| 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 | 82.8 | Confident | 93.7 | Very high | 180 Ų | 180 | 127.7 Ų | 127.7 | 89% | 0.887 | 59% | 0.585 | S | S | * | * | 0 | -81.6 | 0 | -67.6 | -96.9 | -107.7 | 0 | 0 | 113 | E3 E4 L5 | M1-E3 VanDerWaalsContact C-N 3.32Å; M1-E3 PolarHBondContact O-N 3.28Å; M1-E4 PolarHBondContact N-OE1 2.87Å; M1-E4 PolarHBondContact O-N 3.08Å; M1-L5 PolarHBondContact O-N 3.45Å | |||
| 2 | R | 92.4 | Very high | 93.9 | Very high | 228 Ų | 228 | 123.7 Ų | 123.7 | 86% | 0.86 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -60.1 | -40.1 | -179.8 | -76.6 | -167.7 | 178.4 | 104.5 | 1 | 113.5 | L5 R6 | R2-L5 PolarHBondContact O-N 3.24Å; R2-R6 PolarHBondContact O-N 3.12Å |
| 3 | E | 94.8 | Very high | 93.9 | Very high | 117 Ų | 117 | 121 Ų | 121 | 55% | 0.547 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67 | -36.1 | 177.7 | -177.5 | 58.3 | -167.4 | 0 | 0 | 112.7 | M1 R6 K7 | M1-E3 VanDerWaalsContact C-N 3.32Å; M1-E3 PolarHBondContact O-N 3.28Å; E3-R6 PolarHBondContact O-N 3.27Å; E3-R6 IonicContact OE1-CZ 3.31Å; E3-R6 IonicContact OE1-NE 2.98Å; E3-R6 PolarHBondContact OE1-NE 3.28Å; E3-R6 IonicContact OE1-NH2 2.69Å; E3-R6 PolarHBondContact OE1-NH2 3.12Å; E3-R6 IonicContact OE2-CZ 2.58Å; E3-R6 IonicContact OE2-NE 3.46Å; E3-R6 PolarHBondContact OE2-NE 2.96Å; E3-R6 IonicContact OE2-NH2 3.07Å; E3-K7 WeakPolarHBondContact O-CB 3.27Å; E3-K7 PolarHBondContact O-N 2.69Å |
| 4 | E | 94.2 | Very high | 94.2 | Very high | 126 Ų | 126 | 118 Ų | 118 | 59% | 0.589 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.3 | -43.1 | 174.1 | -72.4 | 152.6 | -117.9 | 0 | 0 | 111.1 | M1 R6 K7 T8 | M1-E4 PolarHBondContact N-OE1 2.87Å; M1-E4 PolarHBondContact O-N 3.08Å; E4-R6 PolarHBondContact O-N 2.9Å; E4-K7 PolarHBondContact O-N 3.39Å; E4-T8 PolarHBondContact O-N 3.18Å; E4-T8 PolarHBondContact O-OG1 2.79Å; E4-T8 VanDerWaalsContact O-OG1 3.11Å |
| 5 | L | 92.4 | Very high | 94.4 | Very high | 106 Ų | 106 | 115.8 Ų | 115.8 | 56% | 0.555 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -59 | -48.1 | 174.9 | -169.9 | 79.9 | 0 | 0 | 0 | 111.1 | M1 R2 K7 T8 E9 | M1-L5 PolarHBondContact O-N 3.45Å; R2-L5 PolarHBondContact O-N 3.24Å; L5-K7 VanDerWaalsContact C-N 3.3Å; L5-K7 PolarHBondContact O-N 3.18Å; L5-T8 WeakPolarHBondContact O-CB 3.47Å; L5-T8 PolarHBondContact O-N 3.43Å; L5-T8 VanDerWaalsContact O-N 3.12Å; L5-E9 WeakPolarHBondContact O-CG 3.28Å; L5-E9 PolarHBondContact O-N 3.42Å |
| 6 | R | 94.9 | Very high | 94.3 | Very high | 104 Ų | 104 | 119.8 Ų | 119.8 | 39% | 0.392 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -56 | -45.8 | 176.4 | -173.3 | -171.9 | 72.7 | 82.4 | 3.3 | 111.2 | R2 E3 E4 T8 E9 E10 | R2-R6 PolarHBondContact O-N 3.12Å; E3-R6 PolarHBondContact O-N 3.27Å; E3-R6 IonicContact OE1-CZ 3.31Å; E3-R6 IonicContact OE1-NE 2.98Å; E3-R6 PolarHBondContact OE1-NE 3.28Å; E3-R6 IonicContact OE1-NH2 2.69Å; E3-R6 PolarHBondContact OE1-NH2 3.12Å; E3-R6 IonicContact OE2-CZ 2.58Å; E3-R6 IonicContact OE2-NE 3.46Å; E3-R6 PolarHBondContact OE2-NE 2.96Å; E3-R6 IonicContact OE2-NH2 3.07Å; E4-R6 PolarHBondContact O-N 2.9Å; R6-T8 PolarHBondContact O-N 3.02Å; R6-E9 PolarHBondContact O-N 3.17Å; R6-E10 IonicContact CZ-OE1 2.78Å; R6-E10 IonicContact CZ-OE2 3.01Å; R6-E10 IonicContact NH1-OE1 3.78Å; R6-E10 PolarHBondContact NH1-OE1 2.85Å; R6-E10 IonicContact NH1-OE2 3.71Å; R6-E10 PolarHBondContact NH1-OE2 3.34Å; R6-E10 VanDerWaalsContact NH1-OE2 3.07Å; R6-E10 WeakPolarHBondContact O-CG 3.47Å; R6-E10 PolarHBondContact O-N 3.34Å |
| 7 | K | 95.6 | Very high | 94.2 | Very high | 143 Ų | 143 | 119.7 Ų | 119.7 | 62% | 0.622 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62 | -41.9 | 177.1 | -172.9 | -179.5 | 178 | -175.6 | 0 | 112 | E3 E4 L5 E10 E11 | E3-K7 WeakPolarHBondContact O-CB 3.27Å; E3-K7 PolarHBondContact O-N 2.69Å; E4-K7 PolarHBondContact O-N 3.39Å; L5-K7 VanDerWaalsContact C-N 3.3Å; L5-K7 PolarHBondContact O-N 3.18Å; K7-E10 PolarHBondContact O-N 2.87Å; K7-E11 WeakPolarHBondContact O-CB 3.41Å; K7-E11 PolarHBondContact O-N 3.4Å |
| 8 | T | 95.2 | Very high | 94.4 | Very high | 74 Ų | 74 | 116.8 Ų | 116.8 | 45% | 0.454 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.6 | -40.8 | 175.5 | -60.3 | 0 | 0 | 0 | 0 | 112 | E4 L5 R6 E11 I12 | E4-T8 PolarHBondContact O-N 3.18Å; E4-T8 PolarHBondContact O-OG1 2.79Å; E4-T8 VanDerWaalsContact O-OG1 3.11Å; L5-T8 WeakPolarHBondContact O-CB 3.47Å; L5-T8 PolarHBondContact O-N 3.43Å; L5-T8 VanDerWaalsContact O-N 3.12Å; R6-T8 PolarHBondContact O-N 3.02Å; T8-E11 PolarHBondContact O-N 3.4Å; T8-I12 HydrophobicContact CG2-CD1 4.02Å; T8-I12 VanDerWaalsContact O-CG1 3.28Å; T8-I12 WeakPolarHBondContact O-CG1 3.39Å; T8-I12 PolarHBondContact O-N 3.37Å |
| 9 | E | 95.9 | Very high | 94.5 | Very high | 117 Ų | 117 | 115.8 Ų | 115.8 | 55% | 0.547 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64 | -41.7 | 176.6 | -72.5 | 175.6 | 158 | 0 | 0 | 112.1 | L5 R6 I12 N13 | L5-E9 WeakPolarHBondContact O-CG 3.28Å; L5-E9 PolarHBondContact O-N 3.42Å; R6-E9 PolarHBondContact O-N 3.17Å; E9-I12 PolarHBondContact O-N 3.24Å; E9-N13 PolarHBondContact O-N 2.8Å |
| 10 | E | 96.5 | Very high | 94.4 | Very high | 97 Ų | 97 | 113 Ų | 113 | 45% | 0.453 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62 | -45.5 | 174.1 | -75.2 | 174.8 | 179.4 | 0 | 0 | 111.5 | R6 K7 I12 N13 T14 | R6-E10 IonicContact CZ-OE1 2.78Å; R6-E10 IonicContact CZ-OE2 3.01Å; R6-E10 IonicContact NH1-OE1 3.78Å; R6-E10 PolarHBondContact NH1-OE1 2.85Å; R6-E10 IonicContact NH1-OE2 3.71Å; R6-E10 PolarHBondContact NH1-OE2 3.34Å; R6-E10 VanDerWaalsContact NH1-OE2 3.07Å; R6-E10 WeakPolarHBondContact O-CG 3.47Å; R6-E10 PolarHBondContact O-N 3.34Å; K7-E10 PolarHBondContact O-N 2.87Å; E10-I12 PolarHBondContact O-N 3.05Å; E10-N13 WeakPolarHBondContact O-CB 3.38Å; E10-N13 PolarHBondContact O-N 3.12Å; E10-T14 PolarHBondContact O-N 3.05Å; E10-T14 PolarHBondContact O-OG1 3.04Å; E10-T14 VanDerWaalsContact O-OG1 3.11Å |
| 11 | E | 96.3 | Very high | 94.4 | Very high | 113 Ų | 113 | 110.5 Ų | 110.5 | 53% | 0.528 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -61.1 | -44.2 | 175.9 | -172.9 | 176.8 | 169.7 | 0 | 0 | 111.8 | K7 T8 N13 T14 L15 | K7-E11 WeakPolarHBondContact O-CB 3.41Å; K7-E11 PolarHBondContact O-N 3.4Å; T8-E11 PolarHBondContact O-N 3.4Å; E11-N13 VanDerWaalsContact C-N 3.29Å; E11-N13 PolarHBondContact O-N 3.19Å; E11-T14 PolarHBondContact O-N 2.95Å; E11-L15 HydrophobicContact CG-CD1 4.17Å; E11-L15 HydrophobicContact CG-CG 4.36Å; E11-L15 WeakPolarHBondContact O-CB 3.45Å; E11-L15 VanDerWaalsContact O-CG 3.28Å; E11-L15 WeakPolarHBondContact O-CG 3.4Å; E11-L15 PolarHBondContact O-N 3.37Å |
| 12 | I | 95.7 | Very high | 94.9 | Very high | 79 Ų | 79 | 110.2 Ų | 110.2 | 41% | 0.405 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.6 | -43.4 | 175 | -71.7 | 166.3 | 0 | 0 | 0 | 110.6 | T8 E9 E10 L15 R16 | T8-I12 HydrophobicContact CG2-CD1 4.02Å; T8-I12 VanDerWaalsContact O-CG1 3.28Å; T8-I12 WeakPolarHBondContact O-CG1 3.39Å; T8-I12 PolarHBondContact O-N 3.37Å; E9-I12 PolarHBondContact O-N 3.24Å; E10-I12 PolarHBondContact O-N 3.05Å; I12-L15 PolarHBondContact O-N 3.36Å; I12-R16 VanDerWaalsContact O-CG 3.32Å; I12-R16 WeakPolarHBondContact O-CG 3.12Å; I12-R16 PolarHBondContact O-N 3.08Å |
| 13 | N | 94.6 | Very high | 94.6 | Very high | 89 Ų | 89 | 105.6 Ų | 105.6 | 48% | 0.476 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.1 | -45.7 | 178.3 | -168.7 | -1.4 | 0 | 0 | 0 | 111 | E9 E10 E11 L15 R16 Q17 | E9-N13 PolarHBondContact O-N 2.8Å; E10-N13 WeakPolarHBondContact O-CB 3.38Å; E10-N13 PolarHBondContact O-N 3.12Å; E11-N13 VanDerWaalsContact C-N 3.29Å; E11-N13 PolarHBondContact O-N 3.19Å; N13-L15 PolarHBondContact O-N 3.23Å; N13-R16 PolarHBondContact O-N 3.14Å; N13-Q17 WeakPolarHBondContact O-CG 3.47Å; N13-Q17 PolarHBondContact O-N 3.49Å; N13-Q17 VanDerWaalsContact O-N 3.09Å; N13-Q17 PolarHBondContact OD1-NE2 2.65Å |
| 14 | T | 97 | Very high | 94.2 | Very high | 79 Ų | 79 | 106.6 Ų | 106.6 | 49% | 0.485 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.1 | -46.4 | 174.2 | -58.6 | 0 | 0 | 0 | 0 | 111.6 | E10 E11 R16 Q17 V18 | E10-T14 PolarHBondContact O-N 3.05Å; E10-T14 PolarHBondContact O-OG1 3.04Å; E10-T14 VanDerWaalsContact O-OG1 3.11Å; E11-T14 PolarHBondContact O-N 2.95Å; T14-R16 VanDerWaalsContact C-N 3.32Å; T14-R16 PolarHBondContact O-N 2.88Å; T14-Q17 WeakPolarHBondContact O-CB 3.42Å; T14-Q17 PolarHBondContact O-N 3.41Å; T14-Q17 VanDerWaalsContact O-N 3.15Å; T14-V18 HydrophobicContact CG2-CG2 4.3Å; T14-V18 VanDerWaalsContact O-CG2 3.31Å; T14-V18 WeakPolarHBondContact O-CG2 3.36Å; T14-V18 PolarHBondContact O-N 3.03Å |
