| 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 | 34.6 | Very low | 53.4 | Low | 229 Ų | 229 | 103.4 Ų | 103.4 | 100% | 1.128 | 49% | 0.488 | S | S | * | . | 0 | 120 | 0 | -167.5 | 176.6 | -90.6 | 0 | 0 | 104.3 | D3 | M1-D3 PolarHBondContact O-N 3.42Š| |||
| 2 | Y | 32.8 | Very low | 56.6 | Low | 217 Ų | 217 | 95.5 Ų | 95.5 | 85% | 0.851 | 45% | 0.452 | S | S | * | . | trans | -63.5 | 111 | -170.5 | -72.6 | -89.1 | 0 | 0 | 0 | 109.4 | F4 | Y2-F4 PolarHBondContact O-N 3.28Š| ||
| 3 | D | 31 | Very low | 59.4 | Low | 122 Ų | 122 | 89.4 Ų | 89.4 | 65% | 0.652 | 42% | 0.423 | S | S | * | . | trans | -68.2 | 98.5 | 176.6 | -71.1 | -41.4 | 0 | 0 | 0 | 109 | M1 Y5 | M1-D3 PolarHBondContact O-N 3.42Å; D3-Y5 HydrophobicContact CB-CD2 3.52Å; D3-Y5 HydrophobicContact CB-CE2 3.41Å; D3-Y5 VanDerWaalsContact CB-CE2 3.41Å; D3-Y5 PolarHBondContact O-N 3.21Å | ||
| 4 | F | 35.9 | Very low | 61.8 | Low | 192 Ų | 192 | 83.1 Ų | 83.1 | 84% | 0.842 | 39% | 0.393 | S | S | * | . | trans | -73.9 | 73.4 | 164.1 | -83.2 | -91.6 | 0 | 0 | 0 | 108.4 | Y2 S6 | Y2-F4 PolarHBondContact O-N 3.28Å; F4-S6 PolarHBondContact O-N 3.37Å | ||
| 5 | Y | 43 | Very low | 63.9 | Low | 163 Ų | 163 | 77.7 Ų | 77.7 | 64% | 0.639 | 37% | 0.368 | S | S | * | . | trans | -67.1 | 80.4 | 156.1 | -70.2 | -79.6 | 0 | 0 | 0 | 106.8 | D3 C7 | D3-Y5 HydrophobicContact CB-CD2 3.52Å; D3-Y5 HydrophobicContact CB-CE2 3.41Å; D3-Y5 VanDerWaalsContact CB-CE2 3.41Å; D3-Y5 PolarHBondContact O-N 3.21Å; Y5-C7 VanDerWaalsContact C-N 3.31Å; Y5-C7 PolarHBondContact O-N 3.4Å | ||
| 6 | S | 46.8 | Very low | 65.7 | Low | 56 Ų | 56 | 76.6 Ų | 76.6 | 39% | 0.392 | 37% | 0.372 | S | S | . | . | trans | -61.1 | 98.7 | 175.1 | -176.6 | 0 | 0 | 0 | 0 | 107.6 | F4 P8 S59 Y61 | F4-S6 PolarHBondContact O-N 3.37Å; S6-P8 VanDerWaalsContact O-CD 3.29Å; S6-P8 WeakPolarHBondContact O-CD 3.21Å; S6-S59 WeakPolarHBondContact OG-CB 3.47Å; S6-Y61 WeakPolarHBondContact O-CD1 3.43Å; S6-Y61 VanDerWaalsContact O-CE1 3.31Å; S6-Y61 WeakPolarHBondContact O-CE1 3.45Å | ||
| 7 | C | 54.4 | Low | 67.2 | Low | 41 Ų | 41 | 76.4 Ų | 76.4 | 28% | 0.277 | 37% | 0.369 | S | S | . | . | trans | -77.1 | 114.7 | -176.6 | -157.7 | 0 | 0 | 0 | 0 | 106.5 | Y5 V9 T30 L31 S59 Y61 | Y5-C7 VanDerWaalsContact C-N 3.31Å; Y5-C7 PolarHBondContact O-N 3.4Å; C7-V9 PolarHBondContact O-N 3.1Å; C7-T30 HydrophobicContact CB-CG2 3.24Å; C7-T30 WeakPolarHBondContact O-CG2 3.34Å; C7-T30 WeakPolarHBondContact SG-CG2 3.28Å; C7-L31 PolarHBondContact SG-O 3.21Å; C7-S59 PolarHBondContact O-OG 2.96Å; C7-Y61 WeakPolarHBondContact CA-OH 3.29Å; C7-Y61 PolarHBondContact SG-OH 2.9Å | ||
| 8 | P | 71.2 | Confident | 68.6 | Low | 12 Ų | 12 | 78.9 Ų | 78.9 | 8% | 0.078 | 39% | 0.39 | C | S | . | . | trans | -55.4 | 110.9 | -173.1 | 10.4 | -21.6 | 0 | 0 | 0 | 110.2 | S6 L31 S59 Y61 | S6-P8 VanDerWaalsContact O-CD 3.29Å; S6-P8 WeakPolarHBondContact O-CD 3.21Å; P8-L31 VanDerWaalsContact CD-O 3.24Å; P8-L31 WeakPolarHBondContact CD-O 3.48Å; P8-L31 HydrophobicContact CG-CB 4.14Å; P8-L31 PolarHBondContact O-N 3.04Å; P8-S59 WeakPolarHBondContact CA-O 3.14Å; P8-S59 VanDerWaalsContact CA-OG 3.28Å; P8-S59 WeakPolarHBondContact CA-OG 3.11Å; P8-S59 VanDerWaalsContact CB-O 3.29Å; P8-S59 WeakPolarHBondContact CB-O 3.19Å; P8-Y61 VanDerWaalsContact CD-CD2 3.49Å; P8-Y61 WeakPolarHBondContact CD-OH 3.45Å; P8-Y61 HydrophobicContact CG-CD2 3.59Å; P8-Y61 HydrophobicContact CG-CE2 3.31Å | ||
| 9 | V | 67.5 | Low | 69.8 | Low | 26 Ų | 26 | 82.1 Ų | 82.1 | 16% | 0.158 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 120.8 | 173.4 | -173.5 | 0 | 0 | 0 | 0 | 107.7 | C7 E28 T30 L58 S59 | C7-V9 PolarHBondContact O-N 3.1Å; V9-E28 HydrophobicContact CG1-CG 3.54Å; V9-T30 HydrophobicContact CG2-CG2 4.08Å; V9-L58 HydrophobicContact CB-CB 4.18Å; V9-L58 HydrophobicContact CB-CD1 4.1Å; V9-L58 HydrophobicContact CB-CG 4.48Å; V9-L58 HydrophobicContact CG1-CD1 3.79Å; V9-L58 WeakPolarHBondContact O-CB 3.26Å; V9-L58 PolarHBondContact O-N 3.37Å; V9-S59 PolarHBondContact N-OG 2.88Å |
| 10 | K | 80.2 | Confident | 71 | Confident | 51 Ų | 51 | 82.6 Ų | 82.6 | 22% | 0.222 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 129.7 | 172.2 | -65.7 | -175.2 | -179.5 | 170.4 | 0 | 108.8 | E28 K29 L31 K56 | K10-E28 WeakPolarHBondContact O-CA 3.34Å; K10-K29 PolarHBondContact N-O 3.32Å; K10-K29 PolarHBondContact O-N 2.65Å; K10-L31 HydrophobicContact CD-CD1 3.68Å; K10-L31 VanDerWaalsContact CE-CD1 3.45Å; K10-L31 HydrophobicContact CG-CD1 4.43Å; K10-L31 VanDerWaalsContact NZ-CD1 3.26Å; K10-K56 WeakPolarHBondContact CA-O 3.3Å |
