| 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 | 57.3 | Low | 84.3 | Confident | 181 Ų | 181 | 86.5 Ų | 86.5 | 89% | 0.892 | 43% | 0.432 | S | S | * | . | 0 | -46 | 0 | -119.7 | 179.4 | -159.5 | 0 | 0 | 111 | K4 F5 | M1-K4 VanDerWaalsContact O-CG 3.3Å; M1-K4 WeakPolarHBondContact O-CG 3.45Å; M1-F5 WeakPolarHBondContact O-CD2 3.39Å | |||
| 2 | A | 68.4 | Low | 85.3 | Confident | 61 Ų | 61 | 85.8 Ų | 85.8 | 50% | 0.504 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.8 | -45.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113 | K4 F5 D6 | A2-K4 VanDerWaalsContact C-N 3.27Å; A2-K4 PolarHBondContact O-N 2.83Å; A2-F5 WeakPolarHBondContact O-CA 3.25Å; A2-F5 WeakPolarHBondContact O-CB 3.34Å; A2-F5 PolarHBondContact O-N 3.34Å; A2-D6 VanDerWaalsContact O-CG 3.24Å; A2-D6 PolarHBondContact O-N 3.38Å |
| 3 | E | 77.4 | Confident | 86.1 | Confident | 160 Ų | 160 | 88.8 Ų | 88.8 | 75% | 0.748 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -52.6 | -34.9 | -174.4 | -65.3 | 176.9 | 162.3 | 0 | 0 | 115.7 | D6 H7 | E3-D6 WeakPolarHBondContact CA-OD2 3.49Å; E3-D6 PolarHBondContact N-OD2 2.96Å; E3-H7 PolarHBondContact O-N 3.18Å |
| 4 | K | 81.4 | Confident | 86.8 | Confident | 38 Ų | 38 | 89.8 Ų | 89.8 | 17% | 0.165 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -72.4 | -29.6 | 177.3 | 62.2 | 174.1 | -176.5 | -179.8 | 0 | 113.1 | M1 A2 Q57 L58 D60 | M1-K4 VanDerWaalsContact O-CG 3.3Å; M1-K4 WeakPolarHBondContact O-CG 3.45Å; A2-K4 VanDerWaalsContact C-N 3.27Å; A2-K4 PolarHBondContact O-N 2.83Å; K4-Q57 HydrophobicContact CB-CB 4.38Å; K4-Q57 WeakPolarHBondContact CD-O 3.38Å; K4-L58 HydrophobicContact CB-CD2 4.45Å; K4-L58 HydrophobicContact CD-CD2 3.96Å; K4-L58 HydrophobicContact CG-CD2 4.11Å; K4-D60 IonicContact NZ-OD1 2.77Å; K4-D60 PolarHBondContact NZ-OD1 3.28Å; K4-D60 IonicContact NZ-OD2 2.61Å; K4-D60 PolarHBondContact NZ-OD2 3.11Å |
| 5 | F | 88.8 | Confident | 87.4 | Confident | 92 Ų | 92 | 85.8 Ų | 85.8 | 40% | 0.404 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -78.8 | -40.3 | 173.8 | -66.4 | -73 | 0 | 0 | 0 | 110.9 | M1 A2 H7 L8 E9 L58 I61 | M1-F5 WeakPolarHBondContact O-CD2 3.39Å; A2-F5 WeakPolarHBondContact O-CA 3.25Å; A2-F5 WeakPolarHBondContact O-CB 3.34Å; A2-F5 PolarHBondContact O-N 3.34Å; F5-H7 PolarHBondContact O-N 3.37Å; F5-L8 PolarHBondContact O-N 3.06Å; F5-L8 VanDerWaalsContact O-N 3.1Å; F5-E9 WeakPolarHBondContact O-CB 3.4Å; F5-E9 PolarHBondContact O-N 3.35Å; F5-L58 HydrophobicContact CD1-CD2 4.02Å; F5-L58 HydrophobicContact CE1-CD2 3.92Å; F5-L58 HydrophobicContact CZ-CD2 4.48Å; F5-I61 HydrophobicContact CE1-CD1 3.36Å; F5-I61 HydrophobicContact CE2-CD1 4.15Å; F5-I61 HydrophobicContact CZ-CD1 3.14Å; F5-I61 HydrophobicContact CZ-CG1 4.13Å |
| 6 | D | 90.9 | Very high | 88 | Confident | 83 Ų | 83 | 86.4 Ų | 86.4 | 44% | 0.444 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -56.1 | -41 | 177.8 | -55.4 | -22.9 | 0 | 0 | 0 | 110.7 | A2 E3 E9 E10 | A2-D6 VanDerWaalsContact O-CG 3.24Å; A2-D6 PolarHBondContact O-N 3.38Å; E3-D6 WeakPolarHBondContact CA-OD2 3.49Å; E3-D6 PolarHBondContact N-OD2 2.96Å; D6-E9 PolarHBondContact O-N 3.32Å; D6-E10 WeakPolarHBondContact O-CB 3.31Å; D6-E10 PolarHBondContact O-N 2.69Å |
| 7 | H | 89.9 | Confident | 88.5 | Confident | 72 Ų | 72 | 85.4 Ų | 85.4 | 33% | 0.333 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -67.2 | -43.2 | 177.3 | -164.6 | 57.4 | 0 | 0 | 0 | 113.3 | E3 F5 E9 H11 | E3-H7 PolarHBondContact O-N 3.18Å; F5-H7 PolarHBondContact O-N 3.37Å; H7-E9 VanDerWaalsContact C-N 3.34Å; H7-H11 AromaticContact CD2-CD2 3.72Å; H7-H11 AromaticContact CD2-NE2 3.67Å; H7-H11 AromaticContact CE1-CD2 3.7Å; H7-H11 AromaticContact CE1-NE2 3.07Å; H7-H11 PolarHBondContact CE1-NE2 3.43Å; H7-H11 AromaticContact ND1-NE2 3.79Å; H7-H11 AromaticContact NE2-CD2 3.51Å; H7-H11 AromaticContact NE2-NE2 2.96Å; H7-H11 PolarHBondContact NE2-NE2 3.37Å; H7-H11 PolarHBondContact O-CD2 2.86Å; H7-H11 PolarHBondContact O-N 3.07Å |
| 8 | L | 92.1 | Very high | 88.8 | Confident | 38 Ų | 38 | 82.3 Ų | 82.3 | 20% | 0.199 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -64 | -43.3 | 176.1 | 174.3 | 63.7 | 0 | 0 | 0 | 110.7 | F5 H11 L12 I51 C54 L58 | F5-L8 PolarHBondContact O-N 3.06Å; F5-L8 VanDerWaalsContact O-N 3.1Å; L8-H11 PolarHBondContact O-N 3.34Å; L8-L12 HydrophobicContact CD1-CD1 4.06Å; L8-L12 HydrophobicContact CD1-CG 4.07Å; L8-L12 HydrophobicContact CD2-CD1 4.33Å; L8-L12 HydrophobicContact CG-CD1 3.83Å; L8-L12 HydrophobicContact CG-CG 4.29Å; L8-L12 WeakPolarHBondContact O-CB 3.34Å; L8-L12 VanDerWaalsContact O-CG 3.3Å; L8-L12 WeakPolarHBondContact O-CG 3.44Å; L8-L12 PolarHBondContact O-N 3.28Å; L8-I51 HydrophobicContact CD1-CG2 4.15Å; L8-C54 HydrophobicContact CB-CB 4.42Å; L8-C54 HydrophobicContact CD1-CB 3.96Å; L8-L58 HydrophobicContact CB-CD1 4.42Å; L8-L58 HydrophobicContact CD2-CD1 3.42Å; L8-L58 VanDerWaalsContact CD2-CD1 3.42Å; L8-L58 HydrophobicContact CG-CD1 4.4Å |
| 9 | E | 93.5 | Very high | 89.2 | Confident | 105 Ų | 105 | 82.2 Ų | 82.2 | 49% | 0.491 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.2 | -49.1 | 178.1 | -176.2 | 169.8 | -161.3 | 0 | 0 | 111 | F5 D6 H7 H11 L12 E13 | F5-E9 WeakPolarHBondContact O-CB 3.4Å; F5-E9 PolarHBondContact O-N 3.35Å; D6-E9 PolarHBondContact O-N 3.32Å; H7-E9 VanDerWaalsContact C-N 3.34Å; E9-H11 VanDerWaalsContact C-N 3.32Å; E9-H11 PolarHBondContact O-N 3.42Å; E9-L12 PolarHBondContact O-N 2.91Å; E9-L12 VanDerWaalsContact O-N 3.13Å; E9-E13 WeakPolarHBondContact O-CG 3.42Å; E9-E13 PolarHBondContact O-N 3.38Å |
| 10 | E | 94.1 | Very high | 89.6 | Confident | 88 Ų | 88 | 84.6 Ų | 84.6 | 41% | 0.411 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -57 | -43.3 | 177.3 | -173.4 | -172.6 | 177.1 | 0 | 0 | 112.2 | D6 K14 | D6-E10 WeakPolarHBondContact O-CB 3.31Å; D6-E10 PolarHBondContact O-N 2.69Å; E10-K14 VanDerWaalsContact CD-NZ 3.35Å; E10-K14 HydrophobicContact CG-CD 4.34Å; E10-K14 WeakPolarHBondContact O-CB 3.41Å; E10-K14 VanDerWaalsContact O-CG 3.27Å; E10-K14 WeakPolarHBondContact O-CG 3.48Å; E10-K14 PolarHBondContact O-N 2.96Å; E10-K14 VanDerWaalsContact OE1-CE 3.3Å; E10-K14 WeakPolarHBondContact OE1-CE 3.44Å; E10-K14 IonicContact OE1-NZ 3.55Å; E10-K14 PolarHBondContact OE1-NZ 2.97Å |
| 11 | H | 93.9 | Very high | 89.8 | Confident | 34 Ų | 34 | 83.4 Ų | 83.4 | 16% | 0.157 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -68.7 | -38.9 | 177.2 | -76.9 | -62.8 | 0 | 0 | 0 | 112.7 | H7 L8 E9 F15 I51 | H7-H11 AromaticContact CD2-CD2 3.72Å; H7-H11 AromaticContact CD2-NE2 3.67Å; H7-H11 AromaticContact CE1-CD2 3.7Å; H7-H11 AromaticContact CE1-NE2 3.07Å; H7-H11 PolarHBondContact CE1-NE2 3.43Å; H7-H11 AromaticContact ND1-NE2 3.79Å; H7-H11 AromaticContact NE2-CD2 3.51Å; H7-H11 AromaticContact NE2-NE2 2.96Å; H7-H11 PolarHBondContact NE2-NE2 3.37Å; H7-H11 PolarHBondContact O-CD2 2.86Å; H7-H11 PolarHBondContact O-N 3.07Å; L8-H11 PolarHBondContact O-N 3.34Å; E9-H11 VanDerWaalsContact C-N 3.32Å; E9-H11 PolarHBondContact O-N 3.42Å; H11-F15 VanDerWaalsContact O-CB 3.23Å; H11-F15 WeakPolarHBondContact O-CB 3.28Å; H11-F15 PolarHBondContact O-N 3.33Å; H11-I51 HydrophobicContact CB-CG1 4.13Å |
| 12 | L | 95.9 | Very high | 91.6 | Very high | 77 Ų | 77 | 76.2 Ų | 76.2 | 40% | 0.403 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.1 | -45 | 175.6 | -74.7 | 171.6 | 0 | 0 | 0 | 111.4 | L8 E9 F15 V16 I51 | L8-L12 HydrophobicContact CD1-CD1 4.06Å; L8-L12 HydrophobicContact CD1-CG 4.07Å; L8-L12 HydrophobicContact CD2-CD1 4.33Å; L8-L12 HydrophobicContact CG-CD1 3.83Å; L8-L12 HydrophobicContact CG-CG 4.29Å; L8-L12 WeakPolarHBondContact O-CB 3.34Å; L8-L12 VanDerWaalsContact O-CG 3.3Å; L8-L12 WeakPolarHBondContact O-CG 3.44Å; L8-L12 PolarHBondContact O-N 3.28Å; E9-L12 PolarHBondContact O-N 2.91Å; E9-L12 VanDerWaalsContact O-N 3.13Å; L12-F15 WeakPolarHBondContact O-CB 3.29Å; L12-F15 PolarHBondContact O-N 3.48Å; L12-V16 WeakPolarHBondContact O-CG2 3.47Å; L12-V16 PolarHBondContact O-N 3.04Å; L12-I51 HydrophobicContact CD2-CD1 3.93Å; L12-I51 HydrophobicContact CD2-CG1 4.34Å; L12-I51 HydrophobicContact CD2-CG2 4.39Å |
| 13 | E | 96.2 | Very high | 92.9 | Very high | 125 Ų | 125 | 75 Ų | 75 | 58% | 0.584 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -60.7 | -48.2 | 176.8 | -73.2 | -173 | 156.9 | 0 | 0 | 111.6 | E9 F15 V16 E17 | E9-E13 WeakPolarHBondContact O-CG 3.42Å; E9-E13 PolarHBondContact O-N 3.38Å; E13-F15 VanDerWaalsContact C-N 3.26Å; E13-F15 PolarHBondContact O-N 2.71Å; E13-V16 PolarHBondContact O-N 3.46Å; E13-E17 WeakPolarHBondContact O-CB 3.45Å; E13-E17 PolarHBondContact O-N 3.25Å |
| 14 | K | 94.9 | Very high | 93.8 | Very high | 103 Ų | 103 | 71.7 Ų | 71.7 | 45% | 0.448 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.2 | -39.2 | 175.1 | -74.6 | 173 | -174.4 | 169.4 | 0 | 111.8 | E10 N18 | E10-K14 VanDerWaalsContact CD-NZ 3.35Å; E10-K14 HydrophobicContact CG-CD 4.34Å; E10-K14 WeakPolarHBondContact O-CB 3.41Å; E10-K14 VanDerWaalsContact O-CG 3.27Å; E10-K14 WeakPolarHBondContact O-CG 3.48Å; E10-K14 PolarHBondContact O-N 2.96Å; E10-K14 VanDerWaalsContact OE1-CE 3.3Å; E10-K14 WeakPolarHBondContact OE1-CE 3.44Å; E10-K14 IonicContact OE1-NZ 3.55Å; E10-K14 PolarHBondContact OE1-NZ 2.97Å; K14-N18 WeakPolarHBondContact O-CB 3.44Å; K14-N18 PolarHBondContact O-N 3.01Å; K14-N18 PolarHBondContact O-ND2 3.39Å; K14-N18 VanDerWaalsContact O-ND2 3.1Å |
| 15 | F | 96.8 | Very high | 94.4 | Very high | 30 Ų | 30 | 71.8 Ų | 71.8 | 13% | 0.132 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.4 | -47.3 | 178.9 | -178 | -106.1 | 0 | 0 | 0 | 112.1 | H11 L12 E13 E17 N18 I19 I44 L48 I51 | H11-F15 VanDerWaalsContact O-CB 3.23Å; H11-F15 WeakPolarHBondContact O-CB 3.28Å; H11-F15 PolarHBondContact O-N 3.33Å; L12-F15 WeakPolarHBondContact O-CB 3.29Å; L12-F15 PolarHBondContact O-N 3.48Å; E13-F15 VanDerWaalsContact C-N 3.26Å; E13-F15 PolarHBondContact O-N 2.71Å; F15-E17 VanDerWaalsContact C-N 3.3Å; F15-E17 PolarHBondContact O-N 3.5Å; F15-N18 PolarHBondContact O-N 3.09Å; F15-I19 HydrophobicContact CD1-CD1 3.91Å; F15-I19 HydrophobicContact CE1-CD1 3.34Å; F15-I19 HydrophobicContact CE1-CG1 4.33Å; F15-I19 HydrophobicContact CE2-CD1 4.39Å; F15-I19 HydrophobicContact CZ-CD1 3.62Å; F15-I19 HydrophobicContact CZ-CG1 4.31Å; F15-I19 PolarHBondContact O-N 2.86Å; F15-I44 HydrophobicContact CE2-CB 4.34Å; F15-I44 HydrophobicContact CE2-CG2 3.8Å; F15-I44 HydrophobicContact CZ-CG2 4.23Å; F15-L48 HydrophobicContact CE1-CD2 4.14Å; F15-L48 HydrophobicContact CE2-CD1 4.49Å; F15-L48 HydrophobicContact CE2-CD2 3.85Å; F15-L48 HydrophobicContact CE2-CG 3.65Å; F15-L48 HydrophobicContact CZ-CD1 4.39Å; F15-L48 HydrophobicContact CZ-CD2 3.49Å; F15-L48 VanDerWaalsContact CZ-CD2 3.49Å; F15-L48 HydrophobicContact CZ-CG 3.74Å; F15-I51 HydrophobicContact CB-CD1 3.8Å; F15-I51 HydrophobicContact CD1-CD1 4.05Å; F15-I51 HydrophobicContact CD2-CD1 4.2Å; F15-I51 HydrophobicContact CG-CD1 3.75Å |
