; G1025-R1028 PolarHBondContact O-N 3.35Å; G1026-R1028 VanDerWaalsContact C-N 3.35Å; G1026-R1028 PolarHBondContact O-N 2.85Å; R1028-S1031 PolarHBondContact O-N 3.45Å; R1028-A1032 WeakPolarHBondContact O-CB 3.26Å; R1028-A1032 PolarHBondContact O-N 3.13Å |
| 1029 | L | 96 | Very high | 85.3 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.5 | -53.4 | 175.8 | 179.3 | 53.5 | 0 | 0 | 0 | 111.5 | V913 L916 F960 G1025 G1026 S1031 A1032 L1033 I1052 L1056 | V913-L1029 HydrophobicContact CG2-CB 4.32Å; V913-L1029 HydrophobicContact CG2-CD1 4.33Å; L916-L1029 HydrophobicContact CD1-CD1 3.37Å; F960-L1029 HydrophobicContact CD1-CD2 4.03Å; F960-L1029 HydrophobicContact CD2-CD1 3.98Å; F960-L1029 HydrophobicContact CE1-CD2 4.26Å; F960-L1029 HydrophobicContact CE2-CD1 3.92Å; F960-L1029 HydrophobicContact CG-CD1 4.4Å; F960-L1029 HydrophobicContact CG-CD2 4.22Å; F960-L1029 HydrophobicContact CZ-CD1 4.31Å; G1025-L1029 WeakPolarHBondContact O-CB 3.44Å; G1025-L1029 PolarHBondContact O-N 2.92Å; G1026-L1029 PolarHBondContact O-N 3.35Å; L1029-S1031 VanDerWaalsContact C-N 3.27Å; L1029-S1031 PolarHBondContact O-N 2.89Å; L1029-A1032 PolarHBondContact O-N 3.34Å; L1029-L1033 HydrophobicContact CD1-CD1 4.14Å; L1029-L1033 HydrophobicContact CD1-CD2 4.47Å; L1029-L1033 HydrophobicContact CD1-CG 4.15Å; L1029-L1033 HydrophobicContact CG-CD1 4.15Å; L1029-L1033 VanDerWaalsContact O-CG 3.25Å; L1029-L1033 WeakPolarHBondContact O-CG 3.27Å; L1029-L1033 PolarHBondContact O-N 2.89Å; L1029-I1052 HydrophobicContact CD1-CG2 4.36Å; L1029-I1052 HydrophobicContact CD2-CG2 3.89Å; L1029-I1052 HydrophobicContact CG-CG2 4.18Å; L1029-L1056 HydrophobicContact CD2-CD1 3.9Å; L1029-L1056 HydrophobicContact CG-CD1 4.21Å |
| 1030 | V | 96.3 | Very high | 85.9 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.4 | -38.3 | 179 | 175.3 | 0 | 0 | 0 | 0 | 112 | G1026 L1033 L1034 L1053 L1056 F1065 W1068 L1069 A1072 | G1026-V1030 WeakPolarHBondContact O-CG2 3.42Å; G1026-V1030 PolarHBondContact O-N 3.24Å; V1030-L1033 PolarHBondContact O-N 3.49Å; V1030-L1034 PolarHBondContact O-N 3.13Å; V1030-L1034 VanDerWaalsContact O-N 3.15Å; V1030-L1053 HydrophobicContact CG1-CD2 4.2Å; V1030-L1053 HydrophobicContact CG2-CD2 4.17Å; V1030-L1056 HydrophobicContact CG2-CD1 3.95Å; V1030-F1065 HydrophobicContact CG2-CE2 4.08Å; V1030-W1068 HydrophobicContact CB-CB 4.27Å; V1030-W1068 HydrophobicContact CG1-CB 4.33Å; V1030-W1068 HydrophobicContact CG2-CB 4.24Å; V1030-W1068 HydrophobicContact CG2-CE3 4.09Å; V1030-L1069 HydrophobicContact CG1-CD1 4.34Å; V1030-A1072 HydrophobicContact CG1-CB 3.97Å |
| 1031 | S | 94.4 | Very high | 86.3 | Confident | 13 Ų | 13 | 24.6 Ų | 24.6 | 9% | 0.091 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -67.3 | -43.9 | 177.5 | -50.4 | 0 | 0 | 0 | 0 | 112 | Q1027 R1028 L1029 L1033 L1034 Q1035 | Q1027-S1031 PolarHBondContact NE2-OG 3Å; Q1027-S1031 VanDerWaalsContact NE2-OG 3.07Å; Q1027-S1031 WeakPolarHBondContact O-CB 3.35Å; Q1027-S1031 PolarHBondContact O-N 3.29Å; Q1027-S1031 PolarHBondContact O-OG 2.95Å; R1028-S1031 PolarHBondContact O-N 3.45Å; L1029-S1031 VanDerWaalsContact C-N 3.27Å; L1029-S1031 PolarHBondContact O-N 2.89Å; S1031-L1033 VanDerWaalsContact C-N 3.34Å; S1031-L1033 PolarHBondContact O-N 3Å; S1031-L1034 PolarHBondContact O-N 3.49Å; S1031-Q1035 VanDerWaalsContact O-CB 3.31Å; S1031-Q1035 WeakPolarHBondContact O-CB 3.49Å; S1031-Q1035 PolarHBondContact O-N 3.03Å |
| 1032 | A | 92.8 | Very high | 86.7 | Confident | 6 Ų | 6 | 24.9 Ų | 24.9 | 5% | 0.05 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.9 | -40.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V913 N917 R1028 L1029 Q1035 A1036 | V913-A1032 HydrophobicContact CG1-CB 3.63Å; N917-A1032 PolarHBondContact OD1-O 3.15Å; R1028-A1032 WeakPolarHBondContact O-CB 3.26Å; R1028-A1032 PolarHBondContact O-N 3.13Å; L1029-A1032 PolarHBondContact O-N 3.34Å; A1032-Q1035 PolarHBondContact O-N 3.5Å; A1032-A1036 WeakPolarHBondContact O-CB 3.06Å; A1032-A1036 PolarHBondContact O-N 3.43Å |
| 1033 | L | 94.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.3 | -50 | 176.9 | -67 | 169.7 | 0 | 0 | 0 | 111.8 | L916 L1029 V1030 S1031 A1036 C1037 M1049 I1052 L1053 | L916-L1033 HydrophobicContact CD1-CD2 3.88Å; L916-L1033 HydrophobicContact CD1-CG 4.42Å; L1029-L1033 HydrophobicContact CD1-CD1 4.14Å; L1029-L1033 HydrophobicContact CD1-CD2 4.47Å; L1029-L1033 HydrophobicContact CD1-CG 4.15Å; L1029-L1033 HydrophobicContact CG-CD1 4.15Å; L1029-L1033 VanDerWaalsContact O-CG 3.25Å; L1029-L1033 WeakPolarHBondContact O-CG 3.27Å; L1029-L1033 PolarHBondContact O-N 2.89Å; V1030-L1033 PolarHBondContact O-N 3.49Å; S1031-L1033 VanDerWaalsContact C-N 3.34Å; S1031-L1033 PolarHBondContact O-N 3Å; L1033-A1036 PolarHBondContact O-N 3.43Å; L1033-C1037 PolarHBondContact O-N 2.96Å; L1033-C1037 PolarHBondContact O-SG 3.08Å; L1033-C1037 VanDerWaalsContact O-SG 3.37Å; L1033-M1049 HydrophobicContact CD2-CB 3.97Å; L1033-M1049 HydrophobicContact CD2-CG 3.97Å; L1033-M1049 HydrophobicContact CD2-SD 3.22Å; L1033-M1049 WeakPolarHBondContact CD2-SD 3.46Å; L1033-I1052 HydrophobicContact CD1-CB 4.03Å; L1033-I1052 HydrophobicContact CD1-CG2 3.67Å; L1033-I1052 HydrophobicContact CD2-CD1 3.96Å; L1033-L1053 HydrophobicContact CD1-CD2 3.73Å; L1033-L1053 HydrophobicContact CD1-CG 4Å |
| 1034 | L | 93.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.2 | -39.1 | 179.2 | -69.6 | -165.6 | 0 | 0 | 0 | 112.7 | V1030 S1031 A1036 C1037 C1038 L1069 A1072 V1073 F1095 L1112 | V1030-L1034 PolarHBondContact O-N 3.13Å; V1030-L1034 VanDerWaalsContact O-N 3.15Å; S1031-L1034 PolarHBondContact O-N 3.49Å; L1034-A1036 VanDerWaalsContact C-N 3.34Å; L1034-C1037 PolarHBondContact O-N 2.67Å; L1034-C1038 WeakPolarHBondContact O-CB 3.38Å; L1034-C1038 PolarHBondContact O-N 3.45Å; L1034-C1038 PolarHBondContact O-SG 3.25Å; L1034-L1069 HydrophobicContact CD1-CD1 3.99Å; L1034-A1072 HydrophobicContact CB-CB 4.49Å; L1034-A1072 HydrophobicContact CD1-CB 3.63Å; L1034-A1072 HydrophobicContact CG-CB 4.22Å; L1034-V1073 HydrophobicContact CD1-CG2 3.66Å; L1034-F1095 HydrophobicContact CD1-CE1 4.3Å; L1034-F1095 HydrophobicContact CD2-CE1 4.13Å; L1034-F1095 HydrophobicContact CD2-CZ 3.77Å; L1034-L1112 HydrophobicContact CD2-CD2 3.8Å |
| 1035 | Q | 90.2 | Very high | 86.4 | Confident | 102 Ų | 102 | 32.7 Ų | 32.7 | 48% | 0.477 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -62.2 | -44.3 | 175.7 | -174.1 | 175.2 | -0 | 0 | 0 | 110.9 | S1031 A1032 L1039 | S1031-Q1035 VanDerWaalsContact O-CB 3.31Å; S1031-Q1035 WeakPolarHBondContact O-CB 3.49Å; S1031-Q1035 PolarHBondContact O-N 3.03Å; A1032-Q1035 PolarHBondContact O-N 3.5Å; Q1035-L1039 HydrophobicContact CG-CD1 4.27Å; Q1035-L1039 WeakPolarHBondContact O-CB 3.34Å; Q1035-L1039 PolarHBondContact O-N 2.84Å |
| 1036 | A | 88.1 | Confident | 86.2 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | I | π-helix | trans | -59.1 | -50.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | N917 A1032 L1033 L1034 C1038 G1040 L1041 R1120 | N917-A1036 WeakPolarHBondContact OD1-CB 3.24Å; A1032-A1036 WeakPolarHBondContact O-CB 3.06Å; A1032-A1036 PolarHBondContact O-N 3.43Å; L1033-A1036 PolarHBondContact O-N 3.43Å; L1034-A1036 VanDerWaalsContact C-N 3.34Å; A1036-C1038 PolarHBondContact O-N 3.14Å; A1036-G1040 CarbonylContact O-C 3.52Å; A1036-G1040 PolarHBondContact O-N 3.44Å; A1036-L1041 HydrophobicContact CB-CD1 3.62Å; A1036-L1041 HydrophobicContact CB-CG 3.91Å; A1036-L1041 PolarHBondContact O-N 2.6Å; A1036-R1120 PolarHBondContact O-NH2 3.42Å |
| 1037 | C | 88.7 | Confident | 86.1 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.007 | 19% | 0.185 | C | C | . | . | I | π-helix | trans | -64 | -39.3 | -179.9 | -70.5 | 0 | 0 | 0 | 0 | 114.1 | L1033 L1034 F1046 L1112 S1116 R1120 | L1033-C1037 PolarHBondContact O-N 2.96Å; L1033-C1037 PolarHBondContact O-SG 3.08Å; L1033-C1037 VanDerWaalsContact O-SG 3.37Å; L1034-C1037 PolarHBondContact O-N 2.67Å; C1037-F1046 HydrophobicContact CB-CD1 4.29Å; C1037-F1046 HydrophobicContact CB-CE1 3.76Å; C1037-F1046 HydrophobicContact CB-CZ 4.08Å; C1037-F1046 VanDerWaalsContact SG-CD1 3.58Å; C1037-L1112 HydrophobicContact CB-CD2 4.31Å; C1037-S1116 WeakPolarHBondContact O-CB 3.27Å; C1037-R1120 PolarHBondContact O-NH2 2.97Å |
| 1038 | C | 86.2 | Confident | 85.9 | Confident | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.007 | 19% | 0.191 | C | C | . | . | I | π-helix | trans | -87.2 | -30.9 | -175 | -60.1 | 0 | 0 | 0 | 0 | 113.1 | L1034 A1036 L1076 F1119 R1120 | L1034-C1038 WeakPolarHBondContact O-CB 3.38Å; L1034-C1038 PolarHBondContact O-N 3.45Å; L1034-C1038 PolarHBondContact O-SG 3.25Å; A1036-C1038 PolarHBondContact O-N 3.14Å; C1038-L1076 HydrophobicContact CB-CD1 4.22Å; C1038-L1076 HydrophobicContact CB-CD2 4.15Å; C1038-F1119 HydrophobicContact CB-CD2 4.05Å; C1038-F1119 HydrophobicContact CB-CG 4.28Å; C1038-R1120 PolarHBondContact O-NE 3.49Å |
| 1039 | L | 77.9 | Confident | 85.8 | Confident | 94 Ų | 94 | 35.2 Ų | 35.2 | 49% | 0.492 | 19% | 0.185 | S | C | . | . | I | π-helix | trans | -125.3 | -20 | -167.7 | -56.2 | 179.4 | 0 | 0 | 0 | 115.1 | Q1035 L1076 | Q1035-L1039 HydrophobicContact CG-CD1 4.27Å; Q1035-L1039 WeakPolarHBondContact O-CB 3.34Å; Q1035-L1039 PolarHBondContact O-N 2.84Å; L1039-L1076 HydrophobicContact CD1-CD2 4.22Å; L1039-L1076 HydrophobicContact CG-CD2 4.45Å |
