| 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 | 29.6 | Very low | 37.8 | Very low | 240 Ų | 240 | 109.9 Ų | 109.9 | 100% | 1.182 | 57% | 0.574 | S | S | * | * | 0 | 109.3 | 0 | -74.2 | 175.3 | 163.5 | 0 | 0 | 107.9 | |||||
| 2 | P | 37.7 | Very low | 38.7 | Very low | 127 Ų | 127 | 105 Ų | 105 | 83% | 0.825 | 57% | 0.57 | S | S | * | * | trans | -83.2 | 135.6 | 171.4 | 23.6 | -11.3 | 0 | 0 | 0 | 109.6 | L4 | P2-L4 PolarHBondContact O-N 3.19Š| ||
| 3 | F | 29 | Very low | 39.8 | Very low | 203 Ų | 203 | 100.2 Ų | 100.2 | 89% | 0.89 | 54% | 0.542 | S | S | * | . | trans | -57.3 | 120.8 | -175 | -150.3 | -105.2 | 0 | 0 | 0 | 111.3 | G5 | F3-G5 VanDerWaalsContact C-N 3.32Å; F3-G5 PolarHBondContact O-N 2.94Å; F3-G5 VanDerWaalsContact O-N 3.11Å | ||
| 4 | L | 35 | Very low | 40.2 | Very low | 163 Ų | 163 | 98.7 Ų | 98.7 | 85% | 0.853 | 53% | 0.533 | S | S | * | . | trans | -77.4 | 85 | 165.5 | -85.1 | 157.1 | 0 | 0 | 0 | 107.9 | P2 Q6 | P2-L4 PolarHBondContact O-N 3.19Å; L4-Q6 PolarHBondContact O-N 2.94Å | ||
| 5 | G | 32.6 | Very low | 41 | Very low | 49 Ų | 49 | 101.2 Ų | 101.2 | 51% | 0.505 | 53% | 0.532 | S | S | . | . | trans | -65.1 | 124.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | F3 D7 | F3-G5 VanDerWaalsContact C-N 3.32Å; F3-G5 PolarHBondContact O-N 2.94Å; F3-G5 VanDerWaalsContact O-N 3.11Å; G5-D7 PolarHBondContact O-N 2.86Å | ||
| 6 | Q | 39.3 | Very low | 41.7 | Very low | 174 Ų | 174 | 99.1 Ų | 99.1 | 81% | 0.813 | 52% | 0.524 | S | S | * | . | trans | -69.5 | 54.9 | 166 | -71.1 | 177.9 | -26.7 | 0 | 0 | 110.5 | L4 W8 | L4-Q6 PolarHBondContact O-N 2.94Å; Q6-W8 PolarHBondContact O-NE1 2.77Å | ||
| 7 | D | 42 | Very low | 41.7 | Very low | 54 Ų | 54 | 102.5 Ų | 102.5 | 29% | 0.289 | 53% | 0.534 | S | S | . | . | trans | -103.3 | 101.3 | -166.4 | -171.7 | 8.2 | 0 | 0 | 0 | 112 | G5 R9 S250 | G5-D7 PolarHBondContact O-N 2.86Å; D7-R9 VanDerWaalsContact C-N 3.29Å; D7-R9 PolarHBondContact O-N 2.76Å; D7-R9 VanDerWaalsContact OD1-CD 3.23Å; D7-R9 WeakPolarHBondContact OD1-CD 3.48Å; D7-R9 WeakPolarHBondContact OD1-CG 3.47Å; D7-R9 IonicContact OD1-CZ 3.15Å; D7-R9 VanDerWaalsContact OD1-CZ 3.28Å; D7-R9 IonicContact OD1-NE 3.48Å; D7-R9 PolarHBondContact OD1-NE 2.86Å; D7-R9 IonicContact OD1-NH2 2.76Å; D7-R9 PolarHBondContact OD1-NH2 3.07Å; D7-R9 VanDerWaalsContact OD1-NH2 3.14Å; D7-R9 IonicContact OD2-CZ 3.32Å; D7-R9 IonicContact OD2-NE 2.77Å; D7-R9 PolarHBondContact OD2-NE 3.06Å; D7-R9 IonicContact OD2-NH2 3.67Å; D7-R9 PolarHBondContact OD2-NH2 3.49Å; D7-S250 WeakPolarHBondContact OD2-CB 3.31Å | ||
| 8 | W | 51.5 | Low | 42.9 | Very low | 79 Ų | 79 | 100 Ų | 100 | 30% | 0.299 | 52% | 0.523 | S | S | . | . | trans | -81.8 | 54.4 | -168.4 | -59.6 | 112.5 | 0 | 0 | 0 | 115.3 | Q6 K169 D213 I215 | Q6-W8 PolarHBondContact O-NE1 2.77Å; W8-K169 VanDerWaalsContact CG-NZ 3.34Å; W8-D213 WeakPolarHBondContact CH2-O 3.45Å; W8-D213 WeakPolarHBondContact CZ2-O 3.47Å; W8-I215 WeakPolarHBondContact CH2-O 3.44Å; W8-I215 HydrophobicContact CZ3-CB 4.16Å; W8-I215 WeakPolarHBondContact CZ3-O 3.47Å | ||
| 9 | R | 44.4 | Very low | 43.4 | Very low | 50 Ų | 50 | 104.1 Ų | 104.1 | 19% | 0.189 | 55% | 0.546 | C | S | . | . | P | Polyproline II helix | trans | -102.9 | 125.3 | -172.8 | -65.1 | -176 | -154.7 | 171.8 | 48 | 111.3 | D7 P11 R246 S250 | D7-R9 VanDerWaalsContact C-N 3.29Å; D7-R9 PolarHBondContact O-N 2.76Å; D7-R9 VanDerWaalsContact OD1-CD 3.23Å; D7-R9 WeakPolarHBondContact OD1-CD 3.48Å; D7-R9 WeakPolarHBondContact OD1-CG 3.47Å; D7-R9 IonicContact OD1-CZ 3.15Å; D7-R9 VanDerWaalsContact OD1-CZ 3.28Å; D7-R9 IonicContact OD1-NE 3.48Å; D7-R9 PolarHBondContact OD1-NE 2.86Å; D7-R9 IonicContact OD1-NH2 2.76Å; D7-R9 PolarHBondContact OD1-NH2 3.07Å; D7-R9 VanDerWaalsContact OD1-NH2 3.14Å; D7-R9 IonicContact OD2-CZ 3.32Å; D7-R9 IonicContact OD2-NE 2.77Å; D7-R9 PolarHBondContact OD2-NE 3.06Å; D7-R9 IonicContact OD2-NH2 3.67Å; D7-R9 PolarHBondContact OD2-NH2 3.49Å; R9-P11 WeakPolarHBondContact O-CD 3.49Å; R9-R246 PolarHBondContact NH1-O 3.35Å; R9-S250 WeakPolarHBondContact CD-OG 3.49Å; R9-S250 VanDerWaalsContact NE-CB 3.31Å; R9-S250 PolarHBondContact NE-OG 3.41Å; R9-S250 PolarHBondContact NH1-OG 3.47Å |
| 10 | S | 34.9 | Very low | 43.7 | Very low | 27 Ų | 27 | 107.4 Ų | 107.4 | 19% | 0.189 | 56% | 0.564 | C | S | . | * | P | Polyproline II helix | trans | -47.8 | 117.9 | -174.1 | -54.9 | 0 | 0 | 0 | 0 | 111.2 | G12 N164 V165 | S10-G12 PolarHBondContact O-N 2.79Å; S10-N164 VanDerWaalsContact OG-CA 3.23Å; S10-N164 WeakPolarHBondContact OG-CA 3.41Å; S10-V165 PolarHBondContact OG-N 3Å |
| 11 | P | 39.5 | Very low | 44.7 | Very low | 43 Ų | 43 | 103.7 Ų | 103.7 | 28% | 0.279 | 55% | 0.552 | S | S | . | * | P | Polyproline II helix | trans | -57.9 | 125.4 | 157.9 | 24.1 | -28 | 0 | 0 | 0 | 106.3 | R9 Q162 Q163 | R9-P11 WeakPolarHBondContact O-CD 3.49Å; P11-Q162 WeakPolarHBondContact CD-O 3.49Å; P11-Q162 WeakPolarHBondContact CG-O 3.48Å; P11-Q163 HydrophobicContact CG-CG 4.31Å |
| 12 | G | 49.4 | Very low | 45.7 | Very low | 51 Ų | 51 | 100.4 Ų | 100.4 | 53% | 0.526 | 53% | 0.526 | S | S | . | . | trans | -60.1 | 179.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S10 Q163 | S10-G12 PolarHBondContact O-N 2.79Å; G12-Q163 VanDerWaalsContact O-CD 3.23Å; G12-Q163 PolarHBondContact O-NE2 3.35Å | ||
| 13 | Q | 52.3 | Low | 46.1 | Very low | 43 Ų | 43 | 100 Ų | 100 | 20% | 0.201 | 51% | 0.512 | C | S | . | . | trans | -56.4 | 140.3 | 179.1 | -63.2 | 178.3 | -19.7 | 0 | 0 | 111.6 | W15 | Q13-W15 PolarHBondContact O-N 3.04Š| ||
| 14 | N | 45.5 | Very low | 47.3 | Very low | 79 Ų | 79 | 92.9 Ų | 92.9 | 42% | 0.422 | 48% | 0.48 | S | S | . | . | trans | -73.3 | 124.1 | 177.5 | -75.6 | -31.9 | 0 | 0 | 0 | 111.2 | R25 Q163 | N14-R25 HydrophobicContact CB-CB 4.14Å; N14-R25 PolarHBondContact O-N 2.96Å; N14-Q163 PolarHBondContact ND2-NE2 3.26Å; N14-Q163 VanDerWaalsContact ND2-NE2 3.11Å; N14-Q163 PolarHBondContact OD1-NE2 3.16Å | ||
| 15 | W | 52.6 | Low | 47.9 | Very low | 136 Ų | 136 | 90.8 Ų | 90.8 | 52% | 0.515 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 136.7 | 175.2 | -64.1 | 85.2 | 0 | 0 | 0 | 110.2 | Q13 W22 K24 | Q13-W15 PolarHBondContact O-N 3.04Å; W15-W22 HydrophobicContact CB-CE3 3.96Å; W15-W22 HydrophobicContact CE3-CB 4.09Å; W15-K24 HydrophobicContact CD2-CG 3.95Å; W15-K24 HydrophobicContact CE3-CG 3.74Å; W15-K24 HydrophobicContact CH2-CD 4.1Å; W15-K24 HydrophobicContact CH2-CG 3.62Å; W15-K24 HydrophobicContact CZ2-CD 4.14Å; W15-K24 HydrophobicContact CZ2-CG 3.8Å; W15-K24 HydrophobicContact CZ3-CG 3.57Å |
| 16 | V | 51.4 | Low | 48.8 | Very low | 68 Ų | 68 | 89.9 Ų | 89.9 | 41% | 0.412 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 133.7 | 176 | -177.9 | 0 | 0 | 0 | 0 | 107.9 | T18 K23 R25 | V16-T18 PolarHBondContact O-N 3.14Å; V16-K23 PolarHBondContact N-O 2.75Å; V16-K23 PolarHBondContact O-N 2.66Å; V16-R25 HydrophobicContact CG2-CB 4.11Å; V16-R25 HydrophobicContact CG2-CG 4.25Å |
| 17 | K | 41.5 | Very low | 49.1 | Very low | 157 Ų | 157 | 84.6 Ų | 84.6 | 68% | 0.683 | 43% | 0.432 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 120.7 | 173.4 | -168.5 | 179.6 | 178.4 | -173.5 | 0 | 108.5 | W22 | K17-W22 HydrophobicContact CB-CD2 4.29Å; K17-W22 HydrophobicContact CB-CE3 4.02Å; K17-W22 HydrophobicContact CB-CH2 4.1Å; K17-W22 HydrophobicContact CB-CZ2 4.33Å; K17-W22 HydrophobicContact CB-CZ3 3.93Å; K17-W22 HydrophobicContact CD-CZ2 4.29Å; K17-W22 HydrophobicContact CG-CZ2 4.45Å |
| 18 | T | 64.9 | Low | 49.1 | Very low | 57 Ų | 57 | 88.9 Ų | 88.9 | 35% | 0.35 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 166.9 | 173.1 | 53.8 | 0 | 0 | 0 | 0 | 109.5 | V16 D20 G21 K23 | V16-T18 PolarHBondContact O-N 3.14Å; T18-D20 PolarHBondContact O-N 3.41Å; T18-G21 CarbonylContact C-O 3.5Å; T18-G21 WeakPolarHBondContact CA-O 3.37Å; T18-G21 PolarHBondContact N-O 3.42Å; T18-G21 PolarHBondContact O-N 3.3Å; T18-G21 PolarHBondContact OG1-O 3.31Å; T18-K23 HydrophobicContact CG2-CB 4.16Å |
| 19 | D | 50.8 | Low | 48.5 | Very low | 177 Ų | 177 | 91.1 Ų | 91.1 | 95% | 0.947 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -27.9 | -179.6 | -59.8 | -35.9 | 0 | 0 | 0 | 112.5 | ||
| 20 | D | 50.5 | Low | 48.1 | Very low | 170 Ų | 170 | 96.6 Ų | 96.6 | 91% | 0.909 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | 8.9 | 175.2 | -62.6 | -39.6 | 0 | 0 | 0 | 114.2 | T18 | T18-D20 PolarHBondContact O-N 3.41Š|
| 21 | G | 63.8 | Low | 48 | Very low | 30 Ų | 30 | 102.5 Ų | 102.5 | 31% | 0.309 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 114 | -156.2 | 180 | 0 | 0 | 0 | 0 | 0 | 114.4 | T18 | T18-G21 CarbonylContact C-O 3.5Å; T18-G21 WeakPolarHBondContact CA-O 3.37Å; T18-G21 PolarHBondContact N-O 3.42Å; T18-G21 PolarHBondContact O-N 3.3Å; T18-G21 PolarHBondContact OG1-O 3.31Å |
| 22 | W | 50.4 | Low | 47.5 | Very low | 171 Ų | 171 | 107.3 Ų | 107.3 | 65% | 0.648 | 55% | 0.551 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -88.3 | 119.3 | -176.7 | -68.9 | 93.7 | 0 | 0 | 0 | 111.7 | W15 K17 | W15-W22 HydrophobicContact CB-CE3 3.96Å; W15-W22 HydrophobicContact CE3-CB 4.09Å; K17-W22 HydrophobicContact CB-CD2 4.29Å; K17-W22 HydrophobicContact CB-CE3 4.02Å; K17-W22 HydrophobicContact CB-CH2 4.1Å; K17-W22 HydrophobicContact CB-CZ2 4.33Å; K17-W22 HydrophobicContact CB-CZ3 3.93Å; K17-W22 HydrophobicContact CD-CZ2 4.29Å; K17-W22 HydrophobicContact CG-CZ2 4.45Å |
| 23 | K | 47.1 | Very low | 46.6 | Very low | 120 Ų | 120 | 111.8 Ų | 111.8 | 52% | 0.522 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.9 | 139.6 | 178.7 | -165.9 | 176 | 179.2 | -177.5 | 0 | 110.7 | V16 T18 | V16-K23 PolarHBondContact N-O 2.75Å; V16-K23 PolarHBondContact O-N 2.66Å; T18-K23 HydrophobicContact CG2-CB 4.16Å |
| 24 | K | 54.2 | Low | 45.3 | Very low | 52 Ų | 52 | 116.9 Ų | 116.9 | 23% | 0.226 | 60% | 0.596 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -68.6 | 134 | 173.9 | -65.4 | -174.7 | -175.6 | -173.2 | 0 | 109.9 | W15 T26 | W15-K24 HydrophobicContact CD2-CG 3.95Å; W15-K24 HydrophobicContact CE3-CG 3.74Å; W15-K24 HydrophobicContact CH2-CD 4.1Å; W15-K24 HydrophobicContact CH2-CG 3.62Å; W15-K24 HydrophobicContact CZ2-CD 4.14Å; W15-K24 HydrophobicContact CZ2-CG 3.8Å; W15-K24 HydrophobicContact CZ3-CG 3.57Å; K24-T26 PolarHBondContact O-N 3.33Å; K24-T26 VanDerWaalsContact O-N 3.15Å |
| 25 | R | 48.5 | Very low | 44.3 | Very low | 120 Ų | 120 | 118 Ų | 118 | 45% | 0.453 | 61% | 0.61 | S | S | . | * | trans | -67.1 | 111.3 | 177.3 | -162.8 | -179.6 | -171.1 | -173.4 | 6.3 | 109.8 | N14 V16 | N14-R25 HydrophobicContact CB-CB 4.14Å; N14-R25 PolarHBondContact O-N 2.96Å; V16-R25 HydrophobicContact CG2-CB 4.11Å; V16-R25 HydrophobicContact CG2-CG 4.25Å | ||
| 26 | T | 49.5 | Very low | 43.1 | Very low | 29 Ų | 29 | 118.4 Ų | 118.4 | 18% | 0.178 | 63% | 0.628 | C | S | . | * | trans | -90 | 150.4 | 168.4 | 42.1 | 0 | 0 | 0 | 0 | 109.4 | K24 D28 | K24-T26 PolarHBondContact O-N 3.33Å; K24-T26 VanDerWaalsContact O-N 3.15Å; T26-D28 PolarHBondContact O-N 2.72Å | ||
| 27 | A | 46.7 | Very low | 41.7 | Very low | 64 Ų | 64 | 119 Ų | 119 | 53% | 0.529 | 65% | 0.647 | S | S | . | * | G | 310 helix | trans | -66.1 | -4.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | D29 | A27-D29 VanDerWaalsContact C-N 3.32Å; A27-D29 PolarHBondContact O-N 2.94Å |
| 28 | D | 41 | Very low | 41 | Very low | 144 Ų | 144 | 116 Ų | 116 | 77% | 0.77 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -75.2 | -9.3 | -174.8 | -78 | -21.8 | 0 | 0 | 0 | 115.2 | T26 K30 | T26-D28 PolarHBondContact O-N 2.72Å; D28-K30 VanDerWaalsContact C-N 3.31Å; D28-K30 PolarHBondContact O-N 3.18Å |
| 29 | D | 39.4 | Very low | 39 | Very low | 125 Ų | 125 | 123.3 Ų | 123.3 | 67% | 0.668 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -86.6 | 12.6 | -177 | -66.2 | -26.2 | 0 | 0 | 0 | 114.6 | A27 | A27-D29 VanDerWaalsContact C-N 3.32Å; A27-D29 PolarHBondContact O-N 2.94Å |
| 30 | K | 36 | Very low | 37.8 | Very low | 165 Ų | 165 | 120.1 Ų | 120.1 | 72% | 0.717 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -106.8 | 5.7 | -177.9 | -85 | -168.3 | -179.9 | -178.6 | 0 | 115.9 | D28 N32 | D28-K30 VanDerWaalsContact C-N 3.31Å; D28-K30 PolarHBondContact O-N 3.18Å; K30-N32 PolarHBondContact O-N 3.48Å |
| 31 | N | 33.9 | Very low | 36.6 | Very low | 152 Ų | 152 | 121 Ų | 121 | 81% | 0.813 | 66% | 0.659 | S | S | * | * | trans | -97.7 | 88 | 172.9 | -90.1 | -0.2 | 0 | 0 | 0 | 111 | ||||
| 32 | N | 28.2 | Very low | 34.6 | Very low | 143 Ų | 143 | 125.3 Ų | 125.3 | 77% | 0.765 | 68% | 0.676 | S | S | * | * | trans | -145.8 | 101.3 | 150.1 | -95.3 | -23.4 | 0 | 0 | 0 | 109.8 | K30 | K30-N32 PolarHBondContact O-N 3.48Š| ||
| 33 | N | 29.6 | Very low | 33.2 | Very low | 146 Ų | 146 | 123.3 Ų | 123.3 | 78% | 0.781 | 68% | 0.677 | S | S | * | * | trans | 48.6 | 123.6 | 145.9 | -52.8 | -19.6 | 0 | 0 | 0 | 119.9 | ||||
| 34 | V | 26 | Very low | 32.1 | Very low | 149 Ų | 149 | 126.7 Ų | 126.7 | 90% | 0.903 | 69% | 0.692 | S | S | * | * | -161.1 | 140.5 | 104.5 | 173 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 35 | S | 25.5 | Very low | 31 | Very low | 102 Ų | 102 | 129.5 Ų | 129.5 | 71% | 0.713 | 72% | 0.716 | S | S | * | * | trans | -84 | 146.3 | -168.5 | 41.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 36 | V | 26.7 | Very low | 29.9 | Very low | 146 Ų | 146 | 132.2 Ų | 132.2 | 89% | 0.885 | 73% | 0.734 | S | S | * | * | trans | 20.3 | 129.8 | 142 | -171.3 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 37 | G | 22.3 | Very low | 28.8 | Very low | 80 Ų | 80 | 137 Ų | 137 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | -155.2 | 108.6 | 156.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 38 | S | 26.8 | Very low | 27.8 | Very low | 94 Ų | 94 | 141.7 Ų | 141.7 | 66% | 0.657 | 78% | 0.776 | S | S | * | * | trans | -77.1 | 149.3 | 174.7 | 166.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 39 | F | 23.3 | Very low | 27.3 | Very low | 210 Ų | 210 | 142.7 Ų | 142.7 | 92% | 0.921 | 78% | 0.781 | S | S | * | * | trans | -163.3 | 135.1 | 142.8 | -109.9 | -77.8 | 0 | 0 | 0 | 112.7 | ||||
| 40 | C | 24.6 | Very low | 27.1 | Very low | 110 Ų | 110 | 145 Ų | 145 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | trans | -98.2 | 166.2 | 173.3 | -63.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 41 | K | 24.8 | Very low | 26.9 | Very low | 188 Ų | 188 | 145.9 Ų | 145.9 | 82% | 0.817 | 79% | 0.792 | S | S | * | * | trans | 144.1 | 148.6 | 149.2 | -82.9 | 178.3 | 177 | -171.8 | 0 | 110.8 | ||||
| 42 | D | 22.7 | Very low | 26.9 | Very low | 122 Ų | 122 | 144 Ų | 144 | 65% | 0.652 | 78% | 0.782 | S | S | * | * | cis | -167.3 | 146.4 | 0.8 | -110 | -39.4 | 0 | 0 | 0 | 110.9 | ||||
| 43 | N | 21.7 | Very low | 27.4 | Very low | 128 Ų | 128 | 144 Ų | 144 | 68% | 0.684 | 78% | 0.781 | S | S | * | * | trans | 30.8 | 120.9 | 141 | -66.4 | -49.4 | 0 | 0 | 0 | 128.4 | ||||
| 44 | K | 22.4 | Very low | 27.6 | Very low | 191 Ų | 191 | 144.3 Ų | 144.3 | 83% | 0.83 | 78% | 0.782 | S | S | * | * | 57 | 168.4 | 125 | -77.1 | -173.4 | -179.5 | -176.1 | 0 | 123.6 | |||||
| 45 | P | 31 | Very low | 28.1 | Very low | 112 Ų | 112 | 143.1 Ų | 143.1 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | cis | -141.1 | 170.9 | -16.6 | 31.8 | -7.8 | 0 | 0 | 0 | 118.9 | ||||
| 46 | E | 25.8 | Very low | 28.6 | Very low | 177 Ų | 177 | 140.4 Ų | 140.4 | 83% | 0.827 | 75% | 0.751 | S | S | * | * | trans | 34.2 | 136.5 | 145.2 | -64.8 | 178.2 | 179.3 | 0 | 0 | 127.2 | ||||
| 47 | C | 25.7 | Very low | 28.9 | Very low | 130 Ų | 130 | 139.6 Ų | 139.6 | 88% | 0.878 | 74% | 0.741 | S | S | * | * | -160.2 | 137.3 | 125.5 | -163.4 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 48 | F | 26.6 | Very low | 29.6 | Very low | 162 Ų | 162 | 139.8 Ų | 139.8 | 71% | 0.711 | 73% | 0.73 | S | S | * | * | trans | -88.7 | 140.7 | -179.9 | -100.3 | -99.2 | 0 | 0 | 0 | 111.9 | ||||
| 49 | N | 31.1 | Very low | 30 | Very low | 165 Ų | 165 | 143.4 Ų | 143.4 | 88% | 0.882 | 73% | 0.73 | S | S | * | * | trans | -141.8 | 123.6 | 154.9 | -116.2 | -18.2 | 0 | 0 | 0 | 111.2 | ||||
| 50 | K | 34.8 | Very low | 30.4 | Very low | 172 Ų | 172 | 137.5 Ų | 137.5 | 75% | 0.748 | 71% | 0.705 | S | S | * | * | trans | -98 | 79 | -169.6 | -76.5 | 176.1 | 173 | 173.2 | 0 | 110.9 | ||||
| 51 | E | 31.8 | Very low | 30.9 | Very low | 185 Ų | 185 | 140 Ų | 140 | 86% | 0.864 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -137.2 | 3.8 | 166.4 | -67 | -170.2 | 167.1 | 0 | 0 | 113.8 | ||
| 52 | N | 34.6 | Very low | 31.5 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 60% | 0.604 | 69% | 0.691 | S | S | * | * | trans | -106.6 | 15.5 | -178.4 | -80 | -47.5 | 0 | 0 | 0 | 115.1 | L54 L55 S56 | N52-L54 PolarHBondContact O-N 3.15Å; N52-L55 PolarHBondContact O-N 3.43Å; N52-S56 PolarHBondContact O-N 3.2Å | ||
| 53 | L | 36.9 | Very low | 32.2 | Very low | 141 Ų | 141 | 129.8 Ų | 129.8 | 74% | 0.738 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -19.8 | -170.7 | -145.9 | 81.5 | 0 | 0 | 0 | 114.1 | ||
| 54 | L | 34.3 | Very low | 32.9 | Very low | 154 Ų | 154 | 130.3 Ų | 130.3 | 81% | 0.806 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | -18.2 | 179.8 | -94.1 | 158.5 | 0 | 0 | 0 | 114.5 | N52 | N52-L54 PolarHBondContact O-N 3.15Š|
| 55 | L | 37.7 | Very low | 33.5 | Very low | 123 Ų | 123 | 129.1 Ų | 129.1 | 64% | 0.644 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -19 | 170.7 | -75.4 | 160.5 | 0 | 0 | 0 | 112.2 | N52 | N52-L55 PolarHBondContact O-N 3.43Š|
| 56 | S | 35.2 | Very low | 34.1 | Very low | 45 Ų | 45 | 133.2 Ų | 133.2 | 32% | 0.315 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -69.5 | -31.9 | 178.2 | 154.7 | 0 | 0 | 0 | 0 | 113.6 | N52 E60 | N52-S56 PolarHBondContact O-N 3.2Å; S56-E60 VanDerWaalsContact O-CB 3.28Å; S56-E60 WeakPolarHBondContact O-CB 3.34Å; S56-E60 WeakPolarHBondContact O-CG 3.45Å; S56-E60 PolarHBondContact O-N 3.43Å |
| 57 | L | 33.9 | Very low | 34.5 | Very low | 130 Ų | 130 | 132.7 Ų | 132.7 | 68% | 0.681 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -73.7 | -33.2 | -175.8 | -85.1 | 149.7 | 0 | 0 | 0 | 113.9 | ||
| 58 | S | 35 | Very low | 34.9 | Very low | 84 Ų | 84 | 134.4 Ų | 134.4 | 59% | 0.587 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -84.5 | -25.5 | 177.3 | 60.6 | 0 | 0 | 0 | 0 | 112.9 | S62 | S58-S62 PolarHBondContact O-OG 2.9Å |
| 59 | Y | 35.3 | Very low | 35.4 | Very low | 169 Ų | 169 | 131.5 Ų | 131.5 | 66% | 0.663 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -81.7 | -29.5 | 175 | -163.7 | -102.3 | 0 | 0 | 0 | 112.9 | M61 S62 A63 | Y59-M61 PolarHBondContact O-N 3.41Å; Y59-S62 PolarHBondContact O-N 2.94Å; Y59-A63 HydrophobicContact CD1-CB 4.08Å; Y59-A63 HydrophobicContact CE1-CB 3.98Å; Y59-A63 VanDerWaalsContact O-CB 3.28Å; Y59-A63 WeakPolarHBondContact O-CB 3.49Å; Y59-A63 PolarHBondContact O-N 2.93Å |
| 60 | E | 31.8 | Very low | 36 | Very low | 87 Ų | 87 | 130.1 Ų | 130.1 | 41% | 0.407 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -69.4 | -31.9 | -177.6 | -90.3 | -163.8 | -163.3 | 0 | 0 | 114.9 | S56 S62 K64 | S56-E60 VanDerWaalsContact O-CB 3.28Å; S56-E60 WeakPolarHBondContact O-CB 3.34Å; S56-E60 WeakPolarHBondContact O-CG 3.45Å; S56-E60 PolarHBondContact O-N 3.43Å; E60-S62 VanDerWaalsContact C-N 3.28Å; E60-S62 PolarHBondContact O-N 3.3Å; E60-K64 WeakPolarHBondContact O-CB 3.37Å; E60-K64 VanDerWaalsContact O-CG 3.27Å; E60-K64 WeakPolarHBondContact O-CG 3.28Å; E60-K64 PolarHBondContact O-N 3.43Å; E60-K64 VanDerWaalsContact O-N 3.1Å; E60-K64 IonicContact OE2-NZ 3.51Å; E60-K64 PolarHBondContact OE2-NZ 3.3Å |
| 61 | M | 35.8 | Very low | 36 | Very low | 162 Ų | 162 | 129.3 Ų | 129.3 | 80% | 0.798 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -69.7 | -31.4 | 175.5 | -135.6 | 75.3 | 176.2 | 0 | 0 | 111.4 | Y59 | Y59-M61 PolarHBondContact O-N 3.41Å |
| 62 | S | 37.6 | Very low | 36.1 | Very low | 67 Ų | 67 | 125 Ų | 125 | 47% | 0.469 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -83.2 | -35.8 | -178.6 | -48.9 | 0 | 0 | 0 | 0 | 112.4 | S58 Y59 E60 R66 | S58-S62 PolarHBondContact O-OG 2.9Å; Y59-S62 PolarHBondContact O-N 2.94Å; E60-S62 VanDerWaalsContact C-N 3.28Å; E60-S62 PolarHBondContact O-N 3.3Å; S62-R66 PolarHBondContact O-N 2.94Å |
| 63 | A | 37.5 | Very low | 36.1 | Very low | 29 Ų | 29 | 126.2 Ų | 126.2 | 24% | 0.24 | 63% | 0.625 | C | S | . | * | H | α-helix | trans | -79.3 | -30.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y59 K65 R66 K67 | Y59-A63 HydrophobicContact CD1-CB 4.08Å; Y59-A63 HydrophobicContact CE1-CB 3.98Å; Y59-A63 VanDerWaalsContact O-CB 3.28Å; Y59-A63 WeakPolarHBondContact O-CB 3.49Å; Y59-A63 PolarHBondContact O-N 2.93Å; A63-K65 VanDerWaalsContact C-N 3.26Å; A63-K65 PolarHBondContact O-N 3.15Å; A63-R66 PolarHBondContact O-N 2.81Å; A63-K67 WeakPolarHBondContact O-CB 3.5Å; A63-K67 PolarHBondContact O-N 3.47Å |
| 64 | K | 35.1 | Very low | 35.9 | Very low | 139 Ų | 139 | 126.8 Ų | 126.8 | 60% | 0.604 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -67.7 | -25.1 | 173.8 | -74.4 | 173.1 | -172 | 161.4 | 0 | 112.7 | E60 | E60-K64 WeakPolarHBondContact O-CB 3.37Å; E60-K64 VanDerWaalsContact O-CG 3.27Å; E60-K64 WeakPolarHBondContact O-CG 3.28Å; E60-K64 PolarHBondContact O-N 3.43Å; E60-K64 VanDerWaalsContact O-N 3.1Å; E60-K64 IonicContact OE2-NZ 3.51Å; E60-K64 PolarHBondContact OE2-NZ 3.3Å |
| 65 | K | 36.5 | Very low | 35.8 | Very low | 166 Ų | 166 | 122.4 Ų | 122.4 | 72% | 0.722 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -75 | -38.2 | 170.6 | -155.9 | 169.7 | -176.2 | 175.8 | 0 | 112 | A63 | A63-K65 VanDerWaalsContact C-N 3.26Å; A63-K65 PolarHBondContact O-N 3.15Å |
| 66 | R | 43.2 | Very low | 35.8 | Very low | 198 Ų | 198 | 124.8 Ų | 124.8 | 75% | 0.747 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -85.1 | -23.8 | -179.1 | -68.9 | -176 | -172.7 | 166.6 | 3.1 | 115.3 | S62 A63 L70 | S62-R66 PolarHBondContact O-N 2.94Å; A63-R66 PolarHBondContact O-N 2.81Å; R66-L70 PolarHBondContact O-N 3.27Å |
| 67 | K | 34.8 | Very low | 36.1 | Very low | 165 Ų | 165 | 128.1 Ų | 128.1 | 72% | 0.717 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -80.8 | -23.1 | 174.8 | -112.2 | 177.7 | 178.4 | 176.5 | 0 | 113.7 | A63 D69 M71 | A63-K67 WeakPolarHBondContact O-CB 3.5Å; A63-K67 PolarHBondContact O-N 3.47Å; K67-D69 VanDerWaalsContact C-N 3.28Å; K67-M71 PolarHBondContact O-N 3.33Å |
| 68 | K | 34.1 | Very low | 36.5 | Very low | 167 Ų | 167 | 125.1 Ų | 125.1 | 73% | 0.726 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -67.8 | -32.4 | 168.8 | -170.6 | 171 | -179.3 | 176.6 | 0 | 111.3 | N72 | K68-N72 WeakPolarHBondContact O-CB 3.48Å; K68-N72 PolarHBondContact O-N 3.45Å |
| 69 | D | 37.2 | Very low | 37 | Very low | 101 Ų | 101 | 130.4 Ų | 130.4 | 54% | 0.54 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -80.2 | -32.5 | 178.9 | -64 | -25.3 | 0 | 0 | 0 | 112.7 | K67 N72 | K67-D69 VanDerWaalsContact C-N 3.28Å; D69-N72 PolarHBondContact O-N 3.36Å |
| 70 | L | 43 | Very low | 37.8 | Very low | 136 Ų | 136 | 124 Ų | 124 | 71% | 0.712 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -76.4 | -28.6 | 179.7 | -140.6 | 78.5 | 0 | 0 | 0 | 113.8 | R66 N72 | R66-L70 PolarHBondContact O-N 3.27Å; L70-N72 VanDerWaalsContact C-N 3.34Å |
| 71 | M | 34.4 | Very low | 38.8 | Very low | 154 Ų | 154 | 126.1 Ų | 126.1 | 76% | 0.759 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -86.6 | -3 | 172 | -90.7 | -66.1 | -177.2 | 0 | 0 | 113.7 | K67 | K67-M71 PolarHBondContact O-N 3.33Š|
| 72 | N | 34.9 | Very low | 40.3 | Very low | 96 Ų | 96 | 125.9 Ų | 125.9 | 51% | 0.513 | 60% | 0.601 | S | S | . | * | S | Bend | trans | -86.8 | -10.2 | 175 | -159.4 | 49.4 | 0 | 0 | 0 | 113.3 | K68 D69 L70 N74 S75 | K68-N72 WeakPolarHBondContact O-CB 3.48Å; K68-N72 PolarHBondContact O-N 3.45Å; D69-N72 PolarHBondContact O-N 3.36Å; L70-N72 VanDerWaalsContact C-N 3.34Å; N72-N74 PolarHBondContact O-N 3.3Å; N72-S75 WeakPolarHBondContact O-CB 3.34Å; N72-S75 PolarHBondContact O-N 3.46Å; N72-S75 VanDerWaalsContact O-N 3.13Å; N72-S75 PolarHBondContact O-OG 3.48Å; N72-S75 VanDerWaalsContact OD1-CB 3.26Å; N72-S75 WeakPolarHBondContact OD1-CB 3.29Å; N72-S75 PolarHBondContact OD1-OG 2.83Å |
| 73 | N | 34.6 | Very low | 42.1 | Very low | 137 Ų | 137 | 125 Ų | 125 | 73% | 0.733 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -17.2 | 174.5 | -75.6 | -10.1 | 0 | 0 | 0 | 113.3 | ||
| 74 | N | 32.6 | Very low | 44.2 | Very low | 154 Ų | 154 | 130.8 Ų | 130.8 | 82% | 0.824 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | 11.6 | 168.6 | -85.8 | -9.1 | 0 | 0 | 0 | 113.1 | N72 K76 | N72-N74 PolarHBondContact O-N 3.3Å; N74-K76 PolarHBondContact O-N 3.38Å; N74-K76 VanDerWaalsContact O-N 3.12Å |
| 75 | S | 31.1 | Very low | 46.6 | Very low | 61 Ų | 61 | 127.6 Ų | 127.6 | 43% | 0.427 | 59% | 0.594 | S | S | . | * | S | Bend | trans | -72.4 | 108.3 | 164.8 | 71.1 | 0 | 0 | 0 | 0 | 107.8 | N72 I77 | N72-S75 WeakPolarHBondContact O-CB 3.34Å; N72-S75 PolarHBondContact O-N 3.46Å; N72-S75 VanDerWaalsContact O-N 3.13Å; N72-S75 PolarHBondContact O-OG 3.48Å; N72-S75 VanDerWaalsContact OD1-CB 3.26Å; N72-S75 WeakPolarHBondContact OD1-CB 3.29Å; N72-S75 PolarHBondContact OD1-OG 2.83Å; S75-I77 PolarHBondContact O-N 3.38Å |
| 76 | K | 38.4 | Very low | 49.1 | Very low | 174 Ų | 174 | 119.7 Ų | 119.7 | 76% | 0.757 | 56% | 0.56 | S | S | * | * | trans | 0 | 113.1 | 163.2 | -65.6 | 172.4 | 179.1 | 177.6 | 0 | 112.8 | N74 | N74-K76 PolarHBondContact O-N 3.38Å; N74-K76 VanDerWaalsContact O-N 3.12Å | ||
| 77 | I | 41 | Very low | 51.1 | Low | 115 Ų | 115 | 113.7 Ų | 113.7 | 59% | 0.59 | 54% | 0.537 | S | S | * | . | trans | -26.7 | 116.1 | 162.3 | -60.4 | 160.6 | 0 | 0 | 0 | 107 | S75 Y79 | S75-I77 PolarHBondContact O-N 3.38Å; I77-Y79 PolarHBondContact O-N 2.94Å | ||
| 78 | P | 43.1 | Very low | 53.4 | Low | 67 Ų | 67 | 106.1 Ų | 106.1 | 44% | 0.435 | 51% | 0.505 | S | S | . | . | trans | -53.8 | 116.6 | 175 | 22 | -30 | 0 | 0 | 0 | 104.3 | F80 | P78-F80 HydrophobicContact CG-CE2 4.3Å; P78-F80 HydrophobicContact CG-CZ 4.31Å; P78-F80 WeakPolarHBondContact O-CD2 3.33Å; P78-F80 PolarHBondContact O-N 3.35Å | ||
| 79 | Y | 44.4 | Very low | 55.4 | Low | 195 Ų | 195 | 100.6 Ų | 100.6 | 77% | 0.765 | 48% | 0.481 | S | S | * | . | trans | -59.1 | 92.8 | -176.5 | -84.3 | -101.7 | 0 | 0 | 0 | 105.8 | I77 H81 | I77-Y79 PolarHBondContact O-N 2.94Å; Y79-H81 VanDerWaalsContact C-N 3.28Å; Y79-H81 PolarHBondContact O-N 3.29Å | ||
| 80 | F | 52.8 | Low | 56.8 | Low | 34 Ų | 34 | 102.8 Ų | 102.8 | 15% | 0.149 | 49% | 0.486 | C | S | . | . | trans | -58 | 107.6 | 161 | -66.2 | -69.7 | 0 | 0 | 0 | 102.8 | P78 R82 N107 V142 N146 | P78-F80 HydrophobicContact CG-CE2 4.3Å; P78-F80 HydrophobicContact CG-CZ 4.31Å; P78-F80 WeakPolarHBondContact O-CD2 3.33Å; P78-F80 PolarHBondContact O-N 3.35Å; F80-R82 WeakPolarHBondContact O-CG 3.4Å; F80-R82 PolarHBondContact O-N 3.05Å; F80-N107 HydrophobicContact CD1-CB 4.46Å; F80-V142 HydrophobicContact CE1-CG1 4.32Å; F80-N146 HydrophobicContact CD1-CB 4.13Å; F80-N146 HydrophobicContact CE1-CB 3.41Å; F80-N146 VanDerWaalsContact CE1-CB 3.41Å; F80-N146 HydrophobicContact CE2-CB 4.49Å; F80-N146 WeakPolarHBondContact CE2-OD1 3.25Å; F80-N146 HydrophobicContact CZ-CB 3.61Å; F80-N146 WeakPolarHBondContact CZ-OD1 3.44Å | ||
| 81 | H | 52.1 | Low | 57.5 | Low | 131 Ų | 131 | 98.4 Ų | 98.4 | 61% | 0.606 | 47% | 0.473 | S | S | * | . | trans | -51.3 | 117.7 | 178.5 | -88.9 | -84.5 | 0 | 0 | 0 | 106.2 | Y79 E83 R108 | Y79-H81 VanDerWaalsContact C-N 3.28Å; Y79-H81 PolarHBondContact O-N 3.29Å; H81-E83 HydrophobicContact CB-CG 4.14Å; H81-E83 PolarHBondContact O-N 3.15Å; H81-E83 VanDerWaalsContact O-N 3.14Å; H81-R108 CarbonylContact O-C 3.49Å; H81-R108 VanDerWaalsContact O-C 3.31Å; H81-R108 WeakPolarHBondContact O-CA 3.38Å | ||
| 82 | R | 67 | Low | 58.4 | Low | 157 Ų | 157 | 94.7 Ų | 94.7 | 59% | 0.592 | 46% | 0.463 | S | S | * | . | trans | -89.4 | 69.7 | 178.3 | -65.5 | -175.6 | -171.8 | -179 | 5.7 | 107.2 | F80 D110 | F80-R82 WeakPolarHBondContact O-CG 3.4Å; F80-R82 PolarHBondContact O-N 3.05Å; R82-D110 HydrophobicContact CB-CB 4.14Å; R82-D110 WeakPolarHBondContact CD-OD2 3.49Å; R82-D110 HydrophobicContact CG-CB 4.34Å | ||
