| 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 | 46.9 | Very low | 46 | Very low | 246 Ų | 246 | 138.2 Ų | 138.2 | 100% | 1.212 | 82% | 0.815 | S | S | * | * | 0 | 112.4 | 0 | -76.4 | 175.8 | 173.5 | 0 | 0 | 105.9 | |||||
| 2 | E | 42.7 | Very low | 46.9 | Very low | 200 Ų | 200 | 134.6 Ų | 134.6 | 94% | 0.935 | 81% | 0.812 | S | S | * | * | trans | -62.6 | 135.8 | -172.3 | -70.1 | 178.8 | 148 | 0 | 0 | 111.2 | G4 | E2-G4 PolarHBondContact O-N 3.39Š| ||
| 3 | G | 40 | Very low | 48 | Very low | 74 Ų | 74 | 137 Ų | 137 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | trans | -67.2 | 121.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | E5 | G3-E5 PolarHBondContact O-N 3.29Å; G3-E5 VanDerWaalsContact O-N 3.09Å | ||
| 4 | G | 46.2 | Very low | 49.1 | Very low | 73 Ų | 73 | 140.8 Ų | 140.8 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | trans | -64.2 | 107.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | E2 S6 | E2-G4 PolarHBondContact O-N 3.39Å; G4-S6 PolarHBondContact O-N 3.03Å | ||
| 5 | E | 46.5 | Very low | 50.9 | Low | 190 Ų | 190 | 142 Ų | 142 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | trans | -58.8 | 107.3 | 164 | -68.7 | -175.1 | 157.3 | 0 | 0 | 107.5 | G3 F7 | G3-E5 PolarHBondContact O-N 3.29Å; G3-E5 VanDerWaalsContact O-N 3.09Å; E5-F7 VanDerWaalsContact C-N 3.34Å; E5-F7 PolarHBondContact O-N 3Å | ||
| 6 | S | 44 | Very low | 53.2 | Low | 116 Ų | 116 | 143.1 Ų | 143.1 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | -65.5 | 99.4 | 171.8 | -62.4 | 0 | 0 | 0 | 0 | 106.8 | G4 N8 | G4-S6 PolarHBondContact O-N 3.03Å; S6-N8 VanDerWaalsContact C-N 3.32Å; S6-N8 PolarHBondContact O-N 3.46Å | ||
| 7 | F | 43.4 | Very low | 55.4 | Low | 198 Ų | 198 | 139.5 Ų | 139.5 | 87% | 0.868 | 77% | 0.765 | S | S | * | * | trans | -60 | 101.3 | 171.4 | -157.3 | -97 | 0 | 0 | 0 | 106.3 | E5 S9 | E5-F7 VanDerWaalsContact C-N 3.34Å; E5-F7 PolarHBondContact O-N 3Å; F7-S9 PolarHBondContact O-N 3.44Å | ||
| 8 | N | 46.8 | Very low | 57.5 | Low | 138 Ų | 138 | 140.2 Ų | 140.2 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | trans | -62.7 | 94 | 176 | -170.6 | 22.1 | 0 | 0 | 0 | 106 | S6 S10 | S6-N8 VanDerWaalsContact C-N 3.32Å; S6-N8 PolarHBondContact O-N 3.46Å; N8-S10 PolarHBondContact O-N 2.99Å | ||
| 9 | S | 48 | Very low | 59.6 | Low | 98 Ų | 98 | 135.4 Ų | 135.4 | 69% | 0.685 | 73% | 0.729 | S | S | * | * | trans | -65.9 | 81.7 | 160.2 | 75.1 | 0 | 0 | 0 | 0 | 104.3 | F7 S11 | F7-S9 PolarHBondContact O-N 3.44Å; S9-S11 PolarHBondContact O-N 3.42Å | ||
| 10 | S | 49.4 | Very low | 61.4 | Low | 92 Ų | 92 | 130.8 Ų | 130.8 | 64% | 0.643 | 71% | 0.706 | S | S | * | * | trans | -45.5 | 108.7 | 156.5 | 47.9 | 0 | 0 | 0 | 0 | 103.6 | N8 A12 | N8-S10 PolarHBondContact O-N 2.99Å; S10-A12 PolarHBondContact O-N 2.67Å | ||
| 11 | S | 51.9 | Low | 63 | Low | 95 Ų | 95 | 132.1 Ų | 132.1 | 66% | 0.664 | 71% | 0.705 | S | S | * | * | trans | -36 | 121.7 | 176.6 | 46.1 | 0 | 0 | 0 | 0 | 105.7 | S9 E13 | S9-S11 PolarHBondContact O-N 3.42Å; S11-E13 WeakPolarHBondContact O-CA 3.4Å; S11-E13 PolarHBondContact O-N 3.27Å | ||
| 12 | A | 57.3 | Low | 65.4 | Low | 95 Ų | 95 | 125.3 Ų | 125.3 | 79% | 0.785 | 67% | 0.671 | S | S | * | * | trans | -57.3 | 85 | 175.3 | 0 | 0 | 0 | 0 | 0 | 106.2 | S10 H14 | S10-A12 PolarHBondContact O-N 2.67Å; A12-H14 PolarHBondContact O-N 2.98Å | ||
| 13 | E | 60.3 | Low | 68 | Low | 166 Ų | 166 | 116.1 Ų | 116.1 | 78% | 0.776 | 63% | 0.628 | S | S | * | * | trans | -60.4 | 115.8 | -169.5 | -173.1 | 169.3 | -164.1 | 0 | 0 | 102.7 | S11 R15 | S11-E13 WeakPolarHBondContact O-CA 3.4Å; S11-E13 PolarHBondContact O-N 3.27Å; E13-R15 WeakPolarHBondContact O-CG 2.82Å; E13-R15 PolarHBondContact O-N 3.28Å | ||
| 14 | H | 64.2 | Low | 70.8 | Confident | 190 Ų | 190 | 116.2 Ų | 116.2 | 88% | 0.88 | 61% | 0.605 | S | S | * | * | trans | -52.5 | 89.9 | -168.9 | -75.3 | -76.9 | 0 | 0 | 0 | 109 | A12 K16 | A12-H14 PolarHBondContact O-N 2.98Å; H14-K16 PolarHBondContact O-N 3.21Å; H14-K16 VanDerWaalsContact O-N 3.08Å | ||
| 15 | R | 76.3 | Confident | 73.2 | Confident | 159 Ų | 159 | 117 Ų | 117 | 60% | 0.6 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 116.8 | -176.8 | -78.3 | -155.1 | -76.1 | -100.4 | 1.7 | 104.7 | E13 R17 D46 | E13-R15 WeakPolarHBondContact O-CG 2.82Å; E13-R15 PolarHBondContact O-N 3.28Å; R15-R17 PolarHBondContact O-N 3.06Å; R15-R17 VanDerWaalsContact O-N 3.1Å; R15-D46 IonicContact CZ-OD1 3.78Å; R15-D46 IonicContact CZ-OD2 3.51Å; R15-D46 IonicContact NE-OD1 3.01Å; R15-D46 PolarHBondContact NE-OD1 3.17Å; R15-D46 IonicContact NE-OD2 3.46Å; R15-D46 PolarHBondContact NE-OD2 3.35Å; R15-D46 IonicContact NH2-OD1 3.76Å; R15-D46 IonicContact NH2-OD2 2.76Å; R15-D46 PolarHBondContact NH2-OD2 3.27Å |