| 1040 | G | 66.8 | Low | 85.8 | Confident | 31 Ų | 31 | 35.2 Ų | 35.2 | 32% | 0.32 | 19% | 0.185 | S | C | . | . | I | π-helix | trans | -118.6 | -53.8 | -169.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | C919 A1036 | C919-G1040 PolarHBondContact SG-O 2.9Å; A1036-G1040 CarbonylContact O-C 3.52Å; A1036-G1040 PolarHBondContact O-N 3.44Å |
| 1041 | L | 66.8 | Low | 85.8 | Confident | 7 Ų | 7 | 37.8 Ų | 37.8 | 4% | 0.037 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -95.4 | 150.4 | -166 | -66.3 | 178.9 | 0 | 0 | 0 | 113.5 | L916 A1036 R1045 M1049 R1120 | L916-L1041 WeakPolarHBondContact O-CD1 3.31Å; A1036-L1041 HydrophobicContact CB-CD1 3.62Å; A1036-L1041 HydrophobicContact CB-CG 3.91Å; A1036-L1041 PolarHBondContact O-N 2.6Å; L1041-R1045 HydrophobicContact CD1-CB 4.08Å; L1041-M1049 HydrophobicContact CD1-CE 3.36Å; L1041-R1120 PolarHBondContact O-NH1 3.42Å; L1041-R1120 PolarHBondContact O-NH2 3.39Å |
| 1042 | M | 69 | Low | 85.9 | Confident | 125 Ų | 125 | 37.2 Ų | 37.2 | 62% | 0.616 | 20% | 0.195 | S | C | * | . | trans | -66.2 | 152.4 | 166.3 | -58 | -65 | -73.8 | 0 | 0 | 110.9 | E1044 R1045 | M1042-E1044 PolarHBondContact O-N 2.89Å; M1042-R1045 PolarHBondContact O-N 3.29Å | ||
| 1043 | D | 75.8 | Confident | 86.1 | Confident | 74 Ų | 74 | 36.9 Ų | 36.9 | 40% | 0.396 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -61.9 | -20.6 | -174.1 | -53 | -24.4 | 0 | 0 | 0 | 113.2 | R1045 F1046 R1120 | D1043-R1045 PolarHBondContact O-N 2.91Å; D1043-R1045 VanDerWaalsContact O-N 3.08Å; D1043-F1046 HydrophobicContact CB-CD2 4.2Å; D1043-F1046 HydrophobicContact CB-CE2 3.96Å; D1043-F1046 HydrophobicContact CB-CZ 4.22Å; D1043-F1046 WeakPolarHBondContact O-CB 3.32Å; D1043-F1046 WeakPolarHBondContact O-CG 3.37Å; D1043-F1046 PolarHBondContact O-N 2.89Å; D1043-F1046 WeakPolarHBondContact OD1-CE2 3.44Å; D1043-F1046 WeakPolarHBondContact OD1-CZ 3.33Å; D1043-R1120 IonicContact OD1-NH1 3.16Å |
| 1044 | E | 78.8 | Confident | 86.2 | Confident | 138 Ų | 138 | 40 Ų | 40 | 65% | 0.645 | 21% | 0.205 | S | C | * | . | G | 310 helix | trans | -56.6 | -22.1 | 175.6 | -64.2 | 179.2 | -177 | 0 | 0 | 114.9 | M1042 | M1042-E1044 PolarHBondContact O-N 2.89Š|
| 1045 | R | 81.7 | Confident | 86.3 | Confident | 52 Ų | 52 | 42.4 Ų | 42.4 | 20% | 0.196 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -94.5 | -1.9 | -179.3 | -59.8 | -61.2 | 178.7 | -82 | -2.9 | 113.2 | S951 L1041 M1042 D1043 P1047 E1048 M1049 | S951-R1045 PolarHBondContact OG-NE 3.11Å; S951-R1045 PolarHBondContact OG-NH2 2.95Å; L1041-R1045 HydrophobicContact CD1-CB 4.08Å; M1042-R1045 PolarHBondContact O-N 3.29Å; D1043-R1045 PolarHBondContact O-N 2.91Å; D1043-R1045 VanDerWaalsContact O-N 3.08Å; R1045-P1047 VanDerWaalsContact C-CD 3.41Å; R1045-E1048 PolarHBondContact O-N 2.9Å; R1045-M1049 WeakPolarHBondContact O-CG 3.47Å; R1045-M1049 PolarHBondContact O-N 3Å |
| 1046 | F | 90.1 | Very high | 86.6 | Confident | 2 Ų | 2 | 37.5 Ų | 37.5 | 1% | 0.009 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.3 | -31.9 | -178.1 | -67.5 | 4.1 | 0 | 0 | 0 | 113.8 | C1037 D1043 M1049 A1050 V1109 L1112 D1113 | C1037-F1046 HydrophobicContact CB-CD1 4.29Å; C1037-F1046 HydrophobicContact CB-CE1 3.76Å; C1037-F1046 HydrophobicContact CB-CZ 4.08Å; C1037-F1046 VanDerWaalsContact SG-CD1 3.58Å; D1043-F1046 HydrophobicContact CB-CD2 4.2Å; D1043-F1046 HydrophobicContact CB-CE2 3.96Å; D1043-F1046 HydrophobicContact CB-CZ 4.22Å; D1043-F1046 WeakPolarHBondContact O-CB 3.32Å; D1043-F1046 WeakPolarHBondContact O-CG 3.37Å; D1043-F1046 PolarHBondContact O-N 2.89Å; D1043-F1046 WeakPolarHBondContact OD1-CE2 3.44Å; D1043-F1046 WeakPolarHBondContact OD1-CZ 3.33Å; F1046-M1049 PolarHBondContact O-N 3.47Å; F1046-A1050 WeakPolarHBondContact O-CB 3.41Å; F1046-A1050 PolarHBondContact O-N 2.86Å; F1046-V1109 HydrophobicContact CB-CG1 4.13Å; F1046-L1112 HydrophobicContact CD2-CB 3.94Å; F1046-L1112 HydrophobicContact CE2-CB 4.39Å; F1046-L1112 HydrophobicContact CG-CB 4.3Å; F1046-D1113 HydrophobicContact CD2-CB 4.21Å; F1046-D1113 HydrophobicContact CE2-CB 4.32Å |
| 1047 | P | 92.5 | Very high | 86.9 | Confident | 59 Ų | 59 | 38.6 Ų | 38.6 | 38% | 0.383 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -54 | -52.1 | 173.2 | -28.6 | 37.7 | 0 | 0 | 0 | 113.6 | R1045 M1049 A1050 D1051 V1109 | R1045-P1047 VanDerWaalsContact C-CD 3.41Å; P1047-M1049 PolarHBondContact O-N 2.66Å; P1047-A1050 PolarHBondContact O-N 3.1Å; P1047-D1051 PolarHBondContact O-N 3.22Å; P1047-V1109 HydrophobicContact CB-CG2 4.47Å |
| 1048 | E | 91.2 | Very high | 87.2 | Confident | 33 Ų | 33 | 42.5 Ų | 42.5 | 15% | 0.154 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.2 | -35.4 | 180 | -64.9 | 93.5 | 154.7 | 0 | 0 | 112.6 | A957 R958 R1045 D1051 I1052 | A957-E1048 HydrophobicContact CB-CB 3.86Å; R958-E1048 IonicContact NH1-OE1 2.73Å; R958-E1048 IonicContact NH2-OE1 2.8Å; R1045-E1048 PolarHBondContact O-N 2.9Å; E1048-D1051 PolarHBondContact O-N 2.83Å; E1048-I1052 WeakPolarHBondContact O-CG1 3.04Å; E1048-I1052 PolarHBondContact O-N 3.41Å; E1048-I1052 VanDerWaalsContact O-N 3.16Å |
| 1049 | M | 92.1 | Very high | 87.5 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.9 | -39.5 | 176.5 | -57.4 | -40.1 | 177.9 | 0 | 0 | 111.8 | L916 A957 L1033 L1041 R1045 F1046 P1047 D1051 I1052 L1053 L1112 | L916-M1049 HydrophobicContact CB-CE 4.45Å; L916-M1049 HydrophobicContact CD2-CE 4.1Å; L916-M1049 HydrophobicContact CD2-SD 4.23Å; A957-M1049 HydrophobicContact CB-SD 4.48Å; L1033-M1049 HydrophobicContact CD2-CB 3.97Å; L1033-M1049 HydrophobicContact CD2-CG 3.97Å; L1033-M1049 HydrophobicContact CD2-SD 3.22Å; L1033-M1049 WeakPolarHBondContact CD2-SD 3.46Å; L1041-M1049 HydrophobicContact CD1-CE 3.36Å; R1045-M1049 WeakPolarHBondContact O-CG 3.47Å; R1045-M1049 PolarHBondContact O-N 3Å; F1046-M1049 PolarHBondContact O-N 3.47Å; P1047-M1049 PolarHBondContact O-N 2.66Å; M1049-D1051 VanDerWaalsContact C-N 3.34Å; M1049-I1052 PolarHBondContact O-N 3.08Å; M1049-I1052 HydrophobicContact SD-CD1 4.46Å; M1049-L1053 WeakPolarHBondContact O-CG 3.45Å; M1049-L1053 PolarHBondContact O-N 3.24Å; M1049-L1112 HydrophobicContact CB-CD1 4.42Å |
| 1050 | A | 95.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.3 | -38.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F1046 P1047 L1053 Y1054 S1105 I1108 V1109 L1112 | F1046-A1050 WeakPolarHBondContact O-CB 3.41Å; F1046-A1050 PolarHBondContact O-N 2.86Å; P1047-A1050 PolarHBondContact O-N 3.1Å; A1050-L1053 PolarHBondContact O-N 2.65Å; A1050-Y1054 VanDerWaalsContact O-CB 3.27Å; A1050-Y1054 WeakPolarHBondContact O-CB 3.41Å; A1050-Y1054 PolarHBondContact O-N 3.42Å; A1050-S1105 VanDerWaalsContact C-OG 3.31Å; A1050-S1105 WeakPolarHBondContact CB-OG 3.43Å; A1050-I1108 HydrophobicContact CB-CB 3.92Å; A1050-I1108 HydrophobicContact CB-CG2 3.76Å; A1050-V1109 HydrophobicContact CB-CB 4.38Å; A1050-V1109 HydrophobicContact CB-CG2 3.39Å; A1050-L1112 HydrophobicContact CB-CD1 4.19Å |
| 1051 | D | 95.9 | Very high | 89.4 | Confident | 55 Ų | 55 | 41 Ų | 41 | 29% | 0.294 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.5 | -44.5 | 175.2 | -75 | -17.9 | 0 | 0 | 0 | 111.4 | I961 P1047 E1048 M1049 L1053 Y1054 H1055 S1105 | I961-D1051 HydrophobicContact CD1-CB 3.72Å; I961-D1051 HydrophobicContact CG1-CB 4.15Å; P1047-D1051 PolarHBondContact O-N 3.22Å; E1048-D1051 PolarHBondContact O-N 2.83Å; M1049-D1051 VanDerWaalsContact C-N 3.34Å; D1051-L1053 PolarHBondContact O-N 3.15Å; D1051-Y1054 PolarHBondContact O-N 2.96Å; D1051-H1055 WeakPolarHBondContact O-CB 3.42Å; D1051-H1055 PolarHBondContact O-CD2 2.84Å; D1051-H1055 PolarHBondContact O-N 3.34Å; D1051-S1105 PolarHBondContact N-OG 3.08Å; D1051-S1105 WeakPolarHBondContact OD1-CB 3.23Å; D1051-S1105 PolarHBondContact OD1-OG 3.44Å |
| 1052 | I | 96.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.1 | -47.5 | 175.6 | -61.9 | 165.1 | 0 | 0 | 0 | 110.8 | A957 F960 I961 I964 L1029 L1033 E1048 M1049 Y1054 H1055 L1056 | A957-I1052 HydrophobicContact CB-CD1 3.84Å; F960-I1052 HydrophobicContact CB-CD1 4.11Å; F960-I1052 HydrophobicContact CB-CG1 4.24Å; I961-I1052 HydrophobicContact CD1-CG1 4.36Å; I961-I1052 HydrophobicContact CG1-CG1 3.68Å; I964-I1052 HydrophobicContact CD1-CG2 4.04Å; L1029-I1052 HydrophobicContact CD1-CG2 4.36Å; L1029-I1052 HydrophobicContact CD2-CG2 3.89Å; L1029-I1052 HydrophobicContact CG-CG2 4.18Å; L1033-I1052 HydrophobicContact CD1-CB 4.03Å; L1033-I1052 HydrophobicContact CD1-CG2 3.67Å; L1033-I1052 HydrophobicContact CD2-CD1 3.96Å; E1048-I1052 WeakPolarHBondContact O-CG1 3.04Å; E1048-I1052 PolarHBondContact O-N 3.41Å; E1048-I1052 VanDerWaalsContact O-N 3.16Å; M1049-I1052 PolarHBondContact O-N 3.08Å; M1049-I1052 HydrophobicContact SD-CD1 4.46Å; I1052-Y1054 VanDerWaalsContact C-N 3.31Å; I1052-Y1054 PolarHBondContact O-N 3.32Å; I1052-H1055 PolarHBondContact O-N 3.38Å; I1052-L1056 HydrophobicContact CG2-CD1 3.9Å; I1052-L1056 HydrophobicContact CG2-CG 4.25Å; I1052-L1056 WeakPolarHBondContact O-CB 3.5Å; I1052-L1056 VanDerWaalsContact O-CG 3.3Å; I1052-L1056 WeakPolarHBondContact O-CG 3.35Å; I1052-L1056 PolarHBondContact O-N 3.03Å |