| 83 | E | 76.8 | Confident | 59.5 | Low | 48 Ų | 48 | 94.1 Ų | 94.1 | 22% | 0.224 | 46% | 0.463 | C | S | . | . | B | Isolated β-bridge | trans | -74.8 | 132.8 | 176.4 | -60.9 | -180 | -157.6 | 0 | 0 | 108.1 | H81 W85 I86 R108 | H81-E83 HydrophobicContact CB-CG 4.14Å; H81-E83 PolarHBondContact O-N 3.15Å; H81-E83 VanDerWaalsContact O-N 3.14Å; E83-W85 VanDerWaalsContact CB-O 3.3Å; E83-W85 WeakPolarHBondContact CB-O 3.38Å; E83-W85 PolarHBondContact O-N 3.29Å; E83-I86 HydrophobicContact CB-CG2 4.16Å; E83-R108 VanDerWaalsContact CD-NE 3.34Å; E83-R108 PolarHBondContact N-O 2.98Å; E83-R108 IonicContact OE1-CZ 2.58Å; E83-R108 VanDerWaalsContact OE1-CZ 3.3Å; E83-R108 IonicContact OE1-NE 2.74Å; E83-R108 PolarHBondContact OE1-NE 3.29Å; E83-R108 IonicContact OE1-NH2 3.14Å; E83-R108 PolarHBondContact OE1-NH2 3.25Å; E83-R108 IonicContact OE2-CZ 3.25Å; E83-R108 VanDerWaalsContact OE2-CZ 3.32Å; E83-R108 IonicContact OE2-NE 3.48Å; E83-R108 PolarHBondContact OE2-NE 3.06Å; E83-R108 IonicContact OE2-NH2 2.67Å; E83-R108 PolarHBondContact OE2-NH2 2.7Å |
| 84 | K | 80.7 | Confident | 60.3 | Low | 152 Ų | 152 | 98.2 Ų | 98.2 | 66% | 0.661 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -66.2 | -20.5 | 174.9 | -68 | -174.3 | 178 | -176.9 | 0 | 111.9 | T330 | K84-T330 HydrophobicContact CB-CG2 4.3Å; K84-T330 PolarHBondContact O-OG1 3.34Å |
| 85 | W | 87 | Confident | 61.4 | Low | 72 Ų | 72 | 99.8 Ų | 99.8 | 27% | 0.273 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 154.5 | -177.1 | 52.2 | -105 | 0 | 0 | 0 | 109.7 | E83 Y87 I324 L325 F326 H332 P333 | E83-W85 VanDerWaalsContact CB-O 3.3Å; E83-W85 WeakPolarHBondContact CB-O 3.38Å; E83-W85 PolarHBondContact O-N 3.29Å; W85-Y87 HydrophobicContact CE3-CE2 4.33Å; W85-Y87 AromaticContact CH2-CE2 3.99Å; W85-Y87 HydrophobicContact CH2-CE2 3.99Å; W85-Y87 AromaticContact CZ3-CD2 3.87Å; W85-Y87 HydrophobicContact CZ3-CD2 3.87Å; W85-Y87 AromaticContact CZ3-CE2 3.36Å; W85-Y87 HydrophobicContact CZ3-CE2 3.36Å; W85-Y87 AromaticContact CZ3-CZ 3.9Å; W85-I324 HydrophobicContact CB-CG2 3.53Å; W85-I324 HydrophobicContact CD2-CG2 4.2Å; W85-I324 HydrophobicContact CE3-CD1 4.27Å; W85-I324 HydrophobicContact CE3-CG2 4.03Å; W85-I324 HydrophobicContact CG-CG2 4.04Å; W85-L325 CarbonylContact C-O 3.55Å; W85-L325 WeakPolarHBondContact CA-O 3.48Å; W85-F326 HydrophobicContact CB-CB 3.61Å; W85-H332 HydrophobicContact CB-CB 4.49Å; W85-H332 HydrophobicContact CG-CB 4.35Å; W85-P333 VanDerWaalsContact CE2-CD 3.47Å; W85-P333 HydrophobicContact CH2-CG 3.99Å; W85-P333 HydrophobicContact CZ2-CG 3.58Å |
| 86 | I | 87 | Confident | 62.4 | Low | 0 Ų | 0 | 103 Ų | 103 | 0% | 0 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 152.9 | 177.8 | 67.4 | 171.7 | 0 | 0 | 0 | 110.6 | E83 V88 A105 R108 L109 I324 L325 | E83-I86 HydrophobicContact CB-CG2 4.16Å; I86-V88 HydrophobicContact CG1-CG2 4.37Å; I86-A105 VanDerWaalsContact CD1-CA 3.46Å; I86-A105 HydrophobicContact CD1-CB 3.4Å; I86-A105 VanDerWaalsContact CD1-CB 3.4Å; I86-R108 HydrophobicContact CG2-CB 3.67Å; I86-L109 HydrophobicContact CD1-CD1 4.1Å; I86-L109 HydrophobicContact CD1-CD2 4.42Å; I86-L109 HydrophobicContact CD1-CG 4.02Å; I86-L109 HydrophobicContact CG1-CD2 4.12Å; I86-L109 HydrophobicContact CG1-CG 4.27Å; I86-L109 HydrophobicContact CG2-CD2 3.93Å; I86-L109 HydrophobicContact CG2-CG 4.14Å; I86-I324 CarbonylContact O-C 3.31Å; I86-I324 WeakPolarHBondContact O-CA 3.43Å; I86-L325 HydrophobicContact CD1-CD2 4.07Å; I86-L325 HydrophobicContact CG1-CB 3.9Å; I86-L325 HydrophobicContact CG1-CD2 4.22Å; I86-L325 PolarHBondContact N-O 3.3Å; I86-L325 PolarHBondContact O-N 3.12Å |
| 87 | Y | 85.5 | Confident | 62.6 | Low | 72 Ų | 72 | 104 Ų | 104 | 28% | 0.282 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 131.7 | 169.2 | -70.6 | -79.6 | 0 | 0 | 0 | 110.8 | W85 I324 | W85-Y87 HydrophobicContact CE3-CE2 4.33Å; W85-Y87 AromaticContact CH2-CE2 3.99Å; W85-Y87 HydrophobicContact CH2-CE2 3.99Å; W85-Y87 AromaticContact CZ3-CD2 3.87Å; W85-Y87 HydrophobicContact CZ3-CD2 3.87Å; W85-Y87 AromaticContact CZ3-CE2 3.36Å; W85-Y87 HydrophobicContact CZ3-CE2 3.36Å; W85-Y87 AromaticContact CZ3-CZ 3.9Å; Y87-I324 HydrophobicContact CD1-CD1 4.21Å; Y87-I324 HydrophobicContact CD1-CG1 3.54Å; Y87-I324 HydrophobicContact CE1-CD1 3.53Å; Y87-I324 HydrophobicContact CE1-CG1 3.39Å; Y87-I324 HydrophobicContact CG-CG1 4.35Å |
| 88 | V | 84.5 | Confident | 63.3 | Low | 5 Ų | 5 | 100 Ų | 100 | 3% | 0.03 | 47% | 0.474 | C | S | . | . | trans | -106.5 | 100.1 | 175.5 | -178.4 | 0 | 0 | 0 | 0 | 108.7 | I86 L318 H323 L325 F355 | I86-V88 HydrophobicContact CG1-CG2 4.37Å; V88-L318 HydrophobicContact CB-CD1 4.38Å; V88-L318 HydrophobicContact CG2-CD1 4.43Å; V88-H323 PolarHBondContact N-O 3.44Å; V88-H323 WeakPolarHBondContact O-CB 3.48Å; V88-L325 HydrophobicContact CG2-CB 3.55Å; V88-L325 HydrophobicContact CG2-CD2 4.17Å; V88-L325 HydrophobicContact CG2-CG 4.45Å; V88-F355 HydrophobicContact CG1-CE1 4.01Å; V88-F355 HydrophobicContact CG1-CZ 4.41Å; V88-F355 HydrophobicContact CG2-CZ 4.35Å | ||
| 89 | H | 75.4 | Confident | 64.4 | Low | 51 Ų | 51 | 104.3 Ų | 104.3 | 24% | 0.236 | 48% | 0.483 | C | S | . | . | trans | -99 | 125.9 | 177.1 | -64.2 | -53.1 | 0 | 0 | 0 | 110.6 | G91 R96 | H89-G91 VanDerWaalsContact C-N 3.32Å; H89-R96 PolarHBondContact CE1-NH1 3.23Å; H89-R96 VanDerWaalsContact CE1-NH1 3.31Å; H89-R96 PolarHBondContact NE2-NH1 2.89Å | ||
| 90 | K | 65.9 | Low | 66.2 | Low | 148 Ų | 148 | 95.3 Ų | 95.3 | 64% | 0.643 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -83.4 | -3.9 | 177.8 | -61.4 | -167.5 | 171 | -175.4 | 0 | 113.8 | F357 | K90-F357 HydrophobicContact CB-CE1 3.7Å; K90-F357 HydrophobicContact CB-CZ 4.03Å; K90-F357 HydrophobicContact CD-CE1 4.04Å; K90-F357 HydrophobicContact CG-CE1 3.64Å; K90-F357 HydrophobicContact CG-CZ 3.82Å |
| 91 | G | 57.8 | Low | 67.9 | Low | 43 Ų | 43 | 96.3 Ų | 96.3 | 44% | 0.443 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -164.7 | 157.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | H89 | H89-G91 VanDerWaalsContact C-N 3.32Š|
| 92 | S | 53.7 | Low | 69.7 | Low | 76 Ų | 76 | 90.7 Ų | 90.7 | 53% | 0.531 | 43% | 0.432 | S | S | . | . | trans | -80.4 | 133.9 | 175.1 | -165.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 93 | T | 57.3 | Low | 70.8 | Confident | 84 Ų | 84 | 83.5 Ų | 83.5 | 52% | 0.515 | 41% | 0.406 | S | S | . | . | B | Isolated β-bridge | trans | -115.7 | 161.1 | 174.5 | 58.7 | 0 | 0 | 0 | 0 | 109.8 | E95 R96 | T93-E95 PolarHBondContact O-N 3.48Å; T93-E95 VanDerWaalsContact O-N 3.12Å; T93-R96 PolarHBondContact N-O 3.02Å; T93-R96 CarbonylContact O-C 3.43Å; T93-R96 PolarHBondContact O-N 3.32Å; T93-R96 PolarHBondContact OG1-N 3.09Å |
| 94 | K | 51.5 | Low | 71.3 | Confident | 224 Ų | 224 | 84.4 Ų | 84.4 | 97% | 0.974 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -24.4 | 178.8 | -72 | -173.8 | 177.9 | -179.2 | 0 | 113.3 | ||
| 95 | E | 56 | Low | 71.8 | Confident | 187 Ų | 187 | 77.2 Ų | 77.2 | 87% | 0.874 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -16.9 | -178.8 | -62.5 | -179.4 | 179.2 | 0 | 0 | 113.8 | T93 | T93-E95 PolarHBondContact O-N 3.48Å; T93-E95 VanDerWaalsContact O-N 3.12Å |
| 96 | R | 52.8 | Low | 71.9 | Confident | 128 Ų | 128 | 73.8 Ų | 73.8 | 48% | 0.483 | 37% | 0.366 | S | S | . | . | B | Isolated β-bridge | trans | -139.5 | 115.7 | -179.8 | -64.5 | -173.4 | -175 | -171.5 | 2.2 | 111 | H89 T93 | H89-R96 PolarHBondContact CE1-NH1 3.23Å; H89-R96 VanDerWaalsContact CE1-NH1 3.31Å; H89-R96 PolarHBondContact NE2-NH1 2.89Å; T93-R96 PolarHBondContact N-O 3.02Å; T93-R96 CarbonylContact O-C 3.43Å; T93-R96 PolarHBondContact O-N 3.32Å; T93-R96 PolarHBondContact OG1-N 3.09Å |
| 97 | H | 41.6 | Very low | 72.1 | Confident | 194 Ų | 194 | 74.8 Ų | 74.8 | 90% | 0.898 | 37% | 0.371 | S | S | * | . | trans | -86.2 | 121.5 | 178.2 | -141.7 | 84.3 | 0 | 0 | 0 | 110.4 | ||||
| 98 | G | 56 | Low | 72.3 | Confident | 33 Ų | 33 | 74.4 Ų | 74.4 | 34% | 0.34 | 37% | 0.369 | S | S | . | . | trans | 127.2 | 139 | 168 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 99 | Y | 67.5 | Low | 72.5 | Confident | 157 Ų | 157 | 74.5 Ų | 74.5 | 62% | 0.616 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -94.6 | 134.4 | 165.8 | 50.8 | -84.1 | 0 | 0 | 0 | 108.1 | T101 | Y99-T101 HydrophobicContact CD2-CG2 3.47Å; Y99-T101 VanDerWaalsContact CD2-CG2 3.47Å; Y99-T101 HydrophobicContact CE2-CG2 3.32Å; Y99-T101 PolarHBondContact O-N 3.35Å |
| 100 | C | 81.4 | Confident | 73 | Confident | 5 Ų | 5 | 73.5 Ų | 73.5 | 3% | 0.034 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -76.1 | 119.1 | 174.8 | -171.5 | 0 | 0 | 0 | 0 | 108 | F355 | C100-F355 HydrophobicContact CB-CE1 4.27Å; C100-F355 VanDerWaalsContact O-CD1 3.22Å; C100-F355 WeakPolarHBondContact O-CD1 3.41Å |
| 101 | T | 88.3 | Confident | 74.2 | Confident | 55 Ų | 55 | 66.5 Ų | 66.5 | 34% | 0.337 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -91.1 | 160.8 | 175.7 | 61.3 | 0 | 0 | 0 | 0 | 111.3 | Y99 G103 E104 A105 | Y99-T101 HydrophobicContact CD2-CG2 3.47Å; Y99-T101 VanDerWaalsContact CD2-CG2 3.47Å; Y99-T101 HydrophobicContact CE2-CG2 3.32Å; Y99-T101 PolarHBondContact O-N 3.35Å; T101-G103 PolarHBondContact O-N 3.22Å; T101-E104 PolarHBondContact O-N 3.47Å; T101-E104 VanDerWaalsContact O-N 3.08Å; T101-E104 WeakPolarHBondContact OG1-CB 3.33Å; T101-E104 PolarHBondContact OG1-N 2.94Å; T101-E104 VanDerWaalsContact OG1-N 3.14Å; T101-A105 PolarHBondContact O-N 3.26Å |
| 102 | L | 90.4 | Very high | 75.6 | Confident | 14 Ų | 14 | 65.2 Ų | 65.2 | 7% | 0.073 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -51.9 | -44.4 | 171.1 | 177.5 | 62.7 | 0 | 0 | 0 | 111.7 | E104 A105 F106 Q135 L139 F351 I352 F355 | L102-E104 VanDerWaalsContact C-N 3.35Å; L102-E104 PolarHBondContact O-N 3.32Å; L102-A105 PolarHBondContact O-N 3.48Å; L102-F106 WeakPolarHBondContact O-CB 3.2Å; L102-F106 PolarHBondContact O-N 2.86Å; L102-Q135 HydrophobicContact CD2-CB 4.05Å; L102-Q135 HydrophobicContact CD2-CG 4.18Å; L102-L139 HydrophobicContact CB-CD2 4.42Å; L102-L139 HydrophobicContact CD2-CD2 4.01Å; L102-L139 HydrophobicContact CG-CD2 3.98Å; L102-F351 HydrophobicContact CD1-CD1 4.24Å; L102-F351 HydrophobicContact CD1-CE1 3.52Å; L102-F351 HydrophobicContact CD1-CZ 3.96Å; L102-I352 HydrophobicContact CD1-CG1 4.37Å; L102-I352 HydrophobicContact CD2-CG2 4.33Å; L102-F355 HydrophobicContact CB-CB 3.87Å; L102-F355 HydrophobicContact CB-CD2 4.06Å; L102-F355 HydrophobicContact CB-CG 4.03Å; L102-F355 HydrophobicContact CD1-CD2 3.79Å; L102-F355 HydrophobicContact CD1-CE2 4.25Å |
| 103 | G | 88.8 | Confident | 77.1 | Confident | 5 Ų | 5 | 63.8 Ų | 63.8 | 5% | 0.052 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66 | -34.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | T101 N107 | T101-G103 PolarHBondContact O-N 3.22Å; G103-N107 WeakPolarHBondContact O-CB 3.25Å; G103-N107 PolarHBondContact O-N 2.85Å; G103-N107 VanDerWaalsContact O-N 3.13Å; G103-N107 PolarHBondContact O-ND2 2.94Å |
| 104 | E | 88.8 | Confident | 78.6 | Confident | 68 Ų | 68 | 59.8 Ų | 59.8 | 32% | 0.318 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -69.4 | -48.7 | 174.6 | -168.1 | -169.5 | 158.8 | 0 | 0 | 111.3 | T101 L102 F106 N107 R108 | T101-E104 PolarHBondContact O-N 3.47Å; T101-E104 VanDerWaalsContact O-N 3.08Å; T101-E104 WeakPolarHBondContact OG1-CB 3.33Å; T101-E104 PolarHBondContact OG1-N 2.94Å; T101-E104 VanDerWaalsContact OG1-N 3.14Å; L102-E104 VanDerWaalsContact C-N 3.35Å; L102-E104 PolarHBondContact O-N 3.32Å; E104-F106 VanDerWaalsContact C-N 3.27Å; E104-F106 PolarHBondContact O-N 3Å; E104-N107 PolarHBondContact O-N 3.31Å; E104-N107 VanDerWaalsContact O-N 3.09Å; E104-R108 HydrophobicContact CG-CG 4.37Å; E104-R108 WeakPolarHBondContact O-CG 3.37Å; E104-R108 PolarHBondContact O-N 3.4Å; E104-R108 WeakPolarHBondContact OE1-CD 3.46Å; E104-R108 IonicContact OE1-CZ 3.33Å; E104-R108 IonicContact OE1-NH1 2.71Å; E104-R108 PolarHBondContact OE1-NH1 3.18Å |
| 105 | A | 90.1 | Very high | 80.5 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.9 | -42.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I86 T101 L102 N107 R108 L109 F351 F355 | I86-A105 VanDerWaalsContact CD1-CA 3.46Å; I86-A105 HydrophobicContact CD1-CB 3.4Å; I86-A105 VanDerWaalsContact CD1-CB 3.4Å; T101-A105 PolarHBondContact O-N 3.26Å; L102-A105 PolarHBondContact O-N 3.48Å; A105-N107 VanDerWaalsContact C-N 3.29Å; A105-N107 PolarHBondContact O-N 3.45Å; A105-R108 PolarHBondContact O-N 3.43Å; A105-L109 WeakPolarHBondContact O-CB 3.43Å; A105-L109 WeakPolarHBondContact O-CG 3.06Å; A105-L109 PolarHBondContact O-N 3.45Å; A105-F351 HydrophobicContact CB-CE2 4.31Å; A105-F351 HydrophobicContact CB-CZ 4.21Å; A105-F355 HydrophobicContact CB-CE1 3.94Å; A105-F355 HydrophobicContact CB-CE2 3.95Å; A105-F355 HydrophobicContact CB-CZ 3.38Å |
| 106 | F | 90.6 | Very high | 82 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.5 | -31.2 | 177.3 | -169.5 | -101.5 | 0 | 0 | 0 | 113.5 | L102 E104 F111 L127 L128 I131 N146 Y147 I150 | L102-F106 WeakPolarHBondContact O-CB 3.2Å; L102-F106 PolarHBondContact O-N 2.86Å; E104-F106 VanDerWaalsContact C-N 3.27Å; E104-F106 PolarHBondContact O-N 3Å; F106-F111 AromaticContact CD2-CD2 3.92Å; F106-F111 HydrophobicContact CD2-CD2 3.92Å; F106-F111 AromaticContact CD2-CE2 3.75Å; F106-F111 HydrophobicContact CD2-CE2 3.75Å; F106-F111 HydrophobicContact CD2-CZ 4.36Å; F106-F111 HydrophobicContact CE2-CD2 4.1Å; F106-F111 HydrophobicContact CE2-CE2 4.28Å; F106-F111 HydrophobicContact CE2-CG 4.44Å; F106-F111 HydrophobicContact CG-CE2 4.44Å; F106-L127 HydrophobicContact CD2-CD2 4.46Å; F106-L127 HydrophobicContact CE2-CD2 4.39Å; F106-L128 HydrophobicContact CE2-CD2 4.18Å; F106-L128 HydrophobicContact CZ-CD2 3.77Å; F106-I131 HydrophobicContact CD2-CD1 4.01Å; F106-I131 HydrophobicContact CE2-CD1 3.86Å; F106-I131 HydrophobicContact CZ-CD1 4.43Å; F106-N146 HydrophobicContact CE1-CB 4.38Å; F106-N146 PolarHBondContact O-ND2 3.11Å; F106-Y147 HydrophobicContact CZ-CD2 4.3Å; F106-I150 HydrophobicContact CE1-CD1 3.62Å; F106-I150 HydrophobicContact CE2-CD1 4.26Å; F106-I150 HydrophobicContact CZ-CD1 3.47Å; F106-I150 VanDerWaalsContact CZ-CD1 3.47Å |
| 107 | N | 90.5 | Very high | 83.5 | Confident | 22 Ų | 22 | 42.2 Ų | 42.2 | 12% | 0.118 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -82.1 | -30.1 | 177.7 | -74.6 | -27 | 0 | 0 | 0 | 114.2 | F80 G103 E104 A105 A143 N146 | F80-N107 HydrophobicContact CD1-CB 4.46Å; G103-N107 WeakPolarHBondContact O-CB 3.25Å; G103-N107 PolarHBondContact O-N 2.85Å; G103-N107 VanDerWaalsContact O-N 3.13Å; G103-N107 PolarHBondContact O-ND2 2.94Å; E104-N107 PolarHBondContact O-N 3.31Å; E104-N107 VanDerWaalsContact O-N 3.09Å; A105-N107 VanDerWaalsContact C-N 3.29Å; A105-N107 PolarHBondContact O-N 3.45Å; N107-A143 PolarHBondContact ND2-N 3.25Å; N107-A143 WeakPolarHBondContact OD1-CA 3.36Å; N107-N146 WeakPolarHBondContact OD1-CB 3.47Å; N107-N146 PolarHBondContact OD1-ND2 3.48Å |
| 108 | R | 88.7 | Confident | 85.6 | Confident | 64 Ų | 64 | 34.2 Ų | 34.2 | 24% | 0.242 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -92.7 | -26.2 | -174.4 | -68.4 | 176.4 | 68.8 | -173.5 | -3.4 | 113.7 | H81 E83 I86 E104 A105 | H81-R108 CarbonylContact O-C 3.49Å; H81-R108 VanDerWaalsContact O-C 3.31Å; H81-R108 WeakPolarHBondContact O-CA 3.38Å; E83-R108 VanDerWaalsContact CD-NE 3.34Å; E83-R108 PolarHBondContact N-O 2.98Å; E83-R108 IonicContact OE1-CZ 2.58Å; E83-R108 VanDerWaalsContact OE1-CZ 3.3Å; E83-R108 IonicContact OE1-NE 2.74Å; E83-R108 PolarHBondContact OE1-NE 3.29Å; E83-R108 IonicContact OE1-NH2 3.14Å; E83-R108 PolarHBondContact OE1-NH2 3.25Å; E83-R108 IonicContact OE2-CZ 3.25Å; E83-R108 VanDerWaalsContact OE2-CZ 3.32Å; E83-R108 IonicContact OE2-NE 3.48Å; E83-R108 PolarHBondContact OE2-NE 3.06Å; E83-R108 IonicContact OE2-NH2 2.67Å; E83-R108 PolarHBondContact OE2-NH2 2.7Å; I86-R108 HydrophobicContact CG2-CB 3.67Å; E104-R108 HydrophobicContact CG-CG 4.37Å; E104-R108 WeakPolarHBondContact O-CG 3.37Å; E104-R108 PolarHBondContact O-N 3.4Å; E104-R108 WeakPolarHBondContact OE1-CD 3.46Å; E104-R108 IonicContact OE1-CZ 3.33Å; E104-R108 IonicContact OE1-NH1 2.71Å; E104-R108 PolarHBondContact OE1-NH1 3.18Å; A105-R108 PolarHBondContact O-N 3.43Å |
| 109 | L | 89.1 | Confident | 87 | Confident | 6 Ų | 6 | 37.7 Ų | 37.7 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | B | Isolated β-bridge | trans | -79.7 | 140.5 | 174 | -69.2 | 168.5 | 0 | 0 | 0 | 110.8 | I86 A105 F111 L316 L325 F351 | I86-L109 HydrophobicContact CD1-CD1 4.1Å; I86-L109 HydrophobicContact CD1-CD2 4.42Å; I86-L109 HydrophobicContact CD1-CG 4.02Å; I86-L109 HydrophobicContact CG1-CD2 4.12Å; I86-L109 HydrophobicContact CG1-CG 4.27Å; I86-L109 HydrophobicContact CG2-CD2 3.93Å; I86-L109 HydrophobicContact CG2-CG 4.14Å; A105-L109 WeakPolarHBondContact O-CB 3.43Å; A105-L109 WeakPolarHBondContact O-CG 3.06Å; A105-L109 PolarHBondContact O-N 3.45Å; L109-F111 HydrophobicContact CB-CD2 3.96Å; L109-F111 HydrophobicContact CB-CE2 3.58Å; L109-F111 HydrophobicContact CB-CZ 4.2Å; L109-F111 HydrophobicContact CD1-CE2 4.02Å; L109-F111 HydrophobicContact CD1-CZ 4.03Å; L109-F111 HydrophobicContact CG-CE2 4.44Å; L109-F111 PolarHBondContact O-N 3.31Å; L109-L316 HydrophobicContact CD1-CD1 4.12Å; L109-L316 HydrophobicContact CD1-CD2 4.27Å; L109-L325 HydrophobicContact CD1-CD2 3.61Å; L109-L325 HydrophobicContact CD1-CG 4.28Å; L109-F351 HydrophobicContact CD1-CE2 4.11Å; L109-F351 HydrophobicContact CD1-CZ 4.5Å |
| 110 | D | 87.1 | Confident | 88 | Confident | 31 Ų | 31 | 31.4 Ų | 31.4 | 17% | 0.166 | 15% | 0.154 | C | C | . | . | trans | -79.6 | 68.1 | -179.3 | -167.1 | 3.3 | 0 | 0 | 0 | 113.1 | R82 S112 S113 A114 | R82-D110 HydrophobicContact CB-CB 4.14Å; R82-D110 WeakPolarHBondContact CD-OD2 3.49Å; R82-D110 HydrophobicContact CG-CB 4.34Å; D110-S112 PolarHBondContact O-N 3.31Å; D110-S112 PolarHBondContact OD1-N 3.17Å; D110-S113 PolarHBondContact OD1-N 2.82Å; D110-S113 PolarHBondContact OD1-OG 3.17Å; D110-S113 WeakPolarHBondContact OD2-CB 3.32Å; D110-S113 PolarHBondContact OD2-OG 3.3Å; D110-A114 PolarHBondContact O-N 3.39Å | ||
| 111 | F | 90.6 | Very high | 88.5 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 0% | 0.004 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.9 | -26.1 | 171.2 | -71.1 | -72.5 | 0 | 0 | 0 | 112.2 | F106 L109 A114 I115 V124 L127 I150 L316 W327 F351 | F106-F111 AromaticContact CD2-CD2 3.92Å; F106-F111 HydrophobicContact CD2-CD2 3.92Å; F106-F111 AromaticContact CD2-CE2 3.75Å; F106-F111 HydrophobicContact CD2-CE2 3.75Å; F106-F111 HydrophobicContact CD2-CZ 4.36Å; F106-F111 HydrophobicContact CE2-CD2 4.1Å; F106-F111 HydrophobicContact CE2-CE2 4.28Å; F106-F111 HydrophobicContact CE2-CG 4.44Å; F106-F111 HydrophobicContact CG-CE2 4.44Å; L109-F111 HydrophobicContact CB-CD2 3.96Å; L109-F111 HydrophobicContact CB-CE2 3.58Å; L109-F111 HydrophobicContact CB-CZ 4.2Å; L109-F111 HydrophobicContact CD1-CE2 4.02Å; L109-F111 HydrophobicContact CD1-CZ 4.03Å; L109-F111 HydrophobicContact CG-CE2 4.44Å; L109-F111 PolarHBondContact O-N 3.31Å; F111-A114 WeakPolarHBondContact O-CB 3.45Å; F111-A114 PolarHBondContact O-N 2.86Å; F111-I115 WeakPolarHBondContact O-CD1 3.43Å; F111-I115 WeakPolarHBondContact O-CG1 3.33Å; F111-I115 PolarHBondContact O-N 3.33Å; F111-V124 HydrophobicContact CD1-CG1 4.29Å; F111-V124 HydrophobicContact CD1-CG2 4.02Å; F111-L127 HydrophobicContact CD1-CD2 4.31Å; F111-L127 HydrophobicContact CE1-CD2 3.49Å; F111-L127 VanDerWaalsContact CE1-CD2 3.49Å; F111-L127 HydrophobicContact CZ-CD2 3.62Å; F111-I150 HydrophobicContact CB-CD1 3.84Å; F111-L316 HydrophobicContact CE1-CD1 4.18Å; F111-L316 HydrophobicContact CZ-CD1 3.99Å; F111-W327 HydrophobicContact CD1-CH2 4.31Å; F111-W327 AromaticContact CD1-CZ2 3.75Å; F111-W327 HydrophobicContact CD1-CZ2 3.75Å; F111-W327 HydrophobicContact CE1-CH2 4.09Å; F111-W327 AromaticContact CE1-CZ2 3.7Å; F111-W327 HydrophobicContact CE1-CZ2 3.7Å; F111-F351 HydrophobicContact CZ-CE1 4.48Å; F111-F351 HydrophobicContact CZ-CZ 4.23Å |
| 112 | S | 86.7 | Confident | 88.6 | Confident | 15 Ų | 15 | 31.1 Ų | 31.1 | 11% | 0.105 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.6 | -42 | -178.6 | -71.4 | 0 | 0 | 0 | 0 | 113 | D110 R153 | D110-S112 PolarHBondContact O-N 3.31Å; D110-S112 PolarHBondContact OD1-N 3.17Å; S112-R153 PolarHBondContact OG-NH1 3.18Å |
| 113 | S | 86.1 | Confident | 88.7 | Confident | 46 Ų | 46 | 30.4 Ų | 30.4 | 32% | 0.322 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -73.5 | -34.2 | 171.2 | -57.2 | 0 | 0 | 0 | 0 | 111.2 | D110 I115 K116 | D110-S113 PolarHBondContact OD1-N 2.82Å; D110-S113 PolarHBondContact OD1-OG 3.17Å; D110-S113 WeakPolarHBondContact OD2-CB 3.32Å; D110-S113 PolarHBondContact OD2-OG 3.3Å; S113-I115 VanDerWaalsContact C-N 3.26Å; S113-I115 PolarHBondContact O-N 2.89Å; S113-K116 WeakPolarHBondContact O-CB 3.35Å; S113-K116 PolarHBondContact O-N 2.96Å |
| 114 | A | 88.3 | Confident | 89 | Confident | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.008 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.4 | -32.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | D110 F111 K116 D117 R120 V124 W327 | D110-A114 PolarHBondContact O-N 3.39Å; F111-A114 WeakPolarHBondContact O-CB 3.45Å; F111-A114 PolarHBondContact O-N 2.86Å; A114-K116 PolarHBondContact O-N 3.3Å; A114-D117 PolarHBondContact O-N 2.67Å; A114-R120 HydrophobicContact CB-CB 4.07Å; A114-R120 WeakPolarHBondContact O-CB 3.45Å; A114-V124 HydrophobicContact CB-CG2 3.98Å; A114-W327 HydrophobicContact CB-CH2 4.08Å; A114-W327 HydrophobicContact CB-CZ2 3.54Å |
| 115 | I | 90.4 | Very high | 89.2 | Confident | 4 Ų | 4 | 27.2 Ų | 27.2 | 2% | 0.021 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.1 | -34.2 | 173.4 | -64.8 | 152.8 | 0 | 0 | 0 | 111.4 | F111 S113 D117 F121 V124 I150 R153 V154 K157 | F111-I115 WeakPolarHBondContact O-CD1 3.43Å; F111-I115 WeakPolarHBondContact O-CG1 3.33Å; F111-I115 PolarHBondContact O-N 3.33Å; S113-I115 VanDerWaalsContact C-N 3.26Å; S113-I115 PolarHBondContact O-N 2.89Å; I115-D117 VanDerWaalsContact C-N 3.28Å; I115-D117 PolarHBondContact O-N 2.77Å; I115-F121 HydrophobicContact CG2-CD2 4.1Å; I115-F121 HydrophobicContact CG2-CE2 4.16Å; I115-F121 WeakPolarHBondContact O-CD2 3.41Å; I115-V124 HydrophobicContact CG1-CG1 3.99Å; I115-I150 HydrophobicContact CD1-CB 4.38Å; I115-I150 HydrophobicContact CD1-CG2 3.55Å; I115-I150 HydrophobicContact CG1-CG2 4.45Å; I115-R153 HydrophobicContact CD1-CB 4.13Å; I115-V154 HydrophobicContact CD1-CG2 3.88Å; I115-V154 HydrophobicContact CG1-CG2 3.8Å; I115-V154 HydrophobicContact CG2-CG2 3.96Å; I115-K157 HydrophobicContact CG2-CB 4.37Å; I115-K157 HydrophobicContact CG2-CD 3.72Å; I115-K157 WeakPolarHBondContact O-CD 3.44Å; I115-K157 WeakPolarHBondContact O-CE 3.45Å |
| 116 | K | 87.5 | Confident | 89.4 | Confident | 137 Ų | 137 | 29.8 Ų | 29.8 | 60% | 0.596 | 14% | 0.14 | S | C | * | . | H | α-helix | trans | -69 | -30.7 | -179.5 | -60.8 | -176.2 | 177.4 | -174.8 | 0 | 111.8 | S113 A114 K157 | S113-K116 WeakPolarHBondContact O-CB 3.35Å; S113-K116 PolarHBondContact O-N 2.96Å; A114-K116 PolarHBondContact O-N 3.3Å; K116-K157 PolarHBondContact O-NZ 3.44Å |
| 117 | D | 86.1 | Confident | 89.6 | Confident | 29 Ų | 29 | 29.8 Ų | 29.8 | 16% | 0.155 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -79.3 | 118 | 175.8 | -175.4 | 1.2 | 0 | 0 | 0 | 111.6 | A114 I115 R119 R120 F121 | A114-D117 PolarHBondContact O-N 2.67Å; I115-D117 VanDerWaalsContact C-N 3.28Å; I115-D117 PolarHBondContact O-N 2.77Å; D117-R119 PolarHBondContact O-N 3.32Å; D117-R119 VanDerWaalsContact O-N 3.13Å; D117-R119 WeakPolarHBondContact OD1-CB 3.27Å; D117-R119 WeakPolarHBondContact OD1-CG 3.48Å; D117-R119 PolarHBondContact OD1-N 2.76Å; D117-R120 HydrophobicContact CB-CB 4.45Å; D117-R120 PolarHBondContact O-N 2.83Å; D117-R120 IonicContact OD2-NH2 2.67Å; D117-F121 WeakPolarHBondContact O-CB 3.5Å; D117-F121 PolarHBondContact O-N 2.91Å |
| 118 | T | 84.9 | Confident | 89.8 | Confident | 26 Ų | 26 | 28.7 Ų | 28.7 | 16% | 0.16 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -56.9 | -25.8 | 175.8 | 60.6 | 0 | 0 | 0 | 0 | 113.8 | ||
| 119 | R | 85.4 | Confident | 90.1 | Very high | 106 Ų | 106 | 27 Ų | 27 | 40% | 0.4 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -74.5 | -35 | -179.6 | -59.5 | 174.5 | -175.7 | 177.5 | 3.2 | 112.4 | D117 D314 | D117-R119 PolarHBondContact O-N 3.32Å; D117-R119 VanDerWaalsContact O-N 3.13Å; D117-R119 WeakPolarHBondContact OD1-CB 3.27Å; D117-R119 WeakPolarHBondContact OD1-CG 3.48Å; D117-R119 PolarHBondContact OD1-N 2.76Å; R119-D314 HydrophobicContact CB-CB 4Å; R119-D314 PolarHBondContact O-N 2.8Å |
| 120 | R | 89.1 | Confident | 90.3 | Very high | 24 Ų | 24 | 27.5 Ų | 27.5 | 9% | 0.091 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -93.5 | -22.1 | -179.9 | -65.8 | -179 | -178.5 | 129.4 | 53.1 | 113.1 | A114 D117 N122 Y123 V124 D314 W327 D329 | A114-R120 HydrophobicContact CB-CB 4.07Å; A114-R120 WeakPolarHBondContact O-CB 3.45Å; D117-R120 HydrophobicContact CB-CB 4.45Å; D117-R120 PolarHBondContact O-N 2.83Å; D117-R120 IonicContact OD2-NH2 2.67Å; R120-N122 PolarHBondContact O-N 3.33Å; R120-Y123 WeakPolarHBondContact O-CA 3.43Å; R120-Y123 VanDerWaalsContact O-CB 3.25Å; R120-Y123 WeakPolarHBondContact O-CB 3.43Å; R120-Y123 PolarHBondContact O-N 3.4Å; R120-V124 PolarHBondContact O-N 3Å; R120-D314 HydrophobicContact CG-CB 3.84Å; R120-D314 IonicContact CZ-OD2 3.28Å; R120-D314 VanDerWaalsContact CZ-OD2 3.25Å; R120-D314 IonicContact NE-OD2 3.07Å; R120-D314 PolarHBondContact NE-OD2 2.97Å; R120-D314 IonicContact NH2-OD2 3.51Å; R120-D314 PolarHBondContact NH2-OD2 3.49Å; R120-W327 HydrophobicContact CB-CH2 4.41Å; R120-W327 HydrophobicContact CB-CZ3 4.21Å; R120-W327 VanDerWaalsContact CD-CE3 3.48Å; R120-W327 HydrophobicContact CG-CE3 3.95Å; R120-W327 HydrophobicContact CG-CH2 4.45Å; R120-W327 HydrophobicContact CG-CZ3 3.86Å; R120-D329 IonicContact CZ-OD1 3.06Å; R120-D329 IonicContact CZ-OD2 2.89Å; R120-D329 IonicContact NH1-OD1 2.61Å; R120-D329 PolarHBondContact NH1-OD1 2.89Å; R120-D329 IonicContact NH1-OD2 3.2Å; R120-D329 IonicContact NH2-OD1 2.73Å; R120-D329 PolarHBondContact NH2-OD1 3.47Å; R120-D329 IonicContact NH2-OD2 3.15Å; R120-D329 PolarHBondContact NH2-OD2 3.17Å |
| 121 | F | 90.8 | Very high | 90.6 | Very high | 4 Ų | 4 | 26 Ų | 26 | 2% | 0.018 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -47.6 | -53.7 | -174.7 | -178.1 | -94.9 | 0 | 0 | 0 | 113.6 | I115 D117 Y123 V124 V125 V154 K157 V158 N164 I168 | I115-F121 HydrophobicContact CG2-CD2 4.1Å; I115-F121 HydrophobicContact CG2-CE2 4.16Å; I115-F121 WeakPolarHBondContact O-CD2 3.41Å; D117-F121 WeakPolarHBondContact O-CB 3.5Å; D117-F121 PolarHBondContact O-N 2.91Å; F121-Y123 VanDerWaalsContact C-N 3.26Å; F121-Y123 PolarHBondContact O-N 3.06Å; F121-V124 PolarHBondContact O-N 3.17Å; F121-V124 VanDerWaalsContact O-N 3.14Å; F121-V125 HydrophobicContact CD1-CG2 4.06Å; F121-V125 HydrophobicContact CE1-CG2 3.6Å; F121-V125 HydrophobicContact CE2-CG2 4.2Å; F121-V125 HydrophobicContact CZ-CG2 3.69Å; F121-V125 WeakPolarHBondContact O-CG2 3.34Å; F121-V125 PolarHBondContact O-N 3.46Å; F121-V154 HydrophobicContact CE2-CG1 4.01Å; F121-V154 HydrophobicContact CZ-CG1 3.96Å; F121-K157 HydrophobicContact CD2-CD 3.87Å; F121-K157 HydrophobicContact CE2-CD 3.89Å; F121-V158 HydrophobicContact CE1-CG2 4.41Å; F121-V158 HydrophobicContact CE2-CG2 4.28Å; F121-V158 HydrophobicContact CZ-CG2 3.56Å; F121-N164 HydrophobicContact CD1-CB 4.41Å; F121-N164 HydrophobicContact CE1-CB 3.68Å; F121-I168 HydrophobicContact CZ-CD1 4.14Å |
| 122 | N | 90.1 | Very high | 90.6 | Very high | 50 Ų | 50 | 26 Ų | 26 | 27% | 0.267 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -64 | -30.3 | -178.8 | -72.2 | -19.9 | 0 | 0 | 0 | 113.1 | R120 R126 Y312 | R120-N122 PolarHBondContact O-N 3.33Å; N122-R126 WeakPolarHBondContact O-CB 2.91Å; N122-R126 PolarHBondContact O-N 2.72Å; N122-R126 VanDerWaalsContact O-N 3.1Å; N122-Y312 HydrophobicContact CB-CD1 4.19Å; N122-Y312 HydrophobicContact CB-CE1 4.31Å; N122-Y312 WeakPolarHBondContact O-CE1 3.28Å |