| 11 | Q | 90.4 | Very high | 72 | Confident | 28 Ų | 28 | 81.9 Ų | 81.9 | 13% | 0.131 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 136.2 | 169.6 | -71.7 | 178.6 | -16.2 | 0 | 0 | 109.2 | L25 F27 E28 K56 L58 | Q11-L25 HydrophobicContact CB-CD1 3.67Å; Q11-L25 HydrophobicContact CG-CD1 3.72Å; Q11-F27 CarbonylContact C-O 3.51Å; Q11-F27 VanDerWaalsContact CA-O 3.23Å; Q11-F27 WeakPolarHBondContact CA-O 3.08Å; Q11-E28 HydrophobicContact CG-CB 4.19Å; Q11-E28 HydrophobicContact CG-CG 3.96Å; Q11-E28 PolarHBondContact NE2-OE2 3.29Å; Q11-K56 HydrophobicContact CB-CB 4.09Å; Q11-K56 PolarHBondContact N-O 2.86Å; Q11-K56 PolarHBondContact O-N 2.91Å; Q11-L58 HydrophobicContact CG-CD1 3.95Å; Q11-L58 HydrophobicContact CG-CG 4.45Å |
| 12 | V | 90.9 | Very high | 74.9 | Confident | 9 Ų | 9 | 76 Ų | 76 | 6% | 0.055 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 120.1 | 166.6 | 178.4 | 0 | 0 | 0 | 0 | 107.5 | K26 F27 L43 I45 I53 L55 | V12-K26 PolarHBondContact O-N 2.84Å; V12-F27 HydrophobicContact CB-CB 4.3Å; V12-F27 PolarHBondContact N-O 3.19Å; V12-F27 PolarHBondContact O-N 2.92Å; V12-F27 VanDerWaalsContact O-N 3.1Å; V12-L43 HydrophobicContact CB-CD1 4.4Å; V12-L43 HydrophobicContact CG2-CD1 3.42Å; V12-L43 VanDerWaalsContact CG2-CD1 3.42Å; V12-I45 HydrophobicContact CG1-CD1 3.74Å; V12-I53 HydrophobicContact CG1-CG2 3.97Å; V12-L55 HydrophobicContact CG2-CD1 3.72Å |
| 13 | E | 93.5 | Very high | 77.8 | Confident | 16 Ų | 16 | 67.7 Ų | 67.7 | 8% | 0.075 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 151 | 176.6 | -57.1 | 159.4 | 130.1 | 0 | 0 | 109.3 | F23 E24 L25 R54 K56 | E13-F23 HydrophobicContact CB-CB 4Å; E13-F23 HydrophobicContact CB-CD1 4.27Å; E13-E24 CarbonylContact C-O 3.55Å; E13-E24 WeakPolarHBondContact CA-O 2.82Å; E13-E24 WeakPolarHBondContact CB-O 3.04Å; E13-L25 HydrophobicContact CG-CB 4.28Å; E13-L25 HydrophobicContact CG-CD1 3.79Å; E13-R54 HydrophobicContact CB-CB 4.45Å; E13-R54 PolarHBondContact N-O 2.8Å; E13-R54 PolarHBondContact O-N 2.87Å; E13-R54 IonicContact OE1-NH2 3.06Å; E13-R54 PolarHBondContact OE1-NH2 2.78Å; E13-R54 IonicContact OE2-CZ 2.62Å; E13-R54 IonicContact OE2-NE 2.78Å; E13-R54 PolarHBondContact OE2-NE 2.85Å; E13-R54 IonicContact OE2-NH2 3.05Å; E13-R54 PolarHBondContact OE2-NH2 3.16Å; E13-K56 IonicContact OE1-NZ 3.1Å; E13-K56 PolarHBondContact OE1-NZ 2.84Å; E13-K56 VanDerWaalsContact OE2-CD 3.26Å; E13-K56 WeakPolarHBondContact OE2-CD 3.41Å; E13-K56 WeakPolarHBondContact OE2-CE 3.29Å; E13-K56 IonicContact OE2-NZ 2.7Å; E13-K56 PolarHBondContact OE2-NZ 3.16Å; E13-K56 VanDerWaalsContact OE2-NZ 3.1Å |
| 14 | T | 93.2 | Very high | 80.8 | Confident | 1 Ų | 1 | 66.9 Ų | 66.9 | 1% | 0.006 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 153.8 | -177.3 | 63.9 | 0 | 0 | 0 | 0 | 111.2 | F23 E24 K26 I45 L50 H52 I53 | T14-F23 CarbonylContact O-C 3.45Å; T14-F23 VanDerWaalsContact O-CA 3.29Å; T14-F23 WeakPolarHBondContact O-CA 3.35Å; T14-E24 PolarHBondContact N-O 2.76Å; T14-E24 PolarHBondContact O-N 2.96Å; T14-K26 HydrophobicContact CG2-CG 3.67Å; T14-K26 WeakPolarHBondContact OG1-CE 3.26Å; T14-K26 VanDerWaalsContact OG1-CG 3.3Å; T14-K26 WeakPolarHBondContact OG1-CG 3.06Å; T14-I45 HydrophobicContact CG2-CD1 4Å; T14-I45 HydrophobicContact CG2-CG2 3.93Å; T14-L50 HydrophobicContact CG2-CD1 3.34Å; T14-H52 CarbonylContact C-O 3.52Å; T14-H52 WeakPolarHBondContact CA-O 3.33Å; T14-I53 HydrophobicContact CG2-CG1 4.41Å |
| 15 | S | 93.7 | Very high | 83.5 | Confident | 2 Ų | 2 | 61.9 Ų | 61.9 | 1% | 0.014 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 136.8 | 171.1 | 174.2 | 0 | 0 | 0 | 0 | 110.3 | H17 D21 H51 H52 | S15-H17 WeakPolarHBondContact OG-CB 3.5Å; S15-H17 PolarHBondContact OG-N 3.43Å; S15-H17 VanDerWaalsContact OG-N 3.11Å; S15-D21 WeakPolarHBondContact CB-O 3.5Å; S15-D21 PolarHBondContact OG-O 3.08Å; S15-H51 PolarHBondContact O-N 2.84Å; S15-H52 PolarHBondContact N-O 3.36Å; S15-H52 PolarHBondContact O-N 2.83Å |
| 16 | S | 92 | Very high | 85.8 | Confident | 61 Ų | 61 | 57.6 Ų | 57.6 | 43% | 0.427 | 31% | 0.309 | S | S | . | . | trans | -95.3 | 2.2 | 172.5 | 54.3 | 0 | 0 | 0 | 0 | 112.6 | H49 H51 | S16-H49 WeakPolarHBondContact CA-O 3.5Å; S16-H49 WeakPolarHBondContact CB-O 3.36Å; S16-H51 PolarHBondContact O-CD2 2.8Å | ||