| 1053 | L | 96.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.6 | -41.2 | 177.3 | -70 | 177.6 | 0 | 0 | 0 | 111.6 | V1030 L1033 M1049 A1050 D1051 K1057 F1065 I1108 L1112 | V1030-L1053 HydrophobicContact CG1-CD2 4.2Å; V1030-L1053 HydrophobicContact CG2-CD2 4.17Å; L1033-L1053 HydrophobicContact CD1-CD2 3.73Å; L1033-L1053 HydrophobicContact CD1-CG 4Å; M1049-L1053 WeakPolarHBondContact O-CG 3.45Å; M1049-L1053 PolarHBondContact O-N 3.24Å; A1050-L1053 PolarHBondContact O-N 2.65Å; D1051-L1053 PolarHBondContact O-N 3.15Å; L1053-K1057 VanDerWaalsContact O-CB 3.22Å; L1053-K1057 WeakPolarHBondContact O-CB 3.34Å; L1053-K1057 PolarHBondContact O-N 2.99Å; L1053-F1065 HydrophobicContact CB-CZ 4.37Å; L1053-F1065 HydrophobicContact CD2-CE2 4.38Å; L1053-F1065 HydrophobicContact CD2-CZ 4.1Å; L1053-F1065 WeakPolarHBondContact O-CZ 3.48Å; L1053-I1108 HydrophobicContact CB-CG2 4.37Å; L1053-I1108 HydrophobicContact CD1-CG2 4.08Å; L1053-L1112 HydrophobicContact CD1-CD1 4.26Å; L1053-L1112 HydrophobicContact CD1-CD2 4.26Å |
| 1054 | Y | 96.8 | Very high | 92.6 | Very high | 66 Ų | 66 | 46 Ų | 46 | 26% | 0.259 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.2 | -52.4 | 177.2 | 178.5 | -101.1 | 0 | 0 | 0 | 111.4 | A1050 D1051 I1052 L1056 K1057 V1058 S1103 I1108 | A1050-Y1054 VanDerWaalsContact O-CB 3.27Å; A1050-Y1054 WeakPolarHBondContact O-CB 3.41Å; A1050-Y1054 PolarHBondContact O-N 3.42Å; D1051-Y1054 PolarHBondContact O-N 2.96Å; I1052-Y1054 VanDerWaalsContact C-N 3.31Å; I1052-Y1054 PolarHBondContact O-N 3.32Å; Y1054-L1056 PolarHBondContact O-N 3.17Å; Y1054-K1057 PolarHBondContact O-N 3.34Å; Y1054-V1058 HydrophobicContact CD1-CG2 4.47Å; Y1054-V1058 HydrophobicContact CE1-CG2 4.08Å; Y1054-V1058 HydrophobicContact CE2-CG2 4.14Å; Y1054-V1058 WeakPolarHBondContact O-CG2 3.34Å; Y1054-V1058 PolarHBondContact O-N 3.37Å; Y1054-S1103 WeakPolarHBondContact CE2-O 3.34Å; Y1054-S1103 PolarHBondContact OH-O 2.89Å; Y1054-I1108 HydrophobicContact CD2-CD1 4.37Å |
| 1055 | H | 96 | Very high | 93.4 | Very high | 49 Ų | 49 | 39.4 Ų | 39.4 | 23% | 0.227 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.4 | -40.3 | -179.6 | -75 | -67 | 0 | 0 | 0 | 112.5 | I964 D1051 I1052 V1058 M1059 | I964-H1055 HydrophobicContact CB-CB 4.4Å; I964-H1055 HydrophobicContact CG2-CB 3.75Å; D1051-H1055 WeakPolarHBondContact O-CB 3.42Å; D1051-H1055 PolarHBondContact O-CD2 2.84Å; D1051-H1055 PolarHBondContact O-N 3.34Å; I1052-H1055 PolarHBondContact O-N 3.38Å; H1055-V1058 PolarHBondContact O-N 3.36Å; H1055-M1059 WeakPolarHBondContact O-CB 3.46Å; H1055-M1059 PolarHBondContact O-N 3.32Å |
| 1056 | L | 96.2 | Very high | 94 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.2 | -45.4 | 172.6 | -75 | 176 | 0 | 0 | 0 | 111.6 | I964 L1006 L1029 V1030 I1052 Y1054 V1058 M1059 I1060 F1065 | I964-L1056 HydrophobicContact CD1-CD2 3.69Å; I964-L1056 HydrophobicContact CD1-CG 3.81Å; I964-L1056 HydrophobicContact CG1-CD2 4.22Å; L1006-L1056 HydrophobicContact CD2-CD2 3.95Å; L1029-L1056 HydrophobicContact CD2-CD1 3.9Å; L1029-L1056 HydrophobicContact CG-CD1 4.21Å; V1030-L1056 HydrophobicContact CG2-CD1 3.95Å; I1052-L1056 HydrophobicContact CG2-CD1 3.9Å; I1052-L1056 HydrophobicContact CG2-CG 4.25Å; I1052-L1056 WeakPolarHBondContact O-CB 3.5Å; I1052-L1056 VanDerWaalsContact O-CG 3.3Å; I1052-L1056 WeakPolarHBondContact O-CG 3.35Å; I1052-L1056 PolarHBondContact O-N 3.03Å; Y1054-L1056 PolarHBondContact O-N 3.17Å; L1056-V1058 VanDerWaalsContact C-N 3.31Å; L1056-V1058 PolarHBondContact O-N 2.94Å; L1056-M1059 PolarHBondContact O-N 2.91Å; L1056-I1060 VanDerWaalsContact O-CB 3.22Å; L1056-I1060 WeakPolarHBondContact O-CB 3.33Å; L1056-I1060 VanDerWaalsContact O-CG1 3.29Å; L1056-I1060 WeakPolarHBondContact O-CG1 3.36Å; L1056-I1060 PolarHBondContact O-N 3.04Å; L1056-F1065 HydrophobicContact CB-CD2 4.04Å; L1056-F1065 HydrophobicContact CB-CE2 3.71Å |
| 1057 | K | 94.7 | Very high | 94.3 | Very high | 22 Ų | 22 | 42.5 Ų | 42.5 | 10% | 0.096 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.9 | -37.1 | 179.2 | -173.9 | -172.9 | 69.3 | 169.2 | 0 | 112.5 | L1053 Y1054 F1065 V1099 M1100 S1102 | L1053-K1057 VanDerWaalsContact O-CB 3.22Å; L1053-K1057 WeakPolarHBondContact O-CB 3.34Å; L1053-K1057 PolarHBondContact O-N 2.99Å; Y1054-K1057 PolarHBondContact O-N 3.34Å; K1057-F1065 HydrophobicContact CB-CD1 3.9Å; K1057-F1065 HydrophobicContact CB-CD2 4.4Å; K1057-F1065 HydrophobicContact CB-CE1 3.71Å; K1057-F1065 HydrophobicContact CB-CE2 4.23Å; K1057-F1065 HydrophobicContact CB-CG 4.24Å; K1057-F1065 HydrophobicContact CB-CZ 3.89Å; K1057-F1065 HydrophobicContact CD-CD1 4.48Å; K1057-F1065 HydrophobicContact CD-CE1 4.23Å; K1057-F1065 HydrophobicContact CG-CD1 3.8Å; K1057-F1065 HydrophobicContact CG-CE1 3.88Å; K1057-F1065 HydrophobicContact CG-CG 4.41Å; K1057-V1099 VanDerWaalsContact CD-O 3.3Å; K1057-V1099 WeakPolarHBondContact CD-O 3.44Å; K1057-V1099 PolarHBondContact NZ-O 3.32Å; K1057-M1100 WeakPolarHBondContact CD-O 3.38Å; K1057-M1100 PolarHBondContact NZ-O 2.9Å; K1057-S1102 PolarHBondContact NZ-O 3.5Å; K1057-S1102 PolarHBondContact NZ-OG 2.94Å |
| 1058 | V | 93.2 | Very high | 94.4 | Very high | 84 Ų | 84 | 40.3 Ų | 40.3 | 51% | 0.509 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -69.7 | -40.2 | 178.2 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | Y1054 H1055 L1056 | Y1054-V1058 HydrophobicContact CD1-CG2 4.47Å; Y1054-V1058 HydrophobicContact CE1-CG2 4.08Å; Y1054-V1058 HydrophobicContact CE2-CG2 4.14Å; Y1054-V1058 WeakPolarHBondContact O-CG2 3.34Å; Y1054-V1058 PolarHBondContact O-N 3.37Å; H1055-V1058 PolarHBondContact O-N 3.36Å; L1056-V1058 VanDerWaalsContact C-N 3.31Å; L1056-V1058 PolarHBondContact O-N 2.94Å |
| 1059 | M | 93.2 | Very high | 94.6 | Very high | 15 Ų | 15 | 38.7 Ų | 38.7 | 7% | 0.074 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -82.4 | -37.1 | -176 | -174.2 | -179.5 | 69.8 | 0 | 0 | 113.4 | I964 T967 N968 P975 L1006 H1055 L1056 | I964-M1059 HydrophobicContact CG2-CE 3.94Å; I964-M1059 HydrophobicContact CG2-SD 4.04Å; T967-M1059 HydrophobicContact CG2-SD 3.96Å; N968-M1059 HydrophobicContact CB-CG 4.27Å; N968-M1059 HydrophobicContact CB-SD 4.09Å; P975-M1059 HydrophobicContact CG-CG 4.09Å; L1006-M1059 HydrophobicContact CD1-CE 3.24Å; H1055-M1059 WeakPolarHBondContact O-CB 3.46Å; H1055-M1059 PolarHBondContact O-N 3.32Å; L1056-M1059 PolarHBondContact O-N 2.91Å |
| 1060 | I | 93.3 | Very high | 94.8 | Very high | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -92.2 | 144.1 | -175.4 | -57.5 | -61.7 | 0 | 0 | 0 | 110.3 | P975 T1007 L1056 Q1062 M1064 F1065 W1068 | P975-I1060 HydrophobicContact CB-CD1 3.85Å; P975-I1060 HydrophobicContact CG-CD1 4.01Å; T1007-I1060 HydrophobicContact CG2-CD1 3.84Å; L1056-I1060 VanDerWaalsContact O-CB 3.22Å; L1056-I1060 WeakPolarHBondContact O-CB 3.33Å; L1056-I1060 VanDerWaalsContact O-CG1 3.29Å; L1056-I1060 WeakPolarHBondContact O-CG1 3.36Å; L1056-I1060 PolarHBondContact O-N 3.04Å; I1060-Q1062 PolarHBondContact O-N 3.26Å; I1060-M1064 HydrophobicContact CD1-CE 4.24Å; I1060-M1064 HydrophobicContact CG2-CB 3.95Å; I1060-M1064 HydrophobicContact CG2-CE 3.53Å; I1060-M1064 HydrophobicContact CG2-CG 4.3Å; I1060-F1065 HydrophobicContact CB-CB 4.43Å; I1060-F1065 HydrophobicContact CG2-CB 4.19Å; I1060-W1068 HydrophobicContact CB-CZ3 4.44Å; I1060-W1068 HydrophobicContact CD1-CH2 4.16Å; I1060-W1068 HydrophobicContact CD1-CZ3 4.47Å; I1060-W1068 HydrophobicContact CG1-CH2 4.06Å; I1060-W1068 HydrophobicContact CG1-CZ3 3.87Å; I1060-W1068 HydrophobicContact CG2-CH2 4.16Å; I1060-W1068 HydrophobicContact CG2-CZ3 4.11Å |
| 1061 | N | 90.5 | Very high | 94.7 | Very high | 73 Ų | 73 | 47 Ų | 47 | 39% | 0.39 | 23% | 0.231 | S | C | . | . | trans | -56.3 | 139.6 | 175.1 | 174.9 | -86.3 | 0 | 0 | 0 | 111.9 | M976 E1063 M1064 F1065 | M976-N1061 HydrophobicContact CG-CB 3.48Å; M976-N1061 VanDerWaalsContact CG-CB 3.48Å; M976-N1061 HydrophobicContact SD-CB 3.8Å; N1061-E1063 VanDerWaalsContact C-N 3.27Å; N1061-E1063 PolarHBondContact O-N 3.29Å; N1061-E1063 VanDerWaalsContact O-N 3.16Å; N1061-E1063 WeakPolarHBondContact OD1-CB 3.4Å; N1061-E1063 PolarHBondContact OD1-N 2.98Å; N1061-M1064 PolarHBondContact O-N 3.35Å; N1061-M1064 VanDerWaalsContact O-N 3.1Å; N1061-F1065 PolarHBondContact O-N 3.15Å; N1061-F1065 VanDerWaalsContact O-N 3.08Å | ||
| 1062 | Q | 92.2 | Very high | 94.6 | Very high | 139 Ų | 139 | 44.5 Ų | 44.5 | 65% | 0.65 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -52.9 | -39.4 | -174.6 | -70.2 | -174.1 | -18.7 | 0 | 0 | 113.8 | I1060 L1066 M1100 | I1060-Q1062 PolarHBondContact O-N 3.26Å; Q1062-L1066 WeakPolarHBondContact O-CB 3.3Å; Q1062-L1066 PolarHBondContact O-N 3.17Å; Q1062-M1100 HydrophobicContact CB-CE 3.87Å; Q1062-M1100 HydrophobicContact CG-CE 4.21Å; Q1062-M1100 WeakPolarHBondContact O-CE 3.31Å |
| 1063 | E | 93.1 | Very high | 94.5 | Very high | 141 Ų | 141 | 44.7 Ų | 44.7 | 66% | 0.659 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -67.6 | -43.4 | -178.6 | -171.4 | -179.4 | 174.1 | 0 | 0 | 111.5 | N1061 N1067 | N1061-E1063 VanDerWaalsContact C-N 3.27Å; N1061-E1063 PolarHBondContact O-N 3.29Å; N1061-E1063 VanDerWaalsContact O-N 3.16Å; N1061-E1063 WeakPolarHBondContact OD1-CB 3.4Å; N1061-E1063 PolarHBondContact OD1-N 2.98Å; E1063-N1067 VanDerWaalsContact O-CG 3.27Å; E1063-N1067 PolarHBondContact O-N 3.06Å; E1063-N1067 PolarHBondContact O-ND2 2.95Å |
