| 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 | 36.4 | Very low | 42.2 | Very low | 232 Ų | 232 | 129 Ų | 129 | 100% | 1.143 | 70% | 0.696 | S | S | * | * | 0 | 71.7 | 0 | -85.4 | 157 | 178 | 0 | 0 | 105.5 | |||||
| 2 | D | 32.2 | Very low | 43 | Very low | 151 Ų | 151 | 126.8 Ų | 126.8 | 81% | 0.807 | 70% | 0.698 | S | S | * | * | trans | -97.3 | 114.9 | -169.5 | -60.7 | -85.5 | 0 | 0 | 0 | 105.4 | L4 | D2-L4 VanDerWaalsContact C-N 3.31Å; D2-L4 PolarHBondContact O-N 3.2Å | ||
| 3 | R | 36.1 | Very low | 44.9 | Very low | 250 Ų | 250 | 124.7 Ų | 124.7 | 94% | 0.943 | 69% | 0.685 | S | S | * | * | trans | -62.7 | 94.1 | -175.1 | -73.8 | 176.6 | 157.3 | -158.7 | -5.8 | 108.6 | G5 | R3-G5 PolarHBondContact O-N 3.33Š| ||
| 4 | L | 36.6 | Very low | 47 | Very low | 163 Ų | 163 | 118.2 Ų | 118.2 | 85% | 0.853 | 65% | 0.647 | S | S | * | * | trans | -47.8 | 110.3 | 165.8 | -70.9 | 159.1 | 0 | 0 | 0 | 108.1 | D2 S6 | D2-L4 VanDerWaalsContact C-N 3.31Å; D2-L4 PolarHBondContact O-N 3.2Å; L4-S6 PolarHBondContact O-N 2.84Å; L4-S6 VanDerWaalsContact O-N 3.09Å | ||
| 5 | G | 36 | Very low | 49.6 | Very low | 73 Ų | 73 | 114.2 Ų | 114.2 | 75% | 0.753 | 63% | 0.629 | S | S | * | * | trans | -56.3 | 115.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | R3 | R3-G5 PolarHBondContact O-N 3.33Š| ||
| 6 | S | 40.2 | Very low | 52.3 | Low | 102 Ų | 102 | 111 Ų | 111 | 71% | 0.713 | 62% | 0.615 | S | S | * | * | trans | -54.8 | 140.3 | -179 | -60.1 | 0 | 0 | 0 | 0 | 111.1 | L4 S8 | L4-S6 PolarHBondContact O-N 2.84Å; L4-S6 VanDerWaalsContact O-N 3.09Å; S6-S8 PolarHBondContact O-N 2.69Å | ||
| 7 | F | 44.1 | Very low | 54.9 | Low | 146 Ų | 146 | 104.6 Ų | 104.6 | 64% | 0.64 | 58% | 0.58 | S | S | * | * | trans | -59.3 | 81 | 168.5 | -69.1 | -92.7 | 0 | 0 | 0 | 110.4 | E77 | F7-E77 HydrophobicContact CE1-CG 4.17Å; F7-E77 HydrophobicContact CZ-CG 4.32Å | ||
| 8 | S | 44.5 | Very low | 57.2 | Low | 64 Ų | 64 | 104.9 Ų | 104.9 | 45% | 0.448 | 57% | 0.571 | S | S | . | * | trans | -116.9 | 66.3 | 177.8 | -58.3 | 0 | 0 | 0 | 0 | 109.7 | S6 | S6-S8 PolarHBondContact O-N 2.69Š| ||
| 9 | N | 52.3 | Low | 59.2 | Low | 91 Ų | 91 | 100.8 Ų | 100.8 | 49% | 0.487 | 56% | 0.555 | S | S | . | * | trans | -127.9 | 44.6 | 161.6 | -73.8 | -32.4 | 0 | 0 | 0 | 108.4 | ||||
| 10 | D | 52.1 | Low | 61 | Low | 75 Ų | 75 | 98.4 Ų | 98.4 | 40% | 0.401 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -67.5 | 136.5 | 149.9 | -165.1 | -80.2 | 0 | 0 | 0 | 106.4 | S12 D13 | D10-S12 PolarHBondContact O-N 3.45Å; D10-S12 WeakPolarHBondContact OD1-CB 3.25Å; D10-S12 PolarHBondContact OD1-N 3.33Å; D10-S12 PolarHBondContact OD1-OG 3.32Å; D10-D13 PolarHBondContact O-N 2.77Å |
| 11 | P | 54.3 | Low | 62.7 | Low | 72 Ų | 72 | 98.2 Ų | 98.2 | 47% | 0.468 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -45.6 | -28.1 | 173.9 | -29.8 | 35.4 | 0 | 0 | 0 | 113.3 | Y23 | P11-Y23 VanDerWaalsContact CA-OH 3.26Å; P11-Y23 WeakPolarHBondContact CA-OH 3.32Å; P11-Y23 VanDerWaalsContact CB-OH 3.29Å; P11-Y23 WeakPolarHBondContact CB-OH 3.38Å; P11-Y23 WeakPolarHBondContact O-CE2 3.17Å; P11-Y23 PolarHBondContact O-OH 3.39Å |
| 12 | S | 51.6 | Low | 65.5 | Low | 103 Ų | 103 | 90.2 Ų | 90.2 | 72% | 0.72 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -21.3 | 178.7 | -67.6 | 0 | 0 | 0 | 0 | 116.5 | D10 K14 | D10-S12 PolarHBondContact O-N 3.45Å; D10-S12 WeakPolarHBondContact OD1-CB 3.25Å; D10-S12 PolarHBondContact OD1-N 3.33Å; D10-S12 PolarHBondContact OD1-OG 3.32Å; S12-K14 VanDerWaalsContact C-N 3.34Å |
| 13 | D | 67.2 | Low | 68.3 | Low | 99 Ų | 99 | 88.7 Ų | 88.7 | 53% | 0.529 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -9.5 | -172.5 | -78.3 | -27.8 | 0 | 0 | 0 | 113.6 | D10 | D10-D13 PolarHBondContact O-N 2.77Š|
| 14 | K | 74.2 | Confident | 71 | Confident | 34 Ų | 34 | 76.9 Ų | 76.9 | 15% | 0.148 | 46% | 0.457 | C | S | . | . | S | Bend | trans | -84.9 | 125.4 | -176.6 | -173.5 | -179.4 | 170.2 | -166.8 | 0 | 110.6 | S12 L24 Y28 | S12-K14 VanDerWaalsContact C-N 3.34Å; K14-L24 HydrophobicContact CD-CB 4.22Å; K14-L24 HydrophobicContact CD-CD1 4.45Å; K14-L24 VanDerWaalsContact CE-CB 3.41Å; K14-L24 VanDerWaalsContact CE-CD1 3.49Å; K14-L24 HydrophobicContact CG-CD1 4.42Å; K14-L24 PolarHBondContact NZ-O 3.2Å; K14-Y28 HydrophobicContact CD-CE2 4.4Å; K14-Y28 VanDerWaalsContact CE-CE1 3.49Å; K14-Y28 WeakPolarHBondContact CE-OH 3.49Å |
| 15 | P | 86.3 | Confident | 73.5 | Confident | 58 Ų | 58 | 75.8 Ų | 75.8 | 38% | 0.377 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 149.7 | 178.4 | 28.2 | -36.3 | 0 | 0 | 0 | 110.8 | L24 F40 | P15-L24 VanDerWaalsContact O-CD1 3.26Å; P15-L24 WeakPolarHBondContact O-CD1 3.35Å; P15-F40 HydrophobicContact CG-CD2 3.62Å; P15-F40 HydrophobicContact CG-CE2 3.74Å |
| 16 | P | 93.7 | Very high | 76 | Confident | 63 Ų | 63 | 76.6 Ų | 76.6 | 41% | 0.409 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 169 | 179.2 | 28.9 | -35.4 | 0 | 0 | 0 | 111.9 | R18 S21 S22 | P16-R18 PolarHBondContact O-N 2.98Å; P16-S21 VanDerWaalsContact CB-O 3.3Å; P16-S21 WeakPolarHBondContact CB-O 3.46Å; P16-S22 WeakPolarHBondContact CA-O 3.47Å; P16-S22 WeakPolarHBondContact CB-O 3.3Å |
| 17 | C | 95.8 | Very high | 78.5 | Confident | 2 Ų | 2 | 75 Ų | 75 | 1% | 0.014 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -52.6 | 129.6 | 172 | 178.6 | 0 | 0 | 0 | 0 | 110.8 | G19 S21 S22 L24 C42 C45 | C17-G19 PolarHBondContact O-N 3.28Å; C17-G19 PolarHBondContact SG-N 3.22Å; C17-G19 VanDerWaalsContact SG-N 3.35Å; C17-S21 WeakPolarHBondContact O-CA 3.29Å; C17-S21 PolarHBondContact O-N 2.9Å; C17-S22 PolarHBondContact N-O 2.85Å; C17-L24 HydrophobicContact CB-CD2 3.67Å; C17-L24 HydrophobicContact CB-CG 4.36Å; C17-C42 HydrophobicContact CB-CB 4.19Å; C17-C42 PolarHBondContact SG-N 3.04Å; C17-C42 VanDerWaalsContact SG-SG 3.63Å; C17-C45 VanDerWaalsContact SG-SG 3.6Å |
| 18 | R | 95.4 | Very high | 81 | Confident | 111 Ų | 111 | 68.5 Ų | 68.5 | 42% | 0.419 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -21.6 | 178 | -66.4 | -70.9 | -100.7 | -142.8 | -7.8 | 113.5 | P16 F39 F40 L41 | P16-R18 PolarHBondContact O-N 2.98Å; R18-F39 HydrophobicContact CB-CD1 4.33Å; R18-F39 HydrophobicContact CB-CD2 4.36Å; R18-F39 HydrophobicContact CB-CE1 3.83Å; R18-F39 HydrophobicContact CB-CE2 3.86Å; R18-F39 HydrophobicContact CB-CZ 3.58Å; R18-F39 HydrophobicContact CG-CD1 4.27Å; R18-F39 HydrophobicContact CG-CD2 3.99Å; R18-F39 HydrophobicContact CG-CE1 4.26Å; R18-F39 HydrophobicContact CG-CE2 3.98Å; R18-F39 HydrophobicContact CG-CG 4.14Å; R18-F39 HydrophobicContact CG-CZ 4.12Å; R18-F40 WeakPolarHBondContact CG-O 3.49Å; R18-F40 PolarHBondContact N-O 3.44Å; R18-L41 HydrophobicContact CB-CD2 4.2Å |
| 19 | G | 95.5 | Very high | 83.4 | Confident | 26 Ų | 26 | 65.9 Ų | 65.9 | 27% | 0.268 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -42.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | C17 F50 | C17-G19 PolarHBondContact O-N 3.28Å; C17-G19 PolarHBondContact SG-N 3.22Å; C17-G19 VanDerWaalsContact SG-N 3.35Å; G19-F50 VanDerWaalsContact CA-CZ 3.42Å |
| 20 | C | 96.7 | Very high | 85.5 | Confident | 52 Ų | 52 | 64.4 Ų | 64.4 | 35% | 0.351 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.3 | 0.6 | -174.3 | 66.4 | 0 | 0 | 0 | 0 | 114.3 | S22 | C20-S22 PolarHBondContact O-N 3.26Å; C20-S22 PolarHBondContact O-OG 3.42Å; C20-S22 VanDerWaalsContact SG-CB 3.57Å; C20-S22 PolarHBondContact SG-OG 3.13Å |
| 21 | S | 95.3 | Very high | 87.6 | Confident | 96 Ų | 96 | 61.1 Ų | 61.1 | 67% | 0.671 | 35% | 0.345 | S | S | * | . | trans | 58.2 | 7.8 | -176.7 | -55 | 0 | 0 | 0 | 0 | 115 | P16 C17 | P16-S21 VanDerWaalsContact CB-O 3.3Å; P16-S21 WeakPolarHBondContact CB-O 3.46Å; C17-S21 WeakPolarHBondContact O-CA 3.29Å; C17-S21 PolarHBondContact O-N 2.9Å | ||
| 22 | S | 94.8 | Very high | 89.6 | Confident | 64 Ų | 64 | 60.2 Ų | 60.2 | 45% | 0.448 | 34% | 0.343 | S | S | . | . | trans | -76.3 | 157.3 | 176.4 | -46.4 | 0 | 0 | 0 | 0 | 111.4 | P16 C17 C20 | P16-S22 WeakPolarHBondContact CA-O 3.47Å; P16-S22 WeakPolarHBondContact CB-O 3.3Å; C17-S22 PolarHBondContact N-O 2.85Å; C20-S22 PolarHBondContact O-N 3.26Å; C20-S22 PolarHBondContact O-OG 3.42Å; C20-S22 VanDerWaalsContact SG-CB 3.57Å; C20-S22 PolarHBondContact SG-OG 3.13Å | ||
