| 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 | 52.5 | Low | 75.7 | Confident | 139 Ų | 139 | 82.2 Ų | 82.2 | 69% | 0.685 | 48% | 0.48 | S | S | * | . | 0 | 126.5 | 0 | -85.5 | -147.5 | -90.8 | 0 | 0 | 110.3 | E50 | M1-E50 WeakPolarHBondContact CE-OE1 3.42Š| |||
| 2 | S | 54.2 | Low | 77.1 | Confident | 80 Ų | 80 | 76.6 Ų | 76.6 | 56% | 0.559 | 45% | 0.446 | S | S | * | . | trans | -68.4 | 158.2 | 173.4 | 61 | 0 | 0 | 0 | 0 | 110.9 | S4 G5 R6 | S2-S4 PolarHBondContact O-N 3.25Å; S2-S4 VanDerWaalsContact O-N 3.15Å; S2-G5 PolarHBondContact O-N 2.99Å; S2-G5 VanDerWaalsContact O-N 3.13Å; S2-R6 PolarHBondContact O-N 2.86Å | ||
| 3 | A | 62.5 | Low | 78.4 | Confident | 76 Ų | 76 | 71.4 Ų | 71.4 | 63% | 0.628 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -57.2 | -28.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | K7 | A3-K7 PolarHBondContact O-N 2.77Å |
| 4 | S | 66.7 | Low | 79.4 | Confident | 94 Ų | 94 | 76.6 Ų | 76.6 | 66% | 0.657 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -72.8 | -37.3 | 178 | -48.1 | 0 | 0 | 0 | 0 | 113.1 | S2 A8 | S2-S4 PolarHBondContact O-N 3.25Å; S2-S4 VanDerWaalsContact O-N 3.15Å; S4-A8 PolarHBondContact O-N 3.26Å |
| 5 | G | 73.3 | Confident | 80.3 | Confident | 25 Ų | 25 | 74.1 Ų | 74.1 | 26% | 0.258 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -66.5 | -40.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | S2 K7 A8 V9 | S2-G5 PolarHBondContact O-N 2.99Å; S2-G5 VanDerWaalsContact O-N 3.13Å; G5-K7 PolarHBondContact O-N 3.09Å; G5-A8 WeakPolarHBondContact O-CB 3.36Å; G5-A8 PolarHBondContact O-N 3.21Å; G5-V9 WeakPolarHBondContact O-CG2 3.24Å; G5-V9 PolarHBondContact O-N 2.96Å; G5-V9 VanDerWaalsContact O-N 3.08Å |
| 6 | R | 80.6 | Confident | 81 | Confident | 137 Ų | 137 | 69.4 Ų | 69.4 | 52% | 0.517 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 178.9 | -156.2 | -179.3 | -61.2 | 167.4 | 1.4 | 112.2 | S2 A8 V9 E10 | S2-R6 PolarHBondContact O-N 2.86Å; R6-A8 VanDerWaalsContact C-N 3.32Å; R6-A8 PolarHBondContact O-N 2.83Å; R6-V9 PolarHBondContact O-N 2.95Å; R6-E10 WeakPolarHBondContact O-CG 3.34Å; R6-E10 PolarHBondContact O-N 3.03Å |
| 7 | K | 85.1 | Confident | 81.7 | Confident | 149 Ų | 149 | 67.3 Ų | 67.3 | 65% | 0.648 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -63 | -37 | 175.2 | -72.3 | -175.9 | 177.9 | -174.4 | 0 | 112.8 | A3 G5 E10 A11 | A3-K7 PolarHBondContact O-N 2.77Å; G5-K7 PolarHBondContact O-N 3.09Å; K7-E10 PolarHBondContact O-N 2.79Å; K7-A11 WeakPolarHBondContact O-CB 3.47Å; K7-A11 PolarHBondContact O-N 2.97Å |
| 8 | A | 87.4 | Confident | 82.2 | Confident | 44 Ų | 44 | 72.3 Ų | 72.3 | 36% | 0.364 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66 | -41.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S4 G5 R6 M12 V47 | S4-A8 PolarHBondContact O-N 3.26Å; G5-A8 WeakPolarHBondContact O-CB 3.36Å; G5-A8 PolarHBondContact O-N 3.21Å; R6-A8 VanDerWaalsContact C-N 3.32Å; R6-A8 PolarHBondContact O-N 2.83Å; A8-M12 VanDerWaalsContact O-CB 3.3Å; A8-M12 WeakPolarHBondContact O-CB 3.42Å; A8-M12 PolarHBondContact O-N 2.98Å; A8-V47 HydrophobicContact CB-CG1 4.15Å |
| 9 | V | 89.6 | Confident | 82.7 | Confident | 2 Ų | 2 | 72.2 Ų | 72.2 | 1% | 0.012 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -65.6 | -43.3 | 175.3 | 175.6 | 0 | 0 | 0 | 0 | 111.2 | G5 R6 M12 C13 V47 E50 A51 E54 | G5-V9 WeakPolarHBondContact O-CG2 3.24Å; G5-V9 PolarHBondContact O-N 2.96Å; G5-V9 VanDerWaalsContact O-N 3.08Å; R6-V9 PolarHBondContact O-N 2.95Å; V9-M12 WeakPolarHBondContact O-CB 3.4Å; V9-M12 PolarHBondContact O-N 3.14Å; V9-C13 PolarHBondContact O-N 3.39Å; V9-C13 PolarHBondContact O-SG 3.43Å; V9-C13 VanDerWaalsContact O-SG 3.32Å; V9-V47 HydrophobicContact CG2-CG1 3.99Å; V9-E50 HydrophobicContact CG1-CG 4.22Å; V9-E50 HydrophobicContact CG2-CB 4.26Å; V9-E50 HydrophobicContact CG2-CG 4.09Å; V9-A51 HydrophobicContact CG1-CB 4.32Å; V9-E54 HydrophobicContact CG1-CG 4.31Å |
| 10 | E | 90.2 | Very high | 83.1 | Confident | 100 Ų | 100 | 68.6 Ų | 68.6 | 47% | 0.467 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.1 | -48.7 | 176.4 | -74.7 | 168.9 | -177.9 | 0 | 0 | 112.1 | R6 K7 M12 C13 E14 | R6-E10 WeakPolarHBondContact O-CG 3.34Å; R6-E10 PolarHBondContact O-N 3.03Å; K7-E10 PolarHBondContact O-N 2.79Å; E10-M12 VanDerWaalsContact C-N 3.27Å; E10-M12 PolarHBondContact O-N 3.24Å; E10-C13 WeakPolarHBondContact O-CB 3.37Å; E10-C13 PolarHBondContact O-N 2.99Å; E10-E14 PolarHBondContact O-N 2.93Å; E10-E14 VanDerWaalsContact O-N 3.11Å |
| 11 | A | 90.8 | Very high | 83.4 | Confident | 58 Ų | 58 | 71.6 Ų | 71.6 | 48% | 0.479 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61 | -38 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | K7 E14 A15 | K7-A11 WeakPolarHBondContact O-CB 3.47Å; K7-A11 PolarHBondContact O-N 2.97Å; A11-E14 PolarHBondContact O-N 3.31Å; A11-A15 WeakPolarHBondContact O-CB 3.44Å; A11-A15 PolarHBondContact O-N 3.47Å |
| 12 | M | 92.6 | Very high | 85.1 | Confident | 15 Ų | 15 | 69.5 Ų | 69.5 | 7% | 0.074 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.4 | -40.9 | 175.6 | -175.5 | 65.1 | 63.2 | 0 | 0 | 112 | A8 V9 E10 E14 A15 V16 L36 C43 V47 F48 A51 | A8-M12 VanDerWaalsContact O-CB 3.3Å; A8-M12 WeakPolarHBondContact O-CB 3.42Å; A8-M12 PolarHBondContact O-N 2.98Å; V9-M12 WeakPolarHBondContact O-CB 3.4Å; V9-M12 PolarHBondContact O-N 3.14Å; E10-M12 VanDerWaalsContact C-N 3.27Å; E10-M12 PolarHBondContact O-N 3.24Å; M12-E14 VanDerWaalsContact C-N 3.32Å; M12-E14 PolarHBondContact O-N 3.45Å; M12-A15 PolarHBondContact O-N 2.95Å; M12-V16 HydrophobicContact CG-CG2 4.41Å; M12-V16 WeakPolarHBondContact O-CB 3.34Å; M12-V16 VanDerWaalsContact O-CG2 3.3Å; M12-V16 WeakPolarHBondContact O-CG2 3.42Å; M12-V16 PolarHBondContact O-N 3.45Å; M12-V16 HydrophobicContact SD-CG2 4.46Å; M12-L36 HydrophobicContact SD-CD1 4.08Å; M12-C43 HydrophobicContact CE-CB 3.92Å; M12-C43 WeakPolarHBondContact CE-SG 3.4Å; M12-V47 HydrophobicContact CB-CG1 3.96Å; M12-V47 HydrophobicContact CE-CG1 4.29Å; M12-V47 HydrophobicContact CG-CG1 4.31Å; M12-F48 HydrophobicContact CG-CB 4.5Å; M12-F48 HydrophobicContact SD-CB 4.35Å; M12-F48 HydrophobicContact SD-CD2 4.19Å; M12-A51 HydrophobicContact CB-CB 3.85Å; M12-A51 HydrophobicContact CG-CB 3.51Å |