| 17 | H | 92 | Very high | 87.9 | Confident | 72 Ų | 72 | 57.9 Ų | 57.9 | 33% | 0.333 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -79.6 | 154.8 | 177.6 | -71 | -163.6 | 0 | 0 | 0 | 110.9 | S15 K19 D21 N22 H51 H52 | S15-H17 WeakPolarHBondContact OG-CB 3.5Å; S15-H17 PolarHBondContact OG-N 3.43Å; S15-H17 VanDerWaalsContact OG-N 3.11Å; H17-K19 WeakPolarHBondContact CB-O 3.44Å; H17-K19 PolarHBondContact O-N 3.11Å; H17-D21 WeakPolarHBondContact CB-OD1 3.49Å; H17-D21 IonicContact CE1-OD1 3.86Å; H17-D21 IonicContact CG-OD1 3.43Å; H17-D21 IonicContact ND1-OD1 2.76Å; H17-D21 PolarHBondContact ND1-OD1 3.11Å; H17-N22 WeakPolarHBondContact CE1-CB 3.1Å; H17-N22 PolarHBondContact CE1-ND2 2.87Å; H17-N22 WeakPolarHBondContact ND1-CB 3.4Å; H17-N22 PolarHBondContact NE2-ND2 2.84Å; H17-N22 VanDerWaalsContact NE2-ND2 3.16Å; H17-H51 VanDerWaalsContact O-CB 3.26Å; H17-H51 WeakPolarHBondContact O-CB 3.26Å; H17-H52 PolarHBondContact O-CD2 3.2Å; H17-H52 PolarHBondContact O-NE2 3.37Å; H17-H52 VanDerWaalsContact O-NE2 3.11Å |
| 18 | T | 90.9 | Very high | 89.6 | Confident | 122 Ų | 122 | 61.3 Ų | 61.3 | 75% | 0.748 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -66.8 | -28 | 175.1 | 48.8 | 0 | 0 | 0 | 0 | 112.2 | H52 | T18-H52 PolarHBondContact O-NE2 2.93Å; T18-H52 VanDerWaalsContact O-NE2 3.08Å |
| 19 | K | 93.1 | Very high | 90.3 | Very high | 139 Ų | 139 | 65.5 Ų | 65.5 | 60% | 0.604 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -95.8 | 152.4 | 173 | -66.5 | -176.8 | -178.4 | 178.6 | 0 | 110.4 | H17 D21 H52 | H17-K19 WeakPolarHBondContact CB-O 3.44Å; H17-K19 PolarHBondContact O-N 3.11Å; K19-D21 WeakPolarHBondContact CB-OD2 3.23Å; K19-D21 PolarHBondContact O-N 2.61Å; K19-H52 PolarHBondContact O-CD2 3.4Å; K19-H52 PolarHBondContact O-NE2 3.08Å |
| 20 | P | 92.4 | Very high | 91.1 | Very high | 92 Ų | 92 | 67.9 Ų | 67.9 | 60% | 0.597 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -75.9 | 64.7 | 176.7 | 33.4 | -36.3 | 0 | 0 | 0 | 110.5 | F23 | P20-F23 VanDerWaalsContact C-CE2 3.46Å; P20-F23 HydrophobicContact CB-CE2 4.31Å; P20-F23 HydrophobicContact CB-CZ 4.11Å; P20-F23 VanDerWaalsContact O-CE2 3.28Å; P20-F23 WeakPolarHBondContact O-CE2 3.31Å |
| 21 | D | 93.5 | Very high | 91.1 | Very high | 68 Ų | 68 | 66 Ų | 66 | 36% | 0.364 | 34% | 0.34 | S | S | . | . | trans | -132.3 | 178.7 | 176.6 | 62.4 | 33.9 | 0 | 0 | 0 | 110.7 | S15 H17 K19 F23 | S15-D21 WeakPolarHBondContact CB-O 3.5Å; S15-D21 PolarHBondContact OG-O 3.08Å; H17-D21 WeakPolarHBondContact CB-OD1 3.49Å; H17-D21 IonicContact CE1-OD1 3.86Å; H17-D21 IonicContact CG-OD1 3.43Å; H17-D21 IonicContact ND1-OD1 2.76Å; H17-D21 PolarHBondContact ND1-OD1 3.11Å; K19-D21 WeakPolarHBondContact CB-OD2 3.23Å; K19-D21 PolarHBondContact O-N 2.61Å; D21-F23 VanDerWaalsContact C-N 3.31Å; D21-F23 PolarHBondContact O-N 3.43Å | ||
| 22 | N | 93.8 | Very high | 90.7 | Very high | 105 Ų | 105 | 68.7 Ų | 68.7 | 56% | 0.561 | 36% | 0.361 | S | S | * | . | S | Bend | trans | 49.8 | 46.4 | 176.2 | -154.3 | 36.1 | 0 | 0 | 0 | 114.7 | H17 | H17-N22 WeakPolarHBondContact CE1-CB 3.1Å; H17-N22 PolarHBondContact CE1-ND2 2.87Å; H17-N22 WeakPolarHBondContact ND1-CB 3.4Å; H17-N22 PolarHBondContact NE2-ND2 2.84Å; H17-N22 VanDerWaalsContact NE2-ND2 3.16Å |
| 23 | F | 94.2 | Very high | 90.1 | Very high | 44 Ų | 44 | 71.9 Ų | 71.9 | 19% | 0.193 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 131.8 | -179.9 | -74.9 | -85.6 | 0 | 0 | 0 | 111.9 | E13 T14 P20 D21 H52 R54 | E13-F23 HydrophobicContact CB-CB 4Å; E13-F23 HydrophobicContact CB-CD1 4.27Å; T14-F23 CarbonylContact O-C 3.45Å; T14-F23 VanDerWaalsContact O-CA 3.29Å; T14-F23 WeakPolarHBondContact O-CA 3.35Å; P20-F23 VanDerWaalsContact C-CE2 3.46Å; P20-F23 HydrophobicContact CB-CE2 4.31Å; P20-F23 HydrophobicContact CB-CZ 4.11Å; P20-F23 VanDerWaalsContact O-CE2 3.28Å; P20-F23 WeakPolarHBondContact O-CE2 3.31Å; D21-F23 VanDerWaalsContact C-N 3.31Å; D21-F23 PolarHBondContact O-N 3.43Å; F23-H52 HydrophobicContact CE1-CB 3.82Å; F23-H52 HydrophobicContact CZ-CB 3.98Å; F23-R54 VanDerWaalsContact CB-NH2 3.34Å; F23-R54 HydrophobicContact CD1-CB 3.76Å; F23-R54 VanDerWaalsContact CD2-CZ 3.48Å; F23-R54 VanDerWaalsContact CD2-NH1 3.27Å; F23-R54 HydrophobicContact CE1-CB 3.56Å; F23-R54 HydrophobicContact CG-CB 4.44Å; F23-R54 HydrophobicContact CZ-CB 4.07Å |
| 24 | E | 93.4 | Very high | 89.4 | Confident | 105 Ų | 105 | 72.6 Ų | 72.6 | 49% | 0.491 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 135.2 | 173.1 | -63.7 | -175.9 | 170.2 | 0 | 0 | 110.8 | E13 T14 K26 | E13-E24 CarbonylContact C-O 3.55Å; E13-E24 WeakPolarHBondContact CA-O 2.82Å; E13-E24 WeakPolarHBondContact CB-O 3.04Å; T14-E24 PolarHBondContact N-O 2.76Å; T14-E24 PolarHBondContact O-N 2.96Å; E24-K26 PolarHBondContact O-N 3.1Å; E24-K26 IonicContact OE2-NZ 2.86Å; E24-K26 PolarHBondContact OE2-NZ 2.7Å |
