| 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 | 56.4 | Low | 64.8 | Low | 203 Ų | 203 | 131.7 Ų | 131.7 | 100% | 1 | 66% | 0.663 | S | S | * | * | 0 | -36.9 | 0 | -80.8 | -70.9 | -97.7 | 0 | 0 | 111.9 | R3 Y4 | M1-R3 PolarHBondContact O-N 3.3Å; M1-Y4 PolarHBondContact O-N 2.85Å | |||
| 2 | E | 55.8 | Low | 65.7 | Low | 177 Ų | 177 | 123.9 Ų | 123.9 | 83% | 0.827 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -64.3 | -35.3 | -178.5 | -67.8 | 156.2 | 146.6 | 0 | 0 | 114.9 | Y4 A5 G6 | E2-Y4 VanDerWaalsContact C-N 3.28Å; E2-Y4 PolarHBondContact O-N 3.34Å; E2-A5 PolarHBondContact O-N 3.14Å; E2-G6 PolarHBondContact O-N 3.05Å |
| 3 | R | 62.4 | Low | 66.8 | Low | 233 Ų | 233 | 119.8 Ų | 119.8 | 88% | 0.879 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -63.8 | -28.3 | 176.6 | -86.3 | -175.4 | 166.3 | 176.8 | -4.3 | 114.7 | M1 A7 | M1-R3 PolarHBondContact O-N 3.3Å; R3-A7 PolarHBondContact O-N 3.35Å |
| 4 | Y | 61.9 | Low | 68.1 | Low | 178 Ų | 178 | 114 Ų | 114 | 70% | 0.698 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -80.2 | -31 | 177.5 | -73.8 | -80.3 | 0 | 0 | 0 | 111.7 | M1 E2 L8 | M1-Y4 PolarHBondContact O-N 2.85Å; E2-Y4 VanDerWaalsContact C-N 3.28Å; E2-Y4 PolarHBondContact O-N 3.34Å; Y4-L8 WeakPolarHBondContact O-CG 3.4Å; Y4-L8 PolarHBondContact O-N 3.28Å |
| 5 | A | 64.6 | Low | 69.3 | Low | 59 Ų | 59 | 110.3 Ų | 110.3 | 49% | 0.488 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -65.8 | -46.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | E2 A7 L8 E9 | E2-A5 PolarHBondContact O-N 3.14Å; A5-A7 PolarHBondContact O-N 3.14Å; A5-L8 PolarHBondContact O-N 3.08Å; A5-E9 PolarHBondContact O-N 3.17Å |
| 6 | G | 67.8 | Low | 70.6 | Confident | 33 Ų | 33 | 112.3 Ų | 112.3 | 34% | 0.34 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.7 | -36 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | E2 L8 E9 E10 | E2-G6 PolarHBondContact O-N 3.05Å; G6-L8 VanDerWaalsContact C-N 3.35Å; G6-L8 PolarHBondContact O-N 3.49Å; G6-E9 PolarHBondContact O-N 3.08Å; G6-E10 VanDerWaalsContact O-CG 3.3Å; G6-E10 WeakPolarHBondContact O-CG 3.33Å; G6-E10 PolarHBondContact O-N 2.89Å |
| 7 | A | 67.9 | Low | 71.7 | Confident | 55 Ų | 55 | 112.5 Ų | 112.5 | 46% | 0.455 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -68 | -32.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | R3 A5 V11 | R3-A7 PolarHBondContact O-N 3.35Å; A5-A7 PolarHBondContact O-N 3.14Å; A7-V11 VanDerWaalsContact O-CG2 3.23Å; A7-V11 WeakPolarHBondContact O-CG2 3.49Å; A7-V11 PolarHBondContact O-N 3.3Å |
| 8 | L | 66.3 | Low | 72.8 | Confident | 128 Ų | 128 | 111.4 Ų | 111.4 | 67% | 0.67 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -73.6 | -33.5 | 174.9 | -71 | 172 | 0 | 0 | 0 | 112 | Y4 A5 G6 A12 | Y4-L8 WeakPolarHBondContact O-CG 3.4Å; Y4-L8 PolarHBondContact O-N 3.28Å; A5-L8 PolarHBondContact O-N 3.08Å; G6-L8 VanDerWaalsContact C-N 3.35Å; G6-L8 PolarHBondContact O-N 3.49Å; L8-A12 WeakPolarHBondContact O-CB 3.36Å; L8-A12 PolarHBondContact O-N 2.72Å |
| 9 | E | 67.6 | Low | 74 | Confident | 127 Ų | 127 | 111.6 Ų | 111.6 | 59% | 0.593 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -68.5 | -46.4 | 176.6 | -168.8 | 164.8 | -165.6 | 0 | 0 | 111.7 | A5 G6 V11 A12 D13 | A5-E9 PolarHBondContact O-N 3.17Å; G6-E9 PolarHBondContact O-N 3.08Å; E9-V11 VanDerWaalsContact C-N 3.31Å; E9-V11 PolarHBondContact O-N 3.49Å; E9-A12 WeakPolarHBondContact O-CB 3.44Å; E9-A12 PolarHBondContact O-N 2.87Å; E9-A12 VanDerWaalsContact O-N 3.07Å; E9-D13 PolarHBondContact O-N 3.35Å |
| 10 | E | 69.7 | Low | 75.1 | Confident | 151 Ų | 151 | 113.7 Ų | 113.7 | 71% | 0.706 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -58 | -41.2 | 173.8 | -72.2 | -83.6 | 142.4 | 0 | 0 | 112.5 | G6 D13 G14 | G6-E10 VanDerWaalsContact O-CG 3.3Å; G6-E10 WeakPolarHBondContact O-CG 3.33Å; G6-E10 PolarHBondContact O-N 2.89Å; E10-D13 PolarHBondContact O-N 3.23Å; E10-G14 PolarHBondContact O-N 2.95Å |
| 11 | V | 72.8 | Confident | 76.1 | Confident | 105 Ų | 105 | 108.8 Ų | 108.8 | 64% | 0.636 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -67.7 | -38.6 | 175.8 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | A7 E9 A15 | A7-V11 VanDerWaalsContact O-CG2 3.23Å; A7-V11 WeakPolarHBondContact O-CG2 3.49Å; A7-V11 PolarHBondContact O-N 3.3Å; E9-V11 VanDerWaalsContact C-N 3.31Å; E9-V11 PolarHBondContact O-N 3.49Å; V11-A15 WeakPolarHBondContact O-CB 3.49Å; V11-A15 PolarHBondContact O-N 3.01Å |
| 12 | A | 74.9 | Confident | 78 | Confident | 38 Ų | 38 | 105.5 Ų | 105.5 | 31% | 0.314 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.6 | -38.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L8 E9 A15 R16 | L8-A12 WeakPolarHBondContact O-CB 3.36Å; L8-A12 PolarHBondContact O-N 2.72Å; E9-A12 WeakPolarHBondContact O-CB 3.44Å; E9-A12 PolarHBondContact O-N 2.87Å; E9-A12 VanDerWaalsContact O-N 3.07Å; A12-A15 PolarHBondContact O-N 3.18Å; A12-R16 VanDerWaalsContact O-CG 3.28Å; A12-R16 WeakPolarHBondContact O-CG 3.37Å; A12-R16 PolarHBondContact O-N 3.42Å |
| 13 | D | 80.8 | Confident | 80 | Confident | 70 Ų | 70 | 102.4 Ų | 102.4 | 37% | 0.374 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -71 | -39.8 | 177 | -74.3 | -22 | 0 | 0 | 0 | 112 | E9 E10 A15 R16 Q17 | E9-D13 PolarHBondContact O-N 3.35Å; E10-D13 PolarHBondContact O-N 3.23Å; D13-A15 VanDerWaalsContact C-N 3.31Å; D13-A15 PolarHBondContact O-N 3.16Å; D13-R16 PolarHBondContact O-N 3.26Å; D13-R16 IonicContact OD1-CZ 3.8Å; D13-R16 IonicContact OD1-NH1 2.9Å; D13-R16 PolarHBondContact OD1-NH1 3.29Å; D13-Q17 WeakPolarHBondContact O-CB 3.26Å; D13-Q17 PolarHBondContact O-N 3.01Å |
| 14 | G | 84.1 | Confident | 81.6 | Confident | 39 Ų | 39 | 93.9 Ų | 93.9 | 40% | 0.402 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -58.2 | -42.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E10 Q17 Q18 | E10-G14 PolarHBondContact O-N 2.95Å; G14-Q17 PolarHBondContact O-N 3.15Å; G14-Q18 WeakPolarHBondContact O-CB 3.36Å; G14-Q18 PolarHBondContact O-N 2.86Å |
| 15 | A | 87.2 | Confident | 83.3 | Confident | 58 Ų | 58 | 85.7 Ų | 85.7 | 48% | 0.479 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.1 | -42 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V11 A12 D13 Q18 E19 | V11-A15 WeakPolarHBondContact O-CB 3.49Å; V11-A15 PolarHBondContact O-N 3.01Å; A12-A15 PolarHBondContact O-N 3.18Å; D13-A15 VanDerWaalsContact C-N 3.31Å; D13-A15 PolarHBondContact O-N 3.16Å; A15-Q18 PolarHBondContact O-N 3.2Å; A15-E19 WeakPolarHBondContact O-CB 3.24Å; A15-E19 PolarHBondContact O-N 3.32Å |