| 23 | Y | 92.8 | Very high | 91.8 | Very high | 118 Ų | 118 | 60.3 Ų | 60.3 | 46% | 0.463 | 33% | 0.332 | S | S | . | . | trans | -59.3 | 141.5 | 172.2 | -172.2 | -102.3 | 0 | 0 | 0 | 111.6 | P11 M25 | P11-Y23 VanDerWaalsContact CA-OH 3.26Å; P11-Y23 WeakPolarHBondContact CA-OH 3.32Å; P11-Y23 VanDerWaalsContact CB-OH 3.29Å; P11-Y23 WeakPolarHBondContact CB-OH 3.38Å; P11-Y23 WeakPolarHBondContact O-CE2 3.17Å; P11-Y23 PolarHBondContact O-OH 3.39Å; Y23-M25 HydrophobicContact CD1-CG 4.5Å; Y23-M25 HydrophobicContact CD1-SD 3.89Å; Y23-M25 HydrophobicContact CE1-SD 4.1Å; Y23-M25 PolarHBondContact O-N 3Å | ||
| 24 | L | 92.3 | Very high | 93.1 | Very high | 3 Ų | 3 | 56.6 Ų | 56.6 | 2% | 0.016 | 31% | 0.314 | C | S | . | . | trans | -90.4 | 95.6 | -177.3 | -70.7 | 173.6 | 0 | 0 | 0 | 110.8 | K14 P15 C17 Y28 F40 C42 | K14-L24 HydrophobicContact CD-CB 4.22Å; K14-L24 HydrophobicContact CD-CD1 4.45Å; K14-L24 VanDerWaalsContact CE-CB 3.41Å; K14-L24 VanDerWaalsContact CE-CD1 3.49Å; K14-L24 HydrophobicContact CG-CD1 4.42Å; K14-L24 PolarHBondContact NZ-O 3.2Å; P15-L24 VanDerWaalsContact O-CD1 3.26Å; P15-L24 WeakPolarHBondContact O-CD1 3.35Å; C17-L24 HydrophobicContact CB-CD2 3.67Å; C17-L24 HydrophobicContact CB-CG 4.36Å; L24-Y28 HydrophobicContact CB-CG 4.37Å; L24-Y28 HydrophobicContact CD1-CD2 4.08Å; L24-F40 HydrophobicContact CD1-CB 3.43Å; L24-F40 VanDerWaalsContact CD1-CB 3.43Å; L24-F40 HydrophobicContact CD1-CG 4.15Å; L24-C42 HydrophobicContact CD2-CB 3.89Å; L24-C42 VanDerWaalsContact CD2-N 3.29Å | ||
| 25 | M | 89 | Confident | 93.8 | Very high | 139 Ų | 139 | 57.7 Ų | 57.7 | 69% | 0.685 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -69.7 | 143.1 | 165.4 | -61.6 | -61.4 | -69.6 | 0 | 0 | 110.3 | Y23 P27 | Y23-M25 HydrophobicContact CD1-CG 4.5Å; Y23-M25 HydrophobicContact CD1-SD 3.89Å; Y23-M25 HydrophobicContact CE1-SD 4.1Å; Y23-M25 PolarHBondContact O-N 3Å; M25-P27 CarbonylContact O-C 3.47Å |
| 26 | E | 88.6 | Confident | 93.8 | Very high | 91 Ų | 91 | 61.2 Ų | 61.2 | 43% | 0.425 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -72.7 | 146.9 | 172.8 | -65.8 | 177.4 | 171.3 | 0 | 0 | 111.5 | Y28 V66 Q69 | E26-Y28 HydrophobicContact CG-CD1 4.09Å; E26-Y28 HydrophobicContact CG-CE1 4.12Å; E26-V66 WeakPolarHBondContact OE2-CG2 3.39Å; E26-Q69 PolarHBondContact OE1-NE2 3.17Å |
| 27 | P | 92.8 | Very high | 93.5 | Very high | 68 Ų | 68 | 62 Ų | 62 | 44% | 0.442 | 36% | 0.362 | S | S | . | . | S | Bend | cis | -74.9 | 151.8 | -10.6 | 32.8 | -35 | 0 | 0 | 0 | 111.8 | M25 I63 M64 D65 | M25-P27 CarbonylContact O-C 3.47Å; P27-I63 HydrophobicContact CB-CG2 4.11Å; P27-M64 WeakPolarHBondContact CA-O 3.32Å; P27-D65 HydrophobicContact CB-CB 4.3Å |
| 28 | Y | 95.1 | Very high | 93.3 | Very high | 9 Ų | 9 | 64.9 Ų | 64.9 | 4% | 0.035 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 167.9 | 177.6 | 65 | -76.1 | 0 | 0 | 0 | 110.8 | K14 L24 E26 F40 M64 | K14-Y28 HydrophobicContact CD-CE2 4.4Å; K14-Y28 VanDerWaalsContact CE-CE1 3.49Å; K14-Y28 WeakPolarHBondContact CE-OH 3.49Å; L24-Y28 HydrophobicContact CB-CG 4.37Å; L24-Y28 HydrophobicContact CD1-CD2 4.08Å; E26-Y28 HydrophobicContact CG-CD1 4.09Å; E26-Y28 HydrophobicContact CG-CE1 4.12Å; Y28-F40 AromaticContact CD2-CD1 3.96Å; Y28-F40 HydrophobicContact CD2-CD1 3.96Å; Y28-F40 AromaticContact CE2-CD1 3.65Å; Y28-F40 HydrophobicContact CE2-CD1 3.65Å; Y28-F40 AromaticContact CE2-CE1 3.87Å; Y28-F40 HydrophobicContact CE2-CE1 3.87Å; Y28-F40 HydrophobicContact CE2-CG 4.41Å; Y28-M64 HydrophobicContact CD1-CB 3.67Å; Y28-M64 VanDerWaalsContact CD1-O 3.24Å; Y28-M64 WeakPolarHBondContact CD1-O 3.49Å; Y28-M64 HydrophobicContact CD2-CB 3.81Å; Y28-M64 HydrophobicContact CD2-CG 4.1Å; Y28-M64 HydrophobicContact CE1-CB 3.23Å; Y28-M64 HydrophobicContact CE1-CG 4.28Å; Y28-M64 WeakPolarHBondContact CE1-O 3.33Å; Y28-M64 HydrophobicContact CE2-CB 3.39Å; Y28-M64 HydrophobicContact CE2-CG 3.54Å; Y28-M64 HydrophobicContact CG-CB 3.95Å; Y28-M64 PolarHBondContact N-O 2.94Å; Y28-M64 VanDerWaalsContact N-O 3.08Å; Y28-M64 WeakPolarHBondContact O-CB 3.49Å; Y28-M64 PolarHBondContact O-N 3.35Å |
| 29 | I | 96.1 | Very high | 93.2 | Very high | 10 Ų | 10 | 60.1 Ų | 60.1 | 5% | 0.051 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 133.5 | -173.4 | -54.2 | -58.4 | 0 | 0 | 0 | 110.1 | F40 L41 F46 Y61 I63 | I29-F40 CarbonylContact O-C 3.55Å; I29-F40 VanDerWaalsContact O-CA 3.22Å; I29-F40 WeakPolarHBondContact O-CA 3.42Å; I29-L41 HydrophobicContact CB-CB 4.43Å; I29-L41 PolarHBondContact N-O 3.41Å; I29-L41 PolarHBondContact O-N 3.16Å; I29-F46 HydrophobicContact CB-CB 4.44Å; I29-F46 HydrophobicContact CB-CD2 4.3Å; I29-F46 HydrophobicContact CB-CG 4.4Å; I29-F46 HydrophobicContact CD1-CD1 4.37Å; I29-F46 HydrophobicContact CD1-CG 4.45Å; I29-F46 HydrophobicContact CG1-CB 3.8Å; I29-F46 HydrophobicContact CG1-CD1 4.04Å; I29-F46 HydrophobicContact CG1-CD2 4Å; I29-F46 HydrophobicContact CG1-CG 3.67Å; I29-F46 HydrophobicContact CG2-CD2 3.85Å; I29-F46 HydrophobicContact CG2-CE2 4.14Å; I29-F46 HydrophobicContact CG2-CG 4.4Å; I29-Y61 HydrophobicContact CD1-CD2 4.19Å; I29-Y61 HydrophobicContact CD1-CE2 4.43Å; I29-Y61 HydrophobicContact CG2-CD2 4.07Å; I29-Y61 HydrophobicContact CG2-CG 4.13Å; I29-I63 HydrophobicContact CD1-CG1 4.09Å |
| 30 | K | 95.4 | Very high | 93.3 | Very high | 59 Ų | 59 | 59.9 Ų | 59.9 | 26% | 0.257 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 122.8 | 166.6 | 177.7 | -175.3 | 158.3 | -144.3 | 0 | 108.3 | A32 F40 Y61 E62 M64 | K30-A32 PolarHBondContact O-N 3.31Å; K30-F40 HydrophobicContact CB-CD1 3.68Å; K30-F40 HydrophobicContact CB-CE1 3.63Å; K30-F40 HydrophobicContact CD-CE1 3.84Å; K30-F40 HydrophobicContact CG-CD1 3.97Å; K30-F40 HydrophobicContact CG-CE1 3.56Å; K30-F40 HydrophobicContact CG-CZ 4.45Å; K30-Y61 WeakPolarHBondContact O-CA 3.3Å; K30-E62 HydrophobicContact CB-CB 4.37Å; K30-E62 PolarHBondContact N-O 3.37Å; K30-E62 IonicContact NZ-OE1 2.76Å; K30-E62 IonicContact NZ-OE2 3.59Å; K30-E62 PolarHBondContact NZ-OE2 2.91Å; K30-E62 PolarHBondContact O-N 2.93Å; K30-M64 HydrophobicContact CB-CG 3.81Å; K30-M64 HydrophobicContact CB-SD 4.28Å; K30-M64 HydrophobicContact CD-SD 4.21Å |
| 31 | C | 96.9 | Very high | 93.3 | Very high | 6 Ų | 6 | 57.6 Ų | 57.6 | 4% | 0.041 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 131 | 171.6 | -179.2 | 0 | 0 | 0 | 0 | 109.5 | E33 C34 F39 H59 | C31-E33 VanDerWaalsContact C-N 3.32Å; C31-C34 HydrophobicContact CB-CB 4Å; C31-C34 PolarHBondContact SG-N 3.44Å; C31-F39 HydrophobicContact CB-CB 4.15Å; C31-F39 PolarHBondContact N-O 3.26Å; C31-H59 VanDerWaalsContact SG-CB 3.56Å |
| 32 | A | 96.1 | Very high | 93.4 | Very high | 53 Ų | 53 | 53.8 Ų | 53.8 | 44% | 0.438 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -79.2 | -18.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | K30 T60 | K30-A32 PolarHBondContact O-N 3.31Å; A32-T60 WeakPolarHBondContact CB-O 3.42Å; A32-T60 PolarHBondContact N-O 3.11Å |
| 33 | E | 97.1 | Very high | 93.4 | Very high | 106 Ų | 106 | 55 Ų | 55 | 50% | 0.495 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -101.5 | -20.7 | -174.3 | -64.7 | 177 | -127.3 | 0 | 0 | 113.5 | C31 H59 T60 | C31-E33 VanDerWaalsContact C-N 3.32Å; E33-H59 HydrophobicContact CB-CB 4.34Å; E33-H59 HydrophobicContact CG-CB 4.45Å; E33-H59 VanDerWaalsContact OE1-CA 3.3Å; E33-H59 WeakPolarHBondContact OE1-CA 3.14Å; E33-H59 IonicContact OE1-CG 3.97Å; E33-H59 IonicContact OE2-CD2 3.6Å; E33-H59 IonicContact OE2-CG 3.85Å; E33-H59 IonicContact OE2-NE2 3.9Å; E33-T60 WeakPolarHBondContact CG-OG1 3.29Å; E33-T60 PolarHBondContact OE1-N 3.48Å; E33-T60 PolarHBondContact OE1-OG1 3.22Å |
| 34 | C | 95.4 | Very high | 93.7 | Very high | 21 Ų | 21 | 55.6 Ų | 55.6 | 14% | 0.142 | 32% | 0.321 | C | S | . | . | trans | -97.8 | 119.3 | -175 | -71.1 | 0 | 0 | 0 | 0 | 112.9 | C31 F39 H59 | C31-C34 HydrophobicContact CB-CB 4Å; C31-C34 PolarHBondContact SG-N 3.44Å; C34-F39 HydrophobicContact CB-CB 3.51Å; C34-F39 HydrophobicContact CB-CD2 4.5Å; C34-F39 HydrophobicContact CB-CG 4.16Å; C34-H59 PolarHBondContact SG-ND1 2.99Å; C34-H59 VanDerWaalsContact SG-ND1 3.37Å | ||
| 35 | G | 87.9 | Confident | 94 | Very high | 56 Ų | 56 | 55.9 Ų | 55.9 | 58% | 0.577 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 164.5 | 175.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | P37 | G35-P37 WeakPolarHBondContact CA-O 3.35Š|