| 1064 | M | 93.5 | Very high | 94.2 | Very high | 31 Ų | 31 | 48.4 Ų | 48.4 | 15% | 0.153 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69 | -44.3 | -179.3 | -167.8 | 168.3 | 95.3 | 0 | 0 | 111.6 | T1007 I1060 N1061 N1067 W1068 | T1007-M1064 HydrophobicContact CG2-CE 3.4Å; I1060-M1064 HydrophobicContact CD1-CE 4.24Å; I1060-M1064 HydrophobicContact CG2-CB 3.95Å; I1060-M1064 HydrophobicContact CG2-CE 3.53Å; I1060-M1064 HydrophobicContact CG2-CG 4.3Å; N1061-M1064 PolarHBondContact O-N 3.35Å; N1061-M1064 VanDerWaalsContact O-N 3.1Å; M1064-N1067 PolarHBondContact O-N 3.34Å; M1064-W1068 HydrophobicContact CE-CH2 3.41Å; M1064-W1068 VanDerWaalsContact CE-CH2 3.41Å; M1064-W1068 HydrophobicContact CE-CZ2 3.13Å; M1064-W1068 HydrophobicContact CE-CZ3 4.43Å; M1064-W1068 HydrophobicContact CG-CZ2 4.08Å; M1064-W1068 PolarHBondContact O-N 2.85Å; M1064-W1068 HydrophobicContact SD-CZ2 4.13Å |
| 1065 | F | 95.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.6 | -40.6 | 177.1 | -177.4 | -96.5 | 0 | 0 | 0 | 111.9 | V1030 L1053 L1056 K1057 I1060 N1061 N1067 W1068 L1069 V1099 M1100 | V1030-F1065 HydrophobicContact CG2-CE2 4.08Å; L1053-F1065 HydrophobicContact CB-CZ 4.37Å; L1053-F1065 HydrophobicContact CD2-CE2 4.38Å; L1053-F1065 HydrophobicContact CD2-CZ 4.1Å; L1053-F1065 WeakPolarHBondContact O-CZ 3.48Å; L1056-F1065 HydrophobicContact CB-CD2 4.04Å; L1056-F1065 HydrophobicContact CB-CE2 3.71Å; K1057-F1065 HydrophobicContact CB-CD1 3.9Å; K1057-F1065 HydrophobicContact CB-CD2 4.4Å; K1057-F1065 HydrophobicContact CB-CE1 3.71Å; K1057-F1065 HydrophobicContact CB-CE2 4.23Å; K1057-F1065 HydrophobicContact CB-CG 4.24Å; K1057-F1065 HydrophobicContact CB-CZ 3.89Å; K1057-F1065 HydrophobicContact CD-CD1 4.48Å; K1057-F1065 HydrophobicContact CD-CE1 4.23Å; K1057-F1065 HydrophobicContact CG-CD1 3.8Å; K1057-F1065 HydrophobicContact CG-CE1 3.88Å; K1057-F1065 HydrophobicContact CG-CG 4.41Å; I1060-F1065 HydrophobicContact CB-CB 4.43Å; I1060-F1065 HydrophobicContact CG2-CB 4.19Å; N1061-F1065 PolarHBondContact O-N 3.15Å; N1061-F1065 VanDerWaalsContact O-N 3.08Å; F1065-N1067 VanDerWaalsContact C-N 3.33Å; F1065-N1067 PolarHBondContact O-N 3.15Å; F1065-W1068 HydrophobicContact CD2-CE3 4.12Å; F1065-W1068 WeakPolarHBondContact O-CB 3.46Å; F1065-W1068 PolarHBondContact O-N 2.98Å; F1065-W1068 VanDerWaalsContact O-N 3.15Å; F1065-L1069 PolarHBondContact O-N 3.34Å; F1065-V1099 HydrophobicContact CE1-CG1 4.11Å; F1065-M1100 HydrophobicContact CD1-SD 3.66Å; F1065-M1100 HydrophobicContact CE1-SD 4.14Å |
| 1066 | L | 95.9 | Very high | 93.3 | Very high | 43 Ų | 43 | 47.8 Ų | 47.8 | 23% | 0.225 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.7 | -40.5 | 174.8 | 179.4 | 58.4 | 0 | 0 | 0 | 111.9 | Q1062 W1068 L1069 K1070 M1100 | Q1062-L1066 WeakPolarHBondContact O-CB 3.3Å; Q1062-L1066 PolarHBondContact O-N 3.17Å; L1066-W1068 VanDerWaalsContact C-N 3.32Å; L1066-W1068 PolarHBondContact O-N 3.46Å; L1066-L1069 PolarHBondContact O-N 3.43Å; L1066-K1070 HydrophobicContact CD1-CD 4.47Å; L1066-K1070 HydrophobicContact CD1-CG 4.36Å; L1066-K1070 HydrophobicContact CG-CD 4.28Å; L1066-K1070 WeakPolarHBondContact O-CB 3.49Å; L1066-K1070 WeakPolarHBondContact O-CG 3.24Å; L1066-K1070 PolarHBondContact O-N 3Å; L1066-M1100 HydrophobicContact CB-CE 4.04Å; L1066-M1100 HydrophobicContact CB-SD 3.99Å; L1066-M1100 HydrophobicContact CD1-CG 3.89Å; L1066-M1100 HydrophobicContact CD1-SD 4.17Å |
| 1067 | N | 94.8 | Very high | 92.7 | Very high | 75 Ų | 75 | 51.9 Ų | 51.9 | 40% | 0.401 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.1 | -39.3 | 174.5 | -74.2 | -25.7 | 0 | 0 | 0 | 111.6 | E1063 M1064 F1065 K1070 N1071 | E1063-N1067 VanDerWaalsContact O-CG 3.27Å; E1063-N1067 PolarHBondContact O-N 3.06Å; E1063-N1067 PolarHBondContact O-ND2 2.95Å; M1064-N1067 PolarHBondContact O-N 3.34Å; F1065-N1067 VanDerWaalsContact C-N 3.33Å; F1065-N1067 PolarHBondContact O-N 3.15Å; N1067-K1070 PolarHBondContact O-N 3.39Å; N1067-N1071 WeakPolarHBondContact O-CB 3.43Å; N1067-N1071 VanDerWaalsContact O-CG 3.25Å; N1067-N1071 PolarHBondContact O-N 2.88Å; N1067-N1071 PolarHBondContact O-ND2 3.44Å |
| 1068 | W | 95.7 | Very high | 92.3 | Very high | 13 Ų | 13 | 52.6 Ų | 52.6 | 5% | 0.049 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.8 | -45.5 | 173.8 | -64.1 | -14.2 | 0 | 0 | 0 | 112.7 | L1006 C1024 Q1027 V1030 I1060 M1064 F1065 L1066 N1071 A1072 | L1006-W1068 WeakPolarHBondContact O-CH2 3.28Å; L1006-W1068 WeakPolarHBondContact O-CZ2 3.45Å; C1024-W1068 VanDerWaalsContact SG-CZ2 3.59Å; Q1027-W1068 HydrophobicContact CB-CG 4.22Å; Q1027-W1068 PolarHBondContact NE2-O 3.36Å; Q1027-W1068 VanDerWaalsContact OE1-CA 3.28Å; Q1027-W1068 VanDerWaalsContact OE1-CD1 3.23Å; V1030-W1068 HydrophobicContact CB-CB 4.27Å; V1030-W1068 HydrophobicContact CG1-CB 4.33Å; V1030-W1068 HydrophobicContact CG2-CB 4.24Å; V1030-W1068 HydrophobicContact CG2-CE3 4.09Å; I1060-W1068 HydrophobicContact CB-CZ3 4.44Å; I1060-W1068 HydrophobicContact CD1-CH2 4.16Å; I1060-W1068 HydrophobicContact CD1-CZ3 4.47Å; I1060-W1068 HydrophobicContact CG1-CH2 4.06Å; I1060-W1068 HydrophobicContact CG1-CZ3 3.87Å; I1060-W1068 HydrophobicContact CG2-CH2 4.16Å; I1060-W1068 HydrophobicContact CG2-CZ3 4.11Å; M1064-W1068 HydrophobicContact CE-CH2 3.41Å; M1064-W1068 VanDerWaalsContact CE-CH2 3.41Å; M1064-W1068 HydrophobicContact CE-CZ2 3.13Å; M1064-W1068 HydrophobicContact CE-CZ3 4.43Å; M1064-W1068 HydrophobicContact CG-CZ2 4.08Å; M1064-W1068 PolarHBondContact O-N 2.85Å; M1064-W1068 HydrophobicContact SD-CZ2 4.13Å; F1065-W1068 HydrophobicContact CD2-CE3 4.12Å; F1065-W1068 WeakPolarHBondContact O-CB 3.46Å; F1065-W1068 PolarHBondContact O-N 2.98Å; F1065-W1068 VanDerWaalsContact O-N 3.15Å; L1066-W1068 VanDerWaalsContact C-N 3.32Å; L1066-W1068 PolarHBondContact O-N 3.46Å; W1068-N1071 PolarHBondContact O-N 2.89Å; W1068-A1072 VanDerWaalsContact O-CB 3.31Å; W1068-A1072 WeakPolarHBondContact O-CB 3.42Å; W1068-A1072 PolarHBondContact O-N 3.49Å |
| 1069 | L | 95.5 | Very high | 92 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.2 | -44 | 178.3 | -168.1 | 68.3 | 0 | 0 | 0 | 111.8 | V1030 L1034 F1065 L1066 A1072 V1073 F1095 Q1096 V1099 | V1030-L1069 HydrophobicContact CG1-CD1 4.34Å; L1034-L1069 HydrophobicContact CD1-CD1 3.99Å; F1065-L1069 PolarHBondContact O-N 3.34Å; L1066-L1069 PolarHBondContact O-N 3.43Å; L1069-A1072 PolarHBondContact O-N 2.91Å; L1069-V1073 WeakPolarHBondContact O-CG2 3.3Å; L1069-V1073 PolarHBondContact O-N 3.34Å; L1069-F1095 HydrophobicContact CD1-CE1 4.09Å; L1069-Q1096 HydrophobicContact CD2-CB 4.22Å; L1069-Q1096 HydrophobicContact CD2-CG 4Å; L1069-Q1096 HydrophobicContact CG-CG 4.37Å; L1069-V1099 HydrophobicContact CD2-CB 4Å; L1069-V1099 HydrophobicContact CD2-CG1 3.92Å |
| 1070 | K | 95.4 | Very high | 91.4 | Very high | 90 Ų | 90 | 54.7 Ų | 54.7 | 39% | 0.391 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.3 | -47 | 176.9 | -77 | 176.6 | 177.7 | 178.2 | 0 | 112.3 | L1066 N1067 A1072 V1073 A1074 | L1066-K1070 HydrophobicContact CD1-CD 4.47Å; L1066-K1070 HydrophobicContact CD1-CG 4.36Å; L1066-K1070 HydrophobicContact CG-CD 4.28Å; L1066-K1070 WeakPolarHBondContact O-CB 3.49Å; L1066-K1070 WeakPolarHBondContact O-CG 3.24Å; L1066-K1070 PolarHBondContact O-N 3Å; N1067-K1070 PolarHBondContact O-N 3.39Å; K1070-A1072 VanDerWaalsContact C-N 3.31Å; K1070-A1072 PolarHBondContact O-N 2.89Å; K1070-V1073 PolarHBondContact O-N 3.46Å; K1070-A1074 WeakPolarHBondContact O-CB 3.38Å; K1070-A1074 PolarHBondContact O-N 3.3Å |
| 1071 | N | 93.8 | Very high | 90.7 | Very high | 84 Ų | 84 | 60.3 Ų | 60.3 | 45% | 0.449 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.5 | -39.8 | 177.3 | -70.9 | -20.7 | 0 | 0 | 0 | 111.4 | Q1027 N1067 W1068 A1074 N1075 | Q1027-N1071 PolarHBondContact OE1-ND2 3.04Å; N1067-N1071 WeakPolarHBondContact O-CB 3.43Å; N1067-N1071 VanDerWaalsContact O-CG 3.25Å; N1067-N1071 PolarHBondContact O-N 2.88Å; N1067-N1071 PolarHBondContact O-ND2 3.44Å; W1068-N1071 PolarHBondContact O-N 2.89Å; N1071-A1074 PolarHBondContact O-N 3.29Å; N1071-N1075 VanDerWaalsContact O-CG 3.28Å; N1071-N1075 PolarHBondContact O-N 2.8Å; N1071-N1075 PolarHBondContact O-ND2 3Å |
| 1072 | A | 94 | Very high | 90 | Very high | 3 Ų | 3 | 58 Ų | 58 | 3% | 0.025 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.8 | -42.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | V1030 L1034 W1068 L1069 K1070 N1075 | V1030-A1072 HydrophobicContact CG1-CB 3.97Å; L1034-A1072 HydrophobicContact CB-CB 4.49Å; L1034-A1072 HydrophobicContact CD1-CB 3.63Å; L1034-A1072 HydrophobicContact CG-CB 4.22Å; W1068-A1072 VanDerWaalsContact O-CB 3.31Å; W1068-A1072 WeakPolarHBondContact O-CB 3.42Å; W1068-A1072 PolarHBondContact O-N 3.49Å; L1069-A1072 PolarHBondContact O-N 2.91Å; K1070-A1072 VanDerWaalsContact C-N 3.31Å; K1070-A1072 PolarHBondContact O-N 2.89Å; A1072-N1075 PolarHBondContact O-N 2.93Å |
