| 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 | 60.3 | Low | 85.5 | Confident | 191 Ų | 191 | 77.6 Ų | 77.6 | 94% | 0.941 | 40% | 0.397 | S | S | * | . | 0 | -45.5 | 0 | -167.3 | 170.7 | 68 | 0 | 0 | 111.6 | M3 S4 L5 | M1-M3 PolarHBondContact O-N 3.44Å; M1-S4 PolarHBondContact O-N 3.09Å; M1-S4 PolarHBondContact O-OG 3.18Å; M1-L5 HydrophobicContact CG-CD1 4.37Å; M1-L5 PolarHBondContact O-N 3.01Å | |||
| 2 | E | 74.8 | Confident | 86.2 | Confident | 140 Ų | 140 | 84 Ų | 84 | 65% | 0.654 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -61 | -40.9 | -179 | -63.5 | -176.7 | 172.1 | 0 | 0 | 114 | S4 L5 R6 | E2-S4 PolarHBondContact O-N 3.21Å; E2-L5 PolarHBondContact O-N 3.28Å; E2-R6 PolarHBondContact O-N 3.03Å; E2-R6 VanDerWaalsContact O-N 3.08Å |
| 3 | M | 80 | Confident | 86.8 | Confident | 90 Ų | 90 | 78.1 Ų | 78.1 | 44% | 0.443 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64.6 | -38.3 | -178.9 | -70.3 | -59 | -65.7 | 0 | 0 | 113.8 | M1 R6 C7 L41 | M1-M3 PolarHBondContact O-N 3.44Å; M3-R6 PolarHBondContact O-N 2.89Å; M3-C7 PolarHBondContact O-N 3.08Å; M3-C7 VanDerWaalsContact O-N 3.08Å; M3-C7 PolarHBondContact O-SG 3.04Å; M3-L41 HydrophobicContact CE-CD1 3.5Å; M3-L41 VanDerWaalsContact CE-CD1 3.5Å; M3-L41 HydrophobicContact CE-CD2 4.11Å; M3-L41 HydrophobicContact CE-CG 3.64Å; M3-L41 HydrophobicContact SD-CD1 4.11Å |
| 4 | S | 83.6 | Confident | 87.2 | Confident | 64 Ų | 64 | 72.9 Ų | 72.9 | 45% | 0.448 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -67.4 | -42.2 | 178.3 | 54.7 | 0 | 0 | 0 | 0 | 111.3 | M1 E2 R6 C7 D8 | M1-S4 PolarHBondContact O-N 3.09Å; M1-S4 PolarHBondContact O-OG 3.18Å; E2-S4 PolarHBondContact O-N 3.21Å; S4-R6 PolarHBondContact O-N 3.1Å; S4-C7 WeakPolarHBondContact O-CB 3.42Å; S4-C7 PolarHBondContact O-N 2.95Å; S4-D8 PolarHBondContact O-N 3.38Å |
| 5 | L | 89.4 | Confident | 87.4 | Confident | 105 Ų | 105 | 74.7 Ų | 74.7 | 55% | 0.55 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 176.7 | -70.8 | 169.3 | 0 | 0 | 0 | 111.9 | M1 E2 D8 C9 | M1-L5 HydrophobicContact CG-CD1 4.37Å; M1-L5 PolarHBondContact O-N 3.01Å; E2-L5 PolarHBondContact O-N 3.28Å; L5-D8 PolarHBondContact O-N 2.62Å; L5-C9 WeakPolarHBondContact O-CB 3.2Å; L5-C9 PolarHBondContact O-N 2.9Å |
| 6 | R | 89.1 | Confident | 87.6 | Confident | 112 Ų | 112 | 74.6 Ų | 74.6 | 42% | 0.423 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 174.6 | -71 | -175.3 | -172.2 | 179.6 | 4.4 | 112.1 | E2 M3 S4 C9 L10 L41 | E2-R6 PolarHBondContact O-N 3.03Å; E2-R6 VanDerWaalsContact O-N 3.08Å; M3-R6 PolarHBondContact O-N 2.89Å; S4-R6 PolarHBondContact O-N 3.1Å; R6-C9 PolarHBondContact O-N 3.35Å; R6-L10 WeakPolarHBondContact O-CG 3.41Å; R6-L10 PolarHBondContact O-N 3.47Å; R6-L41 HydrophobicContact CB-CD2 3.78Å |
| 7 | C | 91.6 | Very high | 87.9 | Confident | 4 Ų | 4 | 71.6 Ų | 71.6 | 3% | 0.027 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -61.6 | -48.5 | 177.1 | -66.6 | 0 | 0 | 0 | 0 | 111.9 | M3 S4 C9 L10 V11 P40 L44 | M3-C7 PolarHBondContact O-N 3.08Å; M3-C7 VanDerWaalsContact O-N 3.08Å; M3-C7 PolarHBondContact O-SG 3.04Å; S4-C7 WeakPolarHBondContact O-CB 3.42Å; S4-C7 PolarHBondContact O-N 2.95Å; C7-C9 VanDerWaalsContact C-N 3.33Å; C7-C9 PolarHBondContact O-N 3.47Å; C7-L10 PolarHBondContact O-N 3.36Å; C7-V11 WeakPolarHBondContact O-CG2 3.42Å; C7-V11 PolarHBondContact O-N 2.93Å; C7-V11 VanDerWaalsContact O-N 3.16Å; C7-P40 VanDerWaalsContact SG-CG 3.59Å; C7-L44 HydrophobicContact CB-CD1 3.55Å |
| 8 | D | 92.1 | Very high | 88.1 | Confident | 78 Ų | 78 | 67.7 Ų | 67.7 | 42% | 0.417 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -65.3 | -39 | 180 | -65.8 | -28.4 | 0 | 0 | 0 | 111.3 | S4 L5 V11 W12 H80 | S4-D8 PolarHBondContact O-N 3.38Å; L5-D8 PolarHBondContact O-N 2.62Å; D8-V11 PolarHBondContact O-N 3.05Å; D8-W12 WeakPolarHBondContact O-CB 3.5Å; D8-W12 PolarHBondContact O-N 3.45Å; D8-H80 IonicContact OD1-CD2 2.78Å; D8-H80 IonicContact OD1-CE1 3.06Å; D8-H80 IonicContact OD1-NE2 2.74Å; D8-H80 PolarHBondContact OD1-NE2 2.86Å |
| 9 | C | 93.4 | Very high | 88.1 | Confident | 57 Ų | 57 | 71.9 Ų | 71.9 | 39% | 0.385 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.2 | -47.3 | 174.3 | -176.3 | 0 | 0 | 0 | 0 | 111.9 | L5 R6 C7 V11 W12 L13 | L5-C9 WeakPolarHBondContact O-CB 3.2Å; L5-C9 PolarHBondContact O-N 2.9Å; R6-C9 PolarHBondContact O-N 3.35Å; C7-C9 VanDerWaalsContact C-N 3.33Å; C7-C9 PolarHBondContact O-N 3.47Å; C9-V11 PolarHBondContact O-N 2.65Å; C9-W12 PolarHBondContact O-N 3.1Å; C9-L13 WeakPolarHBondContact O-CB 3.32Å; C9-L13 PolarHBondContact O-N 3.47Å |
| 10 | L | 93.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.1 | -42.2 | 179.5 | -75.5 | 170 | 0 | 0 | 0 | 112.5 | R6 C7 S14 F30 C34 L41 L44 A45 | R6-L10 WeakPolarHBondContact O-CG 3.41Å; R6-L10 PolarHBondContact O-N 3.47Å; C7-L10 PolarHBondContact O-N 3.36Å; L10-S14 PolarHBondContact O-N 3.33Å; L10-S14 VanDerWaalsContact O-N 3.14Å; L10-S14 PolarHBondContact O-OG 2.57Å; L10-F30 HydrophobicContact CD2-CE1 3.84Å; L10-F30 HydrophobicContact CD2-CZ 4.35Å; L10-C34 HydrophobicContact CD1-CB 4.12Å; L10-C34 HydrophobicContact CD2-CB 4.04Å; L10-L41 HydrophobicContact CD1-CB 4.44Å; L10-L41 HydrophobicContact CD1-CD2 3.93Å; L10-L44 HydrophobicContact CB-CB 4.17Å; L10-L44 HydrophobicContact CD1-CB 4.21Å; L10-A45 HydrophobicContact CD1-CB 4.37Å; L10-A45 HydrophobicContact CD2-CB 4.27Å |
| 11 | V | 92.8 | Very high | 88.4 | Confident | 13 Ų | 13 | 73.8 Ų | 73.8 | 8% | 0.079 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.7 | -50.6 | 175.6 | 174.6 | 0 | 0 | 0 | 0 | 109.9 | C7 D8 C9 L13 S14 E15 L44 H80 V83 | C7-V11 WeakPolarHBondContact O-CG2 3.42Å; C7-V11 PolarHBondContact O-N 2.93Å; C7-V11 VanDerWaalsContact O-N 3.16Å; D8-V11 PolarHBondContact O-N 3.05Å; C9-V11 PolarHBondContact O-N 2.65Å; V11-L13 VanDerWaalsContact C-N 3.33Å; V11-L13 PolarHBondContact O-N 3.03Å; V11-S14 PolarHBondContact O-N 3.23Å; V11-S14 PolarHBondContact O-OG 2.65Å; V11-E15 HydrophobicContact CG1-CG 4.47Å; V11-E15 PolarHBondContact O-N 3.26Å; V11-L44 HydrophobicContact CG2-CD1 4.41Å; V11-L44 HydrophobicContact CG2-CD2 4.12Å; V11-H80 HydrophobicContact CG2-CB 3.96Å; V11-V83 HydrophobicContact CG1-CG2 4.35Å |
| 12 | W | 93.4 | Very high | 89.9 | Confident | 154 Ų | 154 | 70.6 Ų | 70.6 | 58% | 0.583 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -60.7 | -40.8 | -180 | -174.1 | 79.2 | 0 | 0 | 0 | 112.8 | D8 C9 E15 N16 V17 | D8-W12 WeakPolarHBondContact O-CB 3.5Å; D8-W12 PolarHBondContact O-N 3.45Å; C9-W12 PolarHBondContact O-N 3.1Å; W12-E15 PolarHBondContact O-N 3.46Å; W12-N16 HydrophobicContact CD2-CB 4.49Å; W12-N16 WeakPolarHBondContact O-CB 2.97Å; W12-N16 PolarHBondContact O-N 2.9Å; W12-N16 PolarHBondContact O-ND2 2.63Å; W12-V17 HydrophobicContact CD2-CG2 4.14Å; W12-V17 HydrophobicContact CE3-CG2 3.49Å; W12-V17 VanDerWaalsContact CE3-CG2 3.49Å; W12-V17 HydrophobicContact CH2-CG2 3.41Å; W12-V17 VanDerWaalsContact CH2-CG2 3.41Å; W12-V17 HydrophobicContact CZ2-CG2 4.05Å; W12-V17 HydrophobicContact CZ3-CG2 3.11Å |
| 13 | L | 94.3 | Very high | 90.7 | Very high | 7 Ų | 7 | 67 Ų | 67 | 4% | 0.037 | 35% | 0.349 | C | S | . | . | I | π-helix | trans | -57 | -49.9 | 176.2 | 178.2 | 69.2 | 0 | 0 | 0 | 110.9 | C9 V11 V17 L18 F27 F30 V31 | C9-L13 WeakPolarHBondContact O-CB 3.32Å; C9-L13 PolarHBondContact O-N 3.47Å; V11-L13 VanDerWaalsContact C-N 3.33Å; V11-L13 PolarHBondContact O-N 3.03Å; L13-V17 HydrophobicContact CD1-CB 3.98Å; L13-V17 HydrophobicContact CD1-CG1 4.01Å; L13-V17 WeakPolarHBondContact O-CB 3.13Å; L13-V17 PolarHBondContact O-N 2.82Å; L13-V17 VanDerWaalsContact O-N 3.16Å; L13-L18 HydrophobicContact CD1-CD2 4.05Å; L13-L18 HydrophobicContact CD1-CG 4.02Å; L13-L18 HydrophobicContact CG-CD1 4.06Å; L13-L18 HydrophobicContact CG-CD2 4.33Å; L13-L18 HydrophobicContact CG-CG 3.92Å; L13-L18 PolarHBondContact O-N 2.76Å; L13-F27 HydrophobicContact CD1-CD1 3.65Å; L13-F27 HydrophobicContact CD1-CE1 3.89Å; L13-F27 HydrophobicContact CD1-CG 3.99Å; L13-F27 HydrophobicContact CD1-CZ 4.43Å; L13-F30 HydrophobicContact CD2-CD1 4.02Å; L13-F30 HydrophobicContact CD2-CE1 3.95Å; L13-V31 HydrophobicContact CD2-CG2 3.75Å |
| 14 | S | 92.1 | Very high | 91.4 | Very high | 5 Ų | 5 | 63.4 Ų | 63.4 | 4% | 0.035 | 33% | 0.332 | C | S | . | . | I | π-helix | trans | -69.2 | -36.4 | -178.8 | 73.1 | 0 | 0 | 0 | 0 | 113.7 | L10 V11 I51 | L10-S14 PolarHBondContact O-N 3.33Å; L10-S14 VanDerWaalsContact O-N 3.14Å; L10-S14 PolarHBondContact O-OG 2.57Å; V11-S14 PolarHBondContact O-N 3.23Å; V11-S14 PolarHBondContact O-OG 2.65Å; S14-I51 WeakPolarHBondContact O-CD1 3.1Å |
| 15 | E | 89.8 | Confident | 91.9 | Very high | 100 Ų | 100 | 64.7 Ų | 64.7 | 47% | 0.467 | 33% | 0.332 | S | S | . | . | I | π-helix | trans | -83.8 | -38 | -175.5 | -70.4 | -177.7 | 169.4 | 0 | 0 | 112.7 | V11 W12 | V11-E15 HydrophobicContact CG1-CG 4.47Å; V11-E15 PolarHBondContact O-N 3.26Å; W12-E15 PolarHBondContact O-N 3.46Å |
| 16 | N | 91.4 | Very high | 92.1 | Very high | 74 Ų | 74 | 66.5 Ų | 66.5 | 40% | 0.396 | 34% | 0.342 | S | S | . | . | I | π-helix | trans | -118.2 | -26.7 | -165.8 | -58 | -79.9 | 0 | 0 | 0 | 114.5 | W12 N20 | W12-N16 HydrophobicContact CD2-CB 4.49Å; W12-N16 WeakPolarHBondContact O-CB 2.97Å; W12-N16 PolarHBondContact O-N 2.9Å; W12-N16 PolarHBondContact O-ND2 2.63Å; N16-N20 PolarHBondContact O-ND2 3.07Å |
| 17 | V | 93 | Very high | 92.3 | Very high | 24 Ų | 24 | 64.3 Ų | 64.3 | 15% | 0.145 | 34% | 0.335 | C | S | . | . | I | π-helix | trans | -102.9 | -58.1 | -170.8 | -179 | 0 | 0 | 0 | 0 | 111.5 | W12 L13 R19 N20 V21 F27 | W12-V17 HydrophobicContact CD2-CG2 4.14Å; W12-V17 HydrophobicContact CE3-CG2 3.49Å; W12-V17 VanDerWaalsContact CE3-CG2 3.49Å; W12-V17 HydrophobicContact CH2-CG2 3.41Å; W12-V17 VanDerWaalsContact CH2-CG2 3.41Å; W12-V17 HydrophobicContact CZ2-CG2 4.05Å; W12-V17 HydrophobicContact CZ3-CG2 3.11Å; L13-V17 HydrophobicContact CD1-CB 3.98Å; L13-V17 HydrophobicContact CD1-CG1 4.01Å; L13-V17 WeakPolarHBondContact O-CB 3.13Å; L13-V17 PolarHBondContact O-N 2.82Å; L13-V17 VanDerWaalsContact O-N 3.16Å; V17-R19 PolarHBondContact O-N 3.11Å; V17-R19 VanDerWaalsContact O-N 3.12Å; V17-N20 PolarHBondContact O-N 3.33Å; V17-V21 PolarHBondContact O-N 3.17Å; V17-F27 HydrophobicContact CG1-CE2 4.08Å; V17-F27 HydrophobicContact CG1-CZ 3.88Å |
| 18 | L | 91.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -32 | -170.3 | -68.7 | 177.4 | 0 | 0 | 0 | 112.6 | L13 N20 P24 F27 S48 I51 Q55 | L13-L18 HydrophobicContact CD1-CD2 4.05Å; L13-L18 HydrophobicContact CD1-CG 4.02Å; L13-L18 HydrophobicContact CG-CD1 4.06Å; L13-L18 HydrophobicContact CG-CD2 4.33Å; L13-L18 HydrophobicContact CG-CG 3.92Å; L13-L18 PolarHBondContact O-N 2.76Å; L18-N20 VanDerWaalsContact C-N 3.32Å; L18-N20 PolarHBondContact O-N 3.37Å; L18-P24 HydrophobicContact CD2-CB 4.06Å; L18-F27 HydrophobicContact CD2-CB 3.8Å; L18-F27 HydrophobicContact CD2-CD2 3.63Å; L18-F27 HydrophobicContact CD2-CE2 4.47Å; L18-F27 HydrophobicContact CD2-CG 3.88Å; L18-S48 VanDerWaalsContact CD1-CB 3.48Å; L18-I51 HydrophobicContact CB-CD1 4.34Å; L18-I51 HydrophobicContact CB-CG2 3.79Å; L18-I51 HydrophobicContact CD1-CB 4.44Å; L18-I51 HydrophobicContact CD1-CD1 4.49Å; L18-I51 HydrophobicContact CD1-CG2 4.49Å; L18-Q55 PolarHBondContact O-OE1 3.29Å |
| 19 | R | 87.7 | Confident | 92.6 | Very high | 148 Ų | 148 | 66.7 Ų | 66.7 | 56% | 0.558 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -21.7 | 178.3 | -63.3 | 179.3 | -173.5 | -103.4 | -0.7 | 113.9 | V17 I51 | V17-R19 PolarHBondContact O-N 3.11Å; V17-R19 VanDerWaalsContact O-N 3.12Å; R19-I51 HydrophobicContact CG-CD1 4.27Å |
| 20 | N | 89.8 | Confident | 92.6 | Very high | 131 Ų | 131 | 68 Ų | 68 | 70% | 0.701 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.5 | -15.6 | -169.4 | -65.6 | -35 | 0 | 0 | 0 | 113.5 | N16 V17 L18 | N16-N20 PolarHBondContact O-ND2 3.07Å; V17-N20 PolarHBondContact O-N 3.33Å; L18-N20 VanDerWaalsContact C-N 3.32Å; L18-N20 PolarHBondContact O-N 3.37Å |
| 21 | V | 92.3 | Very high | 92.6 | Very high | 53 Ų | 53 | 68 Ų | 68 | 32% | 0.321 | 35% | 0.348 | S | S | . | . | trans | -81.6 | 143.9 | -178.6 | 70.1 | 0 | 0 | 0 | 0 | 111.6 | V17 S23 P24 F27 | V17-V21 PolarHBondContact O-N 3.17Å; V21-S23 VanDerWaalsContact C-N 3.28Å; V21-S23 PolarHBondContact O-N 3.5Å; V21-P24 HydrophobicContact CG1-CB 3.83Å; V21-P24 HydrophobicContact CG1-CG 4.23Å; V21-F27 HydrophobicContact CG1-CE2 4.18Å; V21-F27 HydrophobicContact CG2-CE2 4.35Å | ||
| 22 | S | 91.8 | Very high | 92.7 | Very high | 124 Ų | 124 | 68.6 Ų | 68.6 | 87% | 0.867 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -66.7 | -27.3 | 179.3 | -46.7 | 0 | 0 | 0 | 0 | 113.7 | ||
| 23 | S | 92.2 | Very high | 92.7 | Very high | 64 Ų | 64 | 65.9 Ų | 65.9 | 45% | 0.448 | 35% | 0.349 | S | S | . | . | trans | -135.1 | 75 | -176.2 | -56.6 | 0 | 0 | 0 | 0 | 111.4 | V21 M25 L26 | V21-S23 VanDerWaalsContact C-N 3.28Å; V21-S23 PolarHBondContact O-N 3.5Å; S23-M25 PolarHBondContact O-N 3.33Å; S23-L26 PolarHBondContact O-N 3.25Å | ||
| 24 | P | 93.7 | Very high | 92.7 | Very high | 14 Ų | 14 | 65.9 Ų | 65.9 | 9% | 0.091 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -64.1 | -22.9 | -177.4 | 9 | -10.7 | 0 | 0 | 0 | 113.4 | L18 V21 L26 F27 L52 | L18-P24 HydrophobicContact CD2-CB 4.06Å; V21-P24 HydrophobicContact CG1-CB 3.83Å; V21-P24 HydrophobicContact CG1-CG 4.23Å; P24-L26 PolarHBondContact O-N 2.95Å; P24-L26 VanDerWaalsContact O-N 3.12Å; P24-F27 PolarHBondContact O-N 3.26Å; P24-L52 HydrophobicContact CB-CD2 4.15Å; P24-L52 WeakPolarHBondContact O-CD2 3.38Å |
| 25 | M | 93.7 | Very high | 92.8 | Very high | 91 Ų | 91 | 65.8 Ų | 65.8 | 45% | 0.448 | 35% | 0.349 | S | S | . | . | G | 310 helix | trans | -57.4 | -25.2 | 176.8 | -168 | 63.2 | 86 | 0 | 0 | 113.7 | S23 F27 A28 C56 | S23-M25 PolarHBondContact O-N 3.33Å; M25-F27 PolarHBondContact O-N 2.91Å; M25-F27 VanDerWaalsContact O-N 3.11Å; M25-A28 WeakPolarHBondContact O-CB 3.4Å; M25-A28 PolarHBondContact O-N 3.38Å; M25-A28 HydrophobicContact SD-CB 3.77Å; M25-C56 HydrophobicContact CE-CB 3.53Å; M25-C56 HydrophobicContact SD-CB 4.47Å |
| 26 | L | 93.9 | Very high | 92.9 | Very high | 144 Ų | 144 | 67.8 Ų | 67.8 | 75% | 0.754 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -61.6 | -20.3 | 176.8 | -66.4 | 174.9 | 0 | 0 | 0 | 113.3 | S23 P24 | S23-L26 PolarHBondContact O-N 3.25Å; P24-L26 PolarHBondContact O-N 2.95Å; P24-L26 VanDerWaalsContact O-N 3.12Å |
| 27 | F | 94.2 | Very high | 92.9 | Very high | 65 Ų | 65 | 67.9 Ų | 67.9 | 29% | 0.285 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -93.6 | -2.1 | 177 | -61 | -83.8 | 0 | 0 | 0 | 113 | L13 V17 L18 V21 P24 M25 D29 F30 V31 | L13-F27 HydrophobicContact CD1-CD1 3.65Å; L13-F27 HydrophobicContact CD1-CE1 3.89Å; L13-F27 HydrophobicContact CD1-CG 3.99Å; L13-F27 HydrophobicContact CD1-CZ 4.43Å; V17-F27 HydrophobicContact CG1-CE2 4.08Å; V17-F27 HydrophobicContact CG1-CZ 3.88Å; L18-F27 HydrophobicContact CD2-CB 3.8Å; L18-F27 HydrophobicContact CD2-CD2 3.63Å; L18-F27 HydrophobicContact CD2-CE2 4.47Å; L18-F27 HydrophobicContact CD2-CG 3.88Å; V21-F27 HydrophobicContact CG1-CE2 4.18Å; V21-F27 HydrophobicContact CG2-CE2 4.35Å; P24-F27 PolarHBondContact O-N 3.26Å; M25-F27 PolarHBondContact O-N 2.91Å; M25-F27 VanDerWaalsContact O-N 3.11Å; F27-D29 PolarHBondContact O-N 3.43Å; F27-F30 PolarHBondContact O-N 3.04Å; F27-V31 HydrophobicContact CB-CG2 4.41Å; F27-V31 WeakPolarHBondContact O-CB 3.39Å; F27-V31 VanDerWaalsContact O-CG2 3.22Å; F27-V31 WeakPolarHBondContact O-CG2 3.42Å; F27-V31 PolarHBondContact O-N 3.43Å |
| 28 | A | 94.4 | Very high | 92.8 | Very high | 9 Ų | 9 | 74.7 Ų | 74.7 | 7% | 0.074 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -58 | -52.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | M25 F30 V31 T32 L52 M58 | M25-A28 WeakPolarHBondContact O-CB 3.4Å; M25-A28 PolarHBondContact O-N 3.38Å; M25-A28 HydrophobicContact SD-CB 3.77Å; A28-F30 VanDerWaalsContact C-N 3.34Å; A28-F30 PolarHBondContact O-N 3.12Å; A28-V31 PolarHBondContact O-N 2.95Å; A28-V31 VanDerWaalsContact O-N 3.08Å; A28-T32 WeakPolarHBondContact O-CG2 3.42Å; A28-T32 PolarHBondContact O-N 3.15Å; A28-T32 PolarHBondContact O-OG1 2.98Å; A28-T32 VanDerWaalsContact O-OG1 3.04Å; A28-L52 HydrophobicContact CB-CD1 4.29Å; A28-M58 HydrophobicContact CB-SD 4.14Å |
| 29 | D | 94.9 | Very high | 92.7 | Very high | 123 Ų | 123 | 76.7 Ų | 76.7 | 66% | 0.658 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -56.7 | -47.5 | -178.8 | -62.6 | -14.9 | 0 | 0 | 0 | 111.6 | F27 V31 T32 D33 | F27-D29 PolarHBondContact O-N 3.43Å; D29-V31 VanDerWaalsContact C-N 3.34Å; D29-V31 PolarHBondContact O-N 3.38Å; D29-T32 WeakPolarHBondContact CA-OG1 3.4Å; D29-T32 PolarHBondContact O-N 3.3Å; D29-T32 PolarHBondContact O-OG1 3.14Å; D29-D33 WeakPolarHBondContact O-CB 3.36Å; D29-D33 PolarHBondContact O-N 3.35Å |
| 30 | F | 93.9 | Very high | 92.9 | Very high | 84 Ų | 84 | 70.9 Ų | 70.9 | 37% | 0.368 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60 | -43.5 | 177 | 171.4 | -103.1 | 0 | 0 | 0 | 112.5 | L10 L13 F27 A28 C34 | L10-F30 HydrophobicContact CD2-CE1 3.84Å; L10-F30 HydrophobicContact CD2-CZ 4.35Å; L13-F30 HydrophobicContact CD2-CD1 4.02Å; L13-F30 HydrophobicContact CD2-CE1 3.95Å; F27-F30 PolarHBondContact O-N 3.04Å; A28-F30 VanDerWaalsContact C-N 3.34Å; A28-F30 PolarHBondContact O-N 3.12Å; F30-C34 WeakPolarHBondContact O-CB 3.4Å; F30-C34 PolarHBondContact O-N 3.31Å; F30-C34 PolarHBondContact O-SG 3.21Å |
| 31 | V | 94.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -70 | -41.5 | -179.1 | 174.7 | 0 | 0 | 0 | 0 | 110.5 | L13 F27 A28 D29 C34 F35 A45 S48 I49 L52 | L13-V31 HydrophobicContact CD2-CG2 3.75Å; F27-V31 HydrophobicContact CB-CG2 4.41Å; F27-V31 WeakPolarHBondContact O-CB 3.39Å; F27-V31 VanDerWaalsContact O-CG2 3.22Å; F27-V31 WeakPolarHBondContact O-CG2 3.42Å; F27-V31 PolarHBondContact O-N 3.43Å; A28-V31 PolarHBondContact O-N 2.95Å; A28-V31 VanDerWaalsContact O-N 3.08Å; D29-V31 VanDerWaalsContact C-N 3.34Å; D29-V31 PolarHBondContact O-N 3.38Å; V31-C34 PolarHBondContact O-N 3.35Å; V31-F35 WeakPolarHBondContact O-CB 3.26Å; V31-F35 PolarHBondContact O-N 3.02Å; V31-A45 HydrophobicContact CG1-CB 4.43Å; V31-S48 VanDerWaalsContact CG1-CB 3.47Å; V31-I49 HydrophobicContact CG1-CD1 3.52Å; V31-I49 HydrophobicContact CG1-CG1 3.66Å; V31-L52 HydrophobicContact CB-CD1 4.04Å; V31-L52 HydrophobicContact CG1-CD1 4.13Å; V31-L52 HydrophobicContact CG2-CD1 4.23Å |
| 32 | T | 93.9 | Very high | 93.2 | Very high | 27 Ų | 27 | 63 Ų | 63 | 17% | 0.166 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66 | -40 | 177.6 | 50.8 | 0 | 0 | 0 | 0 | 111.6 | A28 D29 C34 F35 Q36 I49 Y60 | A28-T32 WeakPolarHBondContact O-CG2 3.42Å; A28-T32 PolarHBondContact O-N 3.15Å; A28-T32 PolarHBondContact O-OG1 2.98Å; A28-T32 VanDerWaalsContact O-OG1 3.04Å; D29-T32 WeakPolarHBondContact CA-OG1 3.4Å; D29-T32 PolarHBondContact O-N 3.3Å; D29-T32 PolarHBondContact O-OG1 3.14Å; T32-C34 VanDerWaalsContact C-N 3.35Å; T32-C34 PolarHBondContact O-N 3.46Å; T32-F35 WeakPolarHBondContact O-CB 3.35Å; T32-F35 PolarHBondContact O-N 3.26Å; T32-F35 VanDerWaalsContact O-N 3.12Å; T32-Q36 WeakPolarHBondContact O-CG 3.03Å; T32-Q36 PolarHBondContact O-N 3.41Å; T32-I49 HydrophobicContact CG2-CD1 4.09Å; T32-Y60 HydrophobicContact CG2-CD2 4.18Å; T32-Y60 HydrophobicContact CG2-CE2 3.99Å |
| 33 | D | 93.8 | Very high | 93.3 | Very high | 96 Ų | 96 | 57.1 Ų | 57.1 | 51% | 0.513 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.3 | -45.6 | 174.4 | -72.1 | -8.6 | 0 | 0 | 0 | 110.6 | D29 F35 Q36 L37 | D29-D33 WeakPolarHBondContact O-CB 3.36Å; D29-D33 PolarHBondContact O-N 3.35Å; D33-F35 VanDerWaalsContact C-N 3.25Å; D33-F35 PolarHBondContact O-N 2.94Å; D33-Q36 PolarHBondContact O-N 3Å; D33-L37 WeakPolarHBondContact O-CG 3.39Å |