| 36 | P | 88.1 | Confident | 94.4 | Very high | 133 Ų | 133 | 51.9 Ų | 51.9 | 86% | 0.864 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -82.7 | 148.1 | -12.8 | 31 | -31.6 | 0 | 0 | 0 | 113.5 | ||
| 37 | P | 87.5 | Confident | 94.8 | Very high | 78 Ų | 78 | 52.4 Ų | 52.4 | 51% | 0.506 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -77.1 | 157.2 | -0.3 | 33 | -36.1 | 0 | 0 | 0 | 112.7 | G35 | G35-P37 WeakPolarHBondContact CA-O 3.35Š|
| 38 | P | 90 | Very high | 95 | Very high | 63 Ų | 63 | 58.8 Ų | 58.8 | 41% | 0.409 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 146.2 | -180 | 22.6 | -32.5 | 0 | 0 | 0 | 112 | F40 | P38-F40 HydrophobicContact CB-CE2 3.87Å; P38-F40 HydrophobicContact CB-CZ 3.89Å; P38-F40 HydrophobicContact CG-CE2 3.77Å; P38-F40 HydrophobicContact CG-CZ 4.05Å |
| 39 | F | 94.9 | Very high | 95.1 | Very high | 11 Ų | 11 | 59.9 Ų | 59.9 | 5% | 0.048 | 34% | 0.34 | C | S | . | . | trans | -106.3 | 114.3 | -174.3 | -162.2 | -80.3 | 0 | 0 | 0 | 110.7 | R18 C31 C34 L41 F50 Y52 H55 | R18-F39 HydrophobicContact CB-CD1 4.33Å; R18-F39 HydrophobicContact CB-CD2 4.36Å; R18-F39 HydrophobicContact CB-CE1 3.83Å; R18-F39 HydrophobicContact CB-CE2 3.86Å; R18-F39 HydrophobicContact CB-CZ 3.58Å; R18-F39 HydrophobicContact CG-CD1 4.27Å; R18-F39 HydrophobicContact CG-CD2 3.99Å; R18-F39 HydrophobicContact CG-CE1 4.26Å; R18-F39 HydrophobicContact CG-CE2 3.98Å; R18-F39 HydrophobicContact CG-CG 4.14Å; R18-F39 HydrophobicContact CG-CZ 4.12Å; C31-F39 HydrophobicContact CB-CB 4.15Å; C31-F39 PolarHBondContact N-O 3.26Å; C34-F39 HydrophobicContact CB-CB 3.51Å; C34-F39 HydrophobicContact CB-CD2 4.5Å; C34-F39 HydrophobicContact CB-CG 4.16Å; F39-L41 HydrophobicContact CD1-CD2 4.49Å; F39-L41 HydrophobicContact CD1-CG 4.23Å; F39-L41 HydrophobicContact CE1-CD1 4.15Å; F39-L41 HydrophobicContact CE1-CD2 3.73Å; F39-L41 HydrophobicContact CE1-CG 3.82Å; F39-F50 HydrophobicContact CZ-CD1 4.41Å; F39-F50 HydrophobicContact CZ-CE1 4.08Å; F39-Y52 HydrophobicContact CE2-CD1 4.36Å; F39-H55 HydrophobicContact CD1-CB 4.45Å; F39-H55 AromaticContact CD1-CD2 3.98Å; F39-H55 AromaticContact CD1-CG 3.91Å; F39-H55 HydrophobicContact CD2-CB 4.32Å; F39-H55 HydrophobicContact CE1-CB 4.07Å; F39-H55 AromaticContact CE1-CD2 3.29Å; F39-H55 WeakPolarHBondContact CE1-CD2 3.48Å; F39-H55 AromaticContact CE1-CG 3.56Å; F39-H55 AromaticContact CE1-NE2 3.7Å; F39-H55 HydrophobicContact CE2-CB 3.94Å; F39-H55 HydrophobicContact CZ-CB 3.8Å; F39-H55 AromaticContact CZ-CD2 3.66Å; F39-H55 AromaticContact CZ-CG 3.8Å | ||
| 40 | F | 95.7 | Very high | 95.2 | Very high | 22 Ų | 22 | 62 Ų | 62 | 10% | 0.096 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 140.7 | -178.4 | -57.9 | -72.8 | 0 | 0 | 0 | 112.5 | P15 R18 L24 Y28 I29 K30 P38 | P15-F40 HydrophobicContact CG-CD2 3.62Å; P15-F40 HydrophobicContact CG-CE2 3.74Å; R18-F40 WeakPolarHBondContact CG-O 3.49Å; R18-F40 PolarHBondContact N-O 3.44Å; L24-F40 HydrophobicContact CD1-CB 3.43Å; L24-F40 VanDerWaalsContact CD1-CB 3.43Å; L24-F40 HydrophobicContact CD1-CG 4.15Å; Y28-F40 AromaticContact CD2-CD1 3.96Å; Y28-F40 HydrophobicContact CD2-CD1 3.96Å; Y28-F40 AromaticContact CE2-CD1 3.65Å; Y28-F40 HydrophobicContact CE2-CD1 3.65Å; Y28-F40 AromaticContact CE2-CE1 3.87Å; Y28-F40 HydrophobicContact CE2-CE1 3.87Å; Y28-F40 HydrophobicContact CE2-CG 4.41Å; I29-F40 CarbonylContact O-C 3.55Å; I29-F40 VanDerWaalsContact O-CA 3.22Å; I29-F40 WeakPolarHBondContact O-CA 3.42Å; K30-F40 HydrophobicContact CB-CD1 3.68Å; K30-F40 HydrophobicContact CB-CE1 3.63Å; K30-F40 HydrophobicContact CD-CE1 3.84Å; K30-F40 HydrophobicContact CG-CD1 3.97Å; K30-F40 HydrophobicContact CG-CE1 3.56Å; K30-F40 HydrophobicContact CG-CZ 4.45Å; P38-F40 HydrophobicContact CB-CE2 3.87Å; P38-F40 HydrophobicContact CB-CZ 3.89Å; P38-F40 HydrophobicContact CG-CE2 3.77Å; P38-F40 HydrophobicContact CG-CZ 4.05Å |
| 41 | L | 97 | Very high | 95.3 | Very high | 3 Ų | 3 | 63.4 Ų | 63.4 | 2% | 0.016 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 144.1 | 175 | -66.6 | 179.1 | 0 | 0 | 0 | 110.7 | R18 I29 F39 C45 F46 F50 | R18-L41 HydrophobicContact CB-CD2 4.2Å; I29-L41 HydrophobicContact CB-CB 4.43Å; I29-L41 PolarHBondContact N-O 3.41Å; I29-L41 PolarHBondContact O-N 3.16Å; F39-L41 HydrophobicContact CD1-CD2 4.49Å; F39-L41 HydrophobicContact CD1-CG 4.23Å; F39-L41 HydrophobicContact CE1-CD1 4.15Å; F39-L41 HydrophobicContact CE1-CD2 3.73Å; F39-L41 HydrophobicContact CE1-CG 3.82Å; L41-C45 HydrophobicContact CB-CB 4.3Å; L41-C45 HydrophobicContact CD2-CB 3.92Å; L41-F46 HydrophobicContact CB-CB 4.42Å; L41-F50 HydrophobicContact CD1-CB 4.35Å; L41-F50 HydrophobicContact CD1-CD1 4.4Å; L41-F50 HydrophobicContact CD2-CD1 3.69Å; L41-F50 HydrophobicContact CD2-CE1 4.32Å; L41-F50 HydrophobicContact CD2-CG 4.37Å |
| 42 | C | 97 | Very high | 95.1 | Very high | 17 Ų | 17 | 68.4 Ų | 68.4 | 12% | 0.115 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 159.7 | 162.3 | 70.2 | 0 | 0 | 0 | 0 | 109.1 | C17 L24 Q44 C45 F46 | C17-C42 HydrophobicContact CB-CB 4.19Å; C17-C42 PolarHBondContact SG-N 3.04Å; C17-C42 VanDerWaalsContact SG-SG 3.63Å; L24-C42 HydrophobicContact CD2-CB 3.89Å; L24-C42 VanDerWaalsContact CD2-N 3.29Å; C42-Q44 PolarHBondContact O-N 3.43Å; C42-Q44 VanDerWaalsContact O-N 3.15Å; C42-C45 PolarHBondContact O-N 3.01Å; C42-C45 VanDerWaalsContact O-N 3.12Å; C42-C45 PolarHBondContact SG-N 3.17Å; C42-C45 VanDerWaalsContact SG-N 3.38Å; C42-C45 VanDerWaalsContact SG-SG 3.63Å; C42-F46 PolarHBondContact O-N 3.49Å |
| 43 | L | 96.8 | Very high | 94.9 | Very high | 89 Ų | 89 | 73.9 Ų | 73.9 | 47% | 0.466 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -57.1 | -33.7 | -179.4 | -172.3 | 60.2 | 0 | 0 | 0 | 112.7 | F46 T47 | L43-F46 HydrophobicContact CD1-CD1 4.5Å; L43-F46 PolarHBondContact O-N 3.3Å; L43-T47 HydrophobicContact CD1-CG2 4.3Å; L43-T47 HydrophobicContact CG-CG2 4.46Å; L43-T47 WeakPolarHBondContact O-CB 3.48Å; L43-T47 WeakPolarHBondContact O-CG2 2.85Å; L43-T47 PolarHBondContact O-N 2.97Å; L43-T47 PolarHBondContact O-OG1 3.03Å |
| 44 | Q | 97.8 | Very high | 94.8 | Very high | 130 Ų | 130 | 77.8 Ų | 77.8 | 61% | 0.607 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -68 | -42.1 | 178.1 | -65.7 | -179.2 | -7.6 | 0 | 0 | 112.8 | C42 T47 R48 | C42-Q44 PolarHBondContact O-N 3.43Å; C42-Q44 VanDerWaalsContact O-N 3.15Å; Q44-T47 PolarHBondContact O-OG1 3.1Å; Q44-T47 VanDerWaalsContact O-OG1 3.14Å; Q44-R48 WeakPolarHBondContact O-CB 3.38Å; Q44-R48 WeakPolarHBondContact O-CD 3.36Å; Q44-R48 VanDerWaalsContact O-CG 3.24Å; Q44-R48 WeakPolarHBondContact O-CG 3.19Å; Q44-R48 PolarHBondContact O-N 3.34Å |
| 45 | C | 98 | Very high | 94.9 | Very high | 9 Ų | 9 | 77.4 Ų | 77.4 | 6% | 0.061 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -69.9 | -37.2 | 176.9 | -73.5 | 0 | 0 | 0 | 0 | 111.3 | C17 L41 C42 R48 G49 F50 | C17-C45 VanDerWaalsContact SG-SG 3.6Å; L41-C45 HydrophobicContact CB-CB 4.3Å; L41-C45 HydrophobicContact CD2-CB 3.92Å; C42-C45 PolarHBondContact O-N 3.01Å; C42-C45 VanDerWaalsContact O-N 3.12Å; C42-C45 PolarHBondContact SG-N 3.17Å; C42-C45 VanDerWaalsContact SG-N 3.38Å; C42-C45 VanDerWaalsContact SG-SG 3.63Å; C45-R48 PolarHBondContact O-N 3.35Å; C45-G49 PolarHBondContact O-N 3.36Å; C45-F50 HydrophobicContact CB-CB 4Å; C45-F50 HydrophobicContact CB-CG 4.47Å; C45-F50 WeakPolarHBondContact O-CB 3.41Å; C45-F50 PolarHBondContact O-N 2.97Å |
| 46 | F | 97.9 | Very high | 95.3 | Very high | 56 Ų | 56 | 78.3 Ų | 78.3 | 25% | 0.246 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -62.5 | -50.7 | 176 | 176.8 | -104.7 | 0 | 0 | 0 | 112.1 | I29 L41 C42 L43 R48 G49 Y61 | I29-F46 HydrophobicContact CB-CB 4.44Å; I29-F46 HydrophobicContact CB-CD2 4.3Å; I29-F46 HydrophobicContact CB-CG 4.4Å; I29-F46 HydrophobicContact CD1-CD1 4.37Å; I29-F46 HydrophobicContact CD1-CG 4.45Å; I29-F46 HydrophobicContact CG1-CB 3.8Å; I29-F46 HydrophobicContact CG1-CD1 4.04Å; I29-F46 HydrophobicContact CG1-CD2 4Å; I29-F46 HydrophobicContact CG1-CG 3.67Å; I29-F46 HydrophobicContact CG2-CD2 3.85Å; I29-F46 HydrophobicContact CG2-CE2 4.14Å; I29-F46 HydrophobicContact CG2-CG 4.4Å; L41-F46 HydrophobicContact CB-CB 4.42Å; C42-F46 PolarHBondContact O-N 3.49Å; L43-F46 HydrophobicContact CD1-CD1 4.5Å; L43-F46 PolarHBondContact O-N 3.3Å; F46-R48 PolarHBondContact O-N 3.02Å; F46-G49 PolarHBondContact O-N 2.9Å; F46-Y61 AromaticContact CE2-CD1 3.9Å; F46-Y61 HydrophobicContact CE2-CD1 3.9Å; F46-Y61 HydrophobicContact CE2-CE1 4.18Å; F46-Y61 HydrophobicContact CE2-CG 4.08Å; F46-Y61 AromaticContact CZ-CD1 3.81Å; F46-Y61 HydrophobicContact CZ-CD1 3.81Å; F46-Y61 HydrophobicContact CZ-CD2 4.31Å; F46-Y61 AromaticContact CZ-CE1 3.61Å; F46-Y61 HydrophobicContact CZ-CE1 3.61Å; F46-Y61 HydrophobicContact CZ-CE2 4.12Å; F46-Y61 HydrophobicContact CZ-CG 4.17Å; F46-Y61 AromaticContact CZ-CZ 3.77Å |