| 1073 | V | 93.6 | Very high | 89.4 | Confident | 5 Ų | 5 | 53.7 Ų | 53.7 | 3% | 0.03 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.8 | -38 | 174.7 | 174.9 | 0 | 0 | 0 | 0 | 111.9 | L1034 L1069 K1070 N1075 L1076 T1078 I1092 F1095 F1115 | L1034-V1073 HydrophobicContact CD1-CG2 3.66Å; L1069-V1073 WeakPolarHBondContact O-CG2 3.3Å; L1069-V1073 PolarHBondContact O-N 3.34Å; K1070-V1073 PolarHBondContact O-N 3.46Å; V1073-N1075 PolarHBondContact O-N 2.81Å; V1073-L1076 WeakPolarHBondContact O-CB 3.41Å; V1073-L1076 PolarHBondContact O-N 3.32Å; V1073-T1078 HydrophobicContact CG1-CG2 4.45Å; V1073-I1092 HydrophobicContact CG1-CD1 4.4Å; V1073-I1092 HydrophobicContact CG1-CG1 4.22Å; V1073-I1092 HydrophobicContact CG1-CG2 3.79Å; V1073-F1095 HydrophobicContact CG2-CD1 4.35Å; V1073-F1095 HydrophobicContact CG2-CE1 4.21Å; V1073-F1115 HydrophobicContact CG1-CZ 4.05Å; V1073-F1115 HydrophobicContact CG2-CE1 4.43Å; V1073-F1115 HydrophobicContact CG2-CZ 4.28Å |
| 1074 | A | 90.9 | Very high | 89 | Confident | 78 Ų | 78 | 47.9 Ų | 47.9 | 65% | 0.645 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -63.8 | -24.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | K1070 N1071 L1076 | K1070-A1074 WeakPolarHBondContact O-CB 3.38Å; K1070-A1074 PolarHBondContact O-N 3.3Å; N1071-A1074 PolarHBondContact O-N 3.29Å; A1074-L1076 VanDerWaalsContact C-N 3.27Å |
| 1075 | N | 86.9 | Confident | 88.9 | Confident | 91 Ų | 91 | 49.3 Ų | 49.3 | 49% | 0.487 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -7.8 | 173.9 | -63.2 | -36.9 | 0 | 0 | 0 | 113.3 | M1020 N1071 A1072 V1073 | M1020-N1075 WeakPolarHBondContact CE-ND2 3.47Å; N1071-N1075 VanDerWaalsContact O-CG 3.28Å; N1071-N1075 PolarHBondContact O-N 2.8Å; N1071-N1075 PolarHBondContact O-ND2 3Å; A1072-N1075 PolarHBondContact O-N 2.93Å; V1073-N1075 PolarHBondContact O-N 2.81Å |
| 1076 | L | 86.9 | Confident | 88.6 | Confident | 10 Ų | 10 | 51 Ų | 51 | 5% | 0.052 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -88.4 | 139.3 | 171.1 | -57.4 | 172.7 | 0 | 0 | 0 | 109.6 | C1038 L1039 V1073 A1074 T1078 F1115 F1119 | C1038-L1076 HydrophobicContact CB-CD1 4.22Å; C1038-L1076 HydrophobicContact CB-CD2 4.15Å; L1039-L1076 HydrophobicContact CD1-CD2 4.22Å; L1039-L1076 HydrophobicContact CG-CD2 4.45Å; V1073-L1076 WeakPolarHBondContact O-CB 3.41Å; V1073-L1076 PolarHBondContact O-N 3.32Å; A1074-L1076 VanDerWaalsContact C-N 3.27Å; L1076-T1078 VanDerWaalsContact C-N 3.26Å; L1076-T1078 PolarHBondContact O-N 3.37Å; L1076-F1115 HydrophobicContact CD1-CE1 3.86Å; L1076-F1119 HydrophobicContact CB-CE1 4.03Å; L1076-F1119 HydrophobicContact CB-CZ 4.08Å; L1076-F1119 HydrophobicContact CD1-CE2 4.33Å; L1076-F1119 HydrophobicContact CD1-CZ 4.09Å |
| 1077 | S | 84.4 | Confident | 88.5 | Confident | 87 Ų | 87 | 49.1 Ų | 49.1 | 61% | 0.608 | 29% | 0.29 | S | S | * | . | trans | -72.5 | 68.7 | -179.7 | -58.4 | 0 | 0 | 0 | 0 | 112.9 | I1079 Q1086 | S1077-I1079 PolarHBondContact O-N 2.88Å; S1077-I1079 VanDerWaalsContact O-N 3.1Å; S1077-Q1086 PolarHBondContact O-OE1 3.29Å | ||
| 1078 | T | 86.5 | Confident | 88.4 | Confident | 36 Ų | 36 | 48 Ų | 48 | 22% | 0.221 | 29% | 0.286 | C | S | . | . | trans | -59.2 | -25.3 | -174.1 | 54.1 | 0 | 0 | 0 | 0 | 114.9 | V1073 L1076 Q1086 A1087 I1092 F1119 | V1073-T1078 HydrophobicContact CG1-CG2 4.45Å; L1076-T1078 VanDerWaalsContact C-N 3.26Å; L1076-T1078 PolarHBondContact O-N 3.37Å; T1078-Q1086 WeakPolarHBondContact O-CB 3.24Å; T1078-Q1086 PolarHBondContact O-N 2.86Å; T1078-A1087 PolarHBondContact O-N 3.3Å; T1078-I1092 HydrophobicContact CG2-CD1 3.65Å; T1078-F1119 HydrophobicContact CG2-CZ 4.41Å | ||
| 1079 | I | 86.5 | Confident | 88.3 | Confident | 107 Ų | 107 | 53.7 Ų | 53.7 | 55% | 0.549 | 31% | 0.313 | S | S | . | . | B | Isolated β-bridge | trans | -129.5 | 127.3 | 173 | -56.5 | 175.5 | 0 | 0 | 0 | 108.9 | S1077 | S1077-I1079 PolarHBondContact O-N 2.88Å; S1077-I1079 VanDerWaalsContact O-N 3.1Å |
| 1080 | R | 80.9 | Confident | 88.4 | Confident | 36 Ų | 36 | 60.3 Ų | 60.3 | 14% | 0.136 | 34% | 0.344 | C | S | . | . | trans | -79.3 | 155.4 | 176.8 | -158.7 | 167.7 | 78.4 | 163 | -6.1 | 110.7 | T57 H100 D1082 G1083 L1084 | T57-R1080 VanDerWaalsContact CG2-CD 3.41Å; T57-R1080 HydrophobicContact CG2-CG 3.65Å; H100-R1080 PolarHBondContact O-NH2 2.97Å; R1080-D1082 WeakPolarHBondContact CB-OD1 3.35Å; R1080-D1082 WeakPolarHBondContact CG-OD1 3.11Å; R1080-D1082 IonicContact CZ-OD1 3.6Å; R1080-D1082 IonicContact CZ-OD2 3.12Å; R1080-D1082 IonicContact NE-OD1 3.33Å; R1080-D1082 PolarHBondContact NE-OD1 3.34Å; R1080-D1082 IonicContact NE-OD2 3.02Å; R1080-D1082 PolarHBondContact NE-OD2 3.17Å; R1080-D1082 IonicContact NH2-OD1 2.59Å; R1080-D1082 IonicContact NH2-OD2 3.05Å; R1080-D1082 PolarHBondContact NH2-OD2 3.48Å; R1080-D1082 PolarHBondContact O-N 3.22Å; R1080-D1082 VanDerWaalsContact O-N 3.11Å; R1080-G1083 PolarHBondContact O-N 3.44Å; R1080-L1084 HydrophobicContact CB-CB 3.97Å; R1080-L1084 PolarHBondContact N-O 3.23Å | ||
| 1081 | T | 77.2 | Confident | 88.4 | Confident | 125 Ų | 125 | 58.2 Ų | 58.2 | 77% | 0.767 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -24.2 | -177 | 46.4 | 0 | 0 | 0 | 0 | 114.7 | G1083 | T1081-G1083 VanDerWaalsContact C-N 3.32Š|
| 1082 | D | 75.7 | Confident | 88.5 | Confident | 25 Ų | 25 | 54.8 Ų | 54.8 | 13% | 0.134 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 5.9 | 177.3 | 71.6 | -27.4 | 0 | 0 | 0 | 114 | R1080 L1084 | R1080-D1082 WeakPolarHBondContact CB-OD1 3.35Å; R1080-D1082 WeakPolarHBondContact CG-OD1 3.11Å; R1080-D1082 IonicContact CZ-OD1 3.6Å; R1080-D1082 IonicContact CZ-OD2 3.12Å; R1080-D1082 IonicContact NE-OD1 3.33Å; R1080-D1082 PolarHBondContact NE-OD1 3.34Å; R1080-D1082 IonicContact NE-OD2 3.02Å; R1080-D1082 PolarHBondContact NE-OD2 3.17Å; R1080-D1082 IonicContact NH2-OD1 2.59Å; R1080-D1082 IonicContact NH2-OD2 3.05Å; R1080-D1082 PolarHBondContact NH2-OD2 3.48Å; R1080-D1082 PolarHBondContact O-N 3.22Å; R1080-D1082 VanDerWaalsContact O-N 3.11Å; D1082-L1084 PolarHBondContact OD1-N 3.02Å |
| 1083 | G | 81.2 | Confident | 88.6 | Confident | 47 Ų | 47 | 57 Ų | 57 | 49% | 0.485 | 33% | 0.33 | S | S | . | . | S | Bend | trans | 90.8 | 3.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | R1080 T1081 V1085 | R1080-G1083 PolarHBondContact O-N 3.44Å; T1081-G1083 VanDerWaalsContact C-N 3.32Å; G1083-V1085 PolarHBondContact O-N 3.33Å |
| 1084 | L | 84.3 | Confident | 88.7 | Confident | 20 Ų | 20 | 60.8 Ų | 60.8 | 11% | 0.105 | 35% | 0.351 | C | S | . | . | trans | -66.1 | 116 | 173.1 | 179.4 | 66.2 | 0 | 0 | 0 | 110.2 | V102 R147 R1080 D1082 Q1086 | V102-L1084 HydrophobicContact CG2-CB 4.03Å; V102-L1084 HydrophobicContact CG2-CD1 3.78Å; V102-L1084 HydrophobicContact CG2-CG 4.41Å; R147-L1084 HydrophobicContact CB-CD1 3.94Å; R147-L1084 HydrophobicContact CG-CD1 4.23Å; R1080-L1084 HydrophobicContact CB-CB 3.97Å; R1080-L1084 PolarHBondContact N-O 3.23Å; D1082-L1084 PolarHBondContact OD1-N 3.02Å; L1084-Q1086 PolarHBondContact O-N 3.42Å | ||
| 1085 | V | 90.6 | Very high | 89 | Confident | 60 Ų | 60 | 57.5 Ų | 57.5 | 36% | 0.364 | 32% | 0.322 | S | S | . | . | B | Isolated β-bridge | trans | -81.2 | 106.8 | 174.1 | -177.9 | 0 | 0 | 0 | 0 | 108.7 | G1083 T1088 | G1083-V1085 PolarHBondContact O-N 3.33Å; V1085-T1088 HydrophobicContact CG1-CG2 4.06Å |
| 1086 | Q | 89.6 | Confident | 89.4 | Confident | 36 Ų | 36 | 54 Ų | 54 | 17% | 0.168 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -72.9 | -48.8 | 176.2 | -60.3 | -159.1 | -82.7 | 0 | 0 | 110.2 | N146 S1077 T1078 L1084 F1119 | N146-Q1086 PolarHBondContact ND2-O 2.83Å; S1077-Q1086 PolarHBondContact O-OE1 3.29Å; T1078-Q1086 WeakPolarHBondContact O-CB 3.24Å; T1078-Q1086 PolarHBondContact O-N 2.86Å; L1084-Q1086 PolarHBondContact O-N 3.42Å; Q1086-F1119 HydrophobicContact CB-CD1 4.16Å; Q1086-F1119 HydrophobicContact CB-CE1 4.18Å |
| 1087 | A | 93.4 | Very high | 89.9 | Confident | 4 Ų | 4 | 57.4 Ų | 57.4 | 3% | 0.033 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -131.6 | 129.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | T1078 I1092 F1115 L1118 F1119 | T1078-A1087 PolarHBondContact O-N 3.3Å; A1087-I1092 HydrophobicContact CB-CD1 4.24Å; A1087-I1092 HydrophobicContact CB-CG1 4Å; A1087-F1115 HydrophobicContact CB-CE2 4.41Å; A1087-L1118 HydrophobicContact CB-CB 4.41Å; A1087-L1118 HydrophobicContact CB-CD1 3.83Å; A1087-F1119 HydrophobicContact CB-CE2 4.46Å; A1087-F1119 HydrophobicContact CB-CZ 4.16Å |
| 1088 | T | 94.2 | Very high | 90.4 | Very high | 50 Ų | 50 | 56.2 Ų | 56.2 | 31% | 0.307 | 31% | 0.31 | S | S | . | . | trans | -75.3 | 159.5 | 176.2 | 70.8 | 0 | 0 | 0 | 0 | 110.8 | V1085 E1090 Q1091 I1092 | V1085-T1088 HydrophobicContact CG1-CG2 4.06Å; T1088-E1090 PolarHBondContact O-N 3.11Å; T1088-Q1091 PolarHBondContact O-N 3.25Å; T1088-Q1091 VanDerWaalsContact OG1-CG 3.29Å; T1088-Q1091 WeakPolarHBondContact OG1-CG 3.45Å; T1088-Q1091 PolarHBondContact OG1-N 3.1Å; T1088-Q1091 VanDerWaalsContact OG1-N 3.14Å; T1088-Q1091 PolarHBondContact OG1-OE1 3.47Å; T1088-I1092 WeakPolarHBondContact O-CG1 3.23Å; T1088-I1092 PolarHBondContact O-N 3.06Å | ||