| 16 | V | 96.7 | Very high | 94.7 | Very high | 95 Ų | 95 | 71.5 Ų | 71.5 | 58% | 0.576 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -58.7 | -43.7 | 175.4 | 171 | 0 | 0 | 0 | 0 | 110.7 | L12 E13 N18 I19 R20 | L12-V16 WeakPolarHBondContact O-CG2 3.47Å; L12-V16 PolarHBondContact O-N 3.04Å; E13-V16 PolarHBondContact O-N 3.46Å; V16-N18 PolarHBondContact O-N 2.87Å; V16-I19 PolarHBondContact O-N 3.03Å; V16-R20 PolarHBondContact O-N 3.17Å |
| 17 | E | 95.8 | Very high | 95 | Very high | 70 Ų | 70 | 72.7 Ų | 72.7 | 33% | 0.327 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.8 | -39.7 | 177.6 | 178.4 | 54.9 | -158.3 | 0 | 0 | 112.4 | E13 F15 I19 R20 Q21 | E13-E17 WeakPolarHBondContact O-CB 3.45Å; E13-E17 PolarHBondContact O-N 3.25Å; F15-E17 VanDerWaalsContact C-N 3.3Å; F15-E17 PolarHBondContact O-N 3.5Å; E17-I19 VanDerWaalsContact C-N 3.35Å; E17-I19 PolarHBondContact O-N 3.3Å; E17-R20 WeakPolarHBondContact O-CB 3.38Å; E17-R20 PolarHBondContact O-N 3.24Å; E17-R20 IonicContact OE1-CZ 3.51Å; E17-R20 IonicContact OE1-NE 3.56Å; E17-R20 PolarHBondContact OE1-NE 3.45Å; E17-R20 IonicContact OE1-NH2 3.79Å; E17-R20 PolarHBondContact OE1-NH2 3.33Å; E17-R20 IonicContact OE2-CZ 3.08Å; E17-R20 IonicContact OE2-NE 2.66Å; E17-R20 PolarHBondContact OE2-NE 3.05Å; E17-R20 IonicContact OE2-NH2 3.42Å; E17-Q21 WeakPolarHBondContact O-CG 3.33Å; E17-Q21 PolarHBondContact O-N 3.43Å; E17-Q21 WeakPolarHBondContact OE1-CG 3.4Å; E17-Q21 PolarHBondContact OE1-NE2 3.18Å |
| 18 | N | 94.9 | Very high | 95.3 | Very high | 29 Ų | 29 | 74.9 Ų | 74.9 | 16% | 0.155 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.1 | -40.5 | 173.9 | -80.8 | -42.7 | 0 | 0 | 0 | 112.3 | K14 F15 V16 Q21 L22 K40 I44 | K14-N18 WeakPolarHBondContact O-CB 3.44Å; K14-N18 PolarHBondContact O-N 3.01Å; K14-N18 PolarHBondContact O-ND2 3.39Å; K14-N18 VanDerWaalsContact O-ND2 3.1Å; F15-N18 PolarHBondContact O-N 3.09Å; V16-N18 PolarHBondContact O-N 2.87Å; N18-Q21 PolarHBondContact O-N 3.04Å; N18-L22 WeakPolarHBondContact O-CB 3.49Å; N18-L22 PolarHBondContact O-N 3.47Å; N18-K40 PolarHBondContact OD1-NZ 3.21Å; N18-I44 HydrophobicContact CB-CG1 4.41Å |
| 19 | I | 96.1 | Very high | 95.5 | Very high | 81 Ų | 81 | 77.3 Ų | 77.3 | 42% | 0.415 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.8 | -44.1 | 174.4 | -70.3 | 176.6 | 0 | 0 | 0 | 110.7 | F15 V16 E17 Q21 L22 G23 I44 | F15-I19 HydrophobicContact CD1-CD1 3.91Å; F15-I19 HydrophobicContact CE1-CD1 3.34Å; F15-I19 HydrophobicContact CE1-CG1 4.33Å; F15-I19 HydrophobicContact CE2-CD1 4.39Å; F15-I19 HydrophobicContact CZ-CD1 3.62Å; F15-I19 HydrophobicContact CZ-CG1 4.31Å; F15-I19 PolarHBondContact O-N 2.86Å; V16-I19 PolarHBondContact O-N 3.03Å; E17-I19 VanDerWaalsContact C-N 3.35Å; E17-I19 PolarHBondContact O-N 3.3Å; I19-Q21 PolarHBondContact O-N 2.8Å; I19-L22 WeakPolarHBondContact O-CB 3.3Å; I19-L22 PolarHBondContact O-N 3.48Å; I19-G23 PolarHBondContact O-N 2.91Å; I19-I44 HydrophobicContact CG1-CD1 4.29Å; I19-I44 HydrophobicContact CG1-CG1 4.44Å |
| 20 | R | 96.5 | Very high | 95.5 | Very high | 129 Ų | 129 | 77 Ų | 77 | 49% | 0.487 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59 | -47.3 | 177.9 | -170.3 | -166.7 | 70.2 | 80.7 | 3.9 | 111.4 | V16 E17 G23 I24 | V16-R20 PolarHBondContact O-N 3.17Å; E17-R20 WeakPolarHBondContact O-CB 3.38Å; E17-R20 PolarHBondContact O-N 3.24Å; E17-R20 IonicContact OE1-CZ 3.51Å; E17-R20 IonicContact OE1-NE 3.56Å; E17-R20 PolarHBondContact OE1-NE 3.45Å; E17-R20 IonicContact OE1-NH2 3.79Å; E17-R20 PolarHBondContact OE1-NH2 3.33Å; E17-R20 IonicContact OE2-CZ 3.08Å; E17-R20 IonicContact OE2-NE 2.66Å; E17-R20 PolarHBondContact OE2-NE 3.05Å; E17-R20 IonicContact OE2-NH2 3.42Å; R20-G23 PolarHBondContact O-N 2.93Å; R20-I24 PolarHBondContact O-N 3.29Å; R20-I24 VanDerWaalsContact O-N 3.09Å |
| 21 | Q | 94.1 | Very high | 95.5 | Very high | 61 Ų | 61 | 78.4 Ų | 78.4 | 29% | 0.285 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -64.4 | -39.9 | 177.7 | -69.6 | 177.8 | 9.8 | 0 | 0 | 112.3 | E17 N18 I19 G23 I24 I25 K40 | E17-Q21 WeakPolarHBondContact O-CG 3.33Å; E17-Q21 PolarHBondContact O-N 3.43Å; E17-Q21 WeakPolarHBondContact OE1-CG 3.4Å; E17-Q21 PolarHBondContact OE1-NE2 3.18Å; N18-Q21 PolarHBondContact O-N 3.04Å; I19-Q21 PolarHBondContact O-N 2.8Å; Q21-G23 VanDerWaalsContact C-N 3.31Å; Q21-G23 PolarHBondContact O-N 3.19Å; Q21-I24 PolarHBondContact O-N 3.12Å; Q21-I25 WeakPolarHBondContact O-CG1 3.47Å; Q21-I25 PolarHBondContact O-N 3.31Å; Q21-K40 HydrophobicContact CB-CD 4.36Å |
| 22 | L | 95.5 | Very high | 95.6 | Very high | 30 Ų | 30 | 81.2 Ų | 81.2 | 16% | 0.157 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -57.4 | -46.8 | 171.7 | 174.9 | 66.3 | 0 | 0 | 0 | 110.8 | N18 I19 I24 I25 V26 L37 K40 L41 I44 | N18-L22 WeakPolarHBondContact O-CB 3.49Å; N18-L22 PolarHBondContact O-N 3.47Å; I19-L22 WeakPolarHBondContact O-CB 3.3Å; I19-L22 PolarHBondContact O-N 3.48Å; L22-I24 VanDerWaalsContact C-N 3.27Å; L22-I24 PolarHBondContact O-N 2.99Å; L22-I25 PolarHBondContact O-N 3.48Å; L22-V26 HydrophobicContact CD1-CG2 4.02Å; L22-V26 HydrophobicContact CG-CG2 4.36Å; L22-V26 WeakPolarHBondContact O-CG2 3.48Å; L22-V26 PolarHBondContact O-N 2.93Å; L22-L37 HydrophobicContact CD1-CD1 3.18Å; L22-K40 HydrophobicContact CD1-CB 4.38Å; L22-L41 HydrophobicContact CD1-CD2 4.37Å; L22-L41 HydrophobicContact CD2-CD2 4.07Å; L22-I44 HydrophobicContact CB-CD1 4.2Å; L22-I44 HydrophobicContact CD2-CD1 3.35Å; L22-I44 HydrophobicContact CG-CD1 4.32Å |
| 23 | G | 95.7 | Very high | 95.5 | Very high | 35 Ų | 35 | 79.2 Ų | 79.2 | 36% | 0.361 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -56.7 | -40.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | I19 R20 Q21 S27 | I19-G23 PolarHBondContact O-N 2.91Å; R20-G23 PolarHBondContact O-N 2.93Å; Q21-G23 VanDerWaalsContact C-N 3.31Å; Q21-G23 PolarHBondContact O-N 3.19Å; G23-S27 WeakPolarHBondContact O-CB 3.31Å; G23-S27 PolarHBondContact O-N 2.87Å; G23-S27 PolarHBondContact O-OG 3.49Å |
| 24 | I | 95.3 | Very high | 95.4 | Very high | 91 Ų | 91 | 77.2 Ų | 77.2 | 47% | 0.467 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -64.5 | -48.7 | 175.5 | -67.7 | 166.1 | 0 | 0 | 0 | 111.3 | R20 Q21 L22 V26 S27 D28 | R20-I24 PolarHBondContact O-N 3.29Å; R20-I24 VanDerWaalsContact O-N 3.09Å; Q21-I24 PolarHBondContact O-N 3.12Å; L22-I24 VanDerWaalsContact C-N 3.27Å; L22-I24 PolarHBondContact O-N 2.99Å; I24-V26 VanDerWaalsContact C-N 3.28Å; I24-V26 PolarHBondContact O-N 3.38Å; I24-S27 PolarHBondContact O-N 2.92Å; I24-D28 PolarHBondContact O-N 3.26Å |
| 25 | I | 95.1 | Very high | 95.4 | Very high | 39 Ų | 39 | 75.8 Ų | 75.8 | 20% | 0.2 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -60.4 | -40.4 | -179.5 | -66.6 | 166.2 | 0 | 0 | 0 | 111.1 | Q21 L22 D28 F29 L37 K40 | Q21-I25 WeakPolarHBondContact O-CG1 3.47Å; Q21-I25 PolarHBondContact O-N 3.31Å; L22-I25 PolarHBondContact O-N 3.48Å; I25-D28 CarbonylContact O-C 3.43Å; I25-F29 VanDerWaalsContact O-CA 3.27Å; I25-F29 WeakPolarHBondContact O-CA 3.44Å; I25-F29 PolarHBondContact O-N 3.17Å; I25-L37 HydrophobicContact CG2-CB 4.06Å; I25-L37 HydrophobicContact CG2-CD1 4.39Å; I25-K40 HydrophobicContact CD1-CG 3.96Å |
| 26 | V | 95.9 | Very high | 95.2 | Very high | 87 Ų | 87 | 75.6 Ų | 75.6 | 53% | 0.527 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -72.5 | -34.3 | 179.4 | 173.8 | 0 | 0 | 0 | 0 | 111.5 | L22 I24 L37 | L22-V26 HydrophobicContact CD1-CG2 4.02Å; L22-V26 HydrophobicContact CG-CG2 4.36Å; L22-V26 WeakPolarHBondContact O-CG2 3.48Å; L22-V26 PolarHBondContact O-N 2.93Å; I24-V26 VanDerWaalsContact C-N 3.28Å; I24-V26 PolarHBondContact O-N 3.38Å; V26-L37 HydrophobicContact CG2-CD1 3.97Å |
| 27 | S | 96.9 | Very high | 95.1 | Very high | 108 Ų | 108 | 72.3 Ų | 72.3 | 76% | 0.755 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -68.5 | -31.9 | 179.8 | -60.3 | 0 | 0 | 0 | 0 | 113.2 | G23 I24 | G23-S27 WeakPolarHBondContact O-CB 3.31Å; G23-S27 PolarHBondContact O-N 2.87Å; G23-S27 PolarHBondContact O-OG 3.49Å; I24-S27 PolarHBondContact O-N 2.92Å |
| 28 | D | 94.8 | Very high | 95.1 | Very high | 117 Ų | 117 | 72.6 Ų | 72.6 | 63% | 0.626 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.7 | 60.3 | 176.4 | -172.5 | 28.1 | 0 | 0 | 0 | 110.8 | I24 I25 Q30 | I24-D28 PolarHBondContact O-N 3.26Å; I25-D28 CarbonylContact O-C 3.43Å; D28-Q30 PolarHBondContact O-N 3.01Å |
| 29 | F | 96.1 | Very high | 95.1 | Very high | 89 Ų | 89 | 76.4 Ų | 76.4 | 39% | 0.39 | 43% | 0.434 | S | S | . | . | trans | -73.4 | 130.3 | -174.8 | -177.8 | -96 | 0 | 0 | 0 | 112.2 | I25 Q34 L37 | I25-F29 VanDerWaalsContact O-CA 3.27Å; I25-F29 WeakPolarHBondContact O-CA 3.44Å; I25-F29 PolarHBondContact O-N 3.17Å; F29-Q34 HydrophobicContact CE2-CB 4.46Å; F29-Q34 HydrophobicContact CZ-CB 4.15Å; F29-Q34 VanDerWaalsContact CZ-OE1 3.28Å; F29-L37 HydrophobicContact CD2-CD2 4.23Å; F29-L37 HydrophobicContact CE2-CD2 3.83Å | ||
| 30 | Q | 94.4 | Very high | 95 | Very high | 100 Ų | 100 | 74 Ų | 74 | 47% | 0.467 | 42% | 0.42 | S | S | . | . | trans | -122.7 | 152.3 | 169.9 | -62.5 | -173.7 | -16.7 | 0 | 0 | 109.9 | D28 S32 S33 | D28-Q30 PolarHBondContact O-N 3.01Å; Q30-S32 PolarHBondContact O-N 3.38Å; Q30-S32 VanDerWaalsContact O-N 3.12Å; Q30-S33 WeakPolarHBondContact O-CA 3.32Å; Q30-S33 VanDerWaalsContact O-CB 3.25Å; Q30-S33 WeakPolarHBondContact O-CB 3.27Å; Q30-S33 PolarHBondContact O-N 2.99Å | ||