| 34 | C | 93.6 | Very high | 93.4 | Very high | 7 Ų | 7 | 54.1 Ų | 54.1 | 5% | 0.047 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64 | -31.7 | 175.5 | -70.1 | 0 | 0 | 0 | 0 | 112.9 | L10 F30 V31 T32 L37 A45 | L10-C34 HydrophobicContact CD1-CB 4.12Å; L10-C34 HydrophobicContact CD2-CB 4.04Å; F30-C34 WeakPolarHBondContact O-CB 3.4Å; F30-C34 PolarHBondContact O-N 3.31Å; F30-C34 PolarHBondContact O-SG 3.21Å; V31-C34 PolarHBondContact O-N 3.35Å; T32-C34 VanDerWaalsContact C-N 3.35Å; T32-C34 PolarHBondContact O-N 3.46Å; C34-L37 PolarHBondContact O-N 2.84Å; C34-A45 HydrophobicContact CB-CB 4.03Å |
| 35 | F | 94 | Very high | 93.4 | Very high | 4 Ų | 4 | 53.4 Ų | 53.4 | 2% | 0.018 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -73.4 | -29.6 | 179.7 | -166.5 | -93.6 | 0 | 0 | 0 | 112.9 | V31 T32 D33 L37 N42 A45 L46 I49 Y60 L63 E66 V67 M70 | V31-F35 WeakPolarHBondContact O-CB 3.26Å; V31-F35 PolarHBondContact O-N 3.02Å; T32-F35 WeakPolarHBondContact O-CB 3.35Å; T32-F35 PolarHBondContact O-N 3.26Å; T32-F35 VanDerWaalsContact O-N 3.12Å; D33-F35 VanDerWaalsContact C-N 3.25Å; D33-F35 PolarHBondContact O-N 2.94Å; F35-L37 VanDerWaalsContact C-N 3.29Å; F35-N42 WeakPolarHBondContact CD2-O 3.31Å; F35-N42 VanDerWaalsContact O-CB 3.24Å; F35-N42 WeakPolarHBondContact O-CB 3.44Å; F35-A45 HydrophobicContact CB-CB 4.11Å; F35-A45 HydrophobicContact CD2-CB 4.11Å; F35-L46 HydrophobicContact CE2-CB 4.2Å; F35-L46 HydrophobicContact CE2-CD1 3.87Å; F35-L46 HydrophobicContact CZ-CD1 4.37Å; F35-I49 HydrophobicContact CB-CD1 4.42Å; F35-I49 HydrophobicContact CB-CG1 4.31Å; F35-I49 HydrophobicContact CD2-CG1 3.74Å; F35-I49 HydrophobicContact CE2-CG1 4.24Å; F35-I49 HydrophobicContact CG-CG1 4.08Å; F35-Y60 AromaticContact CD1-CE1 3.95Å; F35-Y60 HydrophobicContact CD1-CE1 3.95Å; F35-Y60 HydrophobicContact CD1-CE2 4.08Å; F35-Y60 AromaticContact CD1-CZ 3.49Å; F35-Y60 VanDerWaalsContact CD1-CZ 3.49Å; F35-Y60 VanDerWaalsContact CD1-OH 3.27Å; F35-Y60 WeakPolarHBondContact CD1-OH 3.4Å; F35-Y60 HydrophobicContact CE1-CD1 4.45Å; F35-Y60 AromaticContact CE1-CE1 3.69Å; F35-Y60 HydrophobicContact CE1-CE1 3.69Å; F35-Y60 AromaticContact CE1-CZ 3.76Å; F35-L63 HydrophobicContact CE1-CD1 4.44Å; F35-L63 HydrophobicContact CZ-CD1 3.88Å; F35-E66 HydrophobicContact CE1-CB 3.82Å; F35-E66 HydrophobicContact CE1-CG 4.2Å; F35-E66 HydrophobicContact CZ-CB 4.14Å; F35-V67 HydrophobicContact CZ-CG2 4.34Å; F35-M70 HydrophobicContact CD1-CE 4.36Å; F35-M70 HydrophobicContact CD2-CE 4.1Å; F35-M70 HydrophobicContact CE1-CE 3.71Å; F35-M70 HydrophobicContact CE2-CE 3.39Å; F35-M70 HydrophobicContact CE2-SD 4.25Å; F35-M70 HydrophobicContact CZ-CE 3.18Å; F35-M70 HydrophobicContact CZ-SD 4.35Å |
| 36 | Q | 92.6 | Very high | 93.5 | Very high | 141 Ų | 141 | 49.1 Ų | 49.1 | 66% | 0.659 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -76.6 | -14.4 | 175.7 | -70.4 | 176.2 | 1.1 | 0 | 0 | 113.6 | T32 D33 | T32-Q36 WeakPolarHBondContact O-CG 3.03Å; T32-Q36 PolarHBondContact O-N 3.41Å; D33-Q36 PolarHBondContact O-N 3Å |
| 37 | L | 92.6 | Very high | 93.4 | Very high | 76 Ų | 76 | 42.3 Ų | 42.3 | 40% | 0.398 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -76.2 | 169.4 | 175.3 | -62.8 | 174.7 | 0 | 0 | 0 | 111.7 | D33 C34 F35 L41 N42 | D33-L37 WeakPolarHBondContact O-CG 3.39Å; C34-L37 PolarHBondContact O-N 2.84Å; F35-L37 VanDerWaalsContact C-N 3.29Å; L37-L41 HydrophobicContact CB-CB 4.3Å; L37-L41 HydrophobicContact CB-CD1 4.21Å; L37-L41 HydrophobicContact CD1-CD1 3.51Å; L37-N42 VanDerWaalsContact O-CB 3.24Å; L37-N42 WeakPolarHBondContact O-CB 3.41Å; L37-N42 PolarHBondContact O-ND2 3.3Å |
| 38 | E | 90.6 | Very high | 93.5 | Very high | 168 Ų | 168 | 39.2 Ų | 39.2 | 79% | 0.785 | 20% | 0.199 | S | C | * | . | trans | -78.2 | 174.8 | 177.7 | -63.6 | -174.5 | 171.2 | 0 | 0 | 113 | L41 | E38-L41 PolarHBondContact O-N 3.14Å; E38-L41 VanDerWaalsContact O-N 3.07Å | ||
| 39 | H | 89.3 | Confident | 93.5 | Very high | 41 Ų | 41 | 38.8 Ų | 38.8 | 19% | 0.19 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 139.6 | 173.2 | -84.1 | -89.8 | 0 | 0 | 0 | 111.5 | N42 M70 H72 | H39-N42 WeakPolarHBondContact CA-OD1 3.41Å; H39-N42 PolarHBondContact N-OD1 3.36Å; H39-M70 PolarHBondContact CE1-O 3.35Å; H39-M70 VanDerWaalsContact CE1-O 3.27Å; H39-M70 WeakPolarHBondContact NE2-CA 3.36Å; H39-M70 WeakPolarHBondContact NE2-CB 3.43Å; H39-M70 PolarHBondContact NE2-O 3.23Å; H39-M70 VanDerWaalsContact NE2-O 3.1Å; H39-H72 AromaticContact CD2-CD2 3.62Å; H39-H72 AromaticContact CD2-NE2 2.9Å; H39-H72 PolarHBondContact CD2-NE2 3.46Å; H39-H72 AromaticContact CG-NE2 3.59Å; H39-H72 AromaticContact NE2-CD2 3.53Å; H39-H72 AromaticContact NE2-NE2 3.34Å; H39-H72 PolarHBondContact NE2-NE2 3.39Å |
| 40 | P | 92.5 | Very high | 93.3 | Very high | 26 Ų | 26 | 33.7 Ų | 33.7 | 17% | 0.169 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -93.1 | -0.9 | 9.7 | 38.6 | -40.3 | 0 | 0 | 0 | 114.8 | C7 L44 M78 P79 | C7-P40 VanDerWaalsContact SG-CG 3.59Å; P40-L44 WeakPolarHBondContact O-CG 3.17Å; P40-L44 PolarHBondContact O-N 3.12Å; P40-M78 HydrophobicContact CB-CG 3.56Å; P40-M78 HydrophobicContact CB-SD 4.09Å; P40-P79 HydrophobicContact CB-CG 3.97Å; P40-P79 HydrophobicContact CG-CG 3.99Å |
| 41 | L | 93.3 | Very high | 93.3 | Very high | 3 Ų | 3 | 30.1 Ų | 30.1 | 2% | 0.016 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68.8 | -44.3 | -166.4 | -67.4 | 177 | 0 | 0 | 0 | 112.3 | M3 R6 L10 L37 E38 A43 L44 A45 | M3-L41 HydrophobicContact CE-CD1 3.5Å; M3-L41 VanDerWaalsContact CE-CD1 3.5Å; M3-L41 HydrophobicContact CE-CD2 4.11Å; M3-L41 HydrophobicContact CE-CG 3.64Å; M3-L41 HydrophobicContact SD-CD1 4.11Å; R6-L41 HydrophobicContact CB-CD2 3.78Å; L10-L41 HydrophobicContact CD1-CB 4.44Å; L10-L41 HydrophobicContact CD1-CD2 3.93Å; L37-L41 HydrophobicContact CB-CB 4.3Å; L37-L41 HydrophobicContact CB-CD1 4.21Å; L37-L41 HydrophobicContact CD1-CD1 3.51Å; E38-L41 PolarHBondContact O-N 3.14Å; E38-L41 VanDerWaalsContact O-N 3.07Å; L41-A43 PolarHBondContact O-N 3.17Å; L41-L44 PolarHBondContact O-N 3.14Å; L41-A45 WeakPolarHBondContact O-CB 3.49Å; L41-A45 PolarHBondContact O-N 2.82Å |
| 42 | N | 93.4 | Very high | 93.3 | Very high | 16 Ų | 16 | 30.1 Ų | 30.1 | 9% | 0.086 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.3 | -44.8 | 178.1 | 58 | -1 | 0 | 0 | 0 | 113.7 | F35 L37 H39 L44 A45 L46 M70 | F35-N42 WeakPolarHBondContact CD2-O 3.31Å; F35-N42 VanDerWaalsContact O-CB 3.24Å; F35-N42 WeakPolarHBondContact O-CB 3.44Å; L37-N42 VanDerWaalsContact O-CB 3.24Å; L37-N42 WeakPolarHBondContact O-CB 3.41Å; L37-N42 PolarHBondContact O-ND2 3.3Å; H39-N42 WeakPolarHBondContact CA-OD1 3.41Å; H39-N42 PolarHBondContact N-OD1 3.36Å; N42-L44 VanDerWaalsContact C-N 3.3Å; N42-L44 PolarHBondContact O-N 3.17Å; N42-A45 PolarHBondContact O-N 3.04Å; N42-L46 PolarHBondContact O-N 3.31Å; N42-M70 HydrophobicContact CB-CE 3.68Å; N42-M70 HydrophobicContact CB-SD 4.32Å |
| 43 | A | 94.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.6 | -36.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L41 L46 M78 F84 | L41-A43 PolarHBondContact O-N 3.17Å; A43-L46 WeakPolarHBondContact O-CB 3.29Å; A43-M78 HydrophobicContact CB-CE 3.95Å; A43-M78 HydrophobicContact CB-SD 3.49Å; A43-M78 WeakPolarHBondContact CB-SD 3.49Å; A43-F84 HydrophobicContact CB-CB 4.37Å; A43-F84 HydrophobicContact CB-CD2 3.5Å; A43-F84 HydrophobicContact CB-CE2 3.84Å; A43-F84 HydrophobicContact CB-CG 3.94Å; A43-F84 WeakPolarHBondContact O-CD2 3.44Å |
| 44 | L | 94.3 | Very high | 93 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -79 | -36.2 | 176.7 | -61.3 | 179.5 | 0 | 0 | 0 | 112 | C7 L10 V11 P40 L41 N42 L46 G47 H80 | C7-L44 HydrophobicContact CB-CD1 3.55Å; L10-L44 HydrophobicContact CB-CB 4.17Å; L10-L44 HydrophobicContact CD1-CB 4.21Å; V11-L44 HydrophobicContact CG2-CD1 4.41Å; V11-L44 HydrophobicContact CG2-CD2 4.12Å; P40-L44 WeakPolarHBondContact O-CG 3.17Å; P40-L44 PolarHBondContact O-N 3.12Å; L41-L44 PolarHBondContact O-N 3.14Å; N42-L44 VanDerWaalsContact C-N 3.3Å; N42-L44 PolarHBondContact O-N 3.17Å; L44-L46 PolarHBondContact O-N 3.43Å; L44-G47 PolarHBondContact O-N 3.22Å; L44-H80 HydrophobicContact CD2-CB 3.7Å |
| 45 | A | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.3 | -25.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L10 V31 C34 F35 L41 N42 G47 S48 I49 | L10-A45 HydrophobicContact CD1-CB 4.37Å; L10-A45 HydrophobicContact CD2-CB 4.27Å; V31-A45 HydrophobicContact CG1-CB 4.43Å; C34-A45 HydrophobicContact CB-CB 4.03Å; F35-A45 HydrophobicContact CB-CB 4.11Å; F35-A45 HydrophobicContact CD2-CB 4.11Å; L41-A45 WeakPolarHBondContact O-CB 3.49Å; L41-A45 PolarHBondContact O-N 2.82Å; N42-A45 PolarHBondContact O-N 3.04Å; A45-G47 PolarHBondContact O-N 3.2Å; A45-S48 WeakPolarHBondContact O-CB 3.46Å; A45-S48 PolarHBondContact O-N 2.98Å; A45-I49 PolarHBondContact O-N 3.18Å |
| 46 | L | 95 | Very high | 92.8 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -50.8 | -40.4 | 176.7 | -175.9 | 60.3 | 0 | 0 | 0 | 113.2 | F35 N42 A43 L44 S48 I49 V50 L63 V67 F84 N87 I91 | F35-L46 HydrophobicContact CE2-CB 4.2Å; F35-L46 HydrophobicContact CE2-CD1 3.87Å; F35-L46 HydrophobicContact CZ-CD1 4.37Å; N42-L46 PolarHBondContact O-N 3.31Å; A43-L46 WeakPolarHBondContact O-CB 3.29Å; L44-L46 PolarHBondContact O-N 3.43Å; L46-S48 VanDerWaalsContact C-N 3.34Å; L46-S48 PolarHBondContact O-N 3.37Å; L46-I49 PolarHBondContact O-N 3.22Å; L46-V50 HydrophobicContact CD1-CG2 4.38Å; L46-V50 HydrophobicContact CG-CG2 4.5Å; L46-V50 VanDerWaalsContact O-CG2 3.27Å; L46-V50 WeakPolarHBondContact O-CG2 3.41Å; L46-V50 PolarHBondContact O-N 3.17Å; L46-L63 HydrophobicContact CD1-CD1 4.3Å; L46-V67 HydrophobicContact CD1-CG2 3.47Å; L46-V67 VanDerWaalsContact CD1-CG2 3.47Å; L46-V67 HydrophobicContact CD2-CG1 4.17Å; L46-V67 HydrophobicContact CD2-CG2 4.17Å; L46-V67 HydrophobicContact CG-CG2 4.47Å; L46-F84 HydrophobicContact CD2-CD2 4Å; L46-F84 HydrophobicContact CD2-CE2 3.78Å; L46-N87 HydrophobicContact CD2-CB 4.37Å; L46-N87 HydrophobicContact CG-CB 4.42Å; L46-I91 HydrophobicContact CD1-CD1 3.54Å; L46-I91 HydrophobicContact CD2-CD1 3.76Å; L46-I91 HydrophobicContact CG-CD1 3.81Å |
| 47 | G | 92.7 | Very high | 92.6 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.9 | -43.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L44 A45 V50 I51 N87 | L44-G47 PolarHBondContact O-N 3.22Å; A45-G47 PolarHBondContact O-N 3.2Å; G47-V50 PolarHBondContact O-N 3.37Å; G47-I51 WeakPolarHBondContact O-CG1 3.3Å; G47-I51 PolarHBondContact O-N 3.38Å; G47-I51 VanDerWaalsContact O-N 3.16Å; G47-N87 VanDerWaalsContact CA-CG 3.49Å; G47-N87 WeakPolarHBondContact CA-ND2 3.38Å; G47-N87 PolarHBondContact N-ND2 3.49Å |
| 48 | S | 94.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.9 | -42.9 | 175.7 | -62.4 | 0 | 0 | 0 | 0 | 112 | L18 V31 A45 L46 V50 I51 L52 | L18-S48 VanDerWaalsContact CD1-CB 3.48Å; V31-S48 VanDerWaalsContact CG1-CB 3.47Å; A45-S48 WeakPolarHBondContact O-CB 3.46Å; A45-S48 PolarHBondContact O-N 2.98Å; L46-S48 VanDerWaalsContact C-N 3.34Å; L46-S48 PolarHBondContact O-N 3.37Å; S48-V50 VanDerWaalsContact C-N 3.34Å; S48-V50 PolarHBondContact O-N 3.35Å; S48-I51 PolarHBondContact O-N 2.78Å; S48-L52 WeakPolarHBondContact O-CG 3.36Å; S48-L52 PolarHBondContact O-N 2.78Å |
| 49 | I | 94.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.5 | -47.1 | 174.6 | -68.6 | -66.9 | 0 | 0 | 0 | 110.6 | V31 T32 F35 A45 L46 I51 L52 I53 M58 Y60 L63 | V31-I49 HydrophobicContact CG1-CD1 3.52Å; V31-I49 HydrophobicContact CG1-CG1 3.66Å; T32-I49 HydrophobicContact CG2-CD1 4.09Å; F35-I49 HydrophobicContact CB-CD1 4.42Å; F35-I49 HydrophobicContact CB-CG1 4.31Å; F35-I49 HydrophobicContact CD2-CG1 3.74Å; F35-I49 HydrophobicContact CE2-CG1 4.24Å; F35-I49 HydrophobicContact CG-CG1 4.08Å; A45-I49 PolarHBondContact O-N 3.18Å; L46-I49 PolarHBondContact O-N 3.22Å; I49-I51 VanDerWaalsContact C-N 3.29Å; I49-I51 PolarHBondContact O-N 2.87Å; I49-L52 PolarHBondContact O-N 3.11Å; I49-I53 HydrophobicContact CG2-CD1 3.53Å; I49-I53 HydrophobicContact CG2-CG1 4.2Å; I49-I53 VanDerWaalsContact O-CG1 3.23Å; I49-I53 WeakPolarHBondContact O-CG1 3.41Å; I49-I53 PolarHBondContact O-N 3.04Å; I49-M58 HydrophobicContact CD1-CE 3.66Å; I49-M58 HydrophobicContact CG2-CE 4.11Å; I49-Y60 HydrophobicContact CD1-CD2 4.12Å; I49-Y60 HydrophobicContact CD1-CE2 4.37Å; I49-L63 HydrophobicContact CG2-CD1 3.76Å |
| 50 | V | 91.7 | Very high | 92.5 | Very high | 15 Ų | 15 | 34.7 Ų | 34.7 | 9% | 0.091 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.9 | -41.8 | 178.2 | 170 | 0 | 0 | 0 | 0 | 111.2 | L46 G47 S48 I53 L54 M90 I91 | L46-V50 HydrophobicContact CD1-CG2 4.38Å; L46-V50 HydrophobicContact CG-CG2 4.5Å; L46-V50 VanDerWaalsContact O-CG2 3.27Å; L46-V50 WeakPolarHBondContact O-CG2 3.41Å; L46-V50 PolarHBondContact O-N 3.17Å; G47-V50 PolarHBondContact O-N 3.37Å; S48-V50 VanDerWaalsContact C-N 3.34Å; S48-V50 PolarHBondContact O-N 3.35Å; V50-I53 PolarHBondContact O-N 2.74Å; V50-L54 HydrophobicContact CG1-CD1 3.77Å; V50-L54 HydrophobicContact CG1-CG 4.4Å; V50-L54 WeakPolarHBondContact O-CB 3.49Å; V50-L54 VanDerWaalsContact O-CG 3.22Å; V50-L54 WeakPolarHBondContact O-CG 3.35Å; V50-L54 PolarHBondContact O-N 3.06Å; V50-M90 HydrophobicContact CG1-CG 4.46Å; V50-I91 HydrophobicContact CG2-CD1 3.69Å; V50-I91 HydrophobicContact CG2-CG1 3.6Å |
| 51 | I | 92.8 | Very high | 92.3 | Very high | 10 Ų | 10 | 38.4 Ų | 38.4 | 5% | 0.051 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65 | -45.2 | 177.1 | -66.5 | 165.6 | 0 | 0 | 0 | 111.1 | S14 L18 R19 G47 S48 I49 I53 L54 Q55 | S14-I51 WeakPolarHBondContact O-CD1 3.1Å; L18-I51 HydrophobicContact CB-CD1 4.34Å; L18-I51 HydrophobicContact CB-CG2 3.79Å; L18-I51 HydrophobicContact CD1-CB 4.44Å; L18-I51 HydrophobicContact CD1-CD1 4.49Å; L18-I51 HydrophobicContact CD1-CG2 4.49Å; R19-I51 HydrophobicContact CG-CD1 4.27Å; G47-I51 WeakPolarHBondContact O-CG1 3.3Å; G47-I51 PolarHBondContact O-N 3.38Å; G47-I51 VanDerWaalsContact O-N 3.16Å; S48-I51 PolarHBondContact O-N 2.78Å; I49-I51 VanDerWaalsContact C-N 3.29Å; I49-I51 PolarHBondContact O-N 2.87Å; I51-I53 VanDerWaalsContact C-N 3.34Å; I51-I53 PolarHBondContact O-N 3.28Å; I51-L54 PolarHBondContact O-N 2.94Å; I51-Q55 HydrophobicContact CG2-CG 4.14Å; I51-Q55 WeakPolarHBondContact O-CB 3.07Å; I51-Q55 PolarHBondContact O-N 3.38Å |
| 52 | L | 94 | Very high | 92.2 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.4 | -38.6 | 178.4 | -69.6 | 169.5 | 0 | 0 | 0 | 112.4 | P24 A28 V31 S48 I49 C56 N57 M58 | P24-L52 HydrophobicContact CB-CD2 4.15Å; P24-L52 WeakPolarHBondContact O-CD2 3.38Å; A28-L52 HydrophobicContact CB-CD1 4.29Å; V31-L52 HydrophobicContact CB-CD1 4.04Å; V31-L52 HydrophobicContact CG1-CD1 4.13Å; V31-L52 HydrophobicContact CG2-CD1 4.23Å; S48-L52 WeakPolarHBondContact O-CG 3.36Å; S48-L52 PolarHBondContact O-N 2.78Å; I49-L52 PolarHBondContact O-N 3.11Å; L52-C56 CarbonylContact O-C 3.57Å; L52-C56 WeakPolarHBondContact O-CA 3.47Å; L52-C56 VanDerWaalsContact O-CB 3.25Å; L52-C56 WeakPolarHBondContact O-CB 3.5Å; L52-C56 PolarHBondContact O-N 3.39Å; L52-N57 PolarHBondContact O-N 3.33Å; L52-M58 HydrophobicContact CB-CB 4.18Å; L52-M58 HydrophobicContact CB-CE 3.61Å; L52-M58 HydrophobicContact CB-SD 3.81Å; L52-M58 HydrophobicContact CD1-CE 4.06Å; L52-M58 HydrophobicContact CD1-SD 3.94Å; L52-M58 HydrophobicContact CG-SD 4.46Å; L52-M58 PolarHBondContact O-N 3.12Å |
| 53 | I | 92.5 | Very high | 92.1 | Very high | 49 Ų | 49 | 45.5 Ų | 45.5 | 25% | 0.251 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.9 | -48.7 | 173.8 | -67 | 165.5 | 0 | 0 | 0 | 109.9 | I49 V50 I51 N57 M58 L63 | I49-I53 HydrophobicContact CG2-CD1 3.53Å; I49-I53 HydrophobicContact CG2-CG1 4.2Å; I49-I53 VanDerWaalsContact O-CG1 3.23Å; I49-I53 WeakPolarHBondContact O-CG1 3.41Å; I49-I53 PolarHBondContact O-N 3.04Å; V50-I53 PolarHBondContact O-N 2.74Å; I51-I53 VanDerWaalsContact C-N 3.34Å; I51-I53 PolarHBondContact O-N 3.28Å; I53-N57 VanDerWaalsContact O-CA 3.26Å; I53-N57 WeakPolarHBondContact O-CA 3.43Å; I53-N57 PolarHBondContact O-N 3.46Å; I53-N57 VanDerWaalsContact O-N 3.15Å; I53-M58 HydrophobicContact CG1-CE 4.17Å; I53-M58 WeakPolarHBondContact CG1-O 3.21Å; I53-L63 HydrophobicContact CD1-CD2 3.53Å |
| 54 | L | 90 | Very high | 92.1 | Very high | 123 Ų | 123 | 49.1 Ų | 49.1 | 64% | 0.644 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -73.5 | -37.1 | -174.3 | -69.2 | 173.9 | 0 | 0 | 0 | 113.8 | V50 I51 | V50-L54 HydrophobicContact CG1-CD1 3.77Å; V50-L54 HydrophobicContact CG1-CG 4.4Å; V50-L54 WeakPolarHBondContact O-CB 3.49Å; V50-L54 VanDerWaalsContact O-CG 3.22Å; V50-L54 WeakPolarHBondContact O-CG 3.35Å; V50-L54 PolarHBondContact O-N 3.06Å; I51-L54 PolarHBondContact O-N 2.94Å |
| 55 | Q | 90.8 | Very high | 92.1 | Very high | 97 Ų | 97 | 51.2 Ų | 51.2 | 45% | 0.453 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -94.4 | -34.6 | -175.4 | -66.7 | -173.1 | -35.1 | 0 | 0 | 113.1 | L18 I51 | L18-Q55 PolarHBondContact O-OE1 3.29Å; I51-Q55 HydrophobicContact CG2-CG 4.14Å; I51-Q55 WeakPolarHBondContact O-CB 3.07Å; I51-Q55 PolarHBondContact O-N 3.38Å |
| 56 | C | 91.4 | Very high | 92 | Very high | 31 Ų | 31 | 55.2 Ų | 55.2 | 21% | 0.209 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -110.4 | 1.1 | -174 | -53.3 | 0 | 0 | 0 | 0 | 113.6 | M25 L52 M58 | M25-C56 HydrophobicContact CE-CB 3.53Å; M25-C56 HydrophobicContact SD-CB 4.47Å; L52-C56 CarbonylContact O-C 3.57Å; L52-C56 WeakPolarHBondContact O-CA 3.47Å; L52-C56 VanDerWaalsContact O-CB 3.25Å; L52-C56 WeakPolarHBondContact O-CB 3.5Å; L52-C56 PolarHBondContact O-N 3.39Å; C56-M58 PolarHBondContact O-N 3.06Å |
| 57 | N | 89.9 | Confident | 92 | Very high | 134 Ų | 134 | 55.2 Ų | 55.2 | 72% | 0.717 | 28% | 0.281 | S | S | * | . | trans | 52.4 | 35 | -172 | -59.7 | -43.7 | 0 | 0 | 0 | 112.5 | L52 I53 N59 | L52-N57 PolarHBondContact O-N 3.33Å; I53-N57 VanDerWaalsContact O-CA 3.26Å; I53-N57 WeakPolarHBondContact O-CA 3.43Å; I53-N57 PolarHBondContact O-N 3.46Å; I53-N57 VanDerWaalsContact O-N 3.15Å; N57-N59 PolarHBondContact O-N 3.13Å | ||
| 58 | M | 90.6 | Very high | 92.2 | Very high | 21 Ų | 21 | 55.1 Ų | 55.1 | 10% | 0.103 | 28% | 0.28 | C | S | . | . | trans | -64 | 129 | 176 | -174.9 | -176 | 73.2 | 0 | 0 | 109.3 | A28 I49 L52 I53 C56 | A28-M58 HydrophobicContact CB-SD 4.14Å; I49-M58 HydrophobicContact CD1-CE 3.66Å; I49-M58 HydrophobicContact CG2-CE 4.11Å; L52-M58 HydrophobicContact CB-CB 4.18Å; L52-M58 HydrophobicContact CB-CE 3.61Å; L52-M58 HydrophobicContact CB-SD 3.81Å; L52-M58 HydrophobicContact CD1-CE 4.06Å; L52-M58 HydrophobicContact CD1-SD 3.94Å; L52-M58 HydrophobicContact CG-SD 4.46Å; L52-M58 PolarHBondContact O-N 3.12Å; I53-M58 HydrophobicContact CG1-CE 4.17Å; I53-M58 WeakPolarHBondContact CG1-O 3.21Å; C56-M58 PolarHBondContact O-N 3.06Å | ||
| 59 | N | 89.3 | Confident | 92.1 | Very high | 152 Ų | 152 | 57.2 Ų | 57.2 | 81% | 0.813 | 29% | 0.291 | S | S | * | . | trans | -94.1 | 116.3 | 175.4 | -75.7 | -27.2 | 0 | 0 | 0 | 109.9 | N57 | N57-N59 PolarHBondContact O-N 3.13Š| ||
| 60 | Y | 89.7 | Confident | 92.1 | Very high | 48 Ų | 48 | 57.3 Ų | 57.3 | 19% | 0.188 | 29% | 0.291 | C | S | . | . | trans | -109 | 105.7 | 172.5 | -162.5 | -80.3 | 0 | 0 | 0 | 109.9 | T32 F35 I49 L63 | T32-Y60 HydrophobicContact CG2-CD2 4.18Å; T32-Y60 HydrophobicContact CG2-CE2 3.99Å; F35-Y60 AromaticContact CD1-CE1 3.95Å; F35-Y60 HydrophobicContact CD1-CE1 3.95Å; F35-Y60 HydrophobicContact CD1-CE2 4.08Å; F35-Y60 AromaticContact CD1-CZ 3.49Å; F35-Y60 VanDerWaalsContact CD1-CZ 3.49Å; F35-Y60 VanDerWaalsContact CD1-OH 3.27Å; F35-Y60 WeakPolarHBondContact CD1-OH 3.4Å; F35-Y60 HydrophobicContact CE1-CD1 4.45Å; F35-Y60 AromaticContact CE1-CE1 3.69Å; F35-Y60 HydrophobicContact CE1-CE1 3.69Å; F35-Y60 AromaticContact CE1-CZ 3.76Å; I49-Y60 HydrophobicContact CD1-CD2 4.12Å; I49-Y60 HydrophobicContact CD1-CE2 4.37Å; Y60-L63 HydrophobicContact CD1-CB 4.08Å; Y60-L63 HydrophobicContact CD1-CD1 4.09Å; Y60-L63 HydrophobicContact CG-CD1 4.46Å | ||