| 16 | K | 87.2 | Confident | 75.7 | Confident | 159 Ų | 159 | 112.7 Ų | 112.7 | 69% | 0.691 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 121.3 | 176.7 | -70.9 | -177.9 | -179.1 | 177.4 | 0 | 107.6 | H14 Y18 | H14-K16 PolarHBondContact O-N 3.21Å; H14-K16 VanDerWaalsContact O-N 3.08Å; K16-Y18 HydrophobicContact CB-CE2 3.99Å; K16-Y18 WeakPolarHBondContact O-CD2 3.34Å; K16-Y18 WeakPolarHBondContact O-CE2 3.39Å |
| 17 | R | 91.2 | Very high | 78.3 | Confident | 82 Ų | 82 | 108.2 Ų | 108.2 | 31% | 0.309 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -86.3 | 128.1 | 174.7 | -55.6 | -56.3 | -173.3 | -160.2 | 4.9 | 108.6 | R15 T20 D42 D46 | R15-R17 PolarHBondContact O-N 3.06Å; R15-R17 VanDerWaalsContact O-N 3.1Å; R17-T20 VanDerWaalsContact CB-OG1 3.23Å; R17-T20 WeakPolarHBondContact CB-OG1 3.37Å; R17-D42 IonicContact CZ-OD2 3.09Å; R17-D42 VanDerWaalsContact NE-CG 3.33Å; R17-D42 IonicContact NE-OD1 2.69Å; R17-D42 IonicContact NE-OD2 3.83Å; R17-D42 PolarHBondContact NE-OD2 3Å; R17-D42 VanDerWaalsContact NE-OD2 3.09Å; R17-D42 IonicContact NH2-OD2 3.4Å; R17-D42 PolarHBondContact NH2-OD2 3.28Å; R17-D46 IonicContact CZ-OD1 3.53Å; R17-D46 IonicContact NH1-OD1 3.98Å; R17-D46 PolarHBondContact NH1-OD1 3.47Å; R17-D46 IonicContact NH1-OD2 2.91Å; R17-D46 IonicContact NH2-OD2 3.89Å |
| 18 | Y | 93.4 | Very high | 80.9 | Confident | 152 Ų | 152 | 105.3 Ų | 105.3 | 60% | 0.596 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -106.3 | -31.8 | -172.8 | -66.6 | -84.4 | 0 | 0 | 0 | 112.4 | K16 D45 I49 | K16-Y18 HydrophobicContact CB-CE2 3.99Å; K16-Y18 WeakPolarHBondContact O-CD2 3.34Å; K16-Y18 WeakPolarHBondContact O-CE2 3.39Å; Y18-D45 PolarHBondContact N-OD2 3.11Å; Y18-D45 VanDerWaalsContact N-OD2 3.15Å; Y18-I49 HydrophobicContact CD2-CD1 3.82Å; Y18-I49 HydrophobicContact CD2-CG1 4.3Å; Y18-I49 HydrophobicContact CG-CD1 4.31Å |
| 19 | L | 96.2 | Very high | 83.3 | Confident | 50 Ų | 50 | 102 Ų | 102 | 26% | 0.262 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -122.1 | 14.9 | -166 | -57.2 | 174.3 | 0 | 0 | 0 | 112.4 | K21 E22 L23 D45 V48 | L19-K21 VanDerWaalsContact C-N 3.28Å; L19-K21 PolarHBondContact O-N 2.82Å; L19-E22 WeakPolarHBondContact CA-OE2 3.49Å; L19-E22 PolarHBondContact O-N 3.27Å; L19-L23 HydrophobicContact CB-CD1 3.84Å; L19-L23 HydrophobicContact CB-CG 3.82Å; L19-L23 VanDerWaalsContact O-CB 3.28Å; L19-L23 WeakPolarHBondContact O-CB 3.15Å; L19-L23 VanDerWaalsContact O-CG 3.23Å; L19-L23 WeakPolarHBondContact O-CG 3.39Å; L19-L23 PolarHBondContact O-N 2.98Å; L19-D45 PolarHBondContact N-OD2 2.81Å; L19-V48 HydrophobicContact CD1-CB 4.31Å; L19-V48 HydrophobicContact CD1-CG1 3.55Å |
| 20 | T | 95.4 | Very high | 85.6 | Confident | 43 Ų | 43 | 105.5 Ų | 105.5 | 26% | 0.264 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -52.5 | -43.7 | -174.2 | -57.4 | 0 | 0 | 0 | 0 | 113.1 | R17 R24 V41 | R17-T20 VanDerWaalsContact CB-OG1 3.23Å; R17-T20 WeakPolarHBondContact CB-OG1 3.37Å; T20-R24 VanDerWaalsContact O-CG 3.3Å; T20-R24 WeakPolarHBondContact O-CG 3.42Å; T20-R24 PolarHBondContact O-N 3.15Å; T20-R24 VanDerWaalsContact O-N 3.16Å; T20-V41 HydrophobicContact CG2-CG1 3.99Å |
| 21 | K | 95.9 | Very high | 87.9 | Confident | 159 Ų | 159 | 104.4 Ų | 104.4 | 69% | 0.691 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -70.6 | -46.7 | -176.7 | -177.2 | -176.2 | 176.6 | -174.3 | 0 | 110.7 | L19 R24 C25 | L19-K21 VanDerWaalsContact C-N 3.28Å; L19-K21 PolarHBondContact O-N 2.82Å; K21-R24 PolarHBondContact O-N 2.91Å; K21-C25 PolarHBondContact O-N 3.47Å |
| 22 | E | 97.3 | Very high | 90.1 | Very high | 103 Ų | 103 | 102.5 Ų | 102.5 | 48% | 0.481 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.2 | -44.8 | -179.1 | -65.2 | 69.2 | -153.8 | 0 | 0 | 110.6 | L19 C25 M26 | L19-E22 WeakPolarHBondContact CA-OE2 3.49Å; L19-E22 PolarHBondContact O-N 3.27Å; E22-C25 PolarHBondContact O-N 2.92Å; E22-M26 VanDerWaalsContact O-CB 3.27Å; E22-M26 WeakPolarHBondContact O-CB 3.27Å; E22-M26 PolarHBondContact O-N 3.18Å |