| 16 | R | 89.6 | Confident | 84.8 | Confident | 143 Ų | 143 | 86.1 Ų | 86.1 | 54% | 0.54 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64 | -41 | 175.4 | -71 | 165.9 | -178 | 172.7 | -2.9 | 111.7 | A12 D13 E19 R20 | A12-R16 VanDerWaalsContact O-CG 3.28Å; A12-R16 WeakPolarHBondContact O-CG 3.37Å; A12-R16 PolarHBondContact O-N 3.42Å; D13-R16 PolarHBondContact O-N 3.26Å; D13-R16 IonicContact OD1-CZ 3.8Å; D13-R16 IonicContact OD1-NH1 2.9Å; D13-R16 PolarHBondContact OD1-NH1 3.29Å; R16-E19 PolarHBondContact O-N 3.34Å; R16-R20 WeakPolarHBondContact O-CG 3.4Å; R16-R20 PolarHBondContact O-N 3.5Å |
| 17 | Q | 89.1 | Confident | 86.3 | Confident | 116 Ų | 116 | 86.9 Ų | 86.9 | 54% | 0.542 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -67.3 | -40.9 | 178.5 | -168.5 | 153.8 | 30.7 | 0 | 0 | 111.3 | D13 G14 E19 R20 H21 | D13-Q17 WeakPolarHBondContact O-CB 3.26Å; D13-Q17 PolarHBondContact O-N 3.01Å; G14-Q17 PolarHBondContact O-N 3.15Å; Q17-E19 VanDerWaalsContact C-N 3.35Å; Q17-E19 PolarHBondContact O-N 3.4Å; Q17-R20 PolarHBondContact O-N 3.2Å; Q17-H21 WeakPolarHBondContact O-CB 3.48Å; Q17-H21 PolarHBondContact O-N 3.4Å |
| 18 | Q | 92.3 | Very high | 87.6 | Confident | 93 Ų | 93 | 85.4 Ų | 85.4 | 44% | 0.435 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62 | -42 | 173.8 | -168.7 | 65.2 | 23.7 | 0 | 0 | 111.9 | G14 A15 H21 Y22 | G14-Q18 WeakPolarHBondContact O-CB 3.36Å; G14-Q18 PolarHBondContact O-N 2.86Å; A15-Q18 PolarHBondContact O-N 3.2Å; Q18-H21 WeakPolarHBondContact O-CB 3.42Å; Q18-H21 PolarHBondContact O-N 3.22Å; Q18-Y22 HydrophobicContact CG-CD2 3.97Å; Q18-Y22 HydrophobicContact CG-CE2 3.63Å; Q18-Y22 PolarHBondContact NE2-OH 2.89Å; Q18-Y22 WeakPolarHBondContact O-CD2 3.34Å; Q18-Y22 PolarHBondContact O-N 2.94Å |
| 19 | E | 95.2 | Very high | 89.1 | Confident | 114 Ų | 114 | 82.5 Ų | 82.5 | 53% | 0.533 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -60.2 | -48.2 | 176.1 | -172.5 | -174.3 | -177.3 | 0 | 0 | 111.4 | A15 R16 Q17 H21 Y22 Q23 | A15-E19 WeakPolarHBondContact O-CB 3.24Å; A15-E19 PolarHBondContact O-N 3.32Å; R16-E19 PolarHBondContact O-N 3.34Å; Q17-E19 VanDerWaalsContact C-N 3.35Å; Q17-E19 PolarHBondContact O-N 3.4Å; E19-H21 VanDerWaalsContact C-N 3.29Å; E19-H21 PolarHBondContact O-N 3.48Å; E19-Y22 PolarHBondContact O-N 3.47Å; E19-Q23 WeakPolarHBondContact O-CG 3.46Å; E19-Q23 PolarHBondContact O-N 3.45Å; E19-Q23 PolarHBondContact OE1-NE2 3.2Å |
| 20 | R | 95.3 | Very high | 90.4 | Very high | 153 Ų | 153 | 79 Ų | 79 | 58% | 0.577 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -63.4 | -36.4 | 177.6 | -67.1 | 175.9 | -179.3 | -173.6 | 1.8 | 112.2 | R16 Q17 Q23 L24 L56 | R16-R20 WeakPolarHBondContact O-CG 3.4Å; R16-R20 PolarHBondContact O-N 3.5Å; Q17-R20 PolarHBondContact O-N 3.2Å; R20-Q23 PolarHBondContact O-N 3.07Å; R20-L24 PolarHBondContact O-N 3.3Å; R20-L56 HydrophobicContact CB-CD1 4.49Å; R20-L56 HydrophobicContact CB-CD2 3.64Å |
| 21 | H | 96.2 | Very high | 91.7 | Very high | 12 Ų | 12 | 76.7 Ų | 76.7 | 6% | 0.056 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -60.6 | -47.7 | 174.9 | 177.2 | -94.9 | 0 | 0 | 0 | 111 | Q17 Q18 E19 Q23 L24 L25 S49 L56 | Q17-H21 WeakPolarHBondContact O-CB 3.48Å; Q17-H21 PolarHBondContact O-N 3.4Å; Q18-H21 WeakPolarHBondContact O-CB 3.42Å; Q18-H21 PolarHBondContact O-N 3.22Å; E19-H21 VanDerWaalsContact C-N 3.29Å; E19-H21 PolarHBondContact O-N 3.48Å; H21-Q23 PolarHBondContact O-N 2.94Å; H21-L24 PolarHBondContact O-N 2.85Å; H21-L25 VanDerWaalsContact O-CB 3.28Å; H21-L25 WeakPolarHBondContact O-CB 3.32Å; H21-L25 PolarHBondContact O-N 3.37Å; H21-S49 PolarHBondContact CE1-OG 3.49Å; H21-S49 PolarHBondContact NE2-O 3.13Å; H21-S49 PolarHBondContact NE2-OG 3.38Å; H21-L56 HydrophobicContact CB-CD1 3.71Å |
| 22 | Y | 96.7 | Very high | 92.8 | Very high | 133 Ų | 133 | 72.6 Ų | 72.6 | 52% | 0.522 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -63.5 | -40.2 | 176.9 | -79.4 | -59.1 | 0 | 0 | 0 | 112.9 | Q18 E19 L25 S26 | Q18-Y22 HydrophobicContact CG-CD2 3.97Å; Q18-Y22 HydrophobicContact CG-CE2 3.63Å; Q18-Y22 PolarHBondContact NE2-OH 2.89Å; Q18-Y22 WeakPolarHBondContact O-CD2 3.34Å; Q18-Y22 PolarHBondContact O-N 2.94Å; E19-Y22 PolarHBondContact O-N 3.47Å; Y22-L25 PolarHBondContact O-N 2.94Å; Y22-S26 VanDerWaalsContact O-CB 3.29Å; Y22-S26 WeakPolarHBondContact O-CB 3.47Å; Y22-S26 PolarHBondContact O-N 3.44Å |
| 23 | Q | 97.3 | Very high | 93.7 | Very high | 112 Ų | 112 | 78 Ų | 78 | 52% | 0.523 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -59.9 | -48.3 | 176.1 | -71 | 173.1 | 10 | 0 | 0 | 111.3 | E19 R20 H21 S26 A27 | E19-Q23 WeakPolarHBondContact O-CG 3.46Å; E19-Q23 PolarHBondContact O-N 3.45Å; E19-Q23 PolarHBondContact OE1-NE2 3.2Å; R20-Q23 PolarHBondContact O-N 3.07Å; H21-Q23 PolarHBondContact O-N 2.94Å; Q23-S26 PolarHBondContact O-N 3.4Å; Q23-A27 PolarHBondContact O-N 3.07Å; Q23-A27 VanDerWaalsContact O-N 3.07Å |
| 24 | L | 96.4 | Very high | 94.4 | Very high | 55 Ų | 55 | 82.3 Ų | 82.3 | 29% | 0.288 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -65.9 | -43.9 | 177.9 | -82.2 | 165.7 | 0 | 0 | 0 | 112.5 | R20 H21 S26 A27 L28 A52 L55 L56 | R20-L24 PolarHBondContact O-N 3.3Å; H21-L24 PolarHBondContact O-N 2.85Å; L24-S26 VanDerWaalsContact C-N 3.3Å; L24-S26 PolarHBondContact O-N 3.28Å; L24-A27 WeakPolarHBondContact O-CB 3.28Å; L24-A27 PolarHBondContact O-N 3.01Å; L24-L28 WeakPolarHBondContact O-CB 3.48Å; L24-L28 WeakPolarHBondContact O-CG 3.49Å; L24-L28 PolarHBondContact O-N 2.84Å; L24-A52 HydrophobicContact CB-CB 4.06Å; L24-L55 HydrophobicContact CD1-CB 4.41Å; L24-L56 HydrophobicContact CD1-CD1 4.35Å; L24-L56 HydrophobicContact CD1-CD2 3.52Å; L24-L56 HydrophobicContact CD1-CG 3.54Å |
| 25 | L | 97.4 | Very high | 94.9 | Very high | 6 Ų | 6 | 83.8 Ų | 83.8 | 3% | 0.031 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -60.7 | -41.1 | 177.8 | -180 | 58.3 | 0 | 0 | 0 | 111.6 | H21 Y22 L28 Q29 Y45 L48 A52 | H21-L25 VanDerWaalsContact O-CB 3.28Å; H21-L25 WeakPolarHBondContact O-CB 3.32Å; H21-L25 PolarHBondContact O-N 3.37Å; Y22-L25 PolarHBondContact O-N 2.94Å; L25-L28 PolarHBondContact O-N 3.39Å; L25-Q29 HydrophobicContact CD1-CG 4.32Å; L25-Q29 WeakPolarHBondContact O-CB 3.45Å; L25-Q29 VanDerWaalsContact O-CG 3.24Å; L25-Q29 WeakPolarHBondContact O-CG 3.44Å; L25-Q29 PolarHBondContact O-N 3.36Å; L25-Y45 HydrophobicContact CD2-CE2 3.73Å; L25-L48 HydrophobicContact CD1-CB 3.74Å; L25-A52 HydrophobicContact CB-CB 4.38Å |