| 13 | C | 93.2 | Very high | 86.5 | Confident | 9 Ų | 9 | 67 Ų | 67 | 6% | 0.061 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -56.5 | -47.4 | 174.3 | -77.2 | 0 | 0 | 0 | 0 | 111 | V9 E10 V16 L17 A51 L55 | V9-C13 PolarHBondContact O-N 3.39Å; V9-C13 PolarHBondContact O-SG 3.43Å; V9-C13 VanDerWaalsContact O-SG 3.32Å; E10-C13 WeakPolarHBondContact O-CB 3.37Å; E10-C13 PolarHBondContact O-N 2.99Å; C13-V16 PolarHBondContact O-N 3.27Å; C13-L17 WeakPolarHBondContact O-CB 3.27Å; C13-L17 VanDerWaalsContact O-CG 3.31Å; C13-L17 WeakPolarHBondContact O-CG 3.49Å; C13-L17 PolarHBondContact O-N 3Å; C13-A51 VanDerWaalsContact SG-CB 3.59Å; C13-L55 HydrophobicContact CB-CD1 4.38Å; C13-L55 HydrophobicContact CB-CD2 3.94Å; C13-L55 HydrophobicContact CB-CG 4.14Å |
| 14 | E | 92.5 | Very high | 87.3 | Confident | 145 Ų | 145 | 73.8 Ų | 73.8 | 68% | 0.678 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -62.3 | -44.4 | 177.4 | -68.9 | -177.2 | 179.7 | 0 | 0 | 112.3 | E10 A11 M12 L17 K18 | E10-E14 PolarHBondContact O-N 2.93Å; E10-E14 VanDerWaalsContact O-N 3.11Å; A11-E14 PolarHBondContact O-N 3.31Å; M12-E14 VanDerWaalsContact C-N 3.32Å; M12-E14 PolarHBondContact O-N 3.45Å; E14-L17 PolarHBondContact O-N 3.02Å; E14-K18 WeakPolarHBondContact O-CB 3.45Å; E14-K18 PolarHBondContact O-N 3.46Å |
| 15 | A | 92.6 | Very high | 88.2 | Confident | 38 Ų | 38 | 71.1 Ų | 71.1 | 31% | 0.314 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A11 M12 K18 Q19 L36 | A11-A15 WeakPolarHBondContact O-CB 3.44Å; A11-A15 PolarHBondContact O-N 3.47Å; M12-A15 PolarHBondContact O-N 2.95Å; A15-K18 PolarHBondContact O-N 3.35Å; A15-Q19 WeakPolarHBondContact O-CB 3.42Å; A15-Q19 PolarHBondContact O-N 3.37Å; A15-L36 HydrophobicContact CB-CD2 3.84Å |
| 16 | V | 92.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -58.4 | -51.4 | 173.9 | 164.3 | 0 | 0 | 0 | 0 | 110.6 | M12 C13 K18 Q19 L20 L32 L36 F48 I52 L55 | M12-V16 HydrophobicContact CG-CG2 4.41Å; M12-V16 WeakPolarHBondContact O-CB 3.34Å; M12-V16 VanDerWaalsContact O-CG2 3.3Å; M12-V16 WeakPolarHBondContact O-CG2 3.42Å; M12-V16 PolarHBondContact O-N 3.45Å; M12-V16 HydrophobicContact SD-CG2 4.46Å; C13-V16 PolarHBondContact O-N 3.27Å; V16-K18 VanDerWaalsContact C-N 3.33Å; V16-K18 PolarHBondContact O-N 2.76Å; V16-Q19 PolarHBondContact O-N 3.19Å; V16-L20 HydrophobicContact CG1-CD1 3.56Å; V16-L20 HydrophobicContact CG1-CG 4.17Å; V16-L20 WeakPolarHBondContact O-CB 3.37Å; V16-L20 VanDerWaalsContact O-CG 3.32Å; V16-L20 WeakPolarHBondContact O-CG 3.32Å; V16-L20 PolarHBondContact O-N 2.93Å; V16-L32 HydrophobicContact CG1-CD2 4.11Å; V16-L36 HydrophobicContact CG2-CD1 3.52Å; V16-F48 HydrophobicContact CG2-CD2 4.04Å; V16-F48 HydrophobicContact CG2-CE2 3.89Å; V16-I52 HydrophobicContact CG1-CD1 3.76Å; V16-I52 HydrophobicContact CG2-CD1 4.1Å; V16-L55 HydrophobicContact CB-CD1 3.84Å; V16-L55 HydrophobicContact CG1-CD1 3.43Å; V16-L55 VanDerWaalsContact CG1-CD1 3.43Å |
| 17 | L | 92.1 | Very high | 89.7 | Confident | 33 Ų | 33 | 68.8 Ų | 68.8 | 17% | 0.173 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.3 | -42.1 | -178.6 | -73.5 | -179.7 | 0 | 0 | 0 | 111.7 | C13 E14 Q19 L20 K21 L55 I61 F70 | C13-L17 WeakPolarHBondContact O-CB 3.27Å; C13-L17 VanDerWaalsContact O-CG 3.31Å; C13-L17 WeakPolarHBondContact O-CG 3.49Å; C13-L17 PolarHBondContact O-N 3Å; E14-L17 PolarHBondContact O-N 3.02Å; L17-Q19 VanDerWaalsContact C-N 3.3Å; L17-Q19 PolarHBondContact O-N 3.46Å; L17-L20 PolarHBondContact O-N 3.47Å; L17-K21 WeakPolarHBondContact O-CB 3.41Å; L17-K21 WeakPolarHBondContact O-CG 3.27Å; L17-K21 PolarHBondContact O-N 2.85Å; L17-L55 HydrophobicContact CD1-CD2 3.64Å; L17-L55 HydrophobicContact CD2-CD1 4.02Å; L17-L55 HydrophobicContact CD2-CD2 3.91Å; L17-L55 HydrophobicContact CG-CD1 3.94Å; L17-L55 HydrophobicContact CG-CD2 3.7Å; L17-L55 HydrophobicContact CG-CG 4.48Å; L17-I61 HydrophobicContact CD2-CG2 3.86Å; L17-F70 HydrophobicContact CD2-CD2 3.8Å; L17-F70 HydrophobicContact CD2-CE2 3.81Å |
| 18 | K | 91.7 | Very high | 90.1 | Very high | 157 Ų | 157 | 64.2 Ų | 64.2 | 68% | 0.683 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -58.7 | -44.3 | 176 | -174.7 | 178.3 | 179.5 | 180 | 0 | 111.2 | E14 A15 V16 T22 | E14-K18 WeakPolarHBondContact O-CB 3.45Å; E14-K18 PolarHBondContact O-N 3.46Å; A15-K18 PolarHBondContact O-N 3.35Å; V16-K18 VanDerWaalsContact C-N 3.33Å; V16-K18 PolarHBondContact O-N 2.76Å; K18-T22 PolarHBondContact O-N 2.92Å; K18-T22 PolarHBondContact O-OG1 2.99Å |
| 19 | Q | 91.3 | Very high | 90.3 | Very high | 70 Ų | 70 | 63 Ų | 63 | 33% | 0.327 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -71.2 | -36.4 | 179.1 | -168.9 | 60.3 | 16.5 | 0 | 0 | 112.8 | A15 V16 L17 T22 A23 L32 T35 L36 | A15-Q19 WeakPolarHBondContact O-CB 3.42Å; A15-Q19 PolarHBondContact O-N 3.37Å; V16-Q19 PolarHBondContact O-N 3.19Å; L17-Q19 VanDerWaalsContact C-N 3.3Å; L17-Q19 PolarHBondContact O-N 3.46Å; Q19-T22 PolarHBondContact O-N 3.31Å; Q19-T22 PolarHBondContact O-OG1 2.9Å; Q19-A23 WeakPolarHBondContact O-CB 3.44Å; Q19-A23 PolarHBondContact O-N 3.25Å; Q19-L32 HydrophobicContact CB-CD1 3.92Å; Q19-L32 HydrophobicContact CG-CD1 3.69Å; Q19-T35 HydrophobicContact CG-CG2 4.3Å; Q19-L36 HydrophobicContact CB-CD2 4.45Å |