| 123 | Y | 93.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.9 | -48.2 | 174.3 | -178.8 | -81.1 | 0 | 0 | 0 | 110.5 | R120 F121 R126 L127 Y312 T315 L316 W327 L346 P348 | R120-Y123 WeakPolarHBondContact O-CA 3.43Å; R120-Y123 VanDerWaalsContact O-CB 3.25Å; R120-Y123 WeakPolarHBondContact O-CB 3.43Å; R120-Y123 PolarHBondContact O-N 3.4Å; F121-Y123 VanDerWaalsContact C-N 3.26Å; F121-Y123 PolarHBondContact O-N 3.06Å; Y123-R126 PolarHBondContact O-N 3.45Å; Y123-L127 HydrophobicContact CE1-CD2 4.46Å; Y123-L127 WeakPolarHBondContact O-CB 3.34Å; Y123-L127 PolarHBondContact O-N 3.49Å; Y123-Y312 VanDerWaalsContact CA-CD1 3.5Å; Y123-Y312 HydrophobicContact CD2-CD1 4.35Å; Y123-Y312 AromaticContact CD2-CD2 3.91Å; Y123-Y312 HydrophobicContact CD2-CD2 3.91Å; Y123-Y312 HydrophobicContact CD2-CE2 4.38Å; Y123-Y312 AromaticContact CD2-CG 3.9Å; Y123-Y312 HydrophobicContact CD2-CG 3.9Å; Y123-Y312 HydrophobicContact CG-CG 4.49Å; Y123-T315 HydrophobicContact CD2-CG2 3.95Å; Y123-T315 HydrophobicContact CE2-CG2 4.1Å; Y123-L316 HydrophobicContact CE1-CD1 3.99Å; Y123-L316 HydrophobicContact CE1-CG 4.16Å; Y123-W327 AromaticContact CD1-CH2 3.72Å; Y123-W327 HydrophobicContact CD1-CH2 3.72Å; Y123-W327 AromaticContact CD1-CZ3 3.97Å; Y123-W327 HydrophobicContact CD1-CZ3 3.97Å; Y123-W327 HydrophobicContact CE1-CH2 4.05Å; Y123-W327 HydrophobicContact CE1-CZ3 4.29Å; Y123-W327 HydrophobicContact CG-CZ3 4.44Å; Y123-L346 VanDerWaalsContact CE2-O 3.31Å; Y123-L346 WeakPolarHBondContact CE2-O 3.27Å; Y123-P348 HydrophobicContact CD2-CG 3.67Å; Y123-P348 HydrophobicContact CE1-CG 4.47Å; Y123-P348 HydrophobicContact CE2-CB 4.45Å; Y123-P348 VanDerWaalsContact CE2-CD 3.47Å; Y123-P348 HydrophobicContact CE2-CG 3.61Å; Y123-P348 HydrophobicContact CG-CG 4.14Å |
| 124 | V | 94.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.8 | -44.3 | 179.8 | -177.1 | 0 | 0 | 0 | 0 | 111 | F111 A114 I115 R120 F121 R126 L127 L128 I150 W327 | F111-V124 HydrophobicContact CD1-CG1 4.29Å; F111-V124 HydrophobicContact CD1-CG2 4.02Å; A114-V124 HydrophobicContact CB-CG2 3.98Å; I115-V124 HydrophobicContact CG1-CG1 3.99Å; R120-V124 PolarHBondContact O-N 3Å; F121-V124 PolarHBondContact O-N 3.17Å; F121-V124 VanDerWaalsContact O-N 3.14Å; V124-R126 VanDerWaalsContact C-N 3.34Å; V124-R126 PolarHBondContact O-N 3.24Å; V124-L127 WeakPolarHBondContact O-CB 2.97Å; V124-L127 PolarHBondContact O-N 2.88Å; V124-L128 HydrophobicContact CG1-CD1 4.37Å; V124-L128 HydrophobicContact CG1-CG 4.45Å; V124-L128 WeakPolarHBondContact O-CG 3.47Å; V124-L128 PolarHBondContact O-N 3.13Å; V124-I150 HydrophobicContact CG1-CG2 4.3Å; V124-W327 HydrophobicContact CG2-CH2 4.15Å |
| 125 | V | 93.8 | Very high | 90.7 | Very high | 6 Ų | 6 | 33.2 Ų | 33.2 | 4% | 0.036 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.8 | -46.2 | 177.1 | 172 | 0 | 0 | 0 | 0 | 111.1 | F121 L127 L128 E129 V154 P167 I168 L171 | F121-V125 HydrophobicContact CD1-CG2 4.06Å; F121-V125 HydrophobicContact CE1-CG2 3.6Å; F121-V125 HydrophobicContact CE2-CG2 4.2Å; F121-V125 HydrophobicContact CZ-CG2 3.69Å; F121-V125 WeakPolarHBondContact O-CG2 3.34Å; F121-V125 PolarHBondContact O-N 3.46Å; V125-L127 VanDerWaalsContact C-N 3.34Å; V125-L127 PolarHBondContact O-N 2.62Å; V125-L128 PolarHBondContact O-N 3.1Å; V125-E129 PolarHBondContact O-N 3.16Å; V125-V154 HydrophobicContact CG2-CG1 4.02Å; V125-P167 HydrophobicContact CG1-CB 4.04Å; V125-I168 HydrophobicContact CB-CD1 4.31Å; V125-I168 HydrophobicContact CG1-CD1 3.69Å; V125-I168 HydrophobicContact CG2-CD1 3.55Å; V125-L171 HydrophobicContact CG1-CD2 4.39Å |
| 126 | R | 93.6 | Very high | 90.6 | Very high | 53 Ų | 53 | 33 Ų | 33 | 20% | 0.2 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.6 | -42.6 | 176.8 | -177.9 | 60.5 | 164 | 168.1 | -3.2 | 111.9 | N122 Y123 V124 L128 E129 L130 E310 Y312 P348 | N122-R126 WeakPolarHBondContact O-CB 2.91Å; N122-R126 PolarHBondContact O-N 2.72Å; N122-R126 VanDerWaalsContact O-N 3.1Å; Y123-R126 PolarHBondContact O-N 3.45Å; V124-R126 VanDerWaalsContact C-N 3.34Å; V124-R126 PolarHBondContact O-N 3.24Å; R126-L128 VanDerWaalsContact C-N 3.33Å; R126-L128 PolarHBondContact O-N 3.49Å; R126-E129 WeakPolarHBondContact CD-OE2 3.36Å; R126-E129 IonicContact CZ-OE2 2.73Å; R126-E129 IonicContact NE-OE2 3.15Å; R126-E129 IonicContact NH1-OE1 2.66Å; R126-E129 PolarHBondContact NH1-OE1 2.58Å; R126-E129 VanDerWaalsContact NH1-OE1 3.15Å; R126-E129 IonicContact NH1-OE2 4Å; R126-E129 PolarHBondContact NH1-OE2 2.67Å; R126-E129 WeakPolarHBondContact O-CB 2.7Å; R126-E129 PolarHBondContact O-N 3.41Å; R126-L130 HydrophobicContact CG-CD1 4.31Å; R126-L130 HydrophobicContact CG-CG 4.45Å; R126-L130 WeakPolarHBondContact O-CG 3.12Å; R126-L130 PolarHBondContact O-N 3.13Å; R126-E310 IonicContact CZ-OE1 2.64Å; R126-E310 IonicContact NE-OE1 2.88Å; R126-E310 PolarHBondContact NE-OE1 3.32Å; R126-E310 IonicContact NE-OE2 3.3Å; R126-E310 IonicContact NH2-OE1 3.84Å; R126-E310 PolarHBondContact NH2-OE1 3.11Å; R126-Y312 HydrophobicContact CB-CE1 4.27Å; R126-Y312 WeakPolarHBondContact CB-OH 3.48Å; R126-Y312 VanDerWaalsContact CG-OH 3.23Å; R126-Y312 WeakPolarHBondContact CG-OH 3.39Å; R126-P348 HydrophobicContact CB-CB 4.38Å; R126-P348 HydrophobicContact CB-CG 4.02Å; R126-P348 HydrophobicContact CG-CB 4.02Å; R126-P348 HydrophobicContact CG-CG 3.91Å |
| 127 | L | 94.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58.9 | -45.5 | 177.3 | 177.5 | 59 | 0 | 0 | 0 | 111.5 | F106 F111 Y123 V124 V125 E129 L130 I131 P348 F351 I352 | F106-L127 HydrophobicContact CD2-CD2 4.46Å; F106-L127 HydrophobicContact CE2-CD2 4.39Å; F111-L127 HydrophobicContact CD1-CD2 4.31Å; F111-L127 HydrophobicContact CE1-CD2 3.49Å; F111-L127 VanDerWaalsContact CE1-CD2 3.49Å; F111-L127 HydrophobicContact CZ-CD2 3.62Å; Y123-L127 HydrophobicContact CE1-CD2 4.46Å; Y123-L127 WeakPolarHBondContact O-CB 3.34Å; Y123-L127 PolarHBondContact O-N 3.49Å; V124-L127 WeakPolarHBondContact O-CB 2.97Å; V124-L127 PolarHBondContact O-N 2.88Å; V125-L127 VanDerWaalsContact C-N 3.34Å; V125-L127 PolarHBondContact O-N 2.62Å; L127-E129 VanDerWaalsContact C-N 3.29Å; L127-E129 PolarHBondContact O-N 3.2Å; L127-L130 PolarHBondContact O-N 3.17Å; L127-I131 HydrophobicContact CD1-CD1 4.11Å; L127-I131 HydrophobicContact CD1-CG1 4.39Å; L127-I131 HydrophobicContact CG-CD1 4.03Å; L127-I131 WeakPolarHBondContact O-CG1 3.37Å; L127-I131 PolarHBondContact O-N 3.49Å; L127-P348 HydrophobicContact CB-CB 4.2Å; L127-F351 HydrophobicContact CD1-CD1 3.52Å; L127-F351 HydrophobicContact CD1-CE1 3.84Å; L127-F351 HydrophobicContact CD2-CD1 3.95Å; L127-F351 HydrophobicContact CD2-CE1 3.79Å; L127-F351 HydrophobicContact CG-CD1 4.41Å; L127-F351 HydrophobicContact CG-CE1 4.45Å; L127-I352 HydrophobicContact CD1-CD1 3.93Å; L127-I352 HydrophobicContact CD1-CG1 3.8Å |
| 128 | L | 96.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.7 | -40.5 | 176.1 | -66.9 | 175 | 0 | 0 | 0 | 111.6 | F106 V124 V125 R126 L130 I131 A132 Y147 I150 V154 L171 | F106-L128 HydrophobicContact CE2-CD2 4.18Å; F106-L128 HydrophobicContact CZ-CD2 3.77Å; V124-L128 HydrophobicContact CG1-CD1 4.37Å; V124-L128 HydrophobicContact CG1-CG 4.45Å; V124-L128 WeakPolarHBondContact O-CG 3.47Å; V124-L128 PolarHBondContact O-N 3.13Å; V125-L128 PolarHBondContact O-N 3.1Å; R126-L128 VanDerWaalsContact C-N 3.33Å; R126-L128 PolarHBondContact O-N 3.49Å; L128-L130 PolarHBondContact O-N 3.21Å; L128-I131 PolarHBondContact O-N 3.2Å; L128-A132 WeakPolarHBondContact O-CB 3.47Å; L128-A132 PolarHBondContact O-N 3.15Å; L128-Y147 HydrophobicContact CB-CE2 3.9Å; L128-Y147 HydrophobicContact CD2-CD2 3.44Å; L128-Y147 VanDerWaalsContact CD2-CD2 3.44Å; L128-Y147 HydrophobicContact CD2-CE2 3.36Å; L128-Y147 HydrophobicContact CD2-CG 4.36Å; L128-Y147 HydrophobicContact CG-CE2 4.22Å; L128-Y147 PolarHBondContact O-OH 3.21Å; L128-I150 HydrophobicContact CD1-CG2 3.98Å; L128-I150 HydrophobicContact CD2-CG2 4.07Å; L128-V154 HydrophobicContact CD1-CG2 3.98Å; L128-L171 HydrophobicContact CB-CD1 4.06Å; L128-L171 HydrophobicContact CB-CD2 3.97Å; L128-L171 HydrophobicContact CD1-CD2 4.3Å |
| 129 | E | 94.4 | Very high | 90.8 | Very high | 29 Ų | 29 | 29.4 Ų | 29.4 | 14% | 0.136 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.6 | -43.4 | 178 | -162.3 | -160.3 | 154.6 | 0 | 0 | 112.3 | V125 R126 L127 I131 A132 K133 L171 | V125-E129 PolarHBondContact O-N 3.16Å; R126-E129 WeakPolarHBondContact CD-OE2 3.36Å; R126-E129 IonicContact CZ-OE2 2.73Å; R126-E129 IonicContact NE-OE2 3.15Å; R126-E129 IonicContact NH1-OE1 2.66Å; R126-E129 PolarHBondContact NH1-OE1 2.58Å; R126-E129 VanDerWaalsContact NH1-OE1 3.15Å; R126-E129 IonicContact NH1-OE2 4Å; R126-E129 PolarHBondContact NH1-OE2 2.67Å; R126-E129 WeakPolarHBondContact O-CB 2.7Å; R126-E129 PolarHBondContact O-N 3.41Å; L127-E129 VanDerWaalsContact C-N 3.29Å; L127-E129 PolarHBondContact O-N 3.2Å; E129-I131 VanDerWaalsContact C-N 3.34Å; E129-A132 PolarHBondContact O-N 3.28Å; E129-K133 WeakPolarHBondContact O-CG 3.38Å; E129-K133 PolarHBondContact O-N 2.85Å; E129-K133 VanDerWaalsContact O-N 3.11Å; E129-K133 VanDerWaalsContact OE1-CE 3.28Å; E129-K133 WeakPolarHBondContact OE1-CE 3.35Å; E129-K133 IonicContact OE1-NZ 2.81Å; E129-K133 PolarHBondContact OE1-NZ 3.33Å; E129-L171 HydrophobicContact CB-CD1 3.79Å; E129-L171 HydrophobicContact CG-CD1 4.21Å; E129-L171 VanDerWaalsContact N-CD1 3.34Å |
| 130 | L | 92.9 | Very high | 91 | Very high | 15 Ų | 15 | 27.2 Ų | 27.2 | 8% | 0.079 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.2 | -39.3 | 176.5 | -66 | 174.9 | 0 | 0 | 0 | 111.7 | R126 L127 L128 K133 S134 P348 Q349 I352 | R126-L130 HydrophobicContact CG-CD1 4.31Å; R126-L130 HydrophobicContact CG-CG 4.45Å; R126-L130 WeakPolarHBondContact O-CG 3.12Å; R126-L130 PolarHBondContact O-N 3.13Å; L127-L130 PolarHBondContact O-N 3.17Å; L128-L130 PolarHBondContact O-N 3.21Å; L130-K133 PolarHBondContact O-N 3.46Å; L130-S134 PolarHBondContact O-N 2.76Å; L130-S134 PolarHBondContact O-OG 3.11Å; L130-P348 HydrophobicContact CD1-CB 3.8Å; L130-Q349 HydrophobicContact CD1-CB 4.09Å; L130-I352 HydrophobicContact CB-CD1 3.46Å; L130-I352 VanDerWaalsContact CB-CD1 3.46Å; L130-I352 HydrophobicContact CD1-CD1 4.1Å; L130-I352 HydrophobicContact CG-CD1 4.43Å |
| 131 | I | 93.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | I | π-helix | trans | -63.5 | -46.5 | 174.9 | -68.1 | 168.3 | 0 | 0 | 0 | 110.5 | F106 L127 L128 E129 K133 S134 Q135 L136 L139 Y147 I352 | F106-I131 HydrophobicContact CD2-CD1 4.01Å; F106-I131 HydrophobicContact CE2-CD1 3.86Å; F106-I131 HydrophobicContact CZ-CD1 4.43Å; L127-I131 HydrophobicContact CD1-CD1 4.11Å; L127-I131 HydrophobicContact CD1-CG1 4.39Å; L127-I131 HydrophobicContact CG-CD1 4.03Å; L127-I131 WeakPolarHBondContact O-CG1 3.37Å; L127-I131 PolarHBondContact O-N 3.49Å; L128-I131 PolarHBondContact O-N 3.2Å; E129-I131 VanDerWaalsContact C-N 3.34Å; I131-K133 VanDerWaalsContact C-N 3.26Å; I131-K133 PolarHBondContact O-N 2.86Å; I131-S134 PolarHBondContact O-N 3.18Å; I131-Q135 HydrophobicContact CG2-CB 4.38Å; I131-Q135 CarbonylContact O-C 3.55Å; I131-Q135 PolarHBondContact O-N 2.82Å; I131-L136 HydrophobicContact CG2-CB 4.49Å; I131-L136 HydrophobicContact CG2-CD1 4.36Å; I131-L136 PolarHBondContact O-N 3.33Å; I131-L139 HydrophobicContact CG2-CD1 3.69Å; I131-Y147 HydrophobicContact CB-CD2 4.25Å; I131-Y147 HydrophobicContact CB-CE2 3.93Å; I131-Y147 HydrophobicContact CD1-CD2 4.47Å; I131-Y147 HydrophobicContact CG2-CD2 3.68Å; I131-Y147 HydrophobicContact CG2-CE2 3.71Å; I131-I352 HydrophobicContact CG1-CD1 4.3Å |
| 132 | A | 92.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | I | π-helix | trans | -57.5 | -37.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L128 E129 L171 L175 S178 | L128-A132 WeakPolarHBondContact O-CB 3.47Å; L128-A132 PolarHBondContact O-N 3.15Å; E129-A132 PolarHBondContact O-N 3.28Å; A132-L171 HydrophobicContact CB-CD1 4.41Å; A132-L175 HydrophobicContact CB-CB 4.08Å; A132-L175 HydrophobicContact CB-CD1 3.95Å; A132-S178 WeakPolarHBondContact O-CB 3.31Å; A132-S178 PolarHBondContact O-OG 2.86Å |
| 133 | K | 90.6 | Very high | 90.9 | Very high | 103 Ų | 103 | 29 Ų | 29 | 45% | 0.448 | 17% | 0.172 | S | C | . | . | I | π-helix | trans | -70.7 | -34 | -177.8 | -76.5 | 177.7 | -175.5 | 171.6 | 0 | 114.4 | E129 L130 I131 T174 | E129-K133 WeakPolarHBondContact O-CG 3.38Å; E129-K133 PolarHBondContact O-N 2.85Å; E129-K133 VanDerWaalsContact O-N 3.11Å; E129-K133 VanDerWaalsContact OE1-CE 3.28Å; E129-K133 WeakPolarHBondContact OE1-CE 3.35Å; E129-K133 IonicContact OE1-NZ 2.81Å; E129-K133 PolarHBondContact OE1-NZ 3.33Å; L130-K133 PolarHBondContact O-N 3.46Å; I131-K133 VanDerWaalsContact C-N 3.26Å; I131-K133 PolarHBondContact O-N 2.86Å; K133-T174 HydrophobicContact CD-CG2 4.25Å; K133-T174 HydrophobicContact CG-CG2 3.43Å; K133-T174 VanDerWaalsContact CG-CG2 3.43Å |
| 134 | S | 84.9 | Confident | 90.8 | Very high | 74 Ų | 74 | 29.1 Ų | 29.1 | 52% | 0.517 | 17% | 0.173 | S | C | . | . | I | π-helix | trans | -149.8 | -22 | -167.1 | 62.6 | 0 | 0 | 0 | 0 | 116.6 | L130 I131 | L130-S134 PolarHBondContact O-N 2.76Å; L130-S134 PolarHBondContact O-OG 3.11Å; I131-S134 PolarHBondContact O-N 3.18Å |
| 135 | Q | 87.2 | Confident | 90.6 | Very high | 37 Ų | 37 | 33.7 Ų | 33.7 | 17% | 0.173 | 19% | 0.193 | C | C | . | . | I | π-helix | trans | -109.5 | -13.1 | -170.7 | -56.4 | -59 | -33.3 | 0 | 0 | 113.8 | L102 I131 P137 S138 L139 I352 | L102-Q135 HydrophobicContact CD2-CB 4.05Å; L102-Q135 HydrophobicContact CD2-CG 4.18Å; I131-Q135 HydrophobicContact CG2-CB 4.38Å; I131-Q135 CarbonylContact O-C 3.55Å; I131-Q135 PolarHBondContact O-N 2.82Å; Q135-P137 VanDerWaalsContact C-N 3.29Å; Q135-P137 VanDerWaalsContact O-N 3.16Å; Q135-S138 PolarHBondContact O-N 3.45Å; Q135-S138 PolarHBondContact O-OG 3.2Å; Q135-S138 PolarHBondContact OE1-OG 3.36Å; Q135-L139 WeakPolarHBondContact O-CG 3.39Å; Q135-L139 PolarHBondContact O-N 3.08Å; Q135-I352 HydrophobicContact CG-CG2 3.96Å |
| 136 | L | 88.3 | Confident | 90.6 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -51.5 | -42.3 | -178.1 | -168.7 | 69.3 | 0 | 0 | 0 | 113.5 | I131 L139 Q144 Y147 L175 L179 W198 | I131-L136 HydrophobicContact CG2-CB 4.49Å; I131-L136 HydrophobicContact CG2-CD1 4.36Å; I131-L136 PolarHBondContact O-N 3.33Å; L136-L139 PolarHBondContact O-N 2.84Å; L136-Q144 HydrophobicContact CD1-CG 4.41Å; L136-Q144 WeakPolarHBondContact O-CG 3.19Å; L136-Q144 PolarHBondContact O-NE2 3.35Å; L136-Y147 HydrophobicContact CD1-CD1 3.8Å; L136-Y147 HydrophobicContact CD1-CD2 4.43Å; L136-Y147 HydrophobicContact CD1-CE1 4.17Å; L136-Y147 HydrophobicContact CD1-CG 3.98Å; L136-L175 HydrophobicContact CD2-CD1 3.74Å; L136-L179 HydrophobicContact CD2-CD2 3.81Å; L136-W198 HydrophobicContact CD2-CH2 4.33Å; L136-W198 HydrophobicContact CD2-CZ3 4.3Å |
| 137 | P | 86.9 | Confident | 90.6 | Very high | 33 Ų | 33 | 31 Ų | 31 | 21% | 0.214 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -74.5 | -22.2 | 178.5 | -12.4 | 29.2 | 0 | 0 | 0 | 114.2 | Q135 L139 L182 V190 | Q135-P137 VanDerWaalsContact C-N 3.29Å; Q135-P137 VanDerWaalsContact O-N 3.16Å; P137-L139 VanDerWaalsContact C-N 3.31Å; P137-L182 HydrophobicContact CG-CD1 3.75Å; P137-L182 HydrophobicContact CG-CD2 3.86Å; P137-L182 HydrophobicContact CG-CG 4.49Å; P137-V190 HydrophobicContact CB-CB 3.92Å; P137-V190 HydrophobicContact CB-CG1 3.26Å; P137-V190 HydrophobicContact CG-CG1 4.45Å |
| 138 | S | 86.9 | Confident | 90.6 | Very high | 78 Ų | 78 | 31.5 Ų | 31.5 | 55% | 0.545 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -79.9 | -14.6 | 177.3 | 68.8 | 0 | 0 | 0 | 0 | 112.8 | Q135 | Q135-S138 PolarHBondContact O-N 3.45Å; Q135-S138 PolarHBondContact O-OG 3.2Å; Q135-S138 PolarHBondContact OE1-OG 3.36Å |
| 139 | L | 89.2 | Confident | 90.5 | Very high | 6 Ų | 6 | 33.7 Ų | 33.7 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -74.4 | 146.7 | 176.9 | -65.6 | -176.5 | 0 | 0 | 0 | 112.5 | L102 I131 Q135 L136 P137 A143 Q144 | L102-L139 HydrophobicContact CB-CD2 4.42Å; L102-L139 HydrophobicContact CD2-CD2 4.01Å; L102-L139 HydrophobicContact CG-CD2 3.98Å; I131-L139 HydrophobicContact CG2-CD1 3.69Å; Q135-L139 WeakPolarHBondContact O-CG 3.39Å; Q135-L139 PolarHBondContact O-N 3.08Å; L136-L139 PolarHBondContact O-N 2.84Å; P137-L139 VanDerWaalsContact C-N 3.31Å; L139-A143 HydrophobicContact CB-CB 3.97Å; L139-A143 HydrophobicContact CD1-CB 4.38Å; L139-A143 HydrophobicContact CD2-CB 4.33Å; L139-A143 HydrophobicContact CG-CB 4.46Å; L139-Q144 HydrophobicContact CB-CG 3.82Å; L139-Q144 PolarHBondContact O-NE2 2.89Å; L139-Q144 VanDerWaalsContact O-NE2 3.11Å |
| 140 | S | 88.8 | Confident | 90.4 | Very high | 60 Ų | 60 | 32.4 Ų | 32.4 | 42% | 0.42 | 19% | 0.19 | S | C | . | . | trans | -63.2 | 156.7 | 169.9 | 72.2 | 0 | 0 | 0 | 0 | 111.6 | V142 A143 Q144 | S140-V142 PolarHBondContact O-N 2.95Å; S140-V142 VanDerWaalsContact O-N 3.14Å; S140-A143 CarbonylContact O-C 3.57Å; S140-A143 WeakPolarHBondContact O-CA 3.43Å; S140-A143 WeakPolarHBondContact O-CB 3.38Å; S140-A143 PolarHBondContact O-N 2.77Å; S140-A143 PolarHBondContact OG-N 3.41Å; S140-Q144 PolarHBondContact O-N 2.87Å | ||
| 141 | G | 87.9 | Confident | 90.6 | Very high | 28 Ų | 28 | 31.7 Ų | 31.7 | 29% | 0.289 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -57.4 | -32.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114 | K145 | G141-K145 WeakPolarHBondContact O-CB 3.39Å; G141-K145 PolarHBondContact O-N 2.97Å |
| 142 | V | 88.4 | Confident | 90.6 | Very high | 88 Ų | 88 | 36.4 Ų | 36.4 | 53% | 0.533 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -67.8 | -43 | 173.9 | -179.2 | 0 | 0 | 0 | 0 | 110.9 | F80 S140 K145 N146 | F80-V142 HydrophobicContact CE1-CG1 4.32Å; S140-V142 PolarHBondContact O-N 2.95Å; S140-V142 VanDerWaalsContact O-N 3.14Å; V142-K145 PolarHBondContact O-N 2.92Å; V142-N146 PolarHBondContact O-N 2.82Å |
| 143 | A | 91.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -67.6 | -39.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | N107 L139 S140 K145 N146 Y147 | N107-A143 PolarHBondContact ND2-N 3.25Å; N107-A143 WeakPolarHBondContact OD1-CA 3.36Å; L139-A143 HydrophobicContact CB-CB 3.97Å; L139-A143 HydrophobicContact CD1-CB 4.38Å; L139-A143 HydrophobicContact CD2-CB 4.33Å; L139-A143 HydrophobicContact CG-CB 4.46Å; S140-A143 CarbonylContact O-C 3.57Å; S140-A143 WeakPolarHBondContact O-CA 3.43Å; S140-A143 WeakPolarHBondContact O-CB 3.38Å; S140-A143 PolarHBondContact O-N 2.77Å; S140-A143 PolarHBondContact OG-N 3.41Å; A143-K145 VanDerWaalsContact C-N 3.32Å; A143-K145 PolarHBondContact O-N 3.36Å; A143-N146 PolarHBondContact O-N 3.33Å; A143-Y147 WeakPolarHBondContact O-CB 3.4Å; A143-Y147 PolarHBondContact O-N 3.3Å |
| 144 | Q | 91.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.7 | -39.6 | 172.6 | -68.7 | 176 | -3.4 | 0 | 0 | 111.6 | L136 L139 S140 M148 V192 W198 | L136-Q144 HydrophobicContact CD1-CG 4.41Å; L136-Q144 WeakPolarHBondContact O-CG 3.19Å; L136-Q144 PolarHBondContact O-NE2 3.35Å; L139-Q144 HydrophobicContact CB-CG 3.82Å; L139-Q144 PolarHBondContact O-NE2 2.89Å; L139-Q144 VanDerWaalsContact O-NE2 3.11Å; S140-Q144 PolarHBondContact O-N 2.87Å; Q144-M148 PolarHBondContact O-N 3.27Å; Q144-V192 VanDerWaalsContact OE1-N 3.12Å; Q144-W198 HydrophobicContact CB-CH2 4.32Å; Q144-W198 HydrophobicContact CB-CZ2 4.32Å |
| 145 | K | 90.6 | Very high | 91.3 | Very high | 96 Ų | 96 | 32.8 Ų | 32.8 | 42% | 0.417 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -64.4 | -45.6 | 173 | -177.5 | 179.7 | 178 | 178.5 | 0 | 111.4 | G141 V142 A143 Y147 M148 N149 | G141-K145 WeakPolarHBondContact O-CB 3.39Å; G141-K145 PolarHBondContact O-N 2.97Å; V142-K145 PolarHBondContact O-N 2.92Å; A143-K145 VanDerWaalsContact C-N 3.32Å; A143-K145 PolarHBondContact O-N 3.36Å; K145-Y147 VanDerWaalsContact C-N 3.31Å; K145-Y147 PolarHBondContact O-N 3.46Å; K145-M148 PolarHBondContact O-N 3.25Å; K145-N149 VanDerWaalsContact O-CG 3.28Å; K145-N149 PolarHBondContact O-N 3.45Å; K145-N149 VanDerWaalsContact O-N 3.07Å; K145-N149 PolarHBondContact O-ND2 3.08Å; K145-N149 PolarHBondContact O-OD1 3.38Å |
| 146 | N | 92.6 | Very high | 91.6 | Very high | 3 Ų | 3 | 35.7 Ų | 35.7 | 2% | 0.016 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.4 | -40.1 | 177.6 | -165.7 | 24.8 | 0 | 0 | 0 | 112 | F80 F106 N107 V142 A143 M148 N149 I150 | F80-N146 HydrophobicContact CD1-CB 4.13Å; F80-N146 HydrophobicContact CE1-CB 3.41Å; F80-N146 VanDerWaalsContact CE1-CB 3.41Å; F80-N146 HydrophobicContact CE2-CB 4.49Å; F80-N146 WeakPolarHBondContact CE2-OD1 3.25Å; F80-N146 HydrophobicContact CZ-CB 3.61Å; F80-N146 WeakPolarHBondContact CZ-OD1 3.44Å; F106-N146 HydrophobicContact CE1-CB 4.38Å; F106-N146 PolarHBondContact O-ND2 3.11Å; N107-N146 WeakPolarHBondContact OD1-CB 3.47Å; N107-N146 PolarHBondContact OD1-ND2 3.48Å; V142-N146 PolarHBondContact O-N 2.82Å; A143-N146 PolarHBondContact O-N 3.33Å; N146-M148 VanDerWaalsContact C-N 3.33Å; N146-M148 PolarHBondContact O-N 3.37Å; N146-N149 WeakPolarHBondContact O-CB 3.36Å; N146-N149 PolarHBondContact O-N 2.89Å; N146-N149 VanDerWaalsContact O-N 3.16Å; N146-I150 WeakPolarHBondContact O-CB 3.49Å; N146-I150 VanDerWaalsContact O-CG1 3.31Å; N146-I150 WeakPolarHBondContact O-CG1 3.4Å; N146-I150 PolarHBondContact O-N 2.82Å |
| 147 | Y | 94.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -55 | -49.4 | 175.3 | 173.6 | -84.3 | 0 | 0 | 0 | 111 | F106 L128 I131 L136 A143 K145 N149 I150 L151 L175 | F106-Y147 HydrophobicContact CZ-CD2 4.3Å; L128-Y147 HydrophobicContact CB-CE2 3.9Å; L128-Y147 HydrophobicContact CD2-CD2 3.44Å; L128-Y147 VanDerWaalsContact CD2-CD2 3.44Å; L128-Y147 HydrophobicContact CD2-CE2 3.36Å; L128-Y147 HydrophobicContact CD2-CG 4.36Å; L128-Y147 HydrophobicContact CG-CE2 4.22Å; L128-Y147 PolarHBondContact O-OH 3.21Å; I131-Y147 HydrophobicContact CB-CD2 4.25Å; I131-Y147 HydrophobicContact CB-CE2 3.93Å; I131-Y147 HydrophobicContact CD1-CD2 4.47Å; I131-Y147 HydrophobicContact CG2-CD2 3.68Å; I131-Y147 HydrophobicContact CG2-CE2 3.71Å; L136-Y147 HydrophobicContact CD1-CD1 3.8Å; L136-Y147 HydrophobicContact CD1-CD2 4.43Å; L136-Y147 HydrophobicContact CD1-CE1 4.17Å; L136-Y147 HydrophobicContact CD1-CG 3.98Å; A143-Y147 WeakPolarHBondContact O-CB 3.4Å; A143-Y147 PolarHBondContact O-N 3.3Å; K145-Y147 VanDerWaalsContact C-N 3.31Å; K145-Y147 PolarHBondContact O-N 3.46Å; Y147-N149 PolarHBondContact O-N 2.95Å; Y147-I150 PolarHBondContact O-N 3.12Å; Y147-L151 HydrophobicContact CE1-CD2 4.1Å; Y147-L151 WeakPolarHBondContact O-CB 3.45Å; Y147-L151 PolarHBondContact O-N 3.14Å; Y147-L175 HydrophobicContact CE1-CD1 4.04Å; Y147-L175 HydrophobicContact CE1-CD2 3.91Å |
| 148 | M | 93.9 | Very high | 91.9 | Very high | 11 Ų | 11 | 36 Ų | 36 | 5% | 0.054 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.1 | -38.7 | 177.9 | -69.4 | -61.6 | -177 | 0 | 0 | 112.6 | Q144 K145 N146 L151 E152 L175 L179 W198 R201 I205 | Q144-M148 PolarHBondContact O-N 3.27Å; K145-M148 PolarHBondContact O-N 3.25Å; N146-M148 VanDerWaalsContact C-N 3.33Å; N146-M148 PolarHBondContact O-N 3.37Å; M148-L151 PolarHBondContact O-N 2.85Å; M148-L151 HydrophobicContact SD-CD2 4.25Å; M148-E152 WeakPolarHBondContact O-CB 3Å; M148-E152 PolarHBondContact O-N 3.41Å; M148-L175 HydrophobicContact CE-CD1 4.47Å; M148-L175 HydrophobicContact CE-CD2 4.14Å; M148-L175 HydrophobicContact SD-CD2 4.38Å; M148-L179 HydrophobicContact CE-CD1 4.23Å; M148-W198 HydrophobicContact CE-CE3 4.29Å; M148-W198 HydrophobicContact CE-CH2 4.21Å; M148-W198 HydrophobicContact CE-CZ3 3.46Å; M148-W198 VanDerWaalsContact CE-CZ3 3.46Å; M148-R201 HydrophobicContact CE-CB 4.47Å; M148-I205 HydrophobicContact CE-CD1 4.48Å |
| 149 | N | 93.1 | Very high | 92 | Very high | 46 Ų | 46 | 34 Ų | 34 | 25% | 0.246 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66 | -40.5 | 176.3 | -65.7 | -17.2 | 0 | 0 | 0 | 112.6 | K145 N146 Y147 R153 | K145-N149 VanDerWaalsContact O-CG 3.28Å; K145-N149 PolarHBondContact O-N 3.45Å; K145-N149 VanDerWaalsContact O-N 3.07Å; K145-N149 PolarHBondContact O-ND2 3.08Å; K145-N149 PolarHBondContact O-OD1 3.38Å; N146-N149 WeakPolarHBondContact O-CB 3.36Å; N146-N149 PolarHBondContact O-N 2.89Å; N146-N149 VanDerWaalsContact O-N 3.16Å; Y147-N149 PolarHBondContact O-N 2.95Å; N149-R153 WeakPolarHBondContact O-CG 3.44Å; N149-R153 PolarHBondContact O-N 3.15Å; N149-R153 VanDerWaalsContact O-N 3.16Å |
| 150 | I | 93.9 | Very high | 92 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.6 | -44.1 | 176.5 | -70.7 | 169.1 | 0 | 0 | 0 | 108.9 | F106 F111 I115 V124 L128 N146 Y147 E152 R153 V154 | F106-I150 HydrophobicContact CE1-CD1 3.62Å; F106-I150 HydrophobicContact CE2-CD1 4.26Å; F106-I150 HydrophobicContact CZ-CD1 3.47Å; F106-I150 VanDerWaalsContact CZ-CD1 3.47Å; F111-I150 HydrophobicContact CB-CD1 3.84Å; I115-I150 HydrophobicContact CD1-CB 4.38Å; I115-I150 HydrophobicContact CD1-CG2 3.55Å; I115-I150 HydrophobicContact CG1-CG2 4.45Å; V124-I150 HydrophobicContact CG1-CG2 4.3Å; L128-I150 HydrophobicContact CD1-CG2 3.98Å; L128-I150 HydrophobicContact CD2-CG2 4.07Å; N146-I150 WeakPolarHBondContact O-CB 3.49Å; N146-I150 VanDerWaalsContact O-CG1 3.31Å; N146-I150 WeakPolarHBondContact O-CG1 3.4Å; N146-I150 PolarHBondContact O-N 2.82Å; Y147-I150 PolarHBondContact O-N 3.12Å; I150-E152 PolarHBondContact O-N 3.29Å; I150-R153 WeakPolarHBondContact O-CB 3.36Å; I150-R153 PolarHBondContact O-N 2.92Å; I150-V154 WeakPolarHBondContact O-CG2 3.37Å; I150-V154 PolarHBondContact O-N 3.29Å |
| 151 | L | 95.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59 | -46.7 | 176.3 | 179.4 | 60.4 | 0 | 0 | 0 | 112.2 | Y147 M148 R153 V154 V155 L171 L172 L175 W208 | Y147-L151 HydrophobicContact CE1-CD2 4.1Å; Y147-L151 WeakPolarHBondContact O-CB 3.45Å; Y147-L151 PolarHBondContact O-N 3.14Å; M148-L151 PolarHBondContact O-N 2.85Å; M148-L151 HydrophobicContact SD-CD2 4.25Å; L151-R153 VanDerWaalsContact C-N 3.29Å; L151-R153 PolarHBondContact O-N 3.08Å; L151-V154 WeakPolarHBondContact O-CB 3.46Å; L151-V154 PolarHBondContact O-N 2.78Å; L151-V154 VanDerWaalsContact O-N 3.08Å; L151-V155 HydrophobicContact CD1-CG2 4.48Å; L151-V155 WeakPolarHBondContact O-CG2 3.24Å; L151-V155 PolarHBondContact O-N 3.07Å; L151-L171 HydrophobicContact CD1-CD2 3.63Å; L151-L171 HydrophobicContact CD1-CG 4.18Å; L151-L172 HydrophobicContact CD1-CD2 3.94Å; L151-L172 HydrophobicContact CD2-CD2 3.97Å; L151-L172 HydrophobicContact CG-CD2 4.17Å; L151-L175 HydrophobicContact CD2-CD2 3.31Å; L151-W208 HydrophobicContact CD2-CZ3 3.95Å; L151-W208 HydrophobicContact CG-CZ3 3.97Å |
| 152 | E | 94.5 | Very high | 91.6 | Very high | 98 Ų | 98 | 39.3 Ų | 39.3 | 46% | 0.458 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -56 | -43.7 | 174.7 | -179.6 | 174.7 | -159.1 | 0 | 0 | 111.6 | M148 I150 V154 V155 Q156 W208 | M148-E152 WeakPolarHBondContact O-CB 3Å; M148-E152 PolarHBondContact O-N 3.41Å; I150-E152 PolarHBondContact O-N 3.29Å; E152-V154 VanDerWaalsContact C-N 3.34Å; E152-V154 PolarHBondContact O-N 3.42Å; E152-V155 PolarHBondContact O-N 2.95Å; E152-Q156 PolarHBondContact O-N 3.24Å; E152-W208 HydrophobicContact CB-CH2 3.76Å; E152-W208 HydrophobicContact CB-CZ2 3.63Å; E152-W208 HydrophobicContact CG-CH2 4.35Å; E152-W208 HydrophobicContact CG-CZ2 3.7Å |
| 153 | R | 93.3 | Very high | 91.3 | Very high | 100 Ų | 100 | 35.7 Ų | 35.7 | 38% | 0.377 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -64.6 | -36.3 | 175.8 | -73 | 177.8 | 174 | 163.8 | 3.2 | 113.1 | S112 I115 N149 I150 L151 K157 | S112-R153 PolarHBondContact OG-NH1 3.18Å; I115-R153 HydrophobicContact CD1-CB 4.13Å; N149-R153 WeakPolarHBondContact O-CG 3.44Å; N149-R153 PolarHBondContact O-N 3.15Å; N149-R153 VanDerWaalsContact O-N 3.16Å; I150-R153 WeakPolarHBondContact O-CB 3.36Å; I150-R153 PolarHBondContact O-N 2.92Å; L151-R153 VanDerWaalsContact C-N 3.29Å; L151-R153 PolarHBondContact O-N 3.08Å; R153-K157 WeakPolarHBondContact O-CB 3.45Å; R153-K157 PolarHBondContact O-N 3.4Å |
| 154 | V | 94.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.4 | -47.7 | 173.7 | 170.6 | 0 | 0 | 0 | 0 | 110.2 | I115 F121 V125 L128 I150 L151 E152 K157 V158 I168 | I115-V154 HydrophobicContact CD1-CG2 3.88Å; I115-V154 HydrophobicContact CG1-CG2 3.8Å; I115-V154 HydrophobicContact CG2-CG2 3.96Å; F121-V154 HydrophobicContact CE2-CG1 4.01Å; F121-V154 HydrophobicContact CZ-CG1 3.96Å; V125-V154 HydrophobicContact CG2-CG1 4.02Å; L128-V154 HydrophobicContact CD1-CG2 3.98Å; I150-V154 WeakPolarHBondContact O-CG2 3.37Å; I150-V154 PolarHBondContact O-N 3.29Å; L151-V154 WeakPolarHBondContact O-CB 3.46Å; L151-V154 PolarHBondContact O-N 2.78Å; L151-V154 VanDerWaalsContact O-N 3.08Å; E152-V154 VanDerWaalsContact C-N 3.34Å; E152-V154 PolarHBondContact O-N 3.42Å; V154-K157 PolarHBondContact O-N 3.06Å; V154-V158 WeakPolarHBondContact O-CG2 3.48Å; V154-V158 PolarHBondContact O-N 2.93Å; V154-I168 HydrophobicContact CG1-CD1 3.29Å; V154-I168 HydrophobicContact CG1-CG1 3.98Å |