| 25 | L | 92.9 | Very high | 88.8 | Confident | 86 Ų | 86 | 79.9 Ų | 79.9 | 45% | 0.45 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 122.3 | 174 | -175.8 | 67.5 | 0 | 0 | 0 | 110.6 | Q11 E13 F27 E28 | Q11-L25 HydrophobicContact CB-CD1 3.67Å; Q11-L25 HydrophobicContact CG-CD1 3.72Å; E13-L25 HydrophobicContact CG-CB 4.28Å; E13-L25 HydrophobicContact CG-CD1 3.79Å; L25-F27 VanDerWaalsContact CD1-O 3.31Å; L25-F27 WeakPolarHBondContact CD1-O 3.38Å; L25-E28 HydrophobicContact CD2-CB 4.46Å |
| 26 | K | 91.7 | Very high | 88 | Confident | 73 Ų | 73 | 83.6 Ų | 83.6 | 32% | 0.317 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | -37.5 | 175.4 | -60.6 | -57.4 | -177.2 | 177.1 | 0 | 112.4 | V12 T14 E24 D47 | V12-K26 PolarHBondContact O-N 2.84Å; T14-K26 HydrophobicContact CG2-CG 3.67Å; T14-K26 WeakPolarHBondContact OG1-CE 3.26Å; T14-K26 VanDerWaalsContact OG1-CG 3.3Å; T14-K26 WeakPolarHBondContact OG1-CG 3.06Å; E24-K26 PolarHBondContact O-N 3.1Å; E24-K26 IonicContact OE2-NZ 2.86Å; E24-K26 PolarHBondContact OE2-NZ 2.7Å; K26-D47 WeakPolarHBondContact CE-OD2 3.36Å; K26-D47 IonicContact NZ-OD2 2.91Å; K26-D47 PolarHBondContact NZ-OD2 2.62Å |
| 27 | F | 90.4 | Very high | 87.4 | Confident | 63 Ų | 63 | 87.7 Ų | 87.7 | 28% | 0.276 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 138.7 | 176.4 | -71.8 | -86 | 0 | 0 | 0 | 111.1 | Q11 V12 L25 L43 P44 I45 | Q11-F27 CarbonylContact C-O 3.51Å; Q11-F27 VanDerWaalsContact CA-O 3.23Å; Q11-F27 WeakPolarHBondContact CA-O 3.08Å; V12-F27 HydrophobicContact CB-CB 4.3Å; V12-F27 PolarHBondContact N-O 3.19Å; V12-F27 PolarHBondContact O-N 2.92Å; V12-F27 VanDerWaalsContact O-N 3.1Å; L25-F27 VanDerWaalsContact CD1-O 3.31Å; L25-F27 WeakPolarHBondContact CD1-O 3.38Å; F27-L43 HydrophobicContact CB-CD2 4.18Å; F27-L43 HydrophobicContact CD1-CD2 3.89Å; F27-L43 HydrophobicContact CD2-CB 4.13Å; F27-L43 HydrophobicContact CE1-CD2 4.44Å; F27-L43 HydrophobicContact CE2-CB 4.32Å; F27-L43 HydrophobicContact CG-CB 4.39Å; F27-L43 HydrophobicContact CG-CD2 3.93Å; F27-P44 WeakPolarHBondContact CE2-O 3.29Å; F27-P44 HydrophobicContact CZ-CG 4.15Å; F27-P44 WeakPolarHBondContact CZ-O 3.28Å; F27-I45 HydrophobicContact CE2-CG1 4.27Å |
| 28 | E | 91.4 | Very high | 86.9 | Confident | 113 Ų | 113 | 89.9 Ų | 89.9 | 53% | 0.528 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 123.8 | 158.8 | -175.9 | 170.5 | 119.6 | 0 | 0 | 107.2 | V9 K10 Q11 L25 | V9-E28 HydrophobicContact CG1-CG 3.54Å; K10-E28 WeakPolarHBondContact O-CA 3.34Å; Q11-E28 HydrophobicContact CG-CB 4.19Å; Q11-E28 HydrophobicContact CG-CG 3.96Å; Q11-E28 PolarHBondContact NE2-OE2 3.29Å; L25-E28 HydrophobicContact CD2-CB 4.46Å |
| 29 | K | 85.6 | Confident | 86.5 | Confident | 99 Ų | 99 | 87 Ų | 87 | 43% | 0.43 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 129.2 | -179.6 | -168.6 | 163.3 | -177.8 | 172 | 0 | 110.6 | K10 L31 T41 L43 | K10-K29 PolarHBondContact N-O 3.32Å; K10-K29 PolarHBondContact O-N 2.65Å; K29-L31 HydrophobicContact CG-CD2 4.39Å; K29-T41 HydrophobicContact CD-CG2 3.9Å; K29-L43 HydrophobicContact CD-CD2 4.38Å |
| 30 | T | 84.3 | Confident | 86 | Confident | 76 Ų | 76 | 87.3 Ų | 87.3 | 47% | 0.466 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 123.5 | 172 | -41.1 | 0 | 0 | 0 | 0 | 108.3 | C7 V9 | C7-T30 HydrophobicContact CB-CG2 3.24Å; C7-T30 WeakPolarHBondContact O-CG2 3.34Å; C7-T30 WeakPolarHBondContact SG-CG2 3.28Å; V9-T30 HydrophobicContact CG2-CG2 4.08Å |
| 31 | L | 80.7 | Confident | 85.6 | Confident | 12 Ų | 12 | 85.2 Ų | 85.2 | 6% | 0.063 | 46% | 0.458 | C | S | . | . | P | Polyproline II helix | trans | -96.7 | 117.6 | 179.9 | -67.7 | -178.5 | 0 | 0 | 0 | 110.7 | C7 P8 K10 K29 T41 Y61 | C7-L31 PolarHBondContact SG-O 3.21Å; P8-L31 VanDerWaalsContact CD-O 3.24Å; P8-L31 WeakPolarHBondContact CD-O 3.48Å; P8-L31 HydrophobicContact CG-CB 4.14Å; P8-L31 PolarHBondContact O-N 3.04Å; K10-L31 HydrophobicContact CD-CD1 3.68Å; K10-L31 VanDerWaalsContact CE-CD1 3.45Å; K10-L31 HydrophobicContact CG-CD1 4.43Å; K10-L31 VanDerWaalsContact NZ-CD1 3.26Å; K29-L31 HydrophobicContact CG-CD2 4.39Å; L31-T41 HydrophobicContact CD2-CG2 4.48Å; L31-T41 WeakPolarHBondContact CD2-OG1 3.49Å; L31-Y61 PolarHBondContact O-OH 2.71Å |
| 32 | S | 80.4 | Confident | 85.2 | Confident | 84 Ų | 84 | 90.2 Ų | 90.2 | 59% | 0.587 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 151.9 | 173.2 | 40.3 | 0 | 0 | 0 | 0 | 111.5 | Q39 Y61 | S32-Q39 PolarHBondContact O-NE2 2.88Å; S32-Q39 PolarHBondContact O-OE1 2.78Å; S32-Y61 VanDerWaalsContact C-OH 3.31Å |
| 33 | D | 79 | Confident | 84.7 | Confident | 76 Ų | 76 | 87.6 Ų | 87.6 | 41% | 0.406 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -60 | 142.5 | 175.2 | -159 | -33.3 | 0 | 0 | 0 | 109.4 | D35 Y61 | D33-D35 PolarHBondContact OD1-N 2.96Å; D33-Y61 HydrophobicContact CB-CE1 3.94Å; D33-Y61 HydrophobicContact CB-CE2 4Å; D33-Y61 PolarHBondContact N-OH 2.71Å |