| 15 | L | 97.5 | Very high | 93.9 | Very high | 85 Ų | 85 | 105.8 Ų | 105.8 | 45% | 0.445 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.8 | -39 | 178.7 | -72 | 175.6 | 0 | 0 | 0 | 112 | E11 I12 N13 Q17 V18 I19 | E11-L15 HydrophobicContact CG-CD1 4.17Å; E11-L15 HydrophobicContact CG-CG 4.36Å; E11-L15 WeakPolarHBondContact O-CB 3.45Å; E11-L15 VanDerWaalsContact O-CG 3.28Å; E11-L15 WeakPolarHBondContact O-CG 3.4Å; E11-L15 PolarHBondContact O-N 3.37Å; I12-L15 PolarHBondContact O-N 3.36Å; N13-L15 PolarHBondContact O-N 3.23Å; L15-Q17 VanDerWaalsContact C-N 3.35Å; L15-Q17 PolarHBondContact O-N 3.15Å; L15-V18 PolarHBondContact O-N 3.46Å; L15-I19 WeakPolarHBondContact O-CB 3.48Å; L15-I19 WeakPolarHBondContact O-CD1 3.24Å; L15-I19 WeakPolarHBondContact O-CG1 3.4Å; L15-I19 PolarHBondContact O-N 3.04Å |
| 16 | R | 92.9 | Very high | 93.5 | Very high | 179 Ų | 179 | 102.8 Ų | 102.8 | 68% | 0.675 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.4 | -44.6 | 173.7 | -75.2 | 173.4 | 177.1 | -177.3 | 0.7 | 111.8 | I12 N13 T14 I19 A20 | I12-R16 VanDerWaalsContact O-CG 3.32Å; I12-R16 WeakPolarHBondContact O-CG 3.12Å; I12-R16 PolarHBondContact O-N 3.08Å; N13-R16 PolarHBondContact O-N 3.14Å; T14-R16 VanDerWaalsContact C-N 3.32Å; T14-R16 PolarHBondContact O-N 2.88Å; R16-I19 PolarHBondContact O-N 3.05Å; R16-A20 WeakPolarHBondContact O-CB 3.46Å; R16-A20 PolarHBondContact O-N 3.21Å |
| 17 | Q | 93.4 | Very high | 92.7 | Very high | 119 Ų | 119 | 100.4 Ų | 100.4 | 56% | 0.556 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64 | -42.9 | 176.5 | -66.5 | 173.6 | 39.1 | 0 | 0 | 111.2 | N13 T14 L15 A20 A21 | N13-Q17 WeakPolarHBondContact O-CG 3.47Å; N13-Q17 PolarHBondContact O-N 3.49Å; N13-Q17 VanDerWaalsContact O-N 3.09Å; N13-Q17 PolarHBondContact OD1-NE2 2.65Å; T14-Q17 WeakPolarHBondContact O-CB 3.42Å; T14-Q17 PolarHBondContact O-N 3.41Å; T14-Q17 VanDerWaalsContact O-N 3.15Å; L15-Q17 VanDerWaalsContact C-N 3.35Å; L15-Q17 PolarHBondContact O-N 3.15Å; Q17-A20 PolarHBondContact O-N 3.26Å; Q17-A21 WeakPolarHBondContact O-CB 3.18Å; Q17-A21 PolarHBondContact O-N 2.83Å |
| 18 | V | 97.7 | Very high | 92.1 | Very high | 68 Ų | 68 | 96.6 Ų | 96.6 | 41% | 0.412 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 176.4 | 171.3 | 0 | 0 | 0 | 0 | 111 | T14 L15 A21 R22 | T14-V18 HydrophobicContact CG2-CG2 4.3Å; T14-V18 VanDerWaalsContact O-CG2 3.31Å; T14-V18 WeakPolarHBondContact O-CG2 3.36Å; T14-V18 PolarHBondContact O-N 3.03Å; L15-V18 PolarHBondContact O-N 3.46Å; V18-A21 PolarHBondContact O-N 3.34Å; V18-R22 HydrophobicContact CG1-CG 4.15Å; V18-R22 WeakPolarHBondContact O-CB 3.34Å; V18-R22 WeakPolarHBondContact O-CG 3.5Å; V18-R22 PolarHBondContact O-N 2.78Å |
| 19 | I | 96.6 | Very high | 91.6 | Very high | 98 Ų | 98 | 97 Ų | 97 | 50% | 0.503 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.7 | -48.3 | 177.9 | -70.6 | 163.4 | 0 | 0 | 0 | 110.3 | L15 R16 A21 R22 M23 | L15-I19 WeakPolarHBondContact O-CB 3.48Å; L15-I19 WeakPolarHBondContact O-CD1 3.24Å; L15-I19 WeakPolarHBondContact O-CG1 3.4Å; L15-I19 PolarHBondContact O-N 3.04Å; R16-I19 PolarHBondContact O-N 3.05Å; I19-A21 VanDerWaalsContact C-N 3.32Å; I19-A21 PolarHBondContact O-N 3.47Å; I19-R22 PolarHBondContact O-N 3.5Å; I19-R22 VanDerWaalsContact O-N 3.14Å; I19-M23 HydrophobicContact CG2-CG 4.24Å; I19-M23 HydrophobicContact CG2-SD 3.89Å; I19-M23 WeakPolarHBondContact O-CB 3.13Å; I19-M23 VanDerWaalsContact O-CG 3.31Å; I19-M23 WeakPolarHBondContact O-CG 3.28Å; I19-M23 PolarHBondContact O-N 2.77Å |
| 20 | A | 91.4 | Very high | 90.6 | Very high | 59 Ų | 59 | 97.2 Ų | 97.2 | 49% | 0.488 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.2 | -44.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | R16 Q17 R22 M23 K24 | R16-A20 WeakPolarHBondContact O-CB 3.46Å; R16-A20 PolarHBondContact O-N 3.21Å; Q17-A20 PolarHBondContact O-N 3.26Å; A20-R22 PolarHBondContact O-N 2.73Å; A20-M23 PolarHBondContact O-N 3.32Å; A20-K24 WeakPolarHBondContact O-CB 2.99Å; A20-K24 PolarHBondContact O-N 3.3Å |
| 21 | A | 94.1 | Very high | 89.3 | Confident | 60 Ų | 60 | 99.7 Ų | 99.7 | 50% | 0.496 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.7 | -40.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q17 V18 I19 K24 H25 | Q17-A21 WeakPolarHBondContact O-CB 3.18Å; Q17-A21 PolarHBondContact O-N 2.83Å; V18-A21 PolarHBondContact O-N 3.34Å; I19-A21 VanDerWaalsContact C-N 3.32Å; I19-A21 PolarHBondContact O-N 3.47Å; A21-K24 PolarHBondContact O-N 3.47Å; A21-H25 WeakPolarHBondContact O-CB 3.2Å; A21-H25 PolarHBondContact O-N 2.8Å |
| 22 | R | 95 | Very high | 88.3 | Confident | 174 Ų | 174 | 102.7 Ų | 102.7 | 66% | 0.657 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.9 | -38.9 | 177.5 | -72 | -69.4 | -174.8 | -177 | 1.5 | 112.5 | V18 I19 A20 H25 A26 | V18-R22 HydrophobicContact CG1-CG 4.15Å; V18-R22 WeakPolarHBondContact O-CB 3.34Å; V18-R22 WeakPolarHBondContact O-CG 3.5Å; V18-R22 PolarHBondContact O-N 2.78Å; I19-R22 PolarHBondContact O-N 3.5Å; I19-R22 VanDerWaalsContact O-N 3.14Å; A20-R22 PolarHBondContact O-N 2.73Å; R22-H25 PolarHBondContact O-N 2.85Å; R22-A26 WeakPolarHBondContact O-CB 3.26Å; R22-A26 PolarHBondContact O-N 2.83Å |
| 23 | M | 85.1 | Confident | 87.3 | Confident | 131 Ų | 131 | 104.6 Ų | 104.6 | 65% | 0.645 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.5 | -44.8 | 174 | -72 | 177.7 | 76.3 | 0 | 0 | 111.1 | I19 A20 A26 A27 | I19-M23 HydrophobicContact CG2-CG 4.24Å; I19-M23 HydrophobicContact CG2-SD 3.89Å; I19-M23 WeakPolarHBondContact O-CB 3.13Å; I19-M23 VanDerWaalsContact O-CG 3.31Å; I19-M23 WeakPolarHBondContact O-CG 3.28Å; I19-M23 PolarHBondContact O-N 2.77Å; A20-M23 PolarHBondContact O-N 3.32Å; M23-A26 PolarHBondContact O-N 2.86Å; M23-A27 PolarHBondContact O-N 3.49Å |
| 24 | K | 85.9 | Confident | 85.8 | Confident | 139 Ų | 139 | 103.5 Ų | 103.5 | 60% | 0.604 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.8 | -48.7 | 174.2 | -177.3 | 178.6 | 177.7 | 179 | 0 | 111.4 | A20 A21 A26 A27 D28 | A20-K24 WeakPolarHBondContact O-CB 2.99Å; A20-K24 PolarHBondContact O-N 3.3Å; A21-K24 PolarHBondContact O-N 3.47Å; K24-A26 VanDerWaalsContact C-N 3.26Å; K24-A26 PolarHBondContact O-N 2.81Å; K24-A27 WeakPolarHBondContact O-CB 3.19Å; K24-A27 PolarHBondContact O-N 3.38Å; K24-D28 VanDerWaalsContact O-CG 3.3Å; K24-D28 PolarHBondContact O-N 2.76Å |
| 25 | H | 89 | Confident | 84 | Confident | 109 Ų | 109 | 103 Ų | 103 | 51% | 0.505 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.6 | -38.1 | 177.2 | -176.5 | -93.3 | 0 | 0 | 0 | 112.2 | A21 R22 L29 | A21-H25 WeakPolarHBondContact O-CB 3.2Å; A21-H25 PolarHBondContact O-N 2.8Å; R22-H25 PolarHBondContact O-N 2.85Å; H25-L29 WeakPolarHBondContact O-CB 3.41Å; H25-L29 PolarHBondContact O-N 2.83Å |
| 26 | A | 84.1 | Confident | 82.3 | Confident | 43 Ų | 43 | 100.9 Ų | 100.9 | 36% | 0.355 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.4 | -39.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | R22 M23 K24 K30 | R22-A26 WeakPolarHBondContact O-CB 3.26Å; R22-A26 PolarHBondContact O-N 2.83Å; M23-A26 PolarHBondContact O-N 2.86Å; K24-A26 VanDerWaalsContact C-N 3.26Å; K24-A26 PolarHBondContact O-N 2.81Å; A26-K30 WeakPolarHBondContact O-CB 3.13Å; A26-K30 WeakPolarHBondContact O-CG 3.45Å; A26-K30 PolarHBondContact O-N 3.32Å |
| 27 | A | 78.5 | Confident | 80.6 | Confident | 54 Ų | 54 | 94.3 Ų | 94.3 | 45% | 0.446 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65 | -46.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | M23 K24 L29 K30 Q31 | M23-A27 PolarHBondContact O-N 3.49Å; K24-A27 WeakPolarHBondContact O-CB 3.19Å; K24-A27 PolarHBondContact O-N 3.38Å; A27-L29 VanDerWaalsContact C-N 3.31Å; A27-L29 PolarHBondContact O-N 3.41Å; A27-K30 WeakPolarHBondContact O-CB 3.5Å; A27-K30 PolarHBondContact O-N 2.73Å; A27-Q31 PolarHBondContact O-N 2.69Å |