| 1089 | Q | 94 | Very high | 90.9 | Very high | 134 Ų | 134 | 54.5 Ų | 54.5 | 63% | 0.626 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -60.6 | -33.1 | 175.9 | -175.5 | 57.1 | 51.1 | 0 | 0 | 112.2 | T1093 | Q1089-T1093 PolarHBondContact NE2-OG1 2.97Å; Q1089-T1093 WeakPolarHBondContact O-CB 3.44Å; Q1089-T1093 PolarHBondContact O-N 3.09Å; Q1089-T1093 PolarHBondContact O-OG1 2.77Å |
| 1090 | E | 95.7 | Very high | 91.3 | Very high | 138 Ų | 138 | 50.5 Ų | 50.5 | 65% | 0.645 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -63.8 | -52.5 | 174 | -174.1 | 176.9 | -171.4 | 0 | 0 | 110.8 | T1088 I1092 T1093 D1094 | T1088-E1090 PolarHBondContact O-N 3.11Å; E1090-I1092 VanDerWaalsContact C-N 3.27Å; E1090-I1092 PolarHBondContact O-N 3.01Å; E1090-T1093 PolarHBondContact O-N 2.64Å; E1090-D1094 PolarHBondContact O-N 3.48Å |
| 1091 | Q | 95.9 | Very high | 92 | Very high | 47 Ų | 47 | 55 Ų | 55 | 22% | 0.22 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.1 | -38.2 | 177.4 | -72.7 | 169 | -27.9 | 0 | 0 | 112.8 | N146 T1088 F1095 L1118 | N146-Q1091 PolarHBondContact ND2-OE1 3.34Å; N146-Q1091 PolarHBondContact OD1-NE2 3.5Å; T1088-Q1091 PolarHBondContact O-N 3.25Å; T1088-Q1091 VanDerWaalsContact OG1-CG 3.29Å; T1088-Q1091 WeakPolarHBondContact OG1-CG 3.45Å; T1088-Q1091 PolarHBondContact OG1-N 3.1Å; T1088-Q1091 VanDerWaalsContact OG1-N 3.14Å; T1088-Q1091 PolarHBondContact OG1-OE1 3.47Å; Q1091-F1095 WeakPolarHBondContact O-CB 3.4Å; Q1091-F1095 PolarHBondContact O-N 3.44Å; Q1091-L1118 HydrophobicContact CB-CD1 3.95Å; Q1091-L1118 HydrophobicContact CG-CD1 4.36Å |
| 1092 | I | 95.8 | Very high | 92.7 | Very high | 11 Ų | 11 | 49.6 Ų | 49.6 | 6% | 0.056 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66 | -43.2 | 175.3 | -68.9 | 164.2 | 0 | 0 | 0 | 111 | V1073 T1078 A1087 T1088 E1090 F1095 Q1096 F1115 | V1073-I1092 HydrophobicContact CG1-CD1 4.4Å; V1073-I1092 HydrophobicContact CG1-CG1 4.22Å; V1073-I1092 HydrophobicContact CG1-CG2 3.79Å; T1078-I1092 HydrophobicContact CG2-CD1 3.65Å; A1087-I1092 HydrophobicContact CB-CD1 4.24Å; A1087-I1092 HydrophobicContact CB-CG1 4Å; T1088-I1092 WeakPolarHBondContact O-CG1 3.23Å; T1088-I1092 PolarHBondContact O-N 3.06Å; E1090-I1092 VanDerWaalsContact C-N 3.27Å; E1090-I1092 PolarHBondContact O-N 3.01Å; I1092-F1095 PolarHBondContact O-N 2.9Å; I1092-Q1096 VanDerWaalsContact O-CG 3.26Å; I1092-Q1096 WeakPolarHBondContact O-CG 3.28Å; I1092-Q1096 PolarHBondContact O-N 3.49Å; I1092-F1115 HydrophobicContact CG1-CE2 4.08Å; I1092-F1115 HydrophobicContact CG1-CZ 4.38Å |
| 1093 | T | 96.2 | Very high | 93.5 | Very high | 49 Ų | 49 | 52.8 Ų | 52.8 | 30% | 0.301 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.1 | -44.6 | -179.9 | -53.1 | 0 | 0 | 0 | 0 | 110.3 | Q1089 E1090 F1095 Q1096 D1097 | Q1089-T1093 PolarHBondContact NE2-OG1 2.97Å; Q1089-T1093 WeakPolarHBondContact O-CB 3.44Å; Q1089-T1093 PolarHBondContact O-N 3.09Å; Q1089-T1093 PolarHBondContact O-OG1 2.77Å; E1090-T1093 PolarHBondContact O-N 2.64Å; T1093-F1095 PolarHBondContact O-N 3.23Å; T1093-Q1096 PolarHBondContact O-N 3.32Å; T1093-D1097 WeakPolarHBondContact O-CB 3.31Å; T1093-D1097 PolarHBondContact O-N 2.88Å |
| 1094 | D | 96.1 | Very high | 94 | Very high | 85 Ų | 85 | 58.5 Ų | 58.5 | 46% | 0.455 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.1 | -45.7 | 175.8 | -69.1 | -14.2 | 0 | 0 | 0 | 111.6 | E1090 Q1096 D1097 V1098 | E1090-D1094 PolarHBondContact O-N 3.48Å; D1094-Q1096 PolarHBondContact O-N 3.27Å; D1094-D1097 PolarHBondContact O-N 3.06Å; D1094-V1098 WeakPolarHBondContact O-CB 3.48Å; D1094-V1098 VanDerWaalsContact O-CG2 3.24Å; D1094-V1098 WeakPolarHBondContact O-CG2 3.39Å; D1094-V1098 PolarHBondContact O-N 2.98Å |
| 1095 | F | 96.5 | Very high | 94.4 | Very high | 9 Ų | 9 | 58.3 Ų | 58.3 | 4% | 0.039 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.6 | -48.2 | 175.3 | 170.3 | -106.6 | 0 | 0 | 0 | 111.6 | L1034 L1069 V1073 Q1091 I1092 T1093 D1097 V1098 V1099 A1111 L1112 F1115 | L1034-F1095 HydrophobicContact CD1-CE1 4.3Å; L1034-F1095 HydrophobicContact CD2-CE1 4.13Å; L1034-F1095 HydrophobicContact CD2-CZ 3.77Å; L1069-F1095 HydrophobicContact CD1-CE1 4.09Å; V1073-F1095 HydrophobicContact CG2-CD1 4.35Å; V1073-F1095 HydrophobicContact CG2-CE1 4.21Å; Q1091-F1095 WeakPolarHBondContact O-CB 3.4Å; Q1091-F1095 PolarHBondContact O-N 3.44Å; I1092-F1095 PolarHBondContact O-N 2.9Å; T1093-F1095 PolarHBondContact O-N 3.23Å; F1095-D1097 VanDerWaalsContact C-N 3.35Å; F1095-D1097 PolarHBondContact O-N 2.92Å; F1095-V1098 PolarHBondContact O-N 2.75Å; F1095-V1099 HydrophobicContact CD2-CG2 4.1Å; F1095-V1099 HydrophobicContact CE1-CG2 4.35Å; F1095-V1099 HydrophobicContact CE2-CG2 3.64Å; F1095-V1099 HydrophobicContact CZ-CG2 3.77Å; F1095-V1099 VanDerWaalsContact O-CG2 3.31Å; F1095-V1099 WeakPolarHBondContact O-CG2 3.38Å; F1095-V1099 PolarHBondContact O-N 3.18Å; F1095-A1111 HydrophobicContact CD2-CB 4.01Å; F1095-A1111 HydrophobicContact CE2-CB 4.14Å; F1095-L1112 HydrophobicContact CE2-CD2 3.98Å; F1095-L1112 HydrophobicContact CZ-CD2 3.93Å; F1095-F1115 HydrophobicContact CB-CD2 3.66Å; F1095-F1115 HydrophobicContact CB-CE2 4.1Å; F1095-F1115 HydrophobicContact CB-CG 4.2Å; F1095-F1115 HydrophobicContact CD1-CD1 4.18Å; F1095-F1115 HydrophobicContact CD1-CD2 4.1Å; F1095-F1115 HydrophobicContact CD1-CE1 4.24Å; F1095-F1115 HydrophobicContact CD1-CE2 4.18Å; F1095-F1115 HydrophobicContact CD1-CG 4.11Å; F1095-F1115 HydrophobicContact CD1-CZ 4.25Å; F1095-F1115 HydrophobicContact CD2-CB 3.62Å; F1095-F1115 HydrophobicContact CD2-CD1 4.36Å; F1095-F1115 HydrophobicContact CD2-CD2 4.17Å; F1095-F1115 AromaticContact CD2-CG 3.81Å; F1095-F1115 HydrophobicContact CD2-CG 3.81Å; F1095-F1115 HydrophobicContact CE1-CD1 4.18Å; F1095-F1115 HydrophobicContact CE1-CE1 4.3Å; F1095-F1115 HydrophobicContact CE1-CG 4.48Å; F1095-F1115 HydrophobicContact CE2-CB 3.99Å; F1095-F1115 HydrophobicContact CE2-CD1 4.37Å; F1095-F1115 HydrophobicContact CE2-CG 4.22Å; F1095-F1115 HydrophobicContact CG-CB 4.07Å; F1095-F1115 HydrophobicContact CG-CD1 4.26Å; F1095-F1115 AromaticContact CG-CD2 3.7Å; F1095-F1115 HydrophobicContact CG-CD2 3.7Å; F1095-F1115 HydrophobicContact CG-CE2 4.18Å; F1095-F1115 AromaticContact CG-CG 3.75Å; F1095-F1115 HydrophobicContact CG-CG 3.75Å; F1095-F1115 HydrophobicContact CZ-CD1 4.29Å |
| 1096 | Q | 96.5 | Very high | 94.6 | Very high | 18 Ų | 18 | 58 Ų | 58 | 8% | 0.084 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.5 | -44.6 | 178.4 | -71.7 | 172.7 | 10.4 | 0 | 0 | 111.4 | L1069 I1092 T1093 D1094 V1099 M1100 | L1069-Q1096 HydrophobicContact CD2-CB 4.22Å; L1069-Q1096 HydrophobicContact CD2-CG 4Å; L1069-Q1096 HydrophobicContact CG-CG 4.37Å; I1092-Q1096 VanDerWaalsContact O-CG 3.26Å; I1092-Q1096 WeakPolarHBondContact O-CG 3.28Å; I1092-Q1096 PolarHBondContact O-N 3.49Å; T1093-Q1096 PolarHBondContact O-N 3.32Å; D1094-Q1096 PolarHBondContact O-N 3.27Å; Q1096-V1099 PolarHBondContact O-N 2.91Å; Q1096-M1100 WeakPolarHBondContact O-CB 3.3Å; Q1096-M1100 VanDerWaalsContact O-CG 3.25Å; Q1096-M1100 WeakPolarHBondContact O-CG 3.39Å; Q1096-M1100 PolarHBondContact O-N 3.39Å |
| 1097 | D | 96.1 | Very high | 94.9 | Very high | 81 Ų | 81 | 59 Ų | 59 | 43% | 0.433 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -67.3 | -40.3 | -179.6 | -75.8 | -15.9 | 0 | 0 | 0 | 112.3 | T1093 D1094 F1095 M1100 N1101 | T1093-D1097 WeakPolarHBondContact O-CB 3.31Å; T1093-D1097 PolarHBondContact O-N 2.88Å; D1094-D1097 PolarHBondContact O-N 3.06Å; F1095-D1097 VanDerWaalsContact C-N 3.35Å; F1095-D1097 PolarHBondContact O-N 2.92Å; D1097-M1100 PolarHBondContact O-N 3.05Å; D1097-N1101 VanDerWaalsContact O-CB 3.26Å; D1097-N1101 WeakPolarHBondContact O-CB 3.43Å; D1097-N1101 PolarHBondContact O-N 2.87Å; D1097-N1101 PolarHBondContact O-ND2 2.95Å |
| 1098 | V | 96.1 | Very high | 95 | Very high | 63 Ų | 63 | 58.8 Ų | 58.8 | 38% | 0.382 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.5 | -44.4 | 175.8 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | D1094 F1095 S1102 T1107 A1111 | D1094-V1098 WeakPolarHBondContact O-CB 3.48Å; D1094-V1098 VanDerWaalsContact O-CG2 3.24Å; D1094-V1098 WeakPolarHBondContact O-CG2 3.39Å; D1094-V1098 PolarHBondContact O-N 2.98Å; F1095-V1098 PolarHBondContact O-N 2.75Å; V1098-S1102 WeakPolarHBondContact O-CB 3.39Å; V1098-S1102 PolarHBondContact O-N 2.68Å; V1098-S1102 PolarHBondContact O-OG 3.45Å; V1098-T1107 HydrophobicContact CG1-CG2 3.89Å; V1098-A1111 HydrophobicContact CB-CB 4.31Å; V1098-A1111 HydrophobicContact CG1-CB 3.71Å |
| 1099 | V | 96.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 176.9 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | K1057 F1065 L1069 F1095 Q1096 S1102 I1108 A1111 | K1057-V1099 VanDerWaalsContact CD-O 3.3Å; K1057-V1099 WeakPolarHBondContact CD-O 3.44Å; K1057-V1099 PolarHBondContact NZ-O 3.32Å; F1065-V1099 HydrophobicContact CE1-CG1 4.11Å; L1069-V1099 HydrophobicContact CD2-CB 4Å; L1069-V1099 HydrophobicContact CD2-CG1 3.92Å; F1095-V1099 HydrophobicContact CD2-CG2 4.1Å; F1095-V1099 HydrophobicContact CE1-CG2 4.35Å; F1095-V1099 HydrophobicContact CE2-CG2 3.64Å; F1095-V1099 HydrophobicContact CZ-CG2 3.77Å; F1095-V1099 VanDerWaalsContact O-CG2 3.31Å; F1095-V1099 WeakPolarHBondContact O-CG2 3.38Å; F1095-V1099 PolarHBondContact O-N 3.18Å; Q1096-V1099 PolarHBondContact O-N 2.91Å; V1099-S1102 PolarHBondContact O-OG 3.38Å; V1099-I1108 HydrophobicContact CG2-CG2 4.38Å; V1099-A1111 HydrophobicContact CG2-CB 4.37Å |