| 61 | P | 88.8 | Confident | 92.2 | Very high | 104 Ų | 104 | 56.6 Ų | 56.6 | 68% | 0.675 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | 142.2 | -178.4 | 27.6 | -33.7 | 0 | 0 | 0 | 110.8 | L63 | P61-L63 PolarHBondContact O-N 2.72Å; P61-L63 VanDerWaalsContact O-N 3.15Å |
| 62 | K | 90.1 | Very high | 92.2 | Very high | 154 Ų | 154 | 58.8 Ų | 58.8 | 67% | 0.67 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | 25 | 177.8 | -56.9 | -177.6 | 178.4 | 179.2 | 0 | 115.4 | Y64 D65 E66 | K62-Y64 PolarHBondContact O-N 2.55Å; K62-Y64 VanDerWaalsContact O-N 3.15Å; K62-D65 HydrophobicContact CB-CB 4.31Å; K62-D65 PolarHBondContact O-N 3.11Å; K62-E66 PolarHBondContact O-N 3.24Å |
| 63 | L | 92.9 | Very high | 92 | Very high | 15 Ų | 15 | 61.8 Ų | 61.8 | 8% | 0.079 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -47 | -47.5 | 177.3 | 179 | 69.3 | 0 | 0 | 0 | 112.6 | F35 L46 I49 I53 Y60 P61 D65 E66 V67 | F35-L63 HydrophobicContact CE1-CD1 4.44Å; F35-L63 HydrophobicContact CZ-CD1 3.88Å; L46-L63 HydrophobicContact CD1-CD1 4.3Å; I49-L63 HydrophobicContact CG2-CD1 3.76Å; I53-L63 HydrophobicContact CD1-CD2 3.53Å; Y60-L63 HydrophobicContact CD1-CB 4.08Å; Y60-L63 HydrophobicContact CD1-CD1 4.09Å; Y60-L63 HydrophobicContact CG-CD1 4.46Å; P61-L63 PolarHBondContact O-N 2.72Å; P61-L63 VanDerWaalsContact O-N 3.15Å; L63-D65 VanDerWaalsContact C-N 3.34Å; L63-D65 PolarHBondContact O-N 2.73Å; L63-E66 PolarHBondContact O-N 3.14Å; L63-V67 HydrophobicContact CD1-CG2 4.18Å; L63-V67 HydrophobicContact CG-CG2 4.3Å; L63-V67 VanDerWaalsContact O-CG2 3.23Å; L63-V67 WeakPolarHBondContact O-CG2 3.17Å; L63-V67 PolarHBondContact O-N 3.5Å |
| 64 | Y | 93.7 | Very high | 92 | Very high | 76 Ų | 76 | 62 Ų | 62 | 30% | 0.298 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -68.7 | -31.8 | -176.1 | -62.7 | -74.3 | 0 | 0 | 0 | 113.5 | K62 Y68 I91 L97 L101 | K62-Y64 PolarHBondContact O-N 2.55Å; K62-Y64 VanDerWaalsContact O-N 3.15Å; Y64-Y68 WeakPolarHBondContact O-CB 3.1Å; Y64-Y68 PolarHBondContact O-N 3.34Å; Y64-I91 HydrophobicContact CD1-CG2 4.18Å; Y64-I91 HydrophobicContact CE1-CG2 3.57Å; Y64-L97 HydrophobicContact CD1-CD2 4.25Å; Y64-L97 HydrophobicContact CE1-CD2 3.38Å; Y64-L97 HydrophobicContact CE2-CD2 4.15Å; Y64-L97 VanDerWaalsContact OH-CD2 3.25Å; Y64-L97 WeakPolarHBondContact OH-CD2 3.27Å; Y64-L101 HydrophobicContact CD1-CD2 3.84Å; Y64-L101 HydrophobicContact CD2-CD2 4.17Å; Y64-L101 HydrophobicContact CE1-CD2 4.38Å; Y64-L101 HydrophobicContact CG-CD2 3.72Å |
| 65 | D | 93.8 | Very high | 92.1 | Very high | 44 Ų | 44 | 56.2 Ų | 56.2 | 24% | 0.235 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.5 | -44.5 | 176.9 | -55.3 | -16.2 | 0 | 0 | 0 | 109.3 | K62 L63 Y68 N69 P164 | K62-D65 HydrophobicContact CB-CB 4.31Å; K62-D65 PolarHBondContact O-N 3.11Å; L63-D65 VanDerWaalsContact C-N 3.34Å; L63-D65 PolarHBondContact O-N 2.73Å; D65-Y68 WeakPolarHBondContact O-CB 3.11Å; D65-Y68 PolarHBondContact O-N 3.28Å; D65-N69 WeakPolarHBondContact O-CB 3.27Å; D65-N69 VanDerWaalsContact O-CG 3.28Å; D65-N69 PolarHBondContact O-N 3.13Å; D65-N69 PolarHBondContact O-ND2 3.18Å; D65-P164 VanDerWaalsContact OD1-CD 3.31Å; D65-P164 WeakPolarHBondContact OD1-CD 3.26Å |
| 66 | E | 93.7 | Very high | 92.1 | Very high | 85 Ų | 85 | 52.9 Ų | 52.9 | 40% | 0.397 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.4 | -48.6 | 175.6 | -66 | -60 | 158 | 0 | 0 | 111.5 | F35 K62 L63 Y68 N69 M70 | F35-E66 HydrophobicContact CE1-CB 3.82Å; F35-E66 HydrophobicContact CE1-CG 4.2Å; F35-E66 HydrophobicContact CZ-CB 4.14Å; K62-E66 PolarHBondContact O-N 3.24Å; L63-E66 PolarHBondContact O-N 3.14Å; E66-Y68 VanDerWaalsContact C-N 3.28Å; E66-Y68 PolarHBondContact O-N 3.25Å; E66-N69 CarbonylContact O-C 3.58Å; E66-N69 WeakPolarHBondContact O-CA 3.31Å; E66-N69 PolarHBondContact O-N 3.09Å; E66-M70 HydrophobicContact CB-CE 4.14Å; E66-M70 VanDerWaalsContact O-CG 3.3Å; E66-M70 WeakPolarHBondContact O-CG 3.48Å; E66-M70 PolarHBondContact O-N 2.96Å |
| 67 | V | 94.9 | Very high | 92 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.7 | -35.6 | 178.3 | 178.2 | 0 | 0 | 0 | 0 | 111.6 | F35 L46 L63 N69 M70 L88 I91 F105 | F35-V67 HydrophobicContact CZ-CG2 4.34Å; L46-V67 HydrophobicContact CD1-CG2 3.47Å; L46-V67 VanDerWaalsContact CD1-CG2 3.47Å; L46-V67 HydrophobicContact CD2-CG1 4.17Å; L46-V67 HydrophobicContact CD2-CG2 4.17Å; L46-V67 HydrophobicContact CG-CG2 4.47Å; L63-V67 HydrophobicContact CD1-CG2 4.18Å; L63-V67 HydrophobicContact CG-CG2 4.3Å; L63-V67 VanDerWaalsContact O-CG2 3.23Å; L63-V67 WeakPolarHBondContact O-CG2 3.17Å; L63-V67 PolarHBondContact O-N 3.5Å; V67-N69 VanDerWaalsContact C-N 3.34Å; V67-M70 WeakPolarHBondContact O-CB 3.25Å; V67-M70 PolarHBondContact O-N 3.39Å; V67-L88 HydrophobicContact CG1-CD1 3.66Å; V67-I91 HydrophobicContact CG2-CD1 4.47Å; V67-F105 HydrophobicContact CB-CE1 4.5Å; V67-F105 HydrophobicContact CB-CZ 4.26Å; V67-F105 HydrophobicContact CG1-CE1 3.9Å; V67-F105 HydrophobicContact CG1-CZ 4.08Å |
| 68 | Y | 95.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 173 | 178.9 | -110.7 | 0 | 0 | 0 | 110.6 | Y64 D65 E66 M70 L71 A104 F105 R108 Y157 A161 P164 | Y64-Y68 WeakPolarHBondContact O-CB 3.1Å; Y64-Y68 PolarHBondContact O-N 3.34Å; D65-Y68 WeakPolarHBondContact O-CB 3.11Å; D65-Y68 PolarHBondContact O-N 3.28Å; E66-Y68 VanDerWaalsContact C-N 3.28Å; E66-Y68 PolarHBondContact O-N 3.25Å; Y68-M70 VanDerWaalsContact C-N 3.31Å; Y68-M70 PolarHBondContact O-N 3.25Å; Y68-L71 WeakPolarHBondContact O-CB 3.35Å; Y68-L71 PolarHBondContact O-N 3.17Å; Y68-L71 VanDerWaalsContact O-N 3.11Å; Y68-A104 HydrophobicContact CD2-CB 4.39Å; Y68-A104 HydrophobicContact CE2-CB 3.82Å; Y68-F105 HydrophobicContact CD2-CE1 4.44Å; Y68-F105 HydrophobicContact CD2-CZ 4.44Å; Y68-R108 HydrophobicContact CD2-CB 4.42Å; Y68-R108 HydrophobicContact CE2-CB 3.65Å; Y68-R108 HydrophobicContact CE2-CG 4.06Å; Y68-R108 WeakPolarHBondContact O-CD 3.5Å; Y68-R108 PolarHBondContact O-NE 3.38Å; Y68-R108 VanDerWaalsContact O-NE 3.13Å; Y68-R108 PolarHBondContact O-NH1 2.91Å; Y68-R108 VanDerWaalsContact O-NH1 3.1Å; Y68-Y157 PolarHBondContact OH-OH 2.9Å; Y68-A161 WeakPolarHBondContact CE1-O 3.31Å; Y68-P164 HydrophobicContact CD1-CB 4.06Å; Y68-P164 HydrophobicContact CD1-CG 4.48Å; Y68-P164 HydrophobicContact CD2-CB 4.17Å; Y68-P164 HydrophobicContact CE1-CB 4.3Å; Y68-P164 HydrophobicContact CE2-CB 4.41Å; Y68-P164 HydrophobicContact CG-CB 4.01Å; Y68-P164 HydrophobicContact CG-CG 4.47Å |
| 69 | N | 93.8 | Very high | 91.8 | Very high | 44 Ų | 44 | 53.3 Ų | 53.3 | 24% | 0.235 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69.2 | -26.1 | 178 | -69.6 | -39.3 | 0 | 0 | 0 | 114.1 | D65 E66 V67 L71 R108 T162 | D65-N69 WeakPolarHBondContact O-CB 3.27Å; D65-N69 VanDerWaalsContact O-CG 3.28Å; D65-N69 PolarHBondContact O-N 3.13Å; D65-N69 PolarHBondContact O-ND2 3.18Å; E66-N69 CarbonylContact O-C 3.58Å; E66-N69 WeakPolarHBondContact O-CA 3.31Å; E66-N69 PolarHBondContact O-N 3.09Å; V67-N69 VanDerWaalsContact C-N 3.34Å; N69-L71 PolarHBondContact O-N 2.87Å; N69-R108 PolarHBondContact O-NH2 3.09Å; N69-R108 PolarHBondContact OD1-NH1 2.92Å; N69-R108 VanDerWaalsContact OD1-NH1 3.12Å; N69-T162 PolarHBondContact ND2-O 3.07Å; N69-T162 VanDerWaalsContact OD1-CA 3.27Å; N69-T162 WeakPolarHBondContact OD1-CA 3.36Å; N69-T162 PolarHBondContact OD1-O 3.25Å |
| 70 | M | 94.2 | Very high | 91.8 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.01 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -18.7 | 170.8 | -67.9 | 171.9 | -161.5 | 0 | 0 | 113.3 | F35 H39 N42 E66 V67 Y68 H72 I75 F84 | F35-M70 HydrophobicContact CD1-CE 4.36Å; F35-M70 HydrophobicContact CD2-CE 4.1Å; F35-M70 HydrophobicContact CE1-CE 3.71Å; F35-M70 HydrophobicContact CE2-CE 3.39Å; F35-M70 HydrophobicContact CE2-SD 4.25Å; F35-M70 HydrophobicContact CZ-CE 3.18Å; F35-M70 HydrophobicContact CZ-SD 4.35Å; H39-M70 PolarHBondContact CE1-O 3.35Å; H39-M70 VanDerWaalsContact CE1-O 3.27Å; H39-M70 WeakPolarHBondContact NE2-CA 3.36Å; H39-M70 WeakPolarHBondContact NE2-CB 3.43Å; H39-M70 PolarHBondContact NE2-O 3.23Å; H39-M70 VanDerWaalsContact NE2-O 3.1Å; N42-M70 HydrophobicContact CB-CE 3.68Å; N42-M70 HydrophobicContact CB-SD 4.32Å; E66-M70 HydrophobicContact CB-CE 4.14Å; E66-M70 VanDerWaalsContact O-CG 3.3Å; E66-M70 WeakPolarHBondContact O-CG 3.48Å; E66-M70 PolarHBondContact O-N 2.96Å; V67-M70 WeakPolarHBondContact O-CB 3.25Å; V67-M70 PolarHBondContact O-N 3.39Å; Y68-M70 VanDerWaalsContact C-N 3.31Å; Y68-M70 PolarHBondContact O-N 3.25Å; M70-H72 PolarHBondContact O-CD2 2.7Å; M70-H72 PolarHBondContact O-N 3.37Å; M70-I75 WeakPolarHBondContact O-CD1 3.42Å; M70-F84 HydrophobicContact CB-CE2 4.41Å; M70-F84 HydrophobicContact CB-CZ 4.22Å; M70-F84 HydrophobicContact SD-CE2 4.5Å |
| 71 | L | 94.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | trans | -78.5 | 83.8 | 175.5 | -62.6 | 173.9 | 0 | 0 | 0 | 111.1 | Y68 N69 I75 F84 L88 F105 R108 L112 | Y68-L71 WeakPolarHBondContact O-CB 3.35Å; Y68-L71 PolarHBondContact O-N 3.17Å; Y68-L71 VanDerWaalsContact O-N 3.11Å; N69-L71 PolarHBondContact O-N 2.87Å; L71-I75 HydrophobicContact CB-CD1 4.48Å; L71-I75 HydrophobicContact CD2-CD1 3.73Å; L71-F84 HydrophobicContact CD2-CE1 4.09Å; L71-F84 HydrophobicContact CD2-CZ 4.09Å; L71-L88 HydrophobicContact CD1-CD2 4.48Å; L71-L88 HydrophobicContact CD2-CD2 3.61Å; L71-F105 HydrophobicContact CD1-CD1 3.42Å; L71-F105 VanDerWaalsContact CD1-CD1 3.42Å; L71-F105 HydrophobicContact CD1-CE1 3.71Å; L71-R108 HydrophobicContact CB-CG 4.05Å; L71-R108 PolarHBondContact O-NE 2.87Å; L71-R108 PolarHBondContact O-NH2 3Å; L71-L112 HydrophobicContact CB-CD1 4.04Å | ||
| 72 | H | 91.3 | Very high | 91.9 | Very high | 56 Ų | 56 | 43.6 Ų | 43.6 | 26% | 0.259 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -139.9 | 178.3 | 171.8 | 73.2 | 104.8 | 0 | 0 | 0 | 112.6 | H39 M70 C74 I75 | H39-H72 AromaticContact CD2-CD2 3.62Å; H39-H72 AromaticContact CD2-NE2 2.9Å; H39-H72 PolarHBondContact CD2-NE2 3.46Å; H39-H72 AromaticContact CG-NE2 3.59Å; H39-H72 AromaticContact NE2-CD2 3.53Å; H39-H72 AromaticContact NE2-NE2 3.34Å; H39-H72 PolarHBondContact NE2-NE2 3.39Å; M70-H72 PolarHBondContact O-CD2 2.7Å; M70-H72 PolarHBondContact O-N 3.37Å; H72-C74 WeakPolarHBondContact CE1-CB 3.41Å; H72-C74 PolarHBondContact CE1-SG 3.13Å; H72-C74 PolarHBondContact ND1-N 3.14Å; H72-C74 PolarHBondContact O-N 3.11Å; H72-I75 WeakPolarHBondContact O-CG1 3.29Å; H72-I75 PolarHBondContact O-N 3.14Å; H72-I75 VanDerWaalsContact O-N 3.17Å |
| 73 | S | 91.6 | Very high | 92 | Very high | 63 Ų | 63 | 36.9 Ų | 36.9 | 44% | 0.441 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -57.7 | -22.7 | -171.9 | 51.1 | 0 | 0 | 0 | 0 | 115.1 | I75 F76 | S73-I75 PolarHBondContact O-N 3.01Å; S73-I75 VanDerWaalsContact O-N 3.17Å; S73-F76 WeakPolarHBondContact O-CD2 3.32Å; S73-F76 WeakPolarHBondContact O-CG 3.48Å; S73-F76 PolarHBondContact O-N 2.91Å |
| 74 | C | 90.8 | Very high | 92.1 | Very high | 53 Ų | 53 | 36.1 Ų | 36.1 | 36% | 0.358 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -65.5 | -17.5 | 178.9 | -67 | 0 | 0 | 0 | 0 | 113.5 | H72 F76 T77 M78 | H72-C74 WeakPolarHBondContact CE1-CB 3.41Å; H72-C74 PolarHBondContact CE1-SG 3.13Å; H72-C74 PolarHBondContact ND1-N 3.14Å; H72-C74 PolarHBondContact O-N 3.11Å; C74-F76 PolarHBondContact O-N 3.17Å; C74-F76 VanDerWaalsContact O-N 3.14Å; C74-T77 PolarHBondContact O-N 3.02Å; C74-T77 PolarHBondContact O-OG1 3.48Å; C74-M78 PolarHBondContact O-N 3.47Å; C74-M78 VanDerWaalsContact O-N 3.13Å |
| 75 | I | 92.1 | Very high | 92 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -57 | -30 | 174.9 | -67.3 | 166.5 | 0 | 0 | 0 | 111.6 | M70 L71 H72 S73 T77 F84 F124 | M70-I75 WeakPolarHBondContact O-CD1 3.42Å; L71-I75 HydrophobicContact CB-CD1 4.48Å; L71-I75 HydrophobicContact CD2-CD1 3.73Å; H72-I75 WeakPolarHBondContact O-CG1 3.29Å; H72-I75 PolarHBondContact O-N 3.14Å; H72-I75 VanDerWaalsContact O-N 3.17Å; S73-I75 PolarHBondContact O-N 3.01Å; S73-I75 VanDerWaalsContact O-N 3.17Å; I75-T77 VanDerWaalsContact C-N 3.33Å; I75-T77 PolarHBondContact O-N 3.47Å; I75-F84 HydrophobicContact CD1-CE1 3.67Å; I75-F84 HydrophobicContact CD1-CZ 4.35Å; I75-F84 HydrophobicContact CG1-CD1 4.49Å; I75-F84 HydrophobicContact CG1-CE1 4Å; I75-F124 HydrophobicContact CG2-CZ 4.2Å |
| 76 | F | 90.8 | Very high | 92 | Very high | 27 Ų | 27 | 35 Ų | 35 | 12% | 0.118 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -65 | -37.4 | -178.3 | -53.6 | -36.2 | 0 | 0 | 0 | 112.5 | S73 C74 R81 L112 L115 A116 P117 C120 F124 | S73-F76 WeakPolarHBondContact O-CD2 3.32Å; S73-F76 WeakPolarHBondContact O-CG 3.48Å; S73-F76 PolarHBondContact O-N 2.91Å; C74-F76 PolarHBondContact O-N 3.17Å; C74-F76 VanDerWaalsContact O-N 3.14Å; F76-R81 PolarHBondContact O-NH1 2.96Å; F76-L112 HydrophobicContact CZ-CB 4.38Å; F76-L112 WeakPolarHBondContact CZ-O 3.26Å; F76-L115 HydrophobicContact CE2-CB 4.15Å; F76-A116 HydrophobicContact CD1-CB 4.27Å; F76-A116 HydrophobicContact CE1-CB 3.49Å; F76-A116 VanDerWaalsContact CE1-CB 3.49Å; F76-A116 HydrophobicContact CZ-CB 3.66Å; F76-P117 HydrophobicContact CB-CG 4.31Å; F76-P117 HydrophobicContact CG-CG 4.47Å; F76-C120 HydrophobicContact CD1-CB 4.12Å; F76-C120 HydrophobicContact CE1-CB 4.36Å; F76-F124 HydrophobicContact CD1-CZ 4.41Å; F76-F124 AromaticContact CE1-CE2 3.61Å; F76-F124 HydrophobicContact CE1-CE2 3.61Å; F76-F124 AromaticContact CE1-CZ 3.84Å; F76-F124 HydrophobicContact CE1-CZ 3.84Å; F76-F124 HydrophobicContact CZ-CE2 4.36Å |
| 77 | T | 89.2 | Confident | 91.9 | Very high | 123 Ų | 123 | 32.2 Ų | 32.2 | 76% | 0.755 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | -7 | -176.7 | 53.2 | 0 | 0 | 0 | 0 | 113.4 | C74 I75 | C74-T77 PolarHBondContact O-N 3.02Å; C74-T77 PolarHBondContact O-OG1 3.48Å; I75-T77 VanDerWaalsContact C-N 3.33Å; I75-T77 PolarHBondContact O-N 3.47Å |
| 78 | M | 88.9 | Confident | 91.9 | Very high | 13 Ų | 13 | 32.2 Ų | 32.2 | 6% | 0.064 | 18% | 0.179 | C | C | . | . | trans | -64.6 | 136.1 | -172.9 | -168 | 173.8 | 72.3 | 0 | 0 | 113.4 | P40 A43 C74 R81 F84 | P40-M78 HydrophobicContact CB-CG 3.56Å; P40-M78 HydrophobicContact CB-SD 4.09Å; A43-M78 HydrophobicContact CB-CE 3.95Å; A43-M78 HydrophobicContact CB-SD 3.49Å; A43-M78 WeakPolarHBondContact CB-SD 3.49Å; C74-M78 PolarHBondContact O-N 3.47Å; C74-M78 VanDerWaalsContact O-N 3.13Å; M78-R81 HydrophobicContact CB-CB 4.3Å; M78-R81 HydrophobicContact CE-CB 3.96Å; M78-F84 HydrophobicContact CE-CB 3.36Å; M78-F84 HydrophobicContact CE-CD1 3.76Å; M78-F84 HydrophobicContact CE-CG 3.68Å | ||
| 79 | P | 87.8 | Confident | 91.8 | Very high | 59 Ų | 59 | 32.7 Ų | 32.7 | 38% | 0.383 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | 148.3 | 168.1 | 29 | -35.2 | 0 | 0 | 0 | 110.3 | P40 R81 | P40-P79 HydrophobicContact CB-CG 3.97Å; P40-P79 HydrophobicContact CG-CG 3.99Å; P79-R81 PolarHBondContact O-N 3.41Å |
| 80 | H | 89.2 | Confident | 91.6 | Very high | 57 Ų | 57 | 34.7 Ų | 34.7 | 26% | 0.264 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 27.3 | 177.8 | -54.8 | -60.5 | 0 | 0 | 0 | 114.8 | D8 V11 L44 T82 V83 F84 | D8-H80 IonicContact OD1-CD2 2.78Å; D8-H80 IonicContact OD1-CE1 3.06Å; D8-H80 IonicContact OD1-NE2 2.74Å; D8-H80 PolarHBondContact OD1-NE2 2.86Å; V11-H80 HydrophobicContact CG2-CB 3.96Å; L44-H80 HydrophobicContact CD2-CB 3.7Å; H80-T82 PolarHBondContact O-N 3.17Å; H80-V83 HydrophobicContact CB-CB 4.4Å; H80-V83 HydrophobicContact CB-CG2 4.16Å; H80-V83 VanDerWaalsContact O-CB 3.32Å; H80-V83 WeakPolarHBondContact O-CB 3.25Å; H80-V83 PolarHBondContact O-N 3.05Å; H80-F84 PolarHBondContact O-N 2.9Å |
| 81 | R | 90.9 | Very high | 91.5 | Very high | 28 Ų | 28 | 35.2 Ų | 35.2 | 11% | 0.106 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -53.1 | -29.7 | -179.1 | 71 | -174.6 | -176.8 | -155.8 | 2.1 | 114.8 | F76 M78 P79 V83 F84 L85 N211 | F76-R81 PolarHBondContact O-NH1 2.96Å; M78-R81 HydrophobicContact CB-CB 4.3Å; M78-R81 HydrophobicContact CE-CB 3.96Å; P79-R81 PolarHBondContact O-N 3.41Å; R81-V83 VanDerWaalsContact C-N 3.31Å; R81-F84 PolarHBondContact O-N 2.73Å; R81-L85 VanDerWaalsContact O-CG 3.27Å; R81-L85 WeakPolarHBondContact O-CG 3.47Å; R81-L85 PolarHBondContact O-N 3.21Å; R81-N211 PolarHBondContact NH1-ND2 3.04Å; R81-N211 VanDerWaalsContact NH1-ND2 3.17Å; R81-N211 PolarHBondContact NH2-ND2 3.34Å; R81-N211 VanDerWaalsContact NH2-ND2 3.14Å; R81-N211 PolarHBondContact NH2-OD1 2.8Å |
| 82 | T | 90.9 | Very high | 91.4 | Very high | 15 Ų | 15 | 35.3 Ų | 35.3 | 9% | 0.092 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65 | -37.1 | 175.7 | 46.5 | 0 | 0 | 0 | 0 | 112.1 | H80 L85 Q86 L208 K209 | H80-T82 PolarHBondContact O-N 3.17Å; T82-L85 PolarHBondContact O-N 2.69Å; T82-Q86 WeakPolarHBondContact O-CB 3.43Å; T82-Q86 WeakPolarHBondContact O-CG 3.29Å; T82-Q86 PolarHBondContact O-N 2.94Å; T82-L208 HydrophobicContact CG2-CB 4.15Å; T82-K209 VanDerWaalsContact CG2-C 3.49Å; T82-K209 VanDerWaalsContact CG2-O 3.29Å; T82-K209 WeakPolarHBondContact CG2-O 3.47Å |
| 83 | V | 91.7 | Very high | 91.3 | Very high | 13 Ų | 13 | 38.7 Ų | 38.7 | 8% | 0.079 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.8 | -46 | 177.3 | -179.4 | 0 | 0 | 0 | 0 | 109.6 | V11 H80 R81 L85 Q86 N87 | V11-V83 HydrophobicContact CG1-CG2 4.35Å; H80-V83 HydrophobicContact CB-CB 4.4Å; H80-V83 HydrophobicContact CB-CG2 4.16Å; H80-V83 VanDerWaalsContact O-CB 3.32Å; H80-V83 WeakPolarHBondContact O-CB 3.25Å; H80-V83 PolarHBondContact O-N 3.05Å; R81-V83 VanDerWaalsContact C-N 3.31Å; V83-L85 PolarHBondContact O-N 3.5Å; V83-Q86 WeakPolarHBondContact O-CB 3.37Å; V83-Q86 PolarHBondContact O-N 3.06Å; V83-N87 VanDerWaalsContact O-CG 3.3Å; V83-N87 PolarHBondContact O-N 2.85Å; V83-N87 PolarHBondContact O-ND2 3.45Å |
| 84 | F | 93.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.3 | -48.3 | 173.6 | 169.2 | -110.7 | 0 | 0 | 0 | 112.4 | A43 L46 M70 L71 I75 M78 H80 R81 Q86 N87 L88 | A43-F84 HydrophobicContact CB-CB 4.37Å; A43-F84 HydrophobicContact CB-CD2 3.5Å; A43-F84 HydrophobicContact CB-CE2 3.84Å; A43-F84 HydrophobicContact CB-CG 3.94Å; A43-F84 WeakPolarHBondContact O-CD2 3.44Å; L46-F84 HydrophobicContact CD2-CD2 4Å; L46-F84 HydrophobicContact CD2-CE2 3.78Å; M70-F84 HydrophobicContact CB-CE2 4.41Å; M70-F84 HydrophobicContact CB-CZ 4.22Å; M70-F84 HydrophobicContact SD-CE2 4.5Å; L71-F84 HydrophobicContact CD2-CE1 4.09Å; L71-F84 HydrophobicContact CD2-CZ 4.09Å; I75-F84 HydrophobicContact CD1-CE1 3.67Å; I75-F84 HydrophobicContact CD1-CZ 4.35Å; I75-F84 HydrophobicContact CG1-CD1 4.49Å; I75-F84 HydrophobicContact CG1-CE1 4Å; M78-F84 HydrophobicContact CE-CB 3.36Å; M78-F84 HydrophobicContact CE-CD1 3.76Å; M78-F84 HydrophobicContact CE-CG 3.68Å; H80-F84 PolarHBondContact O-N 2.9Å; R81-F84 PolarHBondContact O-N 2.73Å; F84-Q86 VanDerWaalsContact C-N 3.3Å; F84-Q86 PolarHBondContact O-N 2.97Å; F84-N87 PolarHBondContact O-N 2.98Å; F84-L88 WeakPolarHBondContact O-CB 3.4Å; F84-L88 PolarHBondContact O-N 2.99Å |
| 85 | L | 93.5 | Very high | 90.8 | Very high | 5 Ų | 5 | 40.9 Ų | 40.9 | 3% | 0.026 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.6 | -30.6 | -179.7 | -67.1 | 173.7 | 0 | 0 | 0 | 112.9 | R81 T82 V83 L88 D89 T123 F124 L127 L208 | R81-L85 VanDerWaalsContact O-CG 3.27Å; R81-L85 WeakPolarHBondContact O-CG 3.47Å; R81-L85 PolarHBondContact O-N 3.21Å; T82-L85 PolarHBondContact O-N 2.69Å; V83-L85 PolarHBondContact O-N 3.5Å; L85-L88 HydrophobicContact CD2-CD2 4.29Å; L85-D89 PolarHBondContact O-N 3.47Å; L85-T123 HydrophobicContact CD1-CG2 3.68Å; L85-F124 HydrophobicContact CD1-CE1 3.98Å; L85-F124 HydrophobicContact CD2-CE1 3.95Å; L85-L127 HydrophobicContact CB-CD1 4.32Å; L85-L127 HydrophobicContact CD2-CD1 3.99Å; L85-L208 HydrophobicContact CB-CD2 3.88Å; L85-L208 HydrophobicContact CD1-CD2 4.17Å |