| 26 | S | 97.3 | Very high | 95.3 | Very high | 67 Ų | 67 | 84.8 Ų | 84.8 | 47% | 0.469 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 175.1 | -176.6 | 0 | 0 | 0 | 0 | 112 | Y22 Q23 L24 Q29 S30 | Y22-S26 VanDerWaalsContact O-CB 3.29Å; Y22-S26 WeakPolarHBondContact O-CB 3.47Å; Y22-S26 PolarHBondContact O-N 3.44Å; Q23-S26 PolarHBondContact O-N 3.4Å; L24-S26 VanDerWaalsContact C-N 3.3Å; L24-S26 PolarHBondContact O-N 3.28Å; S26-Q29 PolarHBondContact O-N 3.25Å; S26-S30 PolarHBondContact O-N 2.85Å; S26-S30 PolarHBondContact O-OG 3.19Å |
| 27 | A | 97.6 | Very high | 95.4 | Very high | 49 Ų | 49 | 81.9 Ų | 81.9 | 41% | 0.405 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.7 | -47.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q23 L24 Q29 S30 L31 | Q23-A27 PolarHBondContact O-N 3.07Å; Q23-A27 VanDerWaalsContact O-N 3.07Å; L24-A27 WeakPolarHBondContact O-CB 3.28Å; L24-A27 PolarHBondContact O-N 3.01Å; A27-Q29 PolarHBondContact O-N 2.93Å; A27-S30 WeakPolarHBondContact O-CB 3.48Å; A27-S30 PolarHBondContact O-N 3.16Å; A27-S30 VanDerWaalsContact O-N 3.13Å; A27-L31 WeakPolarHBondContact O-CG 3.48Å; A27-L31 PolarHBondContact O-N 3.39Å |
| 28 | L | 97 | Very high | 95.5 | Very high | 24 Ų | 24 | 79.7 Ų | 79.7 | 13% | 0.126 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -59.6 | -44.9 | 176.6 | -72.3 | 174.5 | 0 | 0 | 0 | 111.9 | L24 L25 S30 L31 V32 L48 L51 A52 L55 | L24-L28 WeakPolarHBondContact O-CB 3.48Å; L24-L28 WeakPolarHBondContact O-CG 3.49Å; L24-L28 PolarHBondContact O-N 2.84Å; L25-L28 PolarHBondContact O-N 3.39Å; L28-S30 VanDerWaalsContact C-N 3.26Å; L28-S30 PolarHBondContact O-N 3.44Å; L28-L31 PolarHBondContact O-N 2.98Å; L28-V32 WeakPolarHBondContact O-CG2 3.19Å; L28-V32 PolarHBondContact O-N 3.13Å; L28-L48 HydrophobicContact CB-CD2 4.31Å; L28-L48 WeakPolarHBondContact CD1-O 3.41Å; L28-L51 HydrophobicContact CD1-CB 4.23Å; L28-L51 HydrophobicContact CD1-CD2 4.08Å; L28-L51 HydrophobicContact CD1-CG 4.05Å; L28-L51 HydrophobicContact CD2-CD2 3.89Å; L28-A52 HydrophobicContact CD1-CB 3.98Å; L28-L55 HydrophobicContact CD1-CD1 4.37Å; L28-L55 HydrophobicContact CD2-CD1 4.38Å |
| 29 | Q | 95.8 | Very high | 95.5 | Very high | 68 Ų | 68 | 80.3 Ų | 80.3 | 32% | 0.318 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.4 | -35 | 176.2 | -75.4 | 175.6 | -6.6 | 0 | 0 | 112.5 | L25 S26 A27 V32 K33 L48 | L25-Q29 HydrophobicContact CD1-CG 4.32Å; L25-Q29 WeakPolarHBondContact O-CB 3.45Å; L25-Q29 VanDerWaalsContact O-CG 3.24Å; L25-Q29 WeakPolarHBondContact O-CG 3.44Å; L25-Q29 PolarHBondContact O-N 3.36Å; S26-Q29 PolarHBondContact O-N 3.25Å; A27-Q29 PolarHBondContact O-N 2.93Å; Q29-V32 PolarHBondContact O-N 3.3Å; Q29-K33 WeakPolarHBondContact O-CG 3.47Å; Q29-K33 PolarHBondContact O-N 3.34Å; Q29-L48 HydrophobicContact CG-CD1 4Å |
| 30 | S | 96.6 | Very high | 95.3 | Very high | 54 Ų | 54 | 78.1 Ų | 78.1 | 38% | 0.378 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67.6 | -44.5 | 176.4 | -57.4 | 0 | 0 | 0 | 0 | 111 | S26 A27 L28 V32 K33 | S26-S30 PolarHBondContact O-N 2.85Å; S26-S30 PolarHBondContact O-OG 3.19Å; A27-S30 WeakPolarHBondContact O-CB 3.48Å; A27-S30 PolarHBondContact O-N 3.16Å; A27-S30 VanDerWaalsContact O-N 3.13Å; L28-S30 VanDerWaalsContact C-N 3.26Å; L28-S30 PolarHBondContact O-N 3.44Å; S30-V32 VanDerWaalsContact C-N 3.34Å; S30-V32 PolarHBondContact O-N 3.05Å; S30-K33 WeakPolarHBondContact O-CB 3.24Å; S30-K33 PolarHBondContact O-N 3.46Å |
| 31 | L | 96.5 | Very high | 95 | Very high | 101 Ų | 101 | 78.8 Ų | 78.8 | 53% | 0.529 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.1 | -40 | 174.4 | -69.3 | 169.5 | 0 | 0 | 0 | 112.4 | A27 L28 K33 E34 | A27-L31 WeakPolarHBondContact O-CG 3.48Å; A27-L31 PolarHBondContact O-N 3.39Å; L28-L31 PolarHBondContact O-N 2.98Å; L31-K33 VanDerWaalsContact C-N 3.3Å; L31-K33 PolarHBondContact O-N 3.39Å; L31-E34 PolarHBondContact O-N 3.03Å |
| 32 | V | 95.8 | Very high | 94.9 | Very high | 19 Ų | 19 | 87.4 Ų | 87.4 | 12% | 0.115 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -63.7 | -36.3 | 177.6 | 172.2 | 0 | 0 | 0 | 0 | 111.8 | L28 Q29 S30 E34 L35 Q40 L43 L48 | L28-V32 WeakPolarHBondContact O-CG2 3.19Å; L28-V32 PolarHBondContact O-N 3.13Å; Q29-V32 PolarHBondContact O-N 3.3Å; S30-V32 VanDerWaalsContact C-N 3.34Å; S30-V32 PolarHBondContact O-N 3.05Å; V32-E34 PolarHBondContact O-N 3.46Å; V32-L35 WeakPolarHBondContact O-CB 3.37Å; V32-L35 PolarHBondContact O-N 2.9Å; V32-Q40 HydrophobicContact CG1-CB 4.12Å; V32-Q40 HydrophobicContact CG1-CG 3.98Å; V32-Q40 WeakPolarHBondContact O-CG 3.29Å; V32-Q40 PolarHBondContact O-NE2 3.4Å; V32-L43 HydrophobicContact CG1-CB 4.37Å; V32-L43 HydrophobicContact CG1-CD1 4.35Å; V32-L43 HydrophobicContact CG2-CB 4.23Å; V32-L43 HydrophobicContact CG2-CD1 3.67Å; V32-L48 HydrophobicContact CG2-CD1 4.01Å; V32-L48 HydrophobicContact CG2-CD2 3.8Å |
| 33 | K | 93.9 | Very high | 94.7 | Very high | 153 Ų | 153 | 83.9 Ų | 83.9 | 67% | 0.665 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -62.5 | -23.4 | 178.2 | -71.9 | 169 | -174.3 | 175.2 | 0 | 113.1 | Q29 S30 L31 L35 Q40 | Q29-K33 WeakPolarHBondContact O-CG 3.47Å; Q29-K33 PolarHBondContact O-N 3.34Å; S30-K33 WeakPolarHBondContact O-CB 3.24Å; S30-K33 PolarHBondContact O-N 3.46Å; L31-K33 VanDerWaalsContact C-N 3.3Å; L31-K33 PolarHBondContact O-N 3.39Å; K33-L35 VanDerWaalsContact C-N 3.32Å; K33-Q40 PolarHBondContact O-NE2 2.61Å |
| 34 | E | 95.4 | Very high | 94.6 | Very high | 159 Ų | 159 | 81 Ų | 81 | 74% | 0.743 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -12.4 | 177.1 | -61.9 | 177.9 | -166.2 | 0 | 0 | 112.9 | L31 V32 | L31-E34 PolarHBondContact O-N 3.03Å; V32-E34 PolarHBondContact O-N 3.46Å |
| 35 | L | 93.6 | Very high | 94.5 | Very high | 71 Ų | 71 | 84.6 Ų | 84.6 | 37% | 0.372 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -82.6 | 155.5 | 179.8 | -59 | 177.4 | 0 | 0 | 0 | 112.1 | V32 K33 F39 Q40 L43 | V32-L35 WeakPolarHBondContact O-CB 3.37Å; V32-L35 PolarHBondContact O-N 2.9Å; K33-L35 VanDerWaalsContact C-N 3.32Å; L35-F39 HydrophobicContact CB-CB 4.23Å; L35-F39 HydrophobicContact CD1-CB 4.36Å; L35-Q40 HydrophobicContact CB-CG 4.35Å; L35-Q40 PolarHBondContact O-NE2 2.93Å; L35-L43 HydrophobicContact CD1-CD1 3.81Å |
| 36 | P | 95.6 | Very high | 94.4 | Very high | 79 Ų | 79 | 88.5 Ų | 88.5 | 51% | 0.513 | 46% | 0.462 | S | S | . | . | trans | -58.2 | 147.2 | 169 | -21.6 | 31.3 | 0 | 0 | 0 | 112.3 | S38 F39 Q40 | P36-S38 PolarHBondContact O-N 2.97Å; P36-F39 HydrophobicContact CB-CD2 4.03Å; P36-F39 HydrophobicContact CG-CD2 4.04Å; P36-F39 HydrophobicContact CG-CE2 4.35Å; P36-F39 PolarHBondContact O-N 2.93Å; P36-Q40 PolarHBondContact O-N 3.24Å | ||