| 34 | S | 79.6 | Confident | 84.2 | Confident | 32 Ų | 32 | 89.7 Ų | 89.7 | 22% | 0.224 | 48% | 0.484 | C | S | . | . | trans | -117.8 | 15.7 | 178.3 | 55.4 | 0 | 0 | 0 | 0 | 112.8 | G36 Q37 Q39 | S34-G36 PolarHBondContact O-N 2.94Å; S34-Q37 WeakPolarHBondContact O-CB 3.22Å; S34-Q37 WeakPolarHBondContact O-CG 3.48Å; S34-Q37 PolarHBondContact O-N 2.84Å; S34-Q37 PolarHBondContact OG-O 3.03Å; S34-Q39 WeakPolarHBondContact OG-CG 3.24Å; S34-Q39 PolarHBondContact OG-NE2 2.89Å | ||
| 35 | D | 80.2 | Confident | 83.7 | Confident | 154 Ų | 154 | 87 Ų | 87 | 82% | 0.824 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 44 | -175.9 | -90.2 | -14 | 0 | 0 | 0 | 111.6 | D33 Q37 | D33-D35 PolarHBondContact OD1-N 2.96Å; D35-Q37 VanDerWaalsContact C-N 3.27Å; D35-Q37 PolarHBondContact O-N 2.9Å |
| 36 | G | 77.6 | Confident | 83.1 | Confident | 79 Ų | 79 | 90.7 Ų | 90.7 | 81% | 0.814 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | 2.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | S34 | S34-G36 PolarHBondContact O-N 2.94Š|
| 37 | Q | 79.4 | Confident | 82.4 | Confident | 147 Ų | 147 | 89.6 Ų | 89.6 | 69% | 0.687 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -73.7 | 147.6 | 173.7 | -61.9 | -177 | 40.6 | 0 | 0 | 111.8 | S34 D35 Q39 | S34-Q37 WeakPolarHBondContact O-CB 3.22Å; S34-Q37 WeakPolarHBondContact O-CG 3.48Å; S34-Q37 PolarHBondContact O-N 2.84Å; S34-Q37 PolarHBondContact OG-O 3.03Å; D35-Q37 VanDerWaalsContact C-N 3.27Å; D35-Q37 PolarHBondContact O-N 2.9Å; Q37-Q39 PolarHBondContact O-N 2.98Å |
| 38 | L | 81.5 | Confident | 81.7 | Confident | 118 Ų | 118 | 92.7 Ų | 92.7 | 62% | 0.618 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 125.4 | 175.8 | -178.3 | 69.2 | 0 | 0 | 0 | 110.5 | Y68 | L38-Y68 HydrophobicContact CD1-CD2 3.63Å; L38-Y68 HydrophobicContact CD1-CE2 4.33Å; L38-Y68 HydrophobicContact CD1-CG 3.97Å |
| 39 | Q | 80.7 | Confident | 81.2 | Confident | 63 Ų | 63 | 93.6 Ų | 93.6 | 29% | 0.294 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -101.7 | 129.1 | 173.6 | -60.7 | -176.5 | 30.5 | 0 | 0 | 110.7 | S32 S34 Q37 | S32-Q39 PolarHBondContact O-NE2 2.88Å; S32-Q39 PolarHBondContact O-OE1 2.78Å; S34-Q39 WeakPolarHBondContact OG-CG 3.24Å; S34-Q39 PolarHBondContact OG-NE2 2.89Å; Q37-Q39 PolarHBondContact O-N 2.98Å |
| 40 | I | 83.7 | Confident | 81.3 | Confident | 144 Ų | 144 | 91.9 Ų | 91.9 | 74% | 0.738 | 51% | 0.513 | S | S | * | . | trans | -105.9 | 133.2 | 172.8 | -58.4 | 175.2 | 0 | 0 | 0 | 107.4 | ||||
| 41 | T | 83.7 | Confident | 81.6 | Confident | 48 Ų | 48 | 93.7 Ų | 93.7 | 29% | 0.294 | 52% | 0.516 | S | S | . | . | trans | -131.3 | 118 | 177.6 | -54.3 | 0 | 0 | 0 | 0 | 108.6 | K29 L31 L43 | K29-T41 HydrophobicContact CD-CG2 3.9Å; L31-T41 HydrophobicContact CD2-CG2 4.48Å; L31-T41 WeakPolarHBondContact CD2-OG1 3.49Å; T41-L43 HydrophobicContact CG2-CD2 3.83Å; T41-L43 HydrophobicContact CG2-CG 3.98Å | ||
| 42 | E | 85.1 | Confident | 82.1 | Confident | 173 Ų | 173 | 95.5 Ų | 95.5 | 81% | 0.808 | 52% | 0.524 | S | S | * | . | trans | -89.1 | 131.6 | 170.9 | -66 | 179.7 | 177.6 | 0 | 0 | 109 | ||||
| 43 | L | 83.2 | Confident | 82.6 | Confident | 50 Ų | 50 | 94 Ų | 94 | 26% | 0.262 | 51% | 0.509 | S | S | . | . | trans | -129.5 | 97.7 | -178.3 | -63.8 | 173.8 | 0 | 0 | 0 | 107.8 | V12 F27 K29 T41 I45 | V12-L43 HydrophobicContact CB-CD1 4.4Å; V12-L43 HydrophobicContact CG2-CD1 3.42Å; V12-L43 VanDerWaalsContact CG2-CD1 3.42Å; F27-L43 HydrophobicContact CB-CD2 4.18Å; F27-L43 HydrophobicContact CD1-CD2 3.89Å; F27-L43 HydrophobicContact CD2-CB 4.13Å; F27-L43 HydrophobicContact CE1-CD2 4.44Å; F27-L43 HydrophobicContact CE2-CB 4.32Å; F27-L43 HydrophobicContact CG-CB 4.39Å; F27-L43 HydrophobicContact CG-CD2 3.93Å; K29-L43 HydrophobicContact CD-CD2 4.38Å; T41-L43 HydrophobicContact CG2-CD2 3.83Å; T41-L43 HydrophobicContact CG2-CG 3.98Å; L43-I45 PolarHBondContact O-N 3.06Å | ||
| 44 | P | 84.3 | Confident | 83.3 | Confident | 89 Ų | 89 | 94.6 Ų | 94.6 | 58% | 0.578 | 51% | 0.506 | S | S | * | . | trans | -72.9 | 111.1 | -177.4 | 27 | -31.7 | 0 | 0 | 0 | 110.5 | F27 | F27-P44 WeakPolarHBondContact CE2-O 3.29Å; F27-P44 HydrophobicContact CZ-CG 4.15Å; F27-P44 WeakPolarHBondContact CZ-O 3.28Å | ||
| 45 | I | 83.1 | Confident | 83.8 | Confident | 49 Ų | 49 | 96.5 Ų | 96.5 | 25% | 0.251 | 51% | 0.513 | S | S | . | . | trans | -96.9 | 108.5 | 176.5 | -59.1 | 175.8 | 0 | 0 | 0 | 108.5 | V12 T14 F27 L43 D47 L50 I53 | V12-I45 HydrophobicContact CG1-CD1 3.74Å; T14-I45 HydrophobicContact CG2-CD1 4Å; T14-I45 HydrophobicContact CG2-CG2 3.93Å; F27-I45 HydrophobicContact CE2-CG1 4.27Å; L43-I45 PolarHBondContact O-N 3.06Å; I45-D47 HydrophobicContact CG2-CB 3.96Å; I45-D47 PolarHBondContact O-N 3.31Å; I45-L50 HydrophobicContact CG2-CD1 4.41Å; I45-I53 HydrophobicContact CD1-CD1 4.13Å | ||