| 86 | Q | 92.2 | Very high | 90.5 | Very high | 92 Ų | 92 | 48.9 Ų | 48.9 | 43% | 0.43 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.9 | -45.8 | 170.7 | -75.3 | 171 | -24.6 | 0 | 0 | 111.5 | T82 V83 F84 L88 D89 M90 L208 | T82-Q86 WeakPolarHBondContact O-CB 3.43Å; T82-Q86 WeakPolarHBondContact O-CG 3.29Å; T82-Q86 PolarHBondContact O-N 2.94Å; V83-Q86 WeakPolarHBondContact O-CB 3.37Å; V83-Q86 PolarHBondContact O-N 3.06Å; F84-Q86 VanDerWaalsContact C-N 3.3Å; F84-Q86 PolarHBondContact O-N 2.97Å; Q86-L88 VanDerWaalsContact C-N 3.3Å; Q86-L88 PolarHBondContact O-N 3.25Å; Q86-D89 PolarHBondContact O-N 2.79Å; Q86-M90 PolarHBondContact O-N 3.38Å; Q86-L208 HydrophobicContact CB-CD1 4.49Å; Q86-L208 HydrophobicContact CG-CD1 3.42Å; Q86-L208 VanDerWaalsContact CG-CD1 3.42Å |
| 87 | N | 92.3 | Very high | 90.6 | Very high | 25 Ų | 25 | 48.4 Ų | 48.4 | 13% | 0.134 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.2 | -37.7 | 176.4 | -66.2 | -31.4 | 0 | 0 | 0 | 111.4 | L46 G47 V83 F84 M90 I91 | L46-N87 HydrophobicContact CD2-CB 4.37Å; L46-N87 HydrophobicContact CG-CB 4.42Å; G47-N87 VanDerWaalsContact CA-CG 3.49Å; G47-N87 WeakPolarHBondContact CA-ND2 3.38Å; G47-N87 PolarHBondContact N-ND2 3.49Å; V83-N87 VanDerWaalsContact O-CG 3.3Å; V83-N87 PolarHBondContact O-N 2.85Å; V83-N87 PolarHBondContact O-ND2 3.45Å; F84-N87 PolarHBondContact O-N 2.98Å; N87-M90 WeakPolarHBondContact O-CB 3.44Å; N87-M90 PolarHBondContact O-N 3.39Å; N87-I91 WeakPolarHBondContact O-CG1 3.29Å; N87-I91 PolarHBondContact O-N 2.87Å |
| 88 | L | 94.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.9 | -46.9 | 174.4 | -174.6 | 65.7 | 0 | 0 | 0 | 111.7 | V67 L71 F84 L85 Q86 M90 I91 M92 F105 W131 | V67-L88 HydrophobicContact CG1-CD1 3.66Å; L71-L88 HydrophobicContact CD1-CD2 4.48Å; L71-L88 HydrophobicContact CD2-CD2 3.61Å; F84-L88 WeakPolarHBondContact O-CB 3.4Å; F84-L88 PolarHBondContact O-N 2.99Å; L85-L88 HydrophobicContact CD2-CD2 4.29Å; Q86-L88 VanDerWaalsContact C-N 3.3Å; Q86-L88 PolarHBondContact O-N 3.25Å; L88-M90 VanDerWaalsContact C-N 3.26Å; L88-M90 PolarHBondContact O-N 2.85Å; L88-I91 PolarHBondContact O-N 3.27Å; L88-M92 VanDerWaalsContact O-CG 3.29Å; L88-M92 WeakPolarHBondContact O-CG 3.4Å; L88-M92 PolarHBondContact O-N 3.5Å; L88-M92 VanDerWaalsContact O-N 3.1Å; L88-F105 HydrophobicContact CD1-CD1 4.32Å; L88-F105 HydrophobicContact CD1-CE1 4.11Å; L88-W131 HydrophobicContact CD2-CH2 3.79Å; L88-W131 HydrophobicContact CD2-CZ2 4.11Å; L88-W131 HydrophobicContact CG-CH2 4.06Å; L88-W131 HydrophobicContact CG-CZ2 4Å |
| 89 | D | 93.3 | Very high | 91.1 | Very high | 11 Ų | 11 | 46.8 Ų | 46.8 | 6% | 0.059 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.6 | -38 | 174.5 | -177.6 | 49 | 0 | 0 | 0 | 111.9 | L85 Q86 M92 R93 L127 W131 R134 | L85-D89 PolarHBondContact O-N 3.47Å; Q86-D89 PolarHBondContact O-N 2.79Å; D89-M92 CarbonylContact O-C 3.57Å; D89-M92 PolarHBondContact O-N 3.46Å; D89-R93 WeakPolarHBondContact O-CG 3.36Å; D89-R93 PolarHBondContact O-N 3.38Å; D89-R93 IonicContact OD2-CZ 4Å; D89-R93 IonicContact OD2-NE 3.51Å; D89-R93 PolarHBondContact OD2-NE 3.09Å; D89-R93 IonicContact OD2-NH2 2.94Å; D89-R93 PolarHBondContact OD2-NH2 3.45Å; D89-L127 HydrophobicContact CB-CD2 3.76Å; D89-W131 PolarHBondContact OD1-NE1 3.09Å; D89-R134 PolarHBondContact O-NH1 2.96Å; D89-R134 IonicContact OD1-CZ 3.89Å; D89-R134 IonicContact OD1-NH1 2.72Å; D89-R134 PolarHBondContact OD1-NH1 3.49Å; D89-R134 IonicContact OD1-NH2 3.96Å; D89-R134 PolarHBondContact OD1-NH2 2.9Å; D89-R134 IonicContact OD2-NH2 3.12Å |
| 90 | M | 91.1 | Very high | 91.5 | Very high | 86 Ų | 86 | 48.8 Ų | 48.8 | 42% | 0.424 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.3 | -45.9 | 176.8 | -172.1 | 66.2 | 73.4 | 0 | 0 | 111.8 | V50 Q86 N87 L88 M92 R93 | V50-M90 HydrophobicContact CG1-CG 4.46Å; Q86-M90 PolarHBondContact O-N 3.38Å; N87-M90 WeakPolarHBondContact O-CB 3.44Å; N87-M90 PolarHBondContact O-N 3.39Å; L88-M90 VanDerWaalsContact C-N 3.26Å; L88-M90 PolarHBondContact O-N 2.85Å; M90-M92 VanDerWaalsContact C-N 3.29Å; M90-M92 PolarHBondContact O-N 3.39Å; M90-R93 WeakPolarHBondContact O-CB 3.18Å; M90-R93 PolarHBondContact O-N 3.45Å; M90-R93 VanDerWaalsContact O-N 3.11Å |
| 91 | I | 91.7 | Very high | 91.8 | Very high | 13 Ų | 13 | 46.4 Ų | 46.4 | 7% | 0.067 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.6 | -42 | 177.3 | -68.3 | 167.4 | 0 | 0 | 0 | 110.7 | L46 V50 Y64 V67 N87 L88 R93 S94 | L46-I91 HydrophobicContact CD1-CD1 3.54Å; L46-I91 HydrophobicContact CD2-CD1 3.76Å; L46-I91 HydrophobicContact CG-CD1 3.81Å; V50-I91 HydrophobicContact CG2-CD1 3.69Å; V50-I91 HydrophobicContact CG2-CG1 3.6Å; Y64-I91 HydrophobicContact CD1-CG2 4.18Å; Y64-I91 HydrophobicContact CE1-CG2 3.57Å; V67-I91 HydrophobicContact CG2-CD1 4.47Å; N87-I91 WeakPolarHBondContact O-CG1 3.29Å; N87-I91 PolarHBondContact O-N 2.87Å; L88-I91 PolarHBondContact O-N 3.27Å; I91-R93 PolarHBondContact O-N 3.28Å; I91-R93 VanDerWaalsContact O-N 3.12Å; I91-S94 WeakPolarHBondContact O-CB 3.35Å; I91-S94 PolarHBondContact O-N 2.92Å; I91-S94 VanDerWaalsContact O-N 3.12Å |
| 92 | M | 91.7 | Very high | 92 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -2.9 | 178.6 | -64.1 | -62.7 | -68.1 | 0 | 0 | 113.8 | L88 D89 M90 L97 I102 F105 W131 R134 H135 | L88-M92 VanDerWaalsContact O-CG 3.29Å; L88-M92 WeakPolarHBondContact O-CG 3.4Å; L88-M92 PolarHBondContact O-N 3.5Å; L88-M92 VanDerWaalsContact O-N 3.1Å; D89-M92 CarbonylContact O-C 3.57Å; D89-M92 PolarHBondContact O-N 3.46Å; M90-M92 VanDerWaalsContact C-N 3.29Å; M90-M92 PolarHBondContact O-N 3.39Å; M92-L97 HydrophobicContact SD-CD1 4.2Å; M92-I102 HydrophobicContact CE-CB 4.13Å; M92-I102 HydrophobicContact CE-CG1 4.05Å; M92-I102 HydrophobicContact CE-CG2 3.75Å; M92-F105 HydrophobicContact CE-CB 3.92Å; M92-F105 HydrophobicContact CE-CG 4.41Å; M92-F105 HydrophobicContact SD-CB 4.17Å; M92-F105 HydrophobicContact SD-CD1 4.47Å; M92-F105 HydrophobicContact SD-CD2 4.2Å; M92-F105 HydrophobicContact SD-CG 4.02Å; M92-W131 HydrophobicContact CB-CD2 4.46Å; M92-W131 HydrophobicContact CB-CZ2 4.36Å; M92-W131 HydrophobicContact CE-CD2 4.12Å; M92-W131 HydrophobicContact CE-CE3 4.18Å; M92-W131 HydrophobicContact CE-CG 4.43Å; M92-W131 HydrophobicContact CG-CD2 4.29Å; M92-W131 HydrophobicContact CG-CH2 4.3Å; M92-W131 HydrophobicContact CG-CZ2 3.76Å; M92-R134 VanDerWaalsContact C-NH1 3.3Å; M92-R134 WeakPolarHBondContact O-CD 3.49Å; M92-R134 PolarHBondContact O-NH1 3.44Å; M92-R134 VanDerWaalsContact O-NH1 3.15Å; M92-H135 PolarHBondContact O-NE2 3.08Å |
| 93 | R | 90.1 | Very high | 92.3 | Very high | 127 Ų | 127 | 44.5 Ų | 44.5 | 48% | 0.479 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -15 | 170.2 | -70.2 | 171.6 | -168.8 | -166.7 | 0.2 | 113.3 | D89 M90 I91 T95 | D89-R93 WeakPolarHBondContact O-CG 3.36Å; D89-R93 PolarHBondContact O-N 3.38Å; D89-R93 IonicContact OD2-CZ 4Å; D89-R93 IonicContact OD2-NE 3.51Å; D89-R93 PolarHBondContact OD2-NE 3.09Å; D89-R93 IonicContact OD2-NH2 2.94Å; D89-R93 PolarHBondContact OD2-NH2 3.45Å; M90-R93 WeakPolarHBondContact O-CB 3.18Å; M90-R93 PolarHBondContact O-N 3.45Å; M90-R93 VanDerWaalsContact O-N 3.11Å; I91-R93 PolarHBondContact O-N 3.28Å; I91-R93 VanDerWaalsContact O-N 3.12Å; R93-T95 PolarHBondContact O-N 2.86Å |
| 94 | S | 88.4 | Confident | 92.5 | Very high | 40 Ų | 40 | 43.9 Ų | 43.9 | 28% | 0.28 | 22% | 0.22 | S | C | . | . | trans | -60.4 | 131.3 | -179.6 | 179.5 | 0 | 0 | 0 | 0 | 111.3 | I91 H96 | I91-S94 WeakPolarHBondContact O-CB 3.35Å; I91-S94 PolarHBondContact O-N 2.92Å; I91-S94 VanDerWaalsContact O-N 3.12Å; S94-H96 VanDerWaalsContact C-N 3.3Å | ||
| 95 | T | 83 | Confident | 92.7 | Very high | 123 Ų | 123 | 44 Ų | 44 | 76% | 0.755 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -14.6 | -179.9 | 48.2 | 0 | 0 | 0 | 0 | 113.3 | R93 | R93-T95 PolarHBondContact O-N 2.86Š|
| 96 | H | 86.6 | Confident | 92.8 | Very high | 168 Ų | 168 | 43.7 Ų | 43.7 | 78% | 0.778 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | 10.7 | -174.2 | -64.5 | -76.6 | 0 | 0 | 0 | 113.6 | S94 | S94-H96 VanDerWaalsContact C-N 3.3Š|
| 97 | L | 91.8 | Very high | 93 | Very high | 18 Ų | 18 | 39.3 Ų | 39.3 | 9% | 0.094 | 20% | 0.198 | C | C | . | . | trans | -78.7 | 130.1 | 179.6 | -58.8 | -179.5 | 0 | 0 | 0 | 110.5 | Y64 M92 L101 I102 | Y64-L97 HydrophobicContact CD1-CD2 4.25Å; Y64-L97 HydrophobicContact CE1-CD2 3.38Å; Y64-L97 HydrophobicContact CE2-CD2 4.15Å; Y64-L97 VanDerWaalsContact OH-CD2 3.25Å; Y64-L97 WeakPolarHBondContact OH-CD2 3.27Å; M92-L97 HydrophobicContact SD-CD1 4.2Å; L97-L101 HydrophobicContact CD2-CD2 4.09Å; L97-I102 HydrophobicContact CB-CD1 3.77Å; L97-I102 HydrophobicContact CB-CG1 3.84Å; L97-I102 HydrophobicContact CD1-CG1 4.2Å | ||
| 98 | P | 94.4 | Very high | 93.2 | Very high | 52 Ų | 52 | 39 Ų | 39 | 34% | 0.338 | 20% | 0.195 | S | C | . | . | trans | -69.5 | 148.4 | 175.2 | 29.6 | -34.2 | 0 | 0 | 0 | 110.8 | Y100 L101 I102 | P98-Y100 VanDerWaalsContact C-N 3.29Å; P98-Y100 HydrophobicContact CB-CD1 3.65Å; P98-Y100 HydrophobicContact CB-CE1 3.39Å; P98-Y100 HydrophobicContact CG-CD1 3.91Å; P98-Y100 HydrophobicContact CG-CE1 3.28Å; P98-Y100 PolarHBondContact O-N 3.15Å; P98-L101 HydrophobicContact CG-CB 3.86Å; P98-L101 HydrophobicContact CG-CD2 4.39Å; P98-L101 WeakPolarHBondContact O-CB 3.42Å; P98-L101 PolarHBondContact O-N 3.28Å; P98-I102 PolarHBondContact O-N 2.99Å | ||
| 99 | V | 94.8 | Very high | 93.3 | Very high | 49 Ų | 49 | 39 Ų | 39 | 30% | 0.297 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -57.7 | -39.4 | -173.9 | -177.7 | 0 | 0 | 0 | 0 | 112.4 | L101 I102 A103 F140 M170 | V99-L101 PolarHBondContact O-N 2.95Å; V99-I102 PolarHBondContact O-N 2.78Å; V99-A103 WeakPolarHBondContact O-CB 3.12Å; V99-A103 PolarHBondContact O-N 3.39Å; V99-F140 HydrophobicContact CG1-CE1 4.02Å; V99-M170 HydrophobicContact CG1-CE 3.97Å; V99-M170 HydrophobicContact CG1-SD 4.07Å |
| 100 | Y | 95.1 | Very high | 93.5 | Very high | 101 Ų | 101 | 38.4 Ų | 38.4 | 40% | 0.396 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -60.4 | -35.9 | 179.1 | 76.9 | -96.7 | 0 | 0 | 0 | 112.7 | P98 A104 A165 S169 M170 | P98-Y100 VanDerWaalsContact C-N 3.29Å; P98-Y100 HydrophobicContact CB-CD1 3.65Å; P98-Y100 HydrophobicContact CB-CE1 3.39Å; P98-Y100 HydrophobicContact CG-CD1 3.91Å; P98-Y100 HydrophobicContact CG-CE1 3.28Å; P98-Y100 PolarHBondContact O-N 3.15Å; Y100-A104 WeakPolarHBondContact O-CB 3.4Å; Y100-A104 PolarHBondContact O-N 3.01Å; Y100-A165 HydrophobicContact CD2-CB 4.16Å; Y100-A165 HydrophobicContact CE2-CB 3.72Å; Y100-S169 PolarHBondContact O-OG 3Å; Y100-S169 VanDerWaalsContact O-OG 3.1Å; Y100-M170 WeakPolarHBondContact CA-SD 3.4Å |
| 101 | L | 95.9 | Very high | 93.7 | Very high | 7 Ų | 7 | 37.9 Ų | 37.9 | 4% | 0.037 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69.9 | -50.3 | -178.6 | -176.3 | 65.1 | 0 | 0 | 0 | 109.3 | Y64 L97 P98 V99 A103 A104 F105 P164 | Y64-L101 HydrophobicContact CD1-CD2 3.84Å; Y64-L101 HydrophobicContact CD2-CD2 4.17Å; Y64-L101 HydrophobicContact CE1-CD2 4.38Å; Y64-L101 HydrophobicContact CG-CD2 3.72Å; L97-L101 HydrophobicContact CD2-CD2 4.09Å; P98-L101 HydrophobicContact CG-CB 3.86Å; P98-L101 HydrophobicContact CG-CD2 4.39Å; P98-L101 WeakPolarHBondContact O-CB 3.42Å; P98-L101 PolarHBondContact O-N 3.28Å; V99-L101 PolarHBondContact O-N 2.95Å; L101-A103 VanDerWaalsContact C-N 3.28Å; L101-A103 PolarHBondContact O-N 3.38Å; L101-A104 WeakPolarHBondContact O-CB 3.28Å; L101-A104 PolarHBondContact O-N 2.99Å; L101-A104 VanDerWaalsContact O-N 3.08Å; L101-F105 HydrophobicContact CD1-CD2 4.1Å; L101-F105 HydrophobicContact CD1-CE2 3.71Å; L101-F105 HydrophobicContact CG-CD2 4.06Å; L101-F105 HydrophobicContact CG-CE2 3.95Å; L101-F105 VanDerWaalsContact O-CD2 3.26Å; L101-F105 WeakPolarHBondContact O-CD2 3.42Å; L101-F105 PolarHBondContact O-N 3.43Å; L101-P164 HydrophobicContact CD1-CB 3.59Å; L101-P164 HydrophobicContact CD1-CG 3.41Å; L101-P164 VanDerWaalsContact CD1-CG 3.41Å |
| 102 | I | 95.9 | Very high | 93.9 | Very high | 4 Ų | 4 | 37.4 Ų | 37.4 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.1 | -43.6 | 177.2 | -62.9 | 155.4 | 0 | 0 | 0 | 110.6 | M92 L97 P98 V99 A104 F105 I106 H135 C138 | M92-I102 HydrophobicContact CE-CB 4.13Å; M92-I102 HydrophobicContact CE-CG1 4.05Å; M92-I102 HydrophobicContact CE-CG2 3.75Å; L97-I102 HydrophobicContact CB-CD1 3.77Å; L97-I102 HydrophobicContact CB-CG1 3.84Å; L97-I102 HydrophobicContact CD1-CG1 4.2Å; P98-I102 PolarHBondContact O-N 2.99Å; V99-I102 PolarHBondContact O-N 2.78Å; I102-A104 VanDerWaalsContact C-N 3.32Å; I102-A104 PolarHBondContact O-N 2.99Å; I102-F105 PolarHBondContact O-N 3.2Å; I102-I106 HydrophobicContact CG2-CD1 3.74Å; I102-I106 HydrophobicContact CG2-CG1 4.35Å; I102-I106 WeakPolarHBondContact O-CG1 3.43Å; I102-I106 PolarHBondContact O-N 2.9Å; I102-H135 HydrophobicContact CD1-CB 4.21Å; I102-H135 WeakPolarHBondContact CD1-ND1 3.41Å; I102-H135 HydrophobicContact CG2-CB 4.13Å; I102-C138 HydrophobicContact CG2-CB 4.45Å; I102-C138 WeakPolarHBondContact CG2-SG 3.34Å |
| 103 | A | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60 | -40.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V99 L101 I106 K107 F140 L141 M170 | V99-A103 WeakPolarHBondContact O-CB 3.12Å; V99-A103 PolarHBondContact O-N 3.39Å; L101-A103 VanDerWaalsContact C-N 3.28Å; L101-A103 PolarHBondContact O-N 3.38Å; A103-I106 PolarHBondContact O-N 3.44Å; A103-K107 VanDerWaalsContact O-CB 3.27Å; A103-K107 WeakPolarHBondContact O-CB 3.3Å; A103-K107 PolarHBondContact O-N 3.44Å; A103-F140 HydrophobicContact CB-CZ 4.26Å; A103-L141 HydrophobicContact CB-CD1 3.97Å; A103-M170 HydrophobicContact CB-SD 3.98Å |
| 104 | A | 97 | Very high | 94.3 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.8 | -46.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y68 Y100 L101 I102 K107 R108 P164 C167 S169 | Y68-A104 HydrophobicContact CD2-CB 4.39Å; Y68-A104 HydrophobicContact CE2-CB 3.82Å; Y100-A104 WeakPolarHBondContact O-CB 3.4Å; Y100-A104 PolarHBondContact O-N 3.01Å; L101-A104 WeakPolarHBondContact O-CB 3.28Å; L101-A104 PolarHBondContact O-N 2.99Å; L101-A104 VanDerWaalsContact O-N 3.08Å; I102-A104 VanDerWaalsContact C-N 3.32Å; I102-A104 PolarHBondContact O-N 2.99Å; A104-K107 PolarHBondContact O-N 3.42Å; A104-R108 VanDerWaalsContact O-CB 3.31Å; A104-R108 WeakPolarHBondContact O-CB 3.4Å; A104-R108 PolarHBondContact O-N 3.46Å; A104-P164 HydrophobicContact CB-CB 3.75Å; A104-C167 WeakPolarHBondContact CB-SG 3.09Å; A104-S169 VanDerWaalsContact CA-CB 3.5Å; A104-S169 PolarHBondContact N-OG 3.43Å |
| 105 | F | 96.8 | Very high | 94.6 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 0% | 0.004 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.4 | -47.9 | 176.4 | -86.4 | -80.9 | 0 | 0 | 0 | 112.6 | V67 Y68 L71 L88 M92 L101 I102 K107 L109 W131 | V67-F105 HydrophobicContact CB-CE1 4.5Å; V67-F105 HydrophobicContact CB-CZ 4.26Å; V67-F105 HydrophobicContact CG1-CE1 3.9Å; V67-F105 HydrophobicContact CG1-CZ 4.08Å; Y68-F105 HydrophobicContact CD2-CE1 4.44Å; Y68-F105 HydrophobicContact CD2-CZ 4.44Å; L71-F105 HydrophobicContact CD1-CD1 3.42Å; L71-F105 VanDerWaalsContact CD1-CD1 3.42Å; L71-F105 HydrophobicContact CD1-CE1 3.71Å; L88-F105 HydrophobicContact CD1-CD1 4.32Å; L88-F105 HydrophobicContact CD1-CE1 4.11Å; M92-F105 HydrophobicContact CE-CB 3.92Å; M92-F105 HydrophobicContact CE-CG 4.41Å; M92-F105 HydrophobicContact SD-CB 4.17Å; M92-F105 HydrophobicContact SD-CD1 4.47Å; M92-F105 HydrophobicContact SD-CD2 4.2Å; M92-F105 HydrophobicContact SD-CG 4.02Å; L101-F105 HydrophobicContact CD1-CD2 4.1Å; L101-F105 HydrophobicContact CD1-CE2 3.71Å; L101-F105 HydrophobicContact CG-CD2 4.06Å; L101-F105 HydrophobicContact CG-CE2 3.95Å; L101-F105 VanDerWaalsContact O-CD2 3.26Å; L101-F105 WeakPolarHBondContact O-CD2 3.42Å; L101-F105 PolarHBondContact O-N 3.43Å; I102-F105 PolarHBondContact O-N 3.2Å; F105-K107 PolarHBondContact O-N 3.4Å; F105-L109 WeakPolarHBondContact O-CB 3.32Å; F105-L109 PolarHBondContact O-N 3.48Å; F105-W131 HydrophobicContact CB-CZ3 4.37Å |
| 106 | I | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.9 | -48.5 | 177 | -70.9 | 167.6 | 0 | 0 | 0 | 110.3 | I102 A103 L109 S110 I128 W131 L132 C138 L141 L174 | I102-I106 HydrophobicContact CG2-CD1 3.74Å; I102-I106 HydrophobicContact CG2-CG1 4.35Å; I102-I106 WeakPolarHBondContact O-CG1 3.43Å; I102-I106 PolarHBondContact O-N 2.9Å; A103-I106 PolarHBondContact O-N 3.44Å; I106-L109 PolarHBondContact O-N 3.26Å; I106-S110 WeakPolarHBondContact O-CB 3.4Å; I106-S110 PolarHBondContact O-N 3.43Å; I106-S110 PolarHBondContact O-OG 3.3Å; I106-I128 HydrophobicContact CG2-CG2 3.89Å; I106-W131 HydrophobicContact CD1-CB 4.19Å; I106-W131 HydrophobicContact CG1-CB 4.16Å; I106-W131 HydrophobicContact CG1-CE3 3.81Å; I106-L132 HydrophobicContact CD1-CD2 3.91Å; I106-L132 HydrophobicContact CD1-CG 4.28Å; I106-C138 HydrophobicContact CD1-CB 3.92Å; I106-L141 HydrophobicContact CB-CD1 4.31Å; I106-L141 HydrophobicContact CD1-CD1 4.47Å; I106-L141 HydrophobicContact CG2-CD1 4.05Å; I106-L174 HydrophobicContact CG2-CD1 3.83Å; I106-L174 HydrophobicContact CG2-CD2 3.88Å |
| 107 | K | 96.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.7 | -42.6 | -177.2 | -177.6 | 60.9 | 171.4 | -175.7 | 0 | 112.2 | A103 A104 F105 L109 S110 R111 D155 Y157 T172 S173 L174 E176 | A103-K107 VanDerWaalsContact O-CB 3.27Å; A103-K107 WeakPolarHBondContact O-CB 3.3Å; A103-K107 PolarHBondContact O-N 3.44Å; A104-K107 PolarHBondContact O-N 3.42Å; F105-K107 PolarHBondContact O-N 3.4Å; K107-L109 PolarHBondContact O-N 2.99Å; K107-S110 CarbonylContact O-C 3.59Å; K107-S110 WeakPolarHBondContact O-CB 3.31Å; K107-S110 PolarHBondContact O-N 2.92Å; K107-R111 PolarHBondContact O-N 3.08Å; K107-D155 IonicContact NZ-OD2 2.76Å; K107-D155 PolarHBondContact NZ-OD2 3.11Å; K107-D155 VanDerWaalsContact NZ-OD2 3.12Å; K107-Y157 HydrophobicContact CB-CD2 4.33Å; K107-Y157 HydrophobicContact CB-CE2 4.04Å; K107-Y157 HydrophobicContact CD-CD1 4.32Å; K107-Y157 HydrophobicContact CD-CG 4.32Å; K107-Y157 HydrophobicContact CG-CD1 3.73Å; K107-Y157 HydrophobicContact CG-CD2 3.48Å; K107-Y157 VanDerWaalsContact CG-CD2 3.48Å; K107-Y157 HydrophobicContact CG-CE1 3.74Å; K107-Y157 HydrophobicContact CG-CE2 3.52Å; K107-Y157 HydrophobicContact CG-CG 3.6Å; K107-T172 HydrophobicContact CB-CG2 4.37Å; K107-T172 HydrophobicContact CD-CG2 3.7Å; K107-T172 WeakPolarHBondContact CE-OG1 3.48Å; K107-T172 HydrophobicContact CG-CG2 3.81Å; K107-T172 PolarHBondContact NZ-OG1 3.08Å; K107-T172 VanDerWaalsContact NZ-OG1 3.11Å; K107-S173 PolarHBondContact NZ-O 3.19Å; K107-L174 HydrophobicContact CD-CD2 4.16Å; K107-E176 VanDerWaalsContact CE-OE1 3.27Å; K107-E176 WeakPolarHBondContact CE-OE1 3.28Å; K107-E176 VanDerWaalsContact NZ-CD 3.26Å; K107-E176 IonicContact NZ-OE1 3.07Å; K107-E176 PolarHBondContact NZ-OE1 3.12Å; K107-E176 IonicContact NZ-OE2 2.78Å; K107-E176 PolarHBondContact NZ-OE2 2.93Å |
| 108 | R | 96.4 | Very high | 95.4 | Very high | 17 Ų | 17 | 29.5 Ų | 29.5 | 6% | 0.064 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.5 | -44.5 | 176.7 | -171.5 | 159.8 | -179 | 163.5 | -0.1 | 111.4 | Y68 N69 L71 A104 S110 R111 L112 Y157 F159 | Y68-R108 HydrophobicContact CD2-CB 4.42Å; Y68-R108 HydrophobicContact CE2-CB 3.65Å; Y68-R108 HydrophobicContact CE2-CG 4.06Å; Y68-R108 WeakPolarHBondContact O-CD 3.5Å; Y68-R108 PolarHBondContact O-NE 3.38Å; Y68-R108 VanDerWaalsContact O-NE 3.13Å; Y68-R108 PolarHBondContact O-NH1 2.91Å; Y68-R108 VanDerWaalsContact O-NH1 3.1Å; N69-R108 PolarHBondContact O-NH2 3.09Å; N69-R108 PolarHBondContact OD1-NH1 2.92Å; N69-R108 VanDerWaalsContact OD1-NH1 3.12Å; L71-R108 HydrophobicContact CB-CG 4.05Å; L71-R108 PolarHBondContact O-NE 2.87Å; L71-R108 PolarHBondContact O-NH2 3Å; A104-R108 VanDerWaalsContact O-CB 3.31Å; A104-R108 WeakPolarHBondContact O-CB 3.4Å; A104-R108 PolarHBondContact O-N 3.46Å; R108-S110 VanDerWaalsContact C-N 3.32Å; R108-S110 PolarHBondContact O-N 3.49Å; R108-R111 PolarHBondContact O-N 3.41Å; R108-L112 WeakPolarHBondContact O-CG 3.2Å; R108-L112 PolarHBondContact O-N 3.42Å; R108-Y157 WeakPolarHBondContact CA-OH 3.22Å; R108-Y157 WeakPolarHBondContact CB-OH 3.39Å; R108-F159 HydrophobicContact CG-CE2 4.12Å |