| 155 | V | 94.3 | Very high | 90.7 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60 | -49.6 | 178.7 | 174.7 | 0 | 0 | 0 | 0 | 110.3 | L151 E152 K157 V158 L159 I168 L172 W208 | L151-V155 HydrophobicContact CD1-CG2 4.48Å; L151-V155 WeakPolarHBondContact O-CG2 3.24Å; L151-V155 PolarHBondContact O-N 3.07Å; E152-V155 PolarHBondContact O-N 2.95Å; V155-K157 VanDerWaalsContact C-N 3.35Å; V155-K157 PolarHBondContact O-N 2.89Å; V155-V158 PolarHBondContact O-N 2.92Å; V155-V158 VanDerWaalsContact O-N 3.11Å; V155-L159 HydrophobicContact CG1-CD1 3.9Å; V155-L159 HydrophobicContact CG1-CG 4.32Å; V155-L159 WeakPolarHBondContact O-CG 3.42Å; V155-L159 PolarHBondContact O-N 3.22Å; V155-I168 HydrophobicContact CG2-CG2 3.99Å; V155-L172 HydrophobicContact CG2-CD1 4.24Å; V155-L172 HydrophobicContact CG2-CD2 4.3Å; V155-W208 HydrophobicContact CB-CD2 4.46Å; V155-W208 HydrophobicContact CB-CG 4.41Å; V155-W208 HydrophobicContact CG1-CB 3.93Å; V155-W208 HydrophobicContact CG1-CD2 4.32Å; V155-W208 HydrophobicContact CG1-CG 3.78Å; V155-W208 HydrophobicContact CG2-CB 4.38Å; V155-W208 HydrophobicContact CG2-CD2 4.1Å; V155-W208 HydrophobicContact CG2-CE3 4.07Å; V155-W208 HydrophobicContact CG2-CG 4.25Å |
| 156 | Q | 92.3 | Very high | 90.5 | Very high | 99 Ų | 99 | 34.1 Ų | 34.1 | 46% | 0.463 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -59 | -45.2 | 179.3 | -172.1 | 60.4 | 47.8 | 0 | 0 | 111.9 | E152 V158 L159 D160 | E152-Q156 PolarHBondContact O-N 3.24Å; Q156-V158 VanDerWaalsContact C-N 3.28Å; Q156-V158 PolarHBondContact O-N 3.27Å; Q156-L159 PolarHBondContact O-N 3.06Å; Q156-D160 PolarHBondContact NE2-OD1 3.43Å; Q156-D160 PolarHBondContact O-N 3.14Å |
| 157 | K | 91.1 | Very high | 90.3 | Very high | 37 Ų | 37 | 35.9 Ų | 35.9 | 16% | 0.161 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.4 | -40.9 | 176.5 | 177.7 | 177.2 | 172 | 64.3 | 0 | 111.9 | I115 K116 F121 R153 V154 V155 D160 D161 | I115-K157 HydrophobicContact CG2-CB 4.37Å; I115-K157 HydrophobicContact CG2-CD 3.72Å; I115-K157 WeakPolarHBondContact O-CD 3.44Å; I115-K157 WeakPolarHBondContact O-CE 3.45Å; K116-K157 PolarHBondContact O-NZ 3.44Å; F121-K157 HydrophobicContact CD2-CD 3.87Å; F121-K157 HydrophobicContact CE2-CD 3.89Å; R153-K157 WeakPolarHBondContact O-CB 3.45Å; R153-K157 PolarHBondContact O-N 3.4Å; V154-K157 PolarHBondContact O-N 3.06Å; V155-K157 VanDerWaalsContact C-N 3.35Å; V155-K157 PolarHBondContact O-N 2.89Å; K157-D160 PolarHBondContact O-N 3.47Å; K157-D161 WeakPolarHBondContact CE-OD2 3.25Å; K157-D161 WeakPolarHBondContact CG-OD2 3.45Å; K157-D161 IonicContact NZ-OD2 3.99Å; K157-D161 PolarHBondContact NZ-OD2 2.58Å; K157-D161 WeakPolarHBondContact O-CB 3.48Å; K157-D161 PolarHBondContact O-N 2.71Å |
| 158 | V | 90.6 | Very high | 90.2 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 2% | 0.018 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -71.8 | -34.4 | 179.1 | 168.1 | 0 | 0 | 0 | 0 | 112.1 | F121 V154 V155 Q156 D160 Q162 Q163 V165 I168 L212 | F121-V158 HydrophobicContact CE1-CG2 4.41Å; F121-V158 HydrophobicContact CE2-CG2 4.28Å; F121-V158 HydrophobicContact CZ-CG2 3.56Å; V154-V158 WeakPolarHBondContact O-CG2 3.48Å; V154-V158 PolarHBondContact O-N 2.93Å; V155-V158 PolarHBondContact O-N 2.92Å; V155-V158 VanDerWaalsContact O-N 3.11Å; Q156-V158 VanDerWaalsContact C-N 3.28Å; Q156-V158 PolarHBondContact O-N 3.27Å; V158-D160 VanDerWaalsContact C-N 3.31Å; V158-Q162 WeakPolarHBondContact O-CA 3.44Å; V158-Q162 PolarHBondContact O-N 3.22Å; V158-Q163 WeakPolarHBondContact CG1-O 3.48Å; V158-Q163 WeakPolarHBondContact CG2-O 3.36Å; V158-V165 HydrophobicContact CG1-CB 4.46Å; V158-V165 HydrophobicContact CG1-CG2 3.96Å; V158-I168 HydrophobicContact CB-CG1 4.35Å; V158-I168 HydrophobicContact CG1-CG1 4.41Å; V158-I168 HydrophobicContact CG2-CD1 4.5Å; V158-I168 HydrophobicContact CG2-CG1 3.68Å; V158-L212 HydrophobicContact CG1-CD2 3.79Å |
| 159 | L | 89.9 | Confident | 90.1 | Very high | 35 Ų | 35 | 37 Ų | 37 | 18% | 0.183 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.3 | -39.5 | 171.8 | -68.8 | 169.5 | 0 | 0 | 0 | 111.3 | V155 Q156 Q211 L212 I215 | V155-L159 HydrophobicContact CG1-CD1 3.9Å; V155-L159 HydrophobicContact CG1-CG 4.32Å; V155-L159 WeakPolarHBondContact O-CG 3.42Å; V155-L159 PolarHBondContact O-N 3.22Å; Q156-L159 PolarHBondContact O-N 3.06Å; L159-Q211 HydrophobicContact CD1-CB 4.33Å; L159-Q211 HydrophobicContact CD2-CB 3.94Å; L159-L212 HydrophobicContact CD2-CD2 3.91Å; L159-L212 HydrophobicContact CG-CD2 4.27Å; L159-I215 HydrophobicContact CD2-CD1 4.05Å; L159-I215 HydrophobicContact CD2-CG1 4.03Å |
| 160 | D | 87.9 | Confident | 90 | Very high | 107 Ų | 107 | 38.1 Ų | 38.1 | 57% | 0.572 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -74.7 | -50.5 | -179.8 | -62.9 | -19.3 | 0 | 0 | 0 | 112.7 | Q156 K157 V158 | Q156-D160 PolarHBondContact NE2-OD1 3.43Å; Q156-D160 PolarHBondContact O-N 3.14Å; K157-D160 PolarHBondContact O-N 3.47Å; V158-D160 VanDerWaalsContact C-N 3.31Å |
| 161 | D | 84.8 | Confident | 90 | Very high | 69 Ų | 69 | 38 Ų | 38 | 37% | 0.369 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -83.8 | -17.8 | -174.8 | -69.6 | -24.5 | 0 | 0 | 0 | 112.5 | K157 Q163 | K157-D161 WeakPolarHBondContact CE-OD2 3.25Å; K157-D161 WeakPolarHBondContact CG-OD2 3.45Å; K157-D161 IonicContact NZ-OD2 3.99Å; K157-D161 PolarHBondContact NZ-OD2 2.58Å; K157-D161 WeakPolarHBondContact O-CB 3.48Å; K157-D161 PolarHBondContact O-N 2.71Å; D161-Q163 HydrophobicContact CB-CG 4.33Å; D161-Q163 WeakPolarHBondContact O-CG 3.34Å; D161-Q163 PolarHBondContact O-N 2.97Å; D161-Q163 VanDerWaalsContact O-N 3.13Å |
| 162 | Q | 84.8 | Confident | 90 | Very high | 30 Ų | 30 | 38 Ų | 38 | 14% | 0.14 | 18% | 0.182 | C | C | . | . | trans | 58.9 | 15.6 | -175.6 | -55.3 | -176.2 | -26.7 | 0 | 0 | 114.5 | P11 V158 I215 Q216 N218 | P11-Q162 WeakPolarHBondContact CD-O 3.49Å; P11-Q162 WeakPolarHBondContact CG-O 3.48Å; V158-Q162 WeakPolarHBondContact O-CA 3.44Å; V158-Q162 PolarHBondContact O-N 3.22Å; Q162-I215 HydrophobicContact CB-CG2 4.41Å; Q162-I215 HydrophobicContact CG-CG2 4.13Å; Q162-Q216 PolarHBondContact NE2-O 3.18Å; Q162-Q216 PolarHBondContact OE1-O 3.16Å; Q162-N218 PolarHBondContact NE2-ND2 3.05Å; Q162-N218 PolarHBondContact OE1-ND2 3.37Å | ||
| 163 | Q | 82.6 | Confident | 90 | Very high | 11 Ų | 11 | 37.7 Ų | 37.7 | 5% | 0.051 | 18% | 0.181 | C | C | . | . | trans | -101.1 | 155.6 | -178.7 | -54.4 | -163.3 | -21 | 0 | 0 | 112.5 | P11 G12 N14 V158 D161 V165 | P11-Q163 HydrophobicContact CG-CG 4.31Å; G12-Q163 VanDerWaalsContact O-CD 3.23Å; G12-Q163 PolarHBondContact O-NE2 3.35Å; N14-Q163 PolarHBondContact ND2-NE2 3.26Å; N14-Q163 VanDerWaalsContact ND2-NE2 3.11Å; N14-Q163 PolarHBondContact OD1-NE2 3.16Å; V158-Q163 WeakPolarHBondContact CG1-O 3.48Å; V158-Q163 WeakPolarHBondContact CG2-O 3.36Å; D161-Q163 HydrophobicContact CB-CG 4.33Å; D161-Q163 WeakPolarHBondContact O-CG 3.34Å; D161-Q163 PolarHBondContact O-N 2.97Å; D161-Q163 VanDerWaalsContact O-N 3.13Å; Q163-V165 VanDerWaalsContact C-N 3.28Å; Q163-V165 PolarHBondContact O-N 3.27Å | ||
| 164 | N | 81.6 | Confident | 90 | Very high | 28 Ų | 28 | 34.7 Ų | 34.7 | 15% | 0.15 | 17% | 0.174 | C | C | . | . | S | Bend | trans | 56.6 | 35.5 | 174.7 | -54 | -61.7 | 0 | 0 | 0 | 114.5 | S10 F121 R166 P167 | S10-N164 VanDerWaalsContact OG-CA 3.23Å; S10-N164 WeakPolarHBondContact OG-CA 3.41Å; F121-N164 HydrophobicContact CD1-CB 4.41Å; F121-N164 HydrophobicContact CE1-CB 3.68Å; N164-R166 PolarHBondContact O-N 3.29Å; N164-P167 WeakPolarHBondContact O-CD 3.24Å |
| 165 | V | 87.3 | Confident | 90 | Very high | 4 Ų | 4 | 34.7 Ų | 34.7 | 2% | 0.024 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.1 | -45.6 | -176.4 | -179.4 | 0 | 0 | 0 | 0 | 112.3 | S10 V158 Q163 I168 K169 L212 I215 | S10-V165 PolarHBondContact OG-N 3Å; V158-V165 HydrophobicContact CG1-CB 4.46Å; V158-V165 HydrophobicContact CG1-CG2 3.96Å; Q163-V165 VanDerWaalsContact C-N 3.28Å; Q163-V165 PolarHBondContact O-N 3.27Å; V165-I168 PolarHBondContact O-N 2.74Å; V165-K169 HydrophobicContact CG1-CD 4.27Å; V165-K169 HydrophobicContact CG1-CG 4.39Å; V165-K169 PolarHBondContact O-N 2.9Å; V165-L212 HydrophobicContact CG1-CB 4.48Å; V165-I215 HydrophobicContact CG1-CD1 4.28Å; V165-I215 HydrophobicContact CG2-CD1 3.94Å |
| 166 | R | 87 | Confident | 90 | Very high | 32 Ų | 32 | 37.7 Ų | 37.7 | 12% | 0.121 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.1 | -51.2 | -176.3 | 179.9 | -166.3 | -67.5 | 150 | -3.5 | 112.9 | N164 I168 K169 E170 D244 D247 | N164-R166 PolarHBondContact O-N 3.29Å; R166-I168 PolarHBondContact O-N 3.43Å; R166-K169 PolarHBondContact O-N 2.64Å; R166-K169 VanDerWaalsContact O-N 3.14Å; R166-E170 HydrophobicContact CG-CG 4.39Å; R166-E170 WeakPolarHBondContact O-CG 3.46Å; R166-E170 PolarHBondContact O-N 2.92Å; R166-D244 IonicContact NH1-OD2 3.54Å; R166-D244 PolarHBondContact NH1-OD2 2.95Å; R166-D244 VanDerWaalsContact NH1-OD2 3.15Å; R166-D247 IonicContact CZ-OD1 2.75Å; R166-D247 IonicContact NH1-OD1 2.95Å; R166-D247 PolarHBondContact NH1-OD1 3.09Å; R166-D247 IonicContact NH2-OD1 3.67Å |
| 167 | P | 88.3 | Confident | 89.9 | Confident | 41 Ų | 41 | 37 Ų | 37 | 27% | 0.266 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -51.6 | -37.7 | 175 | -29.9 | 33.2 | 0 | 0 | 0 | 114.2 | V125 N164 L171 | V125-P167 HydrophobicContact CG1-CB 4.04Å; N164-P167 WeakPolarHBondContact O-CD 3.24Å; P167-L171 VanDerWaalsContact O-CB 3.31Å; P167-L171 WeakPolarHBondContact O-CB 3.36Å; P167-L171 PolarHBondContact O-N 2.95Å |
| 168 | I | 92.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -73.8 | -41 | 179.7 | -54.7 | -42.2 | 0 | 0 | 0 | 111.4 | F121 V125 V154 V155 V158 V165 R166 E170 L171 L172 L212 | F121-I168 HydrophobicContact CZ-CD1 4.14Å; V125-I168 HydrophobicContact CB-CD1 4.31Å; V125-I168 HydrophobicContact CG1-CD1 3.69Å; V125-I168 HydrophobicContact CG2-CD1 3.55Å; V154-I168 HydrophobicContact CG1-CD1 3.29Å; V154-I168 HydrophobicContact CG1-CG1 3.98Å; V155-I168 HydrophobicContact CG2-CG2 3.99Å; V158-I168 HydrophobicContact CB-CG1 4.35Å; V158-I168 HydrophobicContact CG1-CG1 4.41Å; V158-I168 HydrophobicContact CG2-CD1 4.5Å; V158-I168 HydrophobicContact CG2-CG1 3.68Å; V165-I168 PolarHBondContact O-N 2.74Å; R166-I168 PolarHBondContact O-N 3.43Å; I168-E170 VanDerWaalsContact C-N 3.31Å; I168-E170 PolarHBondContact O-N 3.15Å; I168-L171 WeakPolarHBondContact O-CB 3.01Å; I168-L171 PolarHBondContact O-N 3.26Å; I168-L172 HydrophobicContact CG2-CD1 4.14Å; I168-L172 HydrophobicContact CG2-CG 4.2Å; I168-L172 WeakPolarHBondContact O-CB 3.47Å; I168-L172 VanDerWaalsContact O-CG 3.29Å; I168-L172 WeakPolarHBondContact O-CG 3.33Å; I168-L172 PolarHBondContact O-N 3.06Å; I168-L212 HydrophobicContact CB-CD1 4.23Å; I168-L212 HydrophobicContact CG2-CD1 3.72Å |
| 169 | K | 91 | Very high | 89.8 | Confident | 33 Ų | 33 | 36.5 Ų | 36.5 | 14% | 0.143 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59 | -43.8 | 173.6 | -71.6 | -172 | 180 | -178.6 | 0 | 111.7 | W8 V165 R166 L172 Q173 L212 D213 | W8-K169 VanDerWaalsContact CG-NZ 3.34Å; V165-K169 HydrophobicContact CG1-CD 4.27Å; V165-K169 HydrophobicContact CG1-CG 4.39Å; V165-K169 PolarHBondContact O-N 2.9Å; R166-K169 PolarHBondContact O-N 2.64Å; R166-K169 VanDerWaalsContact O-N 3.14Å; K169-L172 PolarHBondContact O-N 2.68Å; K169-Q173 WeakPolarHBondContact O-CB 3.33Å; K169-Q173 PolarHBondContact O-N 3.48Å; K169-L212 HydrophobicContact CD-CB 4.47Å; K169-L212 VanDerWaalsContact CE-CB 3.5Å; K169-L212 WeakPolarHBondContact CE-O 3.41Å; K169-L212 HydrophobicContact CG-CB 4.11Å; K169-L212 HydrophobicContact CG-CD1 4.05Å; K169-L212 PolarHBondContact NZ-O 2.92Å; K169-D213 WeakPolarHBondContact CE-OD1 3.43Å; K169-D213 IonicContact NZ-OD1 3.74Å; K169-D213 PolarHBondContact NZ-OD1 3.45Å |
| 170 | E | 91.6 | Very high | 89.6 | Confident | 70 Ų | 70 | 36.3 Ų | 36.3 | 33% | 0.327 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -63.9 | -41.9 | 176.7 | -70.6 | 176.5 | 174.8 | 0 | 0 | 112.1 | R166 I168 T174 R246 | R166-E170 HydrophobicContact CG-CG 4.39Å; R166-E170 WeakPolarHBondContact O-CG 3.46Å; R166-E170 PolarHBondContact O-N 2.92Å; I168-E170 VanDerWaalsContact C-N 3.31Å; I168-E170 PolarHBondContact O-N 3.15Å; E170-T174 VanDerWaalsContact O-CB 3.28Å; E170-T174 WeakPolarHBondContact O-CB 3.14Å; E170-T174 PolarHBondContact O-N 2.89Å; E170-T174 PolarHBondContact O-OG1 2.73Å; E170-R246 IonicContact OE1-CZ 3.28Å; E170-R246 IonicContact OE1-NH1 2.86Å; E170-R246 PolarHBondContact OE1-NH1 3.29Å; E170-R246 IonicContact OE1-NH2 2.83Å |
| 171 | L | 94.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60 | -50.9 | 173.8 | 170.6 | 61.9 | 0 | 0 | 0 | 111.8 | V125 L128 E129 A132 L151 P167 I168 Q173 T174 L175 | V125-L171 HydrophobicContact CG1-CD2 4.39Å; L128-L171 HydrophobicContact CB-CD1 4.06Å; L128-L171 HydrophobicContact CB-CD2 3.97Å; L128-L171 HydrophobicContact CD1-CD2 4.3Å; E129-L171 HydrophobicContact CB-CD1 3.79Å; E129-L171 HydrophobicContact CG-CD1 4.21Å; E129-L171 VanDerWaalsContact N-CD1 3.34Å; A132-L171 HydrophobicContact CB-CD1 4.41Å; L151-L171 HydrophobicContact CD1-CD2 3.63Å; L151-L171 HydrophobicContact CD1-CG 4.18Å; P167-L171 VanDerWaalsContact O-CB 3.31Å; P167-L171 WeakPolarHBondContact O-CB 3.36Å; P167-L171 PolarHBondContact O-N 2.95Å; I168-L171 WeakPolarHBondContact O-CB 3.01Å; I168-L171 PolarHBondContact O-N 3.26Å; L171-Q173 PolarHBondContact O-N 3.47Å; L171-T174 PolarHBondContact O-N 2.99Å; L171-L175 WeakPolarHBondContact O-CB 3.01Å; L171-L175 PolarHBondContact O-N 2.61Å |
| 172 | L | 95.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.7 | -42.3 | 180 | -69.7 | 179.7 | 0 | 0 | 0 | 111.4 | L151 V155 I168 K169 L175 Y176 I205 W208 Q209 L212 | L151-L172 HydrophobicContact CD1-CD2 3.94Å; L151-L172 HydrophobicContact CD2-CD2 3.97Å; L151-L172 HydrophobicContact CG-CD2 4.17Å; V155-L172 HydrophobicContact CG2-CD1 4.24Å; V155-L172 HydrophobicContact CG2-CD2 4.3Å; I168-L172 HydrophobicContact CG2-CD1 4.14Å; I168-L172 HydrophobicContact CG2-CG 4.2Å; I168-L172 WeakPolarHBondContact O-CB 3.47Å; I168-L172 VanDerWaalsContact O-CG 3.29Å; I168-L172 WeakPolarHBondContact O-CG 3.33Å; I168-L172 PolarHBondContact O-N 3.06Å; K169-L172 PolarHBondContact O-N 2.68Å; L172-L175 PolarHBondContact O-N 2.96Å; L172-Y176 WeakPolarHBondContact O-CB 3.38Å; L172-Y176 PolarHBondContact O-N 3.32Å; L172-I205 HydrophobicContact CB-CG2 4.16Å; L172-I205 HydrophobicContact CD2-CG2 4.23Å; L172-W208 HydrophobicContact CD1-CB 3.84Å; L172-W208 HydrophobicContact CD2-CE3 3.91Å; L172-Q209 HydrophobicContact CB-CG 3.9Å; L172-Q209 HydrophobicContact CD1-CG 4Å; L172-L212 HydrophobicContact CD1-CD1 3.62Å |
| 173 | Q | 94.1 | Very high | 88.8 | Confident | 92 Ų | 92 | 32 Ų | 32 | 43% | 0.43 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -63.1 | -45 | 176.1 | -175.3 | 60.7 | 32 | 0 | 0 | 111.6 | K169 L171 L175 Y176 V177 | K169-Q173 WeakPolarHBondContact O-CB 3.33Å; K169-Q173 PolarHBondContact O-N 3.48Å; L171-Q173 PolarHBondContact O-N 3.47Å; Q173-L175 VanDerWaalsContact C-N 3.33Å; Q173-L175 PolarHBondContact O-N 3.19Å; Q173-Y176 PolarHBondContact O-N 3.39Å; Q173-V177 WeakPolarHBondContact O-CG2 3.46Å; Q173-V177 PolarHBondContact O-N 3.14Å |
| 174 | T | 93.7 | Very high | 88.4 | Confident | 37 Ų | 37 | 38.6 Ų | 38.6 | 23% | 0.227 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.8 | -45.2 | 177.7 | -61.4 | 0 | 0 | 0 | 0 | 111 | K133 E170 L171 S178 | K133-T174 HydrophobicContact CD-CG2 4.25Å; K133-T174 HydrophobicContact CG-CG2 3.43Å; K133-T174 VanDerWaalsContact CG-CG2 3.43Å; E170-T174 VanDerWaalsContact O-CB 3.28Å; E170-T174 WeakPolarHBondContact O-CB 3.14Å; E170-T174 PolarHBondContact O-N 2.89Å; E170-T174 PolarHBondContact O-OG1 2.73Å; L171-T174 PolarHBondContact O-N 2.99Å; T174-S178 VanDerWaalsContact O-CB 3.25Å; T174-S178 WeakPolarHBondContact O-CB 3.38Å; T174-S178 PolarHBondContact O-N 3.39Å |
| 175 | L | 94.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.1 | -45.6 | 177.3 | 178.4 | 63.6 | 0 | 0 | 0 | 111.6 | A132 L136 Y147 M148 L151 L171 L172 Q173 S178 L179 I205 | A132-L175 HydrophobicContact CB-CB 4.08Å; A132-L175 HydrophobicContact CB-CD1 3.95Å; L136-L175 HydrophobicContact CD2-CD1 3.74Å; Y147-L175 HydrophobicContact CE1-CD1 4.04Å; Y147-L175 HydrophobicContact CE1-CD2 3.91Å; M148-L175 HydrophobicContact CE-CD1 4.47Å; M148-L175 HydrophobicContact CE-CD2 4.14Å; M148-L175 HydrophobicContact SD-CD2 4.38Å; L151-L175 HydrophobicContact CD2-CD2 3.31Å; L171-L175 WeakPolarHBondContact O-CB 3.01Å; L171-L175 PolarHBondContact O-N 2.61Å; L172-L175 PolarHBondContact O-N 2.96Å; Q173-L175 VanDerWaalsContact C-N 3.33Å; Q173-L175 PolarHBondContact O-N 3.19Å; L175-S178 WeakPolarHBondContact O-CB 3.48Å; L175-S178 PolarHBondContact O-N 2.88Å; L175-L179 HydrophobicContact CD1-CD1 4.11Å; L175-L179 HydrophobicContact CD1-CG 4.17Å; L175-L179 HydrophobicContact CG-CD1 4.02Å; L175-L179 HydrophobicContact CG-CG 4.46Å; L175-L179 WeakPolarHBondContact O-CB 3.37Å; L175-L179 VanDerWaalsContact O-CG 3.28Å; L175-L179 WeakPolarHBondContact O-CG 3.23Å; L175-L179 PolarHBondContact O-N 3.42Å; L175-I205 HydrophobicContact CD2-CD1 3.54Å; L175-I205 HydrophobicContact CD2-CG1 4.26Å; L175-I205 HydrophobicContact CG-CD1 3.89Å |
| 176 | Y | 93.4 | Very high | 85.9 | Confident | 63 Ų | 63 | 50.7 Ų | 50.7 | 25% | 0.247 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.9 | -49 | 179.3 | -175 | -94.3 | 0 | 0 | 0 | 111.6 | L172 Q173 S178 L179 C180 M202 I205 L206 | L172-Y176 WeakPolarHBondContact O-CB 3.38Å; L172-Y176 PolarHBondContact O-N 3.32Å; Q173-Y176 PolarHBondContact O-N 3.39Å; Y176-S178 VanDerWaalsContact C-N 3.35Å; Y176-S178 PolarHBondContact O-N 3.42Å; Y176-L179 PolarHBondContact O-N 3.4Å; Y176-C180 WeakPolarHBondContact CE1-SG 3.19Å; Y176-C180 PolarHBondContact O-N 2.91Å; Y176-C180 PolarHBondContact O-SG 3.11Å; Y176-C180 VanDerWaalsContact O-SG 3.36Å; Y176-M202 HydrophobicContact CD2-CE 4.2Å; Y176-M202 HydrophobicContact CE2-CB 4.21Å; Y176-M202 HydrophobicContact CE2-CE 3.76Å; Y176-I205 HydrophobicContact CD2-CG2 4.29Å; Y176-L206 HydrophobicContact CD2-CD2 4.06Å; Y176-L206 HydrophobicContact CD2-CG 4.22Å; Y176-L206 HydrophobicContact CE2-CD1 3.92Å; Y176-L206 HydrophobicContact CE2-CD2 3.68Å; Y176-L206 HydrophobicContact CE2-CG 3.71Å |
| 177 | V | 91.6 | Very high | 84.1 | Confident | 85 Ų | 85 | 52.6 Ų | 52.6 | 52% | 0.515 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 177.8 | 172.8 | 0 | 0 | 0 | 0 | 111.5 | Q173 L179 C180 G181 | Q173-V177 WeakPolarHBondContact O-CG2 3.46Å; Q173-V177 PolarHBondContact O-N 3.14Å; V177-L179 PolarHBondContact O-N 3.43Å; V177-C180 PolarHBondContact O-N 2.82Å; V177-G181 PolarHBondContact O-N 3.4Å; V177-G181 VanDerWaalsContact O-N 3.12Å |
| 178 | S | 89.7 | Confident | 82.4 | Confident | 29 Ų | 29 | 59.4 Ų | 59.4 | 20% | 0.203 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.9 | -45.5 | 175.8 | -178.4 | 0 | 0 | 0 | 0 | 111.6 | A132 T174 L175 Y176 G181 L182 | A132-S178 WeakPolarHBondContact O-CB 3.31Å; A132-S178 PolarHBondContact O-OG 2.86Å; T174-S178 VanDerWaalsContact O-CB 3.25Å; T174-S178 WeakPolarHBondContact O-CB 3.38Å; T174-S178 PolarHBondContact O-N 3.39Å; L175-S178 WeakPolarHBondContact O-CB 3.48Å; L175-S178 PolarHBondContact O-N 2.88Å; Y176-S178 VanDerWaalsContact C-N 3.35Å; Y176-S178 PolarHBondContact O-N 3.42Å; S178-G181 PolarHBondContact O-N 3.36Å; S178-L182 VanDerWaalsContact O-CG 3.26Å; S178-L182 WeakPolarHBondContact O-CG 2.86Å; S178-L182 PolarHBondContact O-N 3.39Å; S178-L182 VanDerWaalsContact O-N 3.11Å |
| 179 | L | 88.8 | Confident | 80.5 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.005 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66 | -40.1 | 176.4 | -70.3 | 174.3 | 0 | 0 | 0 | 112.6 | L136 M148 L175 Y176 V177 G181 L182 V183 L191 W198 M202 I205 | L136-L179 HydrophobicContact CD2-CD2 3.81Å; M148-L179 HydrophobicContact CE-CD1 4.23Å; L175-L179 HydrophobicContact CD1-CD1 4.11Å; L175-L179 HydrophobicContact CD1-CG 4.17Å; L175-L179 HydrophobicContact CG-CD1 4.02Å; L175-L179 HydrophobicContact CG-CG 4.46Å; L175-L179 WeakPolarHBondContact O-CB 3.37Å; L175-L179 VanDerWaalsContact O-CG 3.28Å; L175-L179 WeakPolarHBondContact O-CG 3.23Å; L175-L179 PolarHBondContact O-N 3.42Å; Y176-L179 PolarHBondContact O-N 3.4Å; V177-L179 PolarHBondContact O-N 3.43Å; L179-G181 VanDerWaalsContact C-N 3.34Å; L179-G181 PolarHBondContact O-N 3.26Å; L179-L182 PolarHBondContact O-N 2.91Å; L179-V183 WeakPolarHBondContact O-CB 2.97Å; L179-V183 VanDerWaalsContact O-CG2 3.27Å; L179-V183 WeakPolarHBondContact O-CG2 3.46Å; L179-V183 PolarHBondContact O-N 2.96Å; L179-L191 HydrophobicContact CD2-CD1 3.85Å; L179-L191 HydrophobicContact CD2-CD2 4.42Å; L179-W198 HydrophobicContact CD1-CE3 4.45Å; L179-W198 HydrophobicContact CD1-CZ3 4.45Å; L179-W198 HydrophobicContact CD2-CE3 3.78Å; L179-W198 HydrophobicContact CD2-CZ3 3.67Å; L179-M202 HydrophobicContact CB-CE 4.33Å; L179-M202 HydrophobicContact CB-CG 4.19Å; L179-M202 HydrophobicContact CB-SD 4.09Å; L179-M202 HydrophobicContact CD1-CG 3.94Å; L179-I205 HydrophobicContact CD1-CD1 3.79Å |
| 180 | C | 87.1 | Confident | 79.2 | Confident | 30 Ų | 30 | 67.3 Ų | 67.3 | 20% | 0.203 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -56.8 | -47.5 | 174.9 | -73.3 | 0 | 0 | 0 | 0 | 111.6 | Y176 V177 V183 Q184 M202 | Y176-C180 WeakPolarHBondContact CE1-SG 3.19Å; Y176-C180 PolarHBondContact O-N 2.91Å; Y176-C180 PolarHBondContact O-SG 3.11Å; Y176-C180 VanDerWaalsContact O-SG 3.36Å; V177-C180 PolarHBondContact O-N 2.82Å; C180-V183 PolarHBondContact O-N 2.95Å; C180-Q184 WeakPolarHBondContact O-CB 3.38Å; C180-Q184 VanDerWaalsContact O-CG 3.25Å; C180-Q184 WeakPolarHBondContact O-CG 3.23Å; C180-Q184 PolarHBondContact O-N 2.96Å; C180-M202 WeakPolarHBondContact SG-CE 3.49Å |
| 181 | G | 83.8 | Confident | 78.4 | Confident | 28 Ų | 28 | 64.8 Ų | 64.8 | 29% | 0.289 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.5 | -47.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V177 S178 L179 V183 Q184 D185 | V177-G181 PolarHBondContact O-N 3.4Å; V177-G181 VanDerWaalsContact O-N 3.12Å; S178-G181 PolarHBondContact O-N 3.36Å; L179-G181 VanDerWaalsContact C-N 3.34Å; L179-G181 PolarHBondContact O-N 3.26Å; G181-V183 VanDerWaalsContact C-N 3.28Å; G181-V183 PolarHBondContact O-N 3.31Å; G181-Q184 PolarHBondContact O-N 3.49Å; G181-D185 PolarHBondContact O-N 2.93Å |
| 182 | L | 81.3 | Confident | 77.5 | Confident | 55 Ų | 55 | 68.5 Ų | 68.5 | 29% | 0.288 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.9 | -29.6 | 179.6 | -67.7 | 168.8 | 0 | 0 | 0 | 113.9 | P137 S178 L179 L191 | P137-L182 HydrophobicContact CG-CD1 3.75Å; P137-L182 HydrophobicContact CG-CD2 3.86Å; P137-L182 HydrophobicContact CG-CG 4.49Å; S178-L182 VanDerWaalsContact O-CG 3.26Å; S178-L182 WeakPolarHBondContact O-CG 2.86Å; S178-L182 PolarHBondContact O-N 3.39Å; S178-L182 VanDerWaalsContact O-N 3.11Å; L179-L182 PolarHBondContact O-N 2.91Å; L182-L191 HydrophobicContact CB-CD1 4.26Å; L182-L191 HydrophobicContact CD1-CD2 4.06Å; L182-L191 HydrophobicContact CD1-CG 4.43Å |
| 183 | V | 75.7 | Confident | 76.4 | Confident | 33 Ų | 33 | 71.2 Ų | 71.2 | 20% | 0.2 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -82.6 | -32 | 177.1 | 172.3 | 0 | 0 | 0 | 0 | 111.6 | L179 C180 G181 M186 I195 M202 | L179-V183 WeakPolarHBondContact O-CB 2.97Å; L179-V183 VanDerWaalsContact O-CG2 3.27Å; L179-V183 WeakPolarHBondContact O-CG2 3.46Å; L179-V183 PolarHBondContact O-N 2.96Å; C180-V183 PolarHBondContact O-N 2.95Å; G181-V183 VanDerWaalsContact C-N 3.28Å; G181-V183 PolarHBondContact O-N 3.31Å; V183-M186 HydrophobicContact CG1-CE 4.27Å; V183-M186 WeakPolarHBondContact O-CE 3.18Å; V183-M186 WeakPolarHBondContact O-CG 2.83Å; V183-I195 HydrophobicContact CG1-CD1 4.21Å; V183-I195 HydrophobicContact CG2-CD1 4.2Å; V183-M202 HydrophobicContact CG2-SD 4.32Å |
| 184 | Q | 72.6 | Confident | 75.8 | Confident | 150 Ų | 150 | 70.9 Ų | 70.9 | 70% | 0.701 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -78 | -32.6 | -179.4 | -74.6 | 174.8 | -4.9 | 0 | 0 | 113.4 | C180 G181 M186 | C180-Q184 WeakPolarHBondContact O-CB 3.38Å; C180-Q184 VanDerWaalsContact O-CG 3.25Å; C180-Q184 WeakPolarHBondContact O-CG 3.23Å; C180-Q184 PolarHBondContact O-N 2.96Å; G181-Q184 PolarHBondContact O-N 3.49Å; Q184-M186 PolarHBondContact O-N 3.01Å |
| 185 | D | 65.3 | Low | 75.2 | Confident | 136 Ų | 136 | 72.8 Ų | 72.8 | 73% | 0.727 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -76.5 | 48.4 | 179.6 | -69.1 | -25 | 0 | 0 | 0 | 113 | G181 G187 | G181-D185 PolarHBondContact O-N 2.93Å; D185-G187 PolarHBondContact O-N 3.08Å; D185-G187 VanDerWaalsContact O-N 3.08Å |
| 186 | M | 50.8 | Low | 74.7 | Confident | 150 Ų | 150 | 78.1 Ų | 78.1 | 74% | 0.739 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | 107.8 | -171.8 | -69.8 | -152.9 | 159.3 | 0 | 0 | 113.5 | V183 Q184 | V183-M186 HydrophobicContact CG1-CE 4.27Å; V183-M186 WeakPolarHBondContact O-CE 3.18Å; V183-M186 WeakPolarHBondContact O-CG 2.83Å; Q184-M186 PolarHBondContact O-N 3.01Å |
| 187 | G | 50.8 | Low | 74.3 | Confident | 72 Ų | 72 | 79.2 Ų | 79.2 | 74% | 0.742 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -174 | -22.8 | 166.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | D185 | D185-G187 PolarHBondContact O-N 3.08Å; D185-G187 VanDerWaalsContact O-N 3.08Å |
| 188 | K | 51.7 | Low | 74.1 | Confident | 183 Ų | 183 | 75.3 Ų | 75.3 | 80% | 0.796 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -141.2 | 108.9 | 172.2 | -63.8 | 178.5 | -177 | 175.3 | 0 | 107.7 | V190 | K188-V190 VanDerWaalsContact C-N 3.35Å; K188-V190 VanDerWaalsContact O-CG2 3.3Å; K188-V190 WeakPolarHBondContact O-CG2 3.33Å; K188-V190 PolarHBondContact O-N 2.91Å |
| 189 | S | 52.9 | Low | 73.9 | Confident | 118 Ų | 118 | 77.8 Ų | 77.8 | 83% | 0.825 | 46% | 0.455 | S | S | * | . | trans | -62.3 | 93.6 | 176.1 | 57.5 | 0 | 0 | 0 | 0 | 109.9 | L191 | S189-L191 VanDerWaalsContact C-N 3.3Š| ||
| 190 | V | 63.5 | Low | 73.9 | Confident | 82 Ų | 82 | 83.1 Ų | 83.1 | 50% | 0.497 | 48% | 0.479 | S | S | . | . | trans | -78.1 | -23.5 | 178.2 | -157.7 | 0 | 0 | 0 | 0 | 110.7 | P137 K188 | P137-V190 HydrophobicContact CB-CB 3.92Å; P137-V190 HydrophobicContact CB-CG1 3.26Å; P137-V190 HydrophobicContact CG-CG1 4.45Å; K188-V190 VanDerWaalsContact C-N 3.35Å; K188-V190 VanDerWaalsContact O-CG2 3.3Å; K188-V190 WeakPolarHBondContact O-CG2 3.33Å; K188-V190 PolarHBondContact O-N 2.91Å | ||
| 191 | L | 75.1 | Confident | 74 | Confident | 17 Ų | 17 | 83.9 Ų | 83.9 | 9% | 0.089 | 48% | 0.478 | C | S | . | . | S | Bend | trans | -80.3 | 132.9 | 173.4 | -64.1 | 178.2 | 0 | 0 | 0 | 110.7 | L179 L182 S189 W198 | L179-L191 HydrophobicContact CD2-CD1 3.85Å; L179-L191 HydrophobicContact CD2-CD2 4.42Å; L182-L191 HydrophobicContact CB-CD1 4.26Å; L182-L191 HydrophobicContact CD1-CD2 4.06Å; L182-L191 HydrophobicContact CD1-CG 4.43Å; S189-L191 VanDerWaalsContact C-N 3.3Å; L191-W198 HydrophobicContact CB-CD2 4.35Å; L191-W198 HydrophobicContact CB-CZ2 4.12Å; L191-W198 HydrophobicContact CD1-CD2 3.86Å; L191-W198 HydrophobicContact CD1-CE3 4.09Å; L191-W198 HydrophobicContact CD1-CG 4.12Å; L191-W198 HydrophobicContact CD2-CH2 4.06Å; L191-W198 HydrophobicContact CD2-CZ2 4.02Å; L191-W198 HydrophobicContact CD2-CZ3 4.46Å; L191-W198 HydrophobicContact CG-CZ2 4.46Å |
| 192 | V | 75.1 | Confident | 74.4 | Confident | 77 Ų | 77 | 83.6 Ų | 83.6 | 47% | 0.467 | 47% | 0.47 | S | S | . | . | trans | -80.9 | 128.3 | -178 | -176.1 | 0 | 0 | 0 | 0 | 109.3 | Q144 W198 | Q144-V192 VanDerWaalsContact OE1-N 3.12Å; V192-W198 PolarHBondContact O-NE1 2.98Å | ||