| 23 | L | 98.1 | Very high | 92 | Very high | 7 Ų | 7 | 100.6 Ų | 100.6 | 4% | 0.037 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -67.2 | -36 | -180 | -69 | 178.5 | 0 | 0 | 0 | 112.5 | L19 M26 L27 V41 L44 D45 V48 | L19-L23 HydrophobicContact CB-CD1 3.84Å; L19-L23 HydrophobicContact CB-CG 3.82Å; L19-L23 VanDerWaalsContact O-CB 3.28Å; L19-L23 WeakPolarHBondContact O-CB 3.15Å; L19-L23 VanDerWaalsContact O-CG 3.23Å; L19-L23 WeakPolarHBondContact O-CG 3.39Å; L19-L23 PolarHBondContact O-N 2.98Å; L23-M26 HydrophobicContact CD2-SD 4.42Å; L23-M26 PolarHBondContact O-N 3.46Å; L23-L27 WeakPolarHBondContact O-CB 3.14Å; L23-L27 VanDerWaalsContact O-CG 3.29Å; L23-L27 WeakPolarHBondContact O-CG 3.41Å; L23-L27 PolarHBondContact O-N 2.79Å; L23-V41 HydrophobicContact CB-CG1 4.15Å; L23-L44 HydrophobicContact CB-CD2 4.44Å; L23-L44 HydrophobicContact CD1-CB 4.23Å; L23-L44 HydrophobicContact CD1-CD2 4.48Å; L23-L44 HydrophobicContact CD1-CG 4.13Å; L23-L44 HydrophobicContact CD2-CD2 3.79Å; L23-L44 HydrophobicContact CD2-CG 3.99Å; L23-L44 HydrophobicContact CG-CD2 4.45Å; L23-D45 VanDerWaalsContact CD1-CA 3.5Å; L23-D45 HydrophobicContact CD1-CB 3.79Å; L23-V48 HydrophobicContact CD2-CG2 4.44Å |
| 24 | R | 97.7 | Very high | 93.7 | Very high | 75 Ų | 75 | 101 Ų | 101 | 28% | 0.283 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.1 | -47.4 | 173.4 | -78.8 | 177.2 | -175.1 | -74.7 | 0.9 | 112 | T20 K21 M26 Y28 P36 T38 V41 | T20-R24 VanDerWaalsContact O-CG 3.3Å; T20-R24 WeakPolarHBondContact O-CG 3.42Å; T20-R24 PolarHBondContact O-N 3.15Å; T20-R24 VanDerWaalsContact O-N 3.16Å; K21-R24 PolarHBondContact O-N 2.91Å; R24-M26 VanDerWaalsContact C-N 3.32Å; R24-Y28 PolarHBondContact O-N 3.39Å; R24-P36 PolarHBondContact NH1-O 3.35Å; R24-T38 PolarHBondContact NH2-OG1 3.18Å; R24-V41 HydrophobicContact CG-CB 4.47Å; R24-V41 HydrophobicContact CG-CG1 4.08Å; R24-V41 HydrophobicContact CG-CG2 3.55Å |
| 25 | C | 97.6 | Very high | 95.2 | Very high | 90 Ų | 90 | 99.9 Ų | 99.9 | 61% | 0.608 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.6 | -39.5 | 176.3 | -68.4 | 0 | 0 | 0 | 0 | 111.7 | K21 E22 G29 | K21-C25 PolarHBondContact O-N 3.47Å; E22-C25 PolarHBondContact O-N 2.92Å; C25-G29 PolarHBondContact O-N 3.02Å |
| 26 | M | 97.7 | Very high | 96.2 | Very high | 99 Ų | 99 | 92.6 Ų | 92.6 | 49% | 0.488 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.3 | -48.1 | 179.4 | -174.3 | 173.4 | -66.2 | 0 | 0 | 111.7 | E22 L23 R24 Y28 G29 F30 | E22-M26 VanDerWaalsContact O-CB 3.27Å; E22-M26 WeakPolarHBondContact O-CB 3.27Å; E22-M26 PolarHBondContact O-N 3.18Å; L23-M26 HydrophobicContact CD2-SD 4.42Å; L23-M26 PolarHBondContact O-N 3.46Å; R24-M26 VanDerWaalsContact C-N 3.32Å; M26-Y28 VanDerWaalsContact C-N 3.32Å; M26-Y28 PolarHBondContact O-N 3.39Å; M26-G29 CarbonylContact O-C 3.48Å; M26-G29 WeakPolarHBondContact O-CA 3.05Å; M26-G29 PolarHBondContact O-N 3.11Å; M26-F30 HydrophobicContact CG-CD2 3.58Å; M26-F30 HydrophobicContact CG-CE2 3.44Å; M26-F30 VanDerWaalsContact CG-CE2 3.44Å; M26-F30 VanDerWaalsContact O-CD2 3.22Å; M26-F30 WeakPolarHBondContact O-CD2 3.29Å; M26-F30 PolarHBondContact O-N 3.01Å; M26-F30 HydrophobicContact SD-CE2 4Å |
| 27 | L | 98.3 | Very high | 96.7 | Very high | 22 Ų | 22 | 93.2 Ų | 93.2 | 12% | 0.115 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -54.6 | -47.5 | 176.4 | -79.3 | 168 | 0 | 0 | 0 | 111.3 | L23 G29 F30 G31 D32 P36 T40 V41 L44 | L23-L27 WeakPolarHBondContact O-CB 3.14Å; L23-L27 VanDerWaalsContact O-CG 3.29Å; L23-L27 WeakPolarHBondContact O-CG 3.41Å; L23-L27 PolarHBondContact O-N 2.79Å; L27-G29 VanDerWaalsContact C-N 3.32Å; L27-G29 PolarHBondContact O-N 2.72Å; L27-F30 CarbonylContact O-C 3.49Å; L27-F30 WeakPolarHBondContact O-CA 3.31Å; L27-F30 PolarHBondContact O-N 2.93Å; L27-G31 PolarHBondContact O-N 3.35Å; L27-G31 VanDerWaalsContact O-N 3.17Å; L27-D32 HydrophobicContact CB-CB 3.84Å; L27-D32 VanDerWaalsContact O-CB 3.23Å; L27-D32 WeakPolarHBondContact O-CB 3.48Å; L27-D32 PolarHBondContact O-N 2.95Å; L27-P36 HydrophobicContact CB-CB 4.39Å; L27-P36 HydrophobicContact CB-CG 3.94Å; L27-P36 HydrophobicContact CD1-CB 3.89Å; L27-P36 HydrophobicContact CD1-CG 4.24Å; L27-T40 HydrophobicContact CD1-CG2 4.13Å; L27-T40 HydrophobicContact CD2-CG2 4.35Å; L27-V41 HydrophobicContact CD1-CG2 3.76Å; L27-L44 HydrophobicContact CD1-CD2 4.29Å; L27-L44 HydrophobicContact CD2-CD2 3.85Å; L27-L44 HydrophobicContact CG-CD2 3.96Å |
| 28 | Y | 97.7 | Very high | 96.9 | Very high | 138 Ų | 138 | 92.6 Ų | 92.6 | 54% | 0.541 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.8 | -42.4 | 174.6 | -178.4 | -122 | 0 | 0 | 0 | 112.1 | R24 M26 F30 G31 D32 K34 | R24-Y28 PolarHBondContact O-N 3.39Å; M26-Y28 VanDerWaalsContact C-N 3.32Å; M26-Y28 PolarHBondContact O-N 3.39Å; Y28-F30 PolarHBondContact O-N 2.75Å; Y28-G31 PolarHBondContact O-N 3.41Å; Y28-D32 WeakPolarHBondContact CD2-O 3.47Å; Y28-K34 HydrophobicContact CD2-CB 4.42Å; Y28-K34 HydrophobicContact CE2-CB 4.28Å |