| 31 | P | 94.7 | Very high | 95 | Very high | 117 Ų | 117 | 71.6 Ų | 71.6 | 76% | 0.76 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -55 | -32.5 | 177.5 | -27.4 | 35.3 | 0 | 0 | 0 | 114 | S33 Q34 | P31-S33 VanDerWaalsContact C-N 3.26Å; P31-S33 PolarHBondContact O-N 3.46Å; P31-Q34 WeakPolarHBondContact O-CB 3.48Å; P31-Q34 PolarHBondContact O-N 3.03Å |
| 32 | S | 94.5 | Very high | 95.1 | Very high | 92 Ų | 92 | 73.7 Ų | 73.7 | 64% | 0.643 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -63.6 | -27.8 | 173 | 46 | 0 | 0 | 0 | 0 | 113.3 | Q30 Q34 | Q30-S32 PolarHBondContact O-N 3.38Å; Q30-S32 VanDerWaalsContact O-N 3.12Å; S32-Q34 VanDerWaalsContact C-N 3.32Å; S32-Q34 PolarHBondContact O-N 3.07Å |
| 33 | S | 93.9 | Very high | 95.1 | Very high | 36 Ų | 36 | 76.4 Ų | 76.4 | 25% | 0.252 | 44% | 0.44 | S | S | . | . | G | 310 helix | trans | -79.8 | -9.4 | -178.9 | -54 | 0 | 0 | 0 | 0 | 113.7 | Q30 P31 A35 G36 L37 | Q30-S33 WeakPolarHBondContact O-CA 3.32Å; Q30-S33 VanDerWaalsContact O-CB 3.25Å; Q30-S33 WeakPolarHBondContact O-CB 3.27Å; Q30-S33 PolarHBondContact O-N 2.99Å; P31-S33 VanDerWaalsContact C-N 3.26Å; P31-S33 PolarHBondContact O-N 3.46Å; S33-A35 VanDerWaalsContact C-N 3.28Å; S33-A35 PolarHBondContact O-N 3.4Å; S33-G36 PolarHBondContact O-N 3.35Å; S33-G36 VanDerWaalsContact O-N 3.09Å; S33-L37 PolarHBondContact O-N 3.49Å |
| 34 | Q | 94.8 | Very high | 95.1 | Very high | 82 Ų | 82 | 76 Ų | 76 | 38% | 0.383 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -55.3 | -40.8 | -177.3 | -175.7 | 64.6 | 53.9 | 0 | 0 | 113 | F29 P31 S32 L37 N38 | F29-Q34 HydrophobicContact CE2-CB 4.46Å; F29-Q34 HydrophobicContact CZ-CB 4.15Å; F29-Q34 VanDerWaalsContact CZ-OE1 3.28Å; P31-Q34 WeakPolarHBondContact O-CB 3.48Å; P31-Q34 PolarHBondContact O-N 3.03Å; S32-Q34 VanDerWaalsContact C-N 3.32Å; S32-Q34 PolarHBondContact O-N 3.07Å; Q34-L37 WeakPolarHBondContact O-CB 3.39Å; Q34-L37 PolarHBondContact O-N 2.78Å; Q34-N38 PolarHBondContact NE2-OD1 3.5Å; Q34-N38 VanDerWaalsContact O-CG 3.31Å; Q34-N38 PolarHBondContact O-N 3.29Å |
| 35 | A | 94.9 | Very high | 95.1 | Very high | 73 Ų | 73 | 75.5 Ų | 75.5 | 60% | 0.603 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -64.6 | -44.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S33 N38 Q39 | S33-A35 VanDerWaalsContact C-N 3.28Å; S33-A35 PolarHBondContact O-N 3.4Å; A35-N38 PolarHBondContact O-N 3.44Å; A35-Q39 WeakPolarHBondContact O-CB 3.46Å; A35-Q39 PolarHBondContact O-N 3.18Å |
| 36 | G | 92.9 | Very high | 95.1 | Very high | 27 Ų | 27 | 76.6 Ų | 76.6 | 28% | 0.278 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65.5 | -37.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | S33 Q39 K40 | S33-G36 PolarHBondContact O-N 3.35Å; S33-G36 VanDerWaalsContact O-N 3.09Å; G36-Q39 PolarHBondContact O-N 3.47Å; G36-K40 WeakPolarHBondContact O-CG 3.45Å; G36-K40 PolarHBondContact O-N 2.93Å |
| 37 | L | 95.1 | Very high | 95.1 | Very high | 25 Ų | 25 | 73.1 Ų | 73.1 | 13% | 0.131 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -59.4 | -52.2 | 173.1 | 175.8 | 60.7 | 0 | 0 | 0 | 111.5 | L22 I25 V26 F29 S33 Q34 Q39 K40 L41 | L22-L37 HydrophobicContact CD1-CD1 3.18Å; I25-L37 HydrophobicContact CG2-CB 4.06Å; I25-L37 HydrophobicContact CG2-CD1 4.39Å; V26-L37 HydrophobicContact CG2-CD1 3.97Å; F29-L37 HydrophobicContact CD2-CD2 4.23Å; F29-L37 HydrophobicContact CE2-CD2 3.83Å; S33-L37 PolarHBondContact O-N 3.49Å; Q34-L37 WeakPolarHBondContact O-CB 3.39Å; Q34-L37 PolarHBondContact O-N 2.78Å; L37-Q39 VanDerWaalsContact C-N 3.29Å; L37-Q39 PolarHBondContact O-N 3.39Å; L37-K40 PolarHBondContact O-N 3.25Å; L37-K40 VanDerWaalsContact O-N 3.14Å; L37-L41 HydrophobicContact CD1-CD1 4.43Å; L37-L41 HydrophobicContact CD1-CG 4.45Å; L37-L41 HydrophobicContact CG-CD1 4.36Å; L37-L41 WeakPolarHBondContact O-CG 3.36Å; L37-L41 PolarHBondContact O-N 2.9Å |
| 38 | N | 95.4 | Very high | 95.1 | Very high | 77 Ų | 77 | 72.5 Ų | 72.5 | 41% | 0.412 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -59.6 | -41.5 | 178.7 | -70.4 | -10.9 | 0 | 0 | 0 | 111.6 | Q34 A35 L41 N42 | Q34-N38 PolarHBondContact NE2-OD1 3.5Å; Q34-N38 VanDerWaalsContact O-CG 3.31Å; Q34-N38 PolarHBondContact O-N 3.29Å; A35-N38 PolarHBondContact O-N 3.44Å; N38-L41 PolarHBondContact O-N 3.48Å; N38-N42 PolarHBondContact O-N 2.97Å; N38-N42 VanDerWaalsContact O-N 3.09Å; N38-N42 PolarHBondContact O-ND2 2.94Å |
| 39 | Q | 94.8 | Very high | 95.1 | Very high | 108 Ų | 108 | 72 Ų | 72 | 51% | 0.505 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 175.8 | -171.7 | -177.9 | 9.5 | 0 | 0 | 111.7 | A35 G36 L37 N42 F43 | A35-Q39 WeakPolarHBondContact O-CB 3.46Å; A35-Q39 PolarHBondContact O-N 3.18Å; G36-Q39 PolarHBondContact O-N 3.47Å; L37-Q39 VanDerWaalsContact C-N 3.29Å; L37-Q39 PolarHBondContact O-N 3.39Å; Q39-N42 PolarHBondContact O-N 2.93Å; Q39-F43 HydrophobicContact CG-CD2 4.21Å; Q39-F43 HydrophobicContact CG-CE1 4.43Å; Q39-F43 HydrophobicContact CG-CE2 3.64Å; Q39-F43 HydrophobicContact CG-CZ 3.78Å; Q39-F43 WeakPolarHBondContact O-CG 3.41Å; Q39-F43 PolarHBondContact O-N 3.34Å |
| 40 | K | 94.4 | Very high | 94.9 | Very high | 30 Ų | 30 | 69.9 Ų | 69.9 | 13% | 0.13 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -65.7 | -39.1 | 178.3 | -76.7 | -74.1 | 152.6 | -176 | 0 | 112.8 | N18 Q21 L22 I25 G36 L37 N42 F43 I44 | N18-K40 PolarHBondContact OD1-NZ 3.21Å; Q21-K40 HydrophobicContact CB-CD 4.36Å; L22-K40 HydrophobicContact CD1-CB 4.38Å; I25-K40 HydrophobicContact CD1-CG 3.96Å; G36-K40 WeakPolarHBondContact O-CG 3.45Å; G36-K40 PolarHBondContact O-N 2.93Å; L37-K40 PolarHBondContact O-N 3.25Å; L37-K40 VanDerWaalsContact O-N 3.14Å; K40-N42 VanDerWaalsContact C-N 3.33Å; K40-N42 PolarHBondContact O-N 3.06Å; K40-F43 HydrophobicContact CD-CD2 4.32Å; K40-F43 PolarHBondContact O-N 2.95Å; K40-I44 WeakPolarHBondContact O-CG1 3.44Å; K40-I44 PolarHBondContact O-N 3.08Å |
| 41 | L | 95.7 | Very high | 94.9 | Very high | 79 Ų | 79 | 66.7 Ų | 66.7 | 41% | 0.414 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60 | -44.3 | 173.5 | -71.6 | 172 | 0 | 0 | 0 | 111.5 | L22 L37 N38 F43 I44 V45 | L22-L41 HydrophobicContact CD1-CD2 4.37Å; L22-L41 HydrophobicContact CD2-CD2 4.07Å; L37-L41 HydrophobicContact CD1-CD1 4.43Å; L37-L41 HydrophobicContact CD1-CG 4.45Å; L37-L41 HydrophobicContact CG-CD1 4.36Å; L37-L41 WeakPolarHBondContact O-CG 3.36Å; L37-L41 PolarHBondContact O-N 2.9Å; N38-L41 PolarHBondContact O-N 3.48Å; L41-F43 VanDerWaalsContact C-N 3.33Å; L41-F43 PolarHBondContact O-N 2.86Å; L41-I44 PolarHBondContact O-N 3.42Å; L41-V45 WeakPolarHBondContact O-CG2 3.39Å; L41-V45 PolarHBondContact O-N 3.08Å |
| 42 | N | 96 | Very high | 94.8 | Very high | 106 Ų | 106 | 66 Ų | 66 | 57% | 0.567 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -61.6 | -41.8 | 174.9 | -71.8 | -34.5 | 0 | 0 | 0 | 111.8 | N38 Q39 K40 I44 V45 T46 | N38-N42 PolarHBondContact O-N 2.97Å; N38-N42 VanDerWaalsContact O-N 3.09Å; N38-N42 PolarHBondContact O-ND2 2.94Å; Q39-N42 PolarHBondContact O-N 2.93Å; K40-N42 VanDerWaalsContact C-N 3.33Å; K40-N42 PolarHBondContact O-N 3.06Å; N42-I44 VanDerWaalsContact C-N 3.31Å; N42-I44 PolarHBondContact O-N 3.46Å; N42-V45 PolarHBondContact O-N 2.82Å; N42-T46 PolarHBondContact O-N 2.78Å; N42-T46 PolarHBondContact O-OG1 2.98Å; N42-T46 VanDerWaalsContact O-OG1 3.13Å |
| 43 | F | 95.5 | Very high | 94.7 | Very high | 86 Ų | 86 | 67.2 Ų | 67.2 | 38% | 0.377 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.9 | -33.1 | 175.7 | -68.1 | -27.4 | 0 | 0 | 0 | 113.6 | Q39 K40 L41 G47 | Q39-F43 HydrophobicContact CG-CD2 4.21Å; Q39-F43 HydrophobicContact CG-CE1 4.43Å; Q39-F43 HydrophobicContact CG-CE2 3.64Å; Q39-F43 HydrophobicContact CG-CZ 3.78Å; Q39-F43 WeakPolarHBondContact O-CG 3.41Å; Q39-F43 PolarHBondContact O-N 3.34Å; K40-F43 HydrophobicContact CD-CD2 4.32Å; K40-F43 PolarHBondContact O-N 2.95Å; L41-F43 VanDerWaalsContact C-N 3.33Å; L41-F43 PolarHBondContact O-N 2.86Å; F43-G47 WeakPolarHBondContact O-CA 3.41Å; F43-G47 PolarHBondContact O-N 3.4Å |
| 44 | I | 95.3 | Very high | 94.5 | Very high | 27 Ų | 27 | 65.7 Ų | 65.7 | 14% | 0.138 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66.7 | -44.7 | 173.4 | -72.3 | 167.4 | 0 | 0 | 0 | 110.4 | F15 N18 I19 L22 K40 L41 N42 G47 L48 | F15-I44 HydrophobicContact CE2-CB 4.34Å; F15-I44 HydrophobicContact CE2-CG2 3.8Å; F15-I44 HydrophobicContact CZ-CG2 4.23Å; N18-I44 HydrophobicContact CB-CG1 4.41Å; I19-I44 HydrophobicContact CG1-CD1 4.29Å; I19-I44 HydrophobicContact CG1-CG1 4.44Å; L22-I44 HydrophobicContact CB-CD1 4.2Å; L22-I44 HydrophobicContact CD2-CD1 3.35Å; L22-I44 HydrophobicContact CG-CD1 4.32Å; K40-I44 WeakPolarHBondContact O-CG1 3.44Å; K40-I44 PolarHBondContact O-N 3.08Å; L41-I44 PolarHBondContact O-N 3.42Å; N42-I44 VanDerWaalsContact C-N 3.31Å; N42-I44 PolarHBondContact O-N 3.46Å; I44-G47 PolarHBondContact O-N 3.38Å; I44-L48 HydrophobicContact CG2-CD1 4.48Å; I44-L48 WeakPolarHBondContact O-CG 3.36Å; I44-L48 PolarHBondContact O-N 2.88Å |
| 45 | V | 96.3 | Very high | 94.2 | Very high | 80 Ų | 80 | 70.5 Ų | 70.5 | 49% | 0.485 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.5 | -48.7 | 177 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | L41 N42 L48 Q49 | L41-V45 WeakPolarHBondContact O-CG2 3.39Å; L41-V45 PolarHBondContact O-N 3.08Å; N42-V45 PolarHBondContact O-N 2.82Å; V45-L48 PolarHBondContact O-N 3.36Å; V45-Q49 WeakPolarHBondContact O-CG 3.35Å; V45-Q49 PolarHBondContact O-N 2.87Å |
| 46 | T | 95.9 | Very high | 93.8 | Very high | 63 Ų | 63 | 74.6 Ų | 74.6 | 39% | 0.387 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.7 | -40.3 | 177.2 | -53.6 | 0 | 0 | 0 | 0 | 111.7 | N42 L48 Q49 D50 | N42-T46 PolarHBondContact O-N 2.78Å; N42-T46 PolarHBondContact O-OG1 2.98Å; N42-T46 VanDerWaalsContact O-OG1 3.13Å; T46-L48 PolarHBondContact O-N 3.33Å; T46-Q49 WeakPolarHBondContact O-CB 3.3Å; T46-Q49 PolarHBondContact O-N 2.83Å; T46-Q49 VanDerWaalsContact O-N 3.11Å; T46-D50 PolarHBondContact O-N 3.45Å |
| 47 | G | 95.1 | Very high | 93.5 | Very high | 13 Ų | 13 | 77.7 Ų | 77.7 | 13% | 0.134 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60.5 | -42.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | F43 I44 Q49 D50 I51 | F43-G47 WeakPolarHBondContact O-CA 3.41Å; F43-G47 PolarHBondContact O-N 3.4Å; I44-G47 PolarHBondContact O-N 3.38Å; G47-Q49 VanDerWaalsContact C-N 3.33Å; G47-Q49 PolarHBondContact O-N 3.37Å; G47-D50 PolarHBondContact O-N 3.28Å; G47-I51 VanDerWaalsContact O-CG1 3.29Å; G47-I51 WeakPolarHBondContact O-CG1 3.25Å; G47-I51 PolarHBondContact O-N 2.89Å |