| 193 | G | 73.6 | Confident | 74.9 | Confident | 57 Ų | 57 | 84.8 Ų | 84.8 | 59% | 0.588 | 48% | 0.476 | S | S | * | . | S | Bend | trans | 110 | -173.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 194 | N | 82 | Confident | 75.8 | Confident | 86 Ų | 86 | 85.1 Ų | 85.1 | 46% | 0.46 | 48% | 0.477 | S | S | . | . | trans | -71.5 | 133.2 | -177.8 | -175.2 | -32.5 | 0 | 0 | 0 | 110.9 | N196 I197 | N194-N196 PolarHBondContact O-N 2.87Å; N194-N196 WeakPolarHBondContact OD1-CB 3.15Å; N194-N196 PolarHBondContact OD1-N 2.81Å; N194-I197 HydrophobicContact CB-CD1 3.9Å; N194-I197 HydrophobicContact CB-CG1 4.1Å; N194-I197 VanDerWaalsContact O-CB 3.31Å; N194-I197 WeakPolarHBondContact O-CB 3.33Å; N194-I197 PolarHBondContact O-N 2.82Å | ||
| 195 | I | 80.4 | Confident | 76.8 | Confident | 76 Ų | 76 | 78 Ų | 78 | 39% | 0.39 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -53.6 | -36.8 | 177.8 | -171.7 | 61.7 | 0 | 0 | 0 | 112.9 | V183 I197 W198 V199 | V183-I195 HydrophobicContact CG1-CD1 4.21Å; V183-I195 HydrophobicContact CG2-CD1 4.2Å; I195-I197 PolarHBondContact O-N 2.61Å; I195-W198 WeakPolarHBondContact O-CA 3.47Å; I195-W198 WeakPolarHBondContact O-CB 3.27Å; I195-W198 PolarHBondContact O-N 3.06Å; I195-V199 HydrophobicContact CG1-CG2 4.46Å; I195-V199 WeakPolarHBondContact O-CG2 3.35Å; I195-V199 PolarHBondContact O-N 2.89Å |
| 196 | N | 83.3 | Confident | 78.2 | Confident | 112 Ų | 112 | 74.3 Ų | 74.3 | 60% | 0.599 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -62.9 | -30.9 | 178.8 | -65.8 | -23.4 | 0 | 0 | 0 | 112.3 | N194 W198 H200 | N194-N196 PolarHBondContact O-N 2.87Å; N194-N196 WeakPolarHBondContact OD1-CB 3.15Å; N194-N196 PolarHBondContact OD1-N 2.81Å; N196-W198 VanDerWaalsContact C-N 3.32Å; N196-H200 WeakPolarHBondContact O-CB 3.45Å; N196-H200 PolarHBondContact O-N 3.44Å |
| 197 | I | 85.9 | Confident | 80.3 | Confident | 87 Ų | 87 | 71.2 Ų | 71.2 | 45% | 0.446 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -67.2 | -39.1 | 174.7 | -62.2 | 170.7 | 0 | 0 | 0 | 109.8 | N194 I195 H200 R201 | N194-I197 HydrophobicContact CB-CD1 3.9Å; N194-I197 HydrophobicContact CB-CG1 4.1Å; N194-I197 VanDerWaalsContact O-CB 3.31Å; N194-I197 WeakPolarHBondContact O-CB 3.33Å; N194-I197 PolarHBondContact O-N 2.82Å; I195-I197 PolarHBondContact O-N 2.61Å; I197-H200 PolarHBondContact O-N 3.13Å; I197-R201 VanDerWaalsContact O-CG 3.29Å; I197-R201 WeakPolarHBondContact O-CG 3.2Å; I197-R201 PolarHBondContact O-N 2.95Å |
| 198 | W | 86.6 | Confident | 82.5 | Confident | 3 Ų | 3 | 69.2 Ų | 69.2 | 1% | 0.011 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -71.8 | -38.8 | 178.3 | -74.5 | 104 | 0 | 0 | 0 | 112.3 | L136 Q144 M148 L179 L191 V192 I195 N196 H200 R201 M202 | L136-W198 HydrophobicContact CD2-CH2 4.33Å; L136-W198 HydrophobicContact CD2-CZ3 4.3Å; Q144-W198 HydrophobicContact CB-CH2 4.32Å; Q144-W198 HydrophobicContact CB-CZ2 4.32Å; M148-W198 HydrophobicContact CE-CE3 4.29Å; M148-W198 HydrophobicContact CE-CH2 4.21Å; M148-W198 HydrophobicContact CE-CZ3 3.46Å; M148-W198 VanDerWaalsContact CE-CZ3 3.46Å; L179-W198 HydrophobicContact CD1-CE3 4.45Å; L179-W198 HydrophobicContact CD1-CZ3 4.45Å; L179-W198 HydrophobicContact CD2-CE3 3.78Å; L179-W198 HydrophobicContact CD2-CZ3 3.67Å; L191-W198 HydrophobicContact CB-CD2 4.35Å; L191-W198 HydrophobicContact CB-CZ2 4.12Å; L191-W198 HydrophobicContact CD1-CD2 3.86Å; L191-W198 HydrophobicContact CD1-CE3 4.09Å; L191-W198 HydrophobicContact CD1-CG 4.12Å; L191-W198 HydrophobicContact CD2-CH2 4.06Å; L191-W198 HydrophobicContact CD2-CZ2 4.02Å; L191-W198 HydrophobicContact CD2-CZ3 4.46Å; L191-W198 HydrophobicContact CG-CZ2 4.46Å; V192-W198 PolarHBondContact O-NE1 2.98Å; I195-W198 WeakPolarHBondContact O-CA 3.47Å; I195-W198 WeakPolarHBondContact O-CB 3.27Å; I195-W198 PolarHBondContact O-N 3.06Å; N196-W198 VanDerWaalsContact C-N 3.32Å; W198-H200 VanDerWaalsContact C-N 3.35Å; W198-H200 PolarHBondContact O-N 3.09Å; W198-R201 VanDerWaalsContact CH2-NH1 3.27Å; W198-R201 PolarHBondContact O-N 3.29Å; W198-M202 WeakPolarHBondContact O-CG 3.34Å; W198-M202 PolarHBondContact O-N 3.21Å |
| 199 | V | 86.3 | Confident | 84.5 | Confident | 80 Ų | 80 | 61.8 Ų | 61.8 | 49% | 0.485 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.6 | -47.2 | 170.8 | 174.9 | 0 | 0 | 0 | 0 | 110.7 | I195 R201 M202 D203 | I195-V199 HydrophobicContact CG1-CG2 4.46Å; I195-V199 WeakPolarHBondContact O-CG2 3.35Å; I195-V199 PolarHBondContact O-N 2.89Å; V199-R201 VanDerWaalsContact C-N 3.33Å; V199-R201 PolarHBondContact O-N 3.06Å; V199-M202 WeakPolarHBondContact O-CB 3.35Å; V199-M202 PolarHBondContact O-N 2.75Å; V199-D203 PolarHBondContact O-N 2.85Å |
| 200 | H | 88.5 | Confident | 86.4 | Confident | 114 Ų | 114 | 61.8 Ų | 61.8 | 53% | 0.528 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.3 | -39 | 175.4 | -176.8 | -60.8 | 0 | 0 | 0 | 112.5 | N196 I197 W198 M202 D203 N204 | N196-H200 WeakPolarHBondContact O-CB 3.45Å; N196-H200 PolarHBondContact O-N 3.44Å; I197-H200 PolarHBondContact O-N 3.13Å; W198-H200 VanDerWaalsContact C-N 3.35Å; W198-H200 PolarHBondContact O-N 3.09Å; H200-M202 VanDerWaalsContact C-N 3.33Å; H200-D203 PolarHBondContact O-N 3.06Å; H200-N204 PolarHBondContact CE1-ND2 3.25Å; H200-N204 PolarHBondContact CE1-OD1 3.23Å; H200-N204 PolarHBondContact ND1-ND2 3Å; H200-N204 PolarHBondContact ND1-OD1 3.38Å; H200-N204 PolarHBondContact O-N 3.13Å; H200-N204 PolarHBondContact O-OD1 3.46Å |
| 201 | R | 90 | Very high | 87.7 | Confident | 45 Ų | 45 | 62.3 Ų | 62.3 | 17% | 0.17 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.4 | -37.3 | 175.7 | -75.2 | 168.9 | 175 | -175.2 | 0.8 | 112 | M148 I197 W198 V199 N204 I205 | M148-R201 HydrophobicContact CE-CB 4.47Å; I197-R201 VanDerWaalsContact O-CG 3.29Å; I197-R201 WeakPolarHBondContact O-CG 3.2Å; I197-R201 PolarHBondContact O-N 2.95Å; W198-R201 VanDerWaalsContact CH2-NH1 3.27Å; W198-R201 PolarHBondContact O-N 3.29Å; V199-R201 VanDerWaalsContact C-N 3.33Å; V199-R201 PolarHBondContact O-N 3.06Å; R201-N204 PolarHBondContact O-N 2.72Å; R201-I205 VanDerWaalsContact O-CG1 3.28Å; R201-I205 WeakPolarHBondContact O-CG1 3.4Å; R201-I205 PolarHBondContact O-N 3.49Å |
| 202 | M | 91.2 | Very high | 88.4 | Confident | 23 Ų | 23 | 61.5 Ų | 61.5 | 11% | 0.113 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.7 | -41.1 | 174.4 | -70.8 | 177 | 72.9 | 0 | 0 | 111.3 | Y176 L179 C180 V183 W198 V199 H200 I205 L206 | Y176-M202 HydrophobicContact CD2-CE 4.2Å; Y176-M202 HydrophobicContact CE2-CB 4.21Å; Y176-M202 HydrophobicContact CE2-CE 3.76Å; L179-M202 HydrophobicContact CB-CE 4.33Å; L179-M202 HydrophobicContact CB-CG 4.19Å; L179-M202 HydrophobicContact CB-SD 4.09Å; L179-M202 HydrophobicContact CD1-CG 3.94Å; C180-M202 WeakPolarHBondContact SG-CE 3.49Å; V183-M202 HydrophobicContact CG2-SD 4.32Å; W198-M202 WeakPolarHBondContact O-CG 3.34Å; W198-M202 PolarHBondContact O-N 3.21Å; V199-M202 WeakPolarHBondContact O-CB 3.35Å; V199-M202 PolarHBondContact O-N 2.75Å; H200-M202 VanDerWaalsContact C-N 3.33Å; M202-I205 WeakPolarHBondContact O-CB 3.25Å; M202-I205 PolarHBondContact O-N 2.95Å; M202-L206 PolarHBondContact O-N 3.15Å; M202-L206 VanDerWaalsContact O-N 3.08Å |
| 203 | D | 92.4 | Very high | 88.9 | Confident | 79 Ų | 79 | 61.3 Ų | 61.3 | 42% | 0.422 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.3 | -45.7 | 173.8 | -169.3 | 59.2 | 0 | 0 | 0 | 111.7 | V199 H200 I205 L206 Q207 | V199-D203 PolarHBondContact O-N 2.85Å; H200-D203 PolarHBondContact O-N 3.06Å; D203-I205 VanDerWaalsContact C-N 3.28Å; D203-I205 PolarHBondContact O-N 3.14Å; D203-L206 WeakPolarHBondContact O-CB 3.31Å; D203-L206 PolarHBondContact O-N 2.98Å; D203-L206 VanDerWaalsContact O-N 3.1Å; D203-Q207 WeakPolarHBondContact O-CG 3.28Å; D203-Q207 PolarHBondContact O-N 2.87Å; D203-Q207 PolarHBondContact OD2-NE2 3.21Å |
| 204 | N | 93.8 | Very high | 89.6 | Confident | 41 Ų | 41 | 64.4 Ų | 64.4 | 22% | 0.219 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.8 | -39.6 | 173.9 | -73.3 | 0.3 | 0 | 0 | 0 | 112.6 | H200 R201 L206 Q207 W208 | H200-N204 PolarHBondContact CE1-ND2 3.25Å; H200-N204 PolarHBondContact CE1-OD1 3.23Å; H200-N204 PolarHBondContact ND1-ND2 3Å; H200-N204 PolarHBondContact ND1-OD1 3.38Å; H200-N204 PolarHBondContact O-N 3.13Å; H200-N204 PolarHBondContact O-OD1 3.46Å; R201-N204 PolarHBondContact O-N 2.72Å; N204-L206 VanDerWaalsContact C-N 3.34Å; N204-Q207 PolarHBondContact O-N 2.83Å; N204-W208 HydrophobicContact CB-CZ2 4.47Å; N204-W208 PolarHBondContact O-N 3.14Å |
| 205 | I | 94.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.5 | -43 | 176.9 | -71.2 | 161.4 | 0 | 0 | 0 | 110.6 | M148 L172 L175 Y176 L179 R201 M202 D203 W208 Q209 | M148-I205 HydrophobicContact CE-CD1 4.48Å; L172-I205 HydrophobicContact CB-CG2 4.16Å; L172-I205 HydrophobicContact CD2-CG2 4.23Å; L175-I205 HydrophobicContact CD2-CD1 3.54Å; L175-I205 HydrophobicContact CD2-CG1 4.26Å; L175-I205 HydrophobicContact CG-CD1 3.89Å; Y176-I205 HydrophobicContact CD2-CG2 4.29Å; L179-I205 HydrophobicContact CD1-CD1 3.79Å; R201-I205 VanDerWaalsContact O-CG1 3.28Å; R201-I205 WeakPolarHBondContact O-CG1 3.4Å; R201-I205 PolarHBondContact O-N 3.49Å; M202-I205 WeakPolarHBondContact O-CB 3.25Å; M202-I205 PolarHBondContact O-N 2.95Å; D203-I205 VanDerWaalsContact C-N 3.28Å; D203-I205 PolarHBondContact O-N 3.14Å; I205-W208 HydrophobicContact CG1-CE3 4.15Å; I205-W208 HydrophobicContact CG1-CZ3 4.16Å; I205-W208 PolarHBondContact O-N 3.02Å; I205-Q209 WeakPolarHBondContact O-CG 3.23Å; I205-Q209 PolarHBondContact O-N 3.34Å |
| 206 | L | 94.3 | Very high | 89.6 | Confident | 58 Ų | 58 | 65 Ų | 65 | 30% | 0.304 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.6 | -42.7 | 175.6 | -67 | 173.4 | 0 | 0 | 0 | 111.4 | Y176 M202 D203 N204 W208 Q209 Q210 | Y176-L206 HydrophobicContact CD2-CD2 4.06Å; Y176-L206 HydrophobicContact CD2-CG 4.22Å; Y176-L206 HydrophobicContact CE2-CD1 3.92Å; Y176-L206 HydrophobicContact CE2-CD2 3.68Å; Y176-L206 HydrophobicContact CE2-CG 3.71Å; M202-L206 PolarHBondContact O-N 3.15Å; M202-L206 VanDerWaalsContact O-N 3.08Å; D203-L206 WeakPolarHBondContact O-CB 3.31Å; D203-L206 PolarHBondContact O-N 2.98Å; D203-L206 VanDerWaalsContact O-N 3.1Å; N204-L206 VanDerWaalsContact C-N 3.34Å; L206-W208 VanDerWaalsContact C-N 3.34Å; L206-W208 PolarHBondContact O-N 3.43Å; L206-Q209 WeakPolarHBondContact O-CB 3.39Å; L206-Q209 PolarHBondContact O-N 3.1Å; L206-Q210 WeakPolarHBondContact O-CG 3.37Å; L206-Q210 PolarHBondContact O-N 2.92Å |
| 207 | Q | 95.3 | Very high | 89.1 | Confident | 85 Ų | 85 | 63.4 Ų | 63.4 | 40% | 0.397 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.2 | -43.6 | 174.7 | -67.7 | 177.5 | 15.1 | 0 | 0 | 111.4 | D203 N204 Q210 Q211 | D203-Q207 WeakPolarHBondContact O-CG 3.28Å; D203-Q207 PolarHBondContact O-N 2.87Å; D203-Q207 PolarHBondContact OD2-NE2 3.21Å; N204-Q207 PolarHBondContact O-N 2.83Å; Q207-Q210 WeakPolarHBondContact O-CB 3.3Å; Q207-Q210 PolarHBondContact O-N 3.35Å; Q207-Q211 WeakPolarHBondContact O-CG 3.38Å; Q207-Q211 PolarHBondContact O-N 3.49Å |
| 208 | W | 95.8 | Very high | 88.2 | Confident | 30 Ų | 30 | 65 Ų | 65 | 11% | 0.114 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.2 | -40.9 | 175.2 | -67.6 | -25.3 | 0 | 0 | 0 | 112.4 | L151 E152 V155 L172 N204 I205 L206 Q210 Q211 L212 | L151-W208 HydrophobicContact CD2-CZ3 3.95Å; L151-W208 HydrophobicContact CG-CZ3 3.97Å; E152-W208 HydrophobicContact CB-CH2 3.76Å; E152-W208 HydrophobicContact CB-CZ2 3.63Å; E152-W208 HydrophobicContact CG-CH2 4.35Å; E152-W208 HydrophobicContact CG-CZ2 3.7Å; V155-W208 HydrophobicContact CB-CD2 4.46Å; V155-W208 HydrophobicContact CB-CG 4.41Å; V155-W208 HydrophobicContact CG1-CB 3.93Å; V155-W208 HydrophobicContact CG1-CD2 4.32Å; V155-W208 HydrophobicContact CG1-CG 3.78Å; V155-W208 HydrophobicContact CG2-CB 4.38Å; V155-W208 HydrophobicContact CG2-CD2 4.1Å; V155-W208 HydrophobicContact CG2-CE3 4.07Å; V155-W208 HydrophobicContact CG2-CG 4.25Å; L172-W208 HydrophobicContact CD1-CB 3.84Å; L172-W208 HydrophobicContact CD2-CE3 3.91Å; N204-W208 HydrophobicContact CB-CZ2 4.47Å; N204-W208 PolarHBondContact O-N 3.14Å; I205-W208 HydrophobicContact CG1-CE3 4.15Å; I205-W208 HydrophobicContact CG1-CZ3 4.16Å; I205-W208 PolarHBondContact O-N 3.02Å; L206-W208 VanDerWaalsContact C-N 3.34Å; L206-W208 PolarHBondContact O-N 3.43Å; W208-Q210 VanDerWaalsContact C-N 3.34Å; W208-Q210 PolarHBondContact O-N 3.19Å; W208-Q211 PolarHBondContact O-N 3.44Å; W208-L212 VanDerWaalsContact O-CG 3.25Å; W208-L212 WeakPolarHBondContact O-CG 3.3Å; W208-L212 PolarHBondContact O-N 2.74Å |
| 209 | Q | 93.4 | Very high | 87.2 | Confident | 27 Ų | 27 | 75.5 Ų | 75.5 | 13% | 0.126 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -58.7 | -46.8 | 173.8 | -73.8 | -179.7 | -39.6 | 0 | 0 | 111.1 | L172 I205 L206 Q211 L212 D213 | L172-Q209 HydrophobicContact CB-CG 3.9Å; L172-Q209 HydrophobicContact CD1-CG 4Å; I205-Q209 WeakPolarHBondContact O-CG 3.23Å; I205-Q209 PolarHBondContact O-N 3.34Å; L206-Q209 WeakPolarHBondContact O-CB 3.39Å; L206-Q209 PolarHBondContact O-N 3.1Å; Q209-Q211 PolarHBondContact O-N 3.07Å; Q209-L212 PolarHBondContact O-N 2.95Å; Q209-D213 VanDerWaalsContact O-CG 3.25Å; Q209-D213 PolarHBondContact O-N 3.27Å |
| 210 | Q | 92.8 | Very high | 86.1 | Confident | 119 Ų | 119 | 77.3 Ų | 77.3 | 56% | 0.556 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -61.3 | -41.6 | 176.1 | -70.1 | 175.9 | 2 | 0 | 0 | 112.5 | L206 Q207 W208 L212 D213 N214 | L206-Q210 WeakPolarHBondContact O-CG 3.37Å; L206-Q210 PolarHBondContact O-N 2.92Å; Q207-Q210 WeakPolarHBondContact O-CB 3.3Å; Q207-Q210 PolarHBondContact O-N 3.35Å; W208-Q210 VanDerWaalsContact C-N 3.34Å; W208-Q210 PolarHBondContact O-N 3.19Å; Q210-L212 VanDerWaalsContact C-N 3.34Å; Q210-L212 PolarHBondContact O-N 2.64Å; Q210-D213 PolarHBondContact O-N 3.08Å; Q210-N214 PolarHBondContact O-N 2.94Å; Q210-N214 VanDerWaalsContact O-N 3.11Å; Q210-N214 PolarHBondContact O-ND2 2.79Å |
| 211 | Q | 92.1 | Very high | 84.8 | Confident | 92 Ų | 92 | 76 Ų | 76 | 43% | 0.43 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.6 | -43.6 | 175.6 | -73.4 | 176.4 | -18.7 | 0 | 0 | 111.5 | L159 Q207 W208 Q209 D213 N214 I215 | L159-Q211 HydrophobicContact CD1-CB 4.33Å; L159-Q211 HydrophobicContact CD2-CB 3.94Å; Q207-Q211 WeakPolarHBondContact O-CG 3.38Å; Q207-Q211 PolarHBondContact O-N 3.49Å; W208-Q211 PolarHBondContact O-N 3.44Å; Q209-Q211 PolarHBondContact O-N 3.07Å; Q211-D213 VanDerWaalsContact C-N 3.29Å; Q211-D213 PolarHBondContact O-N 2.93Å; Q211-N214 PolarHBondContact O-N 3.37Å; Q211-N214 VanDerWaalsContact O-N 3.16Å; Q211-I215 PolarHBondContact O-N 3.02Å |
| 212 | L | 88.7 | Confident | 83.3 | Confident | 0 Ų | 0 | 78.8 Ų | 78.8 | 0% | 0 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -68.2 | -27.8 | 176.4 | -65.7 | 172.9 | 0 | 0 | 0 | 112.7 | V158 L159 V165 I168 K169 L172 W208 Q209 Q210 N214 I215 | V158-L212 HydrophobicContact CG1-CD2 3.79Å; L159-L212 HydrophobicContact CD2-CD2 3.91Å; L159-L212 HydrophobicContact CG-CD2 4.27Å; V165-L212 HydrophobicContact CG1-CB 4.48Å; I168-L212 HydrophobicContact CB-CD1 4.23Å; I168-L212 HydrophobicContact CG2-CD1 3.72Å; K169-L212 HydrophobicContact CD-CB 4.47Å; K169-L212 VanDerWaalsContact CE-CB 3.5Å; K169-L212 WeakPolarHBondContact CE-O 3.41Å; K169-L212 HydrophobicContact CG-CB 4.11Å; K169-L212 HydrophobicContact CG-CD1 4.05Å; K169-L212 PolarHBondContact NZ-O 2.92Å; L172-L212 HydrophobicContact CD1-CD1 3.62Å; W208-L212 VanDerWaalsContact O-CG 3.25Å; W208-L212 WeakPolarHBondContact O-CG 3.3Å; W208-L212 PolarHBondContact O-N 2.74Å; Q209-L212 PolarHBondContact O-N 2.95Å; Q210-L212 VanDerWaalsContact C-N 3.34Å; Q210-L212 PolarHBondContact O-N 2.64Å; L212-N214 VanDerWaalsContact C-N 3.3Å; L212-I215 HydrophobicContact CD2-CD1 3.81Å |
| 213 | D | 85.9 | Confident | 81.8 | Confident | 73 Ų | 73 | 86.3 Ų | 86.3 | 39% | 0.39 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -73.7 | -20.1 | 172.7 | -71.6 | -26.8 | 0 | 0 | 0 | 113.1 | W8 K169 Q209 Q210 Q211 | W8-D213 WeakPolarHBondContact CH2-O 3.45Å; W8-D213 WeakPolarHBondContact CZ2-O 3.47Å; K169-D213 WeakPolarHBondContact CE-OD1 3.43Å; K169-D213 IonicContact NZ-OD1 3.74Å; K169-D213 PolarHBondContact NZ-OD1 3.45Å; Q209-D213 VanDerWaalsContact O-CG 3.25Å; Q209-D213 PolarHBondContact O-N 3.27Å; Q210-D213 PolarHBondContact O-N 3.08Å; Q211-D213 VanDerWaalsContact C-N 3.29Å; Q211-D213 PolarHBondContact O-N 2.93Å |
| 214 | N | 87.5 | Confident | 80.9 | Confident | 122 Ų | 122 | 85.8 Ų | 85.8 | 65% | 0.652 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -104.6 | 5.6 | -177.9 | -69.4 | -44.1 | 0 | 0 | 0 | 113.8 | Q210 Q211 L212 Q216 | Q210-N214 PolarHBondContact O-N 2.94Å; Q210-N214 VanDerWaalsContact O-N 3.11Å; Q210-N214 PolarHBondContact O-ND2 2.79Å; Q211-N214 PolarHBondContact O-N 3.37Å; Q211-N214 VanDerWaalsContact O-N 3.16Å; L212-N214 VanDerWaalsContact C-N 3.3Å; N214-Q216 PolarHBondContact O-N 3.35Å |
| 215 | I | 84.5 | Confident | 80.2 | Confident | 11 Ų | 11 | 91.6 Ų | 91.6 | 6% | 0.056 | 50% | 0.496 | C | S | . | . | trans | -55.6 | 139.2 | 176.4 | -70 | 174.9 | 0 | 0 | 0 | 108.9 | W8 L159 Q162 V165 Q211 L212 | W8-I215 WeakPolarHBondContact CH2-O 3.44Å; W8-I215 HydrophobicContact CZ3-CB 4.16Å; W8-I215 WeakPolarHBondContact CZ3-O 3.47Å; L159-I215 HydrophobicContact CD2-CD1 4.05Å; L159-I215 HydrophobicContact CD2-CG1 4.03Å; Q162-I215 HydrophobicContact CB-CG2 4.41Å; Q162-I215 HydrophobicContact CG-CG2 4.13Å; V165-I215 HydrophobicContact CG1-CD1 4.28Å; V165-I215 HydrophobicContact CG2-CD1 3.94Å; Q211-I215 PolarHBondContact O-N 3.02Å; L212-I215 HydrophobicContact CD2-CD1 3.81Å | ||
| 216 | Q | 77.9 | Confident | 79.7 | Confident | 163 Ų | 163 | 94 Ų | 94 | 76% | 0.762 | 51% | 0.512 | S | S | * | . | trans | -114.6 | 115.3 | 165.1 | -66.6 | -171.3 | -0.2 | 0 | 0 | 107.1 | Q162 N214 N218 | Q162-Q216 PolarHBondContact NE2-O 3.18Å; Q162-Q216 PolarHBondContact OE1-O 3.16Å; N214-Q216 PolarHBondContact O-N 3.35Å; Q216-N218 PolarHBondContact O-N 3.49Å | ||
| 217 | I | 74.7 | Confident | 79.3 | Confident | 80 Ų | 80 | 94 Ų | 94 | 41% | 0.41 | 51% | 0.513 | S | S | . | . | trans | -64.8 | 114.2 | -179.7 | -60.9 | 175.3 | 0 | 0 | 0 | 107.4 | R219 | I217-R219 PolarHBondContact O-N 3.06Š| ||
| 218 | N | 66.6 | Low | 79 | Confident | 119 Ų | 119 | 93 Ų | 93 | 64% | 0.636 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 119.5 | -179.9 | -68.9 | -41.5 | 0 | 0 | 0 | 108.8 | Q162 Q216 | Q162-N218 PolarHBondContact NE2-ND2 3.05Å; Q162-N218 PolarHBondContact OE1-ND2 3.37Å; Q216-N218 PolarHBondContact O-N 3.49Å |
| 219 | R | 64.2 | Low | 78.7 | Confident | 224 Ų | 224 | 96.3 Ų | 96.3 | 85% | 0.845 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 130.3 | 172.7 | -75.2 | -174.5 | -179.2 | 177.3 | 0.9 | 108.7 | I217 A221 | I217-R219 PolarHBondContact O-N 3.06Å; R219-A221 PolarHBondContact O-N 3.14Å |
| 220 | P | 63.9 | Low | 78.6 | Confident | 119 Ų | 119 | 97.4 Ų | 97.4 | 77% | 0.773 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 140.6 | 166.3 | -19 | 30.2 | 0 | 0 | 0 | 109.1 | A222 | P220-A222 PolarHBondContact O-N 3.19Š|
| 221 | A | 61.7 | Low | 78.7 | Confident | 85 Ų | 85 | 95.4 Ų | 95.4 | 70% | 0.702 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -52.8 | 126.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | R219 M223 | R219-A221 PolarHBondContact O-N 3.14Å; A221-M223 HydrophobicContact CB-CG 4.34Å; A221-M223 PolarHBondContact O-N 3.2Å |
| 222 | A | 58.4 | Low | 78.7 | Confident | 105 Ų | 105 | 93.8 Ų | 93.8 | 87% | 0.868 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -69.2 | 69.5 | -169.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | P220 | P220-A222 PolarHBondContact O-N 3.19Š|
| 223 | M | 60.2 | Low | 78.8 | Confident | 181 Ų | 181 | 97.3 Ų | 97.3 | 89% | 0.892 | 56% | 0.563 | S | S | * | * | trans | -111 | 22.8 | -173 | -67.6 | -76.3 | -80.2 | 0 | 0 | 112.3 | A221 | A221-M223 HydrophobicContact CB-CG 4.34Å; A221-M223 PolarHBondContact O-N 3.2Å | ||
| 224 | G | 72.1 | Confident | 79.1 | Confident | 68 Ų | 68 | 97.8 Ų | 97.8 | 70% | 0.701 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -169.8 | -179.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 225 | M | 79.4 | Confident | 79.4 | Confident | 163 Ų | 163 | 92.5 Ų | 92.5 | 80% | 0.803 | 54% | 0.536 | S | S | * | . | trans | -60.6 | 139.1 | 175.8 | -69.7 | -174.8 | -69.4 | 0 | 0 | 111.6 | ||||
| 226 | S | 84.1 | Confident | 79.8 | Confident | 49 Ų | 49 | 93.7 Ų | 93.7 | 34% | 0.343 | 54% | 0.543 | S | S | . | . | trans | -94.9 | 166.6 | 176.2 | 72.9 | 0 | 0 | 0 | 0 | 111.8 | T228 D229 | S226-T228 PolarHBondContact O-N 2.98Å; S226-T228 PolarHBondContact OG-OG1 3.04Å; S226-D229 WeakPolarHBondContact CA-OD2 3.46Å; S226-D229 WeakPolarHBondContact CB-OD2 3.46Å; S226-D229 PolarHBondContact N-OD2 3.23Å; S226-D229 WeakPolarHBondContact O-CB 3.37Å; S226-D229 PolarHBondContact O-N 2.9Å; S226-D229 VanDerWaalsContact O-N 3.14Å; S226-D229 PolarHBondContact OG-OD1 2.62Å; S226-D229 PolarHBondContact OG-OD2 2.87Å | ||
| 227 | L | 87.1 | Confident | 80.5 | Confident | 60 Ų | 60 | 89.9 Ų | 89.9 | 31% | 0.314 | 53% | 0.528 | S | S | . | . | G | 310 helix | trans | -59 | -36.6 | 177.9 | 178.8 | 63.5 | 0 | 0 | 0 | 112.1 | D229 L230 Q235 I238 L251 L258 | L227-D229 VanDerWaalsContact C-N 3.26Å; L227-D229 PolarHBondContact O-N 3.45Å; L227-L230 HydrophobicContact CD1-CD1 4.2Å; L227-L230 WeakPolarHBondContact O-CB 3.27Å; L227-L230 PolarHBondContact O-N 3.49Å; L227-Q235 HydrophobicContact CD1-CG 4.43Å; L227-Q235 WeakPolarHBondContact O-CG 3.31Å; L227-Q235 PolarHBondContact O-NE2 3.31Å; L227-Q235 VanDerWaalsContact O-NE2 3.16Å; L227-I238 HydrophobicContact CD1-CD1 3.82Å; L227-L251 HydrophobicContact CD2-CD1 3.87Å; L227-L258 HydrophobicContact CD2-CD1 4.31Å; L227-L258 HydrophobicContact CD2-CD2 4.31Å |
| 228 | T | 88.5 | Confident | 81.3 | Confident | 62 Ų | 62 | 89.9 Ų | 89.9 | 38% | 0.38 | 53% | 0.528 | S | S | . | . | G | 310 helix | trans | -70.2 | -22.2 | 179.9 | 42.6 | 0 | 0 | 0 | 0 | 112.8 | S226 L230 Q235 L258 | S226-T228 PolarHBondContact O-N 2.98Å; S226-T228 PolarHBondContact OG-OG1 3.04Å; T228-L230 PolarHBondContact O-N 3.22Å; T228-Q235 PolarHBondContact O-NE2 2.79Å; T228-L258 HydrophobicContact CG2-CD1 4.5Å |
| 229 | D | 89.6 | Confident | 82.6 | Confident | 101 Ų | 101 | 84.3 Ų | 84.3 | 54% | 0.54 | 50% | 0.498 | S | S | . | . | G | 310 helix | trans | -76.4 | -14.4 | 177.3 | -55 | -36 | 0 | 0 | 0 | 112.4 | S226 L227 | S226-D229 WeakPolarHBondContact CA-OD2 3.46Å; S226-D229 WeakPolarHBondContact CB-OD2 3.46Å; S226-D229 PolarHBondContact N-OD2 3.23Å; S226-D229 WeakPolarHBondContact O-CB 3.37Å; S226-D229 PolarHBondContact O-N 2.9Å; S226-D229 VanDerWaalsContact O-N 3.14Å; S226-D229 PolarHBondContact OG-OD1 2.62Å; S226-D229 PolarHBondContact OG-OD2 2.87Å; L227-D229 VanDerWaalsContact C-N 3.26Å; L227-D229 PolarHBondContact O-N 3.45Å |
| 230 | L | 91.5 | Very high | 83.9 | Confident | 49 Ų | 49 | 76.2 Ų | 76.2 | 26% | 0.257 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -77.7 | 145.9 | 177.6 | -60.8 | 178.9 | 0 | 0 | 0 | 111.2 | L227 T228 L234 Q235 I238 | L227-L230 HydrophobicContact CD1-CD1 4.2Å; L227-L230 WeakPolarHBondContact O-CB 3.27Å; L227-L230 PolarHBondContact O-N 3.49Å; T228-L230 PolarHBondContact O-N 3.22Å; L230-L234 HydrophobicContact CB-CB 4.35Å; L230-Q235 HydrophobicContact CB-CG 4.05Å; L230-Q235 PolarHBondContact O-NE2 3.35Å; L230-I238 HydrophobicContact CD1-CD1 3.63Å |
| 231 | P | 93.7 | Very high | 85.1 | Confident | 78 Ų | 78 | 80.7 Ų | 80.7 | 51% | 0.506 | 47% | 0.471 | S | S | . | . | trans | -53.3 | 144.4 | 169.8 | -25.9 | 32.9 | 0 | 0 | 0 | 112.8 | S233 L234 Q235 | P231-S233 PolarHBondContact O-N 3.45Å; P231-S233 VanDerWaalsContact O-N 3.07Å; P231-L234 HydrophobicContact CG-CD1 4.49Å; P231-L234 WeakPolarHBondContact O-CA 3.49Å; P231-L234 WeakPolarHBondContact O-CB 3.4Å; P231-L234 PolarHBondContact O-N 2.89Å; P231-Q235 PolarHBondContact O-N 2.95Å | ||
| 232 | A | 92.2 | Very high | 86.5 | Confident | 57 Ų | 57 | 79.5 Ų | 79.5 | 47% | 0.471 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -53.1 | -34.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q235 L236 L261 | A232-Q235 PolarHBondContact O-N 3.16Å; A232-L236 WeakPolarHBondContact O-CB 3.39Å; A232-L236 PolarHBondContact O-N 3.21Å; A232-L261 HydrophobicContact CB-CD1 4.36Å; A232-L261 HydrophobicContact CB-CD2 4.25Å |
| 233 | S | 91.6 | Very high | 87.9 | Confident | 74 Ų | 74 | 78.1 Ų | 78.1 | 52% | 0.517 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65 | -37.2 | 175.6 | 58.2 | 0 | 0 | 0 | 0 | 112.8 | P231 N237 | P231-S233 PolarHBondContact O-N 3.45Å; P231-S233 VanDerWaalsContact O-N 3.07Å; S233-N237 WeakPolarHBondContact O-CB 3.44Å; S233-N237 PolarHBondContact O-N 3.29Å; S233-N237 PolarHBondContact O-ND2 2.96Å |
| 234 | L | 92.3 | Very high | 89.2 | Confident | 84 Ų | 84 | 70.6 Ų | 70.6 | 44% | 0.44 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -73.8 | -41.2 | 175.1 | -67.1 | -172.1 | 0 | 0 | 0 | 111.3 | L230 P231 L236 N237 I238 | L230-L234 HydrophobicContact CB-CB 4.35Å; P231-L234 HydrophobicContact CG-CD1 4.49Å; P231-L234 WeakPolarHBondContact O-CA 3.49Å; P231-L234 WeakPolarHBondContact O-CB 3.4Å; P231-L234 PolarHBondContact O-N 2.89Å; L234-L236 VanDerWaalsContact C-N 3.32Å; L234-L236 PolarHBondContact O-N 2.91Å; L234-N237 PolarHBondContact O-N 3.11Å; L234-I238 WeakPolarHBondContact O-CG1 3.39Å; L234-I238 PolarHBondContact O-N 2.68Å |
| 235 | Q | 93.8 | Very high | 90.1 | Very high | 10 Ų | 10 | 67.3 Ų | 67.3 | 5% | 0.047 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -56.4 | -48.4 | 173.3 | -62.8 | 179.7 | 6 | 0 | 0 | 110.6 | L227 T228 L230 P231 A232 N237 I238 M239 L261 | L227-Q235 HydrophobicContact CD1-CG 4.43Å; L227-Q235 WeakPolarHBondContact O-CG 3.31Å; L227-Q235 PolarHBondContact O-NE2 3.31Å; L227-Q235 VanDerWaalsContact O-NE2 3.16Å; T228-Q235 PolarHBondContact O-NE2 2.79Å; L230-Q235 HydrophobicContact CB-CG 4.05Å; L230-Q235 PolarHBondContact O-NE2 3.35Å; P231-Q235 PolarHBondContact O-N 2.95Å; A232-Q235 PolarHBondContact O-N 3.16Å; Q235-N237 VanDerWaalsContact C-N 3.34Å; Q235-N237 PolarHBondContact O-N 3.43Å; Q235-I238 WeakPolarHBondContact O-CB 3.42Å; Q235-I238 PolarHBondContact O-N 3.09Å; Q235-I238 VanDerWaalsContact O-N 3.15Å; Q235-M239 HydrophobicContact CB-CE 4.4Å; Q235-M239 VanDerWaalsContact O-CG 3.28Å; Q235-M239 WeakPolarHBondContact O-CG 3.21Å; Q235-M239 PolarHBondContact O-N 3.2Å; Q235-L261 HydrophobicContact CB-CD1 3.85Å |
| 236 | L | 92.8 | Very high | 90.6 | Very high | 36 Ų | 36 | 63.7 Ų | 63.7 | 19% | 0.188 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63 | -38.6 | 177.8 | -170.1 | 68.8 | 0 | 0 | 0 | 112.4 | A232 L234 I238 M239 Q240 D264 L267 | A232-L236 WeakPolarHBondContact O-CB 3.39Å; A232-L236 PolarHBondContact O-N 3.21Å; L234-L236 VanDerWaalsContact C-N 3.32Å; L234-L236 PolarHBondContact O-N 2.91Å; L236-I238 VanDerWaalsContact C-N 3.33Å; L236-I238 PolarHBondContact O-N 3.41Å; L236-M239 WeakPolarHBondContact O-CB 3.45Å; L236-M239 PolarHBondContact O-N 3.34Å; L236-Q240 VanDerWaalsContact O-CG 3.29Å; L236-Q240 WeakPolarHBondContact O-CG 3.39Å; L236-Q240 PolarHBondContact O-N 3.32Å; L236-D264 HydrophobicContact CD1-CB 4.07Å; L236-L267 HydrophobicContact CD1-CD2 4.39Å |
| 237 | N | 91.9 | Very high | 90.9 | Very high | 84 Ų | 84 | 63.2 Ų | 63.2 | 45% | 0.449 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.9 | -38.8 | 174.4 | -85.3 | -50.3 | 0 | 0 | 0 | 112.4 | S233 L234 Q235 Q240 | S233-N237 WeakPolarHBondContact O-CB 3.44Å; S233-N237 PolarHBondContact O-N 3.29Å; S233-N237 PolarHBondContact O-ND2 2.96Å; L234-N237 PolarHBondContact O-N 3.11Å; Q235-N237 VanDerWaalsContact C-N 3.34Å; Q235-N237 PolarHBondContact O-N 3.43Å; N237-Q240 PolarHBondContact O-N 3.49Å |
| 238 | I | 92.1 | Very high | 91.1 | Very high | 79 Ų | 79 | 60.4 Ų | 60.4 | 41% | 0.405 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.6 | -46.6 | 174 | -66.6 | 164.2 | 0 | 0 | 0 | 109.8 | L227 L230 L234 Q235 L236 Q240 R241 | L227-I238 HydrophobicContact CD1-CD1 3.82Å; L230-I238 HydrophobicContact CD1-CD1 3.63Å; L234-I238 WeakPolarHBondContact O-CG1 3.39Å; L234-I238 PolarHBondContact O-N 2.68Å; Q235-I238 WeakPolarHBondContact O-CB 3.42Å; Q235-I238 PolarHBondContact O-N 3.09Å; Q235-I238 VanDerWaalsContact O-N 3.15Å; L236-I238 VanDerWaalsContact C-N 3.33Å; L236-I238 PolarHBondContact O-N 3.41Å; I238-Q240 VanDerWaalsContact C-N 3.26Å; I238-Q240 PolarHBondContact O-N 2.91Å; I238-R241 WeakPolarHBondContact O-CB 3.25Å; I238-R241 PolarHBondContact O-N 3.27Å |