| 29 | G | 97.7 | Very high | 97.1 | Very high | 68 Ų | 68 | 92 Ų | 92 | 70% | 0.701 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -62.8 | -26.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | C25 M26 L27 G31 | C25-G29 PolarHBondContact O-N 3.02Å; M26-G29 CarbonylContact O-C 3.48Å; M26-G29 WeakPolarHBondContact O-CA 3.05Å; M26-G29 PolarHBondContact O-N 3.11Å; L27-G29 VanDerWaalsContact C-N 3.32Å; L27-G29 PolarHBondContact O-N 2.72Å; G29-G31 VanDerWaalsContact C-N 3.34Å |
| 30 | F | 97.3 | Very high | 97.1 | Very high | 172 Ų | 172 | 92.2 Ų | 92.2 | 75% | 0.754 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | 2.8 | 173.3 | -80.7 | -74.8 | 0 | 0 | 0 | 113.8 | M26 L27 Y28 | M26-F30 HydrophobicContact CG-CD2 3.58Å; M26-F30 HydrophobicContact CG-CE2 3.44Å; M26-F30 VanDerWaalsContact CG-CE2 3.44Å; M26-F30 VanDerWaalsContact O-CD2 3.22Å; M26-F30 WeakPolarHBondContact O-CD2 3.29Å; M26-F30 PolarHBondContact O-N 3.01Å; M26-F30 HydrophobicContact SD-CE2 4Å; L27-F30 CarbonylContact O-C 3.49Å; L27-F30 WeakPolarHBondContact O-CA 3.31Å; L27-F30 PolarHBondContact O-N 2.93Å; Y28-F30 PolarHBondContact O-N 2.75Å |
| 31 | G | 97.6 | Very high | 97.2 | Very high | 69 Ų | 69 | 90.1 Ų | 90.1 | 71% | 0.711 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98 | 11.8 | 175 | 0 | 0 | 0 | 0 | 0 | 115.4 | L27 Y28 G29 | L27-G31 PolarHBondContact O-N 3.35Å; L27-G31 VanDerWaalsContact O-N 3.17Å; Y28-G31 PolarHBondContact O-N 3.41Å; G29-G31 VanDerWaalsContact C-N 3.34Å |
| 32 | D | 97.4 | Very high | 97.2 | Very high | 55 Ų | 55 | 84.5 Ų | 84.5 | 29% | 0.294 | 44% | 0.442 | S | S | . | . | trans | -69.4 | 174.2 | 166.2 | -152.6 | -41.7 | 0 | 0 | 0 | 110.7 | L27 Y28 P36 | L27-D32 HydrophobicContact CB-CB 3.84Å; L27-D32 VanDerWaalsContact O-CB 3.23Å; L27-D32 WeakPolarHBondContact O-CB 3.48Å; L27-D32 PolarHBondContact O-N 2.95Å; Y28-D32 WeakPolarHBondContact CD2-O 3.47Å; D32-P36 HydrophobicContact CB-CG 4.47Å | ||
| 33 | S | 96.5 | Very high | 97.2 | Very high | 55 Ų | 55 | 84.7 Ų | 84.7 | 39% | 0.385 | 45% | 0.445 | S | S | . | . | trans | -62.2 | 158.1 | 173.3 | 67.2 | 0 | 0 | 0 | 0 | 112.9 | Q35 P36 | S33-Q35 PolarHBondContact O-N 3.42Å; S33-Q35 VanDerWaalsContact OG-C 3.24Å; S33-Q35 PolarHBondContact OG-O 3.19Å; S33-P36 VanDerWaalsContact O-CD 3.24Å; S33-P36 WeakPolarHBondContact O-CD 3.04Å; S33-P36 WeakPolarHBondContact O-CG 3.44Å; S33-P36 WeakPolarHBondContact OG-CA 3.32Å | ||
| 34 | K | 96.3 | Very high | 97.2 | Very high | 174 Ų | 174 | 86.6 Ų | 86.6 | 76% | 0.757 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -61.3 | -24.7 | 174.7 | -175.3 | 176.9 | 178.8 | -179.4 | 0 | 112.7 | Y28 | Y28-K34 HydrophobicContact CD2-CB 4.42Å; Y28-K34 HydrophobicContact CE2-CB 4.28Å |
| 35 | Q | 95.8 | Very high | 97.2 | Very high | 166 Ų | 166 | 83.1 Ų | 83.1 | 78% | 0.776 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -124.7 | 76.8 | 176 | -63.5 | 179.7 | 36.4 | 0 | 0 | 109 | S33 | S33-Q35 PolarHBondContact O-N 3.42Å; S33-Q35 VanDerWaalsContact OG-C 3.24Å; S33-Q35 PolarHBondContact OG-O 3.19Å |
| 36 | P | 97.6 | Very high | 97.1 | Very high | 6 Ų | 6 | 80.7 Ų | 80.7 | 4% | 0.039 | 42% | 0.423 | C | S | . | . | trans | -58 | 145.6 | 179.2 | -22.1 | 33 | 0 | 0 | 0 | 111.2 | R24 L27 D32 S33 T38 V41 | R24-P36 PolarHBondContact NH1-O 3.35Å; L27-P36 HydrophobicContact CB-CB 4.39Å; L27-P36 HydrophobicContact CB-CG 3.94Å; L27-P36 HydrophobicContact CD1-CB 3.89Å; L27-P36 HydrophobicContact CD1-CG 4.24Å; D32-P36 HydrophobicContact CB-CG 4.47Å; S33-P36 VanDerWaalsContact O-CD 3.24Å; S33-P36 WeakPolarHBondContact O-CD 3.04Å; S33-P36 WeakPolarHBondContact O-CG 3.44Å; S33-P36 WeakPolarHBondContact OG-CA 3.32Å; P36-T38 PolarHBondContact O-N 3.32Å; P36-V41 HydrophobicContact CB-CG2 4.06Å | ||
| 37 | Y | 97.7 | Very high | 97.1 | Very high | 172 Ų | 172 | 80.4 Ų | 80.4 | 68% | 0.675 | 42% | 0.423 | S | S | * | . | trans | -55.3 | 138.4 | 175.4 | -65.4 | -62.3 | 0 | 0 | 0 | 110.6 | E39 T40 V41 | Y37-E39 PolarHBondContact O-N 3.41Å; Y37-T40 WeakPolarHBondContact O-CB 3.45Å; Y37-T40 PolarHBondContact O-N 3.4Å; Y37-T40 VanDerWaalsContact O-N 3.12Å; Y37-V41 WeakPolarHBondContact O-CG2 3.33Å; Y37-V41 PolarHBondContact O-N 2.93Å; Y37-V41 VanDerWaalsContact O-N 3.14Å | ||
| 38 | T | 96.3 | Very high | 97 | Very high | 70 Ų | 70 | 81.2 Ų | 81.2 | 43% | 0.429 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.8 | -36.5 | -178.3 | -62.8 | 0 | 0 | 0 | 0 | 110.7 | R24 P36 T40 V41 D42 | R24-T38 PolarHBondContact NH2-OG1 3.18Å; P36-T38 PolarHBondContact O-N 3.32Å; T38-T40 VanDerWaalsContact C-N 3.33Å; T38-T40 PolarHBondContact O-N 2.8Å; T38-V41 PolarHBondContact O-N 3.39Å; T38-D42 VanDerWaalsContact O-CB 3.27Å; T38-D42 WeakPolarHBondContact O-CB 3.49Å; T38-D42 PolarHBondContact O-N 2.97Å |