| 20 | L | 90.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 69.8 Ų | 69.8 | 1% | 0.005 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -73 | -30.5 | 176.8 | -70.3 | 175.6 | 0 | 0 | 0 | 112.7 | V16 L17 T22 A23 V27 L32 I61 I68 F70 | V16-L20 HydrophobicContact CG1-CD1 3.56Å; V16-L20 HydrophobicContact CG1-CG 4.17Å; V16-L20 WeakPolarHBondContact O-CB 3.37Å; V16-L20 VanDerWaalsContact O-CG 3.32Å; V16-L20 WeakPolarHBondContact O-CG 3.32Å; V16-L20 PolarHBondContact O-N 2.93Å; L17-L20 PolarHBondContact O-N 3.47Å; L20-T22 VanDerWaalsContact C-N 3.33Å; L20-A23 PolarHBondContact O-N 3.01Å; L20-A23 VanDerWaalsContact O-O 3.07Å; L20-V27 HydrophobicContact CD2-CG2 3.33Å; L20-L32 HydrophobicContact CD1-CD2 4.39Å; L20-L32 HydrophobicContact CD2-CD1 4.29Å; L20-L32 HydrophobicContact CD2-CD2 4.07Å; L20-L32 HydrophobicContact CG-CD1 4.38Å; L20-L32 HydrophobicContact CG-CD2 4.24Å; L20-I61 HydrophobicContact CD1-CB 4.38Å; L20-I61 HydrophobicContact CD1-CG2 3.48Å; L20-I61 VanDerWaalsContact CD1-CG2 3.48Å; L20-I68 HydrophobicContact CD1-CG2 3.72Å; L20-I68 HydrophobicContact CD2-CG2 4.24Å; L20-F70 HydrophobicContact CB-CB 3.86Å |
| 21 | K | 89.4 | Confident | 90.6 | Very high | 132 Ų | 132 | 67.2 Ų | 67.2 | 57% | 0.574 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -66.7 | -33.9 | 173.4 | -78.8 | 173.2 | 179 | -177.1 | 0 | 112.2 | L17 F70 | L17-K21 WeakPolarHBondContact O-CB 3.41Å; L17-K21 WeakPolarHBondContact O-CG 3.27Å; L17-K21 PolarHBondContact O-N 2.85Å; K21-F70 HydrophobicContact CD-CE1 4.32Å; K21-F70 HydrophobicContact CD-CE2 4.47Å; K21-F70 HydrophobicContact CD-CZ 4.2Å; K21-F70 HydrophobicContact CG-CD1 3.68Å; K21-F70 HydrophobicContact CG-CD2 4.04Å; K21-F70 HydrophobicContact CG-CE1 3.66Å; K21-F70 HydrophobicContact CG-CE2 4.07Å; K21-F70 HydrophobicContact CG-CG 3.88Å; K21-F70 HydrophobicContact CG-CZ 3.9Å |
| 22 | T | 87.1 | Confident | 90.6 | Very high | 94 Ų | 94 | 64.6 Ų | 64.6 | 58% | 0.577 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -82.8 | -28.9 | 176 | 56.7 | 0 | 0 | 0 | 0 | 112.2 | K18 Q19 L20 K24 | K18-T22 PolarHBondContact O-N 2.92Å; K18-T22 PolarHBondContact O-OG1 2.99Å; Q19-T22 PolarHBondContact O-N 3.31Å; Q19-T22 PolarHBondContact O-OG1 2.9Å; L20-T22 VanDerWaalsContact C-N 3.33Å; T22-K24 PolarHBondContact O-N 3.18Å |
| 23 | A | 84.8 | Confident | 90.7 | Very high | 27 Ų | 27 | 64.6 Ų | 64.6 | 22% | 0.223 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -70.7 | 116.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q19 L20 G25 V27 | Q19-A23 WeakPolarHBondContact O-CB 3.44Å; Q19-A23 PolarHBondContact O-N 3.25Å; L20-A23 PolarHBondContact O-N 3.01Å; L20-A23 VanDerWaalsContact O-O 3.07Å; A23-G25 PolarHBondContact O-N 3.44Å; A23-V27 HydrophobicContact CB-CG1 3.66Å |
| 24 | K | 78.9 | Confident | 90.7 | Very high | 219 Ų | 219 | 69 Ų | 69 | 95% | 0.952 | 36% | 0.356 | S | S | * | . | trans | -74.1 | 97.1 | 171.9 | -69.5 | -174.1 | 179.9 | -178.6 | 0 | 109.8 | T22 | T22-K24 PolarHBondContact O-N 3.18Š| ||
| 25 | G | 86.3 | Confident | 90.7 | Very high | 39 Ų | 39 | 65 Ų | 65 | 40% | 0.402 | 34% | 0.341 | S | S | . | . | S | Bend | trans | 102.9 | -147.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | A23 R69 | A23-G25 PolarHBondContact O-N 3.44Å; G25-R69 WeakPolarHBondContact O-CB 3.36Å |
| 26 | F | 90.4 | Very high | 90.6 | Very high | 73 Ų | 73 | 63.8 Ų | 63.8 | 32% | 0.32 | 33% | 0.33 | S | S | . | . | trans | -87 | 137.1 | -178.9 | -75.5 | -88.9 | 0 | 0 | 0 | 111.5 | R67 I68 R69 | F26-R67 HydrophobicContact CB-CB 4.09Å; F26-R67 HydrophobicContact CD1-CB 3.76Å; F26-R67 HydrophobicContact CG-CB 4.27Å; F26-R67 VanDerWaalsContact CG-NH2 3.28Å; F26-I68 WeakPolarHBondContact CA-O 3.5Å; F26-R69 HydrophobicContact CD1-CB 3.79Å; F26-R69 HydrophobicContact CD1-CG 3.87Å; F26-R69 HydrophobicContact CD2-CB 4.43Å; F26-R69 HydrophobicContact CD2-CG 4.48Å; F26-R69 HydrophobicContact CE1-CB 4.1Å; F26-R69 HydrophobicContact CE1-CG 3.63Å; F26-R69 HydrophobicContact CE2-CG 4.3Å; F26-R69 HydrophobicContact CG-CB 3.99Å; F26-R69 HydrophobicContact CG-CG 4.31Å; F26-R69 HydrophobicContact CZ-CG 3.87Å | ||
| 27 | V | 93.3 | Very high | 90.6 | Very high | 40 Ų | 40 | 68.5 Ų | 68.5 | 24% | 0.242 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 150.2 | 169.8 | -64.2 | 0 | 0 | 0 | 0 | 109.7 | L20 A23 L32 R67 I68 | L20-V27 HydrophobicContact CD2-CG2 3.33Å; A23-V27 HydrophobicContact CB-CG1 3.66Å; V27-L32 HydrophobicContact CG2-CB 4.21Å; V27-L32 HydrophobicContact CG2-CD1 4.48Å; V27-R67 CarbonylContact O-C 3.58Å; V27-R67 WeakPolarHBondContact O-CA 3.48Å; V27-I68 WeakPolarHBondContact CG2-O 3.5Å; V27-I68 PolarHBondContact N-O 3.13Å; V27-I68 PolarHBondContact O-N 3.41Å |
| 28 | T | 93.4 | Very high | 90.4 | Very high | 52 Ų | 52 | 71.8 Ų | 71.8 | 32% | 0.319 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 143.4 | 174.1 | 63.6 | 0 | 0 | 0 | 0 | 109.8 | K30 A31 L32 D66 R67 | T28-K30 PolarHBondContact O-N 3.4Å; T28-A31 PolarHBondContact O-N 2.94Å; T28-A31 VanDerWaalsContact O-N 3.09Å; T28-A31 VanDerWaalsContact OG1-CB 3.24Å; T28-A31 WeakPolarHBondContact OG1-CB 3.35Å; T28-A31 PolarHBondContact OG1-N 3.3Å; T28-L32 PolarHBondContact O-N 2.86Å; T28-D66 CarbonylContact C-O 3.59Å; T28-D66 WeakPolarHBondContact CG2-OD2 3.28Å; T28-R67 HydrophobicContact CG2-CG 4.33Å |
| 29 | S | 92.4 | Very high | 90.3 | Very high | 19 Ų | 19 | 68.6 Ų | 68.6 | 13% | 0.133 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -53.6 | -38.7 | 176.4 | 175.9 | 0 | 0 | 0 | 0 | 111.5 | L32 F33 D66 | S29-L32 PolarHBondContact O-N 3.26Å; S29-F33 WeakPolarHBondContact O-CB 3.5Å; S29-F33 PolarHBondContact O-N 3.22Å; S29-D66 WeakPolarHBondContact CB-O 3.45Å; S29-D66 PolarHBondContact N-O 2.97Å |
| 30 | K | 92.5 | Very high | 90 | Very high | 145 Ų | 145 | 68.8 Ų | 68.8 | 63% | 0.63 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -62.7 | -48.8 | 176 | -176.2 | 174.7 | -179.9 | -177.9 | 0 | 112.2 | T28 L32 F33 H34 | T28-K30 PolarHBondContact O-N 3.4Å; K30-L32 VanDerWaalsContact C-N 3.33Å; K30-F33 PolarHBondContact O-N 3.41Å; K30-H34 PolarHBondContact O-CD2 2.89Å; K30-H34 VanDerWaalsContact O-CD2 3.24Å; K30-H34 PolarHBondContact O-N 3.4Å |