| 239 | M | 93.6 | Very high | 91.3 | Very high | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -57.4 | -39 | 177.1 | -66.8 | 179.5 | -168.1 | 0 | 0 | 112.3 | Q235 L236 R241 L242 L248 L251 L258 L261 T262 L267 | Q235-M239 HydrophobicContact CB-CE 4.4Å; Q235-M239 VanDerWaalsContact O-CG 3.28Å; Q235-M239 WeakPolarHBondContact O-CG 3.21Å; Q235-M239 PolarHBondContact O-N 3.2Å; L236-M239 WeakPolarHBondContact O-CB 3.45Å; L236-M239 PolarHBondContact O-N 3.34Å; M239-R241 PolarHBondContact O-N 2.64Å; M239-R241 VanDerWaalsContact O-N 3.15Å; M239-L242 WeakPolarHBondContact O-CB 3.42Å; M239-L242 PolarHBondContact O-N 2.88Å; M239-L248 HydrophobicContact CB-CD2 3.93Å; M239-L248 HydrophobicContact CG-CD2 4.4Å; M239-L251 HydrophobicContact CE-CD2 3.65Å; M239-L251 HydrophobicContact CE-CG 4.27Å; M239-L251 HydrophobicContact CG-CD2 3.51Å; M239-L251 HydrophobicContact SD-CD2 4.02Å; M239-L258 HydrophobicContact CE-CB 4.3Å; M239-L258 HydrophobicContact CE-CD2 3.46Å; M239-L258 VanDerWaalsContact CE-CD2 3.46Å; M239-L258 HydrophobicContact CE-CG 4.46Å; M239-L261 HydrophobicContact CE-CB 3.78Å; M239-L261 HydrophobicContact CE-CD1 3.96Å; M239-L261 HydrophobicContact SD-CB 3.9Å; M239-T262 HydrophobicContact CE-CG2 4.21Å; M239-T262 HydrophobicContact SD-CG2 3.81Å; M239-L267 HydrophobicContact CB-CD1 3.94Å; M239-L267 HydrophobicContact CB-CD2 4.2Å; M239-L267 HydrophobicContact SD-CD2 4.47Å |
| 240 | Q | 91.6 | Very high | 91.3 | Very high | 54 Ų | 54 | 54.9 Ų | 54.9 | 25% | 0.252 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | -14.3 | 177.1 | -74.2 | 175.5 | 21.3 | 0 | 0 | 114.1 | L236 N237 I238 L267 K270 | L236-Q240 VanDerWaalsContact O-CG 3.29Å; L236-Q240 WeakPolarHBondContact O-CG 3.39Å; L236-Q240 PolarHBondContact O-N 3.32Å; N237-Q240 PolarHBondContact O-N 3.49Å; I238-Q240 VanDerWaalsContact C-N 3.26Å; I238-Q240 PolarHBondContact O-N 2.91Å; Q240-L267 HydrophobicContact CB-CD1 4.21Å; Q240-L267 HydrophobicContact CG-CD1 3.54Å; Q240-K270 HydrophobicContact CG-CD 4.34Å |
| 241 | R | 89.8 | Confident | 91.2 | Very high | 214 Ų | 214 | 54 Ų | 54 | 81% | 0.808 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -9.1 | 174.6 | -59.6 | -58.6 | -177.3 | 159.6 | 0.4 | 113.2 | I238 M239 | I238-R241 WeakPolarHBondContact O-CB 3.25Å; I238-R241 PolarHBondContact O-N 3.27Å; M239-R241 PolarHBondContact O-N 2.64Å; M239-R241 VanDerWaalsContact O-N 3.15Å |
| 242 | L | 89.4 | Confident | 91.1 | Very high | 59 Ų | 59 | 51 Ų | 51 | 31% | 0.309 | 27% | 0.269 | S | S | . | . | trans | -74.2 | 135.2 | 175 | -63.6 | 173.8 | 0 | 0 | 0 | 110.1 | M239 D247 L248 L251 | M239-L242 WeakPolarHBondContact O-CB 3.42Å; M239-L242 PolarHBondContact O-N 2.88Å; L242-D247 HydrophobicContact CD1-CB 4.47Å; L242-L248 HydrophobicContact CB-CD2 4.2Å; L242-L248 HydrophobicContact CD1-CD2 3.64Å; L242-L248 HydrophobicContact CD1-CG 4.46Å; L242-L248 HydrophobicContact CG-CD2 4.48Å; L242-L251 HydrophobicContact CD1-CD2 4.35Å | ||
| 243 | T | 88.1 | Confident | 91 | Very high | 77 Ų | 77 | 54.4 Ų | 54.4 | 47% | 0.472 | 28% | 0.275 | S | S | . | . | trans | -103.6 | 3.7 | -175.4 | 58.1 | 0 | 0 | 0 | 0 | 113 | Y274 H275 | T243-Y274 HydrophobicContact CG2-CE1 3.88Å; T243-H275 PolarHBondContact O-CE1 2.86Å; T243-H275 PolarHBondContact O-NE2 3.48Å | ||
| 244 | D | 88.2 | Confident | 90.9 | Very high | 22 Ų | 22 | 56 Ų | 56 | 12% | 0.118 | 28% | 0.281 | C | S | . | . | trans | -130.9 | 121.6 | 176.1 | -171 | -14.9 | 0 | 0 | 0 | 109.2 | R166 R246 D247 L248 | R166-D244 IonicContact NH1-OD2 3.54Å; R166-D244 PolarHBondContact NH1-OD2 2.95Å; R166-D244 VanDerWaalsContact NH1-OD2 3.15Å; D244-R246 PolarHBondContact O-N 2.88Å; D244-R246 WeakPolarHBondContact OD1-CB 3.15Å; D244-R246 WeakPolarHBondContact OD1-CG 3.35Å; D244-R246 PolarHBondContact OD1-N 3.23Å; D244-R246 IonicContact OD1-NE 2.72Å; D244-R246 PolarHBondContact OD1-NE 2.86Å; D244-R246 VanDerWaalsContact OD1-NE 3.14Å; D244-R246 IonicContact OD2-CZ 2.64Å; D244-R246 IonicContact OD2-NE 2.62Å; D244-R246 PolarHBondContact OD2-NE 3.4Å; D244-R246 IonicContact OD2-NH2 3.32Å; D244-R246 PolarHBondContact OD2-NH2 3.17Å; D244-D247 WeakPolarHBondContact O-CB 3.17Å; D244-D247 PolarHBondContact O-N 3.28Å; D244-L248 PolarHBondContact O-N 2.86Å | ||
| 245 | G | 90.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.7 | -24 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | D247 L248 V249 W268 L271 Y299 | G245-D247 VanDerWaalsContact C-N 3.25Å; G245-D247 PolarHBondContact O-N 3.05Å; G245-L248 WeakPolarHBondContact O-CB 3.4Å; G245-L248 PolarHBondContact O-N 3.13Å; G245-V249 WeakPolarHBondContact O-CG2 3.44Å; G245-V249 PolarHBondContact O-N 3Å; G245-V249 VanDerWaalsContact O-N 3.1Å; G245-W268 WeakPolarHBondContact O-CH2 3.44Å; G245-L271 VanDerWaalsContact CA-CD2 3.49Å; G245-Y299 PolarHBondContact N-OH 3.45Å |
| 246 | R | 90 | Very high | 90.6 | Very high | 87 Ų | 87 | 58.5 Ų | 58.5 | 33% | 0.328 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.8 | -31.1 | 171.5 | -63.9 | 173.8 | -67.8 | -177.4 | 5.6 | 111.2 | R9 E170 D244 L248 V249 S250 F300 | R9-R246 PolarHBondContact NH1-O 3.35Å; E170-R246 IonicContact OE1-CZ 3.28Å; E170-R246 IonicContact OE1-NH1 2.86Å; E170-R246 PolarHBondContact OE1-NH1 3.29Å; E170-R246 IonicContact OE1-NH2 2.83Å; D244-R246 PolarHBondContact O-N 2.88Å; D244-R246 WeakPolarHBondContact OD1-CB 3.15Å; D244-R246 WeakPolarHBondContact OD1-CG 3.35Å; D244-R246 PolarHBondContact OD1-N 3.23Å; D244-R246 IonicContact OD1-NE 2.72Å; D244-R246 PolarHBondContact OD1-NE 2.86Å; D244-R246 VanDerWaalsContact OD1-NE 3.14Å; D244-R246 IonicContact OD2-CZ 2.64Å; D244-R246 IonicContact OD2-NE 2.62Å; D244-R246 PolarHBondContact OD2-NE 3.4Å; D244-R246 IonicContact OD2-NH2 3.32Å; D244-R246 PolarHBondContact OD2-NH2 3.17Å; R246-L248 VanDerWaalsContact C-N 3.32Å; R246-V249 PolarHBondContact O-N 3.5Å; R246-S250 PolarHBondContact O-N 3.35Å; R246-S250 PolarHBondContact O-OG 3.42Å; R246-F300 HydrophobicContact CG-CE1 3.95Å |
| 247 | D | 89.8 | Confident | 90.5 | Very high | 38 Ų | 38 | 62.9 Ų | 62.9 | 20% | 0.203 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -72.7 | -31.2 | 177.2 | -61.6 | -17.2 | 0 | 0 | 0 | 111.3 | R166 L242 D244 G245 S250 L251 | R166-D247 IonicContact CZ-OD1 2.75Å; R166-D247 IonicContact NH1-OD1 2.95Å; R166-D247 PolarHBondContact NH1-OD1 3.09Å; R166-D247 IonicContact NH2-OD1 3.67Å; L242-D247 HydrophobicContact CD1-CB 4.47Å; D244-D247 WeakPolarHBondContact O-CB 3.17Å; D244-D247 PolarHBondContact O-N 3.28Å; G245-D247 VanDerWaalsContact C-N 3.25Å; G245-D247 PolarHBondContact O-N 3.05Å; D247-S250 VanDerWaalsContact CA-OG 3.27Å; D247-S250 WeakPolarHBondContact CA-OG 3.43Å; D247-S250 PolarHBondContact O-N 3.4Å; D247-S250 PolarHBondContact O-OG 2.99Å; D247-L251 PolarHBondContact O-N 3.39Å |
| 248 | L | 92.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.7 | -44.6 | 172.2 | -66 | 178.1 | 0 | 0 | 0 | 112.8 | M239 L242 D244 G245 R246 S250 L251 G252 T262 L267 W268 L271 | M239-L248 HydrophobicContact CB-CD2 3.93Å; M239-L248 HydrophobicContact CG-CD2 4.4Å; L242-L248 HydrophobicContact CB-CD2 4.2Å; L242-L248 HydrophobicContact CD1-CD2 3.64Å; L242-L248 HydrophobicContact CD1-CG 4.46Å; L242-L248 HydrophobicContact CG-CD2 4.48Å; D244-L248 PolarHBondContact O-N 2.86Å; G245-L248 WeakPolarHBondContact O-CB 3.4Å; G245-L248 PolarHBondContact O-N 3.13Å; R246-L248 VanDerWaalsContact C-N 3.32Å; L248-S250 PolarHBondContact O-N 3.21Å; L248-S250 VanDerWaalsContact O-N 3.16Å; L248-L251 PolarHBondContact O-N 3.35Å; L248-G252 PolarHBondContact O-N 3.32Å; L248-G252 VanDerWaalsContact O-N 3.15Å; L248-T262 WeakPolarHBondContact O-CG2 3.43Å; L248-L267 HydrophobicContact CD1-CD1 4.3Å; L248-L267 HydrophobicContact CD1-CD2 3.94Å; L248-L267 HydrophobicContact CD1-CG 3.9Å; L248-L267 HydrophobicContact CD2-CD1 4.5Å; L248-L267 HydrophobicContact CD2-CD2 4.04Å; L248-W268 HydrophobicContact CB-CH2 4.16Å; L248-W268 HydrophobicContact CB-CZ2 4.05Å; L248-W268 HydrophobicContact CD1-CH2 4.4Å; L248-W268 HydrophobicContact CD1-CZ2 4.35Å; L248-L271 HydrophobicContact CD1-CD2 3.92Å |
| 249 | V | 92.9 | Very high | 90.6 | Very high | 37 Ų | 37 | 56.1 Ų | 56.1 | 22% | 0.224 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.3 | -34.5 | 179.3 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | G245 R246 Q253 W268 F300 | G245-V249 WeakPolarHBondContact O-CG2 3.44Å; G245-V249 PolarHBondContact O-N 3Å; G245-V249 VanDerWaalsContact O-N 3.1Å; R246-V249 PolarHBondContact O-N 3.5Å; V249-Q253 WeakPolarHBondContact O-CG 3.46Å; V249-Q253 PolarHBondContact O-N 3.45Å; V249-W268 HydrophobicContact CG2-CH2 3.99Å; V249-W268 HydrophobicContact CG2-CZ2 4.29Å; V249-F300 HydrophobicContact CG2-CE2 4.16Å; V249-F300 HydrophobicContact CG2-CZ 3.81Å |
| 250 | S | 88.3 | Confident | 90.6 | Very high | 10 Ų | 10 | 59.5 Ų | 59.5 | 7% | 0.07 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -73.1 | -46.3 | -178.8 | 2.2 | 0 | 0 | 0 | 0 | 111.6 | D7 R9 R246 D247 L248 G252 Q253 V254 | D7-S250 WeakPolarHBondContact OD2-CB 3.31Å; R9-S250 WeakPolarHBondContact CD-OG 3.49Å; R9-S250 VanDerWaalsContact NE-CB 3.31Å; R9-S250 PolarHBondContact NE-OG 3.41Å; R9-S250 PolarHBondContact NH1-OG 3.47Å; R246-S250 PolarHBondContact O-N 3.35Å; R246-S250 PolarHBondContact O-OG 3.42Å; D247-S250 VanDerWaalsContact CA-OG 3.27Å; D247-S250 WeakPolarHBondContact CA-OG 3.43Å; D247-S250 PolarHBondContact O-N 3.4Å; D247-S250 PolarHBondContact O-OG 2.99Å; L248-S250 PolarHBondContact O-N 3.21Å; L248-S250 VanDerWaalsContact O-N 3.16Å; S250-G252 PolarHBondContact O-N 3.15Å; S250-Q253 WeakPolarHBondContact O-CA 3.16Å; S250-Q253 WeakPolarHBondContact O-CB 3.33Å; S250-Q253 PolarHBondContact O-N 3.31Å; S250-V254 WeakPolarHBondContact O-CG2 3.47Å; S250-V254 PolarHBondContact O-N 3.01Å |
| 251 | L | 90.4 | Very high | 90.7 | Very high | 32 Ų | 32 | 58.6 Ų | 58.6 | 17% | 0.168 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -56.9 | -37.8 | -178.7 | -170.6 | 64.6 | 0 | 0 | 0 | 108.8 | L227 M239 L242 D247 L248 Q253 V254 L258 T262 | L227-L251 HydrophobicContact CD2-CD1 3.87Å; M239-L251 HydrophobicContact CE-CD2 3.65Å; M239-L251 HydrophobicContact CE-CG 4.27Å; M239-L251 HydrophobicContact CG-CD2 3.51Å; M239-L251 HydrophobicContact SD-CD2 4.02Å; L242-L251 HydrophobicContact CD1-CD2 4.35Å; D247-L251 PolarHBondContact O-N 3.39Å; L248-L251 PolarHBondContact O-N 3.35Å; L251-Q253 VanDerWaalsContact C-N 3.32Å; L251-Q253 PolarHBondContact O-N 3.17Å; L251-V254 WeakPolarHBondContact O-CB 3.4Å; L251-V254 PolarHBondContact O-N 2.73Å; L251-L258 HydrophobicContact CD1-CD1 3.93Å; L251-L258 HydrophobicContact CG-CB 4.48Å; L251-L258 HydrophobicContact CG-CD1 4.24Å; L251-L258 WeakPolarHBondContact O-CB 3.5Å; L251-T262 HydrophobicContact CB-CG2 4.17Å; L251-T262 HydrophobicContact CD2-CG2 4.41Å; L251-T262 HydrophobicContact CG-CG2 4.45Å |
| 252 | G | 91.3 | Very high | 90.9 | Very high | 15 Ų | 15 | 48.5 Ų | 48.5 | 16% | 0.155 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -70.2 | -21.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | L248 S250 G259 T262 | L248-G252 PolarHBondContact O-N 3.32Å; L248-G252 VanDerWaalsContact O-N 3.15Å; S250-G252 PolarHBondContact O-N 3.15Å; G252-G259 VanDerWaalsContact CA-CA 3.49Å; G252-G259 WeakPolarHBondContact O-CA 3.32Å; G252-T262 WeakPolarHBondContact CA-OG1 3.37Å |
| 253 | Q | 90.9 | Very high | 91.1 | Very high | 128 Ų | 128 | 50.9 Ų | 50.9 | 60% | 0.598 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -83.4 | -13.8 | 174.9 | -71.2 | 170.2 | -30.8 | 0 | 0 | 112.9 | V249 S250 L251 | V249-Q253 WeakPolarHBondContact O-CG 3.46Å; V249-Q253 PolarHBondContact O-N 3.45Å; S250-Q253 WeakPolarHBondContact O-CA 3.16Å; S250-Q253 WeakPolarHBondContact O-CB 3.33Å; S250-Q253 PolarHBondContact O-N 3.31Å; L251-Q253 VanDerWaalsContact C-N 3.32Å; L251-Q253 PolarHBondContact O-N 3.17Å |
| 254 | V | 88.6 | Confident | 91.3 | Very high | 106 Ų | 106 | 49.7 Ų | 49.7 | 64% | 0.642 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -69.5 | -47 | 179.9 | 177.3 | 0 | 0 | 0 | 0 | 111.4 | S250 L251 L258 | S250-V254 WeakPolarHBondContact O-CG2 3.47Å; S250-V254 PolarHBondContact O-N 3.01Å; L251-V254 WeakPolarHBondContact O-CB 3.4Å; L251-V254 PolarHBondContact O-N 2.73Å; V254-L258 HydrophobicContact CB-CD1 4.4Å |
| 255 | C | 89 | Confident | 91.5 | Very high | 31 Ų | 31 | 55.2 Ų | 55.2 | 21% | 0.209 | 30% | 0.298 | C | S | . | . | trans | -154.4 | 159.5 | 176.4 | 71.8 | 0 | 0 | 0 | 0 | 112 | E257 L258 G259 | C255-E257 VanDerWaalsContact C-N 3.31Å; C255-E257 PolarHBondContact O-N 2.66Å; C255-L258 PolarHBondContact O-N 3.02Å; C255-L258 WeakPolarHBondContact SG-CG 3.4Å; C255-G259 PolarHBondContact O-N 2.85Å | ||
| 256 | P | 91.9 | Very high | 91.6 | Very high | 116 Ų | 116 | 59.2 Ų | 59.2 | 75% | 0.753 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -60.2 | -35.4 | -177 | -25.2 | 35.3 | 0 | 0 | 0 | 114.4 | G259 A260 | P256-G259 WeakPolarHBondContact O-CA 3.41Å; P256-G259 PolarHBondContact O-N 3.26Å; P256-A260 PolarHBondContact O-N 2.84Å |
| 257 | E | 90.6 | Very high | 91.8 | Very high | 128 Ų | 128 | 55.2 Ų | 55.2 | 60% | 0.598 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -64.4 | -49.4 | -179.5 | -64.9 | 171.7 | -180 | 0 | 0 | 111.6 | C255 G259 A260 L261 | C255-E257 VanDerWaalsContact C-N 3.31Å; C255-E257 PolarHBondContact O-N 2.66Å; E257-G259 VanDerWaalsContact C-N 3.27Å; E257-G259 PolarHBondContact O-N 2.91Å; E257-A260 PolarHBondContact O-N 2.65Å; E257-L261 PolarHBondContact O-N 3.06Å |
| 258 | L | 92.4 | Very high | 92.1 | Very high | 4 Ų | 4 | 53.6 Ų | 53.6 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.5 | -35.1 | 173.7 | -63.8 | 174.7 | 0 | 0 | 0 | 110.8 | L227 T228 M239 L251 V254 C255 A260 L261 T262 | L227-L258 HydrophobicContact CD2-CD1 4.31Å; L227-L258 HydrophobicContact CD2-CD2 4.31Å; T228-L258 HydrophobicContact CG2-CD1 4.5Å; M239-L258 HydrophobicContact CE-CB 4.3Å; M239-L258 HydrophobicContact CE-CD2 3.46Å; M239-L258 VanDerWaalsContact CE-CD2 3.46Å; M239-L258 HydrophobicContact CE-CG 4.46Å; L251-L258 HydrophobicContact CD1-CD1 3.93Å; L251-L258 HydrophobicContact CG-CB 4.48Å; L251-L258 HydrophobicContact CG-CD1 4.24Å; L251-L258 WeakPolarHBondContact O-CB 3.5Å; V254-L258 HydrophobicContact CB-CD1 4.4Å; C255-L258 PolarHBondContact O-N 3.02Å; C255-L258 WeakPolarHBondContact SG-CG 3.4Å; L258-A260 PolarHBondContact O-N 3.49Å; L258-L261 PolarHBondContact O-N 3.33Å; L258-T262 VanDerWaalsContact O-CG2 3.25Å; L258-T262 WeakPolarHBondContact O-CG2 3.28Å; L258-T262 PolarHBondContact O-N 3.07Å; L258-T262 PolarHBondContact O-OG1 3.24Å |
| 259 | G | 93.3 | Very high | 92.1 | Very high | 17 Ų | 17 | 57.1 Ų | 57.1 | 18% | 0.175 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -52 | -53.5 | 172 | 0 | 0 | 0 | 0 | 0 | 112 | G252 C255 P256 E257 L261 T262 E263 | G252-G259 VanDerWaalsContact CA-CA 3.49Å; G252-G259 WeakPolarHBondContact O-CA 3.32Å; C255-G259 PolarHBondContact O-N 2.85Å; P256-G259 WeakPolarHBondContact O-CA 3.41Å; P256-G259 PolarHBondContact O-N 3.26Å; E257-G259 VanDerWaalsContact C-N 3.27Å; E257-G259 PolarHBondContact O-N 2.91Å; G259-L261 VanDerWaalsContact C-N 3.32Å; G259-L261 PolarHBondContact O-N 3.47Å; G259-T262 PolarHBondContact O-N 3.46Å; G259-T262 PolarHBondContact O-OG1 2.73Å; G259-E263 PolarHBondContact O-N 2.91Å |
| 260 | A | 93.6 | Very high | 92.2 | Very high | 73 Ų | 73 | 60.4 Ų | 60.4 | 60% | 0.603 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -58.9 | -41 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | P256 E257 L258 E263 | P256-A260 PolarHBondContact O-N 2.84Å; E257-A260 PolarHBondContact O-N 2.65Å; L258-A260 PolarHBondContact O-N 3.49Å; A260-E263 PolarHBondContact O-N 2.84Å |
| 261 | L | 93.7 | Very high | 92.4 | Very high | 36 Ų | 36 | 60.4 Ų | 60.4 | 19% | 0.188 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.2 | -37.4 | 178.3 | -67.3 | 179 | 0 | 0 | 0 | 113.1 | A232 Q235 M239 E257 L258 G259 E263 D264 | A232-L261 HydrophobicContact CB-CD1 4.36Å; A232-L261 HydrophobicContact CB-CD2 4.25Å; Q235-L261 HydrophobicContact CB-CD1 3.85Å; M239-L261 HydrophobicContact CE-CB 3.78Å; M239-L261 HydrophobicContact CE-CD1 3.96Å; M239-L261 HydrophobicContact SD-CB 3.9Å; E257-L261 PolarHBondContact O-N 3.06Å; L258-L261 PolarHBondContact O-N 3.33Å; G259-L261 VanDerWaalsContact C-N 3.32Å; G259-L261 PolarHBondContact O-N 3.47Å; L261-E263 PolarHBondContact O-N 3.16Å; L261-D264 WeakPolarHBondContact O-CB 3.43Å; L261-D264 PolarHBondContact O-N 3.4Å; L261-D264 VanDerWaalsContact O-N 3.09Å |
| 262 | T | 94.1 | Very high | 92.6 | Very high | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.012 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -70.7 | -17.6 | -179.9 | 59.7 | 0 | 0 | 0 | 0 | 113.3 | M239 L248 L251 G252 L258 G259 D264 W268 | M239-T262 HydrophobicContact CE-CG2 4.21Å; M239-T262 HydrophobicContact SD-CG2 3.81Å; L248-T262 WeakPolarHBondContact O-CG2 3.43Å; L251-T262 HydrophobicContact CB-CG2 4.17Å; L251-T262 HydrophobicContact CD2-CG2 4.41Å; L251-T262 HydrophobicContact CG-CG2 4.45Å; G252-T262 WeakPolarHBondContact CA-OG1 3.37Å; L258-T262 VanDerWaalsContact O-CG2 3.25Å; L258-T262 WeakPolarHBondContact O-CG2 3.28Å; L258-T262 PolarHBondContact O-N 3.07Å; L258-T262 PolarHBondContact O-OG1 3.24Å; G259-T262 PolarHBondContact O-N 3.46Å; G259-T262 PolarHBondContact O-OG1 2.73Å; T262-D264 PolarHBondContact O-N 2.87Å; T262-W268 PolarHBondContact O-NE1 3.24Å |
| 263 | E | 92.9 | Very high | 92.7 | Very high | 109 Ų | 109 | 62.6 Ų | 62.6 | 51% | 0.509 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 1.5 | 171.7 | -63.5 | -56 | 150.2 | 0 | 0 | 113.2 | G259 A260 L261 R265 K296 | G259-E263 PolarHBondContact O-N 2.91Å; A260-E263 PolarHBondContact O-N 2.84Å; L261-E263 PolarHBondContact O-N 3.16Å; E263-R265 PolarHBondContact O-N 3.42Å; E263-K296 IonicContact OE1-NZ 2.68Å; E263-K296 PolarHBondContact OE1-NZ 3.41Å; E263-K296 IonicContact OE2-NZ 3.14Å; E263-K296 PolarHBondContact OE2-NZ 2.92Å |
| 264 | D | 92.9 | Very high | 92.7 | Very high | 51 Ų | 51 | 59.7 Ų | 59.7 | 27% | 0.273 | 31% | 0.31 | S | S | . | . | trans | -57.8 | 127.8 | 178.1 | 177.7 | -101.5 | 0 | 0 | 0 | 112.2 | L236 L261 T262 L266 L267 W268 | L236-D264 HydrophobicContact CD1-CB 4.07Å; L261-D264 WeakPolarHBondContact O-CB 3.43Å; L261-D264 PolarHBondContact O-N 3.4Å; L261-D264 VanDerWaalsContact O-N 3.09Å; T262-D264 PolarHBondContact O-N 2.87Å; D264-L266 VanDerWaalsContact C-N 3.32Å; D264-L266 PolarHBondContact O-N 2.85Å; D264-L266 WeakPolarHBondContact OD1-CA 3.5Å; D264-L266 WeakPolarHBondContact OD1-CB 3.31Å; D264-L266 PolarHBondContact OD1-N 2.89Å; D264-L267 HydrophobicContact CB-CB 4.09Å; D264-L267 WeakPolarHBondContact O-CB 3.46Å; D264-L267 PolarHBondContact O-N 3.49Å; D264-L267 PolarHBondContact OD1-N 3.42Å; D264-W268 VanDerWaalsContact O-CD1 3.29Å; D264-W268 PolarHBondContact O-N 3.12Å | ||
| 265 | R | 92.1 | Very high | 92.8 | Very high | 138 Ų | 138 | 55.6 Ų | 55.6 | 52% | 0.521 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.8 | -37.9 | -176 | -169.3 | -176.4 | 68.8 | 159.5 | -2.7 | 112.3 | E263 K269 W295 | E263-R265 PolarHBondContact O-N 3.42Å; R265-K269 WeakPolarHBondContact O-CB 3.47Å; R265-K269 PolarHBondContact O-N 3.32Å; R265-W295 VanDerWaalsContact CG-CD1 3.43Å; R265-W295 HydrophobicContact CG-CG 4.49Å |
| 266 | L | 92.2 | Very high | 93 | Very high | 85 Ų | 85 | 54.4 Ų | 54.4 | 45% | 0.445 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -74 | -32.7 | -175.4 | -61.6 | 177.7 | 0 | 0 | 0 | 111.3 | D264 K269 K270 | D264-L266 VanDerWaalsContact C-N 3.32Å; D264-L266 PolarHBondContact O-N 2.85Å; D264-L266 WeakPolarHBondContact OD1-CA 3.5Å; D264-L266 WeakPolarHBondContact OD1-CB 3.31Å; D264-L266 PolarHBondContact OD1-N 2.89Å; L266-K269 PolarHBondContact O-N 3.31Å; L266-K270 WeakPolarHBondContact O-CB 3.28Å; L266-K270 WeakPolarHBondContact O-CG 3.5Å; L266-K270 PolarHBondContact O-N 3.28Å |
| 267 | L | 94.6 | Very high | 93.1 | Very high | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.016 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -55.5 | -55.2 | 172.3 | -178.6 | 65.5 | 0 | 0 | 0 | 111.2 | L236 M239 Q240 L248 D264 K269 K270 L271 | L236-L267 HydrophobicContact CD1-CD2 4.39Å; M239-L267 HydrophobicContact CB-CD1 3.94Å; M239-L267 HydrophobicContact CB-CD2 4.2Å; M239-L267 HydrophobicContact SD-CD2 4.47Å; Q240-L267 HydrophobicContact CB-CD1 4.21Å; Q240-L267 HydrophobicContact CG-CD1 3.54Å; L248-L267 HydrophobicContact CD1-CD1 4.3Å; L248-L267 HydrophobicContact CD1-CD2 3.94Å; L248-L267 HydrophobicContact CD1-CG 3.9Å; L248-L267 HydrophobicContact CD2-CD1 4.5Å; L248-L267 HydrophobicContact CD2-CD2 4.04Å; D264-L267 HydrophobicContact CB-CB 4.09Å; D264-L267 WeakPolarHBondContact O-CB 3.46Å; D264-L267 PolarHBondContact O-N 3.49Å; D264-L267 PolarHBondContact OD1-N 3.42Å; L267-K269 PolarHBondContact O-N 2.9Å; L267-K270 PolarHBondContact O-N 3.31Å; L267-L271 PolarHBondContact O-N 3.11Å |
| 268 | W | 95.4 | Very high | 93.1 | Very high | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.015 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.3 | -34.7 | 178.6 | -69 | 99.6 | 0 | 0 | 0 | 113.2 | G245 L248 V249 T262 D264 L271 C272 W295 K296 Y299 F300 | G245-W268 WeakPolarHBondContact O-CH2 3.44Å; L248-W268 HydrophobicContact CB-CH2 4.16Å; L248-W268 HydrophobicContact CB-CZ2 4.05Å; L248-W268 HydrophobicContact CD1-CH2 4.4Å; L248-W268 HydrophobicContact CD1-CZ2 4.35Å; V249-W268 HydrophobicContact CG2-CH2 3.99Å; V249-W268 HydrophobicContact CG2-CZ2 4.29Å; T262-W268 PolarHBondContact O-NE1 3.24Å; D264-W268 VanDerWaalsContact O-CD1 3.29Å; D264-W268 PolarHBondContact O-N 3.12Å; W268-L271 HydrophobicContact CE3-CD2 4.04Å; W268-L271 HydrophobicContact CZ3-CD2 4.03Å; W268-L271 PolarHBondContact O-N 3.1Å; W268-C272 WeakPolarHBondContact O-CB 3.46Å; W268-C272 PolarHBondContact O-N 3.35Å; W268-C272 PolarHBondContact O-SG 2.92Å; W268-W295 HydrophobicContact CB-CB 3.54Å; W268-K296 HydrophobicContact CD2-CB 3.69Å; W268-K296 HydrophobicContact CD2-CD 4.48Å; W268-K296 HydrophobicContact CD2-CG 3.83Å; W268-K296 HydrophobicContact CE3-CB 4.15Å; W268-K296 HydrophobicContact CE3-CG 4.1Å; W268-K296 HydrophobicContact CG-CB 3.85Å; W268-K296 HydrophobicContact CG-CG 4.47Å; W268-K296 HydrophobicContact CH2-CD 4.41Å; W268-K296 HydrophobicContact CH2-CG 3.93Å; W268-K296 HydrophobicContact CZ2-CB 4.42Å; W268-K296 HydrophobicContact CZ2-CD 3.75Å; W268-K296 HydrophobicContact CZ2-CG 3.67Å; W268-K296 HydrophobicContact CZ3-CG 4.14Å; W268-Y299 HydrophobicContact CE3-CD1 4.29Å; W268-Y299 HydrophobicContact CE3-CG 4.1Å; W268-Y299 AromaticContact CZ3-CD1 3.73Å; W268-Y299 HydrophobicContact CZ3-CD1 3.73Å; W268-Y299 HydrophobicContact CZ3-CE1 4.37Å; W268-Y299 HydrophobicContact CZ3-CG 4.02Å; W268-F300 AromaticContact CH2-CE2 3.97Å; W268-F300 HydrophobicContact CH2-CE2 3.97Å; W268-F300 HydrophobicContact CH2-CZ 4.13Å; W268-F300 HydrophobicContact CZ3-CE2 4.06Å; W268-F300 HydrophobicContact CZ3-CZ 4.31Å |
| 269 | K | 93.8 | Very high | 93.1 | Very high | 75 Ų | 75 | 59 Ų | 59 | 33% | 0.326 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.2 | -50.3 | 173.5 | 179.4 | 179.9 | 176.5 | -172.4 | 0 | 111.1 | R265 L266 L267 L271 C272 Q273 W295 | R265-K269 WeakPolarHBondContact O-CB 3.47Å; R265-K269 PolarHBondContact O-N 3.32Å; L266-K269 PolarHBondContact O-N 3.31Å; L267-K269 PolarHBondContact O-N 2.9Å; K269-L271 VanDerWaalsContact C-N 3.3Å; K269-L271 PolarHBondContact O-N 3.41Å; K269-C272 PolarHBondContact O-N 2.87Å; K269-Q273 VanDerWaalsContact O-CG 3.32Å; K269-Q273 WeakPolarHBondContact O-CG 3.46Å; K269-Q273 PolarHBondContact O-N 3.46Å; K269-W295 HydrophobicContact CB-CD2 3.68Å; K269-W295 HydrophobicContact CB-CE3 4.09Å; K269-W295 HydrophobicContact CB-CG 3.98Å; K269-W295 HydrophobicContact CB-CZ2 4.26Å; K269-W295 HydrophobicContact CD-CH2 4.34Å; K269-W295 HydrophobicContact CD-CZ2 3.8Å; K269-W295 HydrophobicContact CG-CD2 3.98Å; K269-W295 HydrophobicContact CG-CE3 4.15Å; K269-W295 HydrophobicContact CG-CH2 3.86Å; K269-W295 HydrophobicContact CG-CZ2 3.67Å; K269-W295 HydrophobicContact CG-CZ3 4.09Å |
| 270 | K | 93.6 | Very high | 93 | Very high | 106 Ų | 106 | 60.6 Ų | 60.6 | 46% | 0.461 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.9 | -42.4 | 177.7 | -75.3 | -177.8 | -177.6 | -173.2 | 0 | 111.1 | Q240 L266 L267 Q273 Y274 | Q240-K270 HydrophobicContact CG-CD 4.34Å; L266-K270 WeakPolarHBondContact O-CB 3.28Å; L266-K270 WeakPolarHBondContact O-CG 3.5Å; L266-K270 PolarHBondContact O-N 3.28Å; L267-K270 PolarHBondContact O-N 3.31Å; K270-Q273 PolarHBondContact O-N 3.48Å; K270-Y274 WeakPolarHBondContact O-CB 3.29Å; K270-Y274 PolarHBondContact O-N 2.96Å |
| 271 | L | 93.6 | Very high | 92.9 | Very high | 9 Ų | 9 | 57.5 Ų | 57.5 | 5% | 0.047 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.2 | -44.6 | 177.8 | -173.8 | 65 | 0 | 0 | 0 | 112.2 | G245 L248 L267 W268 K269 Q273 Y274 H275 Y299 | G245-L271 VanDerWaalsContact CA-CD2 3.49Å; L248-L271 HydrophobicContact CD1-CD2 3.92Å; L267-L271 PolarHBondContact O-N 3.11Å; W268-L271 HydrophobicContact CE3-CD2 4.04Å; W268-L271 HydrophobicContact CZ3-CD2 4.03Å; W268-L271 PolarHBondContact O-N 3.1Å; K269-L271 VanDerWaalsContact C-N 3.3Å; K269-L271 PolarHBondContact O-N 3.41Å; L271-Q273 PolarHBondContact O-N 3.2Å; L271-Y274 WeakPolarHBondContact O-CB 3.45Å; L271-Y274 PolarHBondContact O-N 3.21Å; L271-H275 PolarHBondContact O-CD2 3.26Å; L271-H275 VanDerWaalsContact O-CD2 3.29Å; L271-H275 PolarHBondContact O-N 3.44Å; L271-Y299 HydrophobicContact CD1-CE2 4.31Å; L271-Y299 HydrophobicContact CD2-CD2 3.8Å; L271-Y299 HydrophobicContact CD2-CE1 4.31Å; L271-Y299 HydrophobicContact CD2-CE2 3.54Å; L271-Y299 HydrophobicContact CD2-CG 4.29Å; L271-Y299 HydrophobicContact CG-CD2 3.83Å; L271-Y299 HydrophobicContact CG-CE2 3.53Å |
| 272 | C | 93.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.6 | -47.4 | 173 | -80.5 | 0 | 0 | 0 | 0 | 112 | W268 K269 Y274 H275 F276 I281 W295 Y299 | W268-C272 WeakPolarHBondContact O-CB 3.46Å; W268-C272 PolarHBondContact O-N 3.35Å; W268-C272 PolarHBondContact O-SG 2.92Å; K269-C272 PolarHBondContact O-N 2.87Å; C272-Y274 PolarHBondContact O-N 2.92Å; C272-H275 PolarHBondContact O-N 3.08Å; C272-F276 WeakPolarHBondContact O-CB 3.5Å; C272-F276 WeakPolarHBondContact O-CD2 3.33Å; C272-F276 PolarHBondContact O-N 3.05Å; C272-I281 HydrophobicContact CB-CD1 4.33Å; C272-W295 HydrophobicContact CB-CE3 4Å; C272-W295 HydrophobicContact CB-CZ3 4.19Å; C272-Y299 VanDerWaalsContact SG-CA 3.57Å; C272-Y299 VanDerWaalsContact SG-CB 3.59Å |
| 273 | Q | 93.1 | Very high | 92.6 | Very high | 93 Ų | 93 | 69.3 Ų | 69.3 | 44% | 0.435 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -67.4 | -25.5 | 179.7 | -70 | 178.4 | -45.1 | 0 | 0 | 112.8 | K269 K270 L271 I281 | K269-Q273 VanDerWaalsContact O-CG 3.32Å; K269-Q273 WeakPolarHBondContact O-CG 3.46Å; K269-Q273 PolarHBondContact O-N 3.46Å; K270-Q273 PolarHBondContact O-N 3.48Å; L271-Q273 PolarHBondContact O-N 3.2Å; Q273-I281 HydrophobicContact CG-CD1 4.23Å |
| 274 | Y | 92.1 | Very high | 92.3 | Very high | 68 Ų | 68 | 69.2 Ų | 69.2 | 27% | 0.267 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -71.1 | -39.7 | 176.1 | 174.3 | -102.1 | 0 | 0 | 0 | 112.4 | T243 K270 L271 C272 R309 Q311 | T243-Y274 HydrophobicContact CG2-CE1 3.88Å; K270-Y274 WeakPolarHBondContact O-CB 3.29Å; K270-Y274 PolarHBondContact O-N 2.96Å; L271-Y274 WeakPolarHBondContact O-CB 3.45Å; L271-Y274 PolarHBondContact O-N 3.21Å; C272-Y274 PolarHBondContact O-N 2.92Å; Y274-R309 VanDerWaalsContact O-CD 3.24Å; Y274-R309 WeakPolarHBondContact O-CD 3.38Å; Y274-Q311 PolarHBondContact OH-OE1 3.46Å |
| 275 | H | 91.2 | Very high | 92.1 | Very high | 19 Ų | 19 | 71.1 Ų | 71.1 | 9% | 0.088 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -94.4 | -29.9 | -178.1 | -67.5 | -73.1 | 0 | 0 | 0 | 114.8 | T243 L271 C272 Y299 H308 | T243-H275 PolarHBondContact O-CE1 2.86Å; T243-H275 PolarHBondContact O-NE2 3.48Å; L271-H275 PolarHBondContact O-CD2 3.26Å; L271-H275 VanDerWaalsContact O-CD2 3.29Å; L271-H275 PolarHBondContact O-N 3.44Å; C272-H275 PolarHBondContact O-N 3.08Å; H275-Y299 AromaticContact CD2-CE2 3.83Å; H275-H308 AromaticContact ND1-CD2 3.99Å |