| 39 | E | 96.5 | Very high | 97 | Very high | 140 Ų | 140 | 77.7 Ų | 77.7 | 65% | 0.654 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -60.6 | -39.9 | 176 | -61 | 80 | 179.8 | 0 | 0 | 111.9 | Y37 L43 | Y37-E39 PolarHBondContact O-N 3.41Å; E39-L43 VanDerWaalsContact O-CB 3.23Å; E39-L43 WeakPolarHBondContact O-CB 3.27Å; E39-L43 PolarHBondContact O-N 3.41Å |
| 40 | T | 97.1 | Very high | 97 | Very high | 53 Ų | 53 | 78.8 Ų | 78.8 | 33% | 0.325 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66.9 | -43.7 | 175.7 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | L27 Y37 T38 L44 | L27-T40 HydrophobicContact CD1-CG2 4.13Å; L27-T40 HydrophobicContact CD2-CG2 4.35Å; Y37-T40 WeakPolarHBondContact O-CB 3.45Å; Y37-T40 PolarHBondContact O-N 3.4Å; Y37-T40 VanDerWaalsContact O-N 3.12Å; T38-T40 VanDerWaalsContact C-N 3.33Å; T38-T40 PolarHBondContact O-N 2.8Å; T40-L44 WeakPolarHBondContact O-CB 3.38Å; T40-L44 PolarHBondContact O-N 2.99Å |
| 41 | V | 97.7 | Very high | 97 | Very high | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.7 | -44.7 | 178.1 | 179.4 | 0 | 0 | 0 | 0 | 110.5 | T20 L23 R24 L27 P36 Y37 T38 L44 D45 | T20-V41 HydrophobicContact CG2-CG1 3.99Å; L23-V41 HydrophobicContact CB-CG1 4.15Å; R24-V41 HydrophobicContact CG-CB 4.47Å; R24-V41 HydrophobicContact CG-CG1 4.08Å; R24-V41 HydrophobicContact CG-CG2 3.55Å; L27-V41 HydrophobicContact CD1-CG2 3.76Å; P36-V41 HydrophobicContact CB-CG2 4.06Å; Y37-V41 WeakPolarHBondContact O-CG2 3.33Å; Y37-V41 PolarHBondContact O-N 2.93Å; Y37-V41 VanDerWaalsContact O-N 3.14Å; T38-V41 PolarHBondContact O-N 3.39Å; V41-L44 PolarHBondContact O-N 3.4Å; V41-D45 WeakPolarHBondContact O-CB 3.42Å; V41-D45 PolarHBondContact O-N 3.48Å |
| 42 | D | 96.4 | Very high | 96.9 | Very high | 41 Ų | 41 | 76.9 Ų | 76.9 | 22% | 0.219 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -64.6 | -43.6 | 179.8 | -88.4 | 24.8 | 0 | 0 | 0 | 112.1 | R17 T38 L44 D45 D46 | R17-D42 IonicContact CZ-OD2 3.09Å; R17-D42 VanDerWaalsContact NE-CG 3.33Å; R17-D42 IonicContact NE-OD1 2.69Å; R17-D42 IonicContact NE-OD2 3.83Å; R17-D42 PolarHBondContact NE-OD2 3Å; R17-D42 VanDerWaalsContact NE-OD2 3.09Å; R17-D42 IonicContact NH2-OD2 3.4Å; R17-D42 PolarHBondContact NH2-OD2 3.28Å; T38-D42 VanDerWaalsContact O-CB 3.27Å; T38-D42 WeakPolarHBondContact O-CB 3.49Å; T38-D42 PolarHBondContact O-N 2.97Å; D42-L44 VanDerWaalsContact C-N 3.33Å; D42-D45 PolarHBondContact O-N 3.42Å; D42-D46 PolarHBondContact O-N 3.34Å |
| 43 | L | 96.7 | Very high | 96.8 | Very high | 106 Ų | 106 | 80.2 Ų | 80.2 | 56% | 0.555 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -62.5 | -42.4 | 174.4 | 177.4 | 61.2 | 0 | 0 | 0 | 111.1 | E39 D46 I47 | E39-L43 VanDerWaalsContact O-CB 3.23Å; E39-L43 WeakPolarHBondContact O-CB 3.27Å; E39-L43 PolarHBondContact O-N 3.41Å; L43-D46 PolarHBondContact O-N 2.91Å; L43-I47 HydrophobicContact CD1-CD1 4.17Å; L43-I47 HydrophobicContact CD1-CG1 4.41Å; L43-I47 HydrophobicContact CG-CD1 3.96Å; L43-I47 VanDerWaalsContact O-CG1 3.29Å; L43-I47 WeakPolarHBondContact O-CG1 3.41Å; L43-I47 PolarHBondContact O-N 3.08Å |
| 44 | L | 97.7 | Very high | 96.9 | Very high | 47 Ų | 47 | 81.9 Ų | 81.9 | 25% | 0.246 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -67.2 | -37.8 | 178.7 | -172.4 | 60.2 | 0 | 0 | 0 | 111.8 | L23 L27 T40 V41 D42 I47 V48 | L23-L44 HydrophobicContact CB-CD2 4.44Å; L23-L44 HydrophobicContact CD1-CB 4.23Å; L23-L44 HydrophobicContact CD1-CD2 4.48Å; L23-L44 HydrophobicContact CD1-CG 4.13Å; L23-L44 HydrophobicContact CD2-CD2 3.79Å; L23-L44 HydrophobicContact CD2-CG 3.99Å; L23-L44 HydrophobicContact CG-CD2 4.45Å; L27-L44 HydrophobicContact CD1-CD2 4.29Å; L27-L44 HydrophobicContact CD2-CD2 3.85Å; L27-L44 HydrophobicContact CG-CD2 3.96Å; T40-L44 WeakPolarHBondContact O-CB 3.38Å; T40-L44 PolarHBondContact O-N 2.99Å; V41-L44 PolarHBondContact O-N 3.4Å; D42-L44 VanDerWaalsContact C-N 3.33Å; L44-I47 PolarHBondContact O-N 2.98Å; L44-V48 HydrophobicContact CD1-CG2 4.32Å; L44-V48 HydrophobicContact CG-CG2 4.41Å; L44-V48 WeakPolarHBondContact O-CB 3.45Å; L44-V48 VanDerWaalsContact O-CG2 3.25Å; L44-V48 WeakPolarHBondContact O-CG2 3.2Å; L44-V48 PolarHBondContact O-N 3.36Å |
| 45 | D | 97.1 | Very high | 96.9 | Very high | 2 Ų | 2 | 75.8 Ų | 75.8 | 1% | 0.011 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.2 | -49 | 172.5 | -167 | -75.2 | 0 | 0 | 0 | 110.2 | Y18 L19 L23 V41 D42 I47 V48 I49 | Y18-D45 PolarHBondContact N-OD2 3.11Å; Y18-D45 VanDerWaalsContact N-OD2 3.15Å; L19-D45 PolarHBondContact N-OD2 2.81Å; L23-D45 VanDerWaalsContact CD1-CA 3.5Å; L23-D45 HydrophobicContact CD1-CB 3.79Å; V41-D45 WeakPolarHBondContact O-CB 3.42Å; V41-D45 PolarHBondContact O-N 3.48Å; D42-D45 PolarHBondContact O-N 3.42Å; D45-I47 PolarHBondContact O-N 2.92Å; D45-V48 PolarHBondContact O-N 3.16Å; D45-I49 WeakPolarHBondContact O-CB 3.46Å; D45-I49 VanDerWaalsContact O-CG1 3.25Å; D45-I49 WeakPolarHBondContact O-CG1 3.42Å; D45-I49 PolarHBondContact O-N 3.46Å |