| 31 | A | 92.5 | Very high | 89.6 | Confident | 45 Ų | 45 | 77.8 Ų | 77.8 | 37% | 0.372 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.8 | -40.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | T28 H34 T35 | T28-A31 PolarHBondContact O-N 2.94Å; T28-A31 VanDerWaalsContact O-N 3.09Å; T28-A31 VanDerWaalsContact OG1-CB 3.24Å; T28-A31 WeakPolarHBondContact OG1-CB 3.35Å; T28-A31 PolarHBondContact OG1-N 3.3Å; A31-H34 PolarHBondContact O-N 2.94Å; A31-T35 WeakPolarHBondContact O-CB 3.48Å; A31-T35 PolarHBondContact O-N 3.47Å; A31-T35 PolarHBondContact O-OG1 3.48Å |
| 32 | L | 92.6 | Very high | 89.4 | Confident | 3 Ų | 3 | 76.7 Ų | 76.7 | 2% | 0.016 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -60.1 | -49.9 | 176.1 | -178 | 63.5 | 0 | 0 | 0 | 111.4 | V16 Q19 L20 V27 T28 S29 K30 H34 T35 L36 F48 I52 I68 | V16-L32 HydrophobicContact CG1-CD2 4.11Å; Q19-L32 HydrophobicContact CB-CD1 3.92Å; Q19-L32 HydrophobicContact CG-CD1 3.69Å; L20-L32 HydrophobicContact CD1-CD2 4.39Å; L20-L32 HydrophobicContact CD2-CD1 4.29Å; L20-L32 HydrophobicContact CD2-CD2 4.07Å; L20-L32 HydrophobicContact CG-CD1 4.38Å; L20-L32 HydrophobicContact CG-CD2 4.24Å; V27-L32 HydrophobicContact CG2-CB 4.21Å; V27-L32 HydrophobicContact CG2-CD1 4.48Å; T28-L32 PolarHBondContact O-N 2.86Å; S29-L32 PolarHBondContact O-N 3.26Å; K30-L32 VanDerWaalsContact C-N 3.33Å; L32-H34 PolarHBondContact O-N 3.46Å; L32-T35 WeakPolarHBondContact O-CB 3.39Å; L32-T35 PolarHBondContact O-N 3.28Å; L32-L36 HydrophobicContact CD1-CD1 4.3Å; L32-L36 HydrophobicContact CG-CD1 4.17Å; L32-L36 WeakPolarHBondContact O-CG 3.36Å; L32-L36 PolarHBondContact O-N 2.92Å; L32-F48 HydrophobicContact CB-CZ 4.38Å; L32-F48 HydrophobicContact CD2-CE2 3.94Å; L32-F48 HydrophobicContact CD2-CZ 3.99Å; L32-F48 HydrophobicContact CG-CE2 3.96Å; L32-F48 HydrophobicContact CG-CZ 4.17Å; L32-I52 HydrophobicContact CD2-CD1 4.2Å; L32-I68 HydrophobicContact CD2-CD1 4.26Å |
| 33 | F | 93.6 | Very high | 89.2 | Confident | 16 Ų | 16 | 72.8 Ų | 72.8 | 7% | 0.07 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -60 | -44.8 | 177 | 179.1 | -110.1 | 0 | 0 | 0 | 112.4 | S29 K30 T35 L36 K37 R45 F48 | S29-F33 WeakPolarHBondContact O-CB 3.5Å; S29-F33 PolarHBondContact O-N 3.22Å; K30-F33 PolarHBondContact O-N 3.41Å; F33-T35 VanDerWaalsContact C-N 3.28Å; F33-T35 PolarHBondContact O-N 3.08Å; F33-L36 PolarHBondContact O-N 3.14Å; F33-K37 HydrophobicContact CE1-CD 3.91Å; F33-K37 HydrophobicContact CZ-CD 3.96Å; F33-K37 VanDerWaalsContact O-CB 3.26Å; F33-K37 WeakPolarHBondContact O-CB 3.49Å; F33-K37 PolarHBondContact O-N 3.05Å; F33-R45 HydrophobicContact CE2-CB 4.23Å; F33-R45 HydrophobicContact CZ-CB 3.91Å; F33-F48 HydrophobicContact CB-CD1 4.12Å; F33-F48 HydrophobicContact CB-CE1 3.89Å; F33-F48 HydrophobicContact CB-CE2 4.3Å; F33-F48 HydrophobicContact CB-CG 4.42Å; F33-F48 HydrophobicContact CB-CZ 3.97Å; F33-F48 HydrophobicContact CD2-CB 3.69Å; F33-F48 AromaticContact CD2-CD1 3.77Å; F33-F48 HydrophobicContact CD2-CD1 3.77Å; F33-F48 HydrophobicContact CD2-CD2 4.03Å; F33-F48 HydrophobicContact CD2-CE1 4.39Å; F33-F48 AromaticContact CD2-CG 3.54Å; F33-F48 HydrophobicContact CD2-CG 3.54Å; F33-F48 HydrophobicContact CE2-CB 3.93Å; F33-F48 HydrophobicContact CE2-CG 4.29Å; F33-F48 HydrophobicContact CG-CD1 4.25Å; F33-F48 HydrophobicContact CG-CE1 4.5Å; F33-F48 HydrophobicContact CG-CG 4.39Å |
| 34 | H | 93.2 | Very high | 89.5 | Confident | 100 Ų | 100 | 77.1 Ų | 77.1 | 46% | 0.463 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.1 | -37.4 | 176.8 | -87.8 | -72.8 | 0 | 0 | 0 | 112.5 | K30 A31 L32 S38 | K30-H34 PolarHBondContact O-CD2 2.89Å; K30-H34 VanDerWaalsContact O-CD2 3.24Å; K30-H34 PolarHBondContact O-N 3.4Å; A31-H34 PolarHBondContact O-N 2.94Å; L32-H34 PolarHBondContact O-N 3.46Å; H34-S38 WeakPolarHBondContact O-CB 3.31Å; H34-S38 PolarHBondContact O-N 3.36Å; H34-S38 PolarHBondContact O-OG 2.91Å |
| 35 | T | 92.1 | Very high | 90 | Very high | 61 Ų | 61 | 72.2 Ų | 72.2 | 37% | 0.374 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.4 | -47.7 | 178.2 | -56 | 0 | 0 | 0 | 0 | 110.5 | Q19 A31 L32 F33 S38 A39 | Q19-T35 HydrophobicContact CG-CG2 4.3Å; A31-T35 WeakPolarHBondContact O-CB 3.48Å; A31-T35 PolarHBondContact O-N 3.47Å; A31-T35 PolarHBondContact O-OG1 3.48Å; L32-T35 WeakPolarHBondContact O-CB 3.39Å; L32-T35 PolarHBondContact O-N 3.28Å; F33-T35 VanDerWaalsContact C-N 3.28Å; F33-T35 PolarHBondContact O-N 3.08Å; T35-S38 PolarHBondContact O-N 2.84Å; T35-A39 PolarHBondContact O-N 3.08Å; T35-A39 VanDerWaalsContact O-N 3.13Å |
| 36 | L | 91.6 | Very high | 90.2 | Very high | 14 Ų | 14 | 77.6 Ų | 77.6 | 7% | 0.073 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63.3 | -44.7 | 177.6 | -66.6 | 170.5 | 0 | 0 | 0 | 111.6 | M12 A15 V16 Q19 L32 F33 S38 A39 D40 F48 | M12-L36 HydrophobicContact SD-CD1 4.08Å; A15-L36 HydrophobicContact CB-CD2 3.84Å; V16-L36 HydrophobicContact CG2-CD1 3.52Å; Q19-L36 HydrophobicContact CB-CD2 4.45Å; L32-L36 HydrophobicContact CD1-CD1 4.3Å; L32-L36 HydrophobicContact CG-CD1 4.17Å; L32-L36 WeakPolarHBondContact O-CG 3.36Å; L32-L36 PolarHBondContact O-N 2.92Å; F33-L36 PolarHBondContact O-N 3.14Å; L36-S38 VanDerWaalsContact C-N 3.26Å; L36-S38 PolarHBondContact O-N 3.39Å; L36-A39 PolarHBondContact O-N 3.13Å; L36-A39 VanDerWaalsContact O-N 3.12Å; L36-D40 PolarHBondContact O-N 3.03Å; L36-F48 HydrophobicContact CD1-CD2 3.87Å; L36-F48 HydrophobicContact CD1-CE2 3.78Å |