| 46 | N | 80.1 | Confident | 84.3 | Confident | 162 Ų | 162 | 92.4 Ų | 92.4 | 87% | 0.866 | 49% | 0.488 | S | S | * | . | trans | -92.2 | 74.7 | 175.9 | -70.1 | -15.6 | 0 | 0 | 0 | 110 | ||||
| 47 | D | 77.3 | Confident | 84.7 | Confident | 51 Ų | 51 | 91.5 Ų | 91.5 | 27% | 0.273 | 46% | 0.464 | S | S | . | . | trans | -135.4 | 110.7 | 178.8 | -134 | -30.5 | 0 | 0 | 0 | 110.1 | K26 I45 H49 L50 | K26-D47 WeakPolarHBondContact CE-OD2 3.36Å; K26-D47 IonicContact NZ-OD2 2.91Å; K26-D47 PolarHBondContact NZ-OD2 2.62Å; I45-D47 HydrophobicContact CG2-CB 3.96Å; I45-D47 PolarHBondContact O-N 3.31Å; D47-H49 VanDerWaalsContact C-N 3.28Å; D47-H49 PolarHBondContact O-N 3.02Å; D47-L50 HydrophobicContact CB-CB 4.34Å | ||
| 48 | T | 75.2 | Confident | 85.1 | Confident | 128 Ų | 128 | 89.1 Ų | 89.1 | 79% | 0.785 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -18 | -174.1 | 47.6 | 0 | 0 | 0 | 0 | 113.5 | ||
| 49 | H | 81.5 | Confident | 85.1 | Confident | 131 Ų | 131 | 84.8 Ų | 84.8 | 61% | 0.606 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.1 | 32.8 | -177.2 | -61.2 | -61.9 | 0 | 0 | 0 | 112 | S16 D47 H51 | S16-H49 WeakPolarHBondContact CA-O 3.5Å; S16-H49 WeakPolarHBondContact CB-O 3.36Å; D47-H49 VanDerWaalsContact C-N 3.28Å; D47-H49 PolarHBondContact O-N 3.02Å; H49-H51 PolarHBondContact O-CD2 2.83Å; H49-H51 PolarHBondContact O-N 3.27Å |
| 50 | L | 86.7 | Confident | 84.9 | Confident | 63 Ų | 63 | 82.7 Ų | 82.7 | 33% | 0.33 | 43% | 0.43 | S | S | . | . | trans | -65.8 | 122.7 | 177 | -176.8 | 86.2 | 0 | 0 | 0 | 111.3 | T14 I45 D47 I53 | T14-L50 HydrophobicContact CG2-CD1 3.34Å; I45-L50 HydrophobicContact CG2-CD1 4.41Å; D47-L50 HydrophobicContact CB-CB 4.34Å; L50-I53 HydrophobicContact CD1-CG1 3.9Å; L50-I53 HydrophobicContact CD2-CD1 3.49Å; L50-I53 VanDerWaalsContact CD2-CD1 3.49Å; L50-I53 HydrophobicContact CD2-CG1 3.58Å; L50-I53 HydrophobicContact CG-CG1 4.12Å | ||
| 51 | H | 90 | Very high | 84.2 | Confident | 114 Ų | 114 | 78.7 Ų | 78.7 | 53% | 0.528 | 41% | 0.406 | S | S | . | . | trans | -110.6 | -36.9 | 173.3 | -80.3 | -76.5 | 0 | 0 | 0 | 113.1 | S15 S16 H17 H49 | S15-H51 PolarHBondContact O-N 2.84Å; S16-H51 PolarHBondContact O-CD2 2.8Å; H17-H51 VanDerWaalsContact O-CB 3.26Å; H17-H51 WeakPolarHBondContact O-CB 3.26Å; H49-H51 PolarHBondContact O-CD2 2.83Å; H49-H51 PolarHBondContact O-N 3.27Å | ||
| 52 | H | 92.3 | Very high | 83.7 | Confident | 50 Ų | 50 | 81 Ų | 81 | 23% | 0.231 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 142 | -178.6 | -53.1 | -82.1 | 0 | 0 | 0 | 111 | T14 S15 H17 T18 K19 F23 | T14-H52 CarbonylContact C-O 3.52Å; T14-H52 WeakPolarHBondContact CA-O 3.33Å; S15-H52 PolarHBondContact N-O 3.36Å; S15-H52 PolarHBondContact O-N 2.83Å; H17-H52 PolarHBondContact O-CD2 3.2Å; H17-H52 PolarHBondContact O-NE2 3.37Å; H17-H52 VanDerWaalsContact O-NE2 3.11Å; T18-H52 PolarHBondContact O-NE2 2.93Å; T18-H52 VanDerWaalsContact O-NE2 3.08Å; K19-H52 PolarHBondContact O-CD2 3.4Å; K19-H52 PolarHBondContact O-NE2 3.08Å; F23-H52 HydrophobicContact CE1-CB 3.82Å; F23-H52 HydrophobicContact CZ-CB 3.98Å |
| 53 | I | 91.4 | Very high | 83.2 | Confident | 54 Ų | 54 | 81.3 Ų | 81.3 | 28% | 0.277 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 136.3 | 169.8 | -62.2 | 174 | 0 | 0 | 0 | 108.4 | V12 T14 I45 L50 F72 | V12-I53 HydrophobicContact CG1-CG2 3.97Å; T14-I53 HydrophobicContact CG2-CG1 4.41Å; I45-I53 HydrophobicContact CD1-CD1 4.13Å; L50-I53 HydrophobicContact CD1-CG1 3.9Å; L50-I53 HydrophobicContact CD2-CD1 3.49Å; L50-I53 VanDerWaalsContact CD2-CD1 3.49Å; L50-I53 HydrophobicContact CD2-CG1 3.58Å; L50-I53 HydrophobicContact CG-CG1 4.12Å; I53-F72 HydrophobicContact CB-CE1 4.21Å; I53-F72 HydrophobicContact CB-CZ 4.43Å; I53-F72 HydrophobicContact CD1-CD1 3.38Å; I53-F72 HydrophobicContact CD1-CE1 3.19Å; I53-F72 HydrophobicContact CD1-CG 4.4Å; I53-F72 HydrophobicContact CD1-CZ 4.07Å; I53-F72 HydrophobicContact CG1-CE1 4.28Å; I53-F72 HydrophobicContact CG2-CE1 4.01Å; I53-F72 HydrophobicContact CG2-CZ 4.34Å |