| 47 | T | 97.3 | Very high | 95.8 | Very high | 102 Ų | 102 | 74.8 Ų | 74.8 | 63% | 0.626 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -65.3 | -21.5 | -179.8 | 49.8 | 0 | 0 | 0 | 0 | 113.9 | L43 Q44 G49 | L43-T47 HydrophobicContact CD1-CG2 4.3Å; L43-T47 HydrophobicContact CG-CG2 4.46Å; L43-T47 WeakPolarHBondContact O-CB 3.48Å; L43-T47 WeakPolarHBondContact O-CG2 2.85Å; L43-T47 PolarHBondContact O-N 2.97Å; L43-T47 PolarHBondContact O-OG1 3.03Å; Q44-T47 PolarHBondContact O-OG1 3.1Å; Q44-T47 VanDerWaalsContact O-OG1 3.14Å; T47-G49 VanDerWaalsContact C-N 3.29Å |
| 48 | R | 97.8 | Very high | 96.2 | Very high | 201 Ų | 201 | 77.2 Ų | 77.2 | 76% | 0.758 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -3.4 | 172.4 | -72.2 | 174 | 178.1 | 177.3 | 0.5 | 113.7 | Q44 C45 F46 | Q44-R48 WeakPolarHBondContact O-CB 3.38Å; Q44-R48 WeakPolarHBondContact O-CD 3.36Å; Q44-R48 VanDerWaalsContact O-CG 3.24Å; Q44-R48 WeakPolarHBondContact O-CG 3.19Å; Q44-R48 PolarHBondContact O-N 3.34Å; C45-R48 PolarHBondContact O-N 3.35Å; F46-R48 PolarHBondContact O-N 3.02Å |
| 49 | G | 97.4 | Very high | 96.6 | Very high | 32 Ų | 32 | 75.8 Ų | 75.8 | 33% | 0.33 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65 | 44.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | C45 F46 T47 E51 | C45-G49 PolarHBondContact O-N 3.36Å; F46-G49 PolarHBondContact O-N 2.9Å; T47-G49 VanDerWaalsContact C-N 3.29Å; G49-E51 PolarHBondContact O-N 3.46Å |
| 50 | F | 97.8 | Very high | 96.8 | Very high | 55 Ų | 55 | 79.3 Ų | 79.3 | 24% | 0.241 | 39% | 0.388 | C | S | . | . | trans | -61.8 | 121.4 | 179.4 | 179.2 | -94.3 | 0 | 0 | 0 | 111.1 | G19 F39 L41 C45 Y52 H55 | G19-F50 VanDerWaalsContact CA-CZ 3.42Å; F39-F50 HydrophobicContact CZ-CD1 4.41Å; F39-F50 HydrophobicContact CZ-CE1 4.08Å; L41-F50 HydrophobicContact CD1-CB 4.35Å; L41-F50 HydrophobicContact CD1-CD1 4.4Å; L41-F50 HydrophobicContact CD2-CD1 3.69Å; L41-F50 HydrophobicContact CD2-CE1 4.32Å; L41-F50 HydrophobicContact CD2-CG 4.37Å; C45-F50 HydrophobicContact CB-CB 4Å; C45-F50 HydrophobicContact CB-CG 4.47Å; C45-F50 WeakPolarHBondContact O-CB 3.41Å; C45-F50 PolarHBondContact O-N 2.97Å; F50-Y52 HydrophobicContact CE1-CG 4.39Å; F50-Y52 HydrophobicContact CZ-CD2 4.5Å; F50-Y52 HydrophobicContact CZ-CG 4.33Å; F50-H55 PolarHBondContact O-CD2 3.06Å; F50-H55 VanDerWaalsContact O-CD2 3.24Å; F50-H55 PolarHBondContact O-NE2 3.3Å | ||
| 51 | E | 97.4 | Very high | 96.8 | Very high | 88 Ų | 88 | 83.8 Ų | 83.8 | 41% | 0.411 | 41% | 0.405 | S | S | . | . | trans | -118 | 141.5 | 177.8 | -66.3 | -175.8 | 167.3 | 0 | 0 | 110.5 | G49 S57 | G49-E51 PolarHBondContact O-N 3.46Å; E51-S57 WeakPolarHBondContact OE1-CB 3.23Å; E51-S57 PolarHBondContact OE1-N 2.96Å; E51-S57 PolarHBondContact OE1-OG 3.44Å | ||
| 52 | Y | 92.8 | Very high | 96.7 | Very high | 111 Ų | 111 | 87.7 Ų | 87.7 | 44% | 0.435 | 42% | 0.423 | S | S | . | . | B | Isolated β-bridge | trans | -157.7 | 124.8 | -179.5 | -176.7 | -105.2 | 0 | 0 | 0 | 112.4 | F39 F50 K54 H55 | F39-Y52 HydrophobicContact CE2-CD1 4.36Å; F50-Y52 HydrophobicContact CE1-CG 4.39Å; F50-Y52 HydrophobicContact CZ-CD2 4.5Å; F50-Y52 HydrophobicContact CZ-CG 4.33Å; Y52-K54 PolarHBondContact O-N 3.16Å; Y52-H55 PolarHBondContact N-O 3.07Å; Y52-H55 WeakPolarHBondContact O-CB 3.45Å; Y52-H55 PolarHBondContact O-N 3.28Å |
| 53 | K | 91.4 | Very high | 96.5 | Very high | 168 Ų | 168 | 90.7 Ų | 90.7 | 73% | 0.73 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | -110.5 | -177.6 | -65.6 | 178.2 | 173.3 | 164.3 | 0 | 110.7 | ||
| 54 | K | 94.5 | Very high | 96.3 | Very high | 188 Ų | 188 | 87.9 Ų | 87.9 | 82% | 0.817 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -7.5 | -178.9 | -62.8 | -172.4 | 176.8 | -174.2 | 0 | 113.2 | Y52 H59 | Y52-K54 PolarHBondContact O-N 3.16Å; K54-H59 PolarHBondContact O-CE1 3.12Å |
| 55 | H | 97.1 | Very high | 95.9 | Very high | 13 Ų | 13 | 84.1 Ų | 84.1 | 6% | 0.06 | 41% | 0.406 | C | S | . | . | B | Isolated β-bridge | trans | -80.9 | 129.6 | 175.6 | 179.4 | 58.4 | 0 | 0 | 0 | 109.6 | F39 F50 Y52 H59 | F39-H55 HydrophobicContact CD1-CB 4.45Å; F39-H55 AromaticContact CD1-CD2 3.98Å; F39-H55 AromaticContact CD1-CG 3.91Å; F39-H55 HydrophobicContact CD2-CB 4.32Å; F39-H55 HydrophobicContact CE1-CB 4.07Å; F39-H55 AromaticContact CE1-CD2 3.29Å; F39-H55 WeakPolarHBondContact CE1-CD2 3.48Å; F39-H55 AromaticContact CE1-CG 3.56Å; F39-H55 AromaticContact CE1-NE2 3.7Å; F39-H55 HydrophobicContact CE2-CB 3.94Å; F39-H55 HydrophobicContact CZ-CB 3.8Å; F39-H55 AromaticContact CZ-CD2 3.66Å; F39-H55 AromaticContact CZ-CG 3.8Å; F50-H55 PolarHBondContact O-CD2 3.06Å; F50-H55 VanDerWaalsContact O-CD2 3.24Å; F50-H55 PolarHBondContact O-NE2 3.3Å; Y52-H55 PolarHBondContact N-O 3.07Å; Y52-H55 WeakPolarHBondContact O-CB 3.45Å; Y52-H55 PolarHBondContact O-N 3.28Å; H55-H59 AromaticContact ND1-ND1 3.83Å |
| 56 | Q | 97.9 | Very high | 95.1 | Very high | 76 Ų | 76 | 87.2 Ų | 87.2 | 36% | 0.355 | 42% | 0.424 | S | S | . | . | trans | -117.7 | 152.8 | 171.6 | -60.3 | -66.4 | -87.4 | 0 | 0 | 109.5 | D58 H59 | Q56-D58 WeakPolarHBondContact CB-OD1 3.33Å; Q56-D58 PolarHBondContact O-N 3.39Å; Q56-H59 WeakPolarHBondContact O-CB 3.17Å; Q56-H59 PolarHBondContact O-N 3.16Å | ||
| 57 | S | 97.4 | Very high | 94.4 | Very high | 58 Ų | 58 | 87.5 Ų | 87.5 | 41% | 0.406 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -17.2 | -175.5 | 57.7 | 0 | 0 | 0 | 0 | 113.3 | E51 | E51-S57 WeakPolarHBondContact OE1-CB 3.23Å; E51-S57 PolarHBondContact OE1-N 2.96Å; E51-S57 PolarHBondContact OE1-OG 3.44Å |
| 58 | D | 97 | Very high | 93.6 | Very high | 129 Ų | 129 | 86 Ų | 86 | 69% | 0.69 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -3.1 | 177.1 | 67 | -19.5 | 0 | 0 | 0 | 113.8 | Q56 T60 | Q56-D58 WeakPolarHBondContact CB-OD1 3.33Å; Q56-D58 PolarHBondContact O-N 3.39Å; D58-T60 PolarHBondContact O-N 3.47Å |
| 59 | H | 97.9 | Very high | 92.8 | Very high | 34 Ų | 34 | 78.2 Ų | 78.2 | 16% | 0.157 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -60.1 | 140.9 | 172.9 | -74.2 | -172.2 | 0 | 0 | 0 | 111.1 | C31 E33 C34 K54 H55 Q56 | C31-H59 VanDerWaalsContact SG-CB 3.56Å; E33-H59 HydrophobicContact CB-CB 4.34Å; E33-H59 HydrophobicContact CG-CB 4.45Å; E33-H59 VanDerWaalsContact OE1-CA 3.3Å; E33-H59 WeakPolarHBondContact OE1-CA 3.14Å; E33-H59 IonicContact OE1-CG 3.97Å; E33-H59 IonicContact OE2-CD2 3.6Å; E33-H59 IonicContact OE2-CG 3.85Å; E33-H59 IonicContact OE2-NE2 3.9Å; C34-H59 PolarHBondContact SG-ND1 2.99Å; C34-H59 VanDerWaalsContact SG-ND1 3.37Å; K54-H59 PolarHBondContact O-CE1 3.12Å; H55-H59 AromaticContact ND1-ND1 3.83Å; Q56-H59 WeakPolarHBondContact O-CB 3.17Å; Q56-H59 PolarHBondContact O-N 3.16Å |
| 60 | T | 97.9 | Very high | 91.9 | Very high | 84 Ų | 84 | 81.2 Ų | 81.2 | 52% | 0.515 | 40% | 0.404 | S | S | . | . | trans | -55.5 | 144.3 | 168.9 | 55.7 | 0 | 0 | 0 | 0 | 111 | A32 E33 D58 | A32-T60 WeakPolarHBondContact CB-O 3.42Å; A32-T60 PolarHBondContact N-O 3.11Å; E33-T60 WeakPolarHBondContact CG-OG1 3.29Å; E33-T60 PolarHBondContact OE1-N 3.48Å; E33-T60 PolarHBondContact OE1-OG1 3.22Å; D58-T60 PolarHBondContact O-N 3.47Å | ||
| 61 | Y | 96.6 | Very high | 90.8 | Very high | 116 Ų | 116 | 83.2 Ų | 83.2 | 46% | 0.455 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 155.8 | -171.4 | 68.9 | -91.2 | 0 | 0 | 0 | 112.2 | I29 K30 F46 I63 | I29-Y61 HydrophobicContact CD1-CD2 4.19Å; I29-Y61 HydrophobicContact CD1-CE2 4.43Å; I29-Y61 HydrophobicContact CG2-CD2 4.07Å; I29-Y61 HydrophobicContact CG2-CG 4.13Å; K30-Y61 WeakPolarHBondContact O-CA 3.3Å; F46-Y61 AromaticContact CE2-CD1 3.9Å; F46-Y61 HydrophobicContact CE2-CD1 3.9Å; F46-Y61 HydrophobicContact CE2-CE1 4.18Å; F46-Y61 HydrophobicContact CE2-CG 4.08Å; F46-Y61 AromaticContact CZ-CD1 3.81Å; F46-Y61 HydrophobicContact CZ-CD1 3.81Å; F46-Y61 HydrophobicContact CZ-CD2 4.31Å; F46-Y61 AromaticContact CZ-CE1 3.61Å; F46-Y61 HydrophobicContact CZ-CE1 3.61Å; F46-Y61 HydrophobicContact CZ-CE2 4.12Å; F46-Y61 HydrophobicContact CZ-CG 4.17Å; F46-Y61 AromaticContact CZ-CZ 3.77Å; Y61-I63 HydrophobicContact CD2-CG1 4.16Å; Y61-I63 HydrophobicContact CE2-CD1 4.24Å; Y61-I63 HydrophobicContact CE2-CG1 3.77Å |