| 28 | D | 82.3 | Confident | 78.9 | Confident | 62 Ų | 62 | 97.2 Ų | 97.2 | 33% | 0.332 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62 | -40.6 | 177.1 | -65.6 | -13.6 | 0 | 0 | 0 | 111 | K24 Q31 K32 | K24-D28 VanDerWaalsContact O-CG 3.3Å; K24-D28 PolarHBondContact O-N 2.76Å; D28-Q31 PolarHBondContact O-N 3.37Å; D28-K32 WeakPolarHBondContact O-CB 3.27Å; D28-K32 VanDerWaalsContact O-CG 3.28Å; D28-K32 WeakPolarHBondContact O-CG 3.26Å; D28-K32 PolarHBondContact O-N 2.72Å |
| 29 | L | 84.7 | Confident | 77.2 | Confident | 82 Ų | 82 | 101.3 Ų | 101.3 | 43% | 0.429 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.9 | -42.1 | 176.6 | -171 | 62.5 | 0 | 0 | 0 | 111.5 | H25 A27 K32 L33 | H25-L29 WeakPolarHBondContact O-CB 3.41Å; H25-L29 PolarHBondContact O-N 2.83Å; A27-L29 VanDerWaalsContact C-N 3.31Å; A27-L29 PolarHBondContact O-N 3.41Å; L29-K32 PolarHBondContact O-N 3.48Å; L29-L33 HydrophobicContact CD1-CD1 4.41Å; L29-L33 HydrophobicContact CD1-CG 4.49Å; L29-L33 HydrophobicContact CG-CD1 4Å; L29-L33 WeakPolarHBondContact O-CB 3.3Å; L29-L33 WeakPolarHBondContact O-CG 3.37Å; L29-L33 PolarHBondContact O-N 2.68Å |
| 30 | K | 74.6 | Confident | 75.5 | Confident | 123 Ų | 123 | 102.4 Ų | 102.4 | 54% | 0.535 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -58.3 | -47.7 | 173.3 | -76.1 | 172 | 179.9 | -172.4 | 0 | 111.1 | A26 A27 K32 L33 V35 | A26-K30 WeakPolarHBondContact O-CB 3.13Å; A26-K30 WeakPolarHBondContact O-CG 3.45Å; A26-K30 PolarHBondContact O-N 3.32Å; A27-K30 WeakPolarHBondContact O-CB 3.5Å; A27-K30 PolarHBondContact O-N 2.73Å; K30-K32 PolarHBondContact O-N 2.74Å; K30-L33 PolarHBondContact O-N 2.9Å; K30-V35 CarbonylContact C-O 3.55Å; K30-V35 WeakPolarHBondContact O-CB 3.05Å; K30-V35 PolarHBondContact O-N 3.43Å |
| 31 | Q | 68.1 | Low | 74.3 | Confident | 149 Ų | 149 | 103.5 Ų | 103.5 | 70% | 0.696 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -59.9 | -46.1 | 177.4 | -174 | -175.6 | 6.7 | 0 | 0 | 112 | A27 D28 L33 G34 | A27-Q31 PolarHBondContact O-N 2.69Å; D28-Q31 PolarHBondContact O-N 3.37Å; Q31-L33 VanDerWaalsContact C-N 3.29Å; Q31-L33 PolarHBondContact O-N 2.67Å; Q31-G34 PolarHBondContact O-N 2.79Å; Q31-G34 VanDerWaalsContact O-N 3.14Å |
| 32 | K | 76.1 | Confident | 73 | Confident | 176 Ų | 176 | 106.1 Ų | 106.1 | 77% | 0.765 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.8 | -33.5 | 177.9 | -76.4 | 175.9 | -179.2 | -178.7 | 0 | 113.1 | D28 L29 K30 G34 | D28-K32 WeakPolarHBondContact O-CB 3.27Å; D28-K32 VanDerWaalsContact O-CG 3.28Å; D28-K32 WeakPolarHBondContact O-CG 3.26Å; D28-K32 PolarHBondContact O-N 2.72Å; L29-K32 PolarHBondContact O-N 3.48Å; K30-K32 PolarHBondContact O-N 2.74Å; K32-G34 PolarHBondContact O-N 2.69Å |
| 33 | L | 75.8 | Confident | 71.7 | Confident | 118 Ų | 118 | 103.6 Ų | 103.6 | 62% | 0.618 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | 2.6 | 178.1 | -71.3 | 170.2 | 0 | 0 | 0 | 112.7 | L29 K30 Q31 V35 | L29-L33 HydrophobicContact CD1-CD1 4.41Å; L29-L33 HydrophobicContact CD1-CG 4.49Å; L29-L33 HydrophobicContact CG-CD1 4Å; L29-L33 WeakPolarHBondContact O-CB 3.3Å; L29-L33 WeakPolarHBondContact O-CG 3.37Å; L29-L33 PolarHBondContact O-N 2.68Å; K30-L33 PolarHBondContact O-N 2.9Å; Q31-L33 VanDerWaalsContact C-N 3.29Å; Q31-L33 PolarHBondContact O-N 2.67Å; L33-V35 HydrophobicContact CB-CG2 3.76Å; L33-V35 PolarHBondContact O-N 3.13Å |
| 34 | G | 62.4 | Low | 71.1 | Confident | 66 Ų | 66 | 102.6 Ų | 102.6 | 68% | 0.68 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.8 | 9.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q31 K32 G36 | Q31-G34 PolarHBondContact O-N 2.79Å; Q31-G34 VanDerWaalsContact O-N 3.14Å; K32-G34 PolarHBondContact O-N 2.69Å; G34-G36 PolarHBondContact O-N 2.82Å |
| 35 | V | 58.7 | Low | 70.5 | Confident | 68 Ų | 68 | 99.8 Ų | 99.8 | 41% | 0.412 | 53% | 0.525 | S | S | . | . | trans | -69.6 | 90 | 162.7 | -171.7 | 0 | 0 | 0 | 0 | 101.4 | K30 L33 P37 | K30-V35 CarbonylContact C-O 3.55Å; K30-V35 WeakPolarHBondContact O-CB 3.05Å; K30-V35 PolarHBondContact O-N 3.43Å; L33-V35 HydrophobicContact CB-CG2 3.76Å; L33-V35 PolarHBondContact O-N 3.13Å; V35-P37 HydrophobicContact CB-CG 4.04Å; V35-P37 VanDerWaalsContact CG1-CD 3.45Å; V35-P37 HydrophobicContact CG1-CG 3.15Å; V35-P37 WeakPolarHBondContact O-CD 3.18Å | ||
| 36 | G | 62.7 | Low | 69.6 | Low | 41 Ų | 41 | 98 Ų | 98 | 42% | 0.423 | 53% | 0.525 | S | S | . | . | trans | -93.3 | 33.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | G34 | G34-G36 PolarHBondContact O-N 2.82Š| ||
| 37 | P | 55.7 | Low | 69.1 | Low | 42 Ų | 42 | 100.1 Ų | 100.1 | 27% | 0.273 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -115.3 | 5.3 | -152.2 | 18.1 | 11.6 | 0 | 0 | 0 | 110.6 | V35 I41 | V35-P37 HydrophobicContact CB-CG 4.04Å; V35-P37 VanDerWaalsContact CG1-CD 3.45Å; V35-P37 HydrophobicContact CG1-CG 3.15Å; V35-P37 WeakPolarHBondContact O-CD 3.18Å; P37-I41 HydrophobicContact CB-CD1 4.3Å; P37-I41 WeakPolarHBondContact O-CA 3.11Å; P37-I41 WeakPolarHBondContact O-CB 3.17Å; P37-I41 WeakPolarHBondContact O-CD1 3.24Å; P37-I41 WeakPolarHBondContact O-CG1 3.43Å; P37-I41 PolarHBondContact O-N 3.45Å |
| 38 | W | 59.1 | Low | 68.7 | Low | 179 Ų | 179 | 99.1 Ų | 99.1 | 68% | 0.678 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -79.3 | -30.8 | 170.4 | -169.3 | -96.3 | 0 | 0 | 0 | 110.7 | I41 Q42 | W38-I41 HydrophobicContact CE3-CG2 4.46Å; W38-I41 HydrophobicContact CZ3-CG2 4.4Å; W38-Q42 WeakPolarHBondContact O-CA 3.22Å; W38-Q42 WeakPolarHBondContact O-CB 3.25Å; W38-Q42 PolarHBondContact O-N 3.04Å |
| 39 | Q | 60.8 | Low | 68.1 | Low | 155 Ų | 155 | 101.5 Ų | 101.5 | 72% | 0.724 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -70 | -43.5 | 172.5 | -71.3 | 176.6 | -50.3 | 0 | 0 | 110.4 | Q42 Q43 | Q39-Q42 PolarHBondContact O-N 3.39Å; Q39-Q43 WeakPolarHBondContact O-CB 3.18Å; Q39-Q43 PolarHBondContact O-N 3.46Å |
| 40 | E | 62.7 | Low | 67.3 | Low | 121 Ų | 121 | 103.4 Ų | 103.4 | 57% | 0.565 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64.8 | -46.9 | 173.2 | -64.6 | 173.4 | -165.7 | 0 | 0 | 111.4 | Q42 Q43 D44 | E40-Q42 PolarHBondContact O-N 2.7Å; E40-Q43 CarbonylContact O-C 3.5Å; E40-Q43 PolarHBondContact O-N 2.83Å; E40-D44 VanDerWaalsContact O-CB 3.28Å; E40-D44 WeakPolarHBondContact O-CB 3.36Å; E40-D44 PolarHBondContact O-N 2.94Å |
| 41 | I | 65.5 | Low | 67 | Low | 81 Ų | 81 | 104.2 Ų | 104.2 | 42% | 0.415 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.1 | -40 | 176.1 | -69.3 | 163.2 | 0 | 0 | 0 | 111.5 | P37 W38 Q43 D44 V45 | P37-I41 HydrophobicContact CB-CD1 4.3Å; P37-I41 WeakPolarHBondContact O-CA 3.11Å; P37-I41 WeakPolarHBondContact O-CB 3.17Å; P37-I41 WeakPolarHBondContact O-CD1 3.24Å; P37-I41 WeakPolarHBondContact O-CG1 3.43Å; P37-I41 PolarHBondContact O-N 3.45Å; W38-I41 HydrophobicContact CE3-CG2 4.46Å; W38-I41 HydrophobicContact CZ3-CG2 4.4Å; I41-Q43 VanDerWaalsContact C-N 3.28Å; I41-Q43 PolarHBondContact O-N 2.9Å; I41-D44 PolarHBondContact O-N 2.84Å; I41-V45 HydrophobicContact CG2-CG2 3.97Å; I41-V45 WeakPolarHBondContact O-CB 3.22Å; I41-V45 WeakPolarHBondContact O-CG2 3.17Å; I41-V45 PolarHBondContact O-N 3.47Å |
| 42 | Q | 66.4 | Low | 66.5 | Low | 116 Ų | 116 | 100.5 Ų | 100.5 | 54% | 0.542 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.7 | -39 | 176.1 | -179.1 | -179.6 | -14.5 | 0 | 0 | 110.3 | W38 Q39 E40 S46 | W38-Q42 WeakPolarHBondContact O-CA 3.22Å; W38-Q42 WeakPolarHBondContact O-CB 3.25Å; W38-Q42 PolarHBondContact O-N 3.04Å; Q39-Q42 PolarHBondContact O-N 3.39Å; E40-Q42 PolarHBondContact O-N 2.7Å; Q42-S46 WeakPolarHBondContact O-CB 3.36Å; Q42-S46 PolarHBondContact O-N 3.01Å |
| 43 | Q | 68.4 | Low | 65.6 | Low | 120 Ų | 120 | 99.3 Ų | 99.3 | 56% | 0.561 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -69 | -46.3 | 175.8 | -169.7 | 169 | 4 | 0 | 0 | 110.8 | Q39 E40 I41 V45 S46 E47 | Q39-Q43 WeakPolarHBondContact O-CB 3.18Å; Q39-Q43 PolarHBondContact O-N 3.46Å; E40-Q43 CarbonylContact O-C 3.5Å; E40-Q43 PolarHBondContact O-N 2.83Å; I41-Q43 VanDerWaalsContact C-N 3.28Å; I41-Q43 PolarHBondContact O-N 2.9Å; Q43-V45 PolarHBondContact O-N 2.73Å; Q43-S46 CarbonylContact O-C 3.53Å; Q43-S46 PolarHBondContact O-N 2.7Å; Q43-E47 HydrophobicContact CG-CG 4.35Å; Q43-E47 VanDerWaalsContact O-CB 3.25Å; Q43-E47 WeakPolarHBondContact O-CB 3.15Å; Q43-E47 VanDerWaalsContact O-CG 3.26Å; Q43-E47 WeakPolarHBondContact O-CG 3.12Å; Q43-E47 PolarHBondContact O-N 3.5Å |