| 37 | S | 91.7 | Very high | 94.3 | Very high | 81 Ų | 81 | 88.3 Ų | 88.3 | 57% | 0.566 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -55.6 | -31 | -173.3 | -49.8 | 0 | 0 | 0 | 0 | 114.5 | F39 Q40 Q41 | S37-F39 VanDerWaalsContact C-N 3.25Å; S37-F39 PolarHBondContact O-N 2.99Å; S37-Q40 PolarHBondContact O-N 3.36Å; S37-Q41 WeakPolarHBondContact O-CG 3.34Å; S37-Q41 PolarHBondContact O-N 3.38Å; S37-Q41 VanDerWaalsContact O-N 3.14Å |
| 38 | S | 92.6 | Very high | 94.3 | Very high | 71 Ų | 71 | 86.5 Ų | 86.5 | 50% | 0.497 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -61.9 | -31 | 175.6 | 51.7 | 0 | 0 | 0 | 0 | 113.3 | P36 | P36-S38 PolarHBondContact O-N 2.97Å |
| 39 | F | 90.9 | Very high | 94.3 | Very high | 106 Ų | 106 | 86.2 Ų | 86.2 | 47% | 0.465 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -86.2 | -35.7 | 175.8 | -64.3 | -77 | 0 | 0 | 0 | 111.6 | L35 P36 S37 Q41 R42 L43 | L35-F39 HydrophobicContact CB-CB 4.23Å; L35-F39 HydrophobicContact CD1-CB 4.36Å; P36-F39 HydrophobicContact CB-CD2 4.03Å; P36-F39 HydrophobicContact CG-CD2 4.04Å; P36-F39 HydrophobicContact CG-CE2 4.35Å; P36-F39 PolarHBondContact O-N 2.93Å; S37-F39 VanDerWaalsContact C-N 3.25Å; S37-F39 PolarHBondContact O-N 2.99Å; F39-Q41 VanDerWaalsContact C-N 3.28Å; F39-Q41 PolarHBondContact O-N 2.94Å; F39-R42 PolarHBondContact O-N 2.92Å; F39-R42 VanDerWaalsContact O-N 3.08Å; F39-L43 PolarHBondContact O-N 3.41Å |
| 40 | Q | 91.7 | Very high | 94.3 | Very high | 67 Ų | 67 | 87.8 Ų | 87.8 | 31% | 0.313 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -56.5 | -43.6 | 176 | -60.5 | -173.1 | 9.5 | 0 | 0 | 111.8 | V32 K33 L35 P36 S37 R42 L43 | V32-Q40 HydrophobicContact CG1-CB 4.12Å; V32-Q40 HydrophobicContact CG1-CG 3.98Å; V32-Q40 WeakPolarHBondContact O-CG 3.29Å; V32-Q40 PolarHBondContact O-NE2 3.4Å; K33-Q40 PolarHBondContact O-NE2 2.61Å; L35-Q40 HydrophobicContact CB-CG 4.35Å; L35-Q40 PolarHBondContact O-NE2 2.93Å; P36-Q40 PolarHBondContact O-N 3.24Å; S37-Q40 PolarHBondContact O-N 3.36Å; Q40-R42 PolarHBondContact O-N 3.3Å; Q40-L43 PolarHBondContact O-N 3.46Å; Q40-L43 VanDerWaalsContact O-N 3.08Å |
| 41 | Q | 89.7 | Confident | 94.2 | Very high | 168 Ų | 168 | 88.8 Ų | 88.8 | 79% | 0.785 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -21.8 | 179.9 | -72.2 | 178.1 | -7.8 | 0 | 0 | 114 | S37 F39 | S37-Q41 WeakPolarHBondContact O-CG 3.34Å; S37-Q41 PolarHBondContact O-N 3.38Å; S37-Q41 VanDerWaalsContact O-N 3.14Å; F39-Q41 VanDerWaalsContact C-N 3.28Å; F39-Q41 PolarHBondContact O-N 2.94Å |
| 42 | R | 93.2 | Very high | 94.2 | Very high | 192 Ų | 192 | 84 Ų | 84 | 73% | 0.725 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -13.4 | 178.7 | -63.3 | 179.9 | 63.5 | -164.6 | -2.1 | 112.9 | F39 Q40 | F39-R42 PolarHBondContact O-N 2.92Å; F39-R42 VanDerWaalsContact O-N 3.08Å; Q40-R42 PolarHBondContact O-N 3.3Å |
| 43 | L | 93.1 | Very high | 94.2 | Very high | 59 Ų | 59 | 87.2 Ų | 87.2 | 31% | 0.309 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -109.1 | 77.8 | -175.3 | -63.4 | 173.4 | 0 | 0 | 0 | 108.9 | V32 L35 F39 Q40 L48 | V32-L43 HydrophobicContact CG1-CB 4.37Å; V32-L43 HydrophobicContact CG1-CD1 4.35Å; V32-L43 HydrophobicContact CG2-CB 4.23Å; V32-L43 HydrophobicContact CG2-CD1 3.67Å; L35-L43 HydrophobicContact CD1-CD1 3.81Å; F39-L43 PolarHBondContact O-N 3.41Å; Q40-L43 PolarHBondContact O-N 3.46Å; Q40-L43 VanDerWaalsContact O-N 3.08Å; L43-L48 HydrophobicContact CB-CD2 4.31Å |
| 44 | S | 94 | Very high | 94.2 | Very high | 52 Ų | 52 | 82.2 Ų | 82.2 | 36% | 0.364 | 43% | 0.431 | S | S | . | . | trans | -66 | 161.1 | 178.7 | 69.1 | 0 | 0 | 0 | 0 | 111.5 | T46 T47 L48 | S44-T46 PolarHBondContact O-N 2.95Å; S44-T46 PolarHBondContact OG-OG1 3.47Å; S44-T47 PolarHBondContact O-N 3.14Å; S44-T47 VanDerWaalsContact O-N 3.15Å; S44-T47 PolarHBondContact OG-N 2.95Å; S44-T47 PolarHBondContact OG-OG1 3.35Å; S44-T47 VanDerWaalsContact OG-OG1 3.14Å; S44-L48 WeakPolarHBondContact O-CG 3.29Å; S44-L48 PolarHBondContact O-N 3.41Å | ||
| 45 | Y | 94.6 | Very high | 94.1 | Very high | 131 Ų | 131 | 77.3 Ų | 77.3 | 51% | 0.514 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -52.4 | -42.6 | 173.2 | 176 | -90.3 | 0 | 0 | 0 | 112.5 | L25 L48 S49 | L25-Y45 HydrophobicContact CD2-CE2 3.73Å; Y45-L48 PolarHBondContact O-N 3.27Å; Y45-S49 WeakPolarHBondContact O-CB 3Å; Y45-S49 PolarHBondContact O-N 2.95Å |
| 46 | T | 96.1 | Very high | 94.1 | Very high | 87 Ų | 87 | 76 Ų | 76 | 53% | 0.534 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.6 | -47.4 | 179.2 | 54.8 | 0 | 0 | 0 | 0 | 110.9 | S44 L48 S49 D50 | S44-T46 PolarHBondContact O-N 2.95Å; S44-T46 PolarHBondContact OG-OG1 3.47Å; T46-L48 VanDerWaalsContact C-N 3.32Å; T46-L48 PolarHBondContact O-N 3.28Å; T46-S49 WeakPolarHBondContact O-CB 3.23Å; T46-S49 PolarHBondContact O-N 3.42Å; T46-S49 VanDerWaalsContact O-N 3.16Å; T46-D50 WeakPolarHBondContact O-CB 3.36Å; T46-D50 PolarHBondContact O-N 2.92Å |
| 47 | T | 95.8 | Very high | 94 | Very high | 63 Ų | 63 | 77 Ų | 77 | 39% | 0.387 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60 | -40.6 | 176.6 | -58.5 | 0 | 0 | 0 | 0 | 112.4 | S44 L51 | S44-T47 PolarHBondContact O-N 3.14Å; S44-T47 VanDerWaalsContact O-N 3.15Å; S44-T47 PolarHBondContact OG-N 2.95Å; S44-T47 PolarHBondContact OG-OG1 3.35Å; S44-T47 VanDerWaalsContact OG-OG1 3.14Å; T47-L51 VanDerWaalsContact O-CB 3.26Å; T47-L51 WeakPolarHBondContact O-CB 3.45Å; T47-L51 PolarHBondContact O-N 3.26Å |
| 48 | L | 96.8 | Very high | 94 | Very high | 11 Ų | 11 | 74 Ų | 74 | 6% | 0.058 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -70 | -35.6 | 177.4 | -62.7 | 176.7 | 0 | 0 | 0 | 112.4 | L25 L28 Q29 V32 L43 S44 Y45 T46 A52 | L25-L48 HydrophobicContact CD1-CB 3.74Å; L28-L48 HydrophobicContact CB-CD2 4.31Å; L28-L48 WeakPolarHBondContact CD1-O 3.41Å; Q29-L48 HydrophobicContact CG-CD1 4Å; V32-L48 HydrophobicContact CG2-CD1 4.01Å; V32-L48 HydrophobicContact CG2-CD2 3.8Å; L43-L48 HydrophobicContact CB-CD2 4.31Å; S44-L48 WeakPolarHBondContact O-CG 3.29Å; S44-L48 PolarHBondContact O-N 3.41Å; Y45-L48 PolarHBondContact O-N 3.27Å; T46-L48 VanDerWaalsContact C-N 3.32Å; T46-L48 PolarHBondContact O-N 3.28Å; L48-A52 WeakPolarHBondContact O-CB 3.35Å; L48-A52 PolarHBondContact O-N 3.35Å |