| 276 | F | 93.3 | Very high | 91.9 | Very high | 6 Ų | 6 | 66.9 Ų | 66.9 | 3% | 0.026 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -124.3 | 142.2 | -168.3 | -48.9 | -64.9 | 0 | 0 | 0 | 111.4 | C272 Q280 I281 Y299 L302 Y306 | C272-F276 WeakPolarHBondContact O-CB 3.5Å; C272-F276 WeakPolarHBondContact O-CD2 3.33Å; C272-F276 PolarHBondContact O-N 3.05Å; F276-Q280 HydrophobicContact CB-CB 4.33Å; F276-I281 HydrophobicContact CB-CD1 4.32Å; F276-I281 HydrophobicContact CB-CG1 3.93Å; F276-Y299 HydrophobicContact CE2-CD2 4.09Å; F276-Y299 HydrophobicContact CE2-CE2 4.31Å; F276-L302 HydrophobicContact CB-CD1 4.43Å; F276-L302 HydrophobicContact CD1-CB 4.21Å; F276-L302 HydrophobicContact CD2-CB 3.69Å; F276-L302 HydrophobicContact CD2-CD1 3.63Å; F276-L302 HydrophobicContact CD2-CG 4.25Å; F276-L302 HydrophobicContact CE1-CB 4Å; F276-L302 HydrophobicContact CE2-CB 3.45Å; F276-L302 VanDerWaalsContact CE2-CB 3.45Å; F276-L302 HydrophobicContact CE2-CD1 4.14Å; F276-L302 HydrophobicContact CE2-CG 4.43Å; F276-L302 HydrophobicContact CG-CB 4.06Å; F276-L302 HydrophobicContact CG-CD1 4.11Å; F276-L302 HydrophobicContact CZ-CB 3.63Å; F276-Y306 HydrophobicContact CD1-CD2 4.49Å |
| 277 | T | 92.3 | Very high | 91.7 | Very high | 80 Ų | 80 | 66.8 Ų | 66.8 | 49% | 0.491 | 30% | 0.303 | S | S | . | . | trans | -69.9 | 153.4 | 174.2 | 62.8 | 0 | 0 | 0 | 0 | 111.2 | R279 Q280 I281 | T277-R279 PolarHBondContact O-N 3.41Å; T277-R279 VanDerWaalsContact O-N 3.08Å; T277-Q280 WeakPolarHBondContact O-CB 3.39Å; T277-Q280 PolarHBondContact O-N 2.91Å; T277-Q280 WeakPolarHBondContact OG1-CG 3.32Å; T277-Q280 PolarHBondContact OG1-N 3.43Å; T277-Q280 PolarHBondContact OG1-OE1 3.34Å; T277-I281 WeakPolarHBondContact O-CG1 3.37Å; T277-I281 PolarHBondContact O-N 2.88Å | ||
| 278 | D | 91.8 | Very high | 91.3 | Very high | 92 Ų | 92 | 68.1 Ų | 68.1 | 49% | 0.492 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -55.5 | -32.2 | 175.6 | -69.2 | -35.4 | 0 | 0 | 0 | 112.5 | I281 R282 | D278-I281 PolarHBondContact O-N 3.28Å; D278-R282 WeakPolarHBondContact O-CB 3.39Å; D278-R282 VanDerWaalsContact O-CG 3.27Å; D278-R282 WeakPolarHBondContact O-CG 3.49Å; D278-R282 PolarHBondContact O-N 3.29Å |
| 279 | R | 92 | Very high | 90.6 | Very high | 174 Ų | 174 | 78 Ų | 78 | 66% | 0.657 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -64.6 | -43.3 | 175.1 | -172.4 | 179.1 | -177.7 | -170.7 | 0 | 111.9 | T277 K283 | T277-R279 PolarHBondContact O-N 3.41Å; T277-R279 VanDerWaalsContact O-N 3.08Å; R279-K283 WeakPolarHBondContact O-CG 3.5Å; R279-K283 PolarHBondContact O-N 3.11Å |
| 280 | Q | 91.6 | Very high | 90.1 | Very high | 50 Ų | 50 | 82.9 Ų | 82.9 | 23% | 0.234 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -66.8 | -42.6 | 177.3 | -72.9 | 163.3 | -41.3 | 0 | 0 | 111.2 | F276 T277 K283 Y306 | F276-Q280 HydrophobicContact CB-CB 4.33Å; T277-Q280 WeakPolarHBondContact O-CB 3.39Å; T277-Q280 PolarHBondContact O-N 2.91Å; T277-Q280 WeakPolarHBondContact OG1-CG 3.32Å; T277-Q280 PolarHBondContact OG1-N 3.43Å; T277-Q280 PolarHBondContact OG1-OE1 3.34Å; Q280-K283 PolarHBondContact O-N 2.95Å; Q280-Y306 HydrophobicContact CB-CD2 4.11Å; Q280-Y306 HydrophobicContact CB-CE2 3.78Å; Q280-Y306 HydrophobicContact CG-CD1 4.06Å; Q280-Y306 HydrophobicContact CG-CD2 4.21Å; Q280-Y306 HydrophobicContact CG-CE1 3.85Å; Q280-Y306 HydrophobicContact CG-CE2 4Å; Q280-Y306 HydrophobicContact CG-CG 4.23Å |
| 281 | I | 91.8 | Very high | 89.6 | Confident | 8 Ų | 8 | 80.5 Ų | 80.5 | 4% | 0.041 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.8 | -49.5 | 178.6 | -64.4 | 171 | 0 | 0 | 0 | 110.6 | C272 Q273 F276 T277 D278 K283 R284 L285 W295 M298 L302 | C272-I281 HydrophobicContact CB-CD1 4.33Å; Q273-I281 HydrophobicContact CG-CD1 4.23Å; F276-I281 HydrophobicContact CB-CD1 4.32Å; F276-I281 HydrophobicContact CB-CG1 3.93Å; T277-I281 WeakPolarHBondContact O-CG1 3.37Å; T277-I281 PolarHBondContact O-N 2.88Å; D278-I281 PolarHBondContact O-N 3.28Å; I281-K283 PolarHBondContact O-N 2.9Å; I281-R284 CarbonylContact O-C 3.58Å; I281-R284 PolarHBondContact O-N 3.4Å; I281-L285 HydrophobicContact CG2-CD2 4.34Å; I281-L285 PolarHBondContact O-N 3.34Å; I281-W295 HydrophobicContact CG2-CH2 4.33Å; I281-W295 HydrophobicContact CG2-CZ3 3.95Å; I281-M298 HydrophobicContact CG2-CE 3.71Å; I281-L302 HydrophobicContact CG1-CD1 3.95Å |
| 282 | R | 89.9 | Confident | 89.2 | Confident | 167 Ų | 167 | 85.4 Ų | 85.4 | 63% | 0.63 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -59.6 | -30.6 | 179.5 | -76.5 | -172.2 | -68.9 | -114.7 | 3.5 | 113.6 | D278 R284 | D278-R282 WeakPolarHBondContact O-CB 3.39Å; D278-R282 VanDerWaalsContact O-CG 3.27Å; D278-R282 WeakPolarHBondContact O-CG 3.49Å; D278-R282 PolarHBondContact O-N 3.29Å; R282-R284 PolarHBondContact O-N 3.36Å |
| 283 | K | 90.1 | Very high | 89 | Confident | 119 Ų | 119 | 88 Ų | 88 | 52% | 0.517 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -12.2 | 177.9 | -77.4 | -177.8 | 176.4 | -170.7 | 0 | 114.3 | R279 Q280 I281 | R279-K283 WeakPolarHBondContact O-CG 3.5Å; R279-K283 PolarHBondContact O-N 3.11Å; Q280-K283 PolarHBondContact O-N 2.95Å; I281-K283 PolarHBondContact O-N 2.9Å |
| 284 | R | 87.1 | Confident | 89 | Confident | 106 Ų | 106 | 86.3 Ų | 86.3 | 40% | 0.4 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -140.3 | 38.5 | -171.5 | -62.5 | -67.7 | -175.1 | -111.1 | 7 | 111.7 | I281 R282 L302 | I281-R284 CarbonylContact O-C 3.58Å; I281-R284 PolarHBondContact O-N 3.4Å; R282-R284 PolarHBondContact O-N 3.36Å; R284-L302 HydrophobicContact CB-CD2 3.87Å; R284-L302 HydrophobicContact CG-CD2 4.09Å |
| 285 | L | 89.3 | Confident | 89.1 | Confident | 91 Ų | 91 | 84.2 Ų | 84.2 | 48% | 0.476 | 41% | 0.405 | S | S | . | . | trans | -61.2 | 138.8 | 175.9 | -63.5 | 175.3 | 0 | 0 | 0 | 110.7 | I281 L293 M298 | I281-L285 HydrophobicContact CG2-CD2 4.34Å; I281-L285 PolarHBondContact O-N 3.34Å; L285-L293 HydrophobicContact CB-CD2 4.38Å; L285-L293 HydrophobicContact CD2-CD2 4.01Å; L285-M298 HydrophobicContact CD2-CE 3.81Å | ||
| 286 | M | 86.9 | Confident | 89.2 | Confident | 49 Ų | 49 | 86 Ų | 86 | 24% | 0.241 | 41% | 0.413 | C | S | . | . | trans | -128.6 | 126.6 | 171.7 | -60.6 | -178.3 | 62.3 | 0 | 0 | 107.9 | L293 E294 K297 M298 K301 | M286-L293 WeakPolarHBondContact O-CA 3.22Å; M286-E294 HydrophobicContact CB-CB 4.47Å; M286-E294 PolarHBondContact O-N 2.82Å; M286-K297 HydrophobicContact CE-CB 4.05Å; M286-K297 HydrophobicContact CE-CD 4.27Å; M286-K297 HydrophobicContact SD-CB 4.15Å; M286-M298 HydrophobicContact CB-CG 3.68Å; M286-M298 HydrophobicContact CB-SD 4.38Å; M286-M298 HydrophobicContact CG-CG 3.88Å; M286-M298 HydrophobicContact SD-CG 4.33Å; M286-K301 HydrophobicContact SD-CB 4.41Å; M286-K301 HydrophobicContact SD-CD 3.65Å | ||
| 287 | V | 88.5 | Confident | 89.2 | Confident | 83 Ų | 83 | 91 Ų | 91 | 50% | 0.503 | 44% | 0.435 | S | S | . | . | B | Isolated β-bridge | trans | -117.5 | 135.3 | -177 | -167.3 | 0 | 0 | 0 | 0 | 107.4 | G291 H292 L293 | V287-G291 VanDerWaalsContact CG1-CA 3.43Å; V287-H292 CarbonylContact C-O 3.55Å; V287-H292 WeakPolarHBondContact CA-O 3.12Å; V287-L293 HydrophobicContact CG2-CD2 4.1Å |
| 288 | S | 86.8 | Confident | 89.3 | Confident | 32 Ų | 32 | 87.2 Ų | 87.2 | 22% | 0.224 | 41% | 0.411 | C | S | . | . | trans | -72.5 | 167.6 | 172.4 | 70.6 | 0 | 0 | 0 | 0 | 110.8 | K290 G291 H292 | S288-K290 PolarHBondContact O-N 3.23Å; S288-K290 PolarHBondContact OG-N 3.46Å; S288-G291 PolarHBondContact O-N 3.45Å; S288-H292 PolarHBondContact N-O 3.35Å; S288-H292 PolarHBondContact OG-N 3.3Å; S288-H292 PolarHBondContact OG-O 2.86Å | ||
| 289 | E | 81.1 | Confident | 89.4 | Confident | 210 Ų | 210 | 82.9 Ų | 82.9 | 98% | 0.981 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -26.5 | 174.3 | -63.6 | 175.4 | -179.9 | 0 | 0 | 112.9 | G291 | E289-G291 VanDerWaalsContact C-N 3.29Å; E289-G291 PolarHBondContact O-N 3Å |
| 290 | K | 82.2 | Confident | 89.5 | Confident | 179 Ų | 179 | 78 Ų | 78 | 78% | 0.778 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | 7.1 | 177.4 | -59.5 | -177.1 | -179.6 | -179.2 | 0 | 113.7 | S288 H292 | S288-K290 PolarHBondContact O-N 3.23Å; S288-K290 PolarHBondContact OG-N 3.46Å; K290-H292 VanDerWaalsContact C-N 3.34Å; K290-H292 PolarHBondContact O-N 3.23Å |
| 291 | G | 82.7 | Confident | 89.5 | Confident | 55 Ų | 55 | 80.2 Ų | 80.2 | 57% | 0.567 | 38% | 0.381 | S | S | * | . | S | Bend | trans | 78.7 | 11.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | V287 S288 E289 | V287-G291 VanDerWaalsContact CG1-CA 3.43Å; S288-G291 PolarHBondContact O-N 3.45Å; E289-G291 VanDerWaalsContact C-N 3.29Å; E289-G291 PolarHBondContact O-N 3Å |
| 292 | H | 86.6 | Confident | 89.5 | Confident | 112 Ų | 112 | 79.8 Ų | 79.8 | 52% | 0.519 | 38% | 0.379 | S | S | . | . | trans | -99.1 | 142.9 | -179.1 | -62.2 | -37.4 | 0 | 0 | 0 | 112.4 | V287 S288 K290 E294 | V287-H292 CarbonylContact C-O 3.55Å; V287-H292 WeakPolarHBondContact CA-O 3.12Å; S288-H292 PolarHBondContact N-O 3.35Å; S288-H292 PolarHBondContact OG-N 3.3Å; S288-H292 PolarHBondContact OG-O 2.86Å; K290-H292 VanDerWaalsContact C-N 3.34Å; K290-H292 PolarHBondContact O-N 3.23Å; H292-E294 PolarHBondContact O-N 3.48Å | ||
| 293 | L | 88.8 | Confident | 89.5 | Confident | 56 Ų | 56 | 73.1 Ų | 73.1 | 29% | 0.293 | 36% | 0.357 | S | S | . | . | B | Isolated β-bridge | trans | -67.2 | 127 | 176.1 | -69.4 | 173.1 | 0 | 0 | 0 | 112 | L285 M286 V287 W295 M298 | L285-L293 HydrophobicContact CB-CD2 4.38Å; L285-L293 HydrophobicContact CD2-CD2 4.01Å; M286-L293 WeakPolarHBondContact O-CA 3.22Å; V287-L293 HydrophobicContact CG2-CD2 4.1Å; L293-W295 HydrophobicContact CB-CZ2 4.4Å; L293-W295 HydrophobicContact CD1-CH2 4.21Å; L293-W295 HydrophobicContact CD1-CZ2 3.56Å; L293-W295 PolarHBondContact O-N 3.21Å; L293-W295 VanDerWaalsContact O-N 3.15Å; L293-M298 HydrophobicContact CB-SD 4.39Å; L293-M298 HydrophobicContact CD2-SD 4.2Å |
| 294 | E | 92.5 | Very high | 89.5 | Confident | 56 Ų | 56 | 78.4 Ų | 78.4 | 26% | 0.262 | 37% | 0.374 | S | S | . | . | trans | -88 | 69.5 | 178.7 | -63 | -163.2 | 108.2 | 0 | 0 | 111.4 | M286 H292 K296 K297 M298 | M286-E294 HydrophobicContact CB-CB 4.47Å; M286-E294 PolarHBondContact O-N 2.82Å; H292-E294 PolarHBondContact O-N 3.48Å; E294-K296 VanDerWaalsContact C-N 3.26Å; E294-K296 PolarHBondContact O-N 3.08Å; E294-K296 VanDerWaalsContact O-N 3.14Å; E294-K297 HydrophobicContact CB-CB 4.24Å; E294-K297 HydrophobicContact CB-CD 4.36Å; E294-K297 HydrophobicContact CB-CG 4.48Å; E294-K297 PolarHBondContact O-N 3.38Å; E294-K297 VanDerWaalsContact O-N 3.08Å; E294-K297 WeakPolarHBondContact OE1-CE 3.17Å; E294-K297 IonicContact OE1-NZ 3.11Å; E294-K297 PolarHBondContact OE1-NZ 2.66Å; E294-K297 VanDerWaalsContact OE2-CD 3.3Å; E294-K297 WeakPolarHBondContact OE2-CD 3.42Å; E294-K297 IonicContact OE2-NZ 2.88Å; E294-K297 PolarHBondContact OE2-NZ 2.87Å; E294-M298 WeakPolarHBondContact O-CG 3.45Å; E294-M298 PolarHBondContact O-N 3.01Å | ||
| 295 | W | 94.2 | Very high | 89.5 | Confident | 25 Ų | 25 | 76.5 Ų | 76.5 | 10% | 0.095 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -52.7 | -38.8 | -173.4 | -68.8 | 98.6 | 0 | 0 | 0 | 114.4 | R265 W268 K269 C272 I281 L293 M298 Y299 | R265-W295 VanDerWaalsContact CG-CD1 3.43Å; R265-W295 HydrophobicContact CG-CG 4.49Å; W268-W295 HydrophobicContact CB-CB 3.54Å; K269-W295 HydrophobicContact CB-CD2 3.68Å; K269-W295 HydrophobicContact CB-CE3 4.09Å; K269-W295 HydrophobicContact CB-CG 3.98Å; K269-W295 HydrophobicContact CB-CZ2 4.26Å; K269-W295 HydrophobicContact CD-CH2 4.34Å; K269-W295 HydrophobicContact CD-CZ2 3.8Å; K269-W295 HydrophobicContact CG-CD2 3.98Å; K269-W295 HydrophobicContact CG-CE3 4.15Å; K269-W295 HydrophobicContact CG-CH2 3.86Å; K269-W295 HydrophobicContact CG-CZ2 3.67Å; K269-W295 HydrophobicContact CG-CZ3 4.09Å; C272-W295 HydrophobicContact CB-CE3 4Å; C272-W295 HydrophobicContact CB-CZ3 4.19Å; I281-W295 HydrophobicContact CG2-CH2 4.33Å; I281-W295 HydrophobicContact CG2-CZ3 3.95Å; L293-W295 HydrophobicContact CB-CZ2 4.4Å; L293-W295 HydrophobicContact CD1-CH2 4.21Å; L293-W295 HydrophobicContact CD1-CZ2 3.56Å; L293-W295 PolarHBondContact O-N 3.21Å; L293-W295 VanDerWaalsContact O-N 3.15Å; W295-M298 HydrophobicContact CE3-CE 4.31Å; W295-M298 HydrophobicContact CZ3-CE 4.21Å; W295-M298 PolarHBondContact O-N 3Å; W295-Y299 WeakPolarHBondContact O-CB 3.36Å; W295-Y299 PolarHBondContact O-N 3.3Å |
| 296 | K | 94.2 | Very high | 89.4 | Confident | 56 Ų | 56 | 74.7 Ų | 74.7 | 24% | 0.243 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62 | -48.5 | 177.1 | -177.8 | 174.3 | -177 | -175.1 | 0 | 112.4 | E263 W268 E294 Y299 F300 | E263-K296 IonicContact OE1-NZ 2.68Å; E263-K296 PolarHBondContact OE1-NZ 3.41Å; E263-K296 IonicContact OE2-NZ 3.14Å; E263-K296 PolarHBondContact OE2-NZ 2.92Å; W268-K296 HydrophobicContact CD2-CB 3.69Å; W268-K296 HydrophobicContact CD2-CD 4.48Å; W268-K296 HydrophobicContact CD2-CG 3.83Å; W268-K296 HydrophobicContact CE3-CB 4.15Å; W268-K296 HydrophobicContact CE3-CG 4.1Å; W268-K296 HydrophobicContact CG-CB 3.85Å; W268-K296 HydrophobicContact CG-CG 4.47Å; W268-K296 HydrophobicContact CH2-CD 4.41Å; W268-K296 HydrophobicContact CH2-CG 3.93Å; W268-K296 HydrophobicContact CZ2-CB 4.42Å; W268-K296 HydrophobicContact CZ2-CD 3.75Å; W268-K296 HydrophobicContact CZ2-CG 3.67Å; W268-K296 HydrophobicContact CZ3-CG 4.14Å; E294-K296 VanDerWaalsContact C-N 3.26Å; E294-K296 PolarHBondContact O-N 3.08Å; E294-K296 VanDerWaalsContact O-N 3.14Å; K296-Y299 WeakPolarHBondContact O-CB 3.12Å; K296-Y299 PolarHBondContact O-N 3.49Å; K296-F300 HydrophobicContact CG-CE2 4.21Å; K296-F300 VanDerWaalsContact O-CD2 3.24Å; K296-F300 WeakPolarHBondContact O-CD2 3.48Å; K296-F300 PolarHBondContact O-N 3.41Å |
| 297 | K | 93 | Very high | 89.1 | Confident | 111 Ų | 111 | 76.2 Ų | 76.2 | 48% | 0.483 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -67.3 | -39.4 | 176.8 | -66.2 | -176.2 | -169.5 | 160.7 | 0 | 111.3 | M286 E294 Y299 F300 K301 | M286-K297 HydrophobicContact CE-CB 4.05Å; M286-K297 HydrophobicContact CE-CD 4.27Å; M286-K297 HydrophobicContact SD-CB 4.15Å; E294-K297 HydrophobicContact CB-CB 4.24Å; E294-K297 HydrophobicContact CB-CD 4.36Å; E294-K297 HydrophobicContact CB-CG 4.48Å; E294-K297 PolarHBondContact O-N 3.38Å; E294-K297 VanDerWaalsContact O-N 3.08Å; E294-K297 WeakPolarHBondContact OE1-CE 3.17Å; E294-K297 IonicContact OE1-NZ 3.11Å; E294-K297 PolarHBondContact OE1-NZ 2.66Å; E294-K297 VanDerWaalsContact OE2-CD 3.3Å; E294-K297 WeakPolarHBondContact OE2-CD 3.42Å; E294-K297 IonicContact OE2-NZ 2.88Å; E294-K297 PolarHBondContact OE2-NZ 2.87Å; K297-Y299 VanDerWaalsContact C-N 3.33Å; K297-Y299 PolarHBondContact O-N 3.22Å; K297-F300 PolarHBondContact O-N 3.46Å; K297-K301 WeakPolarHBondContact O-CB 3.38Å; K297-K301 PolarHBondContact O-N 2.91Å; K297-K301 VanDerWaalsContact O-N 3.07Å |
| 298 | M | 93.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -59.2 | -43.6 | 175.1 | -70.9 | 175.3 | 56.7 | 0 | 0 | 111.7 | I281 L285 M286 L293 E294 W295 F300 K301 L302 | I281-M298 HydrophobicContact CG2-CE 3.71Å; L285-M298 HydrophobicContact CD2-CE 3.81Å; M286-M298 HydrophobicContact CB-CG 3.68Å; M286-M298 HydrophobicContact CB-SD 4.38Å; M286-M298 HydrophobicContact CG-CG 3.88Å; M286-M298 HydrophobicContact SD-CG 4.33Å; L293-M298 HydrophobicContact CB-SD 4.39Å; L293-M298 HydrophobicContact CD2-SD 4.2Å; E294-M298 WeakPolarHBondContact O-CG 3.45Å; E294-M298 PolarHBondContact O-N 3.01Å; W295-M298 HydrophobicContact CE3-CE 4.31Å; W295-M298 HydrophobicContact CZ3-CE 4.21Å; W295-M298 PolarHBondContact O-N 3Å; M298-F300 PolarHBondContact O-N 3.13Å; M298-K301 PolarHBondContact O-N 3.37Å; M298-L302 WeakPolarHBondContact O-CB 3.46Å; M298-L302 VanDerWaalsContact O-CG 3.25Å; M298-L302 WeakPolarHBondContact O-CG 3.25Å; M298-L302 PolarHBondContact O-N 2.98Å |
| 299 | Y | 94.2 | Very high | 88.6 | Confident | 2 Ų | 2 | 80.7 Ų | 80.7 | 1% | 0.008 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -52.7 | -58.1 | 176.9 | 175.3 | -96.6 | 0 | 0 | 0 | 110.9 | G245 W268 L271 C272 H275 F276 W295 K296 K297 K301 L302 S303 | G245-Y299 PolarHBondContact N-OH 3.45Å; W268-Y299 HydrophobicContact CE3-CD1 4.29Å; W268-Y299 HydrophobicContact CE3-CG 4.1Å; W268-Y299 AromaticContact CZ3-CD1 3.73Å; W268-Y299 HydrophobicContact CZ3-CD1 3.73Å; W268-Y299 HydrophobicContact CZ3-CE1 4.37Å; W268-Y299 HydrophobicContact CZ3-CG 4.02Å; L271-Y299 HydrophobicContact CD1-CE2 4.31Å; L271-Y299 HydrophobicContact CD2-CD2 3.8Å; L271-Y299 HydrophobicContact CD2-CE1 4.31Å; L271-Y299 HydrophobicContact CD2-CE2 3.54Å; L271-Y299 HydrophobicContact CD2-CG 4.29Å; L271-Y299 HydrophobicContact CG-CD2 3.83Å; L271-Y299 HydrophobicContact CG-CE2 3.53Å; C272-Y299 VanDerWaalsContact SG-CA 3.57Å; C272-Y299 VanDerWaalsContact SG-CB 3.59Å; H275-Y299 AromaticContact CD2-CE2 3.83Å; F276-Y299 HydrophobicContact CE2-CD2 4.09Å; F276-Y299 HydrophobicContact CE2-CE2 4.31Å; W295-Y299 WeakPolarHBondContact O-CB 3.36Å; W295-Y299 PolarHBondContact O-N 3.3Å; K296-Y299 WeakPolarHBondContact O-CB 3.12Å; K296-Y299 PolarHBondContact O-N 3.49Å; K297-Y299 VanDerWaalsContact C-N 3.33Å; K297-Y299 PolarHBondContact O-N 3.22Å; Y299-K301 VanDerWaalsContact C-N 3.27Å; Y299-K301 PolarHBondContact O-N 3.45Å; Y299-L302 PolarHBondContact O-N 3.37Å; Y299-L302 VanDerWaalsContact O-N 3.13Å; Y299-S303 WeakPolarHBondContact O-CB 3.39Å; Y299-S303 PolarHBondContact O-N 2.84Å; Y299-S303 PolarHBondContact O-OG 3.45Å |
| 300 | F | 93.7 | Very high | 88.5 | Confident | 72 Ų | 72 | 74 Ų | 74 | 32% | 0.316 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63 | -32.8 | -178.5 | -70.1 | -68.3 | 0 | 0 | 0 | 113.3 | R246 V249 W268 K296 K297 M298 R304 | R246-F300 HydrophobicContact CG-CE1 3.95Å; V249-F300 HydrophobicContact CG2-CE2 4.16Å; V249-F300 HydrophobicContact CG2-CZ 3.81Å; W268-F300 AromaticContact CH2-CE2 3.97Å; W268-F300 HydrophobicContact CH2-CE2 3.97Å; W268-F300 HydrophobicContact CH2-CZ 4.13Å; W268-F300 HydrophobicContact CZ3-CE2 4.06Å; W268-F300 HydrophobicContact CZ3-CZ 4.31Å; K296-F300 HydrophobicContact CG-CE2 4.21Å; K296-F300 VanDerWaalsContact O-CD2 3.24Å; K296-F300 WeakPolarHBondContact O-CD2 3.48Å; K296-F300 PolarHBondContact O-N 3.41Å; K297-F300 PolarHBondContact O-N 3.46Å; M298-F300 PolarHBondContact O-N 3.13Å; F300-R304 WeakPolarHBondContact O-CG 3.34Å; F300-R304 PolarHBondContact O-N 3.12Å |
| 301 | K | 92.2 | Very high | 88.3 | Confident | 95 Ų | 95 | 71.9 Ų | 71.9 | 41% | 0.413 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.8 | -43.6 | 174.8 | -169.8 | 170 | -174.4 | 173.3 | 0 | 111.8 | M286 K297 M298 Y299 R304 C305 | M286-K301 HydrophobicContact SD-CB 4.41Å; M286-K301 HydrophobicContact SD-CD 3.65Å; K297-K301 WeakPolarHBondContact O-CB 3.38Å; K297-K301 PolarHBondContact O-N 2.91Å; K297-K301 VanDerWaalsContact O-N 3.07Å; M298-K301 PolarHBondContact O-N 3.37Å; Y299-K301 VanDerWaalsContact C-N 3.27Å; Y299-K301 PolarHBondContact O-N 3.45Å; K301-R304 PolarHBondContact O-N 3.36Å; K301-C305 PolarHBondContact O-N 3.18Å; K301-C305 PolarHBondContact O-SG 3.1Å |
| 302 | L | 92.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.2 | -43 | 176.7 | -71.3 | 169.2 | 0 | 0 | 0 | 111.2 | F276 I281 R284 M298 Y299 R304 C305 Y306 | F276-L302 HydrophobicContact CB-CD1 4.43Å; F276-L302 HydrophobicContact CD1-CB 4.21Å; F276-L302 HydrophobicContact CD2-CB 3.69Å; F276-L302 HydrophobicContact CD2-CD1 3.63Å; F276-L302 HydrophobicContact CD2-CG 4.25Å; F276-L302 HydrophobicContact CE1-CB 4Å; F276-L302 HydrophobicContact CE2-CB 3.45Å; F276-L302 VanDerWaalsContact CE2-CB 3.45Å; F276-L302 HydrophobicContact CE2-CD1 4.14Å; F276-L302 HydrophobicContact CE2-CG 4.43Å; F276-L302 HydrophobicContact CG-CB 4.06Å; F276-L302 HydrophobicContact CG-CD1 4.11Å; F276-L302 HydrophobicContact CZ-CB 3.63Å; I281-L302 HydrophobicContact CG1-CD1 3.95Å; R284-L302 HydrophobicContact CB-CD2 3.87Å; R284-L302 HydrophobicContact CG-CD2 4.09Å; M298-L302 WeakPolarHBondContact O-CB 3.46Å; M298-L302 VanDerWaalsContact O-CG 3.25Å; M298-L302 WeakPolarHBondContact O-CG 3.25Å; M298-L302 PolarHBondContact O-N 2.98Å; Y299-L302 PolarHBondContact O-N 3.37Å; Y299-L302 VanDerWaalsContact O-N 3.13Å; L302-R304 PolarHBondContact O-N 3.18Å; L302-R304 VanDerWaalsContact O-N 3.17Å; L302-C305 PolarHBondContact O-N 3.35Å; L302-Y306 HydrophobicContact CB-CD2 4.43Å; L302-Y306 HydrophobicContact CD2-CD2 3.77Å; L302-Y306 HydrophobicContact CD2-CE2 3.59Å; L302-Y306 PolarHBondContact O-N 3.19Å |
| 303 | S | 90.2 | Very high | 88.2 | Confident | 26 Ų | 26 | 69.1 Ų | 69.1 | 18% | 0.182 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -57.2 | -27.1 | 175.7 | -66.8 | 0 | 0 | 0 | 0 | 114.1 | Y299 H308 | Y299-S303 WeakPolarHBondContact O-CB 3.39Å; Y299-S303 PolarHBondContact O-N 2.84Å; Y299-S303 PolarHBondContact O-OG 3.45Å; S303-H308 VanDerWaalsContact CB-CE1 3.44Å; S303-H308 WeakPolarHBondContact CB-CE1 3.35Å; S303-H308 VanDerWaalsContact CB-NE2 3.27Å; S303-H308 WeakPolarHBondContact CB-NE2 3.26Å; S303-H308 PolarHBondContact OG-CE1 3.14Å; S303-H308 PolarHBondContact OG-NE2 2.97Å |
| 304 | R | 88.9 | Confident | 88.1 | Confident | 230 Ų | 230 | 67 Ų | 67 | 87% | 0.868 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -83.6 | -24.5 | 174.9 | -70.8 | 175.2 | 65.6 | 173.9 | 2.1 | 113.3 | F300 K301 L302 | F300-R304 WeakPolarHBondContact O-CG 3.34Å; F300-R304 PolarHBondContact O-N 3.12Å; K301-R304 PolarHBondContact O-N 3.36Å; L302-R304 PolarHBondContact O-N 3.18Å; L302-R304 VanDerWaalsContact O-N 3.17Å |
| 305 | C | 86.9 | Confident | 88 | Confident | 67 Ų | 67 | 65.4 Ų | 65.4 | 45% | 0.453 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -98.6 | -25.2 | -175.3 | -66.8 | 0 | 0 | 0 | 0 | 113.4 | K301 L302 | K301-C305 PolarHBondContact O-N 3.18Å; K301-C305 PolarHBondContact O-SG 3.1Å; L302-C305 PolarHBondContact O-N 3.35Å |
| 306 | Y | 87.3 | Confident | 87.9 | Confident | 53 Ų | 53 | 64.2 Ų | 64.2 | 21% | 0.208 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -133.5 | 146.2 | -173.3 | -55.7 | -68.4 | 0 | 0 | 0 | 110 | F276 Q280 L302 | F276-Y306 HydrophobicContact CD1-CD2 4.49Å; Q280-Y306 HydrophobicContact CB-CD2 4.11Å; Q280-Y306 HydrophobicContact CB-CE2 3.78Å; Q280-Y306 HydrophobicContact CG-CD1 4.06Å; Q280-Y306 HydrophobicContact CG-CD2 4.21Å; Q280-Y306 HydrophobicContact CG-CE1 3.85Å; Q280-Y306 HydrophobicContact CG-CE2 4Å; Q280-Y306 HydrophobicContact CG-CG 4.23Å; L302-Y306 HydrophobicContact CB-CD2 4.43Å; L302-Y306 HydrophobicContact CD2-CD2 3.77Å; L302-Y306 HydrophobicContact CD2-CE2 3.59Å; L302-Y306 PolarHBondContact O-N 3.19Å |
| 307 | A | 82.2 | Confident | 87.9 | Confident | 81 Ų | 81 | 62.4 Ų | 62.4 | 67% | 0.669 | 30% | 0.301 | S | S | * | . | P | Polyproline II helix | trans | -63 | 142.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 308 | H | 81.4 | Confident | 87.8 | Confident | 70 Ų | 70 | 58.2 Ų | 58.2 | 32% | 0.324 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 149.9 | 173.2 | -65.6 | 84.1 | 0 | 0 | 0 | 109.8 | H275 S303 E310 | H275-H308 AromaticContact ND1-CD2 3.99Å; S303-H308 VanDerWaalsContact CB-CE1 3.44Å; S303-H308 WeakPolarHBondContact CB-CE1 3.35Å; S303-H308 VanDerWaalsContact CB-NE2 3.27Å; S303-H308 WeakPolarHBondContact CB-NE2 3.26Å; S303-H308 PolarHBondContact OG-CE1 3.14Å; S303-H308 PolarHBondContact OG-NE2 2.97Å; H308-E310 PolarHBondContact O-N 3.37Å; H308-E310 VanDerWaalsContact O-N 3.15Å |
| 309 | R | 82.3 | Confident | 87.7 | Confident | 139 Ų | 139 | 58.2 Ų | 58.2 | 53% | 0.525 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -56.9 | 119.2 | 164.9 | -176 | 178.8 | -177.2 | 179 | 1.5 | 110 | Y274 | Y274-R309 VanDerWaalsContact O-CD 3.24Å; Y274-R309 WeakPolarHBondContact O-CD 3.38Å |
| 310 | E | 80.1 | Confident | 87.4 | Confident | 70 Ų | 70 | 61.8 Ų | 61.8 | 33% | 0.327 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -91.8 | 130.9 | 174.3 | -67.5 | 175.2 | -176.1 | 0 | 0 | 109.2 | R126 H308 Y312 | R126-E310 IonicContact CZ-OE1 2.64Å; R126-E310 IonicContact NE-OE1 2.88Å; R126-E310 PolarHBondContact NE-OE1 3.32Å; R126-E310 IonicContact NE-OE2 3.3Å; R126-E310 IonicContact NH2-OE1 3.84Å; R126-E310 PolarHBondContact NH2-OE1 3.11Å; H308-E310 PolarHBondContact O-N 3.37Å; H308-E310 VanDerWaalsContact O-N 3.15Å; E310-Y312 HydrophobicContact CB-CE2 3.78Å; E310-Y312 PolarHBondContact OE2-OH 3.28Å; E310-Y312 VanDerWaalsContact OE2-OH 3.06Å |
| 311 | Q | 77.3 | Confident | 87.1 | Confident | 133 Ų | 133 | 63 Ų | 63 | 62% | 0.621 | 31% | 0.312 | S | S | * | . | trans | -135.2 | 125.5 | 173 | -170.9 | 173.1 | 5.8 | 0 | 0 | 109.5 | Y274 | Y274-Q311 PolarHBondContact OH-OE1 3.46Š| ||
| 312 | Y | 85 | Confident | 86.7 | Confident | 42 Ų | 42 | 59.5 Ų | 59.5 | 17% | 0.165 | 30% | 0.299 | C | S | . | . | trans | -112.4 | 142.8 | 179.4 | -55.8 | -70 | 0 | 0 | 0 | 109.2 | N122 Y123 R126 E310 D314 T315 P348 | N122-Y312 HydrophobicContact CB-CD1 4.19Å; N122-Y312 HydrophobicContact CB-CE1 4.31Å; N122-Y312 WeakPolarHBondContact O-CE1 3.28Å; Y123-Y312 VanDerWaalsContact CA-CD1 3.5Å; Y123-Y312 HydrophobicContact CD2-CD1 4.35Å; Y123-Y312 AromaticContact CD2-CD2 3.91Å; Y123-Y312 HydrophobicContact CD2-CD2 3.91Å; Y123-Y312 HydrophobicContact CD2-CE2 4.38Å; Y123-Y312 AromaticContact CD2-CG 3.9Å; Y123-Y312 HydrophobicContact CD2-CG 3.9Å; Y123-Y312 HydrophobicContact CG-CG 4.49Å; R126-Y312 HydrophobicContact CB-CE1 4.27Å; R126-Y312 WeakPolarHBondContact CB-OH 3.48Å; R126-Y312 VanDerWaalsContact CG-OH 3.23Å; R126-Y312 WeakPolarHBondContact CG-OH 3.39Å; E310-Y312 HydrophobicContact CB-CE2 3.78Å; E310-Y312 PolarHBondContact OE2-OH 3.28Å; E310-Y312 VanDerWaalsContact OE2-OH 3.06Å; Y312-D314 VanDerWaalsContact C-N 3.31Å; Y312-T315 HydrophobicContact CD2-CG2 4.31Å; Y312-T315 HydrophobicContact CG-CG2 4.42Å; Y312-P348 HydrophobicContact CE2-CG 3.76Å | ||
| 313 | S | 82.6 | Confident | 86.5 | Confident | 68 Ų | 68 | 63.9 Ų | 63.9 | 48% | 0.476 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -73.9 | -30.7 | 176.9 | -63.1 | 0 | 0 | 0 | 0 | 111.2 | ||
| 314 | D | 85.9 | Confident | 86.5 | Confident | 12 Ų | 12 | 62.6 Ų | 62.6 | 6% | 0.064 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -143.5 | 147.3 | 174.8 | -166.3 | 8.5 | 0 | 0 | 0 | 110 | R119 R120 Y312 K328 | R119-D314 HydrophobicContact CB-CB 4Å; R119-D314 PolarHBondContact O-N 2.8Å; R120-D314 HydrophobicContact CG-CB 3.84Å; R120-D314 IonicContact CZ-OD2 3.28Å; R120-D314 VanDerWaalsContact CZ-OD2 3.25Å; R120-D314 IonicContact NE-OD2 3.07Å; R120-D314 PolarHBondContact NE-OD2 2.97Å; R120-D314 IonicContact NH2-OD2 3.51Å; R120-D314 PolarHBondContact NH2-OD2 3.49Å; Y312-D314 VanDerWaalsContact C-N 3.31Å; D314-K328 WeakPolarHBondContact OD1-CB 3.48Å |
| 315 | T | 90.8 | Very high | 86.6 | Confident | 21 Ų | 21 | 51.7 Ų | 51.7 | 13% | 0.129 | 27% | 0.27 | C | S | . | . | trans | -137.7 | 165.4 | -170.8 | 51.3 | 0 | 0 | 0 | 0 | 111.1 | Y123 Y312 H317 K328 | Y123-T315 HydrophobicContact CD2-CG2 3.95Å; Y123-T315 HydrophobicContact CE2-CG2 4.1Å; Y312-T315 HydrophobicContact CD2-CG2 4.31Å; Y312-T315 HydrophobicContact CG-CG2 4.42Å; T315-H317 PolarHBondContact O-CD2 3.14Å; T315-H317 PolarHBondContact OG1-NE2 2.83Å; T315-K328 PolarHBondContact O-N 3.49Å | ||
| 316 | L | 92.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 145.6 | 164 | -73.7 | 170 | 0 | 0 | 0 | 110 | L109 F111 Y123 L325 F326 W327 L346 F351 | L109-L316 HydrophobicContact CD1-CD1 4.12Å; L109-L316 HydrophobicContact CD1-CD2 4.27Å; F111-L316 HydrophobicContact CE1-CD1 4.18Å; F111-L316 HydrophobicContact CZ-CD1 3.99Å; Y123-L316 HydrophobicContact CE1-CD1 3.99Å; Y123-L316 HydrophobicContact CE1-CG 4.16Å; L316-L325 HydrophobicContact CB-CD1 4.05Å; L316-F326 CarbonylContact C-O 3.57Å; L316-F326 WeakPolarHBondContact CA-O 3.31Å; L316-F326 WeakPolarHBondContact CD2-O 3.29Å; L316-W327 HydrophobicContact CD2-CD2 3.56Å; L316-W327 HydrophobicContact CD2-CE3 3.86Å; L316-W327 HydrophobicContact CD2-CG 3.96Å; L316-W327 HydrophobicContact CD2-CH2 4.31Å; L316-W327 HydrophobicContact CD2-CZ2 4.04Å; L316-W327 HydrophobicContact CD2-CZ3 4.22Å; L316-W327 HydrophobicContact CG-CD2 4.22Å; L316-W327 HydrophobicContact CG-CE3 4.03Å; L316-W327 HydrophobicContact CG-CH2 4.07Å; L316-W327 HydrophobicContact CG-CZ2 4.24Å; L316-W327 HydrophobicContact CG-CZ3 3.95Å; L316-L346 HydrophobicContact CB-CD1 4.46Å; L316-L346 PolarHBondContact O-N 2.99Å; L316-F351 HydrophobicContact CD1-CD2 3.73Å; L316-F351 HydrophobicContact CD1-CE2 3.99Å; L316-F351 HydrophobicContact CD1-CG 4.19Å |