| 44 | D | 72.4 | Confident | 64.8 | Low | 111 Ų | 111 | 98.9 Ų | 98.9 | 59% | 0.594 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.6 | -34.3 | 177.9 | -71.7 | -13.6 | 0 | 0 | 0 | 112.7 | E40 I41 G48 | E40-D44 VanDerWaalsContact O-CB 3.28Å; E40-D44 WeakPolarHBondContact O-CB 3.36Å; E40-D44 PolarHBondContact O-N 2.94Å; I41-D44 PolarHBondContact O-N 2.84Å; D44-G48 VanDerWaalsContact O-CA 3.3Å; D44-G48 WeakPolarHBondContact O-CA 3.47Å; D44-G48 PolarHBondContact O-N 3.34Å |
| 45 | V | 72.6 | Confident | 64.5 | Low | 80 Ų | 80 | 97.6 Ų | 97.6 | 49% | 0.485 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -74 | -41 | 172.8 | 170.8 | 0 | 0 | 0 | 0 | 109.9 | I41 Q43 G48 I49 | I41-V45 HydrophobicContact CG2-CG2 3.97Å; I41-V45 WeakPolarHBondContact O-CB 3.22Å; I41-V45 WeakPolarHBondContact O-CG2 3.17Å; I41-V45 PolarHBondContact O-N 3.47Å; Q43-V45 PolarHBondContact O-N 2.73Å; V45-G48 PolarHBondContact O-N 2.95Å; V45-I49 HydrophobicContact CG1-CD1 3.71Å; V45-I49 HydrophobicContact CG1-CG1 4.3Å; V45-I49 VanDerWaalsContact O-CB 3.27Å; V45-I49 WeakPolarHBondContact O-CB 3.22Å; V45-I49 WeakPolarHBondContact O-CD1 3.33Å; V45-I49 WeakPolarHBondContact O-CG1 3.2Å; V45-I49 PolarHBondContact O-N 2.97Å |
| 46 | S | 69.9 | Low | 64.5 | Low | 70 Ų | 70 | 101.7 Ų | 101.7 | 49% | 0.49 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.2 | -44.9 | 175.9 | -174.6 | 0 | 0 | 0 | 0 | 111.2 | Q42 Q43 R50 | Q42-S46 WeakPolarHBondContact O-CB 3.36Å; Q42-S46 PolarHBondContact O-N 3.01Å; Q43-S46 CarbonylContact O-C 3.53Å; Q43-S46 PolarHBondContact O-N 2.7Å; S46-R50 WeakPolarHBondContact O-CB 3.43Å; S46-R50 PolarHBondContact O-N 3.26Å |
| 47 | E | 73.8 | Confident | 64.2 | Low | 89 Ų | 89 | 102.9 Ų | 102.9 | 42% | 0.416 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -71 | -34.4 | 175.3 | -69.8 | -56.6 | 148.6 | 0 | 0 | 111.3 | Q43 R50 F51 | Q43-E47 HydrophobicContact CG-CG 4.35Å; Q43-E47 VanDerWaalsContact O-CB 3.25Å; Q43-E47 WeakPolarHBondContact O-CB 3.15Å; Q43-E47 VanDerWaalsContact O-CG 3.26Å; Q43-E47 WeakPolarHBondContact O-CG 3.12Å; Q43-E47 PolarHBondContact O-N 3.5Å; E47-R50 CarbonylContact O-C 3.58Å; E47-R50 PolarHBondContact O-N 2.66Å; E47-F51 WeakPolarHBondContact O-CA 3.04Å; E47-F51 WeakPolarHBondContact O-CB 3.1Å; E47-F51 PolarHBondContact O-N 3.33Å |
| 48 | G | 70.4 | Confident | 63.9 | Low | 33 Ų | 33 | 107.5 Ų | 107.5 | 34% | 0.34 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.3 | -41.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | D44 V45 R50 V52 | D44-G48 VanDerWaalsContact O-CA 3.3Å; D44-G48 WeakPolarHBondContact O-CA 3.47Å; D44-G48 PolarHBondContact O-N 3.34Å; V45-G48 PolarHBondContact O-N 2.95Å; G48-R50 VanDerWaalsContact C-N 3.32Å; G48-V52 WeakPolarHBondContact O-CB 3.2Å; G48-V52 VanDerWaalsContact O-CG2 3.25Å; G48-V52 WeakPolarHBondContact O-CG2 3.23Å; G48-V52 PolarHBondContact O-N 3.5Å |
| 49 | I | 69.7 | Low | 64 | Low | 112 Ų | 112 | 104.3 Ų | 104.3 | 57% | 0.574 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.6 | -41.4 | 171.5 | -71.5 | 167.9 | 0 | 0 | 0 | 109.9 | V45 V52 K53 | V45-I49 HydrophobicContact CG1-CD1 3.71Å; V45-I49 HydrophobicContact CG1-CG1 4.3Å; V45-I49 VanDerWaalsContact O-CB 3.27Å; V45-I49 WeakPolarHBondContact O-CB 3.22Å; V45-I49 WeakPolarHBondContact O-CD1 3.33Å; V45-I49 WeakPolarHBondContact O-CG1 3.2Å; V45-I49 PolarHBondContact O-N 2.97Å; I49-V52 PolarHBondContact O-N 3.24Å; I49-K53 VanDerWaalsContact O-CB 3.23Å; I49-K53 WeakPolarHBondContact O-CB 3.42Å; I49-K53 PolarHBondContact O-N 3.35Å |
| 50 | R | 68.4 | Low | 63.8 | Low | 121 Ų | 121 | 99.7 Ų | 99.7 | 46% | 0.457 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.9 | -43.6 | 178.8 | -170.6 | 175.5 | 179.9 | -150.6 | -8.7 | 112 | S46 E47 G48 V52 K53 E54 | S46-R50 WeakPolarHBondContact O-CB 3.43Å; S46-R50 PolarHBondContact O-N 3.26Å; E47-R50 CarbonylContact O-C 3.58Å; E47-R50 PolarHBondContact O-N 2.66Å; G48-R50 VanDerWaalsContact C-N 3.32Å; R50-V52 VanDerWaalsContact C-N 3.33Å; R50-V52 PolarHBondContact O-N 3.42Å; R50-K53 CarbonylContact O-C 3.57Å; R50-K53 WeakPolarHBondContact O-CA 3.44Å; R50-K53 WeakPolarHBondContact O-CB 3.37Å; R50-K53 PolarHBondContact O-N 2.76Å; R50-K53 VanDerWaalsContact O-N 3.12Å; R50-E54 HydrophobicContact CG-CG 4.31Å; R50-E54 WeakPolarHBondContact CG-OE1 3.25Å; R50-E54 IonicContact CZ-OE1 3.48Å; R50-E54 VanDerWaalsContact CZ-OE1 3.31Å; R50-E54 IonicContact NE-OE1 3.69Å; R50-E54 PolarHBondContact NE-OE1 3.12Å; R50-E54 IonicContact NH2-OE1 3.85Å; R50-E54 PolarHBondContact NH2-OE1 2.63Å; R50-E54 WeakPolarHBondContact O-CB 3.5Å; R50-E54 WeakPolarHBondContact O-CG 2.76Å; R50-E54 PolarHBondContact O-N 2.92Å |
| 51 | F | 67.5 | Low | 63.5 | Low | 141 Ų | 141 | 97.9 Ų | 97.9 | 62% | 0.618 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.3 | -41.6 | 174.9 | -178.2 | -98.9 | 0 | 0 | 0 | 109.8 | E47 K53 E54 S55 | E47-F51 WeakPolarHBondContact O-CA 3.04Å; E47-F51 WeakPolarHBondContact O-CB 3.1Å; E47-F51 PolarHBondContact O-N 3.33Å; F51-K53 VanDerWaalsContact C-N 3.29Å; F51-K53 PolarHBondContact O-N 2.97Å; F51-E54 PolarHBondContact O-N 3.42Å; F51-S55 WeakPolarHBondContact O-CA 3.33Å; F51-S55 WeakPolarHBondContact O-CB 3.49Å; F51-S55 PolarHBondContact O-N 3.43Å |
| 52 | V | 57 | Low | 63.3 | Low | 71 Ų | 71 | 97.7 Ų | 97.7 | 43% | 0.43 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.7 | -34 | 174.5 | 166.6 | 0 | 0 | 0 | 0 | 111.7 | G48 I49 R50 Y58 | G48-V52 WeakPolarHBondContact O-CB 3.2Å; G48-V52 VanDerWaalsContact O-CG2 3.25Å; G48-V52 WeakPolarHBondContact O-CG2 3.23Å; G48-V52 PolarHBondContact O-N 3.5Å; I49-V52 PolarHBondContact O-N 3.24Å; R50-V52 VanDerWaalsContact C-N 3.33Å; R50-V52 PolarHBondContact O-N 3.42Å; V52-Y58 HydrophobicContact CG1-CD2 3.62Å; V52-Y58 HydrophobicContact CG1-CE2 3.23Å; V52-Y58 WeakPolarHBondContact O-CD2 3.15Å |
| 53 | K | 57.9 | Low | 63.1 | Low | 151 Ų | 151 | 96.1 Ų | 96.1 | 66% | 0.657 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -72.1 | -35.8 | 176.7 | -172.4 | 178.1 | 180 | -177.3 | 0 | 113.3 | I49 R50 F51 | I49-K53 VanDerWaalsContact O-CB 3.23Å; I49-K53 WeakPolarHBondContact O-CB 3.42Å; I49-K53 PolarHBondContact O-N 3.35Å; R50-K53 CarbonylContact O-C 3.57Å; R50-K53 WeakPolarHBondContact O-CA 3.44Å; R50-K53 WeakPolarHBondContact O-CB 3.37Å; R50-K53 PolarHBondContact O-N 2.76Å; R50-K53 VanDerWaalsContact O-N 3.12Å; F51-K53 VanDerWaalsContact C-N 3.29Å; F51-K53 PolarHBondContact O-N 2.97Å |
| 54 | E | 59.2 | Low | 63.1 | Low | 108 Ų | 108 | 96.1 Ų | 96.1 | 51% | 0.505 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -93.3 | -28.6 | -179.4 | -68.5 | 179.5 | -175.3 | 0 | 0 | 112.3 | R50 F51 | R50-E54 HydrophobicContact CG-CG 4.31Å; R50-E54 WeakPolarHBondContact CG-OE1 3.25Å; R50-E54 IonicContact CZ-OE1 3.48Å; R50-E54 VanDerWaalsContact CZ-OE1 3.31Å; R50-E54 IonicContact NE-OE1 3.69Å; R50-E54 PolarHBondContact NE-OE1 3.12Å; R50-E54 IonicContact NH2-OE1 3.85Å; R50-E54 PolarHBondContact NH2-OE1 2.63Å; R50-E54 WeakPolarHBondContact O-CB 3.5Å; R50-E54 WeakPolarHBondContact O-CG 2.76Å; R50-E54 PolarHBondContact O-N 2.92Å; F51-E54 PolarHBondContact O-N 3.42Å |
| 55 | S | 55.3 | Low | 62.9 | Low | 40 Ų | 40 | 95.3 Ų | 95.3 | 28% | 0.28 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -74.7 | 137.1 | 177.7 | -176.7 | 0 | 0 | 0 | 0 | 109.3 | F51 A57 Y58 | F51-S55 WeakPolarHBondContact O-CA 3.33Å; F51-S55 WeakPolarHBondContact O-CB 3.49Å; F51-S55 PolarHBondContact O-N 3.43Å; S55-A57 PolarHBondContact O-N 3.48Å; S55-Y58 PolarHBondContact O-N 2.86Å |
| 56 | E | 58.5 | Low | 62.7 | Low | 153 Ų | 153 | 96.7 Ų | 96.7 | 72% | 0.715 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.3 | -2.1 | -161.3 | -58.1 | -179.5 | 151.4 | 0 | 0 | 115 | Y58 H59 A60 | E56-Y58 PolarHBondContact O-N 2.76Å; E56-H59 CarbonylContact O-C 3.53Å; E56-H59 PolarHBondContact O-N 3.49Å; E56-A60 WeakPolarHBondContact O-CA 3.27Å; E56-A60 WeakPolarHBondContact O-CB 3.14Å; E56-A60 PolarHBondContact O-N 2.78Å |
| 57 | A | 56.8 | Low | 62.6 | Low | 66 Ų | 66 | 98.9 Ų | 98.9 | 55% | 0.545 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64 | -38.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S55 T61 | S55-A57 PolarHBondContact O-N 3.48Å; A57-T61 PolarHBondContact O-N 2.88Å; A57-T61 PolarHBondContact O-OG1 3.33Å |