| 49 | S | 96.1 | Very high | 94.2 | Very high | 19 Ų | 19 | 73.3 Ų | 73.3 | 13% | 0.133 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.7 | -45.1 | 175.6 | -175.2 | 0 | 0 | 0 | 0 | 111.5 | H21 Y45 T46 L51 A52 L53 | H21-S49 PolarHBondContact CE1-OG 3.49Å; H21-S49 PolarHBondContact NE2-O 3.13Å; H21-S49 PolarHBondContact NE2-OG 3.38Å; Y45-S49 WeakPolarHBondContact O-CB 3Å; Y45-S49 PolarHBondContact O-N 2.95Å; T46-S49 WeakPolarHBondContact O-CB 3.23Å; T46-S49 PolarHBondContact O-N 3.42Å; T46-S49 VanDerWaalsContact O-N 3.16Å; S49-L51 VanDerWaalsContact C-N 3.33Å; S49-A52 PolarHBondContact O-N 2.9Å; S49-L53 WeakPolarHBondContact O-CG 3.49Å; S49-L53 PolarHBondContact O-N 3.42Å |
| 50 | D | 96.1 | Very high | 94.3 | Very high | 100 Ų | 100 | 72.6 Ų | 72.6 | 54% | 0.535 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.6 | -40 | 176.7 | -63.5 | -22.9 | 0 | 0 | 0 | 110.7 | T46 L53 A54 | T46-D50 WeakPolarHBondContact O-CB 3.36Å; T46-D50 PolarHBondContact O-N 2.92Å; D50-L53 PolarHBondContact O-N 2.92Å; D50-A54 PolarHBondContact O-N 3.4Å |
| 51 | L | 95.6 | Very high | 94.5 | Very high | 75 Ų | 75 | 75.3 Ų | 75.3 | 39% | 0.393 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 174.1 | -178.9 | 60.2 | 0 | 0 | 0 | 111.6 | L28 T47 S49 L53 A54 L55 | L28-L51 HydrophobicContact CD1-CB 4.23Å; L28-L51 HydrophobicContact CD1-CD2 4.08Å; L28-L51 HydrophobicContact CD1-CG 4.05Å; L28-L51 HydrophobicContact CD2-CD2 3.89Å; T47-L51 VanDerWaalsContact O-CB 3.26Å; T47-L51 WeakPolarHBondContact O-CB 3.45Å; T47-L51 PolarHBondContact O-N 3.26Å; S49-L51 VanDerWaalsContact C-N 3.33Å; L51-L53 VanDerWaalsContact C-N 3.3Å; L51-L53 PolarHBondContact O-N 2.92Å; L51-A54 PolarHBondContact O-N 2.96Å; L51-L55 HydrophobicContact CD1-CD1 4.46Å; L51-L55 HydrophobicContact CD1-CG 4.26Å; L51-L55 HydrophobicContact CG-CD1 4.18Å; L51-L55 HydrophobicContact CG-CG 4.42Å; L51-L55 WeakPolarHBondContact O-CB 3.34Å; L51-L55 VanDerWaalsContact O-CG 3.24Å; L51-L55 WeakPolarHBondContact O-CG 3.47Å; L51-L55 PolarHBondContact O-N 3.01Å |
| 52 | A | 96.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60 | -39.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | L24 L25 L28 L48 S49 L55 L56 | L24-A52 HydrophobicContact CB-CB 4.06Å; L25-A52 HydrophobicContact CB-CB 4.38Å; L28-A52 HydrophobicContact CD1-CB 3.98Å; L48-A52 WeakPolarHBondContact O-CB 3.35Å; L48-A52 PolarHBondContact O-N 3.35Å; S49-A52 PolarHBondContact O-N 2.9Å; A52-L55 PolarHBondContact O-N 2.86Å; A52-L56 WeakPolarHBondContact O-CG 3.41Å; A52-L56 PolarHBondContact O-N 3.34Å |
| 53 | L | 95 | Very high | 95.1 | Very high | 87 Ų | 87 | 69.6 Ų | 69.6 | 46% | 0.455 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.9 | -45.6 | 174.6 | -70.9 | 170.8 | 0 | 0 | 0 | 111.9 | S49 D50 L51 L55 L56 D57 | S49-L53 WeakPolarHBondContact O-CG 3.49Å; S49-L53 PolarHBondContact O-N 3.42Å; D50-L53 PolarHBondContact O-N 2.92Å; L51-L53 VanDerWaalsContact C-N 3.3Å; L51-L53 PolarHBondContact O-N 2.92Å; L53-L55 VanDerWaalsContact C-N 3.29Å; L53-L55 PolarHBondContact O-N 3.03Å; L53-L56 PolarHBondContact O-N 2.98Å; L53-L56 VanDerWaalsContact O-N 3.16Å; L53-D57 PolarHBondContact O-N 3.36Å |
| 54 | A | 94.4 | Very high | 95.3 | Very high | 48 Ų | 48 | 71 Ų | 71 | 40% | 0.397 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -62.9 | -35.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D50 L51 G58 | D50-A54 PolarHBondContact O-N 3.4Å; L51-A54 PolarHBondContact O-N 2.96Å; A54-G58 PolarHBondContact O-N 3.32Å |
| 55 | L | 93.9 | Very high | 95.5 | Very high | 57 Ų | 57 | 73.1 Ų | 73.1 | 30% | 0.298 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -68.9 | -34.8 | 174.7 | -69.6 | 174.9 | 0 | 0 | 0 | 112.4 | L24 L28 L51 A52 L53 F61 | L24-L55 HydrophobicContact CD1-CB 4.41Å; L28-L55 HydrophobicContact CD1-CD1 4.37Å; L28-L55 HydrophobicContact CD2-CD1 4.38Å; L51-L55 HydrophobicContact CD1-CD1 4.46Å; L51-L55 HydrophobicContact CD1-CG 4.26Å; L51-L55 HydrophobicContact CG-CD1 4.18Å; L51-L55 HydrophobicContact CG-CG 4.42Å; L51-L55 WeakPolarHBondContact O-CB 3.34Å; L51-L55 VanDerWaalsContact O-CG 3.24Å; L51-L55 WeakPolarHBondContact O-CG 3.47Å; L51-L55 PolarHBondContact O-N 3.01Å; A52-L55 PolarHBondContact O-N 2.86Å; L53-L55 VanDerWaalsContact C-N 3.29Å; L53-L55 PolarHBondContact O-N 3.03Å; L55-F61 HydrophobicContact CD2-CE2 3.55Å; L55-F61 HydrophobicContact CD2-CZ 3.49Å; L55-F61 VanDerWaalsContact CD2-CZ 3.49Å |
| 56 | L | 93.4 | Very high | 95.7 | Very high | 42 Ų | 42 | 68.2 Ų | 68.2 | 22% | 0.22 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -72 | -39.2 | 175.7 | -77.9 | 171.5 | 0 | 0 | 0 | 113.2 | R20 H21 L24 A52 L53 G58 | R20-L56 HydrophobicContact CB-CD1 4.49Å; R20-L56 HydrophobicContact CB-CD2 3.64Å; H21-L56 HydrophobicContact CB-CD1 3.71Å; L24-L56 HydrophobicContact CD1-CD1 4.35Å; L24-L56 HydrophobicContact CD1-CD2 3.52Å; L24-L56 HydrophobicContact CD1-CG 3.54Å; A52-L56 WeakPolarHBondContact O-CG 3.41Å; A52-L56 PolarHBondContact O-N 3.34Å; L53-L56 PolarHBondContact O-N 2.98Å; L53-L56 VanDerWaalsContact O-N 3.16Å; L56-G58 PolarHBondContact O-N 2.87Å |
| 57 | D | 93 | Very high | 95.8 | Very high | 102 Ų | 102 | 69.1 Ų | 69.1 | 55% | 0.545 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59.8 | -38.6 | 177.9 | 177.1 | 82.8 | 0 | 0 | 0 | 111.1 | L53 T59 | L53-D57 PolarHBondContact O-N 3.36Å; D57-T59 PolarHBondContact O-N 3.02Å; D57-T59 WeakPolarHBondContact OD2-CB 3.32Å; D57-T59 PolarHBondContact OD2-N 3.34Å; D57-T59 PolarHBondContact OD2-OG1 3.23Å |
| 58 | G | 92.6 | Very high | 95.9 | Very high | 16 Ų | 16 | 69.2 Ų | 69.2 | 17% | 0.165 | 38% | 0.38 | C | S | . | . | trans | 75 | -17.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | A54 L56 V60 F61 E62 | A54-G58 PolarHBondContact O-N 3.32Å; L56-G58 PolarHBondContact O-N 2.87Å; G58-V60 PolarHBondContact O-N 3.21Å; G58-V60 VanDerWaalsContact O-N 3.14Å; G58-F61 WeakPolarHBondContact O-CA 3.27Å; G58-F61 WeakPolarHBondContact O-CB 3.4Å; G58-F61 PolarHBondContact O-N 3.31Å; G58-E62 PolarHBondContact O-N 3.35Å; G58-E62 VanDerWaalsContact O-N 3.13Å | ||
| 59 | T | 95.4 | Very high | 96 | Very high | 58 Ų | 58 | 73.6 Ų | 73.6 | 36% | 0.356 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -54.6 | -39 | -175.6 | -54.7 | 0 | 0 | 0 | 0 | 112.4 | D57 F61 E62 I63 | D57-T59 PolarHBondContact O-N 3.02Å; D57-T59 WeakPolarHBondContact OD2-CB 3.32Å; D57-T59 PolarHBondContact OD2-N 3.34Å; D57-T59 PolarHBondContact OD2-OG1 3.23Å; T59-F61 VanDerWaalsContact C-N 3.31Å; T59-F61 PolarHBondContact O-N 3.07Å; T59-E62 PolarHBondContact O-N 3.48Å; T59-I63 HydrophobicContact CG2-CD1 3.92Å; T59-I63 HydrophobicContact CG2-CG1 4.39Å; T59-I63 VanDerWaalsContact O-CG1 3.29Å; T59-I63 WeakPolarHBondContact O-CG1 3.35Å; T59-I63 PolarHBondContact O-N 3.07Å |