| 48 | L | 95.8 | Very high | 93.1 | Very high | 96 Ų | 96 | 78 Ų | 78 | 50% | 0.503 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.7 | -40.3 | 173.3 | -74.6 | 172.1 | 0 | 0 | 0 | 112.1 | F15 I44 V45 T46 D52 | F15-L48 HydrophobicContact CE1-CD2 4.14Å; F15-L48 HydrophobicContact CE2-CD1 4.49Å; F15-L48 HydrophobicContact CE2-CD2 3.85Å; F15-L48 HydrophobicContact CE2-CG 3.65Å; F15-L48 HydrophobicContact CZ-CD1 4.39Å; F15-L48 HydrophobicContact CZ-CD2 3.49Å; F15-L48 VanDerWaalsContact CZ-CD2 3.49Å; F15-L48 HydrophobicContact CZ-CG 3.74Å; I44-L48 HydrophobicContact CG2-CD1 4.48Å; I44-L48 WeakPolarHBondContact O-CG 3.36Å; I44-L48 PolarHBondContact O-N 2.88Å; V45-L48 PolarHBondContact O-N 3.36Å; T46-L48 PolarHBondContact O-N 3.33Å; L48-D52 PolarHBondContact O-N 3.28Å |
| 49 | Q | 95.4 | Very high | 92.6 | Very high | 106 Ų | 106 | 81.9 Ų | 81.9 | 50% | 0.495 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.3 | -38.8 | 176.5 | -68.6 | 172.7 | -19.1 | 0 | 0 | 112 | V45 T46 G47 D52 K53 | V45-Q49 WeakPolarHBondContact O-CG 3.35Å; V45-Q49 PolarHBondContact O-N 2.87Å; T46-Q49 WeakPolarHBondContact O-CB 3.3Å; T46-Q49 PolarHBondContact O-N 2.83Å; T46-Q49 VanDerWaalsContact O-N 3.11Å; G47-Q49 VanDerWaalsContact C-N 3.33Å; G47-Q49 PolarHBondContact O-N 3.37Å; Q49-D52 PolarHBondContact O-N 2.92Å; Q49-K53 VanDerWaalsContact O-CG 3.31Å; Q49-K53 WeakPolarHBondContact O-CG 3.42Å; Q49-K53 PolarHBondContact O-N 3.33Å |
| 50 | D | 92.9 | Very high | 92.3 | Very high | 44 Ų | 44 | 80.9 Ų | 80.9 | 24% | 0.235 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -72 | -37.9 | 179.5 | -68.9 | -22.1 | 0 | 0 | 0 | 111.8 | T46 G47 K53 C54 | T46-D50 PolarHBondContact O-N 3.45Å; G47-D50 PolarHBondContact O-N 3.28Å; D50-K53 PolarHBondContact O-N 3.43Å; D50-K53 IonicContact OD1-NZ 3.38Å; D50-K53 PolarHBondContact OD1-NZ 2.92Å; D50-C54 PolarHBondContact O-N 2.93Å; D50-C54 PolarHBondContact O-SG 3.2Å |
| 51 | I | 94.1 | Very high | 92.1 | Very high | 34 Ų | 34 | 82.4 Ų | 82.4 | 17% | 0.174 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -60.4 | -45.3 | 170.4 | -68.4 | 162.9 | 0 | 0 | 0 | 110.7 | L8 H11 L12 F15 G47 K53 C54 | L8-I51 HydrophobicContact CD1-CG2 4.15Å; H11-I51 HydrophobicContact CB-CG1 4.13Å; L12-I51 HydrophobicContact CD2-CD1 3.93Å; L12-I51 HydrophobicContact CD2-CG1 4.34Å; L12-I51 HydrophobicContact CD2-CG2 4.39Å; F15-I51 HydrophobicContact CB-CD1 3.8Å; F15-I51 HydrophobicContact CD1-CD1 4.05Å; F15-I51 HydrophobicContact CD2-CD1 4.2Å; F15-I51 HydrophobicContact CG-CD1 3.75Å; G47-I51 VanDerWaalsContact O-CG1 3.29Å; G47-I51 WeakPolarHBondContact O-CG1 3.25Å; G47-I51 PolarHBondContact O-N 2.89Å; I51-K53 VanDerWaalsContact C-N 3.33Å; I51-K53 PolarHBondContact O-N 2.95Å; I51-C54 WeakPolarHBondContact O-CB 3.31Å; I51-C54 PolarHBondContact O-N 3.49Å; I51-C54 VanDerWaalsContact O-N 3.12Å |
| 52 | D | 93.2 | Very high | 91.8 | Very high | 103 Ų | 103 | 84.8 Ų | 84.8 | 55% | 0.551 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -63.9 | -36.5 | 178.8 | -173.2 | 60.7 | 0 | 0 | 0 | 112.3 | L48 Q49 C54 R55 | L48-D52 PolarHBondContact O-N 3.28Å; Q49-D52 PolarHBondContact O-N 2.92Å; D52-C54 VanDerWaalsContact C-N 3.28Å; D52-C54 PolarHBondContact O-N 3.06Å; D52-R55 WeakPolarHBondContact O-CB 3.47Å; D52-R55 PolarHBondContact O-N 3.34Å; D52-R55 VanDerWaalsContact O-N 3.12Å |
| 53 | K | 91.8 | Very high | 91.6 | Very high | 116 Ų | 116 | 83.4 Ų | 83.4 | 50% | 0.504 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.6 | -35.3 | 173.2 | -70.3 | 168.1 | -160.6 | 160 | 0 | 112.5 | Q49 D50 I51 R55 Q56 | Q49-K53 VanDerWaalsContact O-CG 3.31Å; Q49-K53 WeakPolarHBondContact O-CG 3.42Å; Q49-K53 PolarHBondContact O-N 3.33Å; D50-K53 PolarHBondContact O-N 3.43Å; D50-K53 IonicContact OD1-NZ 3.38Å; D50-K53 PolarHBondContact OD1-NZ 2.92Å; I51-K53 VanDerWaalsContact C-N 3.33Å; I51-K53 PolarHBondContact O-N 2.95Å; K53-R55 PolarHBondContact O-N 3.39Å; K53-Q56 PolarHBondContact O-N 3.36Å |
| 54 | C | 90.3 | Very high | 91.5 | Very high | 5 Ų | 5 | 81.9 Ų | 81.9 | 3% | 0.034 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -62.3 | -26.2 | 177.6 | -63.7 | 0 | 0 | 0 | 0 | 112.2 | L8 D50 I51 D52 Q56 Q57 | L8-C54 HydrophobicContact CB-CB 4.42Å; L8-C54 HydrophobicContact CD1-CB 3.96Å; D50-C54 PolarHBondContact O-N 2.93Å; D50-C54 PolarHBondContact O-SG 3.2Å; I51-C54 WeakPolarHBondContact O-CB 3.31Å; I51-C54 PolarHBondContact O-N 3.49Å; I51-C54 VanDerWaalsContact O-N 3.12Å; D52-C54 VanDerWaalsContact C-N 3.28Å; D52-C54 PolarHBondContact O-N 3.06Å; C54-Q56 PolarHBondContact O-N 2.88Å; C54-Q56 VanDerWaalsContact O-N 3.14Å; C54-Q57 WeakPolarHBondContact O-CB 3.4Å; C54-Q57 PolarHBondContact O-N 3.45Å |
| 55 | R | 86.8 | Confident | 91.5 | Very high | 183 Ų | 183 | 87 Ų | 87 | 69% | 0.691 | 45% | 0.445 | S | S | * | . | G | 310 helix | trans | -52.5 | -37.4 | 177.4 | -174.8 | -175.6 | 173.9 | 176.8 | 0.5 | 113 | D52 K53 Q57 L58 | D52-R55 WeakPolarHBondContact O-CB 3.47Å; D52-R55 PolarHBondContact O-N 3.34Å; D52-R55 VanDerWaalsContact O-N 3.12Å; K53-R55 PolarHBondContact O-N 3.39Å; R55-Q57 PolarHBondContact O-N 3.29Å; R55-L58 PolarHBondContact O-N 3.24Å |
| 56 | Q | 86.8 | Confident | 91.4 | Very high | 158 Ų | 158 | 87.7 Ų | 87.7 | 74% | 0.738 | 44% | 0.443 | S | S | * | . | G | 310 helix | trans | -60.4 | -29.9 | -178.4 | -64.9 | -175.2 | -8.2 | 0 | 0 | 112.4 | K53 C54 L58 H59 | K53-Q56 PolarHBondContact O-N 3.36Å; C54-Q56 PolarHBondContact O-N 2.88Å; C54-Q56 VanDerWaalsContact O-N 3.14Å; Q56-L58 VanDerWaalsContact C-N 3.3Å; Q56-L58 PolarHBondContact O-N 3.29Å; Q56-H59 PolarHBondContact O-ND1 3.37Å |
| 57 | Q | 86.4 | Confident | 91.4 | Very high | 93 Ų | 93 | 85.5 Ų | 85.5 | 44% | 0.435 | 43% | 0.43 | S | S | . | . | G | 310 helix | trans | -80.6 | -12.6 | -179.7 | -55.3 | -178.2 | 11 | 0 | 0 | 112.8 | K4 C54 R55 | K4-Q57 HydrophobicContact CB-CB 4.38Å; K4-Q57 WeakPolarHBondContact CD-O 3.38Å; C54-Q57 WeakPolarHBondContact O-CB 3.4Å; C54-Q57 PolarHBondContact O-N 3.45Å; R55-Q57 PolarHBondContact O-N 3.29Å |
| 58 | L | 86.9 | Confident | 91.4 | Very high | 30 Ų | 30 | 89.5 Ų | 89.5 | 16% | 0.157 | 44% | 0.444 | C | S | . | . | G | 310 helix | trans | -112.8 | 14.5 | -171.7 | -58.5 | 172.1 | 0 | 0 | 0 | 112.9 | K4 F5 L8 R55 Q56 D60 I61 | K4-L58 HydrophobicContact CB-CD2 4.45Å; K4-L58 HydrophobicContact CD-CD2 3.96Å; K4-L58 HydrophobicContact CG-CD2 4.11Å; F5-L58 HydrophobicContact CD1-CD2 4.02Å; F5-L58 HydrophobicContact CE1-CD2 3.92Å; F5-L58 HydrophobicContact CZ-CD2 4.48Å; L8-L58 HydrophobicContact CB-CD1 4.42Å; L8-L58 HydrophobicContact CD2-CD1 3.42Å; L8-L58 VanDerWaalsContact CD2-CD1 3.42Å; L8-L58 HydrophobicContact CG-CD1 4.4Å; R55-L58 PolarHBondContact O-N 3.24Å; Q56-L58 VanDerWaalsContact C-N 3.3Å; Q56-L58 PolarHBondContact O-N 3.29Å; L58-D60 PolarHBondContact O-N 2.78Å; L58-D60 VanDerWaalsContact O-N 3.15Å; L58-I61 HydrophobicContact CB-CD1 3.97Å; L58-I61 HydrophobicContact CD2-CD1 3.42Å; L58-I61 VanDerWaalsContact CD2-CD1 3.42Å; L58-I61 HydrophobicContact CG-CD1 4.27Å; L58-I61 PolarHBondContact O-N 3.47Å; L58-I61 VanDerWaalsContact O-N 3.08Å |
| 59 | H | 85.2 | Confident | 91.3 | Very high | 160 Ų | 160 | 90.7 Ų | 90.7 | 74% | 0.741 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -21.7 | -175.7 | 62.8 | -89.5 | 0 | 0 | 0 | 114.3 | Q56 I61 | Q56-H59 PolarHBondContact O-ND1 3.37Å; H59-I61 VanDerWaalsContact C-N 3.32Å |
| 60 | D | 89 | Confident | 91.4 | Very high | 86 Ų | 86 | 86.7 Ų | 86.7 | 46% | 0.46 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -2.9 | 178.9 | 61.6 | -42.2 | 0 | 0 | 0 | 113.4 | K4 L58 | K4-D60 IonicContact NZ-OD1 2.77Å; K4-D60 PolarHBondContact NZ-OD1 3.28Å; K4-D60 IonicContact NZ-OD2 2.61Å; K4-D60 PolarHBondContact NZ-OD2 3.11Å; L58-D60 PolarHBondContact O-N 2.78Å; L58-D60 VanDerWaalsContact O-N 3.15Å |
| 61 | I | 89.6 | Confident | 91.5 | Very high | 62 Ų | 62 | 88.8 Ų | 88.8 | 32% | 0.318 | 44% | 0.438 | S | S | . | . | trans | -103.6 | 128.4 | -174.1 | -59.9 | 161.4 | 0 | 0 | 0 | 109.8 | F5 L58 H59 V63 | F5-I61 HydrophobicContact CE1-CD1 3.36Å; F5-I61 HydrophobicContact CE2-CD1 4.15Å; F5-I61 HydrophobicContact CZ-CD1 3.14Å; F5-I61 HydrophobicContact CZ-CG1 4.13Å; L58-I61 HydrophobicContact CB-CD1 3.97Å; L58-I61 HydrophobicContact CD2-CD1 3.42Å; L58-I61 VanDerWaalsContact CD2-CD1 3.42Å; L58-I61 HydrophobicContact CG-CD1 4.27Å; L58-I61 PolarHBondContact O-N 3.47Å; L58-I61 VanDerWaalsContact O-N 3.08Å; H59-I61 VanDerWaalsContact C-N 3.32Å; I61-V63 HydrophobicContact CG2-CG2 4.49Å | ||
| 62 | T | 90.6 | Very high | 91.5 | Very high | 130 Ų | 130 | 93.7 Ų | 93.7 | 80% | 0.798 | 46% | 0.464 | S | S | * | . | trans | -115.5 | 127.2 | 172.1 | -55.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 63 | V | 91.1 | Very high | 91.7 | Very high | 77 Ų | 77 | 94.6 Ų | 94.6 | 47% | 0.467 | 47% | 0.465 | S | S | . | . | trans | -100.2 | 122.2 | 174.6 | -177.2 | 0 | 0 | 0 | 0 | 108.1 | I61 V67 F68 | I61-V63 HydrophobicContact CG2-CG2 4.49Å; V63-V67 HydrophobicContact CG1-CB 4.29Å; V63-F68 HydrophobicContact CG1-CE2 4.24Å; V63-F68 HydrophobicContact CG1-CZ 4.28Å | ||
| 64 | P | 94.3 | Very high | 91.9 | Very high | 53 Ų | 53 | 92.5 Ų | 92.5 | 34% | 0.344 | 48% | 0.477 | S | S | . | . | trans | -59.3 | 138.5 | 175 | -21.8 | 32.5 | 0 | 0 | 0 | 111.3 | E66 V67 Y80 | P64-E66 WeakPolarHBondContact CB-OE2 3.38Å; P64-E66 PolarHBondContact O-N 3.28Å; P64-V67 HydrophobicContact CB-CG2 4.13Å; P64-V67 HydrophobicContact CG-CG2 4.31Å; P64-V67 WeakPolarHBondContact O-CB 2.83Å; P64-V67 PolarHBondContact O-N 3.5Å; P64-V67 VanDerWaalsContact O-N 3.11Å; P64-Y80 HydrophobicContact CB-CE1 4.01Å; P64-Y80 HydrophobicContact CG-CE1 4.04Å | ||
| 65 | L | 93.7 | Very high | 92.1 | Very high | 134 Ų | 134 | 98.4 Ų | 98.4 | 70% | 0.702 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.7 | -32 | -174.9 | -72 | 176.5 | 0 | 0 | 0 | 112.1 | V67 F68 | L65-V67 PolarHBondContact O-N 3.05Å; L65-V67 VanDerWaalsContact O-N 3.17Å; L65-F68 HydrophobicContact CD2-CD2 4.1Å; L65-F68 HydrophobicContact CD2-CE2 4.05Å; L65-F68 WeakPolarHBondContact O-CB 3.49Å; L65-F68 WeakPolarHBondContact O-CD2 3.17Å; L65-F68 PolarHBondContact O-N 3.14Å |