| 46 | D | 96.1 | Very high | 96.8 | Very high | 39 Ų | 39 | 70.4 Ų | 70.4 | 21% | 0.209 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.6 | -45.2 | 176.6 | -75.5 | -24.7 | 0 | 0 | 0 | 111.9 | R15 R17 D42 L43 Q50 | R15-D46 IonicContact CZ-OD1 3.78Å; R15-D46 IonicContact CZ-OD2 3.51Å; R15-D46 IonicContact NE-OD1 3.01Å; R15-D46 PolarHBondContact NE-OD1 3.17Å; R15-D46 IonicContact NE-OD2 3.46Å; R15-D46 PolarHBondContact NE-OD2 3.35Å; R15-D46 IonicContact NH2-OD1 3.76Å; R15-D46 IonicContact NH2-OD2 2.76Å; R15-D46 PolarHBondContact NH2-OD2 3.27Å; R17-D46 IonicContact CZ-OD1 3.53Å; R17-D46 IonicContact NH1-OD1 3.98Å; R17-D46 PolarHBondContact NH1-OD1 3.47Å; R17-D46 IonicContact NH1-OD2 2.91Å; R17-D46 IonicContact NH2-OD2 3.89Å; D42-D46 PolarHBondContact O-N 3.34Å; L43-D46 PolarHBondContact O-N 2.91Å; D46-Q50 VanDerWaalsContact O-CB 3.26Å; D46-Q50 WeakPolarHBondContact O-CB 3.43Å; D46-Q50 PolarHBondContact O-N 3.34Å |
| 47 | I | 97.7 | Very high | 96.7 | Very high | 93 Ų | 93 | 73.4 Ų | 73.4 | 48% | 0.477 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.1 | -44.6 | 178.6 | -69.2 | 166.2 | 0 | 0 | 0 | 111.3 | L43 L44 D45 Q50 F51 | L43-I47 HydrophobicContact CD1-CD1 4.17Å; L43-I47 HydrophobicContact CD1-CG1 4.41Å; L43-I47 HydrophobicContact CG-CD1 3.96Å; L43-I47 VanDerWaalsContact O-CG1 3.29Å; L43-I47 WeakPolarHBondContact O-CG1 3.41Å; L43-I47 PolarHBondContact O-N 3.08Å; L44-I47 PolarHBondContact O-N 2.98Å; D45-I47 PolarHBondContact O-N 2.92Å; I47-Q50 PolarHBondContact O-N 3.32Å; I47-F51 WeakPolarHBondContact O-CB 3.49Å; I47-F51 PolarHBondContact O-N 2.99Å |
| 48 | V | 97.2 | Very high | 96.5 | Very high | 40 Ų | 40 | 66.6 Ų | 66.6 | 24% | 0.242 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.3 | -44.8 | -178.4 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | L19 L23 L44 D45 Q50 F51 I52 | L19-V48 HydrophobicContact CD1-CB 4.31Å; L19-V48 HydrophobicContact CD1-CG1 3.55Å; L23-V48 HydrophobicContact CD2-CG2 4.44Å; L44-V48 HydrophobicContact CD1-CG2 4.32Å; L44-V48 HydrophobicContact CG-CG2 4.41Å; L44-V48 WeakPolarHBondContact O-CB 3.45Å; L44-V48 VanDerWaalsContact O-CG2 3.25Å; L44-V48 WeakPolarHBondContact O-CG2 3.2Å; L44-V48 PolarHBondContact O-N 3.36Å; D45-V48 PolarHBondContact O-N 3.16Å; V48-Q50 VanDerWaalsContact C-N 3.33Å; V48-Q50 PolarHBondContact O-N 3.43Å; V48-F51 WeakPolarHBondContact O-CB 3.43Å; V48-F51 PolarHBondContact O-N 3.49Å; V48-I52 HydrophobicContact CG1-CD1 3.93Å; V48-I52 WeakPolarHBondContact O-CG1 3.28Å; V48-I52 PolarHBondContact O-N 2.94Å |
| 49 | I | 96.5 | Very high | 96.5 | Very high | 63 Ų | 63 | 63.2 Ų | 63.2 | 32% | 0.323 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62 | -43.6 | 176.9 | -66.7 | -65.2 | 0 | 0 | 0 | 110.6 | Y18 D45 F51 I52 K53 | Y18-I49 HydrophobicContact CD2-CD1 3.82Å; Y18-I49 HydrophobicContact CD2-CG1 4.3Å; Y18-I49 HydrophobicContact CG-CD1 4.31Å; D45-I49 WeakPolarHBondContact O-CB 3.46Å; D45-I49 VanDerWaalsContact O-CG1 3.25Å; D45-I49 WeakPolarHBondContact O-CG1 3.42Å; D45-I49 PolarHBondContact O-N 3.46Å; I49-F51 VanDerWaalsContact C-N 3.34Å; I49-F51 PolarHBondContact O-N 3.12Å; I49-I52 PolarHBondContact O-N 3.03Å; I49-K53 WeakPolarHBondContact O-CB 3.23Å; I49-K53 PolarHBondContact O-N 3.01Å |
| 50 | Q | 97.2 | Very high | 96.3 | Very high | 91 Ų | 91 | 60.1 Ų | 60.1 | 43% | 0.425 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.7 | -39.9 | 176.7 | -172.3 | 61.8 | 57.3 | 0 | 0 | 112 | D46 I47 V48 K53 N54 | D46-Q50 VanDerWaalsContact O-CB 3.26Å; D46-Q50 WeakPolarHBondContact O-CB 3.43Å; D46-Q50 PolarHBondContact O-N 3.34Å; I47-Q50 PolarHBondContact O-N 3.32Å; V48-Q50 VanDerWaalsContact C-N 3.33Å; V48-Q50 PolarHBondContact O-N 3.43Å; Q50-K53 PolarHBondContact O-N 3.05Å; Q50-N54 PolarHBondContact NE2-OD1 3.33Å; Q50-N54 WeakPolarHBondContact O-CB 3.28Å; Q50-N54 VanDerWaalsContact O-CG 3.23Å; Q50-N54 PolarHBondContact O-N 3.4Å |
| 51 | F | 97.5 | Very high | 96 | Very high | 120 Ų | 120 | 64.9 Ų | 64.9 | 53% | 0.526 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.8 | -49.7 | 174.7 | 172.4 | -96.3 | 0 | 0 | 0 | 111.5 | I47 V48 I49 K53 N54 F55 | I47-F51 WeakPolarHBondContact O-CB 3.49Å; I47-F51 PolarHBondContact O-N 2.99Å; V48-F51 WeakPolarHBondContact O-CB 3.43Å; V48-F51 PolarHBondContact O-N 3.49Å; I49-F51 VanDerWaalsContact C-N 3.34Å; I49-F51 PolarHBondContact O-N 3.12Å; F51-K53 VanDerWaalsContact C-N 3.33Å; F51-K53 PolarHBondContact O-N 2.97Å; F51-N54 PolarHBondContact O-N 3.41Å; F51-F55 HydrophobicContact CE2-CD2 4.41Å; F51-F55 AromaticContact CZ-CD2 3.96Å; F51-F55 HydrophobicContact CZ-CD2 3.96Å; F51-F55 VanDerWaalsContact O-CB 3.24Å; F51-F55 WeakPolarHBondContact O-CB 3.42Å; F51-F55 PolarHBondContact O-N 3.08Å |