| 62 | E | 94.8 | Very high | 89.9 | Confident | 85 Ų | 85 | 83.8 Ų | 83.8 | 40% | 0.397 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 130.4 | 171.4 | -67.9 | 167.3 | -159.6 | 0 | 0 | 108.6 | K30 | K30-E62 HydrophobicContact CB-CB 4.37Å; K30-E62 PolarHBondContact N-O 3.37Å; K30-E62 IonicContact NZ-OE1 2.76Å; K30-E62 IonicContact NZ-OE2 3.59Å; K30-E62 PolarHBondContact NZ-OE2 2.91Å; K30-E62 PolarHBondContact O-N 2.93Å |
| 63 | I | 93.8 | Very high | 89.3 | Confident | 81 Ų | 81 | 82.5 Ų | 82.5 | 42% | 0.415 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 124.2 | 169.2 | -58.7 | 178.1 | 0 | 0 | 0 | 107.2 | P27 I29 Y61 N68 | P27-I63 HydrophobicContact CB-CG2 4.11Å; I29-I63 HydrophobicContact CD1-CG1 4.09Å; Y61-I63 HydrophobicContact CD2-CG1 4.16Å; Y61-I63 HydrophobicContact CE2-CD1 4.24Å; Y61-I63 HydrophobicContact CE2-CG1 3.77Å; I63-N68 PolarHBondContact O-ND2 2.81Å; I63-N68 VanDerWaalsContact O-ND2 3.09Å |
| 64 | M | 91.6 | Very high | 89.3 | Confident | 30 Ų | 30 | 77.8 Ų | 77.8 | 15% | 0.148 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 108.2 | 178 | -61.1 | -64.5 | -52.7 | 0 | 0 | 109.1 | P27 Y28 K30 Q69 | P27-M64 WeakPolarHBondContact CA-O 3.32Å; Y28-M64 HydrophobicContact CD1-CB 3.67Å; Y28-M64 VanDerWaalsContact CD1-O 3.24Å; Y28-M64 WeakPolarHBondContact CD1-O 3.49Å; Y28-M64 HydrophobicContact CD2-CB 3.81Å; Y28-M64 HydrophobicContact CD2-CG 4.1Å; Y28-M64 HydrophobicContact CE1-CB 3.23Å; Y28-M64 HydrophobicContact CE1-CG 4.28Å; Y28-M64 WeakPolarHBondContact CE1-O 3.33Å; Y28-M64 HydrophobicContact CE2-CB 3.39Å; Y28-M64 HydrophobicContact CE2-CG 3.54Å; Y28-M64 HydrophobicContact CG-CB 3.95Å; Y28-M64 PolarHBondContact N-O 2.94Å; Y28-M64 VanDerWaalsContact N-O 3.08Å; Y28-M64 WeakPolarHBondContact O-CB 3.49Å; Y28-M64 PolarHBondContact O-N 3.35Å; K30-M64 HydrophobicContact CB-CG 3.81Å; K30-M64 HydrophobicContact CB-SD 4.28Å; K30-M64 HydrophobicContact CD-SD 4.21Å; M64-Q69 HydrophobicContact CE-CG 4.29Å |
| 65 | D | 89.4 | Confident | 89 | Confident | 50 Ų | 50 | 75.6 Ų | 75.6 | 27% | 0.267 | 41% | 0.406 | S | S | . | . | trans | -132.7 | -177.3 | 174.6 | 64.5 | 8.5 | 0 | 0 | 0 | 109.9 | P27 A67 N68 Q69 | P27-D65 HydrophobicContact CB-CB 4.3Å; D65-A67 VanDerWaalsContact C-N 3.31Å; D65-A67 PolarHBondContact O-N 3.44Å; D65-A67 PolarHBondContact OD1-N 3.23Å; D65-N68 VanDerWaalsContact OD1-CB 3.29Å; D65-N68 WeakPolarHBondContact OD1-CB 3.24Å; D65-N68 PolarHBondContact OD1-N 3.06Å; D65-N68 PolarHBondContact OD1-ND2 3.37Å; D65-Q69 VanDerWaalsContact O-CG 3.3Å; D65-Q69 WeakPolarHBondContact O-CG 3.32Å; D65-Q69 PolarHBondContact O-N 2.98Å; D65-Q69 PolarHBondContact O-NE2 3.37Å | ||
| 66 | V | 81.6 | Confident | 88.7 | Confident | 74 Ų | 74 | 80.7 Ų | 80.7 | 45% | 0.448 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.8 | -42 | 178.7 | -179.4 | 0 | 0 | 0 | 0 | 111.5 | E26 Q69 M70 | E26-V66 WeakPolarHBondContact OE2-CG2 3.39Å; V66-Q69 WeakPolarHBondContact O-CB 3.48Å; V66-Q69 PolarHBondContact O-N 3.43Å; V66-M70 HydrophobicContact CG1-CE 3.41Å; V66-M70 VanDerWaalsContact CG1-CE 3.41Å; V66-M70 HydrophobicContact CG1-CG 4.39Å; V66-M70 HydrophobicContact CG1-SD 3.96Å; V66-M70 WeakPolarHBondContact O-CG 3.48Å; V66-M70 PolarHBondContact O-N 3.48Å |
| 67 | A | 82.8 | Confident | 88.2 | Confident | 62 Ų | 62 | 79.8 Ų | 79.8 | 51% | 0.512 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.9 | -45.4 | -177 | 0 | 0 | 0 | 0 | 0 | 111.9 | D65 Q69 M70 C71 | D65-A67 VanDerWaalsContact C-N 3.31Å; D65-A67 PolarHBondContact O-N 3.44Å; D65-A67 PolarHBondContact OD1-N 3.23Å; A67-Q69 VanDerWaalsContact C-N 3.26Å; A67-Q69 PolarHBondContact O-N 3.35Å; A67-M70 PolarHBondContact O-N 2.77Å; A67-C71 PolarHBondContact O-N 3.2Å |
| 68 | N | 81.5 | Confident | 87.6 | Confident | 72 Ų | 72 | 79.1 Ų | 79.1 | 39% | 0.385 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -66.7 | -28.6 | 175.4 | -74.9 | -67 | 0 | 0 | 0 | 112.2 | I63 D65 C71 | I63-N68 PolarHBondContact O-ND2 2.81Å; I63-N68 VanDerWaalsContact O-ND2 3.09Å; D65-N68 VanDerWaalsContact OD1-CB 3.29Å; D65-N68 WeakPolarHBondContact OD1-CB 3.24Å; D65-N68 PolarHBondContact OD1-N 3.06Å; D65-N68 PolarHBondContact OD1-ND2 3.37Å; N68-C71 PolarHBondContact O-SG 3.2Å |
| 69 | Q | 79.5 | Confident | 87.2 | Confident | 36 Ų | 36 | 77.6 Ų | 77.6 | 17% | 0.168 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -71.6 | -37.9 | 171.9 | -75.2 | 173.2 | 62.6 | 0 | 0 | 112 | E26 M64 D65 V66 A67 T72 K73 | E26-Q69 PolarHBondContact OE1-NE2 3.17Å; M64-Q69 HydrophobicContact CE-CG 4.29Å; D65-Q69 VanDerWaalsContact O-CG 3.3Å; D65-Q69 WeakPolarHBondContact O-CG 3.32Å; D65-Q69 PolarHBondContact O-N 2.98Å; D65-Q69 PolarHBondContact O-NE2 3.37Å; V66-Q69 WeakPolarHBondContact O-CB 3.48Å; V66-Q69 PolarHBondContact O-N 3.43Å; A67-Q69 VanDerWaalsContact C-N 3.26Å; A67-Q69 PolarHBondContact O-N 3.35Å; Q69-T72 PolarHBondContact O-OG1 3.04Å; Q69-T72 VanDerWaalsContact O-OG1 3.13Å; Q69-K73 WeakPolarHBondContact O-CG 3.46Å |
| 70 | M | 79.8 | Confident | 86.7 | Confident | 96 Ų | 96 | 82.8 Ų | 82.8 | 47% | 0.473 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -72.2 | -33 | 179.3 | -70.8 | 176.7 | 176.2 | 0 | 0 | 113 | V66 A67 T72 K73 | V66-M70 HydrophobicContact CG1-CE 3.41Å; V66-M70 VanDerWaalsContact CG1-CE 3.41Å; V66-M70 HydrophobicContact CG1-CG 4.39Å; V66-M70 HydrophobicContact CG1-SD 3.96Å; V66-M70 WeakPolarHBondContact O-CG 3.48Å; V66-M70 PolarHBondContact O-N 3.48Å; A67-M70 PolarHBondContact O-N 2.77Å; M70-T72 PolarHBondContact O-N 3.09Å; M70-T72 VanDerWaalsContact O-N 3.15Å; M70-K73 PolarHBondContact O-N 2.78Å |
| 71 | C | 74.7 | Confident | 86.1 | Confident | 96 Ų | 96 | 83 Ų | 83 | 65% | 0.649 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -20.4 | -176.8 | 74.6 | 0 | 0 | 0 | 0 | 113.8 | A67 N68 | A67-C71 PolarHBondContact O-N 3.2Å; N68-C71 PolarHBondContact O-SG 3.2Å |
| 72 | T | 77.1 | Confident | 85.5 | Confident | 100 Ų | 100 | 83.6 Ų | 83.6 | 61% | 0.613 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | 6.7 | 177.4 | 63.3 | 0 | 0 | 0 | 0 | 113.5 | Q69 M70 | Q69-T72 PolarHBondContact O-OG1 3.04Å; Q69-T72 VanDerWaalsContact O-OG1 3.13Å; M70-T72 PolarHBondContact O-N 3.09Å; M70-T72 VanDerWaalsContact O-N 3.15Å |
| 73 | K | 81.7 | Confident | 85.2 | Confident | 84 Ų | 84 | 83.3 Ų | 83.3 | 37% | 0.365 | 43% | 0.428 | S | S | . | . | S | Bend | trans | -116.4 | 148.7 | -171.7 | -59 | -63.3 | 172.6 | -166.2 | 0 | 112.6 | Q69 M70 E77 | Q69-K73 WeakPolarHBondContact O-CG 3.46Å; M70-K73 PolarHBondContact O-N 2.78Å; K73-E77 VanDerWaalsContact CA-OE2 3.23Å; K73-E77 WeakPolarHBondContact CA-OE2 3.38Å; K73-E77 HydrophobicContact CB-CB 4.17Å; K73-E77 HydrophobicContact CD-CB 4.48Å; K73-E77 WeakPolarHBondContact CD-OE2 3.41Å |
| 74 | T | 89.8 | Confident | 84.7 | Confident | 70 Ų | 70 | 85.3 Ų | 85.3 | 43% | 0.429 | 43% | 0.434 | S | S | . | . | trans | -76.1 | 165.1 | 171.6 | 83.7 | 0 | 0 | 0 | 0 | 111 | E76 E77 C78 | T74-E76 VanDerWaalsContact C-N 3.27Å; T74-E76 WeakPolarHBondContact CB-OE2 3.21Å; T74-E76 PolarHBondContact O-N 3.43Å; T74-E76 PolarHBondContact OG1-N 3.41Å; T74-E76 PolarHBondContact OG1-OE2 3.2Å; T74-E77 PolarHBondContact N-OE2 3.23Å; T74-E77 PolarHBondContact O-N 3.04Å; T74-E77 PolarHBondContact OG1-N 3.15Å; T74-C78 PolarHBondContact O-N 3.01Å; T74-C78 VanDerWaalsContact O-N 3.09Å | ||
| 75 | K | 88.5 | Confident | 84.1 | Confident | 141 Ų | 141 | 86.6 Ų | 86.6 | 61% | 0.613 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -53.5 | -47.1 | 175 | 177.3 | -177.4 | 169 | -175.8 | 0 | 111.4 | E77 C78 E79 | K75-E77 VanDerWaalsContact C-N 3.31Å; K75-E77 PolarHBondContact O-N 3.4Å; K75-C78 PolarHBondContact O-N 3.17Å; K75-E79 WeakPolarHBondContact CE-OE1 3.5Å; K75-E79 HydrophobicContact CG-CG 4.48Å; K75-E79 IonicContact NZ-OE1 3.82Å; K75-E79 WeakPolarHBondContact O-CG 3.24Å; K75-E79 PolarHBondContact O-N 2.94Å |