| 54 | R | 92.4 | Very high | 82.8 | Confident | 87 Ų | 87 | 86.4 Ų | 86.4 | 33% | 0.328 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 114.3 | 172 | -173.8 | 168.5 | 66.1 | -171.7 | 3.1 | 109.4 | E13 F23 K56 | E13-R54 HydrophobicContact CB-CB 4.45Å; E13-R54 PolarHBondContact N-O 2.8Å; E13-R54 PolarHBondContact O-N 2.87Å; E13-R54 IonicContact OE1-NH2 3.06Å; E13-R54 PolarHBondContact OE1-NH2 2.78Å; E13-R54 IonicContact OE2-CZ 2.62Å; E13-R54 IonicContact OE2-NE 2.78Å; E13-R54 PolarHBondContact OE2-NE 2.85Å; E13-R54 IonicContact OE2-NH2 3.05Å; E13-R54 PolarHBondContact OE2-NH2 3.16Å; F23-R54 VanDerWaalsContact CB-NH2 3.34Å; F23-R54 HydrophobicContact CD1-CB 3.76Å; F23-R54 VanDerWaalsContact CD2-CZ 3.48Å; F23-R54 VanDerWaalsContact CD2-NH1 3.27Å; F23-R54 HydrophobicContact CE1-CB 3.56Å; F23-R54 HydrophobicContact CG-CB 4.44Å; F23-R54 HydrophobicContact CZ-CB 4.07Å; R54-K56 HydrophobicContact CG-CG 4.32Å |
| 55 | L | 90.3 | Very high | 82.6 | Confident | 72 Ų | 72 | 85.2 Ų | 85.2 | 38% | 0.377 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 118.7 | 168.4 | -177 | 71.8 | 0 | 0 | 0 | 108.5 | V12 V67 V70 | V12-L55 HydrophobicContact CG2-CD1 3.72Å; L55-V67 HydrophobicContact CD2-CG2 4.44Å; L55-V70 HydrophobicContact CD2-CG2 4.36Å |
| 56 | K | 90.5 | Very high | 82.5 | Confident | 69 Ų | 69 | 85 Ų | 85 | 30% | 0.3 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 130.8 | 171.9 | -77.6 | 176.8 | 175.4 | 166.1 | 0 | 109.8 | K10 Q11 E13 R54 L58 | K10-K56 WeakPolarHBondContact CA-O 3.3Å; Q11-K56 HydrophobicContact CB-CB 4.09Å; Q11-K56 PolarHBondContact N-O 2.86Å; Q11-K56 PolarHBondContact O-N 2.91Å; E13-K56 IonicContact OE1-NZ 3.1Å; E13-K56 PolarHBondContact OE1-NZ 2.84Å; E13-K56 VanDerWaalsContact OE2-CD 3.26Å; E13-K56 WeakPolarHBondContact OE2-CD 3.41Å; E13-K56 WeakPolarHBondContact OE2-CE 3.29Å; E13-K56 IonicContact OE2-NZ 2.7Å; E13-K56 PolarHBondContact OE2-NZ 3.16Å; E13-K56 VanDerWaalsContact OE2-NZ 3.1Å; R54-K56 HydrophobicContact CG-CG 4.32Å; K56-L58 HydrophobicContact CB-CD2 4.19Å |
| 57 | I | 86.5 | Confident | 82.7 | Confident | 60 Ų | 60 | 80.6 Ų | 80.6 | 31% | 0.308 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 108.6 | 170.1 | -58 | -176.2 | 0 | 0 | 0 | 106 | S59 V65 V67 | I57-S59 VanDerWaalsContact CG2-O 3.26Å; I57-S59 WeakPolarHBondContact CG2-O 3.31Å; I57-V65 HydrophobicContact CD1-CB 4.43Å; I57-V65 HydrophobicContact CD1-CG1 3.67Å; I57-V65 HydrophobicContact CG2-CB 4.13Å; I57-V65 HydrophobicContact CG2-CG1 3.9Å; I57-V65 HydrophobicContact CG2-CG2 3.93Å; I57-V67 HydrophobicContact CD1-CG2 3.4Å |
| 58 | L | 86.9 | Confident | 83 | Confident | 96 Ų | 96 | 87 Ų | 87 | 50% | 0.503 | 44% | 0.442 | S | S | . | . | trans | -85.7 | -26.7 | -175.7 | -55.5 | -177.4 | 0 | 0 | 0 | 112 | V9 Q11 K56 | V9-L58 HydrophobicContact CB-CB 4.18Å; V9-L58 HydrophobicContact CB-CD1 4.1Å; V9-L58 HydrophobicContact CB-CG 4.48Å; V9-L58 HydrophobicContact CG1-CD1 3.79Å; V9-L58 WeakPolarHBondContact O-CB 3.26Å; V9-L58 PolarHBondContact O-N 3.37Å; Q11-L58 HydrophobicContact CG-CD1 3.95Å; Q11-L58 HydrophobicContact CG-CG 4.45Å; K56-L58 HydrophobicContact CB-CD2 4.19Å | ||
| 59 | S | 81.5 | Confident | 83.5 | Confident | 28 Ų | 28 | 90 Ų | 90 | 20% | 0.196 | 44% | 0.439 | C | S | . | . | trans | -152.3 | 165.7 | 179.8 | 55.8 | 0 | 0 | 0 | 0 | 111.7 | S6 C7 P8 V9 I57 | S6-S59 WeakPolarHBondContact OG-CB 3.47Å; C7-S59 PolarHBondContact O-OG 2.96Å; P8-S59 WeakPolarHBondContact CA-O 3.14Å; P8-S59 VanDerWaalsContact CA-OG 3.28Å; P8-S59 WeakPolarHBondContact CA-OG 3.11Å; P8-S59 VanDerWaalsContact CB-O 3.29Å; P8-S59 WeakPolarHBondContact CB-O 3.19Å; V9-S59 PolarHBondContact N-OG 2.88Å; I57-S59 VanDerWaalsContact CG2-O 3.26Å; I57-S59 WeakPolarHBondContact CG2-O 3.31Å | ||
| 60 | G | 77 | Confident | 83.7 | Confident | 18 Ų | 18 | 87.2 Ų | 87.2 | 19% | 0.186 | 43% | 0.432 | C | S | . | . | trans | -143 | 161.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S62 | G60-S62 PolarHBondContact O-N 3.05Š| ||
| 61 | Y | 68.9 | Low | 83.6 | Confident | 61 Ų | 61 | 89.9 Ų | 89.9 | 24% | 0.239 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -77.8 | 112.8 | 168.2 | -70 | -71.9 | 0 | 0 | 0 | 108.7 | S6 C7 P8 L31 S32 D33 | S6-Y61 WeakPolarHBondContact O-CD1 3.43Å; S6-Y61 VanDerWaalsContact O-CE1 3.31Å; S6-Y61 WeakPolarHBondContact O-CE1 3.45Å; C7-Y61 WeakPolarHBondContact CA-OH 3.29Å; C7-Y61 PolarHBondContact SG-OH 2.9Å; P8-Y61 VanDerWaalsContact CD-CD2 3.49Å; P8-Y61 WeakPolarHBondContact CD-OH 3.45Å; P8-Y61 HydrophobicContact CG-CD2 3.59Å; P8-Y61 HydrophobicContact CG-CE2 3.31Å; L31-Y61 PolarHBondContact O-OH 2.71Å; S32-Y61 VanDerWaalsContact C-OH 3.31Å; D33-Y61 HydrophobicContact CB-CE1 3.94Å; D33-Y61 HydrophobicContact CB-CE2 4Å; D33-Y61 PolarHBondContact N-OH 2.71Å |
| 62 | S | 73.3 | Confident | 83.3 | Confident | 96 Ų | 96 | 91.1 Ų | 91.1 | 67% | 0.671 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.3 | -122.5 | 179.6 | -171.3 | 0 | 0 | 0 | 0 | 114.2 | G60 | G60-S62 PolarHBondContact O-N 3.05Š|