| 66 | E | 93.8 | Very high | 92.6 | Very high | 95 Ų | 95 | 93.5 Ų | 93.5 | 44% | 0.444 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.2 | -24.5 | 178.5 | -58.2 | 84.4 | 171.8 | 0 | 0 | 112.1 | P64 F68 E69 Y70 Y80 | P64-E66 WeakPolarHBondContact CB-OE2 3.38Å; P64-E66 PolarHBondContact O-N 3.28Å; E66-F68 VanDerWaalsContact C-N 3.3Å; E66-F68 PolarHBondContact O-N 3.08Å; E66-E69 PolarHBondContact O-N 3.18Å; E66-Y70 WeakPolarHBondContact O-CD2 3.33Å; E66-Y80 HydrophobicContact CB-CD2 3.99Å; E66-Y80 HydrophobicContact CB-CE2 3.48Å; E66-Y80 VanDerWaalsContact CB-CE2 3.48Å; E66-Y80 HydrophobicContact CG-CE2 4.19Å |
| 67 | V | 96.4 | Very high | 93 | Very high | 18 Ų | 18 | 88.4 Ų | 88.4 | 11% | 0.109 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -66.9 | -33.1 | 175.9 | 177.4 | 0 | 0 | 0 | 0 | 111.3 | V63 P64 L65 E69 Y70 I71 P77 Y80 | V63-V67 HydrophobicContact CG1-CB 4.29Å; P64-V67 HydrophobicContact CB-CG2 4.13Å; P64-V67 HydrophobicContact CG-CG2 4.31Å; P64-V67 WeakPolarHBondContact O-CB 2.83Å; P64-V67 PolarHBondContact O-N 3.5Å; P64-V67 VanDerWaalsContact O-N 3.11Å; L65-V67 PolarHBondContact O-N 3.05Å; L65-V67 VanDerWaalsContact O-N 3.17Å; V67-E69 VanDerWaalsContact C-N 3.25Å; V67-E69 PolarHBondContact O-N 2.89Å; V67-Y70 WeakPolarHBondContact O-CB 3.39Å; V67-Y70 PolarHBondContact O-N 3.44Å; V67-Y70 VanDerWaalsContact O-N 3.11Å; V67-I71 HydrophobicContact CG1-CD1 4.21Å; V67-I71 PolarHBondContact O-N 3.17Å; V67-P77 HydrophobicContact CG1-CB 3.86Å; V67-Y80 HydrophobicContact CG2-CD1 3.4Å; V67-Y80 HydrophobicContact CG2-CE1 3.83Å; V67-Y80 HydrophobicContact CG2-CG 3.86Å |
| 68 | F | 95.2 | Very high | 93.4 | Very high | 97 Ų | 97 | 90.7 Ų | 90.7 | 43% | 0.425 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.4 | -34.6 | 178.8 | -68 | -75.3 | 0 | 0 | 0 | 111.8 | V63 L65 E66 Y70 I71 D72 | V63-F68 HydrophobicContact CG1-CE2 4.24Å; V63-F68 HydrophobicContact CG1-CZ 4.28Å; L65-F68 HydrophobicContact CD2-CD2 4.1Å; L65-F68 HydrophobicContact CD2-CE2 4.05Å; L65-F68 WeakPolarHBondContact O-CB 3.49Å; L65-F68 WeakPolarHBondContact O-CD2 3.17Å; L65-F68 PolarHBondContact O-N 3.14Å; E66-F68 VanDerWaalsContact C-N 3.3Å; E66-F68 PolarHBondContact O-N 3.08Å; F68-Y70 VanDerWaalsContact C-N 3.25Å; F68-Y70 PolarHBondContact O-N 2.96Å; F68-I71 PolarHBondContact O-N 3.02Å; F68-I71 VanDerWaalsContact O-N 3.07Å; F68-D72 WeakPolarHBondContact O-CB 3.34Å; F68-D72 PolarHBondContact O-N 2.84Å |
| 69 | E | 94.9 | Very high | 93.8 | Very high | 120 Ų | 120 | 92.3 Ų | 92.3 | 56% | 0.561 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.8 | -34.7 | 176 | -62.7 | -176.5 | 177.5 | 0 | 0 | 112.5 | E66 V67 Q73 | E66-E69 PolarHBondContact O-N 3.18Å; V67-E69 VanDerWaalsContact C-N 3.25Å; V67-E69 PolarHBondContact O-N 2.89Å; E69-Q73 WeakPolarHBondContact O-CB 3.27Å; E69-Q73 VanDerWaalsContact O-CD 3.3Å; E69-Q73 WeakPolarHBondContact O-CG 3.31Å; E69-Q73 PolarHBondContact O-N 3.07Å; E69-Q73 PolarHBondContact O-NE2 3.24Å |
| 70 | Y | 95.7 | Very high | 94.3 | Very high | 22 Ų | 22 | 86.5 Ų | 86.5 | 9% | 0.086 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -69.1 | -42.7 | 174.8 | -71.6 | -105.5 | 0 | 0 | 0 | 110.7 | E66 V67 F68 Q73 G74 R75 L79 Y80 E83 | E66-Y70 WeakPolarHBondContact O-CD2 3.33Å; V67-Y70 WeakPolarHBondContact O-CB 3.39Å; V67-Y70 PolarHBondContact O-N 3.44Å; V67-Y70 VanDerWaalsContact O-N 3.11Å; F68-Y70 VanDerWaalsContact C-N 3.25Å; F68-Y70 PolarHBondContact O-N 2.96Å; Y70-Q73 PolarHBondContact O-N 3.25Å; Y70-G74 PolarHBondContact O-N 3.19Å; Y70-R75 HydrophobicContact CD1-CB 4.12Å; Y70-R75 WeakPolarHBondContact O-CA 3.46Å; Y70-R75 WeakPolarHBondContact O-CB 3.43Å; Y70-R75 PolarHBondContact O-N 3.06Å; Y70-L79 HydrophobicContact CD1-CB 4.04Å; Y70-L79 HydrophobicContact CE1-CB 3.74Å; Y70-Y80 AromaticContact CE2-CD2 3.92Å; Y70-Y80 HydrophobicContact CE2-CD2 3.92Å; Y70-Y80 HydrophobicContact CE2-CG 4.28Å; Y70-E83 PolarHBondContact OH-OE1 3.28Å; Y70-E83 PolarHBondContact OH-OE2 3.34Å |
| 71 | I | 95.6 | Very high | 94.6 | Very high | 89 Ų | 89 | 86.3 Ų | 86.3 | 46% | 0.456 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64 | -49.2 | 179.7 | -62 | 171.7 | 0 | 0 | 0 | 110.7 | V67 F68 Q73 G74 P77 | V67-I71 HydrophobicContact CG1-CD1 4.21Å; V67-I71 PolarHBondContact O-N 3.17Å; F68-I71 PolarHBondContact O-N 3.02Å; F68-I71 VanDerWaalsContact O-N 3.07Å; I71-Q73 PolarHBondContact O-N 3.11Å; I71-G74 WeakPolarHBondContact O-CA 3.5Å; I71-G74 PolarHBondContact O-N 2.97Å; I71-P77 HydrophobicContact CD1-CG 4.34Å; I71-P77 HydrophobicContact CG1-CG 3.71Å |
| 72 | D | 95.5 | Very high | 94.9 | Very high | 137 Ų | 137 | 88.7 Ų | 88.7 | 73% | 0.733 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -62.5 | -29.9 | -178 | -71 | -16.7 | 0 | 0 | 0 | 112.3 | F68 G74 | F68-D72 WeakPolarHBondContact O-CB 3.34Å; F68-D72 PolarHBondContact O-N 2.84Å; D72-G74 VanDerWaalsContact C-N 3.31Å |
| 73 | Q | 96.4 | Very high | 95.2 | Very high | 121 Ų | 121 | 85.5 Ų | 85.5 | 57% | 0.565 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | 0.5 | 174.8 | -66.2 | 171.1 | 25.8 | 0 | 0 | 113.4 | E69 Y70 I71 R75 | E69-Q73 WeakPolarHBondContact O-CB 3.27Å; E69-Q73 VanDerWaalsContact O-CD 3.3Å; E69-Q73 WeakPolarHBondContact O-CG 3.31Å; E69-Q73 PolarHBondContact O-N 3.07Å; E69-Q73 PolarHBondContact O-NE2 3.24Å; Y70-Q73 PolarHBondContact O-N 3.25Å; I71-Q73 PolarHBondContact O-N 3.11Å; Q73-R75 VanDerWaalsContact C-N 3.25Å; Q73-R75 HydrophobicContact CB-CG 3.92Å; Q73-R75 PolarHBondContact O-N 2.67Å |
| 74 | G | 95.3 | Very high | 95.4 | Very high | 73 Ų | 73 | 84.4 Ų | 84.4 | 75% | 0.753 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.8 | 21.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y70 I71 D72 | Y70-G74 PolarHBondContact O-N 3.19Å; I71-G74 WeakPolarHBondContact O-CA 3.5Å; I71-G74 PolarHBondContact O-N 2.97Å; D72-G74 VanDerWaalsContact C-N 3.31Å |
| 75 | R | 96.2 | Very high | 95.5 | Very high | 129 Ų | 129 | 87.5 Ų | 87.5 | 49% | 0.487 | 45% | 0.451 | S | S | . | . | trans | -90.9 | 155.9 | 177.8 | -55.7 | -179.5 | 87.2 | -172.9 | 3.3 | 110.2 | Y70 Q73 P77 | Y70-R75 HydrophobicContact CD1-CB 4.12Å; Y70-R75 WeakPolarHBondContact O-CA 3.46Å; Y70-R75 WeakPolarHBondContact O-CB 3.43Å; Y70-R75 PolarHBondContact O-N 3.06Å; Q73-R75 VanDerWaalsContact C-N 3.25Å; Q73-R75 HydrophobicContact CB-CG 3.92Å; Q73-R75 PolarHBondContact O-N 2.67Å; R75-P77 VanDerWaalsContact O-CD 3.27Å; R75-P77 WeakPolarHBondContact O-CD 3.36Å | ||
| 76 | N | 95.7 | Very high | 95.7 | Very high | 80 Ų | 80 | 85.9 Ų | 85.9 | 43% | 0.428 | 44% | 0.44 | S | S | . | . | trans | -68.3 | 120.1 | 177.1 | -178.6 | -11.2 | 0 | 0 | 0 | 110.9 | Q78 L79 | N76-Q78 PolarHBondContact O-N 3.08Å; N76-Q78 VanDerWaalsContact O-N 3.14Å; N76-Q78 WeakPolarHBondContact OD1-CB 3.44Å; N76-Q78 WeakPolarHBondContact OD1-CG 3.32Å; N76-Q78 PolarHBondContact OD1-N 3.25Å; N76-L79 HydrophobicContact CB-CD1 4.38Å; N76-L79 HydrophobicContact CB-CG 4.28Å; N76-L79 VanDerWaalsContact O-CB 3.31Å; N76-L79 WeakPolarHBondContact O-CB 3.44Å; N76-L79 WeakPolarHBondContact O-CG 3.41Å; N76-L79 PolarHBondContact O-N 3.2Å | ||
| 77 | P | 95.8 | Very high | 95.9 | Very high | 50 Ų | 50 | 87.3 Ų | 87.3 | 33% | 0.325 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -27.6 | 176.8 | -30.3 | 39.8 | 0 | 0 | 0 | 114.9 | V67 I71 R75 L79 Y80 | V67-P77 HydrophobicContact CG1-CB 3.86Å; I71-P77 HydrophobicContact CD1-CG 4.34Å; I71-P77 HydrophobicContact CG1-CG 3.71Å; R75-P77 VanDerWaalsContact O-CD 3.27Å; R75-P77 WeakPolarHBondContact O-CD 3.36Å; P77-L79 PolarHBondContact O-N 3.09Å; P77-Y80 WeakPolarHBondContact O-CB 3.39Å; P77-Y80 PolarHBondContact O-N 3.46Å; P77-Y80 VanDerWaalsContact O-N 3.08Å |
| 78 | Q | 94.5 | Very high | 96 | Very high | 141 Ų | 141 | 89.2 Ų | 89.2 | 66% | 0.659 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -64.8 | -20 | 178.5 | -64.3 | -179.6 | -16.6 | 0 | 0 | 112.9 | N76 Y80 T81 K82 | N76-Q78 PolarHBondContact O-N 3.08Å; N76-Q78 VanDerWaalsContact O-N 3.14Å; N76-Q78 WeakPolarHBondContact OD1-CB 3.44Å; N76-Q78 WeakPolarHBondContact OD1-CG 3.32Å; N76-Q78 PolarHBondContact OD1-N 3.25Å; Q78-Y80 VanDerWaalsContact C-N 3.3Å; Q78-Y80 PolarHBondContact O-N 3.49Å; Q78-T81 PolarHBondContact O-N 2.96Å; Q78-K82 PolarHBondContact O-N 2.94Å |
| 79 | L | 95.7 | Very high | 96.1 | Very high | 64 Ų | 64 | 89.5 Ų | 89.5 | 34% | 0.335 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.5 | -37.8 | 173.1 | -65.5 | 175.1 | 0 | 0 | 0 | 111.3 | Y70 N76 P77 T81 K82 E83 | Y70-L79 HydrophobicContact CD1-CB 4.04Å; Y70-L79 HydrophobicContact CE1-CB 3.74Å; N76-L79 HydrophobicContact CB-CD1 4.38Å; N76-L79 HydrophobicContact CB-CG 4.28Å; N76-L79 VanDerWaalsContact O-CB 3.31Å; N76-L79 WeakPolarHBondContact O-CB 3.44Å; N76-L79 WeakPolarHBondContact O-CG 3.41Å; N76-L79 PolarHBondContact O-N 3.2Å; P77-L79 PolarHBondContact O-N 3.09Å; L79-T81 VanDerWaalsContact C-N 3.34Å; L79-T81 PolarHBondContact O-N 3.47Å; L79-K82 PolarHBondContact O-N 3.21Å; L79-E83 WeakPolarHBondContact O-CG 3.5Å; L79-E83 PolarHBondContact O-N 2.9Å |
| 80 | Y | 95.6 | Very high | 96.3 | Very high | 39 Ų | 39 | 86.3 Ų | 86.3 | 15% | 0.153 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -58.3 | -48 | 173.3 | 173 | -100.5 | 0 | 0 | 0 | 111.2 | P64 E66 V67 Y70 P77 Q78 K82 E83 C84 | P64-Y80 HydrophobicContact CB-CE1 4.01Å; P64-Y80 HydrophobicContact CG-CE1 4.04Å; E66-Y80 HydrophobicContact CB-CD2 3.99Å; E66-Y80 HydrophobicContact CB-CE2 3.48Å; E66-Y80 VanDerWaalsContact CB-CE2 3.48Å; E66-Y80 HydrophobicContact CG-CE2 4.19Å; V67-Y80 HydrophobicContact CG2-CD1 3.4Å; V67-Y80 HydrophobicContact CG2-CE1 3.83Å; V67-Y80 HydrophobicContact CG2-CG 3.86Å; Y70-Y80 AromaticContact CE2-CD2 3.92Å; Y70-Y80 HydrophobicContact CE2-CD2 3.92Å; Y70-Y80 HydrophobicContact CE2-CG 4.28Å; P77-Y80 WeakPolarHBondContact O-CB 3.39Å; P77-Y80 PolarHBondContact O-N 3.46Å; P77-Y80 VanDerWaalsContact O-N 3.08Å; Q78-Y80 VanDerWaalsContact C-N 3.3Å; Q78-Y80 PolarHBondContact O-N 3.49Å; Y80-K82 VanDerWaalsContact C-N 3.33Å; Y80-K82 PolarHBondContact O-N 3.27Å; Y80-E83 PolarHBondContact O-N 3.26Å; Y80-C84 VanDerWaalsContact O-CB 3.31Å; Y80-C84 WeakPolarHBondContact O-CB 3.34Å; Y80-C84 PolarHBondContact O-N 2.66Å |