| 60 | V | 94.6 | Very high | 96.1 | Very high | 91 Ų | 91 | 77.6 Ų | 77.6 | 55% | 0.552 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -62 | -40.5 | 178 | 178.7 | 0 | 0 | 0 | 0 | 111.2 | G58 I63 V64 | G58-V60 PolarHBondContact O-N 3.21Å; G58-V60 VanDerWaalsContact O-N 3.14Å; V60-I63 PolarHBondContact O-N 2.99Å; V60-V64 VanDerWaalsContact O-CG2 3.27Å; V60-V64 WeakPolarHBondContact O-CG2 3.37Å; V60-V64 PolarHBondContact O-N 2.97Å |
| 61 | F | 95.6 | Very high | 96.3 | Very high | 124 Ų | 124 | 77.3 Ų | 77.3 | 54% | 0.544 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -67.9 | -40 | 177.2 | -65.5 | -78 | 0 | 0 | 0 | 111.6 | L55 G58 T59 V64 Q65 | L55-F61 HydrophobicContact CD2-CE2 3.55Å; L55-F61 HydrophobicContact CD2-CZ 3.49Å; L55-F61 VanDerWaalsContact CD2-CZ 3.49Å; G58-F61 WeakPolarHBondContact O-CA 3.27Å; G58-F61 WeakPolarHBondContact O-CB 3.4Å; G58-F61 PolarHBondContact O-N 3.31Å; T59-F61 VanDerWaalsContact C-N 3.31Å; T59-F61 PolarHBondContact O-N 3.07Å; F61-V64 PolarHBondContact O-N 3.42Å; F61-Q65 WeakPolarHBondContact O-CB 3.3Å; F61-Q65 PolarHBondContact O-N 3.42Å |
| 62 | E | 97.6 | Very high | 96.4 | Very high | 141 Ų | 141 | 78.6 Ų | 78.6 | 66% | 0.659 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -62 | -43.9 | 175.8 | -64.7 | -175.4 | 174.1 | 0 | 0 | 111.7 | G58 T59 Q65 G66 | G58-E62 PolarHBondContact O-N 3.35Å; G58-E62 VanDerWaalsContact O-N 3.13Å; T59-E62 PolarHBondContact O-N 3.48Å; E62-Q65 PolarHBondContact O-N 2.9Å; E62-G66 PolarHBondContact O-N 2.86Å |
| 63 | I | 97.4 | Very high | 96.5 | Very high | 99 Ų | 99 | 84.4 Ų | 84.4 | 51% | 0.508 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.1 | -48.8 | 175.3 | -69 | 166.5 | 0 | 0 | 0 | 110.4 | T59 V60 Q65 G66 L67 | T59-I63 HydrophobicContact CG2-CD1 3.92Å; T59-I63 HydrophobicContact CG2-CG1 4.39Å; T59-I63 VanDerWaalsContact O-CG1 3.29Å; T59-I63 WeakPolarHBondContact O-CG1 3.35Å; T59-I63 PolarHBondContact O-N 3.07Å; V60-I63 PolarHBondContact O-N 2.99Å; I63-Q65 VanDerWaalsContact C-N 3.3Å; I63-Q65 PolarHBondContact O-N 2.93Å; I63-G66 PolarHBondContact O-N 3.32Å; I63-L67 HydrophobicContact CG2-CD1 4.05Å; I63-L67 HydrophobicContact CG2-CG 4.43Å; I63-L67 WeakPolarHBondContact O-CG 3.41Å; I63-L67 PolarHBondContact O-N 2.78Å |
| 64 | V | 97.9 | Very high | 96.7 | Very high | 88 Ų | 88 | 83.6 Ų | 83.6 | 53% | 0.533 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.2 | -41.4 | 179.6 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | V60 F61 L67 L68 | V60-V64 VanDerWaalsContact O-CG2 3.27Å; V60-V64 WeakPolarHBondContact O-CG2 3.37Å; V60-V64 PolarHBondContact O-N 2.97Å; F61-V64 PolarHBondContact O-N 3.42Å; V64-L67 PolarHBondContact O-N 2.93Å; V64-L68 WeakPolarHBondContact O-CB 3.43Å; V64-L68 PolarHBondContact O-N 3.44Å |
| 65 | Q | 97.9 | Very high | 96.9 | Very high | 97 Ų | 97 | 86 Ų | 86 | 45% | 0.453 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.1 | -45.9 | 176.8 | -177.7 | 59.6 | 32.1 | 0 | 0 | 111.6 | F61 E62 I63 L67 L68 E69 | F61-Q65 WeakPolarHBondContact O-CB 3.3Å; F61-Q65 PolarHBondContact O-N 3.42Å; E62-Q65 PolarHBondContact O-N 2.9Å; I63-Q65 VanDerWaalsContact C-N 3.3Å; I63-Q65 PolarHBondContact O-N 2.93Å; Q65-L67 PolarHBondContact O-N 3.33Å; Q65-L68 WeakPolarHBondContact O-CB 3.33Å; Q65-L68 PolarHBondContact O-N 3.39Å; Q65-E69 PolarHBondContact NE2-OE1 3.46Å; Q65-E69 WeakPolarHBondContact O-CG 3.28Å; Q65-E69 PolarHBondContact O-N 3Å |
| 66 | G | 98.1 | Very high | 97.1 | Very high | 27 Ų | 27 | 89.9 Ų | 89.9 | 28% | 0.278 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.2 | -41.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | E62 I63 L68 E69 I70 | E62-G66 PolarHBondContact O-N 2.86Å; I63-G66 PolarHBondContact O-N 3.32Å; G66-L68 VanDerWaalsContact C-N 3.33Å; G66-L68 PolarHBondContact O-N 3.05Å; G66-E69 PolarHBondContact O-N 3.48Å; G66-I70 WeakPolarHBondContact O-CG1 3.41Å; G66-I70 PolarHBondContact O-N 2.9Å |
| 67 | L | 98.6 | Very high | 97.3 | Very high | 107 Ų | 107 | 91.4 Ų | 91.4 | 56% | 0.56 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64 | -38.7 | 175.6 | -69.9 | 175.6 | 0 | 0 | 0 | 112.1 | I63 V64 Q65 I70 Q71 | I63-L67 HydrophobicContact CG2-CD1 4.05Å; I63-L67 HydrophobicContact CG2-CG 4.43Å; I63-L67 WeakPolarHBondContact O-CG 3.41Å; I63-L67 PolarHBondContact O-N 2.78Å; V64-L67 PolarHBondContact O-N 2.93Å; Q65-L67 PolarHBondContact O-N 3.33Å; L67-I70 PolarHBondContact O-N 2.97Å; L67-Q71 PolarHBondContact O-N 3.43Å |
| 68 | L | 98.5 | Very high | 97.6 | Very high | 64 Ų | 64 | 91.2 Ų | 91.2 | 34% | 0.335 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.6 | -39.6 | 176.9 | -173.4 | 67.9 | 0 | 0 | 0 | 111.7 | V64 Q65 G66 Q71 H72 | V64-L68 WeakPolarHBondContact O-CB 3.43Å; V64-L68 PolarHBondContact O-N 3.44Å; Q65-L68 WeakPolarHBondContact O-CB 3.33Å; Q65-L68 PolarHBondContact O-N 3.39Å; G66-L68 VanDerWaalsContact C-N 3.33Å; G66-L68 PolarHBondContact O-N 3.05Å; L68-Q71 WeakPolarHBondContact O-CB 3.43Å; L68-Q71 PolarHBondContact O-N 3.2Å; L68-H72 VanDerWaalsContact O-CG 3.31Å; L68-H72 PolarHBondContact O-N 2.96Å; L68-H72 PolarHBondContact O-ND1 3.34Å |
| 69 | E | 98.6 | Very high | 97.9 | Very high | 103 Ų | 103 | 97.2 Ų | 97.2 | 48% | 0.481 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.9 | -44.1 | 174.5 | -73.4 | 172.3 | -163.8 | 0 | 0 | 112 | Q65 G66 Q71 H72 L73 | Q65-E69 PolarHBondContact NE2-OE1 3.46Å; Q65-E69 WeakPolarHBondContact O-CG 3.28Å; Q65-E69 PolarHBondContact O-N 3Å; G66-E69 PolarHBondContact O-N 3.48Å; E69-Q71 VanDerWaalsContact C-N 3.3Å; E69-Q71 PolarHBondContact O-N 3.24Å; E69-H72 PolarHBondContact O-N 3.24Å; E69-L73 WeakPolarHBondContact O-CG 3.46Å; E69-L73 PolarHBondContact O-N 3.18Å |
| 70 | I | 98.6 | Very high | 98 | Very high | 103 Ų | 103 | 97.5 Ų | 97.5 | 53% | 0.528 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.4 | -43.9 | 174.5 | -68.5 | 165.8 | 0 | 0 | 0 | 110.6 | G66 L67 L73 T74 | G66-I70 WeakPolarHBondContact O-CG1 3.41Å; G66-I70 PolarHBondContact O-N 2.9Å; L67-I70 PolarHBondContact O-N 2.97Å; I70-L73 PolarHBondContact O-N 3.25Å; I70-T74 WeakPolarHBondContact O-CB 3.47Å; I70-T74 PolarHBondContact O-N 3.36Å; I70-T74 PolarHBondContact O-OG1 3.03Å |