| 37 | K | 91.9 | Very high | 90.2 | Very high | 99 Ų | 99 | 75.4 Ų | 75.4 | 43% | 0.43 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.6 | -29.1 | 177.5 | -172 | 171.3 | -175.8 | 175.7 | 0 | 113.6 | F33 D40 C43 | F33-K37 HydrophobicContact CE1-CD 3.91Å; F33-K37 HydrophobicContact CZ-CD 3.96Å; F33-K37 VanDerWaalsContact O-CB 3.26Å; F33-K37 WeakPolarHBondContact O-CB 3.49Å; F33-K37 PolarHBondContact O-N 3.05Å; K37-D40 CarbonylContact C-O 3.53Å; K37-D40 WeakPolarHBondContact CA-O 3.41Å; K37-D40 CarbonylContact O-C 3.34Å; K37-C43 HydrophobicContact CB-CB 4.25Å |
| 38 | S | 89.5 | Confident | 90.2 | Very high | 101 Ų | 101 | 73.5 Ų | 73.5 | 71% | 0.706 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -74.3 | -33.8 | 175.3 | -57.8 | 0 | 0 | 0 | 0 | 111.6 | H34 T35 L36 | H34-S38 WeakPolarHBondContact O-CB 3.31Å; H34-S38 PolarHBondContact O-N 3.36Å; H34-S38 PolarHBondContact O-OG 2.91Å; T35-S38 PolarHBondContact O-N 2.84Å; L36-S38 VanDerWaalsContact C-N 3.26Å; L36-S38 PolarHBondContact O-N 3.39Å |
| 39 | A | 88 | Confident | 90.2 | Very high | 90 Ų | 90 | 73.8 Ų | 73.8 | 74% | 0.744 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -76.1 | -36.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | T35 L36 | T35-A39 PolarHBondContact O-N 3.08Å; T35-A39 VanDerWaalsContact O-N 3.13Å; L36-A39 PolarHBondContact O-N 3.13Å; L36-A39 VanDerWaalsContact O-N 3.12Å |
| 40 | D | 85.4 | Confident | 90.2 | Very high | 74 Ų | 74 | 76.5 Ų | 76.5 | 40% | 0.396 | 40% | 0.399 | S | S | . | . | trans | -139 | 111.2 | 178.9 | -180 | 0.3 | 0 | 0 | 0 | 111.2 | L36 K37 T42 C43 | L36-D40 PolarHBondContact O-N 3.03Å; K37-D40 CarbonylContact C-O 3.53Å; K37-D40 WeakPolarHBondContact CA-O 3.41Å; K37-D40 CarbonylContact O-C 3.34Å; D40-T42 PolarHBondContact O-N 3.4Å; D40-T42 WeakPolarHBondContact OD1-CB 3.26Å; D40-T42 PolarHBondContact OD1-N 2.68Å; D40-T42 PolarHBondContact OD1-OG1 3.28Å; D40-T42 PolarHBondContact OD2-OG1 2.95Å; D40-C43 VanDerWaalsContact O-CB 3.28Å; D40-C43 WeakPolarHBondContact O-CB 3.48Å; D40-C43 PolarHBondContact O-N 3.32Å; D40-C43 VanDerWaalsContact O-N 3.13Å; D40-C43 PolarHBondContact O-SG 3Å | ||
| 41 | K | 83.3 | Confident | 90.2 | Very high | 190 Ų | 190 | 69.6 Ų | 69.6 | 83% | 0.826 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -15.7 | -179 | -65.2 | -176.1 | -179.6 | 177.9 | 0 | 113.5 | C43 | K41-C43 VanDerWaalsContact C-N 3.25Š|
| 42 | T | 83.6 | Confident | 90.2 | Very high | 109 Ų | 109 | 67.6 Ų | 67.6 | 67% | 0.669 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -6.3 | 177 | 73.1 | 0 | 0 | 0 | 0 | 112.7 | D40 Q44 | D40-T42 PolarHBondContact O-N 3.4Å; D40-T42 WeakPolarHBondContact OD1-CB 3.26Å; D40-T42 PolarHBondContact OD1-N 2.68Å; D40-T42 PolarHBondContact OD1-OG1 3.28Å; D40-T42 PolarHBondContact OD2-OG1 2.95Å; T42-Q44 PolarHBondContact O-N 3.13Å |
| 43 | C | 84.5 | Confident | 90.3 | Very high | 12 Ų | 12 | 71.1 Ų | 71.1 | 8% | 0.081 | 37% | 0.371 | C | S | . | . | trans | -59.8 | 110.1 | 173.8 | -72.1 | 0 | 0 | 0 | 0 | 111.6 | M12 K37 D40 K41 | M12-C43 HydrophobicContact CE-CB 3.92Å; M12-C43 WeakPolarHBondContact CE-SG 3.4Å; K37-C43 HydrophobicContact CB-CB 4.25Å; D40-C43 VanDerWaalsContact O-CB 3.28Å; D40-C43 WeakPolarHBondContact O-CB 3.48Å; D40-C43 PolarHBondContact O-N 3.32Å; D40-C43 VanDerWaalsContact O-N 3.13Å; D40-C43 PolarHBondContact O-SG 3Å; K41-C43 VanDerWaalsContact C-N 3.25Å | ||
| 44 | Q | 90.1 | Very high | 90.2 | Very high | 118 Ų | 118 | 72.5 Ų | 72.5 | 55% | 0.551 | 38% | 0.378 | S | S | * | . | trans | -93.8 | 146.8 | 172.6 | -67 | -174.2 | -15.6 | 0 | 0 | 110.8 | T42 E46 V47 F48 | T42-Q44 PolarHBondContact O-N 3.13Å; Q44-E46 VanDerWaalsContact C-N 3.32Å; Q44-E46 PolarHBondContact O-N 3.44Å; Q44-V47 HydrophobicContact CB-CG2 4.15Å; Q44-V47 PolarHBondContact O-N 3.21Å; Q44-F48 PolarHBondContact O-N 3.03Å; Q44-F48 VanDerWaalsContact O-N 3.08Å | ||
| 45 | R | 89.3 | Confident | 90.2 | Very high | 117 Ų | 117 | 68 Ų | 68 | 44% | 0.442 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.9 | -39.5 | -177.8 | -178.5 | 56.6 | -176.8 | -109.2 | 0.8 | 112.1 | F33 F48 D49 | F33-R45 HydrophobicContact CE2-CB 4.23Å; F33-R45 HydrophobicContact CZ-CB 3.91Å; R45-F48 WeakPolarHBondContact O-CB 3.3Å; R45-F48 PolarHBondContact O-N 2.84Å; R45-D49 WeakPolarHBondContact CG-OD2 3.33Å; R45-D49 IonicContact CZ-OD1 3.71Å; R45-D49 IonicContact CZ-OD2 3.01Å; R45-D49 IonicContact NE-OD1 2.98Å; R45-D49 PolarHBondContact NE-OD1 2.87Å; R45-D49 IonicContact NE-OD2 3.47Å; R45-D49 PolarHBondContact NE-OD2 3.4Å; R45-D49 IonicContact NH2-OD1 3.58Å; R45-D49 PolarHBondContact O-N 3.43Å |
| 46 | E | 90.9 | Very high | 90.1 | Very high | 152 Ų | 152 | 67.3 Ų | 67.3 | 71% | 0.71 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -59.9 | -48.9 | 178.5 | -66.1 | 164.5 | -165.9 | 0 | 0 | 111.5 | Q44 F48 D49 E50 | Q44-E46 VanDerWaalsContact C-N 3.32Å; Q44-E46 PolarHBondContact O-N 3.44Å; E46-F48 VanDerWaalsContact C-N 3.31Å; E46-F48 PolarHBondContact O-N 3.44Å; E46-D49 PolarHBondContact O-N 3.24Å; E46-E50 WeakPolarHBondContact O-CB 3.27Å; E46-E50 PolarHBondContact O-N 3.32Å |
| 47 | V | 91.5 | Very high | 90.1 | Very high | 26 Ų | 26 | 74.9 Ų | 74.9 | 16% | 0.158 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.8 | -39.1 | 177.2 | -178.7 | 0 | 0 | 0 | 0 | 111.3 | A8 V9 M12 Q44 A51 | A8-V47 HydrophobicContact CB-CG1 4.15Å; V9-V47 HydrophobicContact CG2-CG1 3.99Å; M12-V47 HydrophobicContact CB-CG1 3.96Å; M12-V47 HydrophobicContact CE-CG1 4.29Å; M12-V47 HydrophobicContact CG-CG1 4.31Å; Q44-V47 HydrophobicContact CB-CG2 4.15Å; Q44-V47 PolarHBondContact O-N 3.21Å; V47-A51 WeakPolarHBondContact O-CB 3.43Å; V47-A51 PolarHBondContact O-N 3.13Å |