| 76 | E | 92.1 | Very high | 83.7 | Confident | 121 Ų | 121 | 88.9 Ų | 88.9 | 57% | 0.565 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -64.5 | -36.7 | -176.8 | -58.8 | 70.5 | -150.2 | 0 | 0 | 111.5 | T74 K80 | T74-E76 VanDerWaalsContact C-N 3.27Å; T74-E76 WeakPolarHBondContact CB-OE2 3.21Å; T74-E76 PolarHBondContact O-N 3.43Å; T74-E76 PolarHBondContact OG1-N 3.41Å; T74-E76 PolarHBondContact OG1-OE2 3.2Å; E76-K80 WeakPolarHBondContact O-CB 3.21Å; E76-K80 PolarHBondContact O-N 3.09Å |
| 77 | E | 86.9 | Confident | 83.9 | Confident | 57 Ų | 57 | 89.7 Ų | 89.7 | 27% | 0.266 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -67.8 | -45.1 | 176.9 | -67 | 179.4 | 134.5 | 0 | 0 | 111.7 | F7 K73 T74 K75 K80 H81 | F7-E77 HydrophobicContact CE1-CG 4.17Å; F7-E77 HydrophobicContact CZ-CG 4.32Å; K73-E77 VanDerWaalsContact CA-OE2 3.23Å; K73-E77 WeakPolarHBondContact CA-OE2 3.38Å; K73-E77 HydrophobicContact CB-CB 4.17Å; K73-E77 HydrophobicContact CD-CB 4.48Å; K73-E77 WeakPolarHBondContact CD-OE2 3.41Å; T74-E77 PolarHBondContact N-OE2 3.23Å; T74-E77 PolarHBondContact O-N 3.04Å; T74-E77 PolarHBondContact OG1-N 3.15Å; K75-E77 VanDerWaalsContact C-N 3.31Å; K75-E77 PolarHBondContact O-N 3.4Å; E77-K80 PolarHBondContact O-N 3.35Å; E77-H81 WeakPolarHBondContact O-CB 3.47Å; E77-H81 PolarHBondContact O-N 2.78Å |
| 78 | C | 84.7 | Confident | 83.8 | Confident | 44 Ų | 44 | 92.2 Ų | 92.2 | 30% | 0.297 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 176.4 | -73.1 | 0 | 0 | 0 | 0 | 111.8 | T74 K75 H81 Y82 | T74-C78 PolarHBondContact O-N 3.01Å; T74-C78 VanDerWaalsContact O-N 3.09Å; K75-C78 PolarHBondContact O-N 3.17Å; C78-H81 PolarHBondContact O-N 3.44Å; C78-Y82 WeakPolarHBondContact O-CB 3.5Å; C78-Y82 PolarHBondContact O-N 2.86Å |
| 79 | E | 89.1 | Confident | 83.7 | Confident | 96 Ų | 96 | 90.5 Ų | 90.5 | 45% | 0.449 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59.6 | -49.5 | 176.1 | -76.8 | 178.1 | 176.9 | 0 | 0 | 111.2 | K75 H81 Y82 M83 | K75-E79 WeakPolarHBondContact CE-OE1 3.5Å; K75-E79 HydrophobicContact CG-CG 4.48Å; K75-E79 IonicContact NZ-OE1 3.82Å; K75-E79 WeakPolarHBondContact O-CG 3.24Å; K75-E79 PolarHBondContact O-N 2.94Å; E79-H81 VanDerWaalsContact C-N 3.32Å; E79-H81 PolarHBondContact O-N 2.93Å; E79-Y82 PolarHBondContact O-N 3.14Å; E79-M83 WeakPolarHBondContact O-CB 3.34Å; E79-M83 VanDerWaalsContact O-CG 3.23Å; E79-M83 WeakPolarHBondContact O-CG 3.23Å; E79-M83 PolarHBondContact O-N 3.31Å |
| 80 | K | 87.6 | Confident | 83.4 | Confident | 143 Ų | 143 | 93.5 Ų | 93.5 | 62% | 0.622 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -59.7 | -42.4 | 178.7 | -175.4 | -179.1 | 177.4 | -177 | 0 | 112.1 | E76 E77 K84 | E76-K80 WeakPolarHBondContact O-CB 3.21Å; E76-K80 PolarHBondContact O-N 3.09Å; E77-K80 PolarHBondContact O-N 3.35Å; K80-K84 WeakPolarHBondContact O-CB 3.26Å; K80-K84 PolarHBondContact O-N 3.08Å |
| 81 | H | 84.8 | Confident | 82.8 | Confident | 89 Ų | 89 | 95.3 Ų | 95.3 | 41% | 0.412 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61 | -49.7 | 175.8 | 175 | 96.5 | 0 | 0 | 0 | 111.1 | E77 C78 E79 M83 K84 H85 | E77-H81 WeakPolarHBondContact O-CB 3.47Å; E77-H81 PolarHBondContact O-N 2.78Å; C78-H81 PolarHBondContact O-N 3.44Å; E79-H81 VanDerWaalsContact C-N 3.32Å; E79-H81 PolarHBondContact O-N 2.93Å; H81-M83 PolarHBondContact O-N 3.15Å; H81-K84 PolarHBondContact O-N 2.67Å; H81-H85 AromaticContact CE1-CD2 3.56Å; H81-H85 AromaticContact CE1-NE2 3.99Å; H81-H85 AromaticContact ND1-CD2 3.56Å; H81-H85 AromaticContact ND1-NE2 3.95Å; H81-H85 AromaticContact NE2-CD2 3.98Å; H81-H85 PolarHBondContact O-CD2 3.42Å; H81-H85 PolarHBondContact O-N 3.44Å |
| 82 | Y | 84.5 | Confident | 82.1 | Confident | 129 Ų | 129 | 95.4 Ų | 95.4 | 51% | 0.506 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.6 | -47.6 | -178.9 | -172.3 | -90 | 0 | 0 | 0 | 111.4 | C78 E79 K84 H85 F86 I87 | C78-Y82 WeakPolarHBondContact O-CB 3.5Å; C78-Y82 PolarHBondContact O-N 2.86Å; E79-Y82 PolarHBondContact O-N 3.14Å; Y82-K84 VanDerWaalsContact C-N 3.33Å; Y82-K84 PolarHBondContact O-N 3Å; Y82-H85 PolarHBondContact O-N 3.03Å; Y82-F86 HydrophobicContact CD2-CB 4.46Å; Y82-F86 AromaticContact CD2-CD2 3.84Å; Y82-F86 HydrophobicContact CD2-CD2 3.84Å; Y82-F86 HydrophobicContact CD2-CE2 4.39Å; Y82-F86 HydrophobicContact CD2-CG 4.27Å; Y82-F86 HydrophobicContact CE1-CB 4.42Å; Y82-F86 HydrophobicContact CE2-CB 4.28Å; Y82-F86 HydrophobicContact CE2-CD2 4.22Å; Y82-F86 HydrophobicContact CE2-CG 4.21Å; Y82-F86 HydrophobicContact CG-CD2 4.29Å; Y82-F86 WeakPolarHBondContact O-CB 3.4Å; Y82-F86 PolarHBondContact O-N 3.33Å; Y82-I87 HydrophobicContact CD1-CD1 4.27Å; Y82-I87 HydrophobicContact CD1-CG1 4.04Å; Y82-I87 HydrophobicContact CE1-CD1 3.96Å; Y82-I87 HydrophobicContact CE1-CG1 3.83Å; Y82-I87 PolarHBondContact O-N 3.07Å |
| 83 | M | 87.3 | Confident | 81.2 | Confident | 79 Ų | 79 | 92.7 Ų | 92.7 | 39% | 0.389 | 46% | 0.455 | S | S | . | . | I | π-helix | trans | -58.8 | -43.4 | 177.7 | -67.9 | -61 | 135.3 | 0 | 0 | 112 | E79 H81 I87 N88 | E79-M83 WeakPolarHBondContact O-CB 3.34Å; E79-M83 VanDerWaalsContact O-CG 3.23Å; E79-M83 WeakPolarHBondContact O-CG 3.23Å; E79-M83 PolarHBondContact O-N 3.31Å; H81-M83 PolarHBondContact O-N 3.15Å; M83-I87 HydrophobicContact CE-CD1 3.5Å; M83-I87 HydrophobicContact CE-CG1 4.24Å; M83-I87 PolarHBondContact O-N 2.81Å; M83-I87 HydrophobicContact SD-CB 4.17Å; M83-I87 HydrophobicContact SD-CD1 3.48Å; M83-I87 WeakPolarHBondContact SD-CD1 3.5Å; M83-I87 HydrophobicContact SD-CG1 3.91Å; M83-N88 WeakPolarHBondContact O-CB 3.48Å; M83-N88 PolarHBondContact O-N 2.97Å; M83-N88 PolarHBondContact O-ND2 3.49Å |
| 84 | K | 83.8 | Confident | 80.1 | Confident | 123 Ų | 123 | 91.6 Ų | 91.6 | 54% | 0.535 | 46% | 0.458 | S | S | . | . | I | π-helix | trans | -68 | -47 | -179.2 | -177.7 | -173.9 | 174.2 | -165.7 | 0 | 112.4 | K80 H81 Y82 N89 | K80-K84 WeakPolarHBondContact O-CB 3.26Å; K80-K84 PolarHBondContact O-N 3.08Å; H81-K84 PolarHBondContact O-N 2.67Å; Y82-K84 VanDerWaalsContact C-N 3.33Å; Y82-K84 PolarHBondContact O-N 3Å; K84-N89 PolarHBondContact O-N 2.83Å |
| 85 | H | 79.1 | Confident | 78.7 | Confident | 56 Ų | 56 | 92 Ų | 92 | 26% | 0.259 | 46% | 0.46 | S | S | . | . | I | π-helix | trans | -89.5 | -28 | -167.9 | -74.1 | -85.8 | 0 | 0 | 0 | 113.9 | H81 Y82 N89 | H81-H85 AromaticContact CE1-CD2 3.56Å; H81-H85 AromaticContact CE1-NE2 3.99Å; H81-H85 AromaticContact ND1-CD2 3.56Å; H81-H85 AromaticContact ND1-NE2 3.95Å; H81-H85 AromaticContact NE2-CD2 3.98Å; H81-H85 PolarHBondContact O-CD2 3.42Å; H81-H85 PolarHBondContact O-N 3.44Å; Y82-H85 PolarHBondContact O-N 3.03Å; H85-N89 WeakPolarHBondContact O-CB 3.26Å; H85-N89 PolarHBondContact O-ND2 3.48Å |
| 86 | F | 81.1 | Confident | 77.5 | Confident | 98 Ų | 98 | 90.5 Ų | 90.5 | 43% | 0.43 | 46% | 0.458 | S | S | . | . | I | π-helix | trans | -114.7 | -37.5 | -173.2 | -60.9 | -88.7 | 0 | 0 | 0 | 113.6 | Y82 | Y82-F86 HydrophobicContact CD2-CB 4.46Å; Y82-F86 AromaticContact CD2-CD2 3.84Å; Y82-F86 HydrophobicContact CD2-CD2 3.84Å; Y82-F86 HydrophobicContact CD2-CE2 4.39Å; Y82-F86 HydrophobicContact CD2-CG 4.27Å; Y82-F86 HydrophobicContact CE1-CB 4.42Å; Y82-F86 HydrophobicContact CE2-CB 4.28Å; Y82-F86 HydrophobicContact CE2-CD2 4.22Å; Y82-F86 HydrophobicContact CE2-CG 4.21Å; Y82-F86 HydrophobicContact CG-CD2 4.29Å; Y82-F86 WeakPolarHBondContact O-CB 3.4Å; Y82-F86 PolarHBondContact O-N 3.33Å |
| 87 | I | 85.2 | Confident | 76 | Confident | 92 Ų | 92 | 89.6 Ų | 89.6 | 47% | 0.472 | 46% | 0.457 | S | S | . | . | I | π-helix | trans | -89.7 | -56.7 | -178.7 | -55.1 | -149.1 | 0 | 0 | 0 | 111.5 | Y82 M83 N89 | Y82-I87 HydrophobicContact CD1-CD1 4.27Å; Y82-I87 HydrophobicContact CD1-CG1 4.04Å; Y82-I87 HydrophobicContact CE1-CD1 3.96Å; Y82-I87 HydrophobicContact CE1-CG1 3.83Å; Y82-I87 PolarHBondContact O-N 3.07Å; M83-I87 HydrophobicContact CE-CD1 3.5Å; M83-I87 HydrophobicContact CE-CG1 4.24Å; M83-I87 PolarHBondContact O-N 2.81Å; M83-I87 HydrophobicContact SD-CB 4.17Å; M83-I87 HydrophobicContact SD-CD1 3.48Å; M83-I87 WeakPolarHBondContact SD-CD1 3.5Å; M83-I87 HydrophobicContact SD-CG1 3.91Å; I87-N89 VanDerWaalsContact C-N 3.33Å; I87-N89 PolarHBondContact O-N 2.93Å |
| 88 | N | 81.9 | Confident | 74.7 | Confident | 115 Ų | 115 | 91 Ų | 91 | 62% | 0.615 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -90 | 2.1 | -171.8 | -62.4 | -35.4 | 0 | 0 | 0 | 113.1 | M83 P90 | M83-N88 WeakPolarHBondContact O-CB 3.48Å; M83-N88 PolarHBondContact O-N 2.97Å; M83-N88 PolarHBondContact O-ND2 3.49Å; N88-P90 WeakPolarHBondContact O-CD 3.29Å |