| 52 | I | 96.2 | Very high | 95.7 | Very high | 82 Ų | 82 | 68 Ų | 68 | 42% | 0.421 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.2 | -46.3 | 178.5 | -67.2 | 166.4 | 0 | 0 | 0 | 110.1 | V48 I49 F55 T56 | V48-I52 HydrophobicContact CG1-CD1 3.93Å; V48-I52 WeakPolarHBondContact O-CG1 3.28Å; V48-I52 PolarHBondContact O-N 2.94Å; I49-I52 PolarHBondContact O-N 3.03Å; I52-F55 PolarHBondContact O-N 3.14Å; I52-T56 HydrophobicContact CG2-CG2 4.32Å; I52-T56 VanDerWaalsContact O-CG2 3.32Å; I52-T56 WeakPolarHBondContact O-CG2 3.45Å; I52-T56 PolarHBondContact O-N 3.22Å; I52-T56 PolarHBondContact O-OG1 3.26Å; I52-T56 VanDerWaalsContact O-OG1 3.1Å |
| 53 | K | 96.1 | Very high | 95.2 | Very high | 124 Ų | 124 | 68 Ų | 68 | 54% | 0.539 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -57.3 | -53.8 | 177.2 | -177 | 179.7 | 177.4 | -178 | 0 | 111.4 | I49 Q50 F51 F55 T56 V57 | I49-K53 WeakPolarHBondContact O-CB 3.23Å; I49-K53 PolarHBondContact O-N 3.01Å; Q50-K53 PolarHBondContact O-N 3.05Å; F51-K53 VanDerWaalsContact C-N 3.33Å; F51-K53 PolarHBondContact O-N 2.97Å; K53-F55 VanDerWaalsContact C-N 3.28Å; K53-F55 PolarHBondContact O-N 2.98Å; K53-T56 PolarHBondContact O-N 2.96Å; K53-T56 PolarHBondContact O-OG1 3.27Å; K53-V57 WeakPolarHBondContact O-CG2 3.5Å; K53-V57 PolarHBondContact O-N 2.97Å |
| 54 | N | 97.2 | Very high | 94.5 | Very high | 91 Ų | 91 | 73 Ų | 73 | 49% | 0.487 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.8 | -40.3 | -179.6 | -70.2 | -7 | 0 | 0 | 0 | 111.8 | Q50 F51 V57 A58 | Q50-N54 PolarHBondContact NE2-OD1 3.33Å; Q50-N54 WeakPolarHBondContact O-CB 3.28Å; Q50-N54 VanDerWaalsContact O-CG 3.23Å; Q50-N54 PolarHBondContact O-N 3.4Å; F51-N54 PolarHBondContact O-N 3.41Å; N54-V57 PolarHBondContact O-N 3.42Å; N54-A58 WeakPolarHBondContact O-CB 3.46Å; N54-A58 PolarHBondContact O-N 3.29Å |
| 55 | F | 96.1 | Very high | 93.7 | Very high | 46 Ų | 46 | 75.6 Ų | 75.6 | 20% | 0.202 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.8 | -42.7 | 179.2 | -163.6 | -83.6 | 0 | 0 | 0 | 111.8 | F51 I52 K53 A58 A59 I73 L76 I77 | F51-F55 HydrophobicContact CE2-CD2 4.41Å; F51-F55 AromaticContact CZ-CD2 3.96Å; F51-F55 HydrophobicContact CZ-CD2 3.96Å; F51-F55 VanDerWaalsContact O-CB 3.24Å; F51-F55 WeakPolarHBondContact O-CB 3.42Å; F51-F55 PolarHBondContact O-N 3.08Å; I52-F55 PolarHBondContact O-N 3.14Å; K53-F55 VanDerWaalsContact C-N 3.28Å; K53-F55 PolarHBondContact O-N 2.98Å; F55-A58 PolarHBondContact O-N 3.32Å; F55-A59 WeakPolarHBondContact O-CB 3.33Å; F55-A59 PolarHBondContact O-N 3.07Å; F55-I73 HydrophobicContact CD1-CD1 4.14Å; F55-I73 HydrophobicContact CE1-CB 4.36Å; F55-I73 HydrophobicContact CE1-CD1 3.59Å; F55-I73 HydrophobicContact CE1-CG2 3.86Å; F55-I73 HydrophobicContact CZ-CG2 4.1Å; F55-L76 HydrophobicContact CD1-CD1 4.1Å; F55-L76 HydrophobicContact CD2-CD1 4.47Å; F55-L76 HydrophobicContact CE1-CB 4.41Å; F55-L76 HydrophobicContact CE1-CD1 3.66Å; F55-L76 HydrophobicContact CE2-CB 4.02Å; F55-L76 HydrophobicContact CE2-CD1 4.1Å; F55-L76 HydrophobicContact CG-CD1 4.47Å; F55-L76 HydrophobicContact CZ-CB 3.66Å; F55-L76 HydrophobicContact CZ-CD1 3.67Å; F55-L76 HydrophobicContact CZ-CG 4.35Å; F55-I77 HydrophobicContact CE2-CG2 3.91Å; F55-I77 HydrophobicContact CZ-CG2 3.69Å |
| 56 | T | 94.9 | Very high | 93.1 | Very high | 53 Ų | 53 | 77.8 Ų | 77.8 | 33% | 0.325 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -66.8 | -37.5 | 176.4 | 56.5 | 0 | 0 | 0 | 0 | 112.7 | I52 K53 A59 M60 I68 | I52-T56 HydrophobicContact CG2-CG2 4.32Å; I52-T56 VanDerWaalsContact O-CG2 3.32Å; I52-T56 WeakPolarHBondContact O-CG2 3.45Å; I52-T56 PolarHBondContact O-N 3.22Å; I52-T56 PolarHBondContact O-OG1 3.26Å; I52-T56 VanDerWaalsContact O-OG1 3.1Å; K53-T56 PolarHBondContact O-N 2.96Å; K53-T56 PolarHBondContact O-OG1 3.27Å; T56-A59 PolarHBondContact O-N 3.39Å; T56-M60 VanDerWaalsContact O-CG 3.28Å; T56-M60 WeakPolarHBondContact O-CG 3.32Å; T56-M60 PolarHBondContact O-N 2.95Å; T56-I68 HydrophobicContact CG2-CD1 3.97Å; T56-I68 WeakPolarHBondContact O-CD1 3.2Å |