| 317 | H | 92.7 | Very high | 86.9 | Confident | 19 Ų | 19 | 46.8 Ų | 46.8 | 9% | 0.088 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 138.4 | 178.3 | -76.1 | -120 | 0 | 0 | 0 | 109.6 | T315 L325 F326 T344 | T315-H317 PolarHBondContact O-CD2 3.14Å; T315-H317 PolarHBondContact OG1-NE2 2.83Å; H317-L325 WeakPolarHBondContact O-CA 3.33Å; H317-L325 WeakPolarHBondContact O-CD1 3.28Å; H317-F326 HydrophobicContact CB-CD1 4.38Å; H317-F326 HydrophobicContact CB-CE1 3.89Å; H317-F326 HydrophobicContact CB-CE2 4.07Å; H317-F326 HydrophobicContact CB-CZ 3.7Å; H317-F326 PolarHBondContact N-O 3.36Å; H317-F326 WeakPolarHBondContact O-CD1 3.34Å; H317-F326 PolarHBondContact O-N 2.88Å; H317-T344 WeakPolarHBondContact CA-O 3.47Å |
| 318 | L | 92 | Very high | 87 | Confident | 22 Ų | 22 | 49.3 Ų | 49.3 | 12% | 0.115 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 126.3 | 169.5 | 179.5 | 67 | 0 | 0 | 0 | 108.9 | V88 L325 T344 L346 L354 | V88-L318 HydrophobicContact CB-CD1 4.38Å; V88-L318 HydrophobicContact CG2-CD1 4.43Å; L318-L325 HydrophobicContact CB-CD1 4.5Å; L318-L325 HydrophobicContact CD1-CB 4.48Å; L318-T344 PolarHBondContact N-O 2.99Å; L318-T344 PolarHBondContact O-N 2.92Å; L318-L346 HydrophobicContact CB-CD1 4.09Å; L318-L346 HydrophobicContact CB-CD2 4.37Å; L318-L346 HydrophobicContact CB-CG 4.38Å; L318-L354 HydrophobicContact CD2-CD1 4.17Å; L318-L354 HydrophobicContact CD2-CD2 3.91Å |
| 319 | C | 91.1 | Very high | 87 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 121.5 | 167.1 | -175.2 | 0 | 0 | 0 | 0 | 109.7 | H321 C322 H323 I324 F326 H332 C342 T343 | C319-H321 VanDerWaalsContact C-N 3.25Å; C319-H321 PolarHBondContact O-N 3.49Å; C319-C322 WeakPolarHBondContact CB-SG 3.46Å; C319-C322 PolarHBondContact SG-SG 2.86Å; C319-H323 WeakPolarHBondContact O-CA 3.44Å; C319-H323 PolarHBondContact O-N 2.89Å; C319-I324 PolarHBondContact N-O 3.34Å; C319-F326 HydrophobicContact CB-CE1 4.29Å; C319-H332 WeakPolarHBondContact CB-NE2 3.27Å; C319-C342 CarbonylContact C-O 3.58Å; C319-C342 WeakPolarHBondContact CA-O 3.48Å; C319-T343 HydrophobicContact CB-CG2 4.37Å |
| 320 | T | 88.1 | Confident | 86.8 | Confident | 78 Ų | 78 | 45 Ų | 45 | 48% | 0.479 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -19.5 | 177.9 | 56.8 | 0 | 0 | 0 | 0 | 113 | H323 C342 | T320-H323 PolarHBondContact O-CE1 2.75Å; T320-C342 PolarHBondContact N-O 3.25Å; T320-C342 PolarHBondContact OG1-O 3.2Å; T320-C342 VanDerWaalsContact OG1-O 3.08Å |
| 321 | H | 86.4 | Confident | 86.6 | Confident | 96 Ų | 96 | 49 Ų | 49 | 44% | 0.444 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -52.6 | 179.9 | -178.5 | -89.7 | 0 | 0 | 0 | 112.9 | C319 T335 A336 C342 | C319-H321 VanDerWaalsContact C-N 3.25Å; C319-H321 PolarHBondContact O-N 3.49Å; H321-T335 PolarHBondContact CE1-OG1 2.83Å; H321-A336 HydrophobicContact CB-CB 4.35Å; H321-C342 HydrophobicContact CB-CB 4.12Å |
| 322 | C | 85.7 | Confident | 86.9 | Confident | 22 Ų | 22 | 44 Ų | 44 | 15% | 0.149 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -2.2 | -177.2 | 60.4 | 0 | 0 | 0 | 0 | 113.9 | C319 I324 H332 | C319-C322 WeakPolarHBondContact CB-SG 3.46Å; C319-C322 PolarHBondContact SG-SG 2.86Å; C322-I324 HydrophobicContact CB-CD1 4.11Å; C322-I324 HydrophobicContact CB-CG1 4.09Å; C322-I324 PolarHBondContact O-N 3.24Å; C322-I324 VanDerWaalsContact SG-CD1 3.59Å; C322-I324 VanDerWaalsContact SG-CG1 3.51Å; C322-H332 PolarHBondContact SG-CD2 2.98Å |
| 323 | H | 87.8 | Confident | 86.7 | Confident | 92 Ų | 92 | 45.3 Ų | 45.3 | 43% | 0.426 | 24% | 0.242 | S | C | . | . | trans | 55 | 34.4 | -175.8 | -57.3 | -62.4 | 0 | 0 | 0 | 113.6 | V88 C319 T320 | V88-H323 PolarHBondContact N-O 3.44Å; V88-H323 WeakPolarHBondContact O-CB 3.48Å; C319-H323 WeakPolarHBondContact O-CA 3.44Å; C319-H323 PolarHBondContact O-N 2.89Å; T320-H323 PolarHBondContact O-CE1 2.75Å | ||
| 324 | I | 89.4 | Confident | 86.8 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 133 | 176.3 | -64.3 | 177.9 | 0 | 0 | 0 | 109.6 | W85 I86 Y87 C319 C322 F326 H332 P333 | W85-I324 HydrophobicContact CB-CG2 3.53Å; W85-I324 HydrophobicContact CD2-CG2 4.2Å; W85-I324 HydrophobicContact CE3-CD1 4.27Å; W85-I324 HydrophobicContact CE3-CG2 4.03Å; W85-I324 HydrophobicContact CG-CG2 4.04Å; I86-I324 CarbonylContact O-C 3.31Å; I86-I324 WeakPolarHBondContact O-CA 3.43Å; Y87-I324 HydrophobicContact CD1-CD1 4.21Å; Y87-I324 HydrophobicContact CD1-CG1 3.54Å; Y87-I324 HydrophobicContact CE1-CD1 3.53Å; Y87-I324 HydrophobicContact CE1-CG1 3.39Å; Y87-I324 HydrophobicContact CG-CG1 4.35Å; C319-I324 PolarHBondContact N-O 3.34Å; C322-I324 HydrophobicContact CB-CD1 4.11Å; C322-I324 HydrophobicContact CB-CG1 4.09Å; C322-I324 PolarHBondContact O-N 3.24Å; C322-I324 VanDerWaalsContact SG-CD1 3.59Å; C322-I324 VanDerWaalsContact SG-CG1 3.51Å; I324-F326 HydrophobicContact CG2-CB 4.47Å; I324-F326 HydrophobicContact CG2-CD1 4.22Å; I324-H332 HydrophobicContact CB-CB 4.49Å; I324-H332 HydrophobicContact CD1-CB 4.38Å; I324-H332 HydrophobicContact CG2-CB 3.85Å; I324-P333 HydrophobicContact CD1-CG 4.05Å |
| 325 | L | 91.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 128.8 | 172.9 | 179.8 | 74.9 | 0 | 0 | 0 | 109.9 | W85 I86 V88 L109 L316 H317 L318 L346 F351 | W85-L325 CarbonylContact C-O 3.55Å; W85-L325 WeakPolarHBondContact CA-O 3.48Å; I86-L325 HydrophobicContact CD1-CD2 4.07Å; I86-L325 HydrophobicContact CG1-CB 3.9Å; I86-L325 HydrophobicContact CG1-CD2 4.22Å; I86-L325 PolarHBondContact N-O 3.3Å; I86-L325 PolarHBondContact O-N 3.12Å; V88-L325 HydrophobicContact CG2-CB 3.55Å; V88-L325 HydrophobicContact CG2-CD2 4.17Å; V88-L325 HydrophobicContact CG2-CG 4.45Å; L109-L325 HydrophobicContact CD1-CD2 3.61Å; L109-L325 HydrophobicContact CD1-CG 4.28Å; L316-L325 HydrophobicContact CB-CD1 4.05Å; H317-L325 WeakPolarHBondContact O-CA 3.33Å; H317-L325 WeakPolarHBondContact O-CD1 3.28Å; L318-L325 HydrophobicContact CB-CD1 4.5Å; L318-L325 HydrophobicContact CD1-CB 4.48Å; L325-L346 HydrophobicContact CD1-CD1 3.35Å; L325-F351 HydrophobicContact CD1-CD2 4.49Å; L325-F351 HydrophobicContact CD2-CD2 3.74Å; L325-F351 HydrophobicContact CD2-CE2 3.46Å; L325-F351 VanDerWaalsContact CD2-CE2 3.46Å |
| 326 | F | 90.9 | Very high | 86.2 | Confident | 11 Ų | 11 | 48.3 Ų | 48.3 | 5% | 0.048 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 166.2 | -170.5 | 66.7 | -81.7 | 0 | 0 | 0 | 111.4 | W85 L316 H317 C319 I324 T330 H332 T343 | W85-F326 HydrophobicContact CB-CB 3.61Å; L316-F326 CarbonylContact C-O 3.57Å; L316-F326 WeakPolarHBondContact CA-O 3.31Å; L316-F326 WeakPolarHBondContact CD2-O 3.29Å; H317-F326 HydrophobicContact CB-CD1 4.38Å; H317-F326 HydrophobicContact CB-CE1 3.89Å; H317-F326 HydrophobicContact CB-CE2 4.07Å; H317-F326 HydrophobicContact CB-CZ 3.7Å; H317-F326 PolarHBondContact N-O 3.36Å; H317-F326 WeakPolarHBondContact O-CD1 3.34Å; H317-F326 PolarHBondContact O-N 2.88Å; C319-F326 HydrophobicContact CB-CE1 4.29Å; I324-F326 HydrophobicContact CG2-CB 4.47Å; I324-F326 HydrophobicContact CG2-CD1 4.22Å; F326-T330 WeakPolarHBondContact CB-OG1 3.46Å; F326-T330 WeakPolarHBondContact CD2-O 3.44Å; F326-T330 WeakPolarHBondContact CE2-O 3.45Å; F326-H332 HydrophobicContact CD1-CB 4.24Å; F326-H332 AromaticContact CD1-CG 3.95Å; F326-H332 AromaticContact CD1-ND1 3.71Å; F326-H332 AromaticContact CD2-ND1 3.99Å; F326-H332 AromaticContact CE1-CE1 3.4Å; F326-H332 WeakPolarHBondContact CE1-CE1 3.44Å; F326-H332 AromaticContact CE1-CG 3.88Å; F326-H332 AromaticContact CE1-ND1 3.25Å; F326-H332 VanDerWaalsContact CE1-ND1 3.25Å; F326-H332 WeakPolarHBondContact CE1-ND1 3.46Å; F326-H332 AromaticContact CE2-ND1 3.58Å; F326-H332 HydrophobicContact CG-CB 4.28Å; F326-H332 AromaticContact CZ-CE1 3.38Å; F326-H332 WeakPolarHBondContact CZ-CE1 3.26Å; F326-H332 AromaticContact CZ-ND1 3.19Å; F326-H332 WeakPolarHBondContact CZ-ND1 3.46Å; F326-T343 HydrophobicContact CE1-CG2 4.15Å; F326-T343 HydrophobicContact CZ-CG2 3.77Å |
| 327 | W | 89.6 | Confident | 85.5 | Confident | 6 Ų | 6 | 56.7 Ų | 56.7 | 2% | 0.023 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 146 | 172.6 | -70.9 | 105.4 | 0 | 0 | 0 | 109.6 | F111 A114 R120 Y123 V124 L316 D329 T330 | F111-W327 HydrophobicContact CD1-CH2 4.31Å; F111-W327 AromaticContact CD1-CZ2 3.75Å; F111-W327 HydrophobicContact CD1-CZ2 3.75Å; F111-W327 HydrophobicContact CE1-CH2 4.09Å; F111-W327 AromaticContact CE1-CZ2 3.7Å; F111-W327 HydrophobicContact CE1-CZ2 3.7Å; A114-W327 HydrophobicContact CB-CH2 4.08Å; A114-W327 HydrophobicContact CB-CZ2 3.54Å; R120-W327 HydrophobicContact CB-CH2 4.41Å; R120-W327 HydrophobicContact CB-CZ3 4.21Å; R120-W327 VanDerWaalsContact CD-CE3 3.48Å; R120-W327 HydrophobicContact CG-CE3 3.95Å; R120-W327 HydrophobicContact CG-CH2 4.45Å; R120-W327 HydrophobicContact CG-CZ3 3.86Å; Y123-W327 AromaticContact CD1-CH2 3.72Å; Y123-W327 HydrophobicContact CD1-CH2 3.72Å; Y123-W327 AromaticContact CD1-CZ3 3.97Å; Y123-W327 HydrophobicContact CD1-CZ3 3.97Å; Y123-W327 HydrophobicContact CE1-CH2 4.05Å; Y123-W327 HydrophobicContact CE1-CZ3 4.29Å; Y123-W327 HydrophobicContact CG-CZ3 4.44Å; V124-W327 HydrophobicContact CG2-CH2 4.15Å; L316-W327 HydrophobicContact CD2-CD2 3.56Å; L316-W327 HydrophobicContact CD2-CE3 3.86Å; L316-W327 HydrophobicContact CD2-CG 3.96Å; L316-W327 HydrophobicContact CD2-CH2 4.31Å; L316-W327 HydrophobicContact CD2-CZ2 4.04Å; L316-W327 HydrophobicContact CD2-CZ3 4.22Å; L316-W327 HydrophobicContact CG-CD2 4.22Å; L316-W327 HydrophobicContact CG-CE3 4.03Å; L316-W327 HydrophobicContact CG-CH2 4.07Å; L316-W327 HydrophobicContact CG-CZ2 4.24Å; L316-W327 HydrophobicContact CG-CZ3 3.95Å; W327-D329 WeakPolarHBondContact CB-OD1 3.47Å; W327-D329 PolarHBondContact O-N 3.19Å; W327-T330 HydrophobicContact CB-CG2 4.16Å; W327-T330 PolarHBondContact N-OG1 3Å; W327-T330 VanDerWaalsContact N-OG1 3.08Å; W327-T330 PolarHBondContact O-N 2.95Å; W327-T330 PolarHBondContact O-OG1 3.4Å |
| 328 | K | 84.3 | Confident | 84.9 | Confident | 135 Ų | 135 | 60 Ų | 60 | 59% | 0.587 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | -34.6 | -172 | -170.6 | 178.5 | 175.7 | 178.9 | 0 | 115.2 | D314 T315 | D314-K328 WeakPolarHBondContact OD1-CB 3.48Å; T315-K328 PolarHBondContact O-N 3.49Å |
| 329 | D | 81.1 | Confident | 84.2 | Confident | 97 Ų | 97 | 61.2 Ų | 61.2 | 52% | 0.519 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -6.3 | -179.9 | 69.8 | -31.3 | 0 | 0 | 0 | 114.3 | R120 W327 | R120-D329 IonicContact CZ-OD1 3.06Å; R120-D329 IonicContact CZ-OD2 2.89Å; R120-D329 IonicContact NH1-OD1 2.61Å; R120-D329 PolarHBondContact NH1-OD1 2.89Å; R120-D329 IonicContact NH1-OD2 3.2Å; R120-D329 IonicContact NH2-OD1 2.73Å; R120-D329 PolarHBondContact NH2-OD1 3.47Å; R120-D329 IonicContact NH2-OD2 3.15Å; R120-D329 PolarHBondContact NH2-OD2 3.17Å; W327-D329 WeakPolarHBondContact CB-OD1 3.47Å; W327-D329 PolarHBondContact O-N 3.19Å |
| 330 | T | 79.1 | Confident | 83.6 | Confident | 22 Ų | 22 | 69 Ų | 69 | 14% | 0.135 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -90.3 | 118.8 | 175.6 | 61.4 | 0 | 0 | 0 | 0 | 109.9 | K84 F326 W327 | K84-T330 HydrophobicContact CB-CG2 4.3Å; K84-T330 PolarHBondContact O-OG1 3.34Å; F326-T330 WeakPolarHBondContact CB-OG1 3.46Å; F326-T330 WeakPolarHBondContact CD2-O 3.44Å; F326-T330 WeakPolarHBondContact CE2-O 3.45Å; W327-T330 HydrophobicContact CB-CG2 4.16Å; W327-T330 PolarHBondContact N-OG1 3Å; W327-T330 VanDerWaalsContact N-OG1 3.08Å; W327-T330 PolarHBondContact O-N 2.95Å; W327-T330 PolarHBondContact O-OG1 3.4Å |
| 331 | N | 75.9 | Confident | 83.4 | Confident | 152 Ų | 152 | 69.3 Ų | 69.3 | 81% | 0.813 | 38% | 0.375 | S | S | * | . | trans | -64.6 | 142.5 | 170.4 | -69.4 | -14.6 | 0 | 0 | 0 | 109.8 | ||||
| 332 | H | 82.1 | Confident | 83.3 | Confident | 28 Ų | 28 | 66.1 Ų | 66.1 | 13% | 0.13 | 36% | 0.363 | C | S | . | . | trans | -122 | 149 | 173.7 | 69.2 | -78.9 | 0 | 0 | 0 | 110.3 | W85 C319 C322 I324 F326 C334 | W85-H332 HydrophobicContact CB-CB 4.49Å; W85-H332 HydrophobicContact CG-CB 4.35Å; C319-H332 WeakPolarHBondContact CB-NE2 3.27Å; C322-H332 PolarHBondContact SG-CD2 2.98Å; I324-H332 HydrophobicContact CB-CB 4.49Å; I324-H332 HydrophobicContact CD1-CB 4.38Å; I324-H332 HydrophobicContact CG2-CB 3.85Å; F326-H332 HydrophobicContact CD1-CB 4.24Å; F326-H332 AromaticContact CD1-CG 3.95Å; F326-H332 AromaticContact CD1-ND1 3.71Å; F326-H332 AromaticContact CD2-ND1 3.99Å; F326-H332 AromaticContact CE1-CE1 3.4Å; F326-H332 WeakPolarHBondContact CE1-CE1 3.44Å; F326-H332 AromaticContact CE1-CG 3.88Å; F326-H332 AromaticContact CE1-ND1 3.25Å; F326-H332 VanDerWaalsContact CE1-ND1 3.25Å; F326-H332 WeakPolarHBondContact CE1-ND1 3.46Å; F326-H332 AromaticContact CE2-ND1 3.58Å; F326-H332 HydrophobicContact CG-CB 4.28Å; F326-H332 AromaticContact CZ-CE1 3.38Å; F326-H332 WeakPolarHBondContact CZ-CE1 3.26Å; F326-H332 AromaticContact CZ-ND1 3.19Å; F326-H332 WeakPolarHBondContact CZ-ND1 3.46Å; H332-C334 VanDerWaalsContact C-N 3.32Å; H332-C334 WeakPolarHBondContact NE2-CB 3.44Å; H332-C334 PolarHBondContact O-N 3.23Å | ||
| 333 | P | 81.8 | Confident | 83.5 | Confident | 70 Ų | 70 | 67 Ų | 67 | 46% | 0.455 | 37% | 0.368 | S | S | . | . | trans | -74.5 | 84.8 | 179.8 | 30.8 | -34.7 | 0 | 0 | 0 | 110.1 | W85 I324 | W85-P333 VanDerWaalsContact CE2-CD 3.47Å; W85-P333 HydrophobicContact CH2-CG 3.99Å; W85-P333 HydrophobicContact CZ2-CG 3.58Å; I324-P333 HydrophobicContact CD1-CG 4.05Å | ||
| 334 | C | 83.7 | Confident | 83.6 | Confident | 25 Ų | 25 | 66.4 Ų | 66.4 | 17% | 0.169 | 37% | 0.371 | C | S | . | . | trans | -99.6 | 136.6 | 173.6 | -160.2 | 0 | 0 | 0 | 0 | 110.8 | H332 P339 | H332-C334 VanDerWaalsContact C-N 3.32Å; H332-C334 WeakPolarHBondContact NE2-CB 3.44Å; H332-C334 PolarHBondContact O-N 3.23Å; C334-P339 HydrophobicContact CB-CB 4.16Å; C334-P339 HydrophobicContact CB-CG 4.32Å | ||
| 335 | T | 84.3 | Confident | 83.7 | Confident | 122 Ų | 122 | 69.8 Ų | 69.8 | 75% | 0.748 | 39% | 0.394 | S | S | * | . | trans | -93.2 | 3 | 174.6 | 51.9 | 0 | 0 | 0 | 0 | 113.3 | H321 | H321-T335 PolarHBondContact CE1-OG1 2.83Š| ||
| 336 | A | 81.6 | Confident | 83.8 | Confident | 17 Ų | 17 | 70.4 Ų | 70.4 | 14% | 0.14 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -70.5 | 141.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | H321 N338 P339 | H321-A336 HydrophobicContact CB-CB 4.35Å; A336-N338 PolarHBondContact O-N 3.11Å; A336-P339 WeakPolarHBondContact O-CD 3.25Å |
| 337 | N | 76.2 | Confident | 83.9 | Confident | 176 Ų | 176 | 71.5 Ų | 71.5 | 94% | 0.941 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -60.9 | -30.6 | 177.9 | -68.3 | -14.3 | 0 | 0 | 0 | 113.1 | ||
| 338 | N | 81.8 | Confident | 84.1 | Confident | 88 Ų | 88 | 71.2 Ų | 71.2 | 47% | 0.471 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -132.5 | 87.9 | 173.2 | -173.7 | -8.9 | 0 | 0 | 0 | 110.4 | A336 E340 S341 | A336-N338 PolarHBondContact O-N 3.11Å; N338-E340 VanDerWaalsContact C-N 3.3Å; N338-E340 PolarHBondContact O-N 2.92Å; N338-E340 PolarHBondContact OD1-N 3.29Å; N338-S341 PolarHBondContact O-N 3.41Å; N338-S341 PolarHBondContact O-OG 2.97Å |
| 339 | P | 76.6 | Confident | 84.4 | Confident | 49 Ų | 49 | 69 Ų | 69 | 32% | 0.318 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -36.2 | -175.6 | -24.9 | 34.8 | 0 | 0 | 0 | 113.8 | C334 A336 S341 C342 T343 | C334-P339 HydrophobicContact CB-CB 4.16Å; C334-P339 HydrophobicContact CB-CG 4.32Å; A336-P339 WeakPolarHBondContact O-CD 3.25Å; P339-S341 VanDerWaalsContact C-N 3.31Å; P339-S341 PolarHBondContact O-N 2.97Å; P339-C342 PolarHBondContact O-N 3.05Å; P339-T343 VanDerWaalsContact O-CG2 3.31Å; P339-T343 WeakPolarHBondContact O-CG2 3.37Å |
| 340 | E | 78.7 | Confident | 84.9 | Confident | 162 Ų | 162 | 68 Ų | 68 | 76% | 0.757 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -64 | -38 | -177.4 | -63.2 | -169.4 | 167.9 | 0 | 0 | 111.8 | N338 C342 T343 | N338-E340 VanDerWaalsContact C-N 3.3Å; N338-E340 PolarHBondContact O-N 2.92Å; N338-E340 PolarHBondContact OD1-N 3.29Å; E340-C342 PolarHBondContact O-N 3.34Å; E340-T343 PolarHBondContact O-N 3.29Å; E340-T343 VanDerWaalsContact O-N 3.17Å; E340-T343 PolarHBondContact O-OG1 3.44Å |
| 341 | S | 82.6 | Confident | 85.6 | Confident | 85 Ų | 85 | 66.9 Ų | 66.9 | 59% | 0.594 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -64.3 | -20.7 | 179.1 | 71.9 | 0 | 0 | 0 | 0 | 114.1 | N338 P339 | N338-S341 PolarHBondContact O-N 3.41Å; N338-S341 PolarHBondContact O-OG 2.97Å; P339-S341 VanDerWaalsContact C-N 3.31Å; P339-S341 PolarHBondContact O-N 2.97Å |
| 342 | C | 85.1 | Confident | 86.3 | Confident | 30 Ų | 30 | 59.7 Ų | 59.7 | 20% | 0.203 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -102.1 | 10.7 | -179.4 | -54.8 | 0 | 0 | 0 | 0 | 112.9 | C319 T320 H321 P339 E340 | C319-C342 CarbonylContact C-O 3.58Å; C319-C342 WeakPolarHBondContact CA-O 3.48Å; T320-C342 PolarHBondContact N-O 3.25Å; T320-C342 PolarHBondContact OG1-O 3.2Å; T320-C342 VanDerWaalsContact OG1-O 3.08Å; H321-C342 HydrophobicContact CB-CB 4.12Å; P339-C342 PolarHBondContact O-N 3.05Å; E340-C342 PolarHBondContact O-N 3.34Å |
| 343 | T | 89 | Confident | 86.7 | Confident | 41 Ų | 41 | 61 Ų | 61 | 25% | 0.252 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 132.8 | -177.4 | 59.9 | 0 | 0 | 0 | 0 | 112 | C319 F326 P339 E340 | C319-T343 HydrophobicContact CB-CG2 4.37Å; F326-T343 HydrophobicContact CE1-CG2 4.15Å; F326-T343 HydrophobicContact CZ-CG2 3.77Å; P339-T343 VanDerWaalsContact O-CG2 3.31Å; P339-T343 WeakPolarHBondContact O-CG2 3.37Å; E340-T343 PolarHBondContact O-N 3.29Å; E340-T343 VanDerWaalsContact O-N 3.17Å; E340-T343 PolarHBondContact O-OG1 3.44Å |
| 344 | T | 91.2 | Very high | 87 | Confident | 78 Ų | 78 | 58.8 Ų | 58.8 | 48% | 0.479 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 128.2 | 177 | -52.9 | 0 | 0 | 0 | 0 | 109.5 | H317 L318 | H317-T344 WeakPolarHBondContact CA-O 3.47Å; L318-T344 PolarHBondContact N-O 2.99Å; L318-T344 PolarHBondContact O-N 2.92Å |
| 345 | S | 91.6 | Very high | 87.2 | Confident | 71 Ų | 71 | 58.4 Ų | 58.4 | 50% | 0.497 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 138.8 | 172 | 58.4 | 0 | 0 | 0 | 0 | 110.5 | ||
| 346 | L | 92.8 | Very high | 87 | Confident | 13 Ų | 13 | 57.1 Ų | 57.1 | 7% | 0.068 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 135.6 | 178.9 | -58.4 | 172.1 | 0 | 0 | 0 | 110.1 | Y123 L316 L318 L325 D350 L354 | Y123-L346 VanDerWaalsContact CE2-O 3.31Å; Y123-L346 WeakPolarHBondContact CE2-O 3.27Å; L316-L346 HydrophobicContact CB-CD1 4.46Å; L316-L346 PolarHBondContact O-N 2.99Å; L318-L346 HydrophobicContact CB-CD1 4.09Å; L318-L346 HydrophobicContact CB-CD2 4.37Å; L318-L346 HydrophobicContact CB-CG 4.38Å; L325-L346 HydrophobicContact CD1-CD1 3.35Å; L346-D350 HydrophobicContact CB-CB 4.32Å; L346-D350 HydrophobicContact CD2-CB 4.19Å; L346-L354 HydrophobicContact CD1-CD1 3.44Å; L346-L354 VanDerWaalsContact CD1-CD1 3.44Å; L346-L354 HydrophobicContact CD2-CD1 4.13Å; L346-L354 HydrophobicContact CG-CD1 4.43Å |
| 347 | S | 92.5 | Very high | 86.2 | Confident | 34 Ų | 34 | 64.2 Ų | 64.2 | 24% | 0.238 | 36% | 0.355 | C | S | . | . | trans | -72.5 | 162.5 | 160.8 | 73.4 | 0 | 0 | 0 | 0 | 110.6 | Q349 D350 F351 | S347-Q349 PolarHBondContact O-N 3.39Å; S347-D350 VanDerWaalsContact CB-OD2 3.28Å; S347-D350 WeakPolarHBondContact CB-OD2 3.32Å; S347-D350 PolarHBondContact N-OD2 2.9Å; S347-D350 VanDerWaalsContact N-OD2 3.13Å; S347-D350 PolarHBondContact O-N 3.48Å; S347-D350 VanDerWaalsContact O-N 3.09Å; S347-D350 PolarHBondContact OG-N 2.81Å; S347-D350 PolarHBondContact OG-OD2 3.48Å; S347-F351 PolarHBondContact O-N 3.22Å | ||
| 348 | P | 93.3 | Very high | 86.7 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -54.5 | -36 | 173.6 | -27.6 | 36.4 | 0 | 0 | 0 | 113.2 | Y123 R126 L127 L130 Y312 I352 | Y123-P348 HydrophobicContact CD2-CG 3.67Å; Y123-P348 HydrophobicContact CE1-CG 4.47Å; Y123-P348 HydrophobicContact CE2-CB 4.45Å; Y123-P348 VanDerWaalsContact CE2-CD 3.47Å; Y123-P348 HydrophobicContact CE2-CG 3.61Å; Y123-P348 HydrophobicContact CG-CG 4.14Å; R126-P348 HydrophobicContact CB-CB 4.38Å; R126-P348 HydrophobicContact CB-CG 4.02Å; R126-P348 HydrophobicContact CG-CB 4.02Å; R126-P348 HydrophobicContact CG-CG 3.91Å; L127-P348 HydrophobicContact CB-CB 4.2Å; L130-P348 HydrophobicContact CD1-CB 3.8Å; Y312-P348 HydrophobicContact CE2-CG 3.76Å; P348-I352 PolarHBondContact O-N 3.3Å |
| 349 | Q | 91.7 | Very high | 86.9 | Confident | 89 Ų | 89 | 57.1 Ų | 57.1 | 42% | 0.416 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -71.8 | -41.2 | 176.7 | -173.3 | 59.6 | 55.4 | 0 | 0 | 111.7 | L130 S347 F351 I352 S353 | L130-Q349 HydrophobicContact CD1-CB 4.09Å; S347-Q349 PolarHBondContact O-N 3.39Å; Q349-F351 VanDerWaalsContact C-N 3.32Å; Q349-F351 PolarHBondContact O-N 3.27Å; Q349-I352 PolarHBondContact O-N 3.1Å; Q349-S353 WeakPolarHBondContact O-CB 3.39Å; Q349-S353 PolarHBondContact O-N 2.87Å |
| 350 | D | 91.7 | Very high | 87.5 | Confident | 75 Ų | 75 | 57.6 Ų | 57.6 | 40% | 0.401 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 176.4 | -59.8 | -39.3 | 0 | 0 | 0 | 110.4 | L346 S347 I352 S353 L354 | L346-D350 HydrophobicContact CB-CB 4.32Å; L346-D350 HydrophobicContact CD2-CB 4.19Å; S347-D350 VanDerWaalsContact CB-OD2 3.28Å; S347-D350 WeakPolarHBondContact CB-OD2 3.32Å; S347-D350 PolarHBondContact N-OD2 2.9Å; S347-D350 VanDerWaalsContact N-OD2 3.13Å; S347-D350 PolarHBondContact O-N 3.48Å; S347-D350 VanDerWaalsContact O-N 3.09Å; S347-D350 PolarHBondContact OG-N 2.81Å; S347-D350 PolarHBondContact OG-OD2 3.48Å; D350-I352 VanDerWaalsContact C-N 3.35Å; D350-I352 PolarHBondContact O-N 2.82Å; D350-S353 WeakPolarHBondContact CA-OG 3.28Å; D350-S353 PolarHBondContact O-N 3.06Å; D350-S353 VanDerWaalsContact O-N 3.09Å; D350-S353 PolarHBondContact O-OG 2.83Å; D350-L354 WeakPolarHBondContact O-CG 3.41Å; D350-L354 PolarHBondContact O-N 3.21Å |
| 351 | F | 92.7 | Very high | 88 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.6 | -45.3 | 174.6 | 166.8 | -98.1 | 0 | 0 | 0 | 112.2 | L102 A105 L109 F111 L127 L316 L325 S347 Q349 S353 L354 F355 | L102-F351 HydrophobicContact CD1-CD1 4.24Å; L102-F351 HydrophobicContact CD1-CE1 3.52Å; L102-F351 HydrophobicContact CD1-CZ 3.96Å; A105-F351 HydrophobicContact CB-CE2 4.31Å; A105-F351 HydrophobicContact CB-CZ 4.21Å; L109-F351 HydrophobicContact CD1-CE2 4.11Å; L109-F351 HydrophobicContact CD1-CZ 4.5Å; F111-F351 HydrophobicContact CZ-CE1 4.48Å; F111-F351 HydrophobicContact CZ-CZ 4.23Å; L127-F351 HydrophobicContact CD1-CD1 3.52Å; L127-F351 HydrophobicContact CD1-CE1 3.84Å; L127-F351 HydrophobicContact CD2-CD1 3.95Å; L127-F351 HydrophobicContact CD2-CE1 3.79Å; L127-F351 HydrophobicContact CG-CD1 4.41Å; L127-F351 HydrophobicContact CG-CE1 4.45Å; L316-F351 HydrophobicContact CD1-CD2 3.73Å; L316-F351 HydrophobicContact CD1-CE2 3.99Å; L316-F351 HydrophobicContact CD1-CG 4.19Å; L325-F351 HydrophobicContact CD1-CD2 4.49Å; L325-F351 HydrophobicContact CD2-CD2 3.74Å; L325-F351 HydrophobicContact CD2-CE2 3.46Å; L325-F351 VanDerWaalsContact CD2-CE2 3.46Å; S347-F351 PolarHBondContact O-N 3.22Å; Q349-F351 VanDerWaalsContact C-N 3.32Å; Q349-F351 PolarHBondContact O-N 3.27Å; F351-S353 VanDerWaalsContact C-N 3.35Å; F351-L354 WeakPolarHBondContact O-CB 3.37Å; F351-L354 PolarHBondContact O-N 3.48Å; F351-F355 AromaticContact CD2-CE2 3.97Å; F351-F355 HydrophobicContact CD2-CE2 3.97Å; F351-F355 AromaticContact CE2-CE2 3.56Å; F351-F355 HydrophobicContact CE2-CE2 3.56Å; F351-F355 HydrophobicContact CE2-CZ 4.15Å; F351-F355 AromaticContact CZ-CE2 3.9Å; F351-F355 HydrophobicContact CZ-CE2 3.9Å; F351-F355 WeakPolarHBondContact O-CD2 3.3Å; F351-F355 VanDerWaalsContact O-CE2 3.31Å; F351-F355 WeakPolarHBondContact O-CE2 3.09Å |
| 352 | I | 91.8 | Very high | 88.4 | Confident | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.2 | -44.8 | 174.5 | -68 | 171.5 | 0 | 0 | 0 | 110.3 | L102 L127 L130 I131 Q135 P348 Q349 D350 L354 F355 | L102-I352 HydrophobicContact CD1-CG1 4.37Å; L102-I352 HydrophobicContact CD2-CG2 4.33Å; L127-I352 HydrophobicContact CD1-CD1 3.93Å; L127-I352 HydrophobicContact CD1-CG1 3.8Å; L130-I352 HydrophobicContact CB-CD1 3.46Å; L130-I352 VanDerWaalsContact CB-CD1 3.46Å; L130-I352 HydrophobicContact CD1-CD1 4.1Å; L130-I352 HydrophobicContact CG-CD1 4.43Å; I131-I352 HydrophobicContact CG1-CD1 4.3Å; Q135-I352 HydrophobicContact CG-CG2 3.96Å; P348-I352 PolarHBondContact O-N 3.3Å; Q349-I352 PolarHBondContact O-N 3.1Å; D350-I352 VanDerWaalsContact C-N 3.35Å; D350-I352 PolarHBondContact O-N 2.82Å; I352-L354 PolarHBondContact O-N 3.25Å; I352-F355 PolarHBondContact O-N 3.34Å; I352-F355 VanDerWaalsContact O-N 3.1Å |
| 353 | S | 90.6 | Very high | 88.6 | Confident | 55 Ų | 55 | 50.6 Ų | 50.6 | 39% | 0.385 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.7 | -25 | -177.4 | 78.6 | 0 | 0 | 0 | 0 | 113.7 | Q349 D350 F351 F355 N356 | Q349-S353 WeakPolarHBondContact O-CB 3.39Å; Q349-S353 PolarHBondContact O-N 2.87Å; D350-S353 WeakPolarHBondContact CA-OG 3.28Å; D350-S353 PolarHBondContact O-N 3.06Å; D350-S353 VanDerWaalsContact O-N 3.09Å; D350-S353 PolarHBondContact O-OG 2.83Å; F351-S353 VanDerWaalsContact C-N 3.35Å; S353-F355 PolarHBondContact O-N 3.18Å; S353-F355 VanDerWaalsContact O-N 3.11Å; S353-N356 PolarHBondContact O-N 3Å |
| 354 | L | 88.3 | Confident | 88.5 | Confident | 23 Ų | 23 | 51.3 Ų | 51.3 | 12% | 0.12 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -22.2 | 175.2 | -74.2 | 178.7 | 0 | 0 | 0 | 113.4 | L318 L346 D350 F351 I352 F357 | L318-L354 HydrophobicContact CD2-CD1 4.17Å; L318-L354 HydrophobicContact CD2-CD2 3.91Å; L346-L354 HydrophobicContact CD1-CD1 3.44Å; L346-L354 VanDerWaalsContact CD1-CD1 3.44Å; L346-L354 HydrophobicContact CD2-CD1 4.13Å; L346-L354 HydrophobicContact CG-CD1 4.43Å; D350-L354 WeakPolarHBondContact O-CG 3.41Å; D350-L354 PolarHBondContact O-N 3.21Å; F351-L354 WeakPolarHBondContact O-CB 3.37Å; F351-L354 PolarHBondContact O-N 3.48Å; I352-L354 PolarHBondContact O-N 3.25Å; L354-F357 WeakPolarHBondContact O-CZ 3.28Å |
| 355 | F | 86.8 | Confident | 88.3 | Confident | 18 Ų | 18 | 49.2 Ų | 49.2 | 8% | 0.079 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | 3.1 | -176 | -55.8 | -74.6 | 0 | 0 | 0 | 113.5 | V88 C100 L102 A105 F351 I352 S353 F357 | V88-F355 HydrophobicContact CG1-CE1 4.01Å; V88-F355 HydrophobicContact CG1-CZ 4.41Å; V88-F355 HydrophobicContact CG2-CZ 4.35Å; C100-F355 HydrophobicContact CB-CE1 4.27Å; C100-F355 VanDerWaalsContact O-CD1 3.22Å; C100-F355 WeakPolarHBondContact O-CD1 3.41Å; L102-F355 HydrophobicContact CB-CB 3.87Å; L102-F355 HydrophobicContact CB-CD2 4.06Å; L102-F355 HydrophobicContact CB-CG 4.03Å; L102-F355 HydrophobicContact CD1-CD2 3.79Å; L102-F355 HydrophobicContact CD1-CE2 4.25Å; A105-F355 HydrophobicContact CB-CE1 3.94Å; A105-F355 HydrophobicContact CB-CE2 3.95Å; A105-F355 HydrophobicContact CB-CZ 3.38Å; F351-F355 AromaticContact CD2-CE2 3.97Å; F351-F355 HydrophobicContact CD2-CE2 3.97Å; F351-F355 AromaticContact CE2-CE2 3.56Å; F351-F355 HydrophobicContact CE2-CE2 3.56Å; F351-F355 HydrophobicContact CE2-CZ 4.15Å; F351-F355 AromaticContact CZ-CE2 3.9Å; F351-F355 HydrophobicContact CZ-CE2 3.9Å; F351-F355 WeakPolarHBondContact O-CD2 3.3Å; F351-F355 VanDerWaalsContact O-CE2 3.31Å; F351-F355 WeakPolarHBondContact O-CE2 3.09Å; I352-F355 PolarHBondContact O-N 3.34Å; I352-F355 VanDerWaalsContact O-N 3.1Å; S353-F355 PolarHBondContact O-N 3.18Å; S353-F355 VanDerWaalsContact O-N 3.11Å; F355-F357 PolarHBondContact O-N 3.08Å |
| 356 | N | 80.1 | Confident | 88.1 | Confident | 95 Ų | 95 | 47.4 Ų | 47.4 | 51% | 0.508 | 25% | 0.246 | S | C | . | . | trans | -82.8 | 90.4 | 171.4 | -68.1 | -13.6 | 0 | 0 | 0 | 107.7 | S353 | S353-N356 PolarHBondContact O-N 3Š| ||
| 357 | F | 64.7 | Low | 87.6 | Confident | 166 Ų | 166 | 50.5 Ų | 50.5 | 73% | 0.728 | 26% | 0.262 | S | S | * | . | trans | -100 | 0 | 175.6 | -61.6 | -68.2 | 0 | 0 | 0 | 111.6 | K90 L354 F355 | K90-F357 HydrophobicContact CB-CE1 3.7Å; K90-F357 HydrophobicContact CB-CZ 4.03Å; K90-F357 HydrophobicContact CD-CE1 4.04Å; K90-F357 HydrophobicContact CG-CE1 3.64Å; K90-F357 HydrophobicContact CG-CZ 3.82Å; L354-F357 WeakPolarHBondContact O-CZ 3.28Å; F355-F357 PolarHBondContact O-N 3.08Å |
Retrieved 357 of 357 residues in 986.2 ms
(Link to these results)