| 48 | F | 92.9 | Very high | 90 | Very high | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -64.2 | -49.1 | 175.1 | 171.5 | -97.9 | 0 | 0 | 0 | 112.3 | M12 V16 L32 F33 L36 Q44 R45 E46 E50 A51 I52 | M12-F48 HydrophobicContact CG-CB 4.5Å; M12-F48 HydrophobicContact SD-CB 4.35Å; M12-F48 HydrophobicContact SD-CD2 4.19Å; V16-F48 HydrophobicContact CG2-CD2 4.04Å; V16-F48 HydrophobicContact CG2-CE2 3.89Å; L32-F48 HydrophobicContact CB-CZ 4.38Å; L32-F48 HydrophobicContact CD2-CE2 3.94Å; L32-F48 HydrophobicContact CD2-CZ 3.99Å; L32-F48 HydrophobicContact CG-CE2 3.96Å; L32-F48 HydrophobicContact CG-CZ 4.17Å; F33-F48 HydrophobicContact CB-CD1 4.12Å; F33-F48 HydrophobicContact CB-CE1 3.89Å; F33-F48 HydrophobicContact CB-CE2 4.3Å; F33-F48 HydrophobicContact CB-CG 4.42Å; F33-F48 HydrophobicContact CB-CZ 3.97Å; F33-F48 HydrophobicContact CD2-CB 3.69Å; F33-F48 AromaticContact CD2-CD1 3.77Å; F33-F48 HydrophobicContact CD2-CD1 3.77Å; F33-F48 HydrophobicContact CD2-CD2 4.03Å; F33-F48 HydrophobicContact CD2-CE1 4.39Å; F33-F48 AromaticContact CD2-CG 3.54Å; F33-F48 HydrophobicContact CD2-CG 3.54Å; F33-F48 HydrophobicContact CE2-CB 3.93Å; F33-F48 HydrophobicContact CE2-CG 4.29Å; F33-F48 HydrophobicContact CG-CD1 4.25Å; F33-F48 HydrophobicContact CG-CE1 4.5Å; F33-F48 HydrophobicContact CG-CG 4.39Å; L36-F48 HydrophobicContact CD1-CD2 3.87Å; L36-F48 HydrophobicContact CD1-CE2 3.78Å; Q44-F48 PolarHBondContact O-N 3.03Å; Q44-F48 VanDerWaalsContact O-N 3.08Å; R45-F48 WeakPolarHBondContact O-CB 3.3Å; R45-F48 PolarHBondContact O-N 2.84Å; E46-F48 VanDerWaalsContact C-N 3.31Å; E46-F48 PolarHBondContact O-N 3.44Å; F48-E50 VanDerWaalsContact C-N 3.28Å; F48-E50 PolarHBondContact O-N 2.89Å; F48-A51 PolarHBondContact O-N 2.95Å; F48-I52 HydrophobicContact CD1-CG1 4.34Å; F48-I52 HydrophobicContact CD2-CG1 4.41Å; F48-I52 HydrophobicContact CE1-CG1 3.91Å; F48-I52 HydrophobicContact CE2-CD1 3.96Å; F48-I52 HydrophobicContact CE2-CG1 3.97Å; F48-I52 HydrophobicContact CZ-CD1 3.96Å; F48-I52 HydrophobicContact CZ-CG1 3.71Å; F48-I52 WeakPolarHBondContact O-CG1 3.41Å; F48-I52 PolarHBondContact O-N 3.34Å |
| 49 | D | 92.5 | Very high | 89.9 | Confident | 59 Ų | 59 | 77.8 Ų | 77.8 | 32% | 0.316 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.8 | -37 | -179.5 | -69.9 | -29.2 | 0 | 0 | 0 | 110.8 | R45 E46 I52 N53 | R45-D49 WeakPolarHBondContact CG-OD2 3.33Å; R45-D49 IonicContact CZ-OD1 3.71Å; R45-D49 IonicContact CZ-OD2 3.01Å; R45-D49 IonicContact NE-OD1 2.98Å; R45-D49 PolarHBondContact NE-OD1 2.87Å; R45-D49 IonicContact NE-OD2 3.47Å; R45-D49 PolarHBondContact NE-OD2 3.4Å; R45-D49 IonicContact NH2-OD1 3.58Å; R45-D49 PolarHBondContact O-N 3.43Å; E46-D49 PolarHBondContact O-N 3.24Å; D49-I52 PolarHBondContact O-N 3.42Å; D49-N53 VanDerWaalsContact O-CG 3.24Å; D49-N53 PolarHBondContact O-N 3Å; D49-N53 PolarHBondContact O-ND2 3.17Å |
| 50 | E | 92.3 | Very high | 90 | Very high | 75 Ų | 75 | 74.9 Ų | 74.9 | 35% | 0.35 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.1 | -44.2 | 173.5 | -167.9 | 159.8 | -155 | 0 | 0 | 112.2 | M1 V9 E46 F48 I52 N53 E54 | M1-E50 WeakPolarHBondContact CE-OE1 3.42Å; V9-E50 HydrophobicContact CG1-CG 4.22Å; V9-E50 HydrophobicContact CG2-CB 4.26Å; V9-E50 HydrophobicContact CG2-CG 4.09Å; E46-E50 WeakPolarHBondContact O-CB 3.27Å; E46-E50 PolarHBondContact O-N 3.32Å; F48-E50 VanDerWaalsContact C-N 3.28Å; F48-E50 PolarHBondContact O-N 2.89Å; E50-I52 PolarHBondContact O-N 3.42Å; E50-N53 WeakPolarHBondContact O-CB 3.31Å; E50-N53 PolarHBondContact O-N 3.35Å; E50-N53 VanDerWaalsContact O-N 3.14Å; E50-E54 PolarHBondContact O-N 3.05Å |
| 51 | A | 92.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.8 | -43.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | V9 M12 C13 V47 F48 N53 E54 L55 | V9-A51 HydrophobicContact CG1-CB 4.32Å; M12-A51 HydrophobicContact CB-CB 3.85Å; M12-A51 HydrophobicContact CG-CB 3.51Å; C13-A51 VanDerWaalsContact SG-CB 3.59Å; V47-A51 WeakPolarHBondContact O-CB 3.43Å; V47-A51 PolarHBondContact O-N 3.13Å; F48-A51 PolarHBondContact O-N 2.95Å; A51-N53 VanDerWaalsContact C-N 3.29Å; A51-N53 PolarHBondContact O-N 3.24Å; A51-E54 PolarHBondContact O-N 3.47Å; A51-L55 WeakPolarHBondContact O-CB 3.34Å; A51-L55 VanDerWaalsContact O-CG 3.27Å; A51-L55 WeakPolarHBondContact O-CG 3.21Å; A51-L55 PolarHBondContact O-N 3.19Å |
| 52 | I | 93.6 | Very high | 90.8 | Very high | 4 Ų | 4 | 63.4 Ų | 63.4 | 2% | 0.021 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.1 | -41.5 | 174.2 | -66.4 | -50.5 | 0 | 0 | 0 | 111 | V16 L32 F48 D49 E50 S56 I61 I68 | V16-I52 HydrophobicContact CG1-CD1 3.76Å; V16-I52 HydrophobicContact CG2-CD1 4.1Å; L32-I52 HydrophobicContact CD2-CD1 4.2Å; F48-I52 HydrophobicContact CD1-CG1 4.34Å; F48-I52 HydrophobicContact CD2-CG1 4.41Å; F48-I52 HydrophobicContact CE1-CG1 3.91Å; F48-I52 HydrophobicContact CE2-CD1 3.96Å; F48-I52 HydrophobicContact CE2-CG1 3.97Å; F48-I52 HydrophobicContact CZ-CD1 3.96Å; F48-I52 HydrophobicContact CZ-CG1 3.71Å; F48-I52 WeakPolarHBondContact O-CG1 3.41Å; F48-I52 PolarHBondContact O-N 3.34Å; D49-I52 PolarHBondContact O-N 3.42Å; E50-I52 PolarHBondContact O-N 3.42Å; I52-S56 VanDerWaalsContact O-CB 3.27Å; I52-S56 WeakPolarHBondContact O-CB 3.49Å; I52-S56 PolarHBondContact O-N 3.25Å; I52-I61 HydrophobicContact CD1-CD1 4.12Å; I52-I61 HydrophobicContact CG2-CD1 3.97Å; I52-I68 HydrophobicContact CD1-CD1 3.8Å; I52-I68 HydrophobicContact CG1-CD1 4.07Å; I52-I68 HydrophobicContact CG2-CD1 3.99Å |
| 53 | N | 92.8 | Very high | 91.1 | Very high | 77 Ų | 77 | 64 Ų | 64 | 41% | 0.412 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.7 | -40.5 | 177.9 | -70.6 | -28.7 | 0 | 0 | 0 | 111.9 | D49 E50 A51 S56 K57 R63 | D49-N53 VanDerWaalsContact O-CG 3.24Å; D49-N53 PolarHBondContact O-N 3Å; D49-N53 PolarHBondContact O-ND2 3.17Å; E50-N53 WeakPolarHBondContact O-CB 3.31Å; E50-N53 PolarHBondContact O-N 3.35Å; E50-N53 VanDerWaalsContact O-N 3.14Å; A51-N53 VanDerWaalsContact C-N 3.29Å; A51-N53 PolarHBondContact O-N 3.24Å; N53-S56 PolarHBondContact O-N 3.32Å; N53-K57 VanDerWaalsContact O-CG 3.31Å; N53-K57 WeakPolarHBondContact O-CG 3.02Å; N53-K57 PolarHBondContact O-N 2.84Å; N53-K57 VanDerWaalsContact O-N 3.08Å; N53-R63 PolarHBondContact OD1-NH1 3.29Å; N53-R63 VanDerWaalsContact OD1-NH1 3.14Å |