| 1100 | M | 95.9 | Very high | 95.1 | Very high | 23 Ų | 23 | 57.3 Ų | 57.3 | 11% | 0.113 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65 | -44.2 | 179.5 | -71.5 | -56.5 | -64.9 | 0 | 0 | 112.8 | K1057 Q1062 F1065 L1066 Q1096 D1097 | K1057-M1100 WeakPolarHBondContact CD-O 3.38Å; K1057-M1100 PolarHBondContact NZ-O 2.9Å; Q1062-M1100 HydrophobicContact CB-CE 3.87Å; Q1062-M1100 HydrophobicContact CG-CE 4.21Å; Q1062-M1100 WeakPolarHBondContact O-CE 3.31Å; F1065-M1100 HydrophobicContact CD1-SD 3.66Å; F1065-M1100 HydrophobicContact CE1-SD 4.14Å; L1066-M1100 HydrophobicContact CB-CE 4.04Å; L1066-M1100 HydrophobicContact CB-SD 3.99Å; L1066-M1100 HydrophobicContact CD1-CG 3.89Å; L1066-M1100 HydrophobicContact CD1-SD 4.17Å; Q1096-M1100 WeakPolarHBondContact O-CB 3.3Å; Q1096-M1100 VanDerWaalsContact O-CG 3.25Å; Q1096-M1100 WeakPolarHBondContact O-CG 3.39Å; Q1096-M1100 PolarHBondContact O-N 3.39Å; D1097-M1100 PolarHBondContact O-N 3.05Å |
| 1101 | N | 94.7 | Very high | 95.1 | Very high | 130 Ų | 130 | 51.2 Ų | 51.2 | 70% | 0.695 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -89.5 | -10.9 | -172.3 | -64.3 | -49.6 | 0 | 0 | 0 | 114.6 | D1097 S1103 | D1097-N1101 VanDerWaalsContact O-CB 3.26Å; D1097-N1101 WeakPolarHBondContact O-CB 3.43Å; D1097-N1101 PolarHBondContact O-N 2.87Å; D1097-N1101 PolarHBondContact O-ND2 2.95Å; N1101-S1103 PolarHBondContact O-N 2.65Å |
| 1102 | S | 92.2 | Very high | 95 | Very high | 11 Ų | 11 | 49.1 Ų | 49.1 | 8% | 0.077 | 27% | 0.266 | C | S | . | . | trans | -58.9 | 132.5 | 178.7 | 53.3 | 0 | 0 | 0 | 0 | 113.1 | K1057 V1098 V1099 I1108 | K1057-S1102 PolarHBondContact NZ-O 3.5Å; K1057-S1102 PolarHBondContact NZ-OG 2.94Å; V1098-S1102 WeakPolarHBondContact O-CB 3.39Å; V1098-S1102 PolarHBondContact O-N 2.68Å; V1098-S1102 PolarHBondContact O-OG 3.45Å; V1099-S1102 PolarHBondContact O-OG 3.38Å; S1102-I1108 WeakPolarHBondContact OG-CD1 3.2Å; S1102-I1108 WeakPolarHBondContact OG-CG1 3.21Å | ||
| 1103 | S | 91.7 | Very high | 94.8 | Very high | 92 Ų | 92 | 50 Ų | 50 | 64% | 0.643 | 27% | 0.271 | S | S | * | . | S | Bend | trans | -94.4 | -3.7 | 172.1 | 56.2 | 0 | 0 | 0 | 0 | 113.3 | Y1054 N1101 | Y1054-S1103 WeakPolarHBondContact CE2-O 3.34Å; Y1054-S1103 PolarHBondContact OH-O 2.89Å; N1101-S1103 PolarHBondContact O-N 2.65Å |
| 1104 | R | 92.2 | Very high | 94.7 | Very high | 167 Ų | 167 | 51 Ų | 51 | 63% | 0.63 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -140.9 | 139.8 | -174.1 | -59.1 | 178.3 | 69.2 | 171.7 | 1.2 | 110.1 | S1106 T1107 | R1104-S1106 VanDerWaalsContact C-N 3.25Å; R1104-S1106 PolarHBondContact O-N 2.94Å; R1104-T1107 PolarHBondContact O-N 3.17Å; R1104-T1107 VanDerWaalsContact O-N 3.15Å |
| 1105 | S | 93.2 | Very high | 94.6 | Very high | 17 Ų | 17 | 47.1 Ų | 47.1 | 12% | 0.119 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -56.6 | -37.6 | 174.1 | 176.8 | 0 | 0 | 0 | 0 | 112.7 | A1050 D1051 T1107 I1108 V1109 | A1050-S1105 VanDerWaalsContact C-OG 3.31Å; A1050-S1105 WeakPolarHBondContact CB-OG 3.43Å; D1051-S1105 PolarHBondContact N-OG 3.08Å; D1051-S1105 WeakPolarHBondContact OD1-CB 3.23Å; D1051-S1105 PolarHBondContact OD1-OG 3.44Å; S1105-T1107 PolarHBondContact O-N 3.06Å; S1105-T1107 VanDerWaalsContact O-N 3.1Å; S1105-I1108 CarbonylContact O-C 3.57Å; S1105-I1108 WeakPolarHBondContact O-CA 3.11Å; S1105-I1108 WeakPolarHBondContact O-CB 3.4Å; S1105-I1108 PolarHBondContact O-N 2.75Å; S1105-V1109 PolarHBondContact O-N 2.99Å |
| 1106 | S | 94.3 | Very high | 94.3 | Very high | 53 Ų | 53 | 46.8 Ų | 46.8 | 37% | 0.371 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -55.1 | -33.8 | 177 | 61.1 | 0 | 0 | 0 | 0 | 113.8 | R1104 V1109 H1110 | R1104-S1106 VanDerWaalsContact C-N 3.25Å; R1104-S1106 PolarHBondContact O-N 2.94Å; S1106-V1109 WeakPolarHBondContact O-CB 3.22Å; S1106-V1109 PolarHBondContact O-N 2.64Å; S1106-H1110 PolarHBondContact O-CD2 3.1Å; S1106-H1110 PolarHBondContact O-N 2.78Å |
| 1107 | T | 95.8 | Very high | 94 | Very high | 56 Ų | 56 | 51.7 Ų | 51.7 | 34% | 0.344 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -71.5 | -35.6 | 175.8 | -54 | 0 | 0 | 0 | 0 | 111.5 | V1098 R1104 S1105 H1110 A1111 | V1098-T1107 HydrophobicContact CG1-CG2 3.89Å; R1104-T1107 PolarHBondContact O-N 3.17Å; R1104-T1107 VanDerWaalsContact O-N 3.15Å; S1105-T1107 PolarHBondContact O-N 3.06Å; S1105-T1107 VanDerWaalsContact O-N 3.1Å; T1107-H1110 PolarHBondContact O-N 3.46Å; T1107-A1111 PolarHBondContact O-N 3.14Å; T1107-A1111 VanDerWaalsContact O-N 3.1Å |
| 1108 | I | 96.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.7 | -37.9 | 173.4 | -58.9 | 179.3 | 0 | 0 | 0 | 110.4 | A1050 L1053 Y1054 V1099 S1102 S1105 H1110 A1111 L1112 | A1050-I1108 HydrophobicContact CB-CB 3.92Å; A1050-I1108 HydrophobicContact CB-CG2 3.76Å; L1053-I1108 HydrophobicContact CB-CG2 4.37Å; L1053-I1108 HydrophobicContact CD1-CG2 4.08Å; Y1054-I1108 HydrophobicContact CD2-CD1 4.37Å; V1099-I1108 HydrophobicContact CG2-CG2 4.38Å; S1102-I1108 WeakPolarHBondContact OG-CD1 3.2Å; S1102-I1108 WeakPolarHBondContact OG-CG1 3.21Å; S1105-I1108 CarbonylContact O-C 3.57Å; S1105-I1108 WeakPolarHBondContact O-CA 3.11Å; S1105-I1108 WeakPolarHBondContact O-CB 3.4Å; S1105-I1108 PolarHBondContact O-N 2.75Å; I1108-H1110 PolarHBondContact O-N 3.36Å; I1108-A1111 WeakPolarHBondContact O-CB 3.4Å; I1108-A1111 PolarHBondContact O-N 2.88Å; I1108-A1111 VanDerWaalsContact O-N 3.16Å; I1108-L1112 HydrophobicContact CG2-CD1 4.12Å; I1108-L1112 HydrophobicContact CG2-CG 4.27Å; I1108-L1112 WeakPolarHBondContact O-CG 3.26Å; I1108-L1112 PolarHBondContact O-N 2.91Å |
| 1109 | V | 95.3 | Very high | 93.2 | Very high | 30 Ų | 30 | 45.6 Ų | 45.6 | 18% | 0.182 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -55.7 | -50.7 | 174.1 | 177.5 | 0 | 0 | 0 | 0 | 111.1 | F1046 P1047 A1050 S1105 S1106 A1111 L1112 D1113 | F1046-V1109 HydrophobicContact CB-CG1 4.13Å; P1047-V1109 HydrophobicContact CB-CG2 4.47Å; A1050-V1109 HydrophobicContact CB-CB 4.38Å; A1050-V1109 HydrophobicContact CB-CG2 3.39Å; S1105-V1109 PolarHBondContact O-N 2.99Å; S1106-V1109 WeakPolarHBondContact O-CB 3.22Å; S1106-V1109 PolarHBondContact O-N 2.64Å; V1109-A1111 VanDerWaalsContact C-N 3.3Å; V1109-A1111 PolarHBondContact O-N 3.25Å; V1109-L1112 PolarHBondContact O-N 3.02Å; V1109-D1113 PolarHBondContact O-N 2.83Å |
| 1110 | H | 94.2 | Very high | 92.4 | Very high | 124 Ų | 124 | 48.5 Ų | 48.5 | 57% | 0.574 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -63.6 | -34.5 | 177.6 | -67.6 | -59.8 | 0 | 0 | 0 | 113 | S1106 T1107 I1108 S1114 | S1106-H1110 PolarHBondContact O-CD2 3.1Å; S1106-H1110 PolarHBondContact O-N 2.78Å; T1107-H1110 PolarHBondContact O-N 3.46Å; I1108-H1110 PolarHBondContact O-N 3.36Å; H1110-S1114 WeakPolarHBondContact O-CB 3.34Å; H1110-S1114 PolarHBondContact O-N 3.43Å; H1110-S1114 PolarHBondContact O-OG 2.72Å |
| 1111 | A | 95.3 | Very high | 92.2 | Very high | 9 Ų | 9 | 49.8 Ų | 49.8 | 7% | 0.074 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.4 | -42.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | F1095 V1098 V1099 T1107 I1108 V1109 S1114 F1115 | F1095-A1111 HydrophobicContact CD2-CB 4.01Å; F1095-A1111 HydrophobicContact CE2-CB 4.14Å; V1098-A1111 HydrophobicContact CB-CB 4.31Å; V1098-A1111 HydrophobicContact CG1-CB 3.71Å; V1099-A1111 HydrophobicContact CG2-CB 4.37Å; T1107-A1111 PolarHBondContact O-N 3.14Å; T1107-A1111 VanDerWaalsContact O-N 3.1Å; I1108-A1111 WeakPolarHBondContact O-CB 3.4Å; I1108-A1111 PolarHBondContact O-N 2.88Å; I1108-A1111 VanDerWaalsContact O-N 3.16Å; V1109-A1111 VanDerWaalsContact C-N 3.3Å; V1109-A1111 PolarHBondContact O-N 3.25Å; A1111-S1114 PolarHBondContact O-N 2.88Å; A1111-F1115 WeakPolarHBondContact O-CB 3.23Å; A1111-F1115 PolarHBondContact O-N 3.11Å |
| 1112 | L | 94.6 | Very high | 92.1 | Very high | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64 | -43.3 | 175.6 | -71.6 | 171.5 | 0 | 0 | 0 | 111.9 | L1034 C1037 F1046 M1049 A1050 L1053 F1095 I1108 V1109 F1115 S1116 | L1034-L1112 HydrophobicContact CD2-CD2 3.8Å; C1037-L1112 HydrophobicContact CB-CD2 4.31Å; F1046-L1112 HydrophobicContact CD2-CB 3.94Å; F1046-L1112 HydrophobicContact CE2-CB 4.39Å; F1046-L1112 HydrophobicContact CG-CB 4.3Å; M1049-L1112 HydrophobicContact CB-CD1 4.42Å; A1050-L1112 HydrophobicContact CB-CD1 4.19Å; L1053-L1112 HydrophobicContact CD1-CD1 4.26Å; L1053-L1112 HydrophobicContact CD1-CD2 4.26Å; F1095-L1112 HydrophobicContact CE2-CD2 3.98Å; F1095-L1112 HydrophobicContact CZ-CD2 3.93Å; I1108-L1112 HydrophobicContact CG2-CD1 4.12Å; I1108-L1112 HydrophobicContact CG2-CG 4.27Å; I1108-L1112 WeakPolarHBondContact O-CG 3.26Å; I1108-L1112 PolarHBondContact O-N 2.91Å; V1109-L1112 PolarHBondContact O-N 3.02Å; L1112-F1115 PolarHBondContact O-N 3.15Å; L1112-S1116 VanDerWaalsContact O-CB 3.28Å; L1112-S1116 WeakPolarHBondContact O-CB 3.37Å; L1112-S1116 PolarHBondContact O-N 3.01Å; L1112-S1116 PolarHBondContact O-OG 2.95Å |