| 109 | L | 96 | Very high | 95.1 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.9 | -37.1 | 175.5 | -166.4 | 63.3 | 0 | 0 | 0 | 112 | F105 I106 K107 L112 L113 F124 L127 I128 W131 | F105-L109 WeakPolarHBondContact O-CB 3.32Å; F105-L109 PolarHBondContact O-N 3.48Å; I106-L109 PolarHBondContact O-N 3.26Å; K107-L109 PolarHBondContact O-N 2.99Å; L109-L112 PolarHBondContact O-N 3.34Å; L109-L113 PolarHBondContact O-N 2.9Å; L109-F124 HydrophobicContact CD1-CB 4.44Å; L109-F124 HydrophobicContact CD1-CD1 3.86Å; L109-F124 HydrophobicContact CD1-CD2 3.63Å; L109-F124 HydrophobicContact CD1-CE1 3.91Å; L109-F124 HydrophobicContact CD1-CE2 3.65Å; L109-F124 HydrophobicContact CD1-CG 3.73Å; L109-F124 HydrophobicContact CD1-CZ 3.81Å; L109-F124 HydrophobicContact CD2-CB 4.43Å; L109-F124 HydrophobicContact CD2-CG 4.47Å; L109-F124 HydrophobicContact CG-CB 4.23Å; L109-F124 HydrophobicContact CG-CD1 4.49Å; L109-F124 HydrophobicContact CG-CD2 4.13Å; L109-F124 HydrophobicContact CG-CG 4.06Å; L109-L127 HydrophobicContact CD2-CB 4.08Å; L109-L127 HydrophobicContact CD2-CD1 4.27Å; L109-I128 HydrophobicContact CB-CD1 4.41Å; L109-I128 HydrophobicContact CB-CG1 4.41Å; L109-I128 HydrophobicContact CD2-CD1 4.34Å; L109-I128 HydrophobicContact CD2-CG1 3.87Å; L109-I128 HydrophobicContact CG-CD1 4.24Å; L109-I128 HydrophobicContact CG-CG1 4.26Å; L109-W131 HydrophobicContact CB-CZ3 4.37Å; L109-W131 HydrophobicContact CD2-CE3 4.43Å; L109-W131 HydrophobicContact CD2-CH2 3.64Å; L109-W131 HydrophobicContact CD2-CZ3 3.56Å |
| 110 | S | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.9 | -36.6 | 175 | -57.7 | 0 | 0 | 0 | 0 | 112.3 | I106 K107 R108 L113 I128 E176 | I106-S110 WeakPolarHBondContact O-CB 3.4Å; I106-S110 PolarHBondContact O-N 3.43Å; I106-S110 PolarHBondContact O-OG 3.3Å; K107-S110 CarbonylContact O-C 3.59Å; K107-S110 WeakPolarHBondContact O-CB 3.31Å; K107-S110 PolarHBondContact O-N 2.92Å; R108-S110 VanDerWaalsContact C-N 3.32Å; R108-S110 PolarHBondContact O-N 3.49Å; S110-L113 WeakPolarHBondContact O-CB 3.45Å; S110-L113 PolarHBondContact O-N 3.1Å; S110-I128 WeakPolarHBondContact OG-CD1 3.31Å; S110-E176 WeakPolarHBondContact O-CB 3.25Å |
| 111 | R | 95.9 | Very high | 94.9 | Very high | 75 Ų | 75 | 22.5 Ų | 22.5 | 28% | 0.283 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -68.9 | -40 | 173.9 | -169.1 | 63.7 | 62.5 | 115 | 4.2 | 111.9 | K107 R108 L113 L114 D155 F159 E176 | K107-R111 PolarHBondContact O-N 3.08Å; R108-R111 PolarHBondContact O-N 3.41Å; R111-L113 PolarHBondContact O-N 3.27Å; R111-L114 PolarHBondContact O-N 3.11Å; R111-D155 IonicContact CZ-OD2 3.3Å; R111-D155 IonicContact NH2-OD2 3.22Å; R111-D155 PolarHBondContact NH2-OD2 3.28Å; R111-F159 HydrophobicContact CB-CD2 3.85Å; R111-F159 HydrophobicContact CB-CE2 3.9Å; R111-F159 HydrophobicContact CG-CD2 3.59Å; R111-F159 HydrophobicContact CG-CE2 3.81Å; R111-F159 HydrophobicContact CG-CG 4.2Å; R111-E176 IonicContact CZ-OE1 2.78Å; R111-E176 VanDerWaalsContact CZ-OE1 3.3Å; R111-E176 IonicContact NE-OE1 3.64Å; R111-E176 PolarHBondContact NE-OE1 3.42Å; R111-E176 IonicContact NH2-OE1 3.82Å; R111-E176 PolarHBondContact NH2-OE1 3.38Å |
| 112 | L | 96 | Very high | 94.8 | Very high | 3 Ų | 3 | 24.6 Ų | 24.6 | 2% | 0.016 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -63.8 | -30.6 | 174.2 | -69.3 | 174.1 | 0 | 0 | 0 | 112.8 | L71 F76 R108 L109 L114 L115 A116 F124 F159 | L71-L112 HydrophobicContact CB-CD1 4.04Å; F76-L112 HydrophobicContact CZ-CB 4.38Å; F76-L112 WeakPolarHBondContact CZ-O 3.26Å; R108-L112 WeakPolarHBondContact O-CG 3.2Å; R108-L112 PolarHBondContact O-N 3.42Å; L109-L112 PolarHBondContact O-N 3.34Å; L112-L114 PolarHBondContact O-N 3.36Å; L112-L115 PolarHBondContact O-N 2.89Å; L112-A116 PolarHBondContact O-N 3.43Å; L112-F124 HydrophobicContact CB-CE2 4.14Å; L112-F159 HydrophobicContact CD2-CE2 4.43Å; L112-F159 HydrophobicContact CD2-CZ 4Å; L112-F159 HydrophobicContact CG-CE2 4.5Å |
| 113 | L | 95.7 | Very high | 94.6 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -55 | -34.2 | 178 | -176.6 | 60.7 | 0 | 0 | 0 | 112.9 | L109 S110 R111 L115 A116 C121 F124 L125 I177 M180 | L109-L113 PolarHBondContact O-N 2.9Å; S110-L113 WeakPolarHBondContact O-CB 3.45Å; S110-L113 PolarHBondContact O-N 3.1Å; R111-L113 PolarHBondContact O-N 3.27Å; L113-L115 PolarHBondContact O-N 3.43Å; L113-A116 PolarHBondContact O-N 3.26Å; L113-C121 HydrophobicContact CD1-CB 3.78Å; L113-F124 HydrophobicContact CD1-CB 4.02Å; L113-L125 HydrophobicContact CD1-CG 4.18Å; L113-L125 HydrophobicContact CD2-CD2 3.63Å; L113-L125 HydrophobicContact CD2-CG 4Å; L113-I177 HydrophobicContact CD2-CG1 4.18Å; L113-M180 HydrophobicContact CD1-CE 4.32Å; L113-M180 HydrophobicContact CD2-CG 3.56Å; L113-M180 HydrophobicContact CD2-SD 4.46Å; L113-M180 HydrophobicContact CG-CE 4.27Å; L113-M180 HydrophobicContact CG-CG 3.75Å; L113-M180 HydrophobicContact CG-SD 3.98Å |
| 114 | L | 95 | Very high | 94.6 | Very high | 79 Ų | 79 | 25.2 Ų | 25.2 | 41% | 0.414 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -23.7 | 179.1 | -63.9 | -178.5 | 0 | 0 | 0 | 113.7 | R111 L112 E176 T179 M180 | R111-L114 PolarHBondContact O-N 3.11Å; L112-L114 PolarHBondContact O-N 3.36Å; L114-E176 HydrophobicContact CD1-CB 4.24Å; L114-E176 HydrophobicContact CD1-CG 3.68Å; L114-E176 HydrophobicContact CD2-CB 4.04Å; L114-E176 HydrophobicContact CD2-CG 4.41Å; L114-E176 HydrophobicContact CG-CB 3.99Å; L114-E176 HydrophobicContact CG-CG 3.95Å; L114-T179 HydrophobicContact CD2-CG2 4.25Å; L114-M180 HydrophobicContact CD2-SD 4.31Å |
| 115 | L | 94.8 | Very high | 94.5 | Very high | 127 Ų | 127 | 25.3 Ų | 25.3 | 67% | 0.665 | 13% | 0.134 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.2 | -5.3 | -179.3 | -58 | 177.9 | 0 | 0 | 0 | 112.4 | F76 L112 L113 | F76-L115 HydrophobicContact CE2-CB 4.15Å; L112-L115 PolarHBondContact O-N 2.89Å; L113-L115 PolarHBondContact O-N 3.43Å |
| 116 | A | 93.5 | Very high | 94.4 | Very high | 13 Ų | 13 | 25.3 Ų | 25.3 | 11% | 0.107 | 13% | 0.134 | C | C | . | . | trans | -77.1 | 144.4 | -169.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F76 L112 L113 C120 C121 F124 | F76-A116 HydrophobicContact CD1-CB 4.27Å; F76-A116 HydrophobicContact CE1-CB 3.49Å; F76-A116 VanDerWaalsContact CE1-CB 3.49Å; F76-A116 HydrophobicContact CZ-CB 3.66Å; L112-A116 PolarHBondContact O-N 3.43Å; L113-A116 PolarHBondContact O-N 3.26Å; A116-C120 HydrophobicContact CB-CB 3.97Å; A116-C121 PolarHBondContact O-SG 3.32Å; A116-F124 HydrophobicContact CB-CD2 4.44Å; A116-F124 HydrophobicContact CB-CE2 4.4Å | ||
| 117 | P | 93 | Very high | 94.2 | Very high | 60 Ų | 60 | 25.3 Ų | 25.3 | 39% | 0.39 | 13% | 0.134 | S | C | . | . | trans | -67.2 | 154.6 | 166.5 | 28.2 | -32.8 | 0 | 0 | 0 | 110.3 | F76 D119 C120 C121 | F76-P117 HydrophobicContact CB-CG 4.31Å; F76-P117 HydrophobicContact CG-CG 4.47Å; P117-D119 PolarHBondContact O-N 3.1Å; P117-C120 HydrophobicContact CG-CB 4.06Å; P117-C120 WeakPolarHBondContact O-CA 3.48Å; P117-C120 WeakPolarHBondContact O-CB 3.4Å; P117-C120 PolarHBondContact O-N 3.13Å; P117-C121 PolarHBondContact O-N 3.09Å; P117-C121 PolarHBondContact O-SG 3.2Å; P117-C121 VanDerWaalsContact O-SG 3.37Å | ||
| 118 | V | 91.9 | Very high | 94.2 | Very high | 31 Ų | 31 | 25.3 Ų | 25.3 | 19% | 0.188 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -49.9 | -39.5 | -172.4 | -180 | 0 | 0 | 0 | 0 | 114.3 | C120 C121 L122 Y184 V188 | V118-C120 VanDerWaalsContact C-N 3.32Å; V118-C120 PolarHBondContact O-N 3.3Å; V118-C121 WeakPolarHBondContact O-CB 3.33Å; V118-C121 PolarHBondContact O-N 3.36Å; V118-L122 PolarHBondContact O-N 3.47Å; V118-Y184 HydrophobicContact CG2-CE1 3.95Å; V118-Y184 HydrophobicContact CG2-CE2 4.43Å; V118-Y184 WeakPolarHBondContact CG2-OH 3.23Å; V118-V188 HydrophobicContact CG1-CG2 3.85Å |
| 119 | D | 87.5 | Confident | 94.1 | Very high | 52 Ų | 52 | 26 Ų | 26 | 28% | 0.278 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -63.8 | -37.9 | 178.6 | -65.8 | -52.2 | 0 | 0 | 0 | 113 | P117 T123 R214 | P117-D119 PolarHBondContact O-N 3.1Å; D119-T123 PolarHBondContact O-OG1 3.12Å; D119-R214 VanDerWaalsContact CG-NH2 3.3Å; D119-R214 IonicContact OD1-CZ 2.57Å; D119-R214 VanDerWaalsContact OD1-CZ 3.29Å; D119-R214 IonicContact OD1-NH1 3.16Å; D119-R214 IonicContact OD1-NH2 3.26Å; D119-R214 PolarHBondContact OD1-NH2 3.48Å; D119-R214 IonicContact OD2-CZ 3.29Å; D119-R214 IonicContact OD2-NH1 3.59Å; D119-R214 PolarHBondContact OD2-NH1 3.12Å; D119-R214 IonicContact OD2-NH2 2.65Å; D119-R214 PolarHBondContact OD2-NH2 3.17Å |
| 120 | C | 92.3 | Very high | 94.1 | Very high | 3 Ų | 3 | 26.2 Ų | 26.2 | 2% | 0.02 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -73.2 | -36.8 | 175.4 | -69.5 | 0 | 0 | 0 | 0 | 110.7 | F76 A116 P117 V118 L122 T123 F124 | F76-C120 HydrophobicContact CD1-CB 4.12Å; F76-C120 HydrophobicContact CE1-CB 4.36Å; A116-C120 HydrophobicContact CB-CB 3.97Å; P117-C120 HydrophobicContact CG-CB 4.06Å; P117-C120 WeakPolarHBondContact O-CA 3.48Å; P117-C120 WeakPolarHBondContact O-CB 3.4Å; P117-C120 PolarHBondContact O-N 3.13Å; V118-C120 VanDerWaalsContact C-N 3.32Å; V118-C120 PolarHBondContact O-N 3.3Å; C120-L122 VanDerWaalsContact C-N 3.35Å; C120-L122 PolarHBondContact O-N 3.4Å; C120-T123 WeakPolarHBondContact O-CB 3.27Å; C120-T123 PolarHBondContact O-N 3.37Å; C120-T123 VanDerWaalsContact O-N 3.09Å; C120-F124 WeakPolarHBondContact O-CB 3.31Å; C120-F124 WeakPolarHBondContact O-CG 3.32Å; C120-F124 PolarHBondContact O-N 3.07Å |
| 121 | C | 93.9 | Very high | 94 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -55.8 | -47.4 | 178.4 | -59.8 | 0 | 0 | 0 | 0 | 112.6 | L113 A116 P117 V118 T123 F124 L125 M180 V188 | L113-C121 HydrophobicContact CD1-CB 3.78Å; A116-C121 PolarHBondContact O-SG 3.32Å; P117-C121 PolarHBondContact O-N 3.09Å; P117-C121 PolarHBondContact O-SG 3.2Å; P117-C121 VanDerWaalsContact O-SG 3.37Å; V118-C121 WeakPolarHBondContact O-CB 3.33Å; V118-C121 PolarHBondContact O-N 3.36Å; C121-T123 VanDerWaalsContact C-N 3.26Å; C121-T123 PolarHBondContact O-N 3.17Å; C121-F124 PolarHBondContact O-N 3.37Å; C121-L125 WeakPolarHBondContact O-CB 3.49Å; C121-L125 VanDerWaalsContact O-CG 3.3Å; C121-L125 WeakPolarHBondContact O-CG 3.4Å; C121-L125 PolarHBondContact O-N 3.25Å; C121-M180 HydrophobicContact CB-CE 4.22Å; C121-V188 HydrophobicContact CB-CG1 4.22Å; C121-V188 HydrophobicContact CB-CG2 4.1Å |
| 122 | L | 93 | Very high | 93.9 | Very high | 50 Ų | 50 | 22.7 Ų | 22.7 | 26% | 0.262 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -61.3 | -38 | 178.8 | -63.2 | 177.4 | 0 | 0 | 0 | 112.2 | V118 C120 G126 K187 V188 | V118-L122 PolarHBondContact O-N 3.47Å; C120-L122 VanDerWaalsContact C-N 3.35Å; C120-L122 PolarHBondContact O-N 3.4Å; L122-G126 PolarHBondContact O-N 2.76Å; L122-G126 VanDerWaalsContact O-N 3.17Å; L122-K187 HydrophobicContact CD1-CB 4.42Å; L122-K187 HydrophobicContact CD2-CB 3.98Å; L122-V188 HydrophobicContact CD2-CG2 3.95Å; L122-V188 HydrophobicContact CG-CG2 4.4Å |
| 123 | T | 92.7 | Very high | 93.9 | Very high | 18 Ų | 18 | 23.4 Ų | 23.4 | 11% | 0.11 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -69.6 | -46.9 | 179.3 | -59.8 | 0 | 0 | 0 | 0 | 111.3 | L85 D119 C120 C121 G126 L127 F206 L208 | L85-T123 HydrophobicContact CD1-CG2 3.68Å; D119-T123 PolarHBondContact O-OG1 3.12Å; C120-T123 WeakPolarHBondContact O-CB 3.27Å; C120-T123 PolarHBondContact O-N 3.37Å; C120-T123 VanDerWaalsContact O-N 3.09Å; C121-T123 VanDerWaalsContact C-N 3.26Å; C121-T123 PolarHBondContact O-N 3.17Å; T123-G126 PolarHBondContact O-N 2.89Å; T123-L127 HydrophobicContact CG2-CD1 4.23Å; T123-L127 PolarHBondContact O-N 3.26Å; T123-F206 HydrophobicContact CG2-CE2 4.34Å; T123-L208 HydrophobicContact CG2-CD2 3.19Å; T123-L208 HydrophobicContact CG2-CG 4.36Å |
| 124 | F | 94.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.8 | -43 | -178.2 | -72.6 | 6.2 | 0 | 0 | 0 | 111.5 | I75 F76 L85 L109 L112 L113 A116 C120 C121 G126 L127 I128 | I75-F124 HydrophobicContact CG2-CZ 4.2Å; F76-F124 HydrophobicContact CD1-CZ 4.41Å; F76-F124 AromaticContact CE1-CE2 3.61Å; F76-F124 HydrophobicContact CE1-CE2 3.61Å; F76-F124 AromaticContact CE1-CZ 3.84Å; F76-F124 HydrophobicContact CE1-CZ 3.84Å; F76-F124 HydrophobicContact CZ-CE2 4.36Å; L85-F124 HydrophobicContact CD1-CE1 3.98Å; L85-F124 HydrophobicContact CD2-CE1 3.95Å; L109-F124 HydrophobicContact CD1-CB 4.44Å; L109-F124 HydrophobicContact CD1-CD1 3.86Å; L109-F124 HydrophobicContact CD1-CD2 3.63Å; L109-F124 HydrophobicContact CD1-CE1 3.91Å; L109-F124 HydrophobicContact CD1-CE2 3.65Å; L109-F124 HydrophobicContact CD1-CG 3.73Å; L109-F124 HydrophobicContact CD1-CZ 3.81Å; L109-F124 HydrophobicContact CD2-CB 4.43Å; L109-F124 HydrophobicContact CD2-CG 4.47Å; L109-F124 HydrophobicContact CG-CB 4.23Å; L109-F124 HydrophobicContact CG-CD1 4.49Å; L109-F124 HydrophobicContact CG-CD2 4.13Å; L109-F124 HydrophobicContact CG-CG 4.06Å; L112-F124 HydrophobicContact CB-CE2 4.14Å; L113-F124 HydrophobicContact CD1-CB 4.02Å; A116-F124 HydrophobicContact CB-CD2 4.44Å; A116-F124 HydrophobicContact CB-CE2 4.4Å; C120-F124 WeakPolarHBondContact O-CB 3.31Å; C120-F124 WeakPolarHBondContact O-CG 3.32Å; C120-F124 PolarHBondContact O-N 3.07Å; C121-F124 PolarHBondContact O-N 3.37Å; F124-G126 VanDerWaalsContact C-N 3.28Å; F124-G126 PolarHBondContact O-N 3.49Å; F124-L127 PolarHBondContact O-N 3.38Å; F124-I128 WeakPolarHBondContact O-CB 3.36Å; F124-I128 WeakPolarHBondContact O-CD1 3.36Å; F124-I128 VanDerWaalsContact O-CG1 3.26Å; F124-I128 WeakPolarHBondContact O-CG1 3.01Å; F124-I128 PolarHBondContact O-N 2.78Å |
| 125 | L | 95.3 | Very high | 93.7 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.005 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.5 | -40.3 | 173.2 | -73.9 | 169 | 0 | 0 | 0 | 111.8 | L113 C121 R129 I177 V188 T191 A192 F194 | L113-L125 HydrophobicContact CD1-CG 4.18Å; L113-L125 HydrophobicContact CD2-CD2 3.63Å; L113-L125 HydrophobicContact CD2-CG 4Å; C121-L125 WeakPolarHBondContact O-CB 3.49Å; C121-L125 VanDerWaalsContact O-CG 3.3Å; C121-L125 WeakPolarHBondContact O-CG 3.4Å; C121-L125 PolarHBondContact O-N 3.25Å; L125-R129 VanDerWaalsContact O-CB 3.25Å; L125-R129 WeakPolarHBondContact O-CB 3.32Å; L125-R129 PolarHBondContact O-N 3.47Å; L125-I177 HydrophobicContact CD2-CG1 4.4Å; L125-I177 HydrophobicContact CD2-CG2 4.01Å; L125-V188 HydrophobicContact CD1-CG1 3.98Å; L125-T191 HydrophobicContact CB-CG2 3.7Å; L125-T191 HydrophobicContact CD1-CG2 4.16Å; L125-A192 HydrophobicContact CD1-CB 4.07Å; L125-A192 HydrophobicContact CD2-CB 4.14Å; L125-F194 HydrophobicContact CD2-CE1 4.19Å |
| 126 | G | 93.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62 | -46.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L122 T123 F124 N130 | L122-G126 PolarHBondContact O-N 2.76Å; L122-G126 VanDerWaalsContact O-N 3.17Å; T123-G126 PolarHBondContact O-N 2.89Å; F124-G126 VanDerWaalsContact C-N 3.28Å; F124-G126 PolarHBondContact O-N 3.49Å; G126-N130 PolarHBondContact O-N 2.98Å; G126-N130 VanDerWaalsContact O-N 3.08Å; G126-N130 PolarHBondContact O-OD1 3.25Å |
| 127 | L | 94.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61 | -52.6 | 175.7 | -76.6 | 166.3 | 0 | 0 | 0 | 111.6 | L85 D89 L109 T123 F124 R129 N130 W131 F206 | L85-L127 HydrophobicContact CB-CD1 4.32Å; L85-L127 HydrophobicContact CD2-CD1 3.99Å; D89-L127 HydrophobicContact CB-CD2 3.76Å; L109-L127 HydrophobicContact CD2-CB 4.08Å; L109-L127 HydrophobicContact CD2-CD1 4.27Å; T123-L127 HydrophobicContact CG2-CD1 4.23Å; T123-L127 PolarHBondContact O-N 3.26Å; F124-L127 PolarHBondContact O-N 3.38Å; L127-R129 VanDerWaalsContact C-N 3.32Å; L127-R129 PolarHBondContact O-N 3.38Å; L127-N130 PolarHBondContact O-N 3.33Å; L127-N130 VanDerWaalsContact O-N 3.15Å; L127-W131 HydrophobicContact CB-CZ2 4.17Å; L127-W131 HydrophobicContact CD2-CZ2 4.02Å; L127-W131 PolarHBondContact O-N 3.21Å; L127-F206 HydrophobicContact CB-CZ 4.47Å; L127-F206 HydrophobicContact CD2-CE1 4.46Å; L127-F206 HydrophobicContact CD2-CE2 4.15Å; L127-F206 HydrophobicContact CD2-CZ 3.51Å; L127-F206 HydrophobicContact CG-CE2 3.9Å; L127-F206 HydrophobicContact CG-CZ 3.66Å |
| 128 | I | 95.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -58.9 | -45.9 | -178.3 | -66.6 | 161.3 | 0 | 0 | 0 | 110.6 | I106 L109 S110 F124 N130 W131 L132 L174 I177 F194 | I106-I128 HydrophobicContact CG2-CG2 3.89Å; L109-I128 HydrophobicContact CB-CD1 4.41Å; L109-I128 HydrophobicContact CB-CG1 4.41Å; L109-I128 HydrophobicContact CD2-CD1 4.34Å; L109-I128 HydrophobicContact CD2-CG1 3.87Å; L109-I128 HydrophobicContact CG-CD1 4.24Å; L109-I128 HydrophobicContact CG-CG1 4.26Å; S110-I128 WeakPolarHBondContact OG-CD1 3.31Å; F124-I128 WeakPolarHBondContact O-CB 3.36Å; F124-I128 WeakPolarHBondContact O-CD1 3.36Å; F124-I128 VanDerWaalsContact O-CG1 3.26Å; F124-I128 WeakPolarHBondContact O-CG1 3.01Å; F124-I128 PolarHBondContact O-N 2.78Å; I128-N130 PolarHBondContact O-N 3.15Å; I128-W131 PolarHBondContact O-N 3.27Å; I128-L132 HydrophobicContact CG2-CD1 3.88Å; I128-L132 HydrophobicContact CG2-CG 4.36Å; I128-L132 WeakPolarHBondContact O-CG 3.42Å; I128-L132 PolarHBondContact O-N 3.33Å; I128-L174 HydrophobicContact CG2-CD1 4.47Å; I128-I177 HydrophobicContact CD1-CD1 4.31Å; I128-I177 HydrophobicContact CG2-CD1 3.71Å; I128-F194 HydrophobicContact CG2-CZ 4.32Å |
| 129 | R | 95 | Very high | 93.7 | Very high | 31 Ų | 31 | 23.3 Ų | 23.3 | 12% | 0.117 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -56.7 | -49.9 | 176.1 | -178.4 | -173 | 63.7 | -162.9 | -5.9 | 111.3 | L125 L127 W131 L132 I133 F194 L199 L204 | L125-R129 VanDerWaalsContact O-CB 3.25Å; L125-R129 WeakPolarHBondContact O-CB 3.32Å; L125-R129 PolarHBondContact O-N 3.47Å; L127-R129 VanDerWaalsContact C-N 3.32Å; L127-R129 PolarHBondContact O-N 3.38Å; R129-W131 VanDerWaalsContact C-N 3.32Å; R129-W131 PolarHBondContact O-N 2.91Å; R129-L132 PolarHBondContact O-N 3.25Å; R129-I133 HydrophobicContact CG-CD1 3.96Å; R129-I133 VanDerWaalsContact O-CG1 3.31Å; R129-I133 WeakPolarHBondContact O-CG1 3.37Å; R129-I133 PolarHBondContact O-N 3.02Å; R129-F194 HydrophobicContact CB-CD1 3.91Å; R129-F194 HydrophobicContact CB-CD2 4.39Å; R129-F194 HydrophobicContact CB-CE1 3.8Å; R129-F194 HydrophobicContact CB-CE2 4.27Å; R129-F194 HydrophobicContact CB-CG 4.25Å; R129-F194 HydrophobicContact CB-CZ 3.99Å; R129-F194 HydrophobicContact CG-CB 4.43Å; R129-F194 HydrophobicContact CG-CD1 4.07Å; R129-F194 HydrophobicContact CG-CD2 4.16Å; R129-F194 HydrophobicContact CG-CE1 4.43Å; R129-F194 HydrophobicContact CG-CE2 4.48Å; R129-F194 HydrophobicContact CG-CG 3.97Å; R129-L199 HydrophobicContact CG-CD2 4.22Å; R129-L204 VanDerWaalsContact CZ-CB 3.4Å; R129-L204 PolarHBondContact NH2-O 3.06Å |
| 130 | N | 94.3 | Very high | 93.9 | Very high | 6 Ų | 6 | 23.1 Ų | 23.1 | 3% | 0.032 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67.2 | -34.4 | -178.1 | -72.5 | 14.7 | 0 | 0 | 0 | 111.7 | G126 L127 I128 I133 R134 E203 L204 F206 | G126-N130 PolarHBondContact O-N 2.98Å; G126-N130 VanDerWaalsContact O-N 3.08Å; G126-N130 PolarHBondContact O-OD1 3.25Å; L127-N130 PolarHBondContact O-N 3.33Å; L127-N130 VanDerWaalsContact O-N 3.15Å; I128-N130 PolarHBondContact O-N 3.15Å; N130-I133 PolarHBondContact O-N 3.4Å; N130-R134 VanDerWaalsContact O-CB 3.28Å; N130-R134 WeakPolarHBondContact O-CB 3.42Å; N130-R134 PolarHBondContact O-N 3.18Å; N130-E203 HydrophobicContact CB-CG 4.22Å; N130-L204 PolarHBondContact ND2-O 2.98Å; N130-L204 VanDerWaalsContact ND2-O 3.09Å; N130-L204 PolarHBondContact OD1-N 3.48Å; N130-L204 PolarHBondContact OD1-O 3.38Å; N130-F206 WeakPolarHBondContact ND2-CE1 3.22Å |