| 54 | E | 92.5 | Very high | 91.3 | Very high | 45 Ų | 45 | 66.8 Ų | 66.8 | 21% | 0.21 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.3 | -48 | 174.5 | -75.4 | -157 | 178.3 | 0 | 0 | 112.5 | V9 E50 A51 S56 K57 K58 | V9-E54 HydrophobicContact CG1-CG 4.31Å; E50-E54 PolarHBondContact O-N 3.05Å; A51-E54 PolarHBondContact O-N 3.47Å; E54-S56 VanDerWaalsContact C-N 3.26Å; E54-S56 PolarHBondContact O-N 3.04Å; E54-K57 WeakPolarHBondContact O-CB 3.33Å; E54-K57 PolarHBondContact O-N 3.42Å; E54-K57 VanDerWaalsContact O-N 3.13Å; E54-K58 WeakPolarHBondContact O-CG 3.47Å; E54-K58 PolarHBondContact O-N 2.84Å; E54-K58 IonicContact OE2-NZ 3.96Å; E54-K58 PolarHBondContact OE2-NZ 3.11Å |
| 55 | L | 92.3 | Very high | 91.3 | Very high | 4 Ų | 4 | 64.6 Ų | 64.6 | 2% | 0.021 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.2 | -35.1 | 179.1 | -70.1 | 177.2 | 0 | 0 | 0 | 112.1 | C13 V16 L17 A51 K58 E59 S60 I61 | C13-L55 HydrophobicContact CB-CD1 4.38Å; C13-L55 HydrophobicContact CB-CD2 3.94Å; C13-L55 HydrophobicContact CB-CG 4.14Å; V16-L55 HydrophobicContact CB-CD1 3.84Å; V16-L55 HydrophobicContact CG1-CD1 3.43Å; V16-L55 VanDerWaalsContact CG1-CD1 3.43Å; L17-L55 HydrophobicContact CD1-CD2 3.64Å; L17-L55 HydrophobicContact CD2-CD1 4.02Å; L17-L55 HydrophobicContact CD2-CD2 3.91Å; L17-L55 HydrophobicContact CG-CD1 3.94Å; L17-L55 HydrophobicContact CG-CD2 3.7Å; L17-L55 HydrophobicContact CG-CG 4.48Å; A51-L55 WeakPolarHBondContact O-CB 3.34Å; A51-L55 VanDerWaalsContact O-CG 3.27Å; A51-L55 WeakPolarHBondContact O-CG 3.21Å; A51-L55 PolarHBondContact O-N 3.19Å; L55-K58 PolarHBondContact O-N 3.12Å; L55-E59 PolarHBondContact O-N 3.08Å; L55-S60 PolarHBondContact O-N 3.28Å; L55-I61 HydrophobicContact CB-CD1 3.66Å; L55-I61 HydrophobicContact CB-CG1 3.8Å; L55-I61 HydrophobicContact CB-CG2 4.13Å; L55-I61 HydrophobicContact CD1-CD1 4.49Å; L55-I61 HydrophobicContact CD1-CG2 4.27Å |
| 56 | S | 91.1 | Very high | 91.3 | Very high | 48 Ų | 48 | 63.9 Ų | 63.9 | 34% | 0.336 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -67.7 | -35.9 | 174.9 | -169.8 | 0 | 0 | 0 | 0 | 112 | I52 N53 E54 K58 E59 | I52-S56 VanDerWaalsContact O-CB 3.27Å; I52-S56 WeakPolarHBondContact O-CB 3.49Å; I52-S56 PolarHBondContact O-N 3.25Å; N53-S56 PolarHBondContact O-N 3.32Å; E54-S56 VanDerWaalsContact C-N 3.26Å; E54-S56 PolarHBondContact O-N 3.04Å; S56-K58 VanDerWaalsContact C-N 3.34Å; S56-E59 PolarHBondContact O-N 3.44Å |
| 57 | K | 90.7 | Very high | 91.4 | Very high | 173 Ų | 173 | 62 Ų | 62 | 75% | 0.752 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -70 | -32.3 | 175.1 | -72.8 | 171.3 | -177.6 | 178.1 | 0 | 112.4 | N53 E54 E59 | N53-K57 VanDerWaalsContact O-CG 3.31Å; N53-K57 WeakPolarHBondContact O-CG 3.02Å; N53-K57 PolarHBondContact O-N 2.84Å; N53-K57 VanDerWaalsContact O-N 3.08Å; E54-K57 WeakPolarHBondContact O-CB 3.33Å; E54-K57 PolarHBondContact O-N 3.42Å; E54-K57 VanDerWaalsContact O-N 3.13Å; K57-E59 PolarHBondContact O-N 3.22Å |
| 58 | K | 90.4 | Very high | 91.6 | Very high | 120 Ų | 120 | 60.9 Ų | 60.9 | 52% | 0.522 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 7 | 175.9 | -65.9 | 172.9 | -178 | 166.4 | 0 | 112.9 | E54 L55 S56 S60 | E54-K58 WeakPolarHBondContact O-CG 3.47Å; E54-K58 PolarHBondContact O-N 2.84Å; E54-K58 IonicContact OE2-NZ 3.96Å; E54-K58 PolarHBondContact OE2-NZ 3.11Å; L55-K58 PolarHBondContact O-N 3.12Å; S56-K58 VanDerWaalsContact C-N 3.34Å; K58-S60 PolarHBondContact O-N 3.47Å; K58-S60 PolarHBondContact O-OG 3.45Å |
| 59 | E | 88.4 | Confident | 91.6 | Very high | 140 Ų | 140 | 66 Ų | 66 | 65% | 0.654 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 19 | -177.6 | -55.2 | -169.3 | 145.6 | 0 | 0 | 114.7 | L55 S56 K57 I61 | L55-E59 PolarHBondContact O-N 3.08Å; S56-E59 PolarHBondContact O-N 3.44Å; K57-E59 PolarHBondContact O-N 3.22Å; E59-I61 VanDerWaalsContact C-N 3.29Å; E59-I61 PolarHBondContact O-N 2.84Å |
| 60 | S | 90 | Very high | 91.5 | Very high | 29 Ų | 29 | 65.7 Ų | 65.7 | 20% | 0.203 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -80.3 | -13.8 | -178.2 | -47.8 | 0 | 0 | 0 | 0 | 112.6 | L55 K58 F70 Q71 | L55-S60 PolarHBondContact O-N 3.28Å; K58-S60 PolarHBondContact O-N 3.47Å; K58-S60 PolarHBondContact O-OG 3.45Å; S60-F70 WeakPolarHBondContact O-CD2 3.32Å; S60-Q71 PolarHBondContact O-N 3.15Å |
| 61 | I | 92.9 | Very high | 91.3 | Very high | 4 Ų | 4 | 65.7 Ų | 65.7 | 2% | 0.021 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 147.7 | 176.9 | 65.6 | 175.2 | 0 | 0 | 0 | 110.2 | L17 L20 I52 L55 E59 I68 R69 | L17-I61 HydrophobicContact CD2-CG2 3.86Å; L20-I61 HydrophobicContact CD1-CB 4.38Å; L20-I61 HydrophobicContact CD1-CG2 3.48Å; L20-I61 VanDerWaalsContact CD1-CG2 3.48Å; I52-I61 HydrophobicContact CD1-CD1 4.12Å; I52-I61 HydrophobicContact CG2-CD1 3.97Å; L55-I61 HydrophobicContact CB-CD1 3.66Å; L55-I61 HydrophobicContact CB-CG1 3.8Å; L55-I61 HydrophobicContact CB-CG2 4.13Å; L55-I61 HydrophobicContact CD1-CD1 4.49Å; L55-I61 HydrophobicContact CD1-CG2 4.27Å; E59-I61 VanDerWaalsContact C-N 3.29Å; E59-I61 PolarHBondContact O-N 2.84Å; I61-I68 HydrophobicContact CB-CG2 4.09Å; I61-I68 HydrophobicContact CD1-CG2 3.82Å; I61-I68 HydrophobicContact CG1-CG2 4.39Å; I61-I68 HydrophobicContact CG2-CG2 4.5Å; I61-R69 VanDerWaalsContact CA-O 3.27Å; I61-R69 WeakPolarHBondContact CA-O 3.43Å; I61-R69 WeakPolarHBondContact CB-O 3.41Å |
| 62 | A | 91.4 | Very high | 90.2 | Very high | 19 Ų | 19 | 70.5 Ų | 70.5 | 16% | 0.157 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 135.1 | 170 | 0 | 0 | 0 | 0 | 0 | 110.2 | I68 R69 | A62-I68 WeakPolarHBondContact O-CA 3.34Å; A62-R69 HydrophobicContact CB-CG 3.81Å; A62-R69 PolarHBondContact N-O 3.04Å; A62-R69 PolarHBondContact O-N 2.69Å |