| 1113 | D | 92.2 | Very high | 92.1 | Very high | 31 Ų | 31 | 47.4 Ų | 47.4 | 17% | 0.166 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.1 | -48.9 | 174.5 | 176.3 | 43.9 | 0 | 0 | 0 | 112.2 | F1046 V1109 F1115 S1116 R1117 | F1046-D1113 HydrophobicContact CD2-CB 4.21Å; F1046-D1113 HydrophobicContact CE2-CB 4.32Å; V1109-D1113 PolarHBondContact O-N 2.83Å; D1113-F1115 VanDerWaalsContact C-N 3.32Å; D1113-F1115 PolarHBondContact O-N 3.39Å; D1113-S1116 PolarHBondContact O-N 3.02Å; D1113-S1116 PolarHBondContact O-OG 3.08Å; D1113-S1116 VanDerWaalsContact O-OG 3.1Å; D1113-R1117 VanDerWaalsContact CG-NH2 3.34Å; D1113-R1117 VanDerWaalsContact O-CG 3.29Å; D1113-R1117 WeakPolarHBondContact O-CG 3.47Å; D1113-R1117 PolarHBondContact O-N 3.01Å; D1113-R1117 IonicContact OD1-CZ 3.54Å; D1113-R1117 IonicContact OD1-NE 2.9Å; D1113-R1117 PolarHBondContact OD1-NE 3.41Å; D1113-R1117 IonicContact OD1-NH2 2.97Å; D1113-R1117 PolarHBondContact OD1-NH2 3.05Å; D1113-R1117 IonicContact OD2-CZ 3.58Å; D1113-R1117 IonicContact OD2-NE 3.69Å; D1113-R1117 IonicContact OD2-NH2 2.77Å; D1113-R1117 PolarHBondContact OD2-NH2 2.64Å |
| 1114 | S | 93 | Very high | 92.1 | Very high | 69 Ų | 69 | 44.8 Ų | 44.8 | 48% | 0.483 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.4 | -39.9 | 178.5 | -56.9 | 0 | 0 | 0 | 0 | 112 | H1110 A1111 | H1110-S1114 WeakPolarHBondContact O-CB 3.34Å; H1110-S1114 PolarHBondContact O-N 3.43Å; H1110-S1114 PolarHBondContact O-OG 2.72Å; A1111-S1114 PolarHBondContact O-N 2.88Å |
| 1115 | F | 94.3 | Very high | 92.1 | Very high | 4 Ų | 4 | 37.2 Ų | 37.2 | 2% | 0.018 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -74.9 | -37.9 | -178.5 | -167.7 | -108.8 | 0 | 0 | 0 | 112.6 | V1073 L1076 A1087 I1092 F1095 A1111 L1112 D1113 R1117 L1118 F1119 | V1073-F1115 HydrophobicContact CG1-CZ 4.05Å; V1073-F1115 HydrophobicContact CG2-CE1 4.43Å; V1073-F1115 HydrophobicContact CG2-CZ 4.28Å; L1076-F1115 HydrophobicContact CD1-CE1 3.86Å; A1087-F1115 HydrophobicContact CB-CE2 4.41Å; I1092-F1115 HydrophobicContact CG1-CE2 4.08Å; I1092-F1115 HydrophobicContact CG1-CZ 4.38Å; F1095-F1115 HydrophobicContact CB-CD2 3.66Å; F1095-F1115 HydrophobicContact CB-CE2 4.1Å; F1095-F1115 HydrophobicContact CB-CG 4.2Å; F1095-F1115 HydrophobicContact CD1-CD1 4.18Å; F1095-F1115 HydrophobicContact CD1-CD2 4.1Å; F1095-F1115 HydrophobicContact CD1-CE1 4.24Å; F1095-F1115 HydrophobicContact CD1-CE2 4.18Å; F1095-F1115 HydrophobicContact CD1-CG 4.11Å; F1095-F1115 HydrophobicContact CD1-CZ 4.25Å; F1095-F1115 HydrophobicContact CD2-CB 3.62Å; F1095-F1115 HydrophobicContact CD2-CD1 4.36Å; F1095-F1115 HydrophobicContact CD2-CD2 4.17Å; F1095-F1115 AromaticContact CD2-CG 3.81Å; F1095-F1115 HydrophobicContact CD2-CG 3.81Å; F1095-F1115 HydrophobicContact CE1-CD1 4.18Å; F1095-F1115 HydrophobicContact CE1-CE1 4.3Å; F1095-F1115 HydrophobicContact CE1-CG 4.48Å; F1095-F1115 HydrophobicContact CE2-CB 3.99Å; F1095-F1115 HydrophobicContact CE2-CD1 4.37Å; F1095-F1115 HydrophobicContact CE2-CG 4.22Å; F1095-F1115 HydrophobicContact CG-CB 4.07Å; F1095-F1115 HydrophobicContact CG-CD1 4.26Å; F1095-F1115 AromaticContact CG-CD2 3.7Å; F1095-F1115 HydrophobicContact CG-CD2 3.7Å; F1095-F1115 HydrophobicContact CG-CE2 4.18Å; F1095-F1115 AromaticContact CG-CG 3.75Å; F1095-F1115 HydrophobicContact CG-CG 3.75Å; F1095-F1115 HydrophobicContact CZ-CD1 4.29Å; A1111-F1115 WeakPolarHBondContact O-CB 3.23Å; A1111-F1115 PolarHBondContact O-N 3.11Å; L1112-F1115 PolarHBondContact O-N 3.15Å; D1113-F1115 VanDerWaalsContact C-N 3.32Å; D1113-F1115 PolarHBondContact O-N 3.39Å; F1115-R1117 PolarHBondContact O-N 3.48Å; F1115-L1118 HydrophobicContact CD2-CD1 3.86Å; F1115-L1118 HydrophobicContact CE2-CD1 4.25Å; F1115-L1118 VanDerWaalsContact O-CB 3.28Å; F1115-L1118 WeakPolarHBondContact O-CB 3.29Å; F1115-L1118 PolarHBondContact O-N 2.96Å; F1115-F1119 HydrophobicContact CD1-CE2 4.1Å; F1115-F1119 AromaticContact CE1-CE2 3.68Å; F1115-F1119 HydrophobicContact CE1-CE2 3.68Å; F1115-F1119 HydrophobicContact CE1-CZ 4.27Å; F1115-F1119 HydrophobicContact CE2-CE2 4.39Å; F1115-F1119 AromaticContact CZ-CE2 3.84Å; F1115-F1119 HydrophobicContact CZ-CE2 3.84Å; F1115-F1119 HydrophobicContact CZ-CZ 4.16Å; F1115-F1119 WeakPolarHBondContact O-CD2 3.4Å |
| 1116 | S | 90.9 | Very high | 92 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.007 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.2 | -37 | 179.5 | 71.9 | 0 | 0 | 0 | 0 | 112.2 | C1037 L1112 D1113 L1118 F1119 R1120 | C1037-S1116 WeakPolarHBondContact O-CB 3.27Å; L1112-S1116 VanDerWaalsContact O-CB 3.28Å; L1112-S1116 WeakPolarHBondContact O-CB 3.37Å; L1112-S1116 PolarHBondContact O-N 3.01Å; L1112-S1116 PolarHBondContact O-OG 2.95Å; D1113-S1116 PolarHBondContact O-N 3.02Å; D1113-S1116 PolarHBondContact O-OG 3.08Å; D1113-S1116 VanDerWaalsContact O-OG 3.1Å; S1116-L1118 PolarHBondContact O-N 2.71Å; S1116-L1118 VanDerWaalsContact O-N 3.15Å; S1116-F1119 PolarHBondContact O-N 2.65Å; S1116-R1120 PolarHBondContact O-N 3.44Å |
| 1117 | R | 89.1 | Confident | 91.9 | Very high | 121 Ų | 121 | 37.5 Ų | 37.5 | 46% | 0.457 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -20.5 | 175.6 | -70.2 | 173.9 | -167.2 | -154.7 | 6.4 | 113.5 | M145 D1113 F1115 F1119 R1120 | M145-R1117 HydrophobicContact CB-CB 4.43Å; M145-R1117 VanDerWaalsContact CB-O 3.28Å; M145-R1117 WeakPolarHBondContact CB-O 3.43Å; M145-R1117 PolarHBondContact N-O 3.27Å; M145-R1117 HydrophobicContact SD-CB 4.32Å; D1113-R1117 VanDerWaalsContact CG-NH2 3.34Å; D1113-R1117 VanDerWaalsContact O-CG 3.29Å; D1113-R1117 WeakPolarHBondContact O-CG 3.47Å; D1113-R1117 PolarHBondContact O-N 3.01Å; D1113-R1117 IonicContact OD1-CZ 3.54Å; D1113-R1117 IonicContact OD1-NE 2.9Å; D1113-R1117 PolarHBondContact OD1-NE 3.41Å; D1113-R1117 IonicContact OD1-NH2 2.97Å; D1113-R1117 PolarHBondContact OD1-NH2 3.05Å; D1113-R1117 IonicContact OD2-CZ 3.58Å; D1113-R1117 IonicContact OD2-NE 3.69Å; D1113-R1117 IonicContact OD2-NH2 2.77Å; D1113-R1117 PolarHBondContact OD2-NH2 2.64Å; F1115-R1117 PolarHBondContact O-N 3.48Å; R1117-F1119 PolarHBondContact O-N 3.15Å; R1117-R1120 VanDerWaalsContact O-O 3.14Å |
| 1118 | L | 91.2 | Very high | 91.5 | Very high | 6 Ų | 6 | 36.1 Ų | 36.1 | 3% | 0.031 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -24.4 | 173.7 | -58.6 | 179 | 0 | 0 | 0 | 112.3 | G144 M145 A1087 Q1091 F1115 S1116 | G144-L1118 VanDerWaalsContact CA-O 3.31Å; G144-L1118 WeakPolarHBondContact CA-O 3.42Å; M145-L1118 HydrophobicContact CB-CD2 4.42Å; M145-L1118 HydrophobicContact CE-CD2 3.72Å; A1087-L1118 HydrophobicContact CB-CB 4.41Å; A1087-L1118 HydrophobicContact CB-CD1 3.83Å; Q1091-L1118 HydrophobicContact CB-CD1 3.95Å; Q1091-L1118 HydrophobicContact CG-CD1 4.36Å; F1115-L1118 HydrophobicContact CD2-CD1 3.86Å; F1115-L1118 HydrophobicContact CE2-CD1 4.25Å; F1115-L1118 VanDerWaalsContact O-CB 3.28Å; F1115-L1118 WeakPolarHBondContact O-CB 3.29Å; F1115-L1118 PolarHBondContact O-N 2.96Å; S1116-L1118 PolarHBondContact O-N 2.71Å; S1116-L1118 VanDerWaalsContact O-N 3.15Å |
| 1119 | F | 85.6 | Confident | 91.1 | Very high | 11 Ų | 11 | 39.1 Ų | 39.1 | 5% | 0.048 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | -9.1 | -177.2 | -62.1 | -88.4 | 0 | 0 | 0 | 113.7 | C1038 L1076 T1078 Q1086 A1087 F1115 S1116 R1117 | C1038-F1119 HydrophobicContact CB-CD2 4.05Å; C1038-F1119 HydrophobicContact CB-CG 4.28Å; L1076-F1119 HydrophobicContact CB-CE1 4.03Å; L1076-F1119 HydrophobicContact CB-CZ 4.08Å; L1076-F1119 HydrophobicContact CD1-CE2 4.33Å; L1076-F1119 HydrophobicContact CD1-CZ 4.09Å; T1078-F1119 HydrophobicContact CG2-CZ 4.41Å; Q1086-F1119 HydrophobicContact CB-CD1 4.16Å; Q1086-F1119 HydrophobicContact CB-CE1 4.18Å; A1087-F1119 HydrophobicContact CB-CE2 4.46Å; A1087-F1119 HydrophobicContact CB-CZ 4.16Å; F1115-F1119 HydrophobicContact CD1-CE2 4.1Å; F1115-F1119 AromaticContact CE1-CE2 3.68Å; F1115-F1119 HydrophobicContact CE1-CE2 3.68Å; F1115-F1119 HydrophobicContact CE1-CZ 4.27Å; F1115-F1119 HydrophobicContact CE2-CE2 4.39Å; F1115-F1119 AromaticContact CZ-CE2 3.84Å; F1115-F1119 HydrophobicContact CZ-CE2 3.84Å; F1115-F1119 HydrophobicContact CZ-CZ 4.16Å; F1115-F1119 WeakPolarHBondContact O-CD2 3.4Å; S1116-F1119 PolarHBondContact O-N 2.65Å; R1117-F1119 PolarHBondContact O-N 3.15Å |
| 1120 | R | 77.9 | Confident | 90.8 | Very high | 60 Ų | 60 | 39.9 Ų | 39.9 | 23% | 0.226 | 19% | 0.191 | C | C | . | . | trans | -127.6 | 0 | -169.2 | -64 | 179.8 | 179 | -173.9 | -4.4 | 113.4 | R142 L143 R148 A1036 C1037 C1038 L1041 D1043 S1116 R1117 | R142-R1120 WeakPolarHBondContact CA-OXT 3.26Å; L143-R1120 PolarHBondContact N-OXT 3.46Å; R148-R1120 PolarHBondContact NH1-O 2.9Å; R148-R1120 VanDerWaalsContact NH2-C 3.28Å; R148-R1120 PolarHBondContact NH2-O 3.02Å; R148-R1120 VanDerWaalsContact NH2-O 3.09Å; R148-R1120 PolarHBondContact NH2-OXT 2.97Å; A1036-R1120 PolarHBondContact O-NH2 3.42Å; C1037-R1120 PolarHBondContact O-NH2 2.97Å; C1038-R1120 PolarHBondContact O-NE 3.49Å; L1041-R1120 PolarHBondContact O-NH1 3.42Å; L1041-R1120 PolarHBondContact O-NH2 3.39Å; D1043-R1120 IonicContact OD1-NH1 3.16Å; S1116-R1120 PolarHBondContact O-N 3.44Å; R1117-R1120 VanDerWaalsContact O-O 3.14Å |
Retrieved 1,120 of 1,120 residues in 2116.5 ms
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