| 81 | T | 95.4 | Very high | 96.4 | Very high | 81 Ų | 81 | 90.8 Ų | 90.8 | 50% | 0.497 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.2 | -46.2 | 178.1 | -54.7 | 0 | 0 | 0 | 0 | 111 | Q78 L79 C84 L85 | Q78-T81 PolarHBondContact O-N 2.96Å; L79-T81 VanDerWaalsContact C-N 3.34Å; L79-T81 PolarHBondContact O-N 3.47Å; T81-C84 PolarHBondContact O-N 3.38Å; T81-L85 HydrophobicContact CG2-CD1 4.39Å; T81-L85 WeakPolarHBondContact O-CG 3.49Å; T81-L85 PolarHBondContact O-N 3.28Å |
| 82 | K | 96.3 | Very high | 96.5 | Very high | 112 Ų | 112 | 91.7 Ų | 91.7 | 49% | 0.487 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57.6 | -52.9 | 176.7 | 177.1 | -177.3 | 169.2 | -178.1 | 0 | 111.4 | Q78 L79 Y80 C84 L85 E86 | Q78-K82 PolarHBondContact O-N 2.94Å; L79-K82 PolarHBondContact O-N 3.21Å; Y80-K82 VanDerWaalsContact C-N 3.33Å; Y80-K82 PolarHBondContact O-N 3.27Å; K82-C84 VanDerWaalsContact C-N 3.28Å; K82-C84 PolarHBondContact O-N 2.75Å; K82-L85 PolarHBondContact O-N 3.41Å; K82-E86 WeakPolarHBondContact CE-OE1 3.32Å; K82-E86 IonicContact NZ-OE1 2.69Å; K82-E86 WeakPolarHBondContact O-CG 3.36Å; K82-E86 PolarHBondContact O-N 2.96Å |
| 83 | E | 95.6 | Very high | 96.7 | Very high | 63 Ų | 63 | 91.1 Ų | 91.1 | 29% | 0.294 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.3 | -35.6 | -179.2 | -69.9 | 177.3 | -154.9 | 0 | 0 | 112.3 | Y70 L79 Y80 E86 R87 | Y70-E83 PolarHBondContact OH-OE1 3.28Å; Y70-E83 PolarHBondContact OH-OE2 3.34Å; L79-E83 WeakPolarHBondContact O-CG 3.5Å; L79-E83 PolarHBondContact O-N 2.9Å; Y80-E83 PolarHBondContact O-N 3.26Å; E83-E86 PolarHBondContact O-N 3.5Å; E83-R87 WeakPolarHBondContact O-CB 3.47Å; E83-R87 VanDerWaalsContact O-CG 3.3Å; E83-R87 WeakPolarHBondContact O-CG 3.46Å; E83-R87 PolarHBondContact O-N 2.9Å; E83-R87 IonicContact OE2-NH1 2.7Å; E83-R87 PolarHBondContact OE2-NH1 3.21Å; E83-R87 VanDerWaalsContact OE2-NH1 3.08Å |
| 84 | C | 95.6 | Very high | 96.8 | Very high | 54 Ų | 54 | 90 Ų | 90 | 37% | 0.365 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 175.8 | -171.4 | 0 | 0 | 0 | 0 | 111.1 | Y80 T81 K82 R87 A88 | Y80-C84 VanDerWaalsContact O-CB 3.31Å; Y80-C84 WeakPolarHBondContact O-CB 3.34Å; Y80-C84 PolarHBondContact O-N 2.66Å; T81-C84 PolarHBondContact O-N 3.38Å; K82-C84 VanDerWaalsContact C-N 3.28Å; K82-C84 PolarHBondContact O-N 2.75Å; C84-R87 PolarHBondContact O-N 2.96Å; C84-A88 WeakPolarHBondContact O-CB 3.47Å; C84-A88 PolarHBondContact O-N 3.36Å |
| 85 | L | 97.3 | Very high | 96.9 | Very high | 118 Ų | 118 | 89.4 Ų | 89.4 | 62% | 0.618 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -63.2 | -44.1 | 175.4 | -68 | 171.4 | 0 | 0 | 0 | 111.7 | T81 K82 A88 L89 | T81-L85 HydrophobicContact CG2-CD1 4.39Å; T81-L85 WeakPolarHBondContact O-CG 3.49Å; T81-L85 PolarHBondContact O-N 3.28Å; K82-L85 PolarHBondContact O-N 3.41Å; L85-A88 PolarHBondContact O-N 3.18Å; L85-L89 WeakPolarHBondContact O-CB 3.42Å; L85-L89 PolarHBondContact O-N 2.77Å |
| 86 | E | 97.9 | Very high | 97 | Very high | 100 Ų | 100 | 89.3 Ų | 89.3 | 47% | 0.467 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.6 | -43.9 | 177.3 | -72 | 174.7 | 167.6 | 0 | 0 | 111.8 | K82 E83 A88 L89 A90 | K82-E86 WeakPolarHBondContact CE-OE1 3.32Å; K82-E86 IonicContact NZ-OE1 2.69Å; K82-E86 WeakPolarHBondContact O-CG 3.36Å; K82-E86 PolarHBondContact O-N 2.96Å; E83-E86 PolarHBondContact O-N 3.5Å; E86-A88 PolarHBondContact O-N 3.33Å; E86-L89 PolarHBondContact O-N 2.86Å; E86-A90 WeakPolarHBondContact O-CB 3.36Å; E86-A90 PolarHBondContact O-N 3.15Å |
| 87 | R | 97.3 | Very high | 97.2 | Very high | 125 Ų | 125 | 87.1 Ų | 87.1 | 47% | 0.472 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 174.3 | -76.1 | -171.2 | -62.9 | -96.5 | 2.7 | 111.8 | E83 C84 K91 | E83-R87 WeakPolarHBondContact O-CB 3.47Å; E83-R87 VanDerWaalsContact O-CG 3.3Å; E83-R87 WeakPolarHBondContact O-CG 3.46Å; E83-R87 PolarHBondContact O-N 2.9Å; E83-R87 IonicContact OE2-NH1 2.7Å; E83-R87 PolarHBondContact OE2-NH1 3.21Å; E83-R87 VanDerWaalsContact OE2-NH1 3.08Å; C84-R87 PolarHBondContact O-N 2.96Å; R87-K91 VanDerWaalsContact O-CB 3.25Å; R87-K91 WeakPolarHBondContact O-CB 3.3Å; R87-K91 PolarHBondContact O-N 3.5Å |
| 88 | A | 98.2 | Very high | 97.3 | Very high | 58 Ų | 58 | 90.8 Ų | 90.8 | 48% | 0.479 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | C84 L85 E86 K91 N92 | C84-A88 WeakPolarHBondContact O-CB 3.47Å; C84-A88 PolarHBondContact O-N 3.36Å; L85-A88 PolarHBondContact O-N 3.18Å; E86-A88 PolarHBondContact O-N 3.33Å; A88-K91 PolarHBondContact O-N 3.2Å; A88-N92 WeakPolarHBondContact O-CB 3.27Å; A88-N92 PolarHBondContact O-N 3.01Å |
| 89 | L | 98.2 | Very high | 97.5 | Very high | 103 Ų | 103 | 88 Ų | 88 | 54% | 0.539 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.4 | -53.6 | 175.8 | 178.5 | 62.9 | 0 | 0 | 0 | 111.4 | L85 E86 K91 N92 E93 | L85-L89 WeakPolarHBondContact O-CB 3.42Å; L85-L89 PolarHBondContact O-N 2.77Å; E86-L89 PolarHBondContact O-N 2.86Å; L89-K91 PolarHBondContact O-N 3.47Å; L89-N92 WeakPolarHBondContact O-CB 3.43Å; L89-N92 PolarHBondContact O-N 3.12Å; L89-E93 HydrophobicContact CD1-CG 4.49Å; L89-E93 PolarHBondContact O-N 3.42Å |
| 90 | A | 98.4 | Very high | 97.6 | Very high | 54 Ų | 54 | 88.7 Ų | 88.7 | 45% | 0.446 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -58 | -38.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E86 Q94 | E86-A90 WeakPolarHBondContact O-CB 3.36Å; E86-A90 PolarHBondContact O-N 3.15Å; A90-Q94 WeakPolarHBondContact O-CB 3.36Å; A90-Q94 PolarHBondContact O-N 3.03Å |
| 91 | K | 98.3 | Very high | 97.7 | Very high | 115 Ų | 115 | 91.5 Ų | 91.5 | 50% | 0.5 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67 | -41.1 | 176.7 | -170.9 | 59.6 | 173.8 | -173.9 | 0 | 112.2 | R87 A88 L89 Q94 V95 | R87-K91 VanDerWaalsContact O-CB 3.25Å; R87-K91 WeakPolarHBondContact O-CB 3.3Å; R87-K91 PolarHBondContact O-N 3.5Å; A88-K91 PolarHBondContact O-N 3.2Å; L89-K91 PolarHBondContact O-N 3.47Å; K91-Q94 PolarHBondContact O-N 3.06Å; K91-V95 HydrophobicContact CD-CG2 4.47Å; K91-V95 WeakPolarHBondContact O-CB 3.17Å; K91-V95 VanDerWaalsContact O-CG2 3.27Å; K91-V95 WeakPolarHBondContact O-CG2 3.42Å; K91-V95 PolarHBondContact O-N 2.96Å |
| 92 | N | 98.4 | Very high | 97.8 | Very high | 108 Ų | 108 | 93.6 Ų | 93.6 | 58% | 0.578 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.6 | -49.1 | 177.3 | -171.5 | -12.5 | 0 | 0 | 0 | 110.8 | A88 L89 Q94 V95 K96 | A88-N92 WeakPolarHBondContact O-CB 3.27Å; A88-N92 PolarHBondContact O-N 3.01Å; L89-N92 WeakPolarHBondContact O-CB 3.43Å; L89-N92 PolarHBondContact O-N 3.12Å; N92-Q94 VanDerWaalsContact C-N 3.34Å; N92-Q94 PolarHBondContact O-N 3.48Å; N92-V95 PolarHBondContact O-N 2.96Å; N92-K96 WeakPolarHBondContact O-CB 3.43Å; N92-K96 PolarHBondContact O-N 3.35Å |
| 93 | E | 98.4 | Very high | 97.8 | Very high | 126 Ų | 126 | 93.3 Ų | 93.3 | 59% | 0.589 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -59.6 | -43.8 | 176.3 | -68.2 | -179.1 | 154.8 | 0 | 0 | 112.1 | L89 V95 K96 G97 | L89-E93 HydrophobicContact CD1-CG 4.49Å; L89-E93 PolarHBondContact O-N 3.42Å; E93-V95 PolarHBondContact O-N 3.1Å; E93-K96 PolarHBondContact O-N 2.92Å; E93-G97 PolarHBondContact O-N 3.13Å |
| 94 | Q | 98.4 | Very high | 97.9 | Very high | 96 Ų | 96 | 97.3 Ų | 97.3 | 45% | 0.449 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.3 | -45.4 | 175.7 | -171.5 | -169.7 | 34.7 | 0 | 0 | 111.7 | A90 K91 N92 G97 K98 | A90-Q94 WeakPolarHBondContact O-CB 3.36Å; A90-Q94 PolarHBondContact O-N 3.03Å; K91-Q94 PolarHBondContact O-N 3.06Å; N92-Q94 VanDerWaalsContact C-N 3.34Å; N92-Q94 PolarHBondContact O-N 3.48Å; Q94-G97 PolarHBondContact O-N 3.21Å; Q94-K98 WeakPolarHBondContact O-CG 3.48Å; Q94-K98 PolarHBondContact O-N 3.32Å; Q94-K98 VanDerWaalsContact O-N 3.12Å |
| 95 | V | 98.4 | Very high | 98 | Very high | 61 Ų | 61 | 100.5 Ų | 100.5 | 37% | 0.37 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.1 | -41.7 | 179.8 | 170.2 | 0 | 0 | 0 | 0 | 110.7 | K91 N92 E93 G97 K98 I99 | K91-V95 HydrophobicContact CD-CG2 4.47Å; K91-V95 WeakPolarHBondContact O-CB 3.17Å; K91-V95 VanDerWaalsContact O-CG2 3.27Å; K91-V95 WeakPolarHBondContact O-CG2 3.42Å; K91-V95 PolarHBondContact O-N 2.96Å; N92-V95 PolarHBondContact O-N 2.96Å; E93-V95 PolarHBondContact O-N 3.1Å; V95-G97 PolarHBondContact O-N 2.91Å; V95-K98 WeakPolarHBondContact O-CB 3.44Å; V95-K98 PolarHBondContact O-N 2.77Å; V95-I99 HydrophobicContact CG1-CD1 3.96Å; V95-I99 HydrophobicContact CG1-CG1 4.48Å; V95-I99 WeakPolarHBondContact O-CG1 3.33Å; V95-I99 PolarHBondContact O-N 3.31Å |
| 96 | K | 98.3 | Very high | 97.9 | Very high | 128 Ų | 128 | 99 Ų | 99 | 56% | 0.557 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -57.7 | -48.6 | 174.4 | -174.8 | 179.5 | 178 | -177.8 | 0 | 111.5 | N92 E93 K98 I99 D100 | N92-K96 WeakPolarHBondContact O-CB 3.43Å; N92-K96 PolarHBondContact O-N 3.35Å; E93-K96 PolarHBondContact O-N 2.92Å; K96-K98 VanDerWaalsContact C-N 3.28Å; K96-K98 PolarHBondContact O-N 2.7Å; K96-I99 WeakPolarHBondContact O-CB 3.05Å; K96-I99 PolarHBondContact O-N 3.18Å; K96-I99 VanDerWaalsContact O-N 3.08Å; K96-D100 PolarHBondContact O-N 2.95Å |
| 97 | G | 98.4 | Very high | 97.7 | Very high | 33 Ų | 33 | 97.9 Ų | 97.9 | 34% | 0.34 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.3 | -36.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | E93 Q94 V95 T101 | E93-G97 PolarHBondContact O-N 3.13Å; Q94-G97 PolarHBondContact O-N 3.21Å; V95-G97 PolarHBondContact O-N 2.91Å; G97-T101 WeakPolarHBondContact O-CB 3.4Å; G97-T101 PolarHBondContact O-N 3.47Å; G97-T101 PolarHBondContact O-OG1 3.26Å |
| 98 | K | 98.4 | Very high | 97.6 | Very high | 127 Ų | 127 | 96 Ų | 96 | 55% | 0.552 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.8 | -43.6 | 173.3 | -72.5 | -179.5 | -179.6 | -172.1 | 0 | 112.2 | Q94 V95 K96 T101 M102 | Q94-K98 WeakPolarHBondContact O-CG 3.48Å; Q94-K98 PolarHBondContact O-N 3.32Å; Q94-K98 VanDerWaalsContact O-N 3.12Å; V95-K98 WeakPolarHBondContact O-CB 3.44Å; V95-K98 PolarHBondContact O-N 2.77Å; K96-K98 VanDerWaalsContact C-N 3.28Å; K96-K98 PolarHBondContact O-N 2.7Å; K98-T101 PolarHBondContact O-N 2.83Å; K98-M102 WeakPolarHBondContact O-CB 3.42Å; K98-M102 PolarHBondContact O-N 3.07Å |