| 58 | Y | 50.5 | Low | 62 | Low | 139 Ų | 139 | 97.5 Ų | 97.5 | 55% | 0.545 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -74 | -38 | 172.3 | -90.2 | -96.3 | 0 | 0 | 0 | 111.5 | V52 S55 E56 N62 | V52-Y58 HydrophobicContact CG1-CD2 3.62Å; V52-Y58 HydrophobicContact CG1-CE2 3.23Å; V52-Y58 WeakPolarHBondContact O-CD2 3.15Å; S55-Y58 PolarHBondContact O-N 2.86Å; E56-Y58 PolarHBondContact O-N 2.76Å; Y58-N62 WeakPolarHBondContact O-CB 3.45Å; Y58-N62 PolarHBondContact O-N 2.8Å; Y58-N62 PolarHBondContact O-ND2 2.67Å |
| 59 | H | 59.3 | Low | 61.8 | Low | 112 Ų | 112 | 99.4 Ų | 99.4 | 52% | 0.519 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.3 | -36.8 | 176 | -75.6 | -67.8 | 0 | 0 | 0 | 112.9 | E56 N62 D63 | E56-H59 CarbonylContact O-C 3.53Å; E56-H59 PolarHBondContact O-N 3.49Å; H59-N62 CarbonylContact O-C 3.57Å; H59-N62 PolarHBondContact O-N 3.01Å; H59-D63 WeakPolarHBondContact O-CA 3.18Å; H59-D63 WeakPolarHBondContact O-CB 3.3Å; H59-D63 PolarHBondContact O-N 2.71Å |
| 60 | A | 57.6 | Low | 61.6 | Low | 59 Ų | 59 | 98.6 Ų | 98.6 | 49% | 0.488 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.2 | -35.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | E56 L64 | E56-A60 WeakPolarHBondContact O-CA 3.27Å; E56-A60 WeakPolarHBondContact O-CB 3.14Å; E56-A60 PolarHBondContact O-N 2.78Å; A60-L64 WeakPolarHBondContact O-CB 3.49Å; A60-L64 PolarHBondContact O-N 2.86Å |
| 61 | T | 57.1 | Low | 61.6 | Low | 82 Ų | 82 | 95.5 Ų | 95.5 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71.5 | -43.3 | 173 | -52.7 | 0 | 0 | 0 | 0 | 110.9 | A57 D63 L64 I65 | A57-T61 PolarHBondContact O-N 2.88Å; A57-T61 PolarHBondContact O-OG1 3.33Å; T61-D63 PolarHBondContact O-N 3.39Å; T61-L64 PolarHBondContact O-N 3.22Å; T61-I65 HydrophobicContact CG2-CD1 3.87Å; T61-I65 HydrophobicContact CG2-CG1 4.48Å; T61-I65 WeakPolarHBondContact O-CB 3.07Å; T61-I65 WeakPolarHBondContact O-CG1 3.26Å; T61-I65 PolarHBondContact O-N 2.71Å |
| 62 | N | 59.8 | Low | 61.7 | Low | 77 Ų | 77 | 94.9 Ų | 94.9 | 41% | 0.412 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.3 | -34.2 | 176.3 | -77.7 | -21.2 | 0 | 0 | 0 | 112.7 | Y58 H59 Q66 | Y58-N62 WeakPolarHBondContact O-CB 3.45Å; Y58-N62 PolarHBondContact O-N 2.8Å; Y58-N62 PolarHBondContact O-ND2 2.67Å; H59-N62 CarbonylContact O-C 3.57Å; H59-N62 PolarHBondContact O-N 3.01Å; N62-Q66 WeakPolarHBondContact O-CB 3.25Å; N62-Q66 WeakPolarHBondContact O-CG 3.13Å; N62-Q66 PolarHBondContact O-N 3.46Å; N62-Q66 PolarHBondContact O-NE2 2.82Å |
| 63 | D | 63.9 | Low | 62 | Low | 83 Ų | 83 | 95 Ų | 95 | 44% | 0.444 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -75.7 | -37.1 | 178.1 | -163.9 | 57.4 | 0 | 0 | 0 | 110.5 | H59 T61 Q66 Q67 | H59-D63 WeakPolarHBondContact O-CA 3.18Å; H59-D63 WeakPolarHBondContact O-CB 3.3Å; H59-D63 PolarHBondContact O-N 2.71Å; T61-D63 PolarHBondContact O-N 3.39Å; D63-Q66 PolarHBondContact O-N 2.76Å; D63-Q67 VanDerWaalsContact O-CB 3.22Å; D63-Q67 WeakPolarHBondContact O-CB 3.18Å; D63-Q67 WeakPolarHBondContact O-CG 3.28Å; D63-Q67 PolarHBondContact O-N 3.2Å; D63-Q67 PolarHBondContact OD2-NE2 3.48Å |
| 64 | L | 67.3 | Low | 62.4 | Low | 120 Ų | 120 | 91 Ų | 91 | 63% | 0.628 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.3 | -41.2 | 172.2 | -175.4 | 64.7 | 0 | 0 | 0 | 111.9 | A60 T61 A68 | A60-L64 WeakPolarHBondContact O-CB 3.49Å; A60-L64 PolarHBondContact O-N 2.86Å; T61-L64 PolarHBondContact O-N 3.22Å; L64-A68 WeakPolarHBondContact O-CB 2.95Å; L64-A68 PolarHBondContact O-N 3.47Å |
| 65 | I | 68.9 | Low | 62.8 | Low | 95 Ų | 95 | 90.1 Ų | 90.1 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.9 | -41.1 | 175.4 | -69.4 | 171.9 | 0 | 0 | 0 | 110.6 | T61 A68 T69 | T61-I65 HydrophobicContact CG2-CD1 3.87Å; T61-I65 HydrophobicContact CG2-CG1 4.48Å; T61-I65 WeakPolarHBondContact O-CB 3.07Å; T61-I65 WeakPolarHBondContact O-CG1 3.26Å; T61-I65 PolarHBondContact O-N 2.71Å; I65-A68 PolarHBondContact O-N 2.74Å; I65-T69 VanDerWaalsContact O-CB 3.22Å; I65-T69 WeakPolarHBondContact O-CB 3.12Å; I65-T69 PolarHBondContact O-N 3.45Å; I65-T69 PolarHBondContact O-OG1 2.85Å |
| 66 | Q | 67.5 | Low | 63 | Low | 109 Ų | 109 | 90.1 Ų | 90.1 | 51% | 0.509 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.9 | -45.7 | 175.3 | -79.6 | 172.1 | 89.1 | 0 | 0 | 111.2 | N62 D63 A68 T69 D70 | N62-Q66 WeakPolarHBondContact O-CB 3.25Å; N62-Q66 WeakPolarHBondContact O-CG 3.13Å; N62-Q66 PolarHBondContact O-N 3.46Å; N62-Q66 PolarHBondContact O-NE2 2.82Å; D63-Q66 PolarHBondContact O-N 2.76Å; Q66-A68 VanDerWaalsContact C-N 3.32Å; Q66-A68 PolarHBondContact O-N 3.45Å; Q66-T69 CarbonylContact O-C 3.59Å; Q66-T69 PolarHBondContact O-N 2.7Å; Q66-T69 VanDerWaalsContact O-N 3.13Å; Q66-D70 VanDerWaalsContact O-CB 3.25Å; Q66-D70 WeakPolarHBondContact O-CB 3.41Å; Q66-D70 VanDerWaalsContact O-CG 3.3Å; Q66-D70 PolarHBondContact O-N 3.01Å |
| 67 | Q | 67.4 | Low | 63.1 | Low | 115 Ų | 115 | 85.5 Ų | 85.5 | 54% | 0.537 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.5 | -40.6 | 173.5 | -82.1 | -176.4 | 28.6 | 0 | 0 | 112.1 | D63 A71 | D63-Q67 VanDerWaalsContact O-CB 3.22Å; D63-Q67 WeakPolarHBondContact O-CB 3.18Å; D63-Q67 WeakPolarHBondContact O-CG 3.28Å; D63-Q67 PolarHBondContact O-N 3.2Å; D63-Q67 PolarHBondContact OD2-NE2 3.48Å; Q67-A71 WeakPolarHBondContact O-CB 3.03Å; Q67-A71 PolarHBondContact O-N 3.36Å |
| 68 | A | 61.8 | Low | 63.3 | Low | 60 Ų | 60 | 88.8 Ų | 88.8 | 50% | 0.496 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.2 | -41 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L64 I65 Q66 L72 | L64-A68 WeakPolarHBondContact O-CB 2.95Å; L64-A68 PolarHBondContact O-N 3.47Å; I65-A68 PolarHBondContact O-N 2.74Å; Q66-A68 VanDerWaalsContact C-N 3.32Å; Q66-A68 PolarHBondContact O-N 3.45Å; A68-L72 WeakPolarHBondContact O-CB 3.14Å; A68-L72 PolarHBondContact O-N 3Å |
| 69 | T | 65.5 | Low | 64 | Low | 73 Ų | 73 | 86.5 Ų | 86.5 | 45% | 0.448 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.5 | -40.8 | 177.4 | -59.5 | 0 | 0 | 0 | 0 | 111.4 | I65 Q66 L72 T73 | I65-T69 VanDerWaalsContact O-CB 3.22Å; I65-T69 WeakPolarHBondContact O-CB 3.12Å; I65-T69 PolarHBondContact O-N 3.45Å; I65-T69 PolarHBondContact O-OG1 2.85Å; Q66-T69 CarbonylContact O-C 3.59Å; Q66-T69 PolarHBondContact O-N 2.7Å; Q66-T69 VanDerWaalsContact O-N 3.13Å; T69-L72 PolarHBondContact O-N 2.79Å; T69-T73 WeakPolarHBondContact O-CB 2.93Å; T69-T73 PolarHBondContact O-N 3.48Å; T69-T73 PolarHBondContact O-OG1 3.29Å |
| 70 | D | 67.5 | Low | 64.4 | Low | 96 Ų | 96 | 84.6 Ų | 84.6 | 51% | 0.513 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -73.1 | -37.6 | 178.9 | -76.3 | -15.9 | 0 | 0 | 0 | 111 | Q66 T73 T74 | Q66-D70 VanDerWaalsContact O-CB 3.25Å; Q66-D70 WeakPolarHBondContact O-CB 3.41Å; Q66-D70 VanDerWaalsContact O-CG 3.3Å; Q66-D70 PolarHBondContact O-N 3.01Å; D70-T73 PolarHBondContact O-N 2.98Å; D70-T74 WeakPolarHBondContact O-CA 3.18Å; D70-T74 WeakPolarHBondContact O-CB 3.32Å; D70-T74 PolarHBondContact O-N 3.5Å; D70-T74 PolarHBondContact O-OG1 3.25Å |
| 71 | A | 66.9 | Low | 65 | Low | 55 Ų | 55 | 86.8 Ų | 86.8 | 46% | 0.455 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.9 | -44.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q67 T74 V75 | Q67-A71 WeakPolarHBondContact O-CB 3.03Å; Q67-A71 PolarHBondContact O-N 3.36Å; A71-T74 PolarHBondContact O-N 3.47Å; A71-V75 WeakPolarHBondContact O-CB 3.28Å; A71-V75 VanDerWaalsContact O-CG2 3.24Å; A71-V75 WeakPolarHBondContact O-CG2 3.47Å; A71-V75 PolarHBondContact O-N 2.97Å |
| 72 | L | 69.1 | Low | 65.7 | Low | 129 Ų | 129 | 89.7 Ų | 89.7 | 68% | 0.675 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.5 | -41.4 | 176.4 | -175.7 | 62.2 | 0 | 0 | 0 | 111.7 | A68 T69 G76 | A68-L72 WeakPolarHBondContact O-CB 3.14Å; A68-L72 PolarHBondContact O-N 3Å; T69-L72 PolarHBondContact O-N 2.79Å; L72-G76 WeakPolarHBondContact O-CA 3.5Å; L72-G76 PolarHBondContact O-N 3.39Å |
| 73 | T | 64.7 | Low | 66.5 | Low | 74 Ų | 74 | 91.1 Ų | 91.1 | 45% | 0.454 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -71 | -35.9 | 177.5 | -57.6 | 0 | 0 | 0 | 0 | 111 | T69 D70 S77 | T69-T73 WeakPolarHBondContact O-CB 2.93Å; T69-T73 PolarHBondContact O-N 3.48Å; T69-T73 PolarHBondContact O-OG1 3.29Å; D70-T73 PolarHBondContact O-N 2.98Å; T73-S77 WeakPolarHBondContact O-CA 3.44Å; T73-S77 WeakPolarHBondContact O-CB 3.31Å; T73-S77 PolarHBondContact O-N 3.05Å; T73-S77 PolarHBondContact O-OG 3.02Å |