| 63 | H | 75.9 | Confident | 82.7 | Confident | 179 Ų | 179 | 97 Ų | 97 | 83% | 0.829 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.6 | -14.6 | -160.5 | -53.9 | -52.7 | 0 | 0 | 0 | 115 | ||
| 64 | F | 73.9 | Confident | 81.8 | Confident | 157 Ų | 157 | 97.5 Ų | 97.5 | 69% | 0.689 | 50% | 0.501 | S | S | * | . | trans | -146.2 | 153.4 | -178.7 | 69.1 | -84.8 | 0 | 0 | 0 | 111.4 | ||||
| 65 | V | 80.1 | Confident | 80.2 | Confident | 65 Ų | 65 | 107.1 Ų | 107.1 | 39% | 0.394 | 55% | 0.546 | S | S | . | . | trans | -122 | 130.4 | 167.8 | -176.3 | 0 | 0 | 0 | 0 | 108.3 | I57 | I57-V65 HydrophobicContact CD1-CB 4.43Å; I57-V65 HydrophobicContact CD1-CG1 3.67Å; I57-V65 HydrophobicContact CG2-CB 4.13Å; I57-V65 HydrophobicContact CG2-CG1 3.9Å; I57-V65 HydrophobicContact CG2-CG2 3.93Å | ||
| 66 | A | 80.9 | Confident | 79.7 | Confident | 45 Ų | 45 | 108.9 Ų | 108.9 | 37% | 0.372 | 55% | 0.554 | S | S | . | * | trans | -108 | 129.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y68 | A66-Y68 HydrophobicContact CB-CD2 4.32Å; A66-Y68 HydrophobicContact CB-CE2 3.81Å | ||
| 67 | V | 84.5 | Confident | 79.1 | Confident | 68 Ų | 68 | 111 Ų | 111 | 41% | 0.412 | 57% | 0.567 | S | S | . | * | trans | -103 | 104.3 | 166.2 | -177.6 | 0 | 0 | 0 | 0 | 107.4 | L55 I57 V70 | L55-V67 HydrophobicContact CD2-CG2 4.44Å; I57-V67 HydrophobicContact CD1-CG2 3.4Å; V67-V70 HydrophobicContact CG1-CG2 3.45Å; V67-V70 VanDerWaalsContact CG1-CG2 3.45Å | ||
| 68 | Y | 84.5 | Confident | 78.7 | Confident | 185 Ų | 185 | 113.8 Ų | 113.8 | 73% | 0.725 | 58% | 0.582 | S | S | * | * | trans | -73.9 | -39.6 | -176.2 | -72.5 | -87.1 | 0 | 0 | 0 | 112.9 | L38 A66 | L38-Y68 HydrophobicContact CD1-CD2 3.63Å; L38-Y68 HydrophobicContact CD1-CE2 4.33Å; L38-Y68 HydrophobicContact CD1-CG 3.97Å; A66-Y68 HydrophobicContact CB-CD2 4.32Å; A66-Y68 HydrophobicContact CB-CE2 3.81Å | ||
| 69 | R | 85 | Confident | 78.2 | Confident | 191 Ų | 191 | 114.9 Ų | 114.9 | 72% | 0.721 | 59% | 0.586 | S | S | * | * | trans | -153.9 | 136.2 | -178.3 | -160 | 177 | -178.1 | -173.1 | -5 | 109.9 | L71 | R69-L71 HydrophobicContact CG-CD1 4.49Å; R69-L71 HydrophobicContact CG-CD2 4.44Å; R69-L71 HydrophobicContact CG-CG 4.07Å | ||
| 70 | V | 85.5 | Confident | 78 | Confident | 74 Ų | 74 | 120.3 Ų | 120.3 | 45% | 0.448 | 61% | 0.611 | S | S | . | * | trans | -118.9 | 126.1 | 165.9 | -174.2 | 0 | 0 | 0 | 0 | 106.4 | L55 V67 F72 | L55-V70 HydrophobicContact CD2-CG2 4.36Å; V67-V70 HydrophobicContact CG1-CG2 3.45Å; V67-V70 VanDerWaalsContact CG1-CG2 3.45Å; V70-F72 HydrophobicContact CG1-CD2 4.41Å; V70-F72 HydrophobicContact CG1-CE1 4.01Å; V70-F72 HydrophobicContact CG1-CE2 3.65Å; V70-F72 HydrophobicContact CG1-CZ 3.43Å; V70-F72 VanDerWaalsContact CG1-CZ 3.43Å | ||
| 71 | L | 85.4 | Confident | 78.1 | Confident | 118 Ų | 118 | 127.1 Ų | 127.1 | 62% | 0.618 | 64% | 0.639 | S | S | * | * | trans | -119.5 | 135.7 | 176.9 | -70.7 | 168.9 | 0 | 0 | 0 | 108.5 | R69 | R69-L71 HydrophobicContact CG-CD1 4.49Å; R69-L71 HydrophobicContact CG-CD2 4.44Å; R69-L71 HydrophobicContact CG-CG 4.07Å | ||
| 72 | F | 83 | Confident | 78.7 | Confident | 141 Ų | 141 | 131.9 Ų | 131.9 | 62% | 0.618 | 67% | 0.668 | S | S | * | * | trans | -114.6 | 118.3 | 170.4 | -58.8 | -72 | 0 | 0 | 0 | 106.5 | I53 V70 | I53-F72 HydrophobicContact CB-CE1 4.21Å; I53-F72 HydrophobicContact CB-CZ 4.43Å; I53-F72 HydrophobicContact CD1-CD1 3.38Å; I53-F72 HydrophobicContact CD1-CE1 3.19Å; I53-F72 HydrophobicContact CD1-CG 4.4Å; I53-F72 HydrophobicContact CD1-CZ 4.07Å; I53-F72 HydrophobicContact CG1-CE1 4.28Å; I53-F72 HydrophobicContact CG2-CE1 4.01Å; I53-F72 HydrophobicContact CG2-CZ 4.34Å; V70-F72 HydrophobicContact CG1-CD2 4.41Å; V70-F72 HydrophobicContact CG1-CE1 4.01Å; V70-F72 HydrophobicContact CG1-CE2 3.65Å; V70-F72 HydrophobicContact CG1-CZ 3.43Å; V70-F72 VanDerWaalsContact CG1-CZ 3.43Å | ||
| 73 | D | 78.6 | Confident | 79.1 | Confident | 173 Ų | 173 | 134.6 Ų | 134.6 | 93% | 0.925 | 67% | 0.668 | S | S | * | * | trans | -103.8 | 104.5 | 170.8 | -165.3 | 12.3 | 0 | 0 | 0 | 107.2 | ||||
| 74 | G | 73.8 | Confident | 79.4 | Confident | 65 Ų | 65 | 130.9 Ų | 130.9 | 67% | 0.67 | 65% | 0.654 | S | S | * | * | trans | -113.8 | 135.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 75 | K | 57.5 | Low | 79.9 | Confident | 289 Ų | 289 | 128.5 Ų | 128.5 | 100% | 1.257 | 65% | 0.651 | S | S | * | * | trans | -75 | 0 | 169.5 | -91.6 | -174.2 | 175.8 | 179.3 | 0 | 111.8 |
Retrieved 75 of 75 residues in 23.3 ms
(Link to these results)