| 89 | N | 79.5 | Confident | 73.7 | Confident | 36 Ų | 36 | 93.7 Ų | 93.7 | 19% | 0.193 | 48% | 0.477 | C | S | . | . | trans | -76.3 | 111.1 | -179.1 | -175.6 | -6.7 | 0 | 0 | 0 | 110.1 | K84 H85 I87 L91 F92 A93 | K84-N89 PolarHBondContact O-N 2.83Å; H85-N89 WeakPolarHBondContact O-CB 3.26Å; H85-N89 PolarHBondContact O-ND2 3.48Å; I87-N89 VanDerWaalsContact C-N 3.33Å; I87-N89 PolarHBondContact O-N 2.93Å; N89-L91 PolarHBondContact O-N 3.13Å; N89-L91 VanDerWaalsContact O-N 3.12Å; N89-L91 WeakPolarHBondContact OD1-CB 3.1Å; N89-L91 PolarHBondContact OD1-N 3.2Å; N89-L91 VanDerWaalsContact OD1-N 3.11Å; N89-F92 HydrophobicContact CB-CB 4.42Å; N89-F92 PolarHBondContact O-N 2.86Å; N89-A93 PolarHBondContact O-N 2.92Å; N89-A93 VanDerWaalsContact O-N 3.16Å | ||
| 90 | P | 72.6 | Confident | 72.4 | Confident | 99 Ų | 99 | 95 Ų | 95 | 64% | 0.643 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.7 | -21.8 | -176.4 | 25.1 | -33.2 | 0 | 0 | 0 | 113.2 | N88 S94 | N88-P90 WeakPolarHBondContact O-CD 3.29Å; P90-S94 PolarHBondContact O-N 3.05Å |
| 91 | L | 67.6 | Low | 71.3 | Confident | 133 Ų | 133 | 93.6 Ų | 93.6 | 70% | 0.696 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -69.4 | -33 | 174.5 | -61.5 | 177.1 | 0 | 0 | 0 | 112.2 | N89 | N89-L91 PolarHBondContact O-N 3.13Å; N89-L91 VanDerWaalsContact O-N 3.12Å; N89-L91 WeakPolarHBondContact OD1-CB 3.1Å; N89-L91 PolarHBondContact OD1-N 3.2Å; N89-L91 VanDerWaalsContact OD1-N 3.11Å |
| 92 | F | 58.6 | Low | 70.1 | Confident | 98 Ų | 98 | 91.4 Ų | 91.4 | 43% | 0.43 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -81.2 | -34.4 | 175.9 | -97.6 | -90 | 0 | 0 | 0 | 112.7 | N89 S94 T95 L96 | N89-F92 HydrophobicContact CB-CB 4.42Å; N89-F92 PolarHBondContact O-N 2.86Å; F92-S94 PolarHBondContact O-N 3.44Å; F92-T95 PolarHBondContact O-N 3.27Å; F92-T95 VanDerWaalsContact O-N 3.16Å; F92-L96 PolarHBondContact O-N 3.02Å |
| 93 | A | 59.9 | Low | 68.9 | Low | 44 Ų | 44 | 91.7 Ų | 91.7 | 36% | 0.364 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -56.1 | -39.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | N89 L97 | N89-A93 PolarHBondContact O-N 2.92Å; N89-A93 VanDerWaalsContact O-N 3.16Å; A93-L97 WeakPolarHBondContact O-CB 3.42Å; A93-L97 WeakPolarHBondContact O-CD1 3.45Å; A93-L97 WeakPolarHBondContact O-CG 3.43Å; A93-L97 PolarHBondContact O-N 3.25Å |
| 94 | S | 57.9 | Low | 67.6 | Low | 61 Ų | 61 | 93.6 Ų | 93.6 | 43% | 0.427 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.4 | -44.9 | 176.1 | -175.7 | 0 | 0 | 0 | 0 | 112.8 | P90 F92 L96 L97 N98 | P90-S94 PolarHBondContact O-N 3.05Å; F92-S94 PolarHBondContact O-N 3.44Å; S94-L96 PolarHBondContact O-N 3.12Å; S94-L97 PolarHBondContact O-N 3.05Å; S94-N98 WeakPolarHBondContact O-CB 3.3Å; S94-N98 PolarHBondContact O-N 3.22Å; S94-N98 PolarHBondContact O-ND2 2.93Å |
| 95 | T | 61.1 | Low | 66.4 | Low | 78 Ų | 78 | 91.8 Ų | 91.8 | 48% | 0.479 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.6 | -40.9 | 177.8 | -53.8 | 0 | 0 | 0 | 0 | 112.3 | F92 N98 L99 | F92-T95 PolarHBondContact O-N 3.27Å; F92-T95 VanDerWaalsContact O-N 3.16Å; T95-N98 PolarHBondContact O-N 3.42Å; T95-L99 PolarHBondContact O-N 2.74Å |
| 96 | L | 61.6 | Low | 65.3 | Low | 109 Ų | 109 | 96.2 Ų | 96.2 | 57% | 0.571 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.5 | -38.7 | 175.7 | -68 | 177.5 | 0 | 0 | 0 | 112.3 | F92 S94 N98 L99 K100 | F92-L96 PolarHBondContact O-N 3.02Å; S94-L96 PolarHBondContact O-N 3.12Å; L96-N98 VanDerWaalsContact C-N 3.35Å; L96-L99 HydrophobicContact CD2-CD1 4.22Å; L96-L99 PolarHBondContact O-N 2.9Å; L96-K100 PolarHBondContact O-N 3.38Å; L96-K100 VanDerWaalsContact O-N 3.1Å |
| 97 | L | 61.1 | Low | 64.1 | Low | 102 Ų | 102 | 96.9 Ų | 96.9 | 53% | 0.534 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.2 | -42.2 | 172.3 | -89.7 | 155 | 0 | 0 | 0 | 111.8 | A93 S94 K100 Q101 | A93-L97 WeakPolarHBondContact O-CB 3.42Å; A93-L97 WeakPolarHBondContact O-CD1 3.45Å; A93-L97 WeakPolarHBondContact O-CG 3.43Å; A93-L97 PolarHBondContact O-N 3.25Å; S94-L97 PolarHBondContact O-N 3.05Å; L97-K100 PolarHBondContact O-N 3.03Å; L97-Q101 WeakPolarHBondContact O-CG 3.4Å; L97-Q101 PolarHBondContact O-N 2.9Å |
| 98 | N | 60.7 | Low | 62.6 | Low | 86 Ų | 86 | 97.1 Ų | 97.1 | 46% | 0.46 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.3 | -36 | 177 | -68.4 | -32.8 | 0 | 0 | 0 | 112.4 | S94 T95 L96 A102 | S94-N98 WeakPolarHBondContact O-CB 3.3Å; S94-N98 PolarHBondContact O-N 3.22Å; S94-N98 PolarHBondContact O-ND2 2.93Å; T95-N98 PolarHBondContact O-N 3.42Å; L96-N98 VanDerWaalsContact C-N 3.35Å; N98-A102 WeakPolarHBondContact O-CB 3.18Å; N98-A102 PolarHBondContact O-N 2.95Å |
| 99 | L | 63.2 | Low | 61.4 | Low | 102 Ų | 102 | 99.3 Ų | 99.3 | 53% | 0.534 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.2 | -45.1 | 173.8 | -79.4 | 162.4 | 0 | 0 | 0 | 111.6 | T95 L96 Q101 A102 E103 | T95-L99 PolarHBondContact O-N 2.74Å; L96-L99 HydrophobicContact CD2-CD1 4.22Å; L96-L99 PolarHBondContact O-N 2.9Å; L99-Q101 PolarHBondContact O-N 3.48Å; L99-A102 PolarHBondContact O-N 3.27Å; L99-A102 VanDerWaalsContact O-N 3.17Å; L99-E103 PolarHBondContact O-N 3.33Å |
| 100 | K | 61.8 | Low | 60.1 | Low | 123 Ų | 123 | 103 Ų | 103 | 54% | 0.535 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.1 | -42.4 | 177.4 | -177 | 157.8 | -179.6 | 166.9 | 0 | 112.5 | L96 L97 A102 E103 E104 | L96-K100 PolarHBondContact O-N 3.38Å; L96-K100 VanDerWaalsContact O-N 3.1Å; L97-K100 PolarHBondContact O-N 3.03Å; K100-A102 VanDerWaalsContact C-N 3.29Å; K100-A102 PolarHBondContact O-N 3.49Å; K100-E103 PolarHBondContact O-N 2.81Å; K100-E104 WeakPolarHBondContact CE-OE1 3.22Å; K100-E104 WeakPolarHBondContact CG-OE1 3.3Å; K100-E104 WeakPolarHBondContact O-CG 3.35Å; K100-E104 PolarHBondContact O-N 2.89Å |
| 101 | Q | 63.5 | Low | 59.5 | Low | 113 Ų | 113 | 102.1 Ų | 102.1 | 53% | 0.528 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.5 | -34.3 | 174.6 | -69.8 | 173.3 | 13.4 | 0 | 0 | 112.2 | L97 L99 A105 | L97-Q101 WeakPolarHBondContact O-CG 3.4Å; L97-Q101 PolarHBondContact O-N 2.9Å; L99-Q101 PolarHBondContact O-N 3.48Å; Q101-A105 WeakPolarHBondContact O-CB 3.48Å; Q101-A105 PolarHBondContact O-N 2.73Å |
| 102 | A | 61 | Low | 59.1 | Low | 43 Ų | 43 | 103.3 Ų | 103.3 | 36% | 0.355 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -73.1 | -29.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | N98 L99 K100 K106 | N98-A102 WeakPolarHBondContact O-CB 3.18Å; N98-A102 PolarHBondContact O-N 2.95Å; L99-A102 PolarHBondContact O-N 3.27Å; L99-A102 VanDerWaalsContact O-N 3.17Å; K100-A102 VanDerWaalsContact C-N 3.29Å; K100-A102 PolarHBondContact O-N 3.49Å; A102-K106 WeakPolarHBondContact O-CD 3.43Å; A102-K106 VanDerWaalsContact O-CG 3.3Å; A102-K106 WeakPolarHBondContact O-CG 3Å |
| 103 | E | 59.5 | Low | 59.5 | Low | 135 Ų | 135 | 103 Ų | 103 | 63% | 0.631 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -72.5 | -42.4 | 171.1 | -73.1 | -179.4 | 146.5 | 0 | 0 | 111.6 | L99 K100 A105 K106 T107 | L99-E103 PolarHBondContact O-N 3.33Å; K100-E103 PolarHBondContact O-N 2.81Å; E103-A105 VanDerWaalsContact C-N 3.29Å; E103-A105 PolarHBondContact O-N 2.68Å; E103-K106 PolarHBondContact O-N 3.02Å; E103-K106 VanDerWaalsContact O-N 3.16Å; E103-T107 WeakPolarHBondContact O-CG2 3.29Å; E103-T107 PolarHBondContact O-OG1 2.94Å |
| 104 | E | 58.8 | Low | 59.3 | Low | 120 Ų | 120 | 109.5 Ų | 109.5 | 56% | 0.561 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -64.6 | -33 | 176.6 | -72 | 170.8 | -174 | 0 | 0 | 111.9 | K100 K106 T107 | K100-E104 WeakPolarHBondContact CE-OE1 3.22Å; K100-E104 WeakPolarHBondContact CG-OE1 3.3Å; K100-E104 WeakPolarHBondContact O-CG 3.35Å; K100-E104 PolarHBondContact O-N 2.89Å; E104-K106 VanDerWaalsContact C-N 3.32Å; E104-K106 PolarHBondContact O-N 3.48Å; E104-T107 PolarHBondContact O-OG1 2.76Å |
| 105 | A | 58.8 | Low | 59.6 | Low | 84 Ų | 84 | 113.3 Ų | 113.3 | 69% | 0.694 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -13.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q101 E103 | Q101-A105 WeakPolarHBondContact O-CB 3.48Å; Q101-A105 PolarHBondContact O-N 2.73Å; E103-A105 VanDerWaalsContact C-N 3.29Å; E103-A105 PolarHBondContact O-N 2.68Å |