| 74 | T | 66.4 | Low | 67 | Low | 67 Ų | 67 | 88.5 Ų | 88.5 | 41% | 0.411 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -71.4 | -41 | 176.6 | -64.1 | 0 | 0 | 0 | 0 | 111 | D70 A71 K78 | D70-T74 WeakPolarHBondContact O-CA 3.18Å; D70-T74 WeakPolarHBondContact O-CB 3.32Å; D70-T74 PolarHBondContact O-N 3.5Å; D70-T74 PolarHBondContact O-OG1 3.25Å; A71-T74 PolarHBondContact O-N 3.47Å; T74-K78 HydrophobicContact CG2-CD 4.25Å; T74-K78 VanDerWaalsContact O-CB 3.3Å; T74-K78 WeakPolarHBondContact O-CB 3.48Å; T74-K78 VanDerWaalsContact O-CG 3.27Å; T74-K78 WeakPolarHBondContact O-CG 3.44Å; T74-K78 PolarHBondContact O-N 3.19Å |
| 75 | V | 68.1 | Low | 67.1 | Low | 88 Ų | 88 | 88.6 Ų | 88.6 | 53% | 0.533 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.1 | -43.7 | 173.1 | 174 | 0 | 0 | 0 | 0 | 109.9 | A71 S77 K78 V79 | A71-V75 WeakPolarHBondContact O-CB 3.28Å; A71-V75 VanDerWaalsContact O-CG2 3.24Å; A71-V75 WeakPolarHBondContact O-CG2 3.47Å; A71-V75 PolarHBondContact O-N 2.97Å; V75-S77 VanDerWaalsContact C-N 3.33Å; V75-S77 PolarHBondContact O-N 2.7Å; V75-K78 PolarHBondContact O-N 3.34Å; V75-V79 HydrophobicContact CG1-CG2 4.4Å; V75-V79 WeakPolarHBondContact O-CB 3.36Å; V75-V79 VanDerWaalsContact O-CG2 3.26Å; V75-V79 WeakPolarHBondContact O-CG2 3.21Å; V75-V79 PolarHBondContact O-N 3.11Å |
| 76 | G | 59.5 | Low | 67.4 | Low | 41 Ų | 41 | 88.8 Ų | 88.8 | 42% | 0.423 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.1 | -41.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L72 S80 | L72-G76 WeakPolarHBondContact O-CA 3.5Å; L72-G76 PolarHBondContact O-N 3.39Å; G76-S80 WeakPolarHBondContact O-CB 3.39Å; G76-S80 PolarHBondContact O-N 2.91Å |
| 77 | S | 60.6 | Low | 67.7 | Low | 55 Ų | 55 | 89.5 Ų | 89.5 | 39% | 0.385 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -74.6 | -38.4 | 177.6 | -60.3 | 0 | 0 | 0 | 0 | 112.1 | T73 V75 S80 N81 | T73-S77 WeakPolarHBondContact O-CA 3.44Å; T73-S77 WeakPolarHBondContact O-CB 3.31Å; T73-S77 PolarHBondContact O-N 3.05Å; T73-S77 PolarHBondContact O-OG 3.02Å; V75-S77 VanDerWaalsContact C-N 3.33Å; V75-S77 PolarHBondContact O-N 2.7Å; S77-S80 PolarHBondContact O-N 3.38Å; S77-N81 VanDerWaalsContact O-CB 3.26Å; S77-N81 WeakPolarHBondContact O-CB 3.41Å; S77-N81 PolarHBondContact O-N 3Å; S77-N81 PolarHBondContact O-ND2 3.36Å |
| 78 | K | 59.5 | Low | 68 | Low | 135 Ų | 135 | 88.4 Ų | 88.4 | 59% | 0.587 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.3 | -41.9 | 173.2 | -78.5 | 177.8 | -174.9 | 178.5 | 0 | 110.9 | T74 V75 K82 | T74-K78 HydrophobicContact CG2-CD 4.25Å; T74-K78 VanDerWaalsContact O-CB 3.3Å; T74-K78 WeakPolarHBondContact O-CB 3.48Å; T74-K78 VanDerWaalsContact O-CG 3.27Å; T74-K78 WeakPolarHBondContact O-CG 3.44Å; T74-K78 PolarHBondContact O-N 3.19Å; V75-K78 PolarHBondContact O-N 3.34Å; K78-K82 VanDerWaalsContact O-CB 3.28Å; K78-K82 WeakPolarHBondContact O-CB 3.43Å; K78-K82 WeakPolarHBondContact O-CG 3.48Å; K78-K82 PolarHBondContact O-N 2.99Å |
| 79 | V | 65.6 | Low | 69 | Low | 91 Ų | 91 | 87.7 Ų | 87.7 | 55% | 0.552 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -68 | -41.9 | 175 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | V75 N81 K82 F83 | V75-V79 HydrophobicContact CG1-CG2 4.4Å; V75-V79 WeakPolarHBondContact O-CB 3.36Å; V75-V79 VanDerWaalsContact O-CG2 3.26Å; V75-V79 WeakPolarHBondContact O-CG2 3.21Å; V75-V79 PolarHBondContact O-N 3.11Å; V79-N81 PolarHBondContact O-N 3.12Å; V79-K82 PolarHBondContact O-N 3.45Å; V79-F83 WeakPolarHBondContact O-CB 3.47Å; V79-F83 PolarHBondContact O-N 2.91Å |
| 80 | S | 68 | Low | 69.6 | Low | 73 Ų | 73 | 89.1 Ų | 89.1 | 51% | 0.51 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.6 | -45 | 175.3 | -174.8 | 0 | 0 | 0 | 0 | 111.9 | G76 S77 F83 G84 | G76-S80 WeakPolarHBondContact O-CB 3.39Å; G76-S80 PolarHBondContact O-N 2.91Å; S77-S80 PolarHBondContact O-N 3.38Å; S80-F83 PolarHBondContact O-N 3.25Å; S80-G84 PolarHBondContact O-N 3.46Å |
| 81 | N | 70.6 | Confident | 70.1 | Confident | 104 Ų | 104 | 88 Ų | 88 | 56% | 0.556 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.8 | -41.5 | 176.7 | -69.8 | -10.5 | 0 | 0 | 0 | 111.5 | S77 V79 F83 G84 Q85 | S77-N81 VanDerWaalsContact O-CB 3.26Å; S77-N81 WeakPolarHBondContact O-CB 3.41Å; S77-N81 PolarHBondContact O-N 3Å; S77-N81 PolarHBondContact O-ND2 3.36Å; V79-N81 PolarHBondContact O-N 3.12Å; N81-F83 VanDerWaalsContact C-N 3.32Å; N81-F83 PolarHBondContact O-N 2.87Å; N81-G84 PolarHBondContact O-N 3.38Å; N81-Q85 WeakPolarHBondContact O-CB 3.49Å; N81-Q85 WeakPolarHBondContact O-CG 3.42Å; N81-Q85 PolarHBondContact O-N 2.79Å |
| 82 | K | 71.1 | Confident | 70.9 | Confident | 143 Ų | 143 | 89.1 Ų | 89.1 | 62% | 0.622 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.8 | -40.1 | 173.3 | -68.9 | -99 | -168.2 | -170.2 | 0 | 110.9 | K78 V79 Q85 L86 | K78-K82 VanDerWaalsContact O-CB 3.28Å; K78-K82 WeakPolarHBondContact O-CB 3.43Å; K78-K82 WeakPolarHBondContact O-CG 3.48Å; K78-K82 PolarHBondContact O-N 2.99Å; V79-K82 PolarHBondContact O-N 3.45Å; K82-Q85 CarbonylContact O-C 3.52Å; K82-Q85 WeakPolarHBondContact O-CB 3.42Å; K82-Q85 PolarHBondContact O-N 3.23Å; K82-L86 WeakPolarHBondContact O-CB 3.28Å; K82-L86 VanDerWaalsContact O-CG 3.24Å; K82-L86 WeakPolarHBondContact O-CG 3.21Å; K82-L86 PolarHBondContact O-N 2.88Å |
| 83 | F | 77.7 | Confident | 71.4 | Confident | 107 Ų | 107 | 88.3 Ų | 88.3 | 47% | 0.469 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70.9 | -39 | 179.4 | -173.9 | -116.2 | 0 | 0 | 0 | 112.1 | V79 S80 N81 L86 R87 | V79-F83 WeakPolarHBondContact O-CB 3.47Å; V79-F83 PolarHBondContact O-N 2.91Å; S80-F83 PolarHBondContact O-N 3.25Å; N81-F83 VanDerWaalsContact C-N 3.32Å; N81-F83 PolarHBondContact O-N 2.87Å; F83-L86 WeakPolarHBondContact O-CB 3.48Å; F83-L86 PolarHBondContact O-N 3.09Å; F83-R87 VanDerWaalsContact CD1-NH1 3.33Å; F83-R87 VanDerWaalsContact CE1-NH1 3.29Å; F83-R87 PolarHBondContact O-N 3.19Å |
| 84 | G | 72.9 | Confident | 72.4 | Confident | 29 Ų | 29 | 88.2 Ų | 88.2 | 30% | 0.299 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S80 N81 L86 R87 T88 | S80-G84 PolarHBondContact O-N 3.46Å; N81-G84 PolarHBondContact O-N 3.38Å; G84-L86 VanDerWaalsContact C-N 3.32Å; G84-L86 PolarHBondContact O-N 3.28Å; G84-R87 WeakPolarHBondContact O-CB 3.47Å; G84-R87 PolarHBondContact O-N 2.95Å; G84-T88 PolarHBondContact O-N 3.28Å |
| 85 | Q | 70 | Confident | 73.1 | Confident | 121 Ų | 121 | 91.5 Ų | 91.5 | 57% | 0.565 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.1 | -37.6 | 172.9 | -74.1 | 171.1 | 25.6 | 0 | 0 | 111.7 | N81 K82 R87 T88 T89 | N81-Q85 WeakPolarHBondContact O-CB 3.49Å; N81-Q85 WeakPolarHBondContact O-CG 3.42Å; N81-Q85 PolarHBondContact O-N 2.79Å; K82-Q85 CarbonylContact O-C 3.52Å; K82-Q85 WeakPolarHBondContact O-CB 3.42Å; K82-Q85 PolarHBondContact O-N 3.23Å; Q85-R87 VanDerWaalsContact C-N 3.3Å; Q85-R87 PolarHBondContact O-N 3.48Å; Q85-T88 CarbonylContact O-C 3.56Å; Q85-T88 PolarHBondContact O-N 2.85Å; Q85-T88 PolarHBondContact O-OG1 3.15Å; Q85-T89 WeakPolarHBondContact O-CG2 3.34Å; Q85-T89 PolarHBondContact O-N 2.98Å |
| 86 | L | 74.6 | Confident | 73.7 | Confident | 100 Ų | 100 | 92.9 Ų | 92.9 | 52% | 0.524 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.4 | -39.1 | 174.7 | -75.7 | 171.5 | 0 | 0 | 0 | 111.4 | K82 F83 G84 T88 T89 F92 | K82-L86 WeakPolarHBondContact O-CB 3.28Å; K82-L86 VanDerWaalsContact O-CG 3.24Å; K82-L86 WeakPolarHBondContact O-CG 3.21Å; K82-L86 PolarHBondContact O-N 2.88Å; F83-L86 WeakPolarHBondContact O-CB 3.48Å; F83-L86 PolarHBondContact O-N 3.09Å; G84-L86 VanDerWaalsContact C-N 3.32Å; G84-L86 PolarHBondContact O-N 3.28Å; L86-T88 VanDerWaalsContact C-N 3.25Å; L86-T88 PolarHBondContact O-N 3.48Å; L86-T89 HydrophobicContact CD2-CG2 4.34Å; L86-T89 WeakPolarHBondContact O-CB 3.18Å; L86-T89 PolarHBondContact O-N 3.38Å; L86-T89 VanDerWaalsContact O-N 3.15Å; L86-T89 PolarHBondContact O-OG1 2.81Å; L86-F92 WeakPolarHBondContact O-CB 3.34Å |
| 87 | R | 73.6 | Confident | 74.6 | Confident | 123 Ų | 123 | 97.1 Ų | 97.1 | 46% | 0.464 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.1 | -28.5 | 172.8 | -68.1 | -171.6 | 178.8 | 115.3 | -13.7 | 113.7 | F83 G84 Q85 F92 | F83-R87 VanDerWaalsContact CD1-NH1 3.33Å; F83-R87 VanDerWaalsContact CE1-NH1 3.29Å; F83-R87 PolarHBondContact O-N 3.19Å; G84-R87 WeakPolarHBondContact O-CB 3.47Å; G84-R87 PolarHBondContact O-N 2.95Å; Q85-R87 VanDerWaalsContact C-N 3.3Å; Q85-R87 PolarHBondContact O-N 3.48Å; R87-F92 HydrophobicContact CB-CD1 4Å; R87-F92 HydrophobicContact CB-CE1 4.06Å; R87-F92 HydrophobicContact CB-CG 4.36Å; R87-F92 HydrophobicContact CB-CZ 4.49Å; R87-F92 HydrophobicContact CG-CD1 4.31Å; R87-F92 HydrophobicContact CG-CD2 4.43Å; R87-F92 HydrophobicContact CG-CE1 4.02Å; R87-F92 HydrophobicContact CG-CE2 4.17Å; R87-F92 HydrophobicContact CG-CZ 3.95Å; R87-F92 WeakPolarHBondContact O-CD1 3.31Å |