| 71 | Q | 98.4 | Very high | 98.1 | Very high | 94 Ų | 94 | 98.4 Ų | 98.4 | 44% | 0.439 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57 | -54.6 | 175.8 | 178.3 | -173.7 | 13.3 | 0 | 0 | 110.7 | L67 L68 E69 L73 T74 E75 | L67-Q71 PolarHBondContact O-N 3.43Å; L68-Q71 WeakPolarHBondContact O-CB 3.43Å; L68-Q71 PolarHBondContact O-N 3.2Å; E69-Q71 VanDerWaalsContact C-N 3.3Å; E69-Q71 PolarHBondContact O-N 3.24Å; Q71-L73 VanDerWaalsContact C-N 3.3Å; Q71-L73 PolarHBondContact O-N 3.43Å; Q71-T74 WeakPolarHBondContact O-CB 3.3Å; Q71-T74 PolarHBondContact O-N 2.97Å; Q71-E75 HydrophobicContact CG-CG 4.37Å; Q71-E75 VanDerWaalsContact CG-OE1 3.3Å; Q71-E75 WeakPolarHBondContact CG-OE1 3.4Å; Q71-E75 PolarHBondContact NE2-OE1 3.31Å; Q71-E75 WeakPolarHBondContact O-CG 3.45Å; Q71-E75 PolarHBondContact O-N 3.32Å |
| 72 | H | 98.6 | Very high | 98.2 | Very high | 102 Ų | 102 | 100.2 Ų | 100.2 | 47% | 0.472 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.3 | -39.9 | -178.3 | -68 | 148.3 | 0 | 0 | 0 | 112.7 | L68 E69 T74 K76 | L68-H72 VanDerWaalsContact O-CG 3.31Å; L68-H72 PolarHBondContact O-N 2.96Å; L68-H72 PolarHBondContact O-ND1 3.34Å; E69-H72 PolarHBondContact O-N 3.24Å; H72-T74 VanDerWaalsContact C-N 3.33Å; H72-K76 WeakPolarHBondContact O-CB 3.33Å; H72-K76 PolarHBondContact O-N 3.27Å |
| 73 | L | 98.7 | Very high | 98.1 | Very high | 122 Ų | 122 | 96.7 Ų | 96.7 | 64% | 0.639 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64 | -40.3 | 175.6 | -71.6 | 174.4 | 0 | 0 | 0 | 111.9 | E69 I70 Q71 K76 S77 | E69-L73 WeakPolarHBondContact O-CG 3.46Å; E69-L73 PolarHBondContact O-N 3.18Å; I70-L73 PolarHBondContact O-N 3.25Å; Q71-L73 VanDerWaalsContact C-N 3.3Å; Q71-L73 PolarHBondContact O-N 3.43Å; L73-K76 PolarHBondContact O-N 3.05Å; L73-S77 WeakPolarHBondContact O-CB 3.47Å; L73-S77 PolarHBondContact O-N 3.48Å |
| 74 | T | 98.6 | Very high | 98 | Very high | 71 Ų | 71 | 100.5 Ų | 100.5 | 44% | 0.436 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.5 | -46.8 | 178 | -57.3 | 0 | 0 | 0 | 0 | 111.1 | I70 Q71 H72 K76 S77 L78 | I70-T74 WeakPolarHBondContact O-CB 3.47Å; I70-T74 PolarHBondContact O-N 3.36Å; I70-T74 PolarHBondContact O-OG1 3.03Å; Q71-T74 WeakPolarHBondContact O-CB 3.3Å; Q71-T74 PolarHBondContact O-N 2.97Å; H72-T74 VanDerWaalsContact C-N 3.33Å; T74-K76 VanDerWaalsContact C-N 3.34Å; T74-K76 PolarHBondContact O-N 3.31Å; T74-S77 WeakPolarHBondContact O-CB 3.5Å; T74-S77 PolarHBondContact O-N 2.98Å; T74-L78 HydrophobicContact CG2-CD1 4.1Å; T74-L78 WeakPolarHBondContact O-CG 3.43Å; T74-L78 PolarHBondContact O-N 3.3Å |
| 75 | E | 98.6 | Very high | 97.8 | Very high | 98 Ų | 98 | 100.2 Ų | 100.2 | 46% | 0.458 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.1 | -44.9 | 176.9 | -71.8 | 174 | -178.3 | 0 | 0 | 111.5 | Q71 S77 L78 Y79 | Q71-E75 HydrophobicContact CG-CG 4.37Å; Q71-E75 VanDerWaalsContact CG-OE1 3.3Å; Q71-E75 WeakPolarHBondContact CG-OE1 3.4Å; Q71-E75 PolarHBondContact NE2-OE1 3.31Å; Q71-E75 WeakPolarHBondContact O-CG 3.45Å; Q71-E75 PolarHBondContact O-N 3.32Å; E75-S77 VanDerWaalsContact C-N 3.35Å; E75-S77 PolarHBondContact O-N 2.99Å; E75-L78 PolarHBondContact O-N 3.38Å; E75-Y79 WeakPolarHBondContact O-CB 3.45Å; E75-Y79 PolarHBondContact O-N 2.94Å |
| 76 | K | 98.6 | Very high | 97.6 | Very high | 138 Ų | 138 | 101.2 Ų | 101.2 | 60% | 0.6 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.1 | -41.1 | 175.9 | -172.2 | 178.5 | -177.8 | 178.1 | 0 | 112.1 | H72 L73 T74 N80 | H72-K76 WeakPolarHBondContact O-CB 3.33Å; H72-K76 PolarHBondContact O-N 3.27Å; L73-K76 PolarHBondContact O-N 3.05Å; T74-K76 VanDerWaalsContact C-N 3.34Å; T74-K76 PolarHBondContact O-N 3.31Å; K76-N80 WeakPolarHBondContact O-CB 3.37Å; K76-N80 VanDerWaalsContact O-CG 3.32Å; K76-N80 PolarHBondContact O-N 3.45Å; K76-N80 PolarHBondContact O-ND2 3.33Å |
| 77 | S | 98.3 | Very high | 97.1 | Very high | 74 Ų | 74 | 104.2 Ų | 104.2 | 52% | 0.517 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.8 | -49.6 | 177.5 | -173.6 | 0 | 0 | 0 | 0 | 111.8 | L73 T74 E75 Y79 N80 Q81 | L73-S77 WeakPolarHBondContact O-CB 3.47Å; L73-S77 PolarHBondContact O-N 3.48Å; T74-S77 WeakPolarHBondContact O-CB 3.5Å; T74-S77 PolarHBondContact O-N 2.98Å; E75-S77 VanDerWaalsContact C-N 3.35Å; E75-S77 PolarHBondContact O-N 2.99Å; S77-Y79 VanDerWaalsContact C-N 3.35Å; S77-Y79 PolarHBondContact O-N 3.42Å; S77-N80 PolarHBondContact O-N 3.44Å; S77-Q81 WeakPolarHBondContact O-CB 3.39Å; S77-Q81 PolarHBondContact O-N 2.99Å |
| 78 | L | 98.4 | Very high | 96.6 | Very high | 98 Ų | 98 | 105.1 Ų | 105.1 | 51% | 0.513 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.7 | -40.6 | 178.8 | -69.7 | 172 | 0 | 0 | 0 | 112.2 | T74 E75 Q81 R82 | T74-L78 HydrophobicContact CG2-CD1 4.1Å; T74-L78 WeakPolarHBondContact O-CG 3.43Å; T74-L78 PolarHBondContact O-N 3.3Å; E75-L78 PolarHBondContact O-N 3.38Å; L78-Q81 PolarHBondContact O-N 3.44Å; L78-R82 PolarHBondContact O-N 3.16Å |
| 79 | Y | 98.4 | Very high | 95.7 | Very high | 142 Ų | 142 | 109.1 Ų | 109.1 | 56% | 0.557 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.3 | -48 | 174.5 | 177.5 | -97.7 | 0 | 0 | 0 | 111.6 | E75 S77 Q81 R82 L83 | E75-Y79 WeakPolarHBondContact O-CB 3.45Å; E75-Y79 PolarHBondContact O-N 2.94Å; S77-Y79 VanDerWaalsContact C-N 3.35Å; S77-Y79 PolarHBondContact O-N 3.42Å; Y79-Q81 VanDerWaalsContact C-N 3.33Å; Y79-Q81 PolarHBondContact O-N 3.23Å; Y79-R82 PolarHBondContact O-N 3.41Å; Y79-L83 PolarHBondContact O-N 2.89Å |
| 80 | N | 97.7 | Very high | 94.3 | Very high | 65 Ų | 65 | 114.5 Ų | 114.5 | 35% | 0.348 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64 | -38.1 | 178 | -75 | -38.7 | 0 | 0 | 0 | 112.4 | K76 S77 L83 R84 | K76-N80 WeakPolarHBondContact O-CB 3.37Å; K76-N80 VanDerWaalsContact O-CG 3.32Å; K76-N80 PolarHBondContact O-N 3.45Å; K76-N80 PolarHBondContact O-ND2 3.33Å; S77-N80 PolarHBondContact O-N 3.44Å; N80-L83 PolarHBondContact O-N 3.02Å; N80-R84 WeakPolarHBondContact O-CG 3.36Å; N80-R84 PolarHBondContact O-N 3.33Å |
| 81 | Q | 97.5 | Very high | 92.5 | Very high | 110 Ų | 110 | 112.8 Ų | 112.8 | 51% | 0.514 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.3 | -46.1 | 175.1 | -177.1 | 179.8 | -4.7 | 0 | 0 | 111.2 | S77 L78 Y79 L83 R84 L85 | S77-Q81 WeakPolarHBondContact O-CB 3.39Å; S77-Q81 PolarHBondContact O-N 2.99Å; L78-Q81 PolarHBondContact O-N 3.44Å; Y79-Q81 VanDerWaalsContact C-N 3.33Å; Y79-Q81 PolarHBondContact O-N 3.23Å; Q81-L83 VanDerWaalsContact C-N 3.33Å; Q81-L83 PolarHBondContact O-N 3.1Å; Q81-R84 PolarHBondContact O-N 2.98Å; Q81-L85 WeakPolarHBondContact O-CG 3.47Å; Q81-L85 PolarHBondContact O-N 3.05Å; Q81-L85 VanDerWaalsContact O-N 3.1Å |