| 106 | K | 56.6 | Low | 59.3 | Low | 149 Ų | 149 | 114.6 Ų | 114.6 | 65% | 0.648 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.6 | -5.5 | -174.3 | -74.9 | 177.9 | -177.4 | -178.3 | 0 | 115 | A102 E103 E104 T110 | A102-K106 WeakPolarHBondContact O-CD 3.43Å; A102-K106 VanDerWaalsContact O-CG 3.3Å; A102-K106 WeakPolarHBondContact O-CG 3Å; E103-K106 PolarHBondContact O-N 3.02Å; E103-K106 VanDerWaalsContact O-N 3.16Å; E104-K106 VanDerWaalsContact C-N 3.32Å; E104-K106 PolarHBondContact O-N 3.48Å; K106-T110 PolarHBondContact O-OG1 3.21Å |
| 107 | T | 56.1 | Low | 59.4 | Low | 112 Ų | 112 | 114.1 Ų | 114.1 | 69% | 0.687 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | 7.1 | -168.3 | 41 | 0 | 0 | 0 | 0 | 116.1 | E103 E104 | E103-T107 WeakPolarHBondContact O-CG2 3.29Å; E103-T107 PolarHBondContact O-OG1 2.94Å; E104-T107 PolarHBondContact O-OG1 2.76Å |
| 108 | A | 53.5 | Low | 59.4 | Low | 97 Ų | 97 | 117.8 Ų | 117.8 | 80% | 0.802 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | -28.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 109 | D | 55.2 | Low | 59.5 | Low | 161 Ų | 161 | 120.1 Ų | 120.1 | 86% | 0.861 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.8 | -0.9 | -161.8 | -146.6 | 33.8 | 0 | 0 | 0 | 115.5 | ||
| 110 | T | 53.6 | Low | 59.4 | Low | 113 Ų | 113 | 119.8 Ų | 119.8 | 69% | 0.693 | 67% | 0.674 | S | S | * | * | trans | -120.4 | 0.5 | 179 | 47.2 | 0 | 0 | 0 | 0 | 114.6 | K106 I112 | K106-T110 PolarHBondContact O-OG1 3.21Å; T110-I112 PolarHBondContact O-N 3.4Å | ||
| 111 | A | 59.6 | Low | 59.5 | Low | 82 Ų | 82 | 119.8 Ų | 119.8 | 68% | 0.678 | 69% | 0.687 | S | S | * | * | trans | -71.8 | 101.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | P113 | A111-P113 VanDerWaalsContact O-CD 3.29Å; A111-P113 WeakPolarHBondContact O-CD 3.38Å | ||
| 112 | I | 59.6 | Low | 59.7 | Low | 157 Ų | 157 | 125.3 Ų | 125.3 | 81% | 0.805 | 70% | 0.703 | S | S | * | * | trans | -67.2 | 119.7 | 169.6 | -59.4 | 175.6 | 0 | 0 | 0 | 107 | T110 F114 | T110-I112 PolarHBondContact O-N 3.4Å; I112-F114 PolarHBondContact O-N 3.24Å | ||
| 113 | P | 66.7 | Low | 59.8 | Low | 92 Ų | 92 | 126.8 Ų | 126.8 | 60% | 0.597 | 71% | 0.709 | S | S | * | * | trans | -59.6 | 124.8 | 176.5 | -21.8 | 33.3 | 0 | 0 | 0 | 110.1 | A111 H115 | A111-P113 VanDerWaalsContact O-CD 3.29Å; A111-P113 WeakPolarHBondContact O-CD 3.38Å; P113-H115 PolarHBondContact O-N 2.91Å | ||
| 114 | F | 54.9 | Low | 60 | Low | 181 Ų | 181 | 125.4 Ų | 125.4 | 79% | 0.794 | 71% | 0.71 | S | S | * | * | trans | -74.2 | 113.5 | 171 | 176.5 | -101.9 | 0 | 0 | 0 | 108.9 | I112 | I112-F114 PolarHBondContact O-N 3.24Š| ||
| 115 | H | 63.9 | Low | 60.1 | Low | 140 Ų | 140 | 128.4 Ų | 128.4 | 65% | 0.648 | 72% | 0.721 | S | S | * | * | trans | -100.1 | 114.9 | 166.6 | -64.4 | -75.7 | 0 | 0 | 0 | 107.6 | P113 T117 | P113-H115 PolarHBondContact O-N 2.91Å; H115-T117 VanDerWaalsContact C-N 3.34Å; H115-T117 PolarHBondContact O-N 2.8Å; H115-T117 PolarHBondContact O-OG1 2.92Å | ||
| 116 | S | 56.6 | Low | 60.2 | Low | 105 Ų | 105 | 131.4 Ų | 131.4 | 73% | 0.734 | 73% | 0.726 | S | S | * | * | trans | -59.9 | 99.1 | 172 | 34.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 117 | T | 63.1 | Low | 60.8 | Low | 100 Ų | 100 | 126 Ų | 126 | 61% | 0.613 | 71% | 0.706 | S | S | * | * | trans | -113.9 | 132.7 | 169.7 | 38.2 | 0 | 0 | 0 | 0 | 106.1 | H115 D119 | H115-T117 VanDerWaalsContact C-N 3.34Å; H115-T117 PolarHBondContact O-N 2.8Å; H115-T117 PolarHBondContact O-OG1 2.92Å; T117-D119 PolarHBondContact O-N 3.35Å | ||
| 118 | D | 60.3 | Low | 61.1 | Low | 179 Ų | 179 | 126.3 Ų | 126.3 | 96% | 0.957 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -67.2 | -14.5 | -173.5 | -73.6 | -67 | 0 | 0 | 0 | 113.7 | ||
| 119 | D | 63.5 | Low | 61.6 | Low | 134 Ų | 134 | 128 Ų | 128 | 72% | 0.717 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -121.5 | 113.4 | -179.3 | -157.1 | 12.8 | 0 | 0 | 0 | 110.3 | T117 | T117-D119 PolarHBondContact O-N 3.35Š|
| 120 | P | 60.4 | Low | 61.8 | Low | 96 Ų | 96 | 122.5 Ų | 122.5 | 62% | 0.623 | 67% | 0.673 | S | S | * | * | trans | -61.7 | 140.7 | 179.7 | 23.8 | -31.9 | 0 | 0 | 0 | 110.2 | R122 | P120-R122 PolarHBondContact O-N 3.29Š| ||
| 121 | P | 64.7 | Low | 62.2 | Low | 123 Ų | 123 | 126.7 Ų | 126.7 | 80% | 0.799 | 68% | 0.676 | S | S | * | * | trans | -60 | 106.1 | -176.4 | 23.2 | -32.3 | 0 | 0 | 0 | 110.1 | ||||
| 122 | R | 67.3 | Low | 62.2 | Low | 229 Ų | 229 | 129.9 Ų | 129.9 | 86% | 0.864 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 128.4 | 171.8 | -179.8 | -179.5 | -87.2 | -129.4 | -1.4 | 107.8 | P120 T124 | P120-R122 PolarHBondContact O-N 3.29Å; R122-T124 PolarHBondContact O-N 3.31Å |
| 123 | P | 63.8 | Low | 62 | Low | 74 Ų | 74 | 133.7 Ų | 133.7 | 48% | 0.481 | 70% | 0.698 | S | S | . | * | P | Polyproline II helix | trans | -52.5 | 134.7 | 172.8 | -24.4 | 33 | 0 | 0 | 0 | 110 | ||
| 124 | T | 64.1 | Low | 61.8 | Low | 106 Ų | 106 | 135.8 Ų | 135.8 | 65% | 0.65 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 143.8 | 173.7 | 51.2 | 0 | 0 | 0 | 0 | 109 | R122 D126 S127 S130 | R122-T124 PolarHBondContact O-N 3.31Å; T124-D126 PolarHBondContact O-N 2.88Å; T124-S127 VanDerWaalsContact O-CB 3.25Å; T124-S127 WeakPolarHBondContact O-CB 3.44Å; T124-S127 PolarHBondContact O-N 3.23Å; T124-S130 PolarHBondContact O-OG 3.05Å |
| 125 | F | 59.1 | Low | 62.1 | Low | 182 Ų | 182 | 133.4 Ų | 133.4 | 80% | 0.798 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.7 | -28.8 | -172 | -177.4 | -100.3 | 0 | 0 | 0 | 113.3 | S130 | F125-S130 PolarHBondContact O-OG 2.88Š|
| 126 | D | 61.3 | Low | 62 | Low | 147 Ų | 147 | 133 Ų | 133 | 79% | 0.786 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | 8.8 | -179.5 | -55.4 | -55.7 | 0 | 0 | 0 | 114.7 | T124 | T124-D126 PolarHBondContact O-N 2.88Š|
| 127 | S | 70.6 | Confident | 62.4 | Low | 35 Ų | 35 | 134.6 Ų | 134.6 | 25% | 0.245 | 70% | 0.7 | C | S | . | * | S | Bend | trans | -66.6 | 149.5 | 176.6 | -178 | 0 | 0 | 0 | 0 | 111.6 | T124 L129 S130 | T124-S127 VanDerWaalsContact O-CB 3.25Å; T124-S127 WeakPolarHBondContact O-CB 3.44Å; T124-S127 PolarHBondContact O-N 3.23Å; S127-L129 PolarHBondContact O-N 2.94Å; S127-L129 PolarHBondContact OG-N 3.13Å; S127-S130 PolarHBondContact N-OG 2.81Å; S127-S130 PolarHBondContact O-N 3.37Å; S127-S130 VanDerWaalsContact O-N 3.13Å; S127-S130 PolarHBondContact O-OG 3.06Å |
| 128 | L | 61.7 | Low | 62.3 | Low | 120 Ų | 120 | 136.8 Ų | 136.8 | 63% | 0.628 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -57.3 | -33.1 | 172.3 | -69.6 | 173.3 | 0 | 0 | 0 | 111.5 | S130 R131 | L128-S130 VanDerWaalsContact C-N 3.34Å; L128-S130 PolarHBondContact O-N 3.49Å; L128-R131 PolarHBondContact O-N 3.09Å |
| 129 | L | 63.1 | Low | 62.5 | Low | 131 Ų | 131 | 134 Ų | 134 | 69% | 0.686 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -68.4 | -25.7 | 178.7 | -72.7 | 168.2 | 0 | 0 | 0 | 114.2 | S127 | S127-L129 PolarHBondContact O-N 2.94Å; S127-L129 PolarHBondContact OG-N 3.13Å |
| 130 | S | 60.2 | Low | 62.4 | Low | 47 Ų | 47 | 134 Ų | 134 | 33% | 0.329 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -83.4 | -16 | 176.3 | 46 | 0 | 0 | 0 | 0 | 112.8 | T124 F125 S127 L128 | T124-S130 PolarHBondContact O-OG 3.05Å; F125-S130 PolarHBondContact O-OG 2.88Å; S127-S130 PolarHBondContact N-OG 2.81Å; S127-S130 PolarHBondContact O-N 3.37Å; S127-S130 VanDerWaalsContact O-N 3.13Å; S127-S130 PolarHBondContact O-OG 3.06Å; L128-S130 VanDerWaalsContact C-N 3.34Å; L128-S130 PolarHBondContact O-N 3.49Å |
| 131 | R | 63 | Low | 62.5 | Low | 201 Ų | 201 | 136.9 Ų | 136.9 | 76% | 0.758 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -90 | -14.1 | -176.9 | -138.4 | 170.5 | 65.1 | -173.3 | 0.6 | 113.7 | L128 | L128-R131 PolarHBondContact O-N 3.09Å |
| 132 | D | 58.5 | Low | 62.4 | Low | 148 Ų | 148 | 138.1 Ų | 138.1 | 79% | 0.791 | 68% | 0.682 | S | S | * | * | trans | -99.1 | 13.3 | -179.7 | -80.9 | -46.5 | 0 | 0 | 0 | 113.6 | ||||
| 133 | M | 55.7 | Low | 61.9 | Low | 237 Ų | 237 | 129.8 Ų | 129.8 | 100% | 1.167 | 67% | 0.665 | S | S | * | * | trans | -109.2 | 0 | 173.7 | -76.2 | -85.9 | -174.4 | 0 | 0 | 111.9 |
Retrieved 133 of 133 residues in 67.5 ms
(Link to these results)