| 131 | W | 95.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.3 | -39.3 | 173.9 | -62.6 | -11.5 | 0 | 0 | 0 | 112.6 | L88 D89 M92 F105 I106 L109 L127 I128 R129 R134 H135 | L88-W131 HydrophobicContact CD2-CH2 3.79Å; L88-W131 HydrophobicContact CD2-CZ2 4.11Å; L88-W131 HydrophobicContact CG-CH2 4.06Å; L88-W131 HydrophobicContact CG-CZ2 4Å; D89-W131 PolarHBondContact OD1-NE1 3.09Å; M92-W131 HydrophobicContact CB-CD2 4.46Å; M92-W131 HydrophobicContact CB-CZ2 4.36Å; M92-W131 HydrophobicContact CE-CD2 4.12Å; M92-W131 HydrophobicContact CE-CE3 4.18Å; M92-W131 HydrophobicContact CE-CG 4.43Å; M92-W131 HydrophobicContact CG-CD2 4.29Å; M92-W131 HydrophobicContact CG-CH2 4.3Å; M92-W131 HydrophobicContact CG-CZ2 3.76Å; F105-W131 HydrophobicContact CB-CZ3 4.37Å; I106-W131 HydrophobicContact CD1-CB 4.19Å; I106-W131 HydrophobicContact CG1-CB 4.16Å; I106-W131 HydrophobicContact CG1-CE3 3.81Å; L109-W131 HydrophobicContact CB-CZ3 4.37Å; L109-W131 HydrophobicContact CD2-CE3 4.43Å; L109-W131 HydrophobicContact CD2-CH2 3.64Å; L109-W131 HydrophobicContact CD2-CZ3 3.56Å; L127-W131 HydrophobicContact CB-CZ2 4.17Å; L127-W131 HydrophobicContact CD2-CZ2 4.02Å; L127-W131 PolarHBondContact O-N 3.21Å; I128-W131 PolarHBondContact O-N 3.27Å; R129-W131 VanDerWaalsContact C-N 3.32Å; R129-W131 PolarHBondContact O-N 2.91Å; W131-R134 PolarHBondContact O-N 3.04Å; W131-H135 WeakPolarHBondContact O-CB 3.46Å; W131-H135 PolarHBondContact O-CD2 2.92Å; W131-H135 PolarHBondContact O-N 2.95Å |
| 132 | L | 95 | Very high | 93.9 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -68.2 | -33.5 | 175 | -70.1 | 168.3 | 0 | 0 | 0 | 112.9 | I106 I128 R129 H135 C138 Q139 V142 L174 F194 L199 | I106-L132 HydrophobicContact CD1-CD2 3.91Å; I106-L132 HydrophobicContact CD1-CG 4.28Å; I128-L132 HydrophobicContact CG2-CD1 3.88Å; I128-L132 HydrophobicContact CG2-CG 4.36Å; I128-L132 WeakPolarHBondContact O-CG 3.42Å; I128-L132 PolarHBondContact O-N 3.33Å; R129-L132 PolarHBondContact O-N 3.25Å; L132-H135 CarbonylContact O-C 3.35Å; L132-C138 HydrophobicContact CD2-CB 4.27Å; L132-Q139 WeakPolarHBondContact O-CG 3.37Å; L132-Q139 PolarHBondContact O-NE2 2.89Å; L132-V142 HydrophobicContact CD1-CG2 3.81Å; L132-V142 HydrophobicContact CD2-CG2 4.46Å; L132-L174 HydrophobicContact CD1-CD1 4.09Å; L132-F194 HydrophobicContact CD1-CE2 3.88Å; L132-F194 HydrophobicContact CD1-CZ 4.35Å; L132-L199 HydrophobicContact CB-CD1 3.64Å |
| 133 | I | 94 | Very high | 93.6 | Very high | 18 Ų | 18 | 28 Ų | 28 | 9% | 0.092 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.7 | -47.1 | 172.8 | -67.8 | 164.2 | 0 | 0 | 0 | 109.9 | R129 N130 H135 L199 P200 E203 | R129-I133 HydrophobicContact CG-CD1 3.96Å; R129-I133 VanDerWaalsContact O-CG1 3.31Å; R129-I133 WeakPolarHBondContact O-CG1 3.37Å; R129-I133 PolarHBondContact O-N 3.02Å; N130-I133 PolarHBondContact O-N 3.4Å; I133-H135 PolarHBondContact O-N 3.48Å; I133-L199 HydrophobicContact CG1-CB 4.12Å; I133-L199 HydrophobicContact CG1-CD1 4.46Å; I133-L199 HydrophobicContact CG1-CD2 4.33Å; I133-P200 HydrophobicContact CD1-CG 3.81Å; I133-E203 HydrophobicContact CG2-CG 4.22Å |
| 134 | R | 92.7 | Very high | 93.2 | Very high | 48 Ų | 48 | 29.5 Ų | 29.5 | 18% | 0.181 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -68.1 | -34 | -177.4 | -168.9 | -178.2 | -57.8 | 148.3 | 2.2 | 113.1 | D89 M92 N130 W131 P136 E203 | D89-R134 PolarHBondContact O-NH1 2.96Å; D89-R134 IonicContact OD1-CZ 3.89Å; D89-R134 IonicContact OD1-NH1 2.72Å; D89-R134 PolarHBondContact OD1-NH1 3.49Å; D89-R134 IonicContact OD1-NH2 3.96Å; D89-R134 PolarHBondContact OD1-NH2 2.9Å; D89-R134 IonicContact OD2-NH2 3.12Å; M92-R134 VanDerWaalsContact C-NH1 3.3Å; M92-R134 WeakPolarHBondContact O-CD 3.49Å; M92-R134 PolarHBondContact O-NH1 3.44Å; M92-R134 VanDerWaalsContact O-NH1 3.15Å; N130-R134 VanDerWaalsContact O-CB 3.28Å; N130-R134 WeakPolarHBondContact O-CB 3.42Å; N130-R134 PolarHBondContact O-N 3.18Å; W131-R134 PolarHBondContact O-N 3.04Å; R134-P136 VanDerWaalsContact C-CD 3.5Å; R134-P136 VanDerWaalsContact O-CD 3.31Å; R134-P136 WeakPolarHBondContact O-CD 3.22Å; R134-E203 IonicContact CZ-OE1 3.02Å; R134-E203 VanDerWaalsContact CZ-OE1 3.22Å; R134-E203 IonicContact NE-OE1 3.06Å; R134-E203 PolarHBondContact NE-OE1 3.36Å; R134-E203 IonicContact NH2-OE1 3.25Å; R134-E203 PolarHBondContact NH2-OE1 3.44Å; R134-E203 IonicContact NH2-OE2 3.64Å; R134-E203 PolarHBondContact NH2-OE2 3.01Å; R134-E203 VanDerWaalsContact NH2-OE2 3.07Å |
| 135 | H | 94.1 | Very high | 92.6 | Very high | 27 Ų | 27 | 32.2 Ų | 32.2 | 13% | 0.125 | 17% | 0.173 | C | C | . | . | trans | -119.8 | 79.7 | -178.3 | -59.7 | -70.7 | 0 | 0 | 0 | 110.7 | M92 I102 W131 L132 I133 S137 C138 | M92-H135 PolarHBondContact O-NE2 3.08Å; I102-H135 HydrophobicContact CD1-CB 4.21Å; I102-H135 WeakPolarHBondContact CD1-ND1 3.41Å; I102-H135 HydrophobicContact CG2-CB 4.13Å; W131-H135 WeakPolarHBondContact O-CB 3.46Å; W131-H135 PolarHBondContact O-CD2 2.92Å; W131-H135 PolarHBondContact O-N 2.95Å; L132-H135 CarbonylContact O-C 3.35Å; I133-H135 PolarHBondContact O-N 3.48Å; H135-S137 PolarHBondContact O-N 3.46Å; H135-S137 VanDerWaalsContact O-N 3.09Å; H135-C138 PolarHBondContact O-N 3.46Å | ||
| 136 | P | 93.1 | Very high | 91.6 | Very high | 79 Ų | 79 | 36.5 Ų | 36.5 | 51% | 0.513 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -54.7 | -31 | 179.6 | -27 | 34.7 | 0 | 0 | 0 | 113.6 | R134 C138 Q139 | R134-P136 VanDerWaalsContact C-CD 3.5Å; R134-P136 VanDerWaalsContact O-CD 3.31Å; R134-P136 WeakPolarHBondContact O-CD 3.22Å; P136-C138 PolarHBondContact O-N 2.95Å; P136-Q139 VanDerWaalsContact O-CB 3.31Å; P136-Q139 WeakPolarHBondContact O-CB 3.27Å; P136-Q139 WeakPolarHBondContact O-CG 3.46Å; P136-Q139 PolarHBondContact O-N 3.16Å |
| 137 | S | 92.9 | Very high | 90.7 | Very high | 81 Ų | 81 | 45 Ų | 45 | 57% | 0.566 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -59.3 | -15 | 175.3 | -52 | 0 | 0 | 0 | 0 | 114.2 | H135 F140 | H135-S137 PolarHBondContact O-N 3.46Å; H135-S137 VanDerWaalsContact O-N 3.09Å; S137-F140 WeakPolarHBondContact O-CD1 3.48Å; S137-F140 WeakPolarHBondContact O-CE1 3.48Å |
| 138 | C | 94 | Very high | 89.7 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -98.7 | -2.2 | 175.8 | -64 | 0 | 0 | 0 | 0 | 113.5 | I102 I106 L132 H135 P136 F140 L141 | I102-C138 HydrophobicContact CG2-CB 4.45Å; I102-C138 WeakPolarHBondContact CG2-SG 3.34Å; I106-C138 HydrophobicContact CD1-CB 3.92Å; L132-C138 HydrophobicContact CD2-CB 4.27Å; H135-C138 PolarHBondContact O-N 3.46Å; P136-C138 PolarHBondContact O-N 2.95Å; C138-F140 PolarHBondContact O-N 3.34Å; C138-L141 HydrophobicContact CB-CD1 4.42Å; C138-L141 WeakPolarHBondContact O-CB 3.28Å; C138-L141 WeakPolarHBondContact O-CG 3.48Å; C138-L141 PolarHBondContact O-N 3.19Å; C138-L141 VanDerWaalsContact O-N 3.14Å |
| 139 | Q | 93.3 | Very high | 88.5 | Confident | 75 Ų | 75 | 51.6 Ų | 51.6 | 35% | 0.35 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -67.7 | -15.6 | -178.4 | -67.1 | -180 | 14 | 0 | 0 | 113.3 | L132 P136 L141 V142 N143 L199 | L132-Q139 WeakPolarHBondContact O-CG 3.37Å; L132-Q139 PolarHBondContact O-NE2 2.89Å; P136-Q139 VanDerWaalsContact O-CB 3.31Å; P136-Q139 WeakPolarHBondContact O-CB 3.27Å; P136-Q139 WeakPolarHBondContact O-CG 3.46Å; P136-Q139 PolarHBondContact O-N 3.16Å; Q139-L141 PolarHBondContact O-N 3.43Å; Q139-L141 VanDerWaalsContact O-N 3.11Å; Q139-V142 WeakPolarHBondContact O-CB 3.33Å; Q139-V142 PolarHBondContact O-N 3Å; Q139-N143 PolarHBondContact O-N 3.03Å; Q139-L199 HydrophobicContact CG-CD1 4Å |
| 140 | F | 92.5 | Very high | 87.3 | Confident | 48 Ų | 48 | 56.8 Ų | 56.8 | 21% | 0.211 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -56.9 | -24.1 | 170.4 | 70.8 | -98.2 | 0 | 0 | 0 | 112.8 | V99 A103 S137 C138 V142 N143 R144 M170 | V99-F140 HydrophobicContact CG1-CE1 4.02Å; A103-F140 HydrophobicContact CB-CZ 4.26Å; S137-F140 WeakPolarHBondContact O-CD1 3.48Å; S137-F140 WeakPolarHBondContact O-CE1 3.48Å; C138-F140 PolarHBondContact O-N 3.34Å; F140-V142 PolarHBondContact O-N 2.83Å; F140-N143 CarbonylContact O-C 3.52Å; F140-R144 VanDerWaalsContact O-CG 3.29Å; F140-R144 WeakPolarHBondContact O-CG 3.43Å; F140-M170 HydrophobicContact CE1-CE 3.94Å; F140-M170 HydrophobicContact CE1-SD 4.17Å; F140-M170 WeakPolarHBondContact CE2-O 3.4Å; F140-M170 HydrophobicContact CZ-CE 3.78Å; F140-M170 HydrophobicContact CZ-SD 3.61Å |
| 141 | L | 92.9 | Very high | 86.3 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -67.3 | -25.6 | 177.3 | -65.6 | 172.8 | 0 | 0 | 0 | 112.6 | A103 I106 C138 Q139 S169 T172 S173 L174 | A103-L141 HydrophobicContact CB-CD1 3.97Å; I106-L141 HydrophobicContact CB-CD1 4.31Å; I106-L141 HydrophobicContact CD1-CD1 4.47Å; I106-L141 HydrophobicContact CG2-CD1 4.05Å; C138-L141 HydrophobicContact CB-CD1 4.42Å; C138-L141 WeakPolarHBondContact O-CB 3.28Å; C138-L141 WeakPolarHBondContact O-CG 3.48Å; C138-L141 PolarHBondContact O-N 3.19Å; C138-L141 VanDerWaalsContact O-N 3.14Å; Q139-L141 PolarHBondContact O-N 3.43Å; Q139-L141 VanDerWaalsContact O-N 3.11Å; L141-S169 WeakPolarHBondContact CD2-O 3.37Å; L141-T172 HydrophobicContact CD2-CG2 3.9Å; L141-T172 WeakPolarHBondContact CD2-O 3.24Å; L141-S173 CarbonylContact O-C 3.6Å; L141-S173 VanDerWaalsContact O-CA 3.29Å; L141-S173 WeakPolarHBondContact O-CA 3.31Å; L141-S173 WeakPolarHBondContact O-CB 3.41Å; L141-L174 HydrophobicContact CB-CD1 3.98Å; L141-L174 HydrophobicContact CB-CD2 4.15Å; L141-L174 HydrophobicContact CB-CG 3.75Å; L141-L174 HydrophobicContact CD1-CD2 4.35Å; L141-L174 PolarHBondContact O-N 2.95Å |
| 142 | V | 92.3 | Very high | 85.3 | Confident | 30 Ų | 30 | 64.4 Ų | 64.4 | 18% | 0.182 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -53 | 176.5 | 173.2 | 0 | 0 | 0 | 0 | 109.9 | L132 Q139 F140 L174 I195 | L132-V142 HydrophobicContact CD1-CG2 3.81Å; L132-V142 HydrophobicContact CD2-CG2 4.46Å; Q139-V142 WeakPolarHBondContact O-CB 3.33Å; Q139-V142 PolarHBondContact O-N 3Å; F140-V142 PolarHBondContact O-N 2.83Å; V142-L174 HydrophobicContact CG2-CD1 4.24Å; V142-I195 HydrophobicContact CB-CG1 4.45Å; V142-I195 HydrophobicContact CG1-CD1 4.43Å; V142-I195 HydrophobicContact CG1-CG1 3.57Å; V142-I195 WeakPolarHBondContact CG1-O 3.34Å; V142-I195 HydrophobicContact CG2-CG1 4.35Å |
| 143 | N | 86.9 | Confident | 84.6 | Confident | 126 Ų | 126 | 72.2 Ų | 72.2 | 67% | 0.674 | 40% | 0.396 | S | S | * | . | trans | -128.4 | 112.7 | -177.3 | -70.2 | -36.7 | 0 | 0 | 0 | 110.1 | Q139 F140 | Q139-N143 PolarHBondContact O-N 3.03Å; F140-N143 CarbonylContact O-C 3.52Å | ||
| 144 | R | 85.4 | Confident | 84.2 | Confident | 49 Ų | 49 | 76.7 Ų | 76.7 | 19% | 0.185 | 43% | 0.425 | C | S | . | . | trans | -92.9 | 155.8 | 169.6 | -71.5 | -169.5 | 173.1 | -89.6 | -5.9 | 111.1 | F140 E148 M170 T171 T172 S173 | F140-R144 VanDerWaalsContact O-CG 3.29Å; F140-R144 WeakPolarHBondContact O-CG 3.43Å; R144-E148 HydrophobicContact CB-CB 4.41Å; R144-E148 IonicContact CZ-OE2 2.76Å; R144-E148 IonicContact NH1-OE2 2.89Å; R144-E148 PolarHBondContact NH1-OE2 3.19Å; R144-M170 VanDerWaalsContact NH2-C 3.31Å; R144-M170 PolarHBondContact NH2-O 3.18Å; R144-T171 VanDerWaalsContact NH2-CA 3.28Å; R144-T172 VanDerWaalsContact CZ-O 3.29Å; R144-T172 PolarHBondContact NE-O 3.01Å; R144-T172 PolarHBondContact NH2-O 2.87Å; R144-S173 WeakPolarHBondContact CD-OG 3.15Å; R144-S173 PolarHBondContact NE-OG 3.03Å | ||
| 145 | S | 82.4 | Confident | 84.1 | Confident | 57 Ų | 57 | 76.9 Ų | 76.9 | 40% | 0.399 | 43% | 0.429 | S | S | . | . | trans | -61 | 145.4 | 172.2 | 73.8 | 0 | 0 | 0 | 0 | 110.2 | K147 E148 A149 | S145-K147 PolarHBondContact O-N 3.28Å; S145-E148 PolarHBondContact O-N 3.44Å; S145-E148 VanDerWaalsContact OG-CD 3.28Å; S145-E148 WeakPolarHBondContact OG-CG 3.44Å; S145-E148 PolarHBondContact OG-OE1 3.1Å; S145-A149 PolarHBondContact O-N 2.98Å; S145-A149 VanDerWaalsContact O-N 3.13Å | ||
| 146 | S | 73.3 | Confident | 84 | Confident | 91 Ų | 91 | 77.4 Ų | 77.4 | 64% | 0.636 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -56.7 | -27.8 | -178.2 | -180 | 0 | 0 | 0 | 0 | 113 | L150 | S146-L150 WeakPolarHBondContact O-CD1 3.47Å; S146-L150 VanDerWaalsContact O-CG 3.25Å; S146-L150 WeakPolarHBondContact O-CG 3.4Å; S146-L150 PolarHBondContact O-N 3.27Å |
| 147 | K | 75.3 | Confident | 84 | Confident | 179 Ų | 179 | 74.3 Ų | 74.3 | 78% | 0.778 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -69.5 | -41.9 | 178 | -68.2 | -176.1 | 178.4 | -178.7 | 0 | 112 | S145 T151 | S145-K147 PolarHBondContact O-N 3.28Å; K147-T151 WeakPolarHBondContact O-CG2 3.18Å |
| 148 | E | 74.2 | Confident | 84.1 | Confident | 79 Ų | 79 | 74 Ų | 74 | 37% | 0.369 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -70.4 | -40.6 | 178.2 | -71.2 | 162.8 | -133.9 | 0 | 0 | 111.8 | R144 S145 L150 T151 | R144-E148 HydrophobicContact CB-CB 4.41Å; R144-E148 IonicContact CZ-OE2 2.76Å; R144-E148 IonicContact NH1-OE2 2.89Å; R144-E148 PolarHBondContact NH1-OE2 3.19Å; S145-E148 PolarHBondContact O-N 3.44Å; S145-E148 VanDerWaalsContact OG-CD 3.28Å; S145-E148 WeakPolarHBondContact OG-CG 3.44Å; S145-E148 PolarHBondContact OG-OE1 3.1Å; E148-L150 VanDerWaalsContact C-N 3.28Å; E148-L150 PolarHBondContact O-N 3.38Å; E148-T151 PolarHBondContact O-N 3.08Å; E148-T151 PolarHBondContact O-OG1 3.38Å |
| 149 | A | 71 | Confident | 84 | Confident | 59 Ų | 59 | 77.5 Ų | 77.5 | 49% | 0.488 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.3 | -35.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | S145 T151 | S145-A149 PolarHBondContact O-N 2.98Å; S145-A149 VanDerWaalsContact O-N 3.13Å; A149-T151 VanDerWaalsContact C-N 3.29Å; A149-T151 PolarHBondContact O-N 3.18Å |
| 150 | L | 68.2 | Low | 84 | Confident | 140 Ų | 140 | 82.6 Ų | 82.6 | 73% | 0.733 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -17.9 | 179.7 | -70.5 | 167.6 | 0 | 0 | 0 | 113.6 | S146 E148 | S146-L150 WeakPolarHBondContact O-CD1 3.47Å; S146-L150 VanDerWaalsContact O-CG 3.25Å; S146-L150 WeakPolarHBondContact O-CG 3.4Å; S146-L150 PolarHBondContact O-N 3.27Å; E148-L150 VanDerWaalsContact C-N 3.28Å; E148-L150 PolarHBondContact O-N 3.38Å |
| 151 | T | 74.3 | Confident | 84.1 | Confident | 106 Ų | 106 | 81 Ų | 81 | 65% | 0.65 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -8.7 | -178 | 54.4 | 0 | 0 | 0 | 0 | 114.2 | K147 E148 A149 | K147-T151 WeakPolarHBondContact O-CG2 3.18Å; E148-T151 PolarHBondContact O-N 3.08Å; E148-T151 PolarHBondContact O-OG1 3.38Å; A149-T151 VanDerWaalsContact C-N 3.29Å; A149-T151 PolarHBondContact O-N 3.18Å |
| 152 | L | 74.1 | Confident | 84.1 | Confident | 61 Ų | 61 | 85.3 Ų | 85.3 | 32% | 0.319 | 46% | 0.464 | S | S | . | . | trans | -104.8 | 101.4 | -173.3 | -64.6 | 173.3 | 0 | 0 | 0 | 110.8 | T154 P156 T171 | L152-T154 VanDerWaalsContact C-N 3.35Å; L152-P156 HydrophobicContact CD2-CG 4.48Å; L152-T171 WeakPolarHBondContact CD1-O 3.48Å | ||
| 153 | D | 79.3 | Confident | 84.2 | Confident | 163 Ų | 163 | 86 Ų | 86 | 87% | 0.872 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -72 | -31.7 | 172.5 | -70.8 | -23.8 | 0 | 0 | 0 | 112.2 | ||
| 154 | T | 87.2 | Confident | 84.6 | Confident | 113 Ų | 113 | 80 Ų | 80 | 69% | 0.693 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -138.2 | 154.7 | -177.4 | 57 | 0 | 0 | 0 | 0 | 110.7 | L152 P156 | L152-T154 VanDerWaalsContact C-N 3.35Å; T154-P156 VanDerWaalsContact O-CD 3.3Å; T154-P156 WeakPolarHBondContact O-CD 3.19Å |
| 155 | D | 89.3 | Confident | 85 | Confident | 51 Ų | 51 | 80.4 Ų | 80.4 | 27% | 0.273 | 45% | 0.448 | S | S | . | . | trans | -67.6 | 117.1 | 174.5 | -179.3 | 8.9 | 0 | 0 | 0 | 110 | K107 R111 Y157 T172 W175 | K107-D155 IonicContact NZ-OD2 2.76Å; K107-D155 PolarHBondContact NZ-OD2 3.11Å; K107-D155 VanDerWaalsContact NZ-OD2 3.12Å; R111-D155 IonicContact CZ-OD2 3.3Å; R111-D155 IonicContact NH2-OD2 3.22Å; R111-D155 PolarHBondContact NH2-OD2 3.28Å; D155-Y157 PolarHBondContact O-N 2.83Å; D155-Y157 WeakPolarHBondContact OD1-CB 3.29Å; D155-Y157 PolarHBondContact OD1-N 3.41Å; D155-Y157 VanDerWaalsContact OD1-N 3.11Å; D155-T172 WeakPolarHBondContact OD1-CB 3.46Å; D155-T172 PolarHBondContact OD1-OG1 3.02Å; D155-W175 HydrophobicContact CB-CH2 4.07Å; D155-W175 HydrophobicContact CB-CZ3 3.79Å; D155-W175 VanDerWaalsContact OD1-CZ3 3.31Å; D155-W175 WeakPolarHBondContact OD1-CZ3 3.48Å; D155-W175 VanDerWaalsContact OD2-CZ3 3.31Å; D155-W175 WeakPolarHBondContact OD2-CZ3 3.31Å | ||
| 156 | P | 91.4 | Very high | 85.5 | Confident | 39 Ų | 39 | 84.7 Ų | 84.7 | 25% | 0.253 | 46% | 0.46 | S | S | . | . | trans | -73.2 | -7.5 | -177.7 | 30.5 | -36.5 | 0 | 0 | 0 | 114 | L152 T154 D158 N168 T171 | L152-P156 HydrophobicContact CD2-CG 4.48Å; T154-P156 VanDerWaalsContact O-CD 3.3Å; T154-P156 WeakPolarHBondContact O-CD 3.19Å; P156-D158 PolarHBondContact O-N 3.34Å; P156-N168 HydrophobicContact CB-CB 4.4Å; P156-N168 VanDerWaalsContact O-CB 3.32Å; P156-N168 WeakPolarHBondContact O-CB 3.4Å; P156-N168 PolarHBondContact O-ND2 3.36Å; P156-T171 WeakPolarHBondContact CG-O 3.24Å; P156-T171 VanDerWaalsContact CG-OG1 3.22Å; P156-T171 WeakPolarHBondContact CG-OG1 3.1Å | ||
| 157 | Y | 93.7 | Very high | 86.5 | Confident | 14 Ų | 14 | 80.4 Ų | 80.4 | 6% | 0.055 | 43% | 0.429 | C | S | . | . | trans | -69.4 | 124.6 | -174.4 | 177.6 | -107.2 | 0 | 0 | 0 | 113.1 | Y68 K107 R108 D155 F159 C167 | Y68-Y157 PolarHBondContact OH-OH 2.9Å; K107-Y157 HydrophobicContact CB-CD2 4.33Å; K107-Y157 HydrophobicContact CB-CE2 4.04Å; K107-Y157 HydrophobicContact CD-CD1 4.32Å; K107-Y157 HydrophobicContact CD-CG 4.32Å; K107-Y157 HydrophobicContact CG-CD1 3.73Å; K107-Y157 HydrophobicContact CG-CD2 3.48Å; K107-Y157 VanDerWaalsContact CG-CD2 3.48Å; K107-Y157 HydrophobicContact CG-CE1 3.74Å; K107-Y157 HydrophobicContact CG-CE2 3.52Å; K107-Y157 HydrophobicContact CG-CG 3.6Å; R108-Y157 WeakPolarHBondContact CA-OH 3.22Å; R108-Y157 WeakPolarHBondContact CB-OH 3.39Å; D155-Y157 PolarHBondContact O-N 2.83Å; D155-Y157 WeakPolarHBondContact OD1-CB 3.29Å; D155-Y157 PolarHBondContact OD1-N 3.41Å; D155-Y157 VanDerWaalsContact OD1-N 3.11Å; Y157-F159 HydrophobicContact CE1-CB 3.97Å; Y157-F159 HydrophobicContact CE1-CD2 4.02Å; Y157-C167 WeakPolarHBondContact CA-O 3.44Å; Y157-C167 HydrophobicContact CD2-CB 4.25Å; Y157-C167 WeakPolarHBondContact CD2-O 3.38Å; Y157-C167 HydrophobicContact CE2-CB 3.77Å | ||
| 158 | D | 94.5 | Very high | 87.3 | Confident | 73 Ų | 73 | 76 Ų | 76 | 39% | 0.39 | 41% | 0.414 | S | S | . | . | trans | -96.2 | 108.7 | 173.4 | -177.9 | 12.4 | 0 | 0 | 0 | 111.1 | P156 K160 A161 C167 | P156-D158 PolarHBondContact O-N 3.34Å; D158-K160 VanDerWaalsContact C-N 3.31Å; D158-K160 PolarHBondContact O-N 3.3Å; D158-K160 WeakPolarHBondContact OD1-CB 3.33Å; D158-K160 PolarHBondContact OD1-N 3.04Å; D158-A161 HydrophobicContact CB-CB 4.23Å; D158-A161 PolarHBondContact OD2-N 3.1Å; D158-C167 PolarHBondContact N-O 3.32Å | ||
| 159 | F | 92.4 | Very high | 88.1 | Confident | 74 Ų | 74 | 72.3 Ų | 72.3 | 33% | 0.325 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -21.7 | 177.3 | -175.6 | -102.5 | 0 | 0 | 0 | 113.4 | R108 R111 L112 Y157 | R108-F159 HydrophobicContact CG-CE2 4.12Å; R111-F159 HydrophobicContact CB-CD2 3.85Å; R111-F159 HydrophobicContact CB-CE2 3.9Å; R111-F159 HydrophobicContact CG-CD2 3.59Å; R111-F159 HydrophobicContact CG-CE2 3.81Å; R111-F159 HydrophobicContact CG-CG 4.2Å; L112-F159 HydrophobicContact CD2-CE2 4.43Å; L112-F159 HydrophobicContact CD2-CZ 4Å; L112-F159 HydrophobicContact CG-CE2 4.5Å; Y157-F159 HydrophobicContact CE1-CB 3.97Å; Y157-F159 HydrophobicContact CE1-CD2 4.02Å |