| 88 | T | 74.8 | Confident | 75.5 | Confident | 92 Ų | 92 | 102.9 Ų | 102.9 | 56% | 0.564 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -88.2 | -6.9 | 176.3 | 64.2 | 0 | 0 | 0 | 0 | 113.3 | G84 Q85 L86 | G84-T88 PolarHBondContact O-N 3.28Å; Q85-T88 CarbonylContact O-C 3.56Å; Q85-T88 PolarHBondContact O-N 2.85Å; Q85-T88 PolarHBondContact O-OG1 3.15Å; L86-T88 VanDerWaalsContact C-N 3.25Å; L86-T88 PolarHBondContact O-N 3.48Å |
| 89 | T | 82.6 | Confident | 76.6 | Confident | 45 Ų | 45 | 100.5 Ų | 100.5 | 28% | 0.276 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -64.8 | 149.3 | 177.5 | 63 | 0 | 0 | 0 | 0 | 111.5 | Q85 L86 A91 F92 K93 | Q85-T89 WeakPolarHBondContact O-CG2 3.34Å; Q85-T89 PolarHBondContact O-N 2.98Å; L86-T89 HydrophobicContact CD2-CG2 4.34Å; L86-T89 WeakPolarHBondContact O-CB 3.18Å; L86-T89 PolarHBondContact O-N 3.38Å; L86-T89 VanDerWaalsContact O-N 3.15Å; L86-T89 PolarHBondContact O-OG1 2.81Å; T89-A91 PolarHBondContact O-N 3.4Å; T89-A91 VanDerWaalsContact O-N 3.12Å; T89-F92 PolarHBondContact O-N 3.38Å; T89-F92 VanDerWaalsContact O-N 3.08Å; T89-F92 PolarHBondContact OG1-N 3.14Å; T89-K93 PolarHBondContact O-N 2.81Å |
| 90 | P | 78.4 | Confident | 76.8 | Confident | 103 Ų | 103 | 97.8 Ų | 97.8 | 67% | 0.669 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -51.7 | -34.8 | 173.5 | -26.4 | 34.1 | 0 | 0 | 0 | 113 | K93 S94 | P90-K93 PolarHBondContact O-N 3.49Å; P90-S94 PolarHBondContact O-N 3.34Å; P90-S94 PolarHBondContact O-OG 3.4Å; P90-S94 VanDerWaalsContact O-OG 3.12Å |
| 91 | A | 78.6 | Confident | 77 | Confident | 74 Ų | 74 | 98.1 Ų | 98.1 | 61% | 0.612 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.3 | -43.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | T89 F95 | T89-A91 PolarHBondContact O-N 3.4Å; T89-A91 VanDerWaalsContact O-N 3.12Å; A91-F95 PolarHBondContact O-N 2.79Å; A91-F95 VanDerWaalsContact O-N 3.14Å |
| 92 | F | 81.9 | Confident | 76.7 | Confident | 78 Ų | 78 | 96.3 Ų | 96.3 | 34% | 0.342 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -72.6 | -37.3 | 176.9 | -169.6 | -89.6 | 0 | 0 | 0 | 111.7 | L86 R87 T89 F95 E96 | L86-F92 WeakPolarHBondContact O-CB 3.34Å; R87-F92 HydrophobicContact CB-CD1 4Å; R87-F92 HydrophobicContact CB-CE1 4.06Å; R87-F92 HydrophobicContact CB-CG 4.36Å; R87-F92 HydrophobicContact CB-CZ 4.49Å; R87-F92 HydrophobicContact CG-CD1 4.31Å; R87-F92 HydrophobicContact CG-CD2 4.43Å; R87-F92 HydrophobicContact CG-CE1 4.02Å; R87-F92 HydrophobicContact CG-CE2 4.17Å; R87-F92 HydrophobicContact CG-CZ 3.95Å; R87-F92 WeakPolarHBondContact O-CD1 3.31Å; T89-F92 PolarHBondContact O-N 3.38Å; T89-F92 VanDerWaalsContact O-N 3.08Å; T89-F92 PolarHBondContact OG1-N 3.14Å; F92-F95 WeakPolarHBondContact O-CB 3.5Å; F92-F95 PolarHBondContact O-N 2.9Å; F92-E96 WeakPolarHBondContact O-CB 3.48Å; F92-E96 PolarHBondContact O-N 3.43Å |
| 93 | K | 80.3 | Confident | 76.5 | Confident | 111 Ų | 111 | 96.8 Ų | 96.8 | 48% | 0.483 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 173 | -73.4 | -175.6 | 178.3 | 177.5 | 0 | 112.5 | T89 P90 F95 E96 E97 | T89-K93 PolarHBondContact O-N 2.81Å; P90-K93 PolarHBondContact O-N 3.49Å; K93-F95 VanDerWaalsContact C-N 3.28Å; K93-F95 PolarHBondContact O-N 3.4Å; K93-E96 PolarHBondContact O-N 3.48Å; K93-E97 WeakPolarHBondContact O-CB 3.2Å; K93-E97 VanDerWaalsContact O-CG 3.28Å; K93-E97 WeakPolarHBondContact O-CG 3.19Å; K93-E97 PolarHBondContact O-N 2.98Å |
| 94 | S | 85.1 | Confident | 75.9 | Confident | 73 Ų | 73 | 94.7 Ų | 94.7 | 51% | 0.51 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.5 | -31.9 | 174.6 | -62.1 | 0 | 0 | 0 | 0 | 112.6 | P90 K98 | P90-S94 PolarHBondContact O-N 3.34Å; P90-S94 PolarHBondContact O-OG 3.4Å; P90-S94 VanDerWaalsContact O-OG 3.12Å; S94-K98 WeakPolarHBondContact O-CB 3.39Å; S94-K98 PolarHBondContact O-N 2.92Å |
| 95 | F | 82.2 | Confident | 75.2 | Confident | 136 Ų | 136 | 97.3 Ų | 97.3 | 60% | 0.596 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.3 | -45.3 | 172 | 179.5 | -98.4 | 0 | 0 | 0 | 111.5 | A91 F92 K93 K98 V99 | A91-F95 PolarHBondContact O-N 2.79Å; A91-F95 VanDerWaalsContact O-N 3.14Å; F92-F95 WeakPolarHBondContact O-CB 3.5Å; F92-F95 PolarHBondContact O-N 2.9Å; K93-F95 VanDerWaalsContact C-N 3.28Å; K93-F95 PolarHBondContact O-N 3.4Å; F95-K98 PolarHBondContact O-N 3.29Å; F95-V99 HydrophobicContact CE1-CG2 4.37Å; F95-V99 HydrophobicContact CZ-CG2 4.39Å; F95-V99 WeakPolarHBondContact O-CG2 3.37Å; F95-V99 PolarHBondContact O-N 3.42Å |
| 96 | E | 80.5 | Confident | 75.1 | Confident | 116 Ų | 116 | 96.3 Ų | 96.3 | 54% | 0.542 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63 | -43.6 | 176.9 | -175.6 | -179.5 | 173.5 | 0 | 0 | 111.8 | F92 K93 K98 V99 G100 | F92-E96 WeakPolarHBondContact O-CB 3.48Å; F92-E96 PolarHBondContact O-N 3.43Å; K93-E96 PolarHBondContact O-N 3.48Å; E96-K98 VanDerWaalsContact C-N 3.33Å; E96-K98 PolarHBondContact O-N 2.92Å; E96-V99 CarbonylContact O-C 3.55Å; E96-V99 PolarHBondContact O-N 2.84Å; E96-G100 WeakPolarHBondContact O-CA 3.28Å; E96-G100 PolarHBondContact O-N 3.31Å |
| 97 | E | 78.9 | Confident | 74.5 | Confident | 131 Ų | 131 | 97.6 Ų | 97.6 | 61% | 0.612 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.5 | -41.2 | 177 | -77.2 | 170.8 | -175.1 | 0 | 0 | 111.7 | K93 V99 G100 S101 | K93-E97 WeakPolarHBondContact O-CB 3.2Å; K93-E97 VanDerWaalsContact O-CG 3.28Å; K93-E97 WeakPolarHBondContact O-CG 3.19Å; K93-E97 PolarHBondContact O-N 2.98Å; E97-V99 VanDerWaalsContact C-N 3.27Å; E97-V99 PolarHBondContact O-N 3.06Å; E97-G100 PolarHBondContact O-N 2.91Å; E97-S101 VanDerWaalsContact O-CB 3.27Å; E97-S101 WeakPolarHBondContact O-CB 3.43Å; E97-S101 PolarHBondContact O-N 3.23Å |
| 98 | K | 77.7 | Confident | 74 | Confident | 175 Ų | 175 | 100.2 Ų | 100.2 | 76% | 0.761 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -66 | -31.6 | 177.9 | -162.1 | 168 | -174.6 | 178 | 0 | 112.2 | S94 F95 E96 | S94-K98 WeakPolarHBondContact O-CB 3.39Å; S94-K98 PolarHBondContact O-N 2.92Å; F95-K98 PolarHBondContact O-N 3.29Å; E96-K98 VanDerWaalsContact C-N 3.33Å; E96-K98 PolarHBondContact O-N 2.92Å |
| 99 | V | 83.4 | Confident | 72.6 | Confident | 86 Ų | 86 | 104.7 Ų | 104.7 | 52% | 0.521 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -83.1 | -36 | 175.3 | 175.2 | 0 | 0 | 0 | 0 | 111.6 | F95 E96 E97 A102 Y103 | F95-V99 HydrophobicContact CE1-CG2 4.37Å; F95-V99 HydrophobicContact CZ-CG2 4.39Å; F95-V99 WeakPolarHBondContact O-CG2 3.37Å; F95-V99 PolarHBondContact O-N 3.42Å; E96-V99 CarbonylContact O-C 3.55Å; E96-V99 PolarHBondContact O-N 2.84Å; E97-V99 VanDerWaalsContact C-N 3.27Å; E97-V99 PolarHBondContact O-N 3.06Å; V99-A102 WeakPolarHBondContact O-CB 3.41Å; V99-A102 PolarHBondContact O-N 3.42Å; V99-Y103 PolarHBondContact O-N 2.9Å |
| 100 | G | 70.8 | Confident | 71.4 | Confident | 33 Ų | 33 | 109.3 Ų | 109.3 | 34% | 0.34 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -70.9 | -38 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | E96 E97 A102 Y103 S104 | E96-G100 WeakPolarHBondContact O-CA 3.28Å; E96-G100 PolarHBondContact O-N 3.31Å; E97-G100 PolarHBondContact O-N 2.91Å; G100-A102 PolarHBondContact O-N 2.88Å; G100-Y103 PolarHBondContact O-N 2.91Å; G100-S104 PolarHBondContact O-N 3.22Å; G100-S104 PolarHBondContact O-OG 3.35Å |
| 101 | S | 71.5 | Confident | 69.6 | Low | 80 Ų | 80 | 107.6 Ų | 107.6 | 56% | 0.559 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -62.8 | -31.3 | 172.8 | -161.7 | 0 | 0 | 0 | 0 | 111.6 | E97 S104 S105 | E97-S101 VanDerWaalsContact O-CB 3.27Å; E97-S101 WeakPolarHBondContact O-CB 3.43Å; E97-S101 PolarHBondContact O-N 3.23Å; S101-S104 PolarHBondContact O-OG 2.93Å; S101-S105 PolarHBondContact O-OG 3.22Å |
| 102 | A | 64.4 | Low | 68.6 | Low | 66 Ų | 66 | 110.3 Ų | 110.3 | 55% | 0.545 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -72.8 | -30.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V99 G100 | V99-A102 WeakPolarHBondContact O-CB 3.41Å; V99-A102 PolarHBondContact O-N 3.42Å; G100-A102 PolarHBondContact O-N 2.88Å |