| 82 | R | 97 | Very high | 90.4 | Very high | 162 Ų | 162 | 111.5 Ų | 111.5 | 61% | 0.611 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -59.2 | -45 | 175.4 | -178.6 | -178.7 | -63.9 | 158.5 | 1.9 | 111.7 | L78 Y79 R84 L85 Q86 | L78-R82 PolarHBondContact O-N 3.16Å; Y79-R82 PolarHBondContact O-N 3.41Å; R82-R84 VanDerWaalsContact C-N 3.34Å; R82-R84 PolarHBondContact O-N 3.48Å; R82-L85 PolarHBondContact O-N 3.02Å; R82-Q86 WeakPolarHBondContact O-CG 3.48Å; R82-Q86 PolarHBondContact O-N 2.7Å |
| 83 | L | 96.1 | Very high | 88.2 | Confident | 67 Ų | 67 | 109.5 Ų | 109.5 | 35% | 0.351 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -62.6 | -41.4 | -179.9 | -174.8 | 64.2 | 0 | 0 | 0 | 111.9 | Y79 N80 Q81 Q86 N87 | Y79-L83 PolarHBondContact O-N 2.89Å; N80-L83 PolarHBondContact O-N 3.02Å; Q81-L83 VanDerWaalsContact C-N 3.33Å; Q81-L83 PolarHBondContact O-N 3.1Å; L83-Q86 PolarHBondContact O-N 3.45Å; L83-N87 WeakPolarHBondContact O-CB 3.48Å; L83-N87 PolarHBondContact O-N 3.01Å; L83-N87 PolarHBondContact O-ND2 2.92Å |
| 84 | R | 94.8 | Very high | 86.2 | Confident | 178 Ų | 178 | 107.5 Ų | 107.5 | 67% | 0.672 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -58.6 | -50.3 | 174.7 | -74.1 | 177.3 | -178.1 | -172.8 | 0.5 | 111.5 | N80 Q81 R82 Q86 N87 E88 | N80-R84 WeakPolarHBondContact O-CG 3.36Å; N80-R84 PolarHBondContact O-N 3.33Å; Q81-R84 PolarHBondContact O-N 2.98Å; R82-R84 VanDerWaalsContact C-N 3.34Å; R82-R84 PolarHBondContact O-N 3.48Å; R84-Q86 VanDerWaalsContact C-N 3.34Å; R84-Q86 PolarHBondContact O-N 3.45Å; R84-N87 PolarHBondContact O-N 3.33Å; R84-N87 VanDerWaalsContact O-N 3.16Å; R84-E88 WeakPolarHBondContact O-CG 3.38Å; R84-E88 PolarHBondContact O-N 3.02Å |
| 85 | L | 94.3 | Very high | 84.1 | Confident | 82 Ų | 82 | 110 Ų | 110 | 43% | 0.429 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -58.1 | -46.8 | 177.2 | -69.2 | 171.2 | 0 | 0 | 0 | 111.1 | Q81 R82 N87 E88 H89 | Q81-L85 WeakPolarHBondContact O-CG 3.47Å; Q81-L85 PolarHBondContact O-N 3.05Å; Q81-L85 VanDerWaalsContact O-N 3.1Å; R82-L85 PolarHBondContact O-N 3.02Å; L85-N87 VanDerWaalsContact C-N 3.3Å; L85-N87 PolarHBondContact O-N 3.35Å; L85-E88 PolarHBondContact O-N 3.28Å; L85-H89 PolarHBondContact O-N 3.25Å; L85-H89 PolarHBondContact O-ND1 2.97Å |
| 86 | Q | 92.3 | Very high | 82 | Confident | 118 Ų | 118 | 112.9 Ų | 112.9 | 55% | 0.551 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -59.9 | -40.6 | 177.9 | -75.6 | -176.6 | -23.6 | 0 | 0 | 112.8 | R82 L83 R84 H89 R90 | R82-Q86 WeakPolarHBondContact O-CG 3.48Å; R82-Q86 PolarHBondContact O-N 2.7Å; L83-Q86 PolarHBondContact O-N 3.45Å; R84-Q86 VanDerWaalsContact C-N 3.34Å; R84-Q86 PolarHBondContact O-N 3.45Å; Q86-H89 PolarHBondContact O-N 3.36Å; Q86-R90 WeakPolarHBondContact O-CB 3.37Å; Q86-R90 PolarHBondContact O-N 3.34Å |
| 87 | N | 88.8 | Confident | 80.4 | Confident | 91 Ų | 91 | 115.6 Ų | 115.6 | 49% | 0.487 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -67.4 | -39.6 | 177.8 | -69.3 | -23.1 | 0 | 0 | 0 | 112 | L83 R84 L85 R90 G91 | L83-N87 WeakPolarHBondContact O-CB 3.48Å; L83-N87 PolarHBondContact O-N 3.01Å; L83-N87 PolarHBondContact O-ND2 2.92Å; R84-N87 PolarHBondContact O-N 3.33Å; R84-N87 VanDerWaalsContact O-N 3.16Å; L85-N87 VanDerWaalsContact C-N 3.3Å; L85-N87 PolarHBondContact O-N 3.35Å; N87-R90 PolarHBondContact O-N 2.96Å; N87-G91 PolarHBondContact O-N 3.23Å |
| 88 | E | 88.8 | Confident | 79.5 | Confident | 126 Ų | 126 | 117.7 Ų | 117.7 | 59% | 0.589 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -59.9 | -47.5 | 173.8 | -72.4 | 167.5 | -175.5 | 0 | 0 | 111.3 | R84 L85 R90 G91 G92 | R84-E88 WeakPolarHBondContact O-CG 3.38Å; R84-E88 PolarHBondContact O-N 3.02Å; L85-E88 PolarHBondContact O-N 3.28Å; E88-R90 VanDerWaalsContact C-N 3.28Å; E88-R90 PolarHBondContact O-N 3.27Å; E88-G91 PolarHBondContact O-N 3.08Å; E88-G92 PolarHBondContact O-N 3.31Å; E88-G92 VanDerWaalsContact O-N 3.08Å |
| 89 | H | 78.1 | Confident | 78.5 | Confident | 147 Ų | 147 | 118.7 Ų | 118.7 | 68% | 0.681 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -64.8 | -31.2 | 177.5 | -69.7 | 90.1 | 0 | 0 | 0 | 112.9 | L85 Q86 | L85-H89 PolarHBondContact O-N 3.25Å; L85-H89 PolarHBondContact O-ND1 2.97Å; Q86-H89 PolarHBondContact O-N 3.36Å |
| 90 | R | 70.6 | Confident | 77.4 | Confident | 216 Ų | 216 | 117.4 Ų | 117.4 | 82% | 0.815 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -80.8 | -28.2 | 178.7 | -163.9 | 175.9 | 170.5 | -168.5 | -3.5 | 112.9 | Q86 N87 E88 | Q86-R90 WeakPolarHBondContact O-CB 3.37Å; Q86-R90 PolarHBondContact O-N 3.34Å; N87-R90 PolarHBondContact O-N 2.96Å; E88-R90 VanDerWaalsContact C-N 3.28Å; E88-R90 PolarHBondContact O-N 3.27Å |
| 91 | G | 59 | Low | 76.2 | Confident | 67 Ų | 67 | 120.5 Ų | 120.5 | 69% | 0.691 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -79.7 | -22 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | N87 E88 G93 | N87-G91 PolarHBondContact O-N 3.23Å; E88-G91 PolarHBondContact O-N 3.08Å; G91-G93 VanDerWaalsContact C-N 3.32Å |
| 92 | G | 55.2 | Low | 74.9 | Confident | 67 Ų | 67 | 121.2 Ų | 121.2 | 69% | 0.691 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | 1 | 176 | 0 | 0 | 0 | 0 | 0 | 115.5 | E88 | E88-G92 PolarHBondContact O-N 3.31Å; E88-G92 VanDerWaalsContact O-N 3.08Å |
| 93 | G | 53.4 | Low | 73.4 | Confident | 60 Ų | 60 | 118.5 Ų | 118.5 | 62% | 0.619 | 68% | 0.677 | S | S | * | * | trans | -101.8 | 52.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | G91 | G91-G93 VanDerWaalsContact C-N 3.32Š| ||
| 94 | A | 54.7 | Low | 71.8 | Confident | 80 Ų | 80 | 122.1 Ų | 122.1 | 66% | 0.661 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 126.1 | 157 | 0 | 0 | 0 | 0 | 0 | 107 | D96 | A94-D96 PolarHBondContact O-N 2.91Š|
| 95 | P | 55 | Low | 70 | Confident | 124 Ų | 124 | 117.8 Ų | 117.8 | 81% | 0.805 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 123.6 | 168.7 | 26.1 | -30.2 | 0 | 0 | 0 | 108 | ||
| 96 | D | 55.7 | Low | 68 | Low | 158 Ų | 158 | 120.8 Ų | 120.8 | 85% | 0.845 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -55 | 147.3 | 165.3 | -90.6 | -36.9 | 0 | 0 | 0 | 109.7 | A94 | A94-D96 PolarHBondContact O-N 2.91Š|
| 97 | P | 63.9 | Low | 65.8 | Low | 196 Ų | 196 | 121.1 Ų | 121.1 | 100% | 1.273 | 74% | 0.741 | S | S | * | * | trans | -61.6 | 0 | -164.5 | 25.8 | -36.7 | 0 | 0 | 0 | 115.8 |
Retrieved 97 of 97 residues in 20.9 ms
(Link to these results)