| 160 | K | 93.6 | Very high | 89.2 | Confident | 183 Ų | 183 | 73.1 Ų | 73.1 | 80% | 0.796 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.5 | -13.3 | -179.1 | -65.6 | -176.5 | -179.6 | 178.9 | 0 | 112.8 | D158 T162 | D158-K160 VanDerWaalsContact C-N 3.31Å; D158-K160 PolarHBondContact O-N 3.3Å; D158-K160 WeakPolarHBondContact OD1-CB 3.33Å; D158-K160 PolarHBondContact OD1-N 3.04Å; K160-T162 PolarHBondContact O-N 3.23Å |
| 161 | A | 94.2 | Very high | 90.2 | Very high | 13 Ų | 13 | 69.5 Ų | 69.5 | 11% | 0.107 | 38% | 0.376 | C | S | . | . | trans | -59.4 | 127.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y68 D158 C167 | Y68-A161 WeakPolarHBondContact CE1-O 3.31Å; D158-A161 HydrophobicContact CB-CB 4.23Å; D158-A161 PolarHBondContact OD2-N 3.1Å; A161-C167 HydrophobicContact CB-CB 3.88Å | ||
| 162 | T | 93.5 | Very high | 91 | Very high | 92 Ų | 92 | 64.4 Ų | 64.4 | 56% | 0.564 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -84.4 | -26 | 176.6 | 53.2 | 0 | 0 | 0 | 0 | 112.8 | N69 K160 | N69-T162 PolarHBondContact ND2-O 3.07Å; N69-T162 VanDerWaalsContact OD1-CA 3.27Å; N69-T162 WeakPolarHBondContact OD1-CA 3.36Å; N69-T162 PolarHBondContact OD1-O 3.25Å; K160-T162 PolarHBondContact O-N 3.23Å |
| 163 | D | 94.4 | Very high | 91.9 | Very high | 44 Ų | 44 | 62.2 Ų | 62.2 | 24% | 0.235 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -91.9 | 118.8 | 177 | -179.9 | -8.6 | 0 | 0 | 0 | 109.2 | A165 K166 | D163-A165 PolarHBondContact O-N 2.93Å; D163-A165 VanDerWaalsContact OD1-CB 3.28Å; D163-A165 WeakPolarHBondContact OD1-CB 3.35Å; D163-A165 PolarHBondContact OD1-N 3.06Å; D163-K166 HydrophobicContact CB-CB 4.26Å; D163-K166 HydrophobicContact CB-CD 4.13Å; D163-K166 HydrophobicContact CB-CG 4.18Å; D163-K166 PolarHBondContact O-N 3.34Å; D163-K166 VanDerWaalsContact OD2-CE 3.25Å; D163-K166 WeakPolarHBondContact OD2-CE 3.47Å; D163-K166 IonicContact OD2-NZ 3.43Å |
| 164 | P | 94.7 | Very high | 92.6 | Very high | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.006 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -22 | 179.3 | 25.9 | -33.8 | 0 | 0 | 0 | 113 | D65 Y68 L101 A104 K166 C167 | D65-P164 VanDerWaalsContact OD1-CD 3.31Å; D65-P164 WeakPolarHBondContact OD1-CD 3.26Å; Y68-P164 HydrophobicContact CD1-CB 4.06Å; Y68-P164 HydrophobicContact CD1-CG 4.48Å; Y68-P164 HydrophobicContact CD2-CB 4.17Å; Y68-P164 HydrophobicContact CE1-CB 4.3Å; Y68-P164 HydrophobicContact CE2-CB 4.41Å; Y68-P164 HydrophobicContact CG-CB 4.01Å; Y68-P164 HydrophobicContact CG-CG 4.47Å; L101-P164 HydrophobicContact CD1-CB 3.59Å; L101-P164 HydrophobicContact CD1-CG 3.41Å; L101-P164 VanDerWaalsContact CD1-CG 3.41Å; A104-P164 HydrophobicContact CB-CB 3.75Å; P164-K166 VanDerWaalsContact C-N 3.31Å; P164-C167 PolarHBondContact O-SG 3.35Å |
| 165 | A | 93.6 | Very high | 92.9 | Very high | 56 Ų | 56 | 54.5 Ų | 54.5 | 46% | 0.463 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -25.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y100 D163 | Y100-A165 HydrophobicContact CD2-CB 4.16Å; Y100-A165 HydrophobicContact CE2-CB 3.72Å; D163-A165 PolarHBondContact O-N 2.93Å; D163-A165 VanDerWaalsContact OD1-CB 3.28Å; D163-A165 WeakPolarHBondContact OD1-CB 3.35Å; D163-A165 PolarHBondContact OD1-N 3.06Å |
| 166 | K | 93.8 | Very high | 93.2 | Very high | 148 Ų | 148 | 52.4 Ų | 52.4 | 64% | 0.643 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -100.5 | 0.7 | -174.1 | -62.5 | 179.9 | -174.1 | 172.7 | 0 | 114.3 | D163 P164 N168 | D163-K166 HydrophobicContact CB-CB 4.26Å; D163-K166 HydrophobicContact CB-CD 4.13Å; D163-K166 HydrophobicContact CB-CG 4.18Å; D163-K166 PolarHBondContact O-N 3.34Å; D163-K166 VanDerWaalsContact OD2-CE 3.25Å; D163-K166 WeakPolarHBondContact OD2-CE 3.47Å; D163-K166 IonicContact OD2-NZ 3.43Å; P164-K166 VanDerWaalsContact C-N 3.31Å; K166-N168 VanDerWaalsContact C-N 3.3Å; K166-N168 PolarHBondContact O-N 2.95Å |
| 167 | C | 93.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -81 | -2.4 | -176.5 | 71.4 | 0 | 0 | 0 | 0 | 114.7 | A104 Y157 D158 A161 P164 S169 | A104-C167 WeakPolarHBondContact CB-SG 3.09Å; Y157-C167 WeakPolarHBondContact CA-O 3.44Å; Y157-C167 HydrophobicContact CD2-CB 4.25Å; Y157-C167 WeakPolarHBondContact CD2-O 3.38Å; Y157-C167 HydrophobicContact CE2-CB 3.77Å; D158-C167 PolarHBondContact N-O 3.32Å; A161-C167 HydrophobicContact CB-CB 3.88Å; P164-C167 PolarHBondContact O-SG 3.35Å; C167-S169 VanDerWaalsContact C-N 3.26Å; C167-S169 PolarHBondContact O-N 3.35Å |
| 168 | N | 92.6 | Very high | 93.5 | Very high | 86 Ų | 86 | 53.7 Ų | 53.7 | 46% | 0.46 | 27% | 0.272 | S | S | . | . | trans | 56.6 | 33.6 | -176.4 | -59.2 | -34.1 | 0 | 0 | 0 | 114.4 | P156 K166 M170 T171 | P156-N168 HydrophobicContact CB-CB 4.4Å; P156-N168 VanDerWaalsContact O-CB 3.32Å; P156-N168 WeakPolarHBondContact O-CB 3.4Å; P156-N168 PolarHBondContact O-ND2 3.36Å; K166-N168 VanDerWaalsContact C-N 3.3Å; K166-N168 PolarHBondContact O-N 2.95Å; N168-M170 PolarHBondContact O-N 3.36Å; N168-T171 PolarHBondContact O-N 3.19Å; N168-T171 PolarHBondContact O-OG1 2.93Å | ||
| 169 | S | 92 | Very high | 93.5 | Very high | 3 Ų | 3 | 54.2 Ų | 54.2 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -63.5 | -23.7 | 176.6 | 60.8 | 0 | 0 | 0 | 0 | 113.8 | Y100 A104 L141 C167 T171 T172 | Y100-S169 PolarHBondContact O-OG 3Å; Y100-S169 VanDerWaalsContact O-OG 3.1Å; A104-S169 VanDerWaalsContact CA-CB 3.5Å; A104-S169 PolarHBondContact N-OG 3.43Å; L141-S169 WeakPolarHBondContact CD2-O 3.37Å; C167-S169 VanDerWaalsContact C-N 3.26Å; C167-S169 PolarHBondContact O-N 3.35Å; S169-T171 VanDerWaalsContact C-N 3.29Å; S169-T171 PolarHBondContact O-N 2.84Å; S169-T172 WeakPolarHBondContact O-CG2 3.3Å |
| 170 | M | 92.3 | Very high | 93.6 | Very high | 76 Ų | 76 | 51.1 Ų | 51.1 | 37% | 0.374 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -76 | -15.4 | -177.8 | -69.3 | -62.6 | -67.5 | 0 | 0 | 113.7 | V99 Y100 A103 F140 R144 N168 | V99-M170 HydrophobicContact CG1-CE 3.97Å; V99-M170 HydrophobicContact CG1-SD 4.07Å; Y100-M170 WeakPolarHBondContact CA-SD 3.4Å; A103-M170 HydrophobicContact CB-SD 3.98Å; F140-M170 HydrophobicContact CE1-CE 3.94Å; F140-M170 HydrophobicContact CE1-SD 4.17Å; F140-M170 WeakPolarHBondContact CE2-O 3.4Å; F140-M170 HydrophobicContact CZ-CE 3.78Å; F140-M170 HydrophobicContact CZ-SD 3.61Å; R144-M170 VanDerWaalsContact NH2-C 3.31Å; R144-M170 PolarHBondContact NH2-O 3.18Å; N168-M170 PolarHBondContact O-N 3.36Å |
| 171 | T | 89.5 | Confident | 93.7 | Very high | 63 Ų | 63 | 44.6 Ų | 44.6 | 39% | 0.387 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -111 | 3.1 | -177.5 | 51.9 | 0 | 0 | 0 | 0 | 112.9 | R144 L152 P156 N168 S169 | R144-T171 VanDerWaalsContact NH2-CA 3.28Å; L152-T171 WeakPolarHBondContact CD1-O 3.48Å; P156-T171 WeakPolarHBondContact CG-O 3.24Å; P156-T171 VanDerWaalsContact CG-OG1 3.22Å; P156-T171 WeakPolarHBondContact CG-OG1 3.1Å; N168-T171 PolarHBondContact O-N 3.19Å; N168-T171 PolarHBondContact O-OG1 2.93Å; S169-T171 VanDerWaalsContact C-N 3.29Å; S169-T171 PolarHBondContact O-N 2.84Å |
| 172 | T | 92.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | trans | -98.9 | 175.1 | -179.4 | -165 | 0 | 0 | 0 | 0 | 113 | K107 L141 R144 D155 S169 W175 | K107-T172 HydrophobicContact CB-CG2 4.37Å; K107-T172 HydrophobicContact CD-CG2 3.7Å; K107-T172 WeakPolarHBondContact CE-OG1 3.48Å; K107-T172 HydrophobicContact CG-CG2 3.81Å; K107-T172 PolarHBondContact NZ-OG1 3.08Å; K107-T172 VanDerWaalsContact NZ-OG1 3.11Å; L141-T172 HydrophobicContact CD2-CG2 3.9Å; L141-T172 WeakPolarHBondContact CD2-O 3.24Å; R144-T172 VanDerWaalsContact CZ-O 3.29Å; R144-T172 PolarHBondContact NE-O 3.01Å; R144-T172 PolarHBondContact NH2-O 2.87Å; D155-T172 WeakPolarHBondContact OD1-CB 3.46Å; D155-T172 PolarHBondContact OD1-OG1 3.02Å; S169-T172 WeakPolarHBondContact O-CG2 3.3Å; T172-W175 WeakPolarHBondContact OG1-CZ3 3.46Å | ||
| 173 | S | 92.9 | Very high | 93.9 | Very high | 15 Ų | 15 | 49.2 Ų | 49.2 | 11% | 0.105 | 25% | 0.249 | C | C | . | . | trans | -131.4 | 173.2 | 170.6 | -47.8 | 0 | 0 | 0 | 0 | 110.9 | K107 L141 R144 W175 | K107-S173 PolarHBondContact NZ-O 3.19Å; L141-S173 CarbonylContact O-C 3.6Å; L141-S173 VanDerWaalsContact O-CA 3.29Å; L141-S173 WeakPolarHBondContact O-CA 3.31Å; L141-S173 WeakPolarHBondContact O-CB 3.41Å; R144-S173 WeakPolarHBondContact CD-OG 3.15Å; R144-S173 PolarHBondContact NE-OG 3.03Å; S173-W175 VanDerWaalsContact CB-CZ2 3.46Å; S173-W175 VanDerWaalsContact N-CZ3 3.27Å; S173-W175 WeakPolarHBondContact O-CZ3 3.49Å; S173-W175 PolarHBondContact O-N 2.89Å | ||
| 174 | L | 94.5 | Very high | 93.9 | Very high | 4 Ų | 4 | 56 Ų | 56 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | trans | -96.4 | 53.1 | -176.1 | -53.9 | 179.1 | 0 | 0 | 0 | 113.7 | I106 K107 I128 L132 L141 V142 E176 I177 I195 | I106-L174 HydrophobicContact CG2-CD1 3.83Å; I106-L174 HydrophobicContact CG2-CD2 3.88Å; K107-L174 HydrophobicContact CD-CD2 4.16Å; I128-L174 HydrophobicContact CG2-CD1 4.47Å; L132-L174 HydrophobicContact CD1-CD1 4.09Å; L141-L174 HydrophobicContact CB-CD1 3.98Å; L141-L174 HydrophobicContact CB-CD2 4.15Å; L141-L174 HydrophobicContact CB-CG 3.75Å; L141-L174 HydrophobicContact CD1-CD2 4.35Å; L141-L174 PolarHBondContact O-N 2.95Å; V142-L174 HydrophobicContact CG2-CD1 4.24Å; L174-E176 PolarHBondContact O-N 3.32Å; L174-E176 VanDerWaalsContact O-N 3.14Å; L174-I177 HydrophobicContact CB-CD1 4.01Å; L174-I177 HydrophobicContact CB-CG1 4.31Å; L174-I177 HydrophobicContact CD1-CD1 3.83Å; L174-I177 HydrophobicContact CG-CD1 4.44Å; L174-I177 PolarHBondContact O-N 2.79Å; L174-I177 VanDerWaalsContact O-N 3.12Å; L174-I195 HydrophobicContact CB-CD1 4.38Å | ||
| 175 | W | 93.2 | Very high | 94 | Very high | 109 Ų | 109 | 57 Ų | 57 | 41% | 0.413 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.8 | -21 | 178.6 | -46.3 | -88.7 | 0 | 0 | 0 | 113.1 | D155 T172 S173 I177 Q178 T179 | D155-W175 HydrophobicContact CB-CH2 4.07Å; D155-W175 HydrophobicContact CB-CZ3 3.79Å; D155-W175 VanDerWaalsContact OD1-CZ3 3.31Å; D155-W175 WeakPolarHBondContact OD1-CZ3 3.48Å; D155-W175 VanDerWaalsContact OD2-CZ3 3.31Å; D155-W175 WeakPolarHBondContact OD2-CZ3 3.31Å; T172-W175 WeakPolarHBondContact OG1-CZ3 3.46Å; S173-W175 VanDerWaalsContact CB-CZ2 3.46Å; S173-W175 VanDerWaalsContact N-CZ3 3.27Å; S173-W175 WeakPolarHBondContact O-CZ3 3.49Å; S173-W175 PolarHBondContact O-N 2.89Å; W175-I177 VanDerWaalsContact C-N 3.3Å; W175-I177 PolarHBondContact O-N 3.43Å; W175-Q178 WeakPolarHBondContact O-CB 3.38Å; W175-Q178 PolarHBondContact O-N 3.3Å; W175-T179 PolarHBondContact O-N 3.45Å; W175-T179 PolarHBondContact O-OG1 3.04Å |
| 176 | E | 95.8 | Very high | 94.1 | Very high | 8 Ų | 8 | 60.1 Ų | 60.1 | 4% | 0.037 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61 | -40.8 | 175 | -61.2 | 92.9 | 160 | 0 | 0 | 111.4 | K107 S110 R111 L114 L174 T179 M180 | K107-E176 VanDerWaalsContact CE-OE1 3.27Å; K107-E176 WeakPolarHBondContact CE-OE1 3.28Å; K107-E176 VanDerWaalsContact NZ-CD 3.26Å; K107-E176 IonicContact NZ-OE1 3.07Å; K107-E176 PolarHBondContact NZ-OE1 3.12Å; K107-E176 IonicContact NZ-OE2 2.78Å; K107-E176 PolarHBondContact NZ-OE2 2.93Å; S110-E176 WeakPolarHBondContact O-CB 3.25Å; R111-E176 IonicContact CZ-OE1 2.78Å; R111-E176 VanDerWaalsContact CZ-OE1 3.3Å; R111-E176 IonicContact NE-OE1 3.64Å; R111-E176 PolarHBondContact NE-OE1 3.42Å; R111-E176 IonicContact NH2-OE1 3.82Å; R111-E176 PolarHBondContact NH2-OE1 3.38Å; L114-E176 HydrophobicContact CD1-CB 4.24Å; L114-E176 HydrophobicContact CD1-CG 3.68Å; L114-E176 HydrophobicContact CD2-CB 4.04Å; L114-E176 HydrophobicContact CD2-CG 4.41Å; L114-E176 HydrophobicContact CG-CB 3.99Å; L114-E176 HydrophobicContact CG-CG 3.95Å; L174-E176 PolarHBondContact O-N 3.32Å; L174-E176 VanDerWaalsContact O-N 3.14Å; E176-T179 WeakPolarHBondContact O-CB 3.38Å; E176-T179 PolarHBondContact O-N 3.11Å; E176-M180 WeakPolarHBondContact O-CG 3.18Å; E176-M180 PolarHBondContact O-N 2.89Å; E176-M180 VanDerWaalsContact O-N 3.17Å |
| 177 | I | 95.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -70.1 | -38.1 | 177.2 | -59.3 | 176.8 | 0 | 0 | 0 | 110.6 | L113 L125 I128 L174 W175 T179 M180 A192 F194 I195 | L113-I177 HydrophobicContact CD2-CG1 4.18Å; L125-I177 HydrophobicContact CD2-CG1 4.4Å; L125-I177 HydrophobicContact CD2-CG2 4.01Å; I128-I177 HydrophobicContact CD1-CD1 4.31Å; I128-I177 HydrophobicContact CG2-CD1 3.71Å; L174-I177 HydrophobicContact CB-CD1 4.01Å; L174-I177 HydrophobicContact CB-CG1 4.31Å; L174-I177 HydrophobicContact CD1-CD1 3.83Å; L174-I177 HydrophobicContact CG-CD1 4.44Å; L174-I177 PolarHBondContact O-N 2.79Å; L174-I177 VanDerWaalsContact O-N 3.12Å; W175-I177 VanDerWaalsContact C-N 3.3Å; W175-I177 PolarHBondContact O-N 3.43Å; I177-T179 PolarHBondContact O-N 3.37Å; I177-M180 WeakPolarHBondContact O-CB 3.33Å; I177-M180 PolarHBondContact O-N 3.5Å; I177-A192 HydrophobicContact CG2-CB 4.35Å; I177-F194 HydrophobicContact CD1-CZ 4.05Å; I177-F194 HydrophobicContact CG2-CE1 4.48Å; I177-F194 HydrophobicContact CG2-CZ 4.36Å; I177-I195 HydrophobicContact CB-CD1 3.79Å; I177-I195 HydrophobicContact CG2-CB 4.1Å; I177-I195 HydrophobicContact CG2-CD1 3.78Å; I177-I195 HydrophobicContact CG2-CG1 4.5Å; I177-I195 HydrophobicContact CG2-CG2 4.33Å |
| 178 | Q | 94 | Very high | 94.2 | Very high | 79 Ų | 79 | 60 Ų | 60 | 37% | 0.369 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -58.9 | -38.1 | 173.3 | -174.6 | 66.2 | 1.9 | 0 | 0 | 111.5 | W175 M180 K181 | W175-Q178 WeakPolarHBondContact O-CB 3.38Å; W175-Q178 PolarHBondContact O-N 3.3Å; Q178-M180 VanDerWaalsContact C-N 3.34Å; Q178-M180 PolarHBondContact O-N 3.24Å; Q178-K181 WeakPolarHBondContact O-CB 3.35Å; Q178-K181 PolarHBondContact O-N 3.14Å; Q178-K181 VanDerWaalsContact OE1-CD 3.24Å |
| 179 | T | 95 | Very high | 94.4 | Very high | 84 Ų | 84 | 58.1 Ų | 58.1 | 52% | 0.515 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.6 | -38.4 | 175.6 | -54 | 0 | 0 | 0 | 0 | 111.4 | L114 W175 E176 I177 K181 H182 | L114-T179 HydrophobicContact CD2-CG2 4.25Å; W175-T179 PolarHBondContact O-N 3.45Å; W175-T179 PolarHBondContact O-OG1 3.04Å; E176-T179 WeakPolarHBondContact O-CB 3.38Å; E176-T179 PolarHBondContact O-N 3.11Å; I177-T179 PolarHBondContact O-N 3.37Å; T179-K181 PolarHBondContact O-N 3.46Å; T179-K181 VanDerWaalsContact O-N 3.11Å; T179-H182 PolarHBondContact O-N 3.16Å |
| 180 | M | 95.8 | Very high | 94.5 | Very high | 9 Ų | 9 | 66.1 Ų | 66.1 | 4% | 0.044 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.6 | -16.5 | 178.6 | -62.3 | -51.7 | -66 | 0 | 0 | 114.6 | L113 L114 C121 E176 I177 Q178 H182 H183 V188 A192 | L113-M180 HydrophobicContact CD1-CE 4.32Å; L113-M180 HydrophobicContact CD2-CG 3.56Å; L113-M180 HydrophobicContact CD2-SD 4.46Å; L113-M180 HydrophobicContact CG-CE 4.27Å; L113-M180 HydrophobicContact CG-CG 3.75Å; L113-M180 HydrophobicContact CG-SD 3.98Å; L114-M180 HydrophobicContact CD2-SD 4.31Å; C121-M180 HydrophobicContact CB-CE 4.22Å; E176-M180 WeakPolarHBondContact O-CG 3.18Å; E176-M180 PolarHBondContact O-N 2.89Å; E176-M180 VanDerWaalsContact O-N 3.17Å; I177-M180 WeakPolarHBondContact O-CB 3.33Å; I177-M180 PolarHBondContact O-N 3.5Å; Q178-M180 VanDerWaalsContact C-N 3.34Å; Q178-M180 PolarHBondContact O-N 3.24Å; M180-H182 PolarHBondContact O-N 3.46Å; M180-H183 HydrophobicContact CE-CB 4.22Å; M180-H183 WeakPolarHBondContact CE-CD2 3.41Å; M180-H183 WeakPolarHBondContact O-CB 3.27Å; M180-H183 PolarHBondContact O-N 3.17Å; M180-V188 HydrophobicContact CB-CG1 4.38Å; M180-V188 HydrophobicContact CE-CG1 3.45Å; M180-V188 VanDerWaalsContact CE-CG1 3.45Å; M180-A192 HydrophobicContact CB-CB 3.91Å |
| 181 | K | 95.4 | Very high | 94.5 | Very high | 47 Ų | 47 | 64.3 Ų | 64.3 | 20% | 0.204 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -17.5 | 172.5 | -63.9 | 172.3 | 64.8 | -172.3 | 0 | 113.4 | Q178 T179 V189 A192 I195 D196 | Q178-K181 WeakPolarHBondContact O-CB 3.35Å; Q178-K181 PolarHBondContact O-N 3.14Å; Q178-K181 VanDerWaalsContact OE1-CD 3.24Å; T179-K181 PolarHBondContact O-N 3.46Å; T179-K181 VanDerWaalsContact O-N 3.11Å; K181-V189 VanDerWaalsContact O-CG1 3.32Å; K181-V189 WeakPolarHBondContact O-CG1 3.47Å; K181-V189 WeakPolarHBondContact O-CG2 3.34Å; K181-A192 HydrophobicContact CG-CB 4.15Å; K181-I195 HydrophobicContact CD-CG2 3.97Å; K181-D196 WeakPolarHBondContact CE-OD2 3.41Å; K181-D196 IonicContact NZ-OD1 2.63Å; K181-D196 PolarHBondContact NZ-OD1 3.02Å; K181-D196 IonicContact NZ-OD2 2.94Å; K181-D196 PolarHBondContact NZ-OD2 2.94Å |
| 182 | H | 94.9 | Very high | 94.8 | Very high | 159 Ų | 159 | 61.3 Ų | 61.3 | 74% | 0.736 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.2 | 16.7 | 176.7 | -55.6 | 89.5 | 0 | 0 | 0 | 112 | T179 M180 | T179-H182 PolarHBondContact O-N 3.16Å; M180-H182 PolarHBondContact O-N 3.46Å |
| 183 | H | 95.8 | Very high | 94.9 | Very high | 42 Ų | 42 | 62.3 Ų | 62.3 | 19% | 0.194 | 30% | 0.3 | C | S | . | . | trans | -70.7 | 146.4 | 179.1 | -171.4 | -84.2 | 0 | 0 | 0 | 111.1 | M180 S185 V188 V189 | M180-H183 HydrophobicContact CE-CB 4.22Å; M180-H183 WeakPolarHBondContact CE-CD2 3.41Å; M180-H183 WeakPolarHBondContact O-CB 3.27Å; M180-H183 PolarHBondContact O-N 3.17Å; H183-S185 PolarHBondContact ND1-N 3.12Å; H183-S185 PolarHBondContact O-N 3.42Å; H183-V188 HydrophobicContact CB-CB 4.29Å; H183-V188 HydrophobicContact CB-CG1 3.93Å; H183-V189 HydrophobicContact CB-CG2 4.36Å; H183-V189 WeakPolarHBondContact O-CG2 3.4Å | ||
| 184 | Y | 95.6 | Very high | 94.9 | Very high | 187 Ų | 187 | 62.7 Ų | 62.7 | 73% | 0.733 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -62.7 | -11.4 | -176.2 | 76.2 | -93.5 | 0 | 0 | 0 | 115.6 | V118 | V118-Y184 HydrophobicContact CG2-CE1 3.95Å; V118-Y184 HydrophobicContact CG2-CE2 4.43Å; V118-Y184 WeakPolarHBondContact CG2-OH 3.23Å |
| 185 | S | 95.7 | Very high | 94.8 | Very high | 23 Ų | 23 | 63.1 Ų | 63.1 | 16% | 0.161 | 30% | 0.301 | C | S | . | . | trans | -110.1 | 115.8 | -173.6 | 175.6 | 0 | 0 | 0 | 0 | 109.8 | H183 K187 V188 V189 | H183-S185 PolarHBondContact ND1-N 3.12Å; H183-S185 PolarHBondContact O-N 3.42Å; S185-K187 PolarHBondContact O-N 3.29Å; S185-K187 VanDerWaalsContact O-N 3.08Å; S185-V188 WeakPolarHBondContact O-CA 3.35Å; S185-V188 WeakPolarHBondContact O-CB 3.25Å; S185-V188 PolarHBondContact O-N 2.92Å; S185-V189 PolarHBondContact O-N 3.34Å; S185-V189 VanDerWaalsContact O-N 3.09Å | ||
| 186 | D | 95.8 | Very high | 94.7 | Very high | 120 Ų | 120 | 62.7 Ų | 62.7 | 64% | 0.642 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -52.8 | -34.2 | -179.9 | -64.9 | -11.2 | 0 | 0 | 0 | 113.4 | V188 V189 K190 | D186-V188 VanDerWaalsContact C-N 3.31Å; D186-V188 PolarHBondContact O-N 3.35Å; D186-V189 PolarHBondContact O-N 2.93Å; D186-K190 WeakPolarHBondContact O-CB 3.48Å; D186-K190 VanDerWaalsContact O-CG 3.26Å; D186-K190 WeakPolarHBondContact O-CG 3.27Å; D186-K190 PolarHBondContact O-N 3.2Å |
| 187 | K | 94.1 | Very high | 94.4 | Very high | 147 Ų | 147 | 66.1 Ų | 66.1 | 64% | 0.639 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -63.8 | -40.6 | 178.2 | -67.3 | -177.9 | -178.6 | 172.4 | 0 | 111.1 | L122 S185 T191 | L122-K187 HydrophobicContact CD1-CB 4.42Å; L122-K187 HydrophobicContact CD2-CB 3.98Å; S185-K187 PolarHBondContact O-N 3.29Å; S185-K187 VanDerWaalsContact O-N 3.08Å; K187-T191 WeakPolarHBondContact O-CB 3.41Å; K187-T191 PolarHBondContact O-N 3.12Å; K187-T191 VanDerWaalsContact O-N 3.1Å; K187-T191 PolarHBondContact O-OG1 2.89Å |
| 188 | V | 95.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -70.5 | -45.6 | 179.3 | 178.7 | 0 | 0 | 0 | 0 | 109.7 | V118 C121 L122 L125 M180 H183 S185 D186 K190 T191 A192 | V118-V188 HydrophobicContact CG1-CG2 3.85Å; C121-V188 HydrophobicContact CB-CG1 4.22Å; C121-V188 HydrophobicContact CB-CG2 4.1Å; L122-V188 HydrophobicContact CD2-CG2 3.95Å; L122-V188 HydrophobicContact CG-CG2 4.4Å; L125-V188 HydrophobicContact CD1-CG1 3.98Å; M180-V188 HydrophobicContact CB-CG1 4.38Å; M180-V188 HydrophobicContact CE-CG1 3.45Å; M180-V188 VanDerWaalsContact CE-CG1 3.45Å; H183-V188 HydrophobicContact CB-CB 4.29Å; H183-V188 HydrophobicContact CB-CG1 3.93Å; S185-V188 WeakPolarHBondContact O-CA 3.35Å; S185-V188 WeakPolarHBondContact O-CB 3.25Å; S185-V188 PolarHBondContact O-N 2.92Å; D186-V188 VanDerWaalsContact C-N 3.31Å; D186-V188 PolarHBondContact O-N 3.35Å; V188-K190 PolarHBondContact O-N 3.04Å; V188-T191 PolarHBondContact O-N 3.45Å; V188-T191 VanDerWaalsContact O-N 3.15Å; V188-A192 WeakPolarHBondContact O-CB 3.5Å; V188-A192 PolarHBondContact O-N 3.47Å |