| 99 | I | 98.1 | Very high | 97.5 | Very high | 84 Ų | 84 | 97 Ų | 97 | 43% | 0.431 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.2 | -47.8 | 176.7 | -69.8 | 167.4 | 0 | 0 | 0 | 110.1 | V95 K96 T101 M102 K103 | V95-I99 HydrophobicContact CG1-CD1 3.96Å; V95-I99 HydrophobicContact CG1-CG1 4.48Å; V95-I99 WeakPolarHBondContact O-CG1 3.33Å; V95-I99 PolarHBondContact O-N 3.31Å; K96-I99 WeakPolarHBondContact O-CB 3.05Å; K96-I99 PolarHBondContact O-N 3.18Å; K96-I99 VanDerWaalsContact O-N 3.08Å; I99-T101 PolarHBondContact O-N 3.1Å; I99-M102 PolarHBondContact O-N 3.22Å; I99-K103 HydrophobicContact CG2-CD 4.09Å; I99-K103 HydrophobicContact CG2-CG 4.43Å; I99-K103 WeakPolarHBondContact O-CB 3.23Å; I99-K103 WeakPolarHBondContact O-CG 3.32Å; I99-K103 PolarHBondContact O-N 3.01Å |
| 100 | D | 98 | Very high | 97.2 | Very high | 77 Ų | 77 | 94.2 Ų | 94.2 | 41% | 0.412 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.8 | -41.9 | -178.1 | -66.7 | -20.4 | 0 | 0 | 0 | 111.5 | K96 M102 K103 K104 | K96-D100 PolarHBondContact O-N 2.95Å; D100-M102 PolarHBondContact O-N 2.96Å; D100-K103 PolarHBondContact O-N 3.41Å; D100-K104 WeakPolarHBondContact O-CB 3.35Å; D100-K104 PolarHBondContact O-N 2.97Å |
| 101 | T | 98.3 | Very high | 97 | Very high | 99 Ų | 99 | 96.5 Ų | 96.5 | 61% | 0.607 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.1 | -44.4 | 174.6 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | G97 K98 I99 K104 F105 | G97-T101 WeakPolarHBondContact O-CB 3.4Å; G97-T101 PolarHBondContact O-N 3.47Å; G97-T101 PolarHBondContact O-OG1 3.26Å; K98-T101 PolarHBondContact O-N 2.83Å; I99-T101 PolarHBondContact O-N 3.1Å; T101-K104 PolarHBondContact O-N 3.4Å; T101-F105 WeakPolarHBondContact O-CB 3.27Å; T101-F105 PolarHBondContact O-N 2.81Å |
| 102 | M | 98 | Very high | 96.9 | Very high | 125 Ų | 125 | 95.4 Ų | 95.4 | 62% | 0.616 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -65.4 | -40.8 | 179 | -169.6 | 62.1 | 68.6 | 0 | 0 | 111.7 | K98 I99 D100 F105 K106 | K98-M102 WeakPolarHBondContact O-CB 3.42Å; K98-M102 PolarHBondContact O-N 3.07Å; I99-M102 PolarHBondContact O-N 3.22Å; D100-M102 PolarHBondContact O-N 2.96Å; M102-F105 PolarHBondContact O-N 3.41Å; M102-F105 HydrophobicContact SD-CD1 4.42Å; M102-K106 VanDerWaalsContact O-CB 3.3Å; M102-K106 WeakPolarHBondContact O-CB 3.45Å; M102-K106 PolarHBondContact O-N 2.83Å |
| 103 | K | 96.6 | Very high | 96.7 | Very high | 105 Ų | 105 | 93.3 Ų | 93.3 | 46% | 0.457 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.3 | -47.2 | 173.4 | -76.2 | 177.3 | 177.8 | 177.9 | 0 | 111.1 | I99 D100 K106 S107 | I99-K103 HydrophobicContact CG2-CD 4.09Å; I99-K103 HydrophobicContact CG2-CG 4.43Å; I99-K103 WeakPolarHBondContact O-CB 3.23Å; I99-K103 WeakPolarHBondContact O-CG 3.32Å; I99-K103 PolarHBondContact O-N 3.01Å; D100-K103 PolarHBondContact O-N 3.41Å; K103-K106 WeakPolarHBondContact O-CB 3.44Å; K103-K106 PolarHBondContact O-N 3.4Å; K103-S107 PolarHBondContact O-N 3.37Å; K103-S107 PolarHBondContact O-OG 3.14Å |
| 104 | K | 97.3 | Very high | 96.5 | Very high | 148 Ų | 148 | 88.7 Ų | 88.7 | 64% | 0.643 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -62.3 | -46 | 178 | -174.6 | 175.7 | -178.9 | 177.7 | 0 | 112 | D100 T101 K106 S107 L108 | D100-K104 WeakPolarHBondContact O-CB 3.35Å; D100-K104 PolarHBondContact O-N 2.97Å; T101-K104 PolarHBondContact O-N 3.4Å; K104-K106 PolarHBondContact O-N 3.4Å; K104-S107 PolarHBondContact O-N 3.12Å; K104-L108 HydrophobicContact CG-CD1 4.28Å; K104-L108 WeakPolarHBondContact O-CG 3.43Å; K104-L108 PolarHBondContact O-N 2.95Å |
| 105 | F | 97.4 | Very high | 96.2 | Very high | 121 Ų | 121 | 90.3 Ų | 90.3 | 53% | 0.531 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -58.7 | -48.1 | 176.5 | 174.8 | -107.5 | 0 | 0 | 0 | 111.5 | T101 M102 S107 L108 L109 | T101-F105 WeakPolarHBondContact O-CB 3.27Å; T101-F105 PolarHBondContact O-N 2.81Å; M102-F105 PolarHBondContact O-N 3.41Å; M102-F105 HydrophobicContact SD-CD1 4.42Å; F105-S107 VanDerWaalsContact C-N 3.32Å; F105-S107 PolarHBondContact O-N 3.01Å; F105-L108 PolarHBondContact O-N 3.48Å; F105-L109 HydrophobicContact CE1-CD2 4.08Å; F105-L109 HydrophobicContact CZ-CD2 4.22Å; F105-L109 VanDerWaalsContact O-CB 3.31Å; F105-L109 WeakPolarHBondContact O-CB 3.3Å; F105-L109 PolarHBondContact O-N 3.48Å |
| 106 | K | 94.3 | Very high | 96.2 | Very high | 86 Ų | 86 | 91.8 Ų | 91.8 | 37% | 0.374 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -54.3 | -47.4 | 175.1 | 175.4 | -167.1 | 170.6 | -172.5 | 0 | 111.5 | M102 K103 K104 L109 I110 R128 | M102-K106 VanDerWaalsContact O-CB 3.3Å; M102-K106 WeakPolarHBondContact O-CB 3.45Å; M102-K106 PolarHBondContact O-N 2.83Å; K103-K106 WeakPolarHBondContact O-CB 3.44Å; K103-K106 PolarHBondContact O-N 3.4Å; K104-K106 PolarHBondContact O-N 3.4Å; K106-L109 PolarHBondContact O-N 3.09Å; K106-I110 HydrophobicContact CG-CD1 3.9Å; K106-I110 WeakPolarHBondContact O-CB 3.4Å; K106-I110 VanDerWaalsContact O-CG1 3.28Å; K106-I110 WeakPolarHBondContact O-CG1 3.44Å; K106-I110 PolarHBondContact O-N 3.43Å; K106-R128 VanDerWaalsContact NZ-NH1 3.12Å |
| 107 | S | 94.1 | Very high | 96 | Very high | 77 Ų | 77 | 90.8 Ų | 90.8 | 54% | 0.538 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.3 | -45.9 | 179.9 | -62.5 | 0 | 0 | 0 | 0 | 112.3 | K103 K104 F105 I110 Q111 | K103-S107 PolarHBondContact O-N 3.37Å; K103-S107 PolarHBondContact O-OG 3.14Å; K104-S107 PolarHBondContact O-N 3.12Å; F105-S107 VanDerWaalsContact C-N 3.32Å; F105-S107 PolarHBondContact O-N 3.01Å; S107-I110 PolarHBondContact O-N 2.95Å; S107-Q111 PolarHBondContact O-N 3.22Å |
| 108 | L | 96.7 | Very high | 95.8 | Very high | 86 Ų | 86 | 93 Ų | 93 | 45% | 0.45 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.2 | -42.6 | 177.6 | -69.3 | 172.6 | 0 | 0 | 0 | 111.8 | K104 F105 I110 Q111 E112 | K104-L108 HydrophobicContact CG-CD1 4.28Å; K104-L108 WeakPolarHBondContact O-CG 3.43Å; K104-L108 PolarHBondContact O-N 2.95Å; F105-L108 PolarHBondContact O-N 3.48Å; L108-I110 PolarHBondContact O-N 3.21Å; L108-Q111 WeakPolarHBondContact O-CB 3.25Å; L108-Q111 PolarHBondContact O-N 3.07Å; L108-E112 PolarHBondContact O-N 2.95Å |
| 109 | L | 94.9 | Very high | 95.5 | Very high | 77 Ų | 77 | 94 Ų | 94 | 40% | 0.403 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61 | -45.6 | 176.9 | -179.2 | 62 | 0 | 0 | 0 | 111.3 | F105 K106 Q111 E112 L113 | F105-L109 HydrophobicContact CE1-CD2 4.08Å; F105-L109 HydrophobicContact CZ-CD2 4.22Å; F105-L109 VanDerWaalsContact O-CB 3.31Å; F105-L109 WeakPolarHBondContact O-CB 3.3Å; F105-L109 PolarHBondContact O-N 3.48Å; K106-L109 PolarHBondContact O-N 3.09Å; L109-Q111 VanDerWaalsContact C-N 3.28Å; L109-Q111 PolarHBondContact O-N 3.3Å; L109-E112 PolarHBondContact O-N 3.32Å; L109-L113 HydrophobicContact CD1-CD1 3.99Å; L109-L113 HydrophobicContact CD1-CG 4.04Å; L109-L113 HydrophobicContact CG-CD1 3.91Å; L109-L113 HydrophobicContact CG-CG 4.34Å; L109-L113 WeakPolarHBondContact O-CB 3.35Å; L109-L113 VanDerWaalsContact O-CG 3.25Å; L109-L113 WeakPolarHBondContact O-CG 3.43Å; L109-L113 PolarHBondContact O-N 2.8Å |
| 110 | I | 92.8 | Very high | 95.3 | Very high | 46 Ų | 46 | 94.3 Ų | 94.3 | 24% | 0.236 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -60.5 | -39.3 | 175.8 | -72.7 | 170.4 | 0 | 0 | 0 | 111.1 | K106 S107 L108 S114 M121 | K106-I110 HydrophobicContact CG-CD1 3.9Å; K106-I110 WeakPolarHBondContact O-CB 3.4Å; K106-I110 VanDerWaalsContact O-CG1 3.28Å; K106-I110 WeakPolarHBondContact O-CG1 3.44Å; K106-I110 PolarHBondContact O-N 3.43Å; S107-I110 PolarHBondContact O-N 2.95Å; L108-I110 PolarHBondContact O-N 3.21Å; I110-S114 VanDerWaalsContact O-CB 3.29Å; I110-S114 WeakPolarHBondContact O-CB 3.47Å; I110-S114 PolarHBondContact O-N 3.45Å; I110-S114 PolarHBondContact O-OG 2.92Å; I110-M121 HydrophobicContact CB-CE 4.27Å; I110-M121 HydrophobicContact CG1-CE 4.32Å; I110-M121 HydrophobicContact CG2-CE 3.78Å |
| 111 | Q | 93 | Very high | 95 | Very high | 102 Ų | 102 | 91.3 Ų | 91.3 | 48% | 0.477 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64 | -49.8 | 178.1 | -178.7 | -178.4 | -9.9 | 0 | 0 | 111.5 | S107 L108 L109 S114 K115 | S107-Q111 PolarHBondContact O-N 3.22Å; L108-Q111 WeakPolarHBondContact O-CB 3.25Å; L108-Q111 PolarHBondContact O-N 3.07Å; L109-Q111 VanDerWaalsContact C-N 3.28Å; L109-Q111 PolarHBondContact O-N 3.3Å; Q111-S114 PolarHBondContact O-N 2.99Å; Q111-K115 PolarHBondContact O-N 3.11Å |
| 112 | E | 96.4 | Very high | 94.6 | Very high | 91 Ų | 91 | 89.2 Ų | 89.2 | 43% | 0.425 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -68.1 | -42.4 | -179.9 | -66.1 | -50.3 | 128.4 | 0 | 0 | 112 | L108 L109 S114 K115 V116 | L108-E112 PolarHBondContact O-N 2.95Å; L109-E112 PolarHBondContact O-N 3.32Å; E112-S114 VanDerWaalsContact C-N 3.26Å; E112-S114 PolarHBondContact O-N 3.4Å; E112-K115 WeakPolarHBondContact O-CB 3.5Å; E112-K115 PolarHBondContact O-N 3.2Å; E112-K115 IonicContact OE1-NZ 3.34Å; E112-K115 PolarHBondContact OE1-NZ 3.43Å; E112-K115 IonicContact OE2-NZ 2.75Å; E112-K115 PolarHBondContact OE2-NZ 3.21Å; E112-V116 PolarHBondContact O-N 2.95Å |
| 113 | L | 94.8 | Very high | 94.3 | Very high | 64 Ų | 64 | 88.7 Ų | 88.7 | 34% | 0.335 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.5 | -35.1 | 174.6 | -69.4 | 177.1 | 0 | 0 | 0 | 112.1 | L109 K115 V116 F117 M121 | L109-L113 HydrophobicContact CD1-CD1 3.99Å; L109-L113 HydrophobicContact CD1-CG 4.04Å; L109-L113 HydrophobicContact CG-CD1 3.91Å; L109-L113 HydrophobicContact CG-CG 4.34Å; L109-L113 WeakPolarHBondContact O-CB 3.35Å; L109-L113 VanDerWaalsContact O-CG 3.25Å; L109-L113 WeakPolarHBondContact O-CG 3.43Å; L109-L113 PolarHBondContact O-N 2.8Å; L113-K115 PolarHBondContact O-N 3.43Å; L113-V116 PolarHBondContact O-N 3.28Å; L113-F117 HydrophobicContact CD2-CD2 4.07Å; L113-F117 HydrophobicContact CD2-CE2 4.36Å; L113-F117 CarbonylContact O-C 3.58Å; L113-F117 WeakPolarHBondContact O-CA 3.46Å; L113-F117 PolarHBondContact O-N 2.9Å; L113-M121 HydrophobicContact CB-CE 4.39Å; L113-M121 HydrophobicContact CB-CG 3.97Å; L113-M121 HydrophobicContact CB-SD 3.71Å; L113-M121 HydrophobicContact CD1-SD 4.27Å |