| 103 | Y | 66.2 | Low | 66.6 | Low | 154 Ų | 154 | 113.7 Ų | 113.7 | 60% | 0.604 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -83.1 | -39.1 | -178.9 | -174 | -98.9 | 0 | 0 | 0 | 113.8 | V99 G100 S105 V106 K107 | V99-Y103 PolarHBondContact O-N 2.9Å; G100-Y103 PolarHBondContact O-N 2.91Å; Y103-S105 VanDerWaalsContact C-N 3.33Å; Y103-S105 PolarHBondContact O-N 3.45Å; Y103-V106 WeakPolarHBondContact O-CB 3.45Å; Y103-V106 PolarHBondContact O-N 3.14Å; Y103-V106 VanDerWaalsContact O-N 3.08Å; Y103-K107 HydrophobicContact CE1-CD 4.07Å; Y103-K107 PolarHBondContact O-N 2.98Å |
| 104 | S | 65.5 | Low | 64.9 | Low | 62 Ų | 62 | 113.6 Ų | 113.6 | 43% | 0.434 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -66.4 | -35.9 | -178.6 | 57.3 | 0 | 0 | 0 | 0 | 112.6 | G100 S101 V106 K107 E108 | G100-S104 PolarHBondContact O-N 3.22Å; G100-S104 PolarHBondContact O-OG 3.35Å; S101-S104 PolarHBondContact O-OG 2.93Å; S104-V106 PolarHBondContact O-N 2.95Å; S104-K107 PolarHBondContact O-N 3.41Å; S104-K107 VanDerWaalsContact O-N 3.12Å; S104-E108 PolarHBondContact O-N 3.46Å |
| 105 | S | 58.6 | Low | 63 | Low | 85 Ų | 85 | 113.9 Ų | 113.9 | 59% | 0.594 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -51.6 | -24 | 171.5 | -57.9 | 0 | 0 | 0 | 0 | 112.8 | S101 Y103 | S101-S105 PolarHBondContact O-OG 3.22Å; Y103-S105 VanDerWaalsContact C-N 3.33Å; Y103-S105 PolarHBondContact O-N 3.45Å |
| 106 | V | 68.4 | Low | 61.1 | Low | 99 Ų | 99 | 113.4 Ų | 113.4 | 60% | 0.6 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -95.8 | -35.5 | -177.9 | -174.7 | 0 | 0 | 0 | 0 | 112.6 | Y103 S104 | Y103-V106 WeakPolarHBondContact O-CB 3.45Å; Y103-V106 PolarHBondContact O-N 3.14Å; Y103-V106 VanDerWaalsContact O-N 3.08Å; S104-V106 PolarHBondContact O-N 2.95Å |
| 107 | K | 61.9 | Low | 59.7 | Low | 128 Ų | 128 | 115 Ų | 115 | 56% | 0.557 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -89.5 | -27.7 | -170.2 | -170.5 | 175 | 178 | -178.7 | 0 | 115 | Y103 S104 K109 I110 | Y103-K107 HydrophobicContact CE1-CD 4.07Å; Y103-K107 PolarHBondContact O-N 2.98Å; S104-K107 PolarHBondContact O-N 3.41Å; S104-K107 VanDerWaalsContact O-N 3.12Å; K107-K109 PolarHBondContact O-N 3.07Å; K107-I110 PolarHBondContact O-N 2.58Å |
| 108 | E | 62 | Low | 58.4 | Low | 178 Ų | 178 | 118.5 Ų | 118.5 | 83% | 0.832 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | -20.6 | 179.2 | -173.6 | 167.9 | -174.4 | 0 | 0 | 112.8 | S104 I110 | S104-E108 PolarHBondContact O-N 3.46Å; E108-I110 PolarHBondContact O-N 3.46Å |
| 109 | K | 46.9 | Very low | 57.2 | Low | 186 Ų | 186 | 113.8 Ų | 113.8 | 81% | 0.809 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -5.4 | 172 | -72.3 | 175.6 | 177.2 | -78.2 | 0 | 114.6 | K107 | K107-K109 PolarHBondContact O-N 3.07Š|
| 110 | I | 56.3 | Low | 55.8 | Low | 142 Ų | 142 | 119.2 Ų | 119.2 | 73% | 0.728 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -124.5 | -14.2 | -165.4 | -70.4 | 172.7 | 0 | 0 | 0 | 116.8 | K107 E108 | K107-I110 PolarHBondContact O-N 2.58Å; E108-I110 PolarHBondContact O-N 3.46Å |
| 111 | G | 41.1 | Very low | 54.9 | Low | 67 Ų | 67 | 125 Ų | 125 | 69% | 0.691 | 75% | 0.751 | S | S | * | * | trans | -84 | 171.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 112 | S | 57.2 | Low | 53.5 | Low | 131 Ų | 131 | 125.2 Ų | 125.2 | 92% | 0.916 | 75% | 0.753 | S | S | * | * | trans | 85.9 | 74.9 | 164.6 | -63.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 113 | V | 40.5 | Very low | 53.1 | Low | 148 Ų | 148 | 129.3 Ų | 129.3 | 90% | 0.897 | 77% | 0.766 | S | S | * | * | trans | -164.2 | 132 | 155.7 | 67.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 114 | A | 43 | Very low | 52.1 | Low | 109 Ų | 109 | 130.7 Ų | 130.7 | 90% | 0.901 | 78% | 0.778 | S | S | * | * | trans | 96.8 | 114.9 | 159.9 | 0 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 115 | G | 45.9 | Very low | 51.3 | Low | 80 Ų | 80 | 132.3 Ų | 132.3 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | 140.1 | 119.1 | 145.5 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 116 | S | 43 | Very low | 50.5 | Low | 125 Ų | 125 | 136.1 Ų | 136.1 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | -158.9 | 122.3 | 165.9 | 34.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 117 | T | 50.1 | Low | 49.7 | Very low | 151 Ų | 151 | 136.8 Ų | 136.8 | 93% | 0.926 | 81% | 0.813 | S | S | * | * | trans | -163.8 | 143.3 | 172.7 | -45 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 118 | E | 53.1 | Low | 49.1 | Very low | 204 Ų | 204 | 135.7 Ų | 135.7 | 95% | 0.953 | 82% | 0.819 | S | S | * | * | trans | -115.9 | 163.9 | 178.1 | -89.2 | 167.6 | 125.7 | 0 | 0 | 114.5 | ||||
| 119 | G | 51.2 | Low | 48.9 | Very low | 75 Ų | 75 | 134.9 Ų | 134.9 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | trans | -122.7 | 167.7 | -155 | 0 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 120 | Q | 53.4 | Low | 49.2 | Very low | 201 Ų | 201 | 129.5 Ų | 129.5 | 94% | 0.939 | 81% | 0.81 | S | S | * | * | trans | 36.9 | 146.3 | 144.1 | -64.6 | 176.8 | -68.3 | 0 | 0 | 125.3 | ||||
| 121 | N | 52.3 | Low | 48.6 | Very low | 154 Ų | 154 | 131.6 Ų | 131.6 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | cis | -172.8 | 123.6 | -25.8 | -175 | 38.4 | 0 | 0 | 0 | 110.5 | ||||
| 122 | S | 42.6 | Very low | 49.2 | Very low | 85 Ų | 85 | 135.1 Ų | 135.1 | 59% | 0.594 | 83% | 0.825 | S | S | * | * | trans | -103.6 | 146.8 | 165.4 | 51.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 123 | N | 56.3 | Low | 48.5 | Very low | 151 Ų | 151 | 137.6 Ų | 137.6 | 81% | 0.807 | 82% | 0.82 | S | S | * | * | trans | 159.6 | 115.4 | 131.6 | -81.6 | -12 | 0 | 0 | 0 | 114 | A125 | N123-A125 PolarHBondContact O-N 2.69Š| ||
| 124 | Q | 44.2 | Very low | 48.5 | Very low | 183 Ų | 183 | 139.4 Ų | 139.4 | 86% | 0.855 | 82% | 0.818 | S | S | * | * | trans | -50.5 | 109.6 | 151.7 | -143.3 | 168.1 | 13.8 | 0 | 0 | 108.2 | Q126 | Q124-Q126 VanDerWaalsContact C-N 3.29Å; Q124-Q126 PolarHBondContact O-N 3.11Å | ||
| 125 | A | 50.2 | Low | 48.8 | Very low | 97 Ų | 97 | 144.1 Ų | 144.1 | 80% | 0.802 | 84% | 0.835 | S | S | * | * | trans | -78.7 | 81.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | N123 | N123-A125 PolarHBondContact O-N 2.69Š| ||
| 126 | Q | 41.7 | Very low | 48.9 | Very low | 164 Ų | 164 | 147.4 Ų | 147.4 | 77% | 0.766 | 84% | 0.836 | S | S | * | * | trans | -81.9 | 115 | 159.1 | -165.2 | 152.3 | -31.5 | 0 | 0 | 106.8 | Q124 | Q124-Q126 VanDerWaalsContact C-N 3.29Å; Q124-Q126 PolarHBondContact O-N 3.11Å | ||
| 127 | S | 51.7 | Low | 49.2 | Very low | 114 Ų | 114 | 148.5 Ų | 148.5 | 80% | 0.797 | 83% | 0.834 | S | S | * | * | trans | -128.6 | 91.3 | 169.5 | -63.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 128 | P | 48.3 | Very low | 49.2 | Very low | 105 Ų | 105 | 148.4 Ų | 148.4 | 68% | 0.682 | 83% | 0.829 | S | S | * | * | trans | -80.4 | 133.4 | 152.7 | 32.2 | -23.9 | 0 | 0 | 0 | 107.7 | ||||
| 129 | N | 56.8 | Low | 49 | Very low | 160 Ų | 160 | 145.1 Ų | 145.1 | 86% | 0.856 | 82% | 0.821 | S | S | * | * | trans | -146.8 | 116.8 | 153 | -144.3 | 5.2 | 0 | 0 | 0 | 112.2 | ||||
| 130 | A | 53.2 | Low | 48.8 | Very low | 73 Ų | 73 | 149.5 Ų | 149.5 | 60% | 0.603 | 82% | 0.824 | S | S | * | * | trans | 56.8 | 105.8 | 144.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 131 | E | 45 | Very low | 48.5 | Very low | 186 Ų | 186 | 146.1 Ų | 146.1 | 87% | 0.869 | 82% | 0.817 | S | S | * | * | -1.4 | 123.3 | 128.2 | -71.8 | 166.9 | 78.9 | 0 | 0 | 115.9 | |||||
| 132 | T | 54.3 | Low | 48.3 | Very low | 142 Ų | 142 | 145.5 Ų | 145.5 | 87% | 0.871 | 82% | 0.816 | S | S | * | * | trans | -143.2 | 110.8 | 142.9 | -57.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 133 | K | 40.8 | Very low | 48.7 | Very low | 183 Ų | 183 | 150.2 Ų | 150.2 | 80% | 0.796 | 83% | 0.833 | S | S | * | * | trans | -55.5 | 169.7 | 168.1 | -92 | -178.4 | 167.1 | -168.2 | 0 | 113.2 | ||||
| 134 | Q | 41.8 | Very low | 48.1 | Very low | 186 Ų | 186 | 150.1 Ų | 150.1 | 87% | 0.869 | 84% | 0.836 | S | S | * | * | trans | 80.3 | 123.5 | 160 | -88.6 | 168.6 | 6.8 | 0 | 0 | 113.6 | ||||
| 135 | V | 48.7 | Very low | 48.4 | Very low | 208 Ų | 208 | 147.1 Ų | 147.1 | 100% | 1.261 | 83% | 0.834 | S | S | * | * | cis | -145.2 | 0 | 29.5 | 173.5 | 0 | 0 | 0 | 0 | 109.4 |
Retrieved 135 of 135 residues in 195.8 ms
(Link to these results)