| 189 | V | 96.2 | Very high | 93.9 | Very high | 46 Ų | 46 | 70.1 Ų | 70.1 | 28% | 0.279 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -56.6 | -51.5 | 176.8 | 175.6 | 0 | 0 | 0 | 0 | 111.4 | K181 H183 S185 D186 T191 A192 G193 | K181-V189 VanDerWaalsContact O-CG1 3.32Å; K181-V189 WeakPolarHBondContact O-CG1 3.47Å; K181-V189 WeakPolarHBondContact O-CG2 3.34Å; H183-V189 HydrophobicContact CB-CG2 4.36Å; H183-V189 WeakPolarHBondContact O-CG2 3.4Å; S185-V189 PolarHBondContact O-N 3.34Å; S185-V189 VanDerWaalsContact O-N 3.09Å; D186-V189 PolarHBondContact O-N 2.93Å; V189-T191 VanDerWaalsContact C-N 3.28Å; V189-T191 PolarHBondContact O-N 3.48Å; V189-A192 PolarHBondContact O-N 3.33Å; V189-G193 PolarHBondContact O-N 3.05Å |
| 190 | K | 94.3 | Very high | 93.6 | Very high | 170 Ų | 170 | 68.7 Ų | 68.7 | 74% | 0.739 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -59.6 | -38.3 | 177.2 | -73.6 | 176.2 | -177.6 | -179.5 | 0 | 112.5 | D186 V188 | D186-K190 WeakPolarHBondContact O-CB 3.48Å; D186-K190 VanDerWaalsContact O-CG 3.26Å; D186-K190 WeakPolarHBondContact O-CG 3.27Å; D186-K190 PolarHBondContact O-N 3.2Å; V188-K190 PolarHBondContact O-N 3.04Å |
| 191 | T | 93.6 | Very high | 93.2 | Very high | 38 Ų | 38 | 74 Ų | 74 | 23% | 0.233 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -72 | -40.6 | 179.1 | -49.3 | 0 | 0 | 0 | 0 | 110.8 | L125 K187 V188 V189 G193 F194 | L125-T191 HydrophobicContact CB-CG2 3.7Å; L125-T191 HydrophobicContact CD1-CG2 4.16Å; K187-T191 WeakPolarHBondContact O-CB 3.41Å; K187-T191 PolarHBondContact O-N 3.12Å; K187-T191 VanDerWaalsContact O-N 3.1Å; K187-T191 PolarHBondContact O-OG1 2.89Å; V188-T191 PolarHBondContact O-N 3.45Å; V188-T191 VanDerWaalsContact O-N 3.15Å; V189-T191 VanDerWaalsContact C-N 3.28Å; V189-T191 PolarHBondContact O-N 3.48Å; T191-G193 VanDerWaalsContact C-N 3.26Å; T191-G193 PolarHBondContact O-N 3.05Å; T191-F194 WeakPolarHBondContact O-CD1 3.04Å |
| 192 | A | 95.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -68.7 | -22.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L125 I177 M180 K181 V188 V189 F194 I195 | L125-A192 HydrophobicContact CD1-CB 4.07Å; L125-A192 HydrophobicContact CD2-CB 4.14Å; I177-A192 HydrophobicContact CG2-CB 4.35Å; M180-A192 HydrophobicContact CB-CB 3.91Å; K181-A192 HydrophobicContact CG-CB 4.15Å; V188-A192 WeakPolarHBondContact O-CB 3.5Å; V188-A192 PolarHBondContact O-N 3.47Å; V189-A192 PolarHBondContact O-N 3.33Å; A192-F194 PolarHBondContact O-N 3.32Å; A192-I195 WeakPolarHBondContact O-CG2 3.22Å; A192-I195 PolarHBondContact O-N 2.94Å |
| 193 | G | 94.1 | Very high | 92.7 | Very high | 22 Ų | 22 | 72.1 Ų | 72.1 | 23% | 0.227 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -59.4 | -10.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | V189 T191 I195 D196 | V189-G193 PolarHBondContact O-N 3.05Å; T191-G193 VanDerWaalsContact C-N 3.26Å; T191-G193 PolarHBondContact O-N 3.05Å; G193-I195 PolarHBondContact O-N 3.15Å; G193-I195 VanDerWaalsContact O-N 3.14Å; G193-D196 PolarHBondContact O-N 3.15Å |
| 194 | F | 93.3 | Very high | 92.2 | Very high | 22 Ų | 22 | 73.5 Ų | 73.5 | 10% | 0.096 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -59.7 | -23.6 | 173.6 | 79.6 | -105.7 | 0 | 0 | 0 | 112.6 | L125 I128 R129 L132 I177 T191 A192 D196 C197 L199 | L125-F194 HydrophobicContact CD2-CE1 4.19Å; I128-F194 HydrophobicContact CG2-CZ 4.32Å; R129-F194 HydrophobicContact CB-CD1 3.91Å; R129-F194 HydrophobicContact CB-CD2 4.39Å; R129-F194 HydrophobicContact CB-CE1 3.8Å; R129-F194 HydrophobicContact CB-CE2 4.27Å; R129-F194 HydrophobicContact CB-CG 4.25Å; R129-F194 HydrophobicContact CB-CZ 3.99Å; R129-F194 HydrophobicContact CG-CB 4.43Å; R129-F194 HydrophobicContact CG-CD1 4.07Å; R129-F194 HydrophobicContact CG-CD2 4.16Å; R129-F194 HydrophobicContact CG-CE1 4.43Å; R129-F194 HydrophobicContact CG-CE2 4.48Å; R129-F194 HydrophobicContact CG-CG 3.97Å; L132-F194 HydrophobicContact CD1-CE2 3.88Å; L132-F194 HydrophobicContact CD1-CZ 4.35Å; I177-F194 HydrophobicContact CD1-CZ 4.05Å; I177-F194 HydrophobicContact CG2-CE1 4.48Å; I177-F194 HydrophobicContact CG2-CZ 4.36Å; T191-F194 WeakPolarHBondContact O-CD1 3.04Å; A192-F194 PolarHBondContact O-N 3.32Å; F194-D196 VanDerWaalsContact C-N 3.29Å; F194-D196 PolarHBondContact O-N 2.76Å; F194-C197 PolarHBondContact O-N 3.16Å; F194-L199 HydrophobicContact CD2-CD2 3.58Å; F194-L199 HydrophobicContact CE2-CD2 4.22Å; F194-L199 HydrophobicContact CG-CD2 4.4Å |
| 195 | I | 92.7 | Very high | 91.5 | Very high | 13 Ų | 13 | 70.6 Ų | 70.6 | 7% | 0.067 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -68.1 | -27.6 | -175.9 | -161.1 | 164 | 0 | 0 | 0 | 113 | V142 L174 I177 K181 A192 G193 | V142-I195 HydrophobicContact CB-CG1 4.45Å; V142-I195 HydrophobicContact CG1-CD1 4.43Å; V142-I195 HydrophobicContact CG1-CG1 3.57Å; V142-I195 WeakPolarHBondContact CG1-O 3.34Å; V142-I195 HydrophobicContact CG2-CG1 4.35Å; L174-I195 HydrophobicContact CB-CD1 4.38Å; I177-I195 HydrophobicContact CB-CD1 3.79Å; I177-I195 HydrophobicContact CG2-CB 4.1Å; I177-I195 HydrophobicContact CG2-CD1 3.78Å; I177-I195 HydrophobicContact CG2-CG1 4.5Å; I177-I195 HydrophobicContact CG2-CG2 4.33Å; K181-I195 HydrophobicContact CD-CG2 3.97Å; A192-I195 WeakPolarHBondContact O-CG2 3.22Å; A192-I195 PolarHBondContact O-N 2.94Å; G193-I195 PolarHBondContact O-N 3.15Å; G193-I195 VanDerWaalsContact O-N 3.14Å |
| 196 | D | 90.8 | Very high | 90.5 | Very high | 101 Ų | 101 | 71.8 Ų | 71.8 | 54% | 0.54 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -86.2 | -17.3 | 178.3 | -56.6 | -33 | 0 | 0 | 0 | 112.6 | K181 G193 F194 | K181-D196 WeakPolarHBondContact CE-OD2 3.41Å; K181-D196 IonicContact NZ-OD1 2.63Å; K181-D196 PolarHBondContact NZ-OD1 3.02Å; K181-D196 IonicContact NZ-OD2 2.94Å; K181-D196 PolarHBondContact NZ-OD2 2.94Å; G193-D196 PolarHBondContact O-N 3.15Å; F194-D196 VanDerWaalsContact C-N 3.29Å; F194-D196 PolarHBondContact O-N 2.76Å |
| 197 | C | 88.7 | Confident | 89.2 | Confident | 79 Ų | 79 | 75.9 Ų | 75.9 | 53% | 0.534 | 41% | 0.412 | S | S | . | . | S | Bend | trans | -101.7 | 150.2 | -175.7 | -62.8 | 0 | 0 | 0 | 0 | 110.6 | F194 L199 | F194-C197 PolarHBondContact O-N 3.16Å; C197-L199 PolarHBondContact O-N 3.2Å |
| 198 | P | 89.1 | Confident | 88.1 | Confident | 126 Ų | 126 | 70.7 Ų | 70.7 | 82% | 0.818 | 39% | 0.391 | S | S | * | . | P | Polyproline II helix | trans | -58 | 131.4 | 167.3 | 25.9 | -33.2 | 0 | 0 | 0 | 109.3 | ||
| 199 | L | 90.1 | Very high | 86.4 | Confident | 37 Ų | 37 | 77.7 Ų | 77.7 | 19% | 0.194 | 42% | 0.422 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 139.3 | 179.3 | -70.7 | 172.7 | 0 | 0 | 0 | 110.1 | R129 L132 I133 Q139 F194 C197 | R129-L199 HydrophobicContact CG-CD2 4.22Å; L132-L199 HydrophobicContact CB-CD1 3.64Å; I133-L199 HydrophobicContact CG1-CB 4.12Å; I133-L199 HydrophobicContact CG1-CD1 4.46Å; I133-L199 HydrophobicContact CG1-CD2 4.33Å; Q139-L199 HydrophobicContact CG-CD1 4Å; F194-L199 HydrophobicContact CD2-CD2 3.58Å; F194-L199 HydrophobicContact CE2-CD2 4.22Å; F194-L199 HydrophobicContact CG-CD2 4.4Å; C197-L199 PolarHBondContact O-N 3.2Å |
| 200 | P | 89.3 | Confident | 84.4 | Confident | 54 Ų | 54 | 77.4 Ų | 77.4 | 35% | 0.351 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 157.7 | 175.5 | 29.7 | -34.7 | 0 | 0 | 0 | 110.7 | I133 V202 L204 | I133-P200 HydrophobicContact CD1-CG 3.81Å; P200-V202 PolarHBondContact O-N 3.2Å; P200-L204 HydrophobicContact CG-CD1 4.23Å; P200-L204 HydrophobicContact CG-CG 4.32Å |
| 201 | S | 86.6 | Confident | 82.1 | Confident | 121 Ų | 121 | 72.8 Ų | 72.8 | 85% | 0.846 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -71.6 | -16.5 | 175.3 | 53 | 0 | 0 | 0 | 0 | 113.7 | ||
| 202 | V | 89.9 | Confident | 79.9 | Confident | 100 Ų | 100 | 75.1 Ų | 75.1 | 61% | 0.606 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -118.7 | 136.4 | -175.1 | -175.6 | 0 | 0 | 0 | 0 | 110.1 | P200 L204 | P200-V202 PolarHBondContact O-N 3.2Å; V202-L204 PolarHBondContact O-N 3.47Å |
| 203 | E | 90.1 | Very high | 77.1 | Confident | 67 Ų | 67 | 79.5 Ų | 79.5 | 31% | 0.313 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 137 | 173.5 | -70.4 | -171.3 | -161.4 | 0 | 0 | 111.2 | N130 I133 R134 | N130-E203 HydrophobicContact CB-CG 4.22Å; I133-E203 HydrophobicContact CG2-CG 4.22Å; R134-E203 IonicContact CZ-OE1 3.02Å; R134-E203 VanDerWaalsContact CZ-OE1 3.22Å; R134-E203 IonicContact NE-OE1 3.06Å; R134-E203 PolarHBondContact NE-OE1 3.36Å; R134-E203 IonicContact NH2-OE1 3.25Å; R134-E203 PolarHBondContact NH2-OE1 3.44Å; R134-E203 IonicContact NH2-OE2 3.64Å; R134-E203 PolarHBondContact NH2-OE2 3.01Å; R134-E203 VanDerWaalsContact NH2-OE2 3.07Å |
| 204 | L | 85.3 | Confident | 74.3 | Confident | 71 Ų | 71 | 85 Ų | 85 | 37% | 0.372 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -94.9 | 132.9 | -179.6 | -72.8 | 174.8 | 0 | 0 | 0 | 109.6 | R129 N130 P200 V202 F206 | R129-L204 VanDerWaalsContact CZ-CB 3.4Å; R129-L204 PolarHBondContact NH2-O 3.06Å; N130-L204 PolarHBondContact ND2-O 2.98Å; N130-L204 VanDerWaalsContact ND2-O 3.09Å; N130-L204 PolarHBondContact OD1-N 3.48Å; N130-L204 PolarHBondContact OD1-O 3.38Å; P200-L204 HydrophobicContact CG-CD1 4.23Å; P200-L204 HydrophobicContact CG-CG 4.32Å; V202-L204 PolarHBondContact O-N 3.47Å; L204-F206 PolarHBondContact O-N 2.87Å |
| 205 | P | 81.1 | Confident | 71.8 | Confident | 126 Ų | 126 | 88.1 Ų | 88.1 | 82% | 0.818 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 134 | 177.1 | 26.7 | -33.5 | 0 | 0 | 0 | 109.7 | ||
| 206 | F | 75.4 | Confident | 69 | Low | 47 Ų | 47 | 96 Ų | 96 | 21% | 0.206 | 51% | 0.506 | C | S | . | . | trans | -130.8 | 143.5 | 170.1 | 66.9 | -84.6 | 0 | 0 | 0 | 109.5 | T123 L127 N130 L204 L208 | T123-F206 HydrophobicContact CG2-CE2 4.34Å; L127-F206 HydrophobicContact CB-CZ 4.47Å; L127-F206 HydrophobicContact CD2-CE1 4.46Å; L127-F206 HydrophobicContact CD2-CE2 4.15Å; L127-F206 HydrophobicContact CD2-CZ 3.51Å; L127-F206 HydrophobicContact CG-CE2 3.9Å; L127-F206 HydrophobicContact CG-CZ 3.66Å; N130-F206 WeakPolarHBondContact ND2-CE1 3.22Å; L204-F206 PolarHBondContact O-N 2.87Å; F206-L208 HydrophobicContact CD2-CG 4.35Å; F206-L208 HydrophobicContact CE2-CD1 4.04Å; F206-L208 HydrophobicContact CE2-CD2 4.08Å; F206-L208 HydrophobicContact CE2-CG 3.82Å; F206-L208 HydrophobicContact CZ-CD1 4.45Å; F206-L208 PolarHBondContact O-N 3.35Å | ||
| 207 | R | 67.9 | Low | 66.6 | Low | 207 Ų | 207 | 96.5 Ų | 96.5 | 78% | 0.781 | 51% | 0.508 | S | S | * | . | trans | -87.7 | 114.1 | -177 | -74 | -170.8 | -175.3 | 178.1 | 5.4 | 110.5 | K209 | R207-K209 VanDerWaalsContact C-N 3.35Å; R207-K209 HydrophobicContact CB-CG 4.17Å; R207-K209 PolarHBondContact O-N 2.9Å; R207-K209 VanDerWaalsContact O-N 3.09Å | ||
| 208 | L | 72 | Confident | 64.3 | Low | 37 Ų | 37 | 96.3 Ų | 96.3 | 19% | 0.194 | 51% | 0.507 | C | S | . | . | trans | -75.7 | 86.3 | 161.7 | -73 | 159 | 0 | 0 | 0 | 108.3 | T82 L85 Q86 T123 F206 S210 | T82-L208 HydrophobicContact CG2-CB 4.15Å; L85-L208 HydrophobicContact CB-CD2 3.88Å; L85-L208 HydrophobicContact CD1-CD2 4.17Å; Q86-L208 HydrophobicContact CB-CD1 4.49Å; Q86-L208 HydrophobicContact CG-CD1 3.42Å; Q86-L208 VanDerWaalsContact CG-CD1 3.42Å; T123-L208 HydrophobicContact CG2-CD2 3.19Å; T123-L208 HydrophobicContact CG2-CG 4.36Å; F206-L208 HydrophobicContact CD2-CG 4.35Å; F206-L208 HydrophobicContact CE2-CD1 4.04Å; F206-L208 HydrophobicContact CE2-CD2 4.08Å; F206-L208 HydrophobicContact CE2-CG 3.82Å; F206-L208 HydrophobicContact CZ-CD1 4.45Å; F206-L208 PolarHBondContact O-N 3.35Å; L208-S210 PolarHBondContact O-N 2.89Å | ||
| 209 | K | 59.1 | Low | 61.8 | Low | 148 Ų | 148 | 96.7 Ų | 96.7 | 64% | 0.643 | 50% | 0.496 | S | S | * | . | trans | -77.7 | 119.8 | 178.5 | -70.7 | -170.3 | 179.5 | -176.6 | 0 | 110.2 | T82 R207 | T82-K209 VanDerWaalsContact CG2-C 3.49Å; T82-K209 VanDerWaalsContact CG2-O 3.29Å; T82-K209 WeakPolarHBondContact CG2-O 3.47Å; R207-K209 VanDerWaalsContact C-N 3.35Å; R207-K209 HydrophobicContact CB-CG 4.17Å; R207-K209 PolarHBondContact O-N 2.9Å; R207-K209 VanDerWaalsContact O-N 3.09Å | ||
| 210 | S | 54.4 | Low | 59.5 | Low | 39 Ų | 39 | 100.7 Ų | 100.7 | 27% | 0.273 | 52% | 0.517 | S | S | . | . | trans | -71.5 | 137.3 | 170.3 | 67.4 | 0 | 0 | 0 | 0 | 109.9 | L208 V212 N213 | L208-S210 PolarHBondContact O-N 2.89Å; S210-V212 PolarHBondContact O-N 3.39Å; S210-V212 VanDerWaalsContact O-N 3.13Å; S210-N213 PolarHBondContact O-N 3.08Å | ||
| 211 | N | 46 | Very low | 57.6 | Low | 74 Ų | 74 | 102.8 Ų | 102.8 | 40% | 0.396 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -17.9 | 176 | -83.7 | -19 | 0 | 0 | 0 | 112.9 | R81 N213 R214 | R81-N211 PolarHBondContact NH1-ND2 3.04Å; R81-N211 VanDerWaalsContact NH1-ND2 3.17Å; R81-N211 PolarHBondContact NH2-ND2 3.34Å; R81-N211 VanDerWaalsContact NH2-ND2 3.14Å; R81-N211 PolarHBondContact NH2-OD1 2.8Å; N211-N213 PolarHBondContact O-N 3Å; N211-N213 VanDerWaalsContact O-N 3.14Å; N211-R214 PolarHBondContact O-N 2.93Å |
| 212 | V | 47 | Very low | 56.1 | Low | 87 Ų | 87 | 103.4 Ų | 103.4 | 53% | 0.527 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -56.4 | -31.2 | 177.1 | -174.9 | 0 | 0 | 0 | 0 | 111.3 | S210 | S210-V212 PolarHBondContact O-N 3.39Å; S210-V212 VanDerWaalsContact O-N 3.13Å |
| 213 | N | 35.4 | Very low | 54.1 | Low | 92 Ų | 92 | 105.4 Ų | 105.4 | 49% | 0.492 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -80.4 | -19.5 | 177.5 | -71.6 | -23.7 | 0 | 0 | 0 | 114.2 | S210 N211 L217 | S210-N213 PolarHBondContact O-N 3.08Å; N211-N213 PolarHBondContact O-N 3Å; N211-N213 VanDerWaalsContact O-N 3.14Å; N213-L217 VanDerWaalsContact O-CD1 3.31Å; N213-L217 WeakPolarHBondContact O-CD1 3.23Å; N213-L217 PolarHBondContact O-N 3.46Å; N213-L217 VanDerWaalsContact O-N 3.12Å |
| 214 | R | 37.1 | Very low | 52.1 | Low | 137 Ų | 137 | 115.8 Ų | 115.8 | 52% | 0.517 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -74.9 | -35.2 | 175.9 | -92 | -172.6 | 179.5 | -170.2 | 1.9 | 112.6 | D119 N211 L217 C218 | D119-R214 VanDerWaalsContact CG-NH2 3.3Å; D119-R214 IonicContact OD1-CZ 2.57Å; D119-R214 VanDerWaalsContact OD1-CZ 3.29Å; D119-R214 IonicContact OD1-NH1 3.16Å; D119-R214 IonicContact OD1-NH2 3.26Å; D119-R214 PolarHBondContact OD1-NH2 3.48Å; D119-R214 IonicContact OD2-CZ 3.29Å; D119-R214 IonicContact OD2-NH1 3.59Å; D119-R214 PolarHBondContact OD2-NH1 3.12Å; D119-R214 IonicContact OD2-NH2 2.65Å; D119-R214 PolarHBondContact OD2-NH2 3.17Å; N211-R214 PolarHBondContact O-N 2.93Å; R214-L217 PolarHBondContact O-N 2.83Å; R214-C218 PolarHBondContact O-N 3.25Å; R214-C218 PolarHBondContact O-SG 3.11Å |
| 215 | V | 39.2 | Very low | 50.4 | Low | 87 Ų | 87 | 118 Ų | 118 | 53% | 0.527 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -65.9 | -43.1 | 176 | -176.3 | 0 | 0 | 0 | 0 | 109.9 | L217 C218 F219 | V215-L217 PolarHBondContact O-N 2.96Å; V215-C218 PolarHBondContact O-N 3.15Å; V215-F219 HydrophobicContact CG1-CD2 3.78Å; V215-F219 HydrophobicContact CG1-CE2 3.73Å; V215-F219 VanDerWaalsContact O-CD2 3.29Å; V215-F219 WeakPolarHBondContact O-CD2 3.35Å; V215-F219 PolarHBondContact O-N 3.06Å |
| 216 | R | 35.7 | Very low | 48.8 | Very low | 179 Ų | 179 | 117.6 Ų | 117.6 | 68% | 0.675 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -63.7 | -38.2 | 175.6 | -75.3 | -173.1 | 173.7 | -174 | -1.2 | 113.4 | L220 | R216-L220 WeakPolarHBondContact O-CB 3.37Å; R216-L220 WeakPolarHBondContact O-CD1 3.42Å; R216-L220 WeakPolarHBondContact O-CG 3.39Å; R216-L220 PolarHBondContact O-N 2.97Å |
| 217 | L | 38.4 | Very low | 47.3 | Very low | 112 Ų | 112 | 121.5 Ų | 121.5 | 59% | 0.586 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -72.8 | -35.7 | 176 | -95.3 | 113.9 | 0 | 0 | 0 | 113.2 | N213 R214 V215 L220 T221 | N213-L217 VanDerWaalsContact O-CD1 3.31Å; N213-L217 WeakPolarHBondContact O-CD1 3.23Å; N213-L217 PolarHBondContact O-N 3.46Å; N213-L217 VanDerWaalsContact O-N 3.12Å; R214-L217 PolarHBondContact O-N 2.83Å; V215-L217 PolarHBondContact O-N 2.96Å; L217-L220 PolarHBondContact O-N 3.12Å; L217-T221 WeakPolarHBondContact O-CB 3.34Å; L217-T221 PolarHBondContact O-N 3.33Å; L217-T221 PolarHBondContact O-OG1 3.28Å |
| 218 | C | 41.1 | Very low | 46.1 | Very low | 75 Ų | 75 | 116.5 Ų | 116.5 | 51% | 0.507 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.5 | -40 | 173.9 | -72.9 | 0 | 0 | 0 | 0 | 111.7 | R214 V215 T221 I222 | R214-C218 PolarHBondContact O-N 3.25Å; R214-C218 PolarHBondContact O-SG 3.11Å; V215-C218 PolarHBondContact O-N 3.15Å; C218-T221 PolarHBondContact O-N 3.22Å; C218-I222 WeakPolarHBondContact O-CB 3.26Å; C218-I222 WeakPolarHBondContact O-CD1 3.18Å; C218-I222 WeakPolarHBondContact O-CG1 3.32Å; C218-I222 PolarHBondContact O-N 3.2Å |
| 219 | F | 36.4 | Very low | 44.5 | Very low | 133 Ų | 133 | 121.4 Ų | 121.4 | 58% | 0.583 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.9 | -36.9 | 174.7 | -83.1 | -75.7 | 0 | 0 | 0 | 112.9 | V215 T221 I222 L223 | V215-F219 HydrophobicContact CG1-CD2 3.78Å; V215-F219 HydrophobicContact CG1-CE2 3.73Å; V215-F219 VanDerWaalsContact O-CD2 3.29Å; V215-F219 WeakPolarHBondContact O-CD2 3.35Å; V215-F219 PolarHBondContact O-N 3.06Å; F219-T221 VanDerWaalsContact C-N 3.31Å; F219-T221 PolarHBondContact O-N 3.37Å; F219-I222 PolarHBondContact O-N 3.45Å; F219-L223 WeakPolarHBondContact O-CB 3.25Å; F219-L223 WeakPolarHBondContact O-CG 3.36Å; F219-L223 PolarHBondContact O-N 3.38Å; F219-L223 VanDerWaalsContact O-N 3.1Å |
| 220 | L | 41.8 | Very low | 43.5 | Very low | 121 Ų | 121 | 119.7 Ų | 119.7 | 63% | 0.634 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -73.8 | -20.4 | 176.1 | -78.8 | 162.1 | 0 | 0 | 0 | 114 | R216 L217 | R216-L220 WeakPolarHBondContact O-CB 3.37Å; R216-L220 WeakPolarHBondContact O-CD1 3.42Å; R216-L220 WeakPolarHBondContact O-CG 3.39Å; R216-L220 PolarHBondContact O-N 2.97Å; L217-L220 PolarHBondContact O-N 3.12Å |
| 221 | T | 49.5 | Very low | 42.8 | Very low | 99 Ų | 99 | 125.4 Ų | 125.4 | 61% | 0.607 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -93 | -15.2 | 175.7 | -38.5 | 0 | 0 | 0 | 0 | 112.1 | L217 C218 F219 | L217-T221 WeakPolarHBondContact O-CB 3.34Å; L217-T221 PolarHBondContact O-N 3.33Å; L217-T221 PolarHBondContact O-OG1 3.28Å; C218-T221 PolarHBondContact O-N 3.22Å; F219-T221 VanDerWaalsContact C-N 3.31Å; F219-T221 PolarHBondContact O-N 3.37Å |
| 222 | I | 54.3 | Low | 42.5 | Very low | 134 Ų | 134 | 129.4 Ų | 129.4 | 69% | 0.687 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -91.9 | -16.5 | 171.9 | -66.1 | 166.8 | 0 | 0 | 0 | 111.3 | C218 F219 | C218-I222 WeakPolarHBondContact O-CB 3.26Å; C218-I222 WeakPolarHBondContact O-CD1 3.18Å; C218-I222 WeakPolarHBondContact O-CG1 3.32Å; C218-I222 PolarHBondContact O-N 3.2Å; F219-I222 PolarHBondContact O-N 3.45Å |
| 223 | L | 48.1 | Very low | 42.1 | Very low | 142 Ų | 142 | 132.9 Ų | 132.9 | 74% | 0.743 | 64% | 0.636 | S | S | * | * | trans | -104.9 | 21.3 | 177.6 | -70 | 167.7 | 0 | 0 | 0 | 113.9 | F219 | F219-L223 WeakPolarHBondContact O-CB 3.25Å; F219-L223 WeakPolarHBondContact O-CG 3.36Å; F219-L223 PolarHBondContact O-N 3.38Å; F219-L223 VanDerWaalsContact O-N 3.1Å | ||
| 224 | R | 48.6 | Very low | 42.7 | Very low | 284 Ų | 284 | 136.6 Ų | 136.6 | 100% | 1.072 | 65% | 0.649 | S | S | * | * | trans | -129.1 | 0 | 168.2 | -91.4 | -173.3 | 172 | -177.1 | -2.1 | 109.5 |
Retrieved 224 of 224 residues in 118.4 ms
(Link to these results)