| 114 | S | 93.1 | Very high | 93.9 | Very high | 30 Ų | 30 | 88.3 Ų | 88.3 | 21% | 0.21 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -65.9 | -25.9 | 176.3 | -63 | 0 | 0 | 0 | 0 | 112.9 | I110 Q111 E112 R125 | I110-S114 VanDerWaalsContact O-CB 3.29Å; I110-S114 WeakPolarHBondContact O-CB 3.47Å; I110-S114 PolarHBondContact O-N 3.45Å; I110-S114 PolarHBondContact O-OG 2.92Å; Q111-S114 PolarHBondContact O-N 2.99Å; E112-S114 VanDerWaalsContact C-N 3.26Å; E112-S114 PolarHBondContact O-N 3.4Å; S114-R125 PolarHBondContact OG-NH1 3.13Å; S114-R125 VanDerWaalsContact OG-NH1 3.09Å; S114-R125 PolarHBondContact OG-NH2 3.46Å |
| 115 | K | 93.8 | Very high | 93.5 | Very high | 129 Ų | 129 | 87.2 Ų | 87.2 | 56% | 0.561 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -78.5 | -41.3 | 175.6 | -64.3 | 171.9 | -173.5 | 167.2 | 0 | 111.8 | Q111 E112 L113 | Q111-K115 PolarHBondContact O-N 3.11Å; E112-K115 WeakPolarHBondContact O-CB 3.5Å; E112-K115 PolarHBondContact O-N 3.2Å; E112-K115 IonicContact OE1-NZ 3.34Å; E112-K115 PolarHBondContact OE1-NZ 3.43Å; E112-K115 IonicContact OE2-NZ 2.75Å; E112-K115 PolarHBondContact OE2-NZ 3.21Å; L113-K115 PolarHBondContact O-N 3.43Å |
| 116 | V | 96.9 | Very high | 93 | Very high | 93 Ų | 93 | 86 Ų | 86 | 56% | 0.564 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -85.8 | -35.5 | -173.4 | -175.1 | 0 | 0 | 0 | 0 | 112.1 | E112 L113 | E112-V116 PolarHBondContact O-N 2.95Å; L113-V116 PolarHBondContact O-N 3.28Å |
| 117 | F | 95.2 | Very high | 92.7 | Very high | 107 Ų | 107 | 88.8 Ų | 88.8 | 47% | 0.469 | 46% | 0.459 | S | S | . | . | trans | -132.4 | 67.7 | -174.2 | -54.7 | -75.3 | 0 | 0 | 0 | 111.9 | L113 E119 D120 M121 | L113-F117 HydrophobicContact CD2-CD2 4.07Å; L113-F117 HydrophobicContact CD2-CE2 4.36Å; L113-F117 CarbonylContact O-C 3.58Å; L113-F117 WeakPolarHBondContact O-CA 3.46Å; L113-F117 PolarHBondContact O-N 2.9Å; F117-E119 PolarHBondContact O-N 3.43Å; F117-D120 HydrophobicContact CB-CB 4.41Å; F117-M121 WeakPolarHBondContact O-CB 3.48Å; F117-M121 WeakPolarHBondContact O-CG 3.29Å; F117-M121 PolarHBondContact O-N 3.01Å; F117-M121 VanDerWaalsContact O-N 3.07Å | ||
| 118 | P | 93 | Very high | 92 | Very high | 79 Ų | 79 | 90.5 Ų | 90.5 | 51% | 0.513 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.7 | -40.4 | -171.2 | 23.2 | -33.2 | 0 | 0 | 0 | 114 | A122 | P118-A122 PolarHBondContact O-N 3.05Å |
| 119 | E | 93.4 | Very high | 90.2 | Very high | 148 Ų | 148 | 88.2 Ų | 88.2 | 69% | 0.692 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -69.1 | -43.4 | -178.6 | -64 | -172 | 176.7 | 0 | 0 | 112.6 | F117 M121 A122 K123 | F117-E119 PolarHBondContact O-N 3.43Å; E119-M121 VanDerWaalsContact C-N 3.33Å; E119-A122 WeakPolarHBondContact O-CB 3.4Å; E119-A122 PolarHBondContact O-N 3.24Å; E119-K123 PolarHBondContact O-N 3.12Å; E119-K123 VanDerWaalsContact O-N 3.17Å |
| 120 | D | 93.1 | Very high | 88.3 | Confident | 90 Ų | 90 | 94.2 Ų | 94.2 | 48% | 0.481 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.5 | -35.7 | 178.2 | -66.2 | -33.2 | 0 | 0 | 0 | 111.3 | F117 A122 K123 Y124 | F117-D120 HydrophobicContact CB-CB 4.41Å; D120-A122 VanDerWaalsContact C-N 3.32Å; D120-A122 PolarHBondContact O-N 3.35Å; D120-K123 PolarHBondContact O-N 3.21Å; D120-K123 IonicContact OD1-NZ 2.77Å; D120-Y124 WeakPolarHBondContact O-CB 3.31Å; D120-Y124 PolarHBondContact O-N 3.32Å |
| 121 | M | 92.7 | Very high | 86.3 | Confident | 14 Ų | 14 | 98.9 Ų | 98.9 | 7% | 0.069 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -68.9 | -29.1 | 173.8 | -74.8 | -60.2 | -62.6 | 0 | 0 | 113.2 | I110 L113 F117 E119 Y124 R125 | I110-M121 HydrophobicContact CB-CE 4.27Å; I110-M121 HydrophobicContact CG1-CE 4.32Å; I110-M121 HydrophobicContact CG2-CE 3.78Å; L113-M121 HydrophobicContact CB-CE 4.39Å; L113-M121 HydrophobicContact CB-CG 3.97Å; L113-M121 HydrophobicContact CB-SD 3.71Å; L113-M121 HydrophobicContact CD1-SD 4.27Å; F117-M121 WeakPolarHBondContact O-CB 3.48Å; F117-M121 WeakPolarHBondContact O-CG 3.29Å; F117-M121 PolarHBondContact O-N 3.01Å; F117-M121 VanDerWaalsContact O-N 3.07Å; E119-M121 VanDerWaalsContact C-N 3.33Å; M121-Y124 HydrophobicContact CE-CD1 4.01Å; M121-Y124 HydrophobicContact SD-CD1 4.4Å; M121-R125 WeakPolarHBondContact O-CB 3.42Å; M121-R125 WeakPolarHBondContact O-CG 3.41Å; M121-R125 PolarHBondContact O-N 3.33Å; M121-R125 PolarHBondContact O-NE 3.02Å |
| 122 | A | 89.8 | Confident | 84.3 | Confident | 56 Ų | 56 | 101.7 Ų | 101.7 | 46% | 0.463 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.8 | -44.8 | 171 | 0 | 0 | 0 | 0 | 0 | 111.2 | P118 E119 D120 R125 S126 | P118-A122 PolarHBondContact O-N 3.05Å; E119-A122 WeakPolarHBondContact O-CB 3.4Å; E119-A122 PolarHBondContact O-N 3.24Å; D120-A122 VanDerWaalsContact C-N 3.32Å; D120-A122 PolarHBondContact O-N 3.35Å; A122-R125 PolarHBondContact O-N 2.81Å; A122-S126 PolarHBondContact O-N 3.14Å; A122-S126 PolarHBondContact O-OG 2.91Å |
| 123 | K | 91.4 | Very high | 81.8 | Confident | 114 Ų | 114 | 104.8 Ų | 104.8 | 50% | 0.496 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 174.3 | -63.8 | 170.3 | -167.6 | 158 | 0 | 112.2 | E119 D120 R125 S126 I127 | E119-K123 PolarHBondContact O-N 3.12Å; E119-K123 VanDerWaalsContact O-N 3.17Å; D120-K123 PolarHBondContact O-N 3.21Å; D120-K123 IonicContact OD1-NZ 2.77Å; K123-R125 VanDerWaalsContact C-N 3.34Å; K123-R125 PolarHBondContact O-N 3.21Å; K123-S126 WeakPolarHBondContact CA-OG 3.49Å; K123-S126 PolarHBondContact O-N 3.07Å; K123-S126 PolarHBondContact O-OG 3.11Å; K123-I127 VanDerWaalsContact O-CG1 3.31Å; K123-I127 WeakPolarHBondContact O-CG1 3.3Å; K123-I127 PolarHBondContact O-N 2.61Å; K123-I127 VanDerWaalsContact O-N 3.07Å |
| 124 | Y | 88.1 | Confident | 79.6 | Confident | 97 Ų | 97 | 106 Ų | 106 | 38% | 0.38 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -58.6 | -45.9 | 175.7 | 173 | -100.1 | 0 | 0 | 0 | 111.4 | D120 M121 S126 I127 R128 | D120-Y124 WeakPolarHBondContact O-CB 3.31Å; D120-Y124 PolarHBondContact O-N 3.32Å; M121-Y124 HydrophobicContact CE-CD1 4.01Å; M121-Y124 HydrophobicContact SD-CD1 4.4Å; Y124-S126 PolarHBondContact O-N 3.09Å; Y124-I127 PolarHBondContact O-N 2.94Å; Y124-R128 WeakPolarHBondContact O-CB 3.41Å; Y124-R128 PolarHBondContact O-N 2.78Å; Y124-R128 VanDerWaalsContact OH-CZ 3.24Å; Y124-R128 PolarHBondContact OH-NH1 3.23Å |
| 125 | R | 88 | Confident | 76.9 | Confident | 125 Ų | 125 | 113.5 Ų | 113.5 | 47% | 0.472 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -63.3 | -39.2 | 177.6 | -79.3 | -175 | -91.4 | -109.7 | -1.8 | 112.6 | S114 M121 A122 K123 G129 | S114-R125 PolarHBondContact OG-NH1 3.13Å; S114-R125 VanDerWaalsContact OG-NH1 3.09Å; S114-R125 PolarHBondContact OG-NH2 3.46Å; M121-R125 WeakPolarHBondContact O-CB 3.42Å; M121-R125 WeakPolarHBondContact O-CG 3.41Å; M121-R125 PolarHBondContact O-N 3.33Å; M121-R125 PolarHBondContact O-NE 3.02Å; A122-R125 PolarHBondContact O-N 2.81Å; K123-R125 VanDerWaalsContact C-N 3.34Å; K123-R125 PolarHBondContact O-N 3.21Å; R125-G129 PolarHBondContact O-N 2.96Å |
| 126 | S | 86.9 | Confident | 76.1 | Confident | 95 Ų | 95 | 112.7 Ų | 112.7 | 66% | 0.664 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -68.3 | -33.4 | 177.5 | 58.5 | 0 | 0 | 0 | 0 | 113.4 | A122 K123 Y124 | A122-S126 PolarHBondContact O-N 3.14Å; A122-S126 PolarHBondContact O-OG 2.91Å; K123-S126 WeakPolarHBondContact CA-OG 3.49Å; K123-S126 PolarHBondContact O-N 3.07Å; K123-S126 PolarHBondContact O-OG 3.11Å; Y124-S126 PolarHBondContact O-N 3.09Å |
| 127 | I | 88.4 | Confident | 75 | Confident | 144 Ų | 144 | 113.7 Ų | 113.7 | 74% | 0.738 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -76.2 | -38.4 | 178.7 | -65.1 | 163.7 | 0 | 0 | 0 | 111.2 | K123 Y124 G129 | K123-I127 VanDerWaalsContact O-CG1 3.31Å; K123-I127 WeakPolarHBondContact O-CG1 3.3Å; K123-I127 PolarHBondContact O-N 2.61Å; K123-I127 VanDerWaalsContact O-N 3.07Å; Y124-I127 PolarHBondContact O-N 2.94Å; I127-G129 VanDerWaalsContact C-N 3.27Å; I127-G129 PolarHBondContact O-N 3.02Å |
| 128 | R | 79.4 | Confident | 73.9 | Confident | 113 Ų | 113 | 114.1 Ų | 114.1 | 43% | 0.426 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -74.8 | -18.1 | -172.7 | -146.4 | -152.2 | -176.9 | 150 | 12.6 | 113.8 | K106 Y124 | K106-R128 VanDerWaalsContact NZ-NH1 3.12Å; Y124-R128 WeakPolarHBondContact O-CB 3.41Å; Y124-R128 PolarHBondContact O-N 2.78Å; Y124-R128 VanDerWaalsContact OH-CZ 3.24Å; Y124-R128 PolarHBondContact OH-NH1 3.23Å |
| 129 | G | 59 | Low | 72.7 | Confident | 39 Ų | 39 | 116.2 Ų | 116.2 | 40% | 0.402 | 62% | 0.615 | S | S | . | * | trans | 64.9 | 153.1 | -166.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | R125 I127 D131 | R125-G129 PolarHBondContact O-N 2.96Å; I127-G129 VanDerWaalsContact C-N 3.27Å; I127-G129 PolarHBondContact O-N 3.02Å; G129-D131 PolarHBondContact O-N 3.41Å | ||
| 130 | E | 56 | Low | 71.5 | Confident | 203 Ų | 203 | 114.2 Ų | 114.2 | 95% | 0.949 | 61% | 0.61 | S | S | * | * | trans | -69 | 59.9 | 168 | -70.9 | -172.6 | 141 | 0 | 0 | 111 | H132 | E130-H132 PolarHBondContact O-N 3.24Š| ||
| 131 | D | 49.8 | Very low | 70 | Confident | 143 Ų | 143 | 115.8 Ų | 115.8 | 77% | 0.765 | 62% | 0.619 | S | S | * | * | trans | -82.5 | 93.3 | 172.6 | -92.3 | -34.8 | 0 | 0 | 0 | 110.1 | G129 | G129-D131 PolarHBondContact O-N 3.41Š| ||
| 132 | H | 50.3 | Low | 68.4 | Low | 162 Ų | 162 | 123.1 Ų | 123.1 | 75% | 0.75 | 66% | 0.658 | S | S | * | * | trans | 60.6 | 90 | 154.7 | -132.3 | -42 | 0 | 0 | 0 | 116 | E130 P134 | E130-H132 PolarHBondContact O-N 3.24Å; H132-P134 WeakPolarHBondContact O-CD 3.49Å | ||
| 133 | L | 44 | Very low | 66.8 | Low | 155 Ų | 155 | 128.2 Ų | 128.2 | 81% | 0.812 | 67% | 0.673 | S | S | * | * | trans | -59.9 | 122.1 | 145.8 | -80.7 | 128.8 | 0 | 0 | 0 | 107.5 | S135 | L133-S135 PolarHBondContact O-N 2.77Š| ||
| 134 | P | 48.3 | Very low | 64.7 | Low | 89 Ų | 89 | 129.4 Ų | 129.4 | 58% | 0.578 | 69% | 0.688 | S | S | * | * | trans | -73.8 | 121.3 | 163.3 | 6 | 10.3 | 0 | 0 | 0 | 107.2 | H132 | H132-P134 WeakPolarHBondContact O-CD 3.49Š| ||
| 135 | S | 38 | Very low | 62.6 | Low | 188 Ų | 188 | 132.4 Ų | 132.4 | 100% | 1.315 | 72% | 0.715 | S | S | * | * | trans | -58.7 | 0 | 159.5 | -51.9 | 0 | 0 | 0 | 0 | 110.9 | L133 | L133-S135 PolarHBondContact O-N 2.77Š|
Retrieved 135 of 135 residues in 61.7 ms
(Link to these results)