| 63 | R | 90.7 | Very high | 88.5 | Confident | 121 Ų | 121 | 78.9 Ų | 78.9 | 46% | 0.457 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 136.7 | 175.7 | -63.3 | 178.4 | 65.8 | 172.6 | 1 | 110.3 | N53 R67 | N53-R63 PolarHBondContact OD1-NH1 3.29Å; N53-R63 VanDerWaalsContact OD1-NH1 3.14Å; R63-R67 CarbonylContact C-O 3.6Å; R63-R67 WeakPolarHBondContact CA-O 3.46Å |
| 64 | S | 88.8 | Confident | 86.2 | Confident | 72 Ų | 72 | 83.5 Ų | 83.5 | 50% | 0.503 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 96.4 | 173 | -176.7 | 0 | 0 | 0 | 0 | 107.8 | D66 R67 | S64-D66 PolarHBondContact O-N 3.47Å; S64-R67 PolarHBondContact N-O 3.43Å; S64-R67 WeakPolarHBondContact O-CB 3.3Å; S64-R67 PolarHBondContact O-N 3Å |
| 65 | G | 88.8 | Confident | 85.9 | Confident | 72 Ų | 72 | 85.5 Ų | 85.5 | 74% | 0.742 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | -120.5 | -170 | 0 | 0 | 0 | 0 | 0 | 112 | R67 | G65-R67 VanDerWaalsContact C-N 3.33Š|
| 66 | D | 90.9 | Very high | 85.5 | Confident | 102 Ų | 102 | 89.7 Ų | 89.7 | 55% | 0.545 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -5 | 176.8 | 74.6 | -44.7 | 0 | 0 | 0 | 113.4 | T28 S29 S64 | T28-D66 CarbonylContact C-O 3.59Å; T28-D66 WeakPolarHBondContact CG2-OD2 3.28Å; S29-D66 WeakPolarHBondContact CB-O 3.45Å; S29-D66 PolarHBondContact N-O 2.97Å; S64-D66 PolarHBondContact O-N 3.47Å |
| 67 | R | 92.9 | Very high | 85.2 | Confident | 113 Ų | 113 | 92.1 Ų | 92.1 | 43% | 0.426 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 142 | -177.1 | -69.9 | 169.5 | 50 | 160.4 | -6.7 | 111.9 | F26 V27 T28 R63 S64 G65 | F26-R67 HydrophobicContact CB-CB 4.09Å; F26-R67 HydrophobicContact CD1-CB 3.76Å; F26-R67 HydrophobicContact CG-CB 4.27Å; F26-R67 VanDerWaalsContact CG-NH2 3.28Å; V27-R67 CarbonylContact O-C 3.58Å; V27-R67 WeakPolarHBondContact O-CA 3.48Å; T28-R67 HydrophobicContact CG2-CG 4.33Å; R63-R67 CarbonylContact C-O 3.6Å; R63-R67 WeakPolarHBondContact CA-O 3.46Å; S64-R67 PolarHBondContact N-O 3.43Å; S64-R67 WeakPolarHBondContact O-CB 3.3Å; S64-R67 PolarHBondContact O-N 3Å; G65-R67 VanDerWaalsContact C-N 3.33Å |
| 68 | I | 94.1 | Very high | 84.9 | Confident | 1 Ų | 1 | 87.3 Ų | 87.3 | 1% | 0.005 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 136.8 | -178.1 | -50.3 | 179.9 | 0 | 0 | 0 | 108 | L20 F26 V27 L32 I52 I61 A62 | L20-I68 HydrophobicContact CD1-CG2 3.72Å; L20-I68 HydrophobicContact CD2-CG2 4.24Å; F26-I68 WeakPolarHBondContact CA-O 3.5Å; V27-I68 WeakPolarHBondContact CG2-O 3.5Å; V27-I68 PolarHBondContact N-O 3.13Å; V27-I68 PolarHBondContact O-N 3.41Å; L32-I68 HydrophobicContact CD2-CD1 4.26Å; I52-I68 HydrophobicContact CD1-CD1 3.8Å; I52-I68 HydrophobicContact CG1-CD1 4.07Å; I52-I68 HydrophobicContact CG2-CD1 3.99Å; I61-I68 HydrophobicContact CB-CG2 4.09Å; I61-I68 HydrophobicContact CD1-CG2 3.82Å; I61-I68 HydrophobicContact CG1-CG2 4.39Å; I61-I68 HydrophobicContact CG2-CG2 4.5Å; A62-I68 WeakPolarHBondContact O-CA 3.34Å |
| 69 | R | 93.2 | Very high | 84.5 | Confident | 107 Ų | 107 | 85.3 Ų | 85.3 | 40% | 0.404 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 155.8 | 169.7 | 67.2 | 169.5 | -169.3 | 154.1 | 6.8 | 110.8 | G25 F26 I61 A62 | G25-R69 WeakPolarHBondContact O-CB 3.36Å; F26-R69 HydrophobicContact CD1-CB 3.79Å; F26-R69 HydrophobicContact CD1-CG 3.87Å; F26-R69 HydrophobicContact CD2-CB 4.43Å; F26-R69 HydrophobicContact CD2-CG 4.48Å; F26-R69 HydrophobicContact CE1-CB 4.1Å; F26-R69 HydrophobicContact CE1-CG 3.63Å; F26-R69 HydrophobicContact CE2-CG 4.3Å; F26-R69 HydrophobicContact CG-CB 3.99Å; F26-R69 HydrophobicContact CG-CG 4.31Å; F26-R69 HydrophobicContact CZ-CG 3.87Å; I61-R69 VanDerWaalsContact CA-O 3.27Å; I61-R69 WeakPolarHBondContact CA-O 3.43Å; I61-R69 WeakPolarHBondContact CB-O 3.41Å; A62-R69 HydrophobicContact CB-CG 3.81Å; A62-R69 PolarHBondContact N-O 3.04Å; A62-R69 PolarHBondContact O-N 2.69Å |
| 70 | F | 91.9 | Very high | 84.3 | Confident | 54 Ų | 54 | 81.6 Ų | 81.6 | 24% | 0.237 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 137.6 | 166.8 | -172.8 | -123.8 | 0 | 0 | 0 | 109.7 | L17 L20 K21 S60 T72 | L17-F70 HydrophobicContact CD2-CD2 3.8Å; L17-F70 HydrophobicContact CD2-CE2 3.81Å; L20-F70 HydrophobicContact CB-CB 3.86Å; K21-F70 HydrophobicContact CD-CE1 4.32Å; K21-F70 HydrophobicContact CD-CE2 4.47Å; K21-F70 HydrophobicContact CD-CZ 4.2Å; K21-F70 HydrophobicContact CG-CD1 3.68Å; K21-F70 HydrophobicContact CG-CD2 4.04Å; K21-F70 HydrophobicContact CG-CE1 3.66Å; K21-F70 HydrophobicContact CG-CE2 4.07Å; K21-F70 HydrophobicContact CG-CG 3.88Å; K21-F70 HydrophobicContact CG-CZ 3.9Å; S60-F70 WeakPolarHBondContact O-CD2 3.32Å; F70-T72 HydrophobicContact CD1-CG2 4Å; F70-T72 HydrophobicContact CE1-CG2 3.44Å; F70-T72 VanDerWaalsContact CE1-CG2 3.44Å; F70-T72 HydrophobicContact CZ-CG2 4.32Å |
| 71 | Q | 87.4 | Confident | 83.9 | Confident | 74 Ų | 74 | 85.4 Ų | 85.4 | 35% | 0.346 | 48% | 0.482 | S | S | . | . | trans | -114.4 | 108.7 | 171.6 | -176.4 | 166.1 | -13.6 | 0 | 0 | 106.7 | S60 | S60-Q71 PolarHBondContact O-N 3.15Š| ||
| 72 | T | 69.6 | Low | 83.2 | Confident | 102 Ų | 102 | 91.6 Ų | 91.6 | 63% | 0.626 | 52% | 0.518 | S | S | * | . | trans | -68.3 | 128.8 | 165.3 | 33.5 | 0 | 0 | 0 | 0 | 107.9 | F70 A74 | F70-T72 HydrophobicContact CD1-CG2 4Å; F70-T72 HydrophobicContact CE1-CG2 3.44Å; F70-T72 VanDerWaalsContact CE1-CG2 3.44Å; F70-T72 HydrophobicContact CZ-CG2 4.32Å; T72-A74 PolarHBondContact O-N 3.21Å | ||
| 73 | E | 57.3 | Low | 82.5 | Confident | 180 Ų | 180 | 97.7 Ų | 97.7 | 84% | 0.841 | 55% | 0.548 | S | S | * | . | trans | -49.7 | 126 | 159.1 | -70.2 | 177.7 | 166 | 0 | 0 | 107.3 | ||||
| 74 | A | 44.3 | Very low | 81.7 | Confident | 174 Ų | 174 | 95.5 Ų | 95.5 | 100% | 1.438 | 56% | 0.556 | S | S | * | * | trans | -78 | 0 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | T72 | T72-A74 PolarHBondContact O-N 3.21Š|
Retrieved 74 of 74 residues in 49.4 ms
(Link to these results)