| 57 | V | 94.5 | Very high | 92.8 | Very high | 69 Ų | 69 | 85.6 Ų | 85.6 | 42% | 0.418 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.8 | -48.8 | 173.3 | 172.2 | 0 | 0 | 0 | 0 | 110.6 | K53 N54 A59 M60 E61 | K53-V57 WeakPolarHBondContact O-CG2 3.5Å; K53-V57 PolarHBondContact O-N 2.97Å; N54-V57 PolarHBondContact O-N 3.42Å; V57-A59 PolarHBondContact O-N 2.9Å; V57-M60 WeakPolarHBondContact O-CB 3.4Å; V57-M60 PolarHBondContact O-N 3.31Å; V57-M60 VanDerWaalsContact O-N 3.08Å; V57-E61 WeakPolarHBondContact O-CG 3.29Å; V57-E61 PolarHBondContact O-N 3.13Å |
| 58 | A | 94.8 | Very high | 92.6 | Very high | 28 Ų | 28 | 84.3 Ų | 84.3 | 23% | 0.231 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -58.9 | -37 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | N54 F55 M60 E61 V62 L76 | N54-A58 WeakPolarHBondContact O-CB 3.46Å; N54-A58 PolarHBondContact O-N 3.29Å; F55-A58 PolarHBondContact O-N 3.32Å; A58-M60 VanDerWaalsContact C-N 3.35Å; A58-E61 PolarHBondContact O-N 3.25Å; A58-V62 WeakPolarHBondContact O-CG2 3.37Å; A58-V62 PolarHBondContact O-N 2.88Å; A58-L76 HydrophobicContact CB-CD1 4.01Å; A58-L76 HydrophobicContact CB-CD2 4.09Å |
| 59 | A | 94.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 87.5 Ų | 87.5 | 0% | 0 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -68 | -37.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | F55 T56 V57 R63 I68 D72 I73 L76 | F55-A59 WeakPolarHBondContact O-CB 3.33Å; F55-A59 PolarHBondContact O-N 3.07Å; T56-A59 PolarHBondContact O-N 3.39Å; V57-A59 PolarHBondContact O-N 2.9Å; A59-R63 WeakPolarHBondContact O-CB 3.33Å; A59-R63 PolarHBondContact O-N 2.88Å; A59-I68 HydrophobicContact CB-CD1 4.17Å; A59-I68 HydrophobicContact CB-CG1 4.31Å; A59-I68 HydrophobicContact CB-CG2 4.02Å; A59-D72 HydrophobicContact CB-CB 4.18Å; A59-I73 HydrophobicContact CB-CD1 4.46Å; A59-L76 HydrophobicContact CB-CD1 3.78Å |
| 60 | M | 93 | Very high | 92 | Very high | 74 Ų | 74 | 88.1 Ų | 88.1 | 37% | 0.365 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -67.6 | -36.2 | 175.1 | -74.1 | -70.1 | -63.1 | 0 | 0 | 112.6 | T56 V57 A58 R63 G66 I68 | T56-M60 VanDerWaalsContact O-CG 3.28Å; T56-M60 WeakPolarHBondContact O-CG 3.32Å; T56-M60 PolarHBondContact O-N 2.95Å; V57-M60 WeakPolarHBondContact O-CB 3.4Å; V57-M60 PolarHBondContact O-N 3.31Å; V57-M60 VanDerWaalsContact O-N 3.08Å; A58-M60 VanDerWaalsContact C-N 3.35Å; M60-R63 PolarHBondContact O-N 3.32Å; M60-G66 VanDerWaalsContact CE-O 3.31Å; M60-G66 WeakPolarHBondContact CE-O 3.49Å; M60-I68 HydrophobicContact CG-CD1 3.85Å; M60-I68 HydrophobicContact CG-CG1 3.74Å; M60-I68 HydrophobicContact SD-CD1 4.25Å; M60-I68 HydrophobicContact SD-CG1 3.56Å; M60-I68 VanDerWaalsContact SD-CG1 3.56Å |
| 61 | E | 91.9 | Very high | 91.7 | Very high | 154 Ų | 154 | 89.3 Ų | 89.3 | 72% | 0.72 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -66.6 | -36.4 | 177.6 | -72.7 | 174.3 | 170.1 | 0 | 0 | 112.9 | V57 A58 R63 | V57-E61 WeakPolarHBondContact O-CG 3.29Å; V57-E61 PolarHBondContact O-N 3.13Å; A58-E61 PolarHBondContact O-N 3.25Å; E61-R63 PolarHBondContact O-N 3.1Å |
| 62 | V | 89.5 | Confident | 91.5 | Very high | 66 Ų | 66 | 84.4 Ų | 84.4 | 40% | 0.4 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -68 | -26.7 | 174.9 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | A58 Y75 L76 | A58-V62 WeakPolarHBondContact O-CG2 3.37Å; A58-V62 PolarHBondContact O-N 2.88Å; V62-Y75 HydrophobicContact CB-CD1 4.31Å; V62-Y75 HydrophobicContact CB-CE1 4.46Å; V62-Y75 HydrophobicContact CG1-CD1 3.56Å; V62-Y75 HydrophobicContact CG1-CE1 3.79Å; V62-Y75 HydrophobicContact CG1-CG 4.18Å; V62-Y75 HydrophobicContact CG2-CD1 3.81Å; V62-Y75 HydrophobicContact CG2-CE1 3.73Å; V62-L76 HydrophobicContact CG2-CD2 4.1Å |
| 63 | R | 86.4 | Confident | 91.2 | Very high | 41 Ų | 41 | 82.5 Ų | 82.5 | 16% | 0.155 | 42% | 0.416 | C | S | . | . | trans | -99.6 | 138.8 | -169.9 | 179.5 | 147.2 | -178.4 | 162.9 | -2 | 113.8 | A59 M60 E61 T65 R67 Q69 D72 | A59-R63 WeakPolarHBondContact O-CB 3.33Å; A59-R63 PolarHBondContact O-N 2.88Å; M60-R63 PolarHBondContact O-N 3.32Å; E61-R63 PolarHBondContact O-N 3.1Å; R63-T65 PolarHBondContact NE-OG1 2.98Å; R63-T65 PolarHBondContact NH2-OG1 3.43Å; R63-T65 VanDerWaalsContact NH2-OG1 3.15Å; R63-R67 WeakPolarHBondContact CD-O 3.27Å; R63-R67 PolarHBondContact NE-O 3.26Å; R63-R67 PolarHBondContact NH1-O 3.34Å; R63-R67 VanDerWaalsContact NH1-O 3.11Å; R63-R67 PolarHBondContact NH2-O 2.98Å; R63-Q69 VanDerWaalsContact CZ-OE1 3.23Å; R63-Q69 VanDerWaalsContact NH1-N 3.19Å; R63-D72 WeakPolarHBondContact CD-OD1 3.24Å; R63-D72 WeakPolarHBondContact CD-OD2 3.46Å; R63-D72 IonicContact CZ-OD2 3.61Å; R63-D72 IonicContact NE-OD2 3.96Å; R63-D72 IonicContact NH1-OD1 2.79Å; R63-D72 IonicContact NH1-OD2 3.72Å; R63-D72 PolarHBondContact NH1-OD2 2.88Å | ||
| 64 | K | 81.5 | Confident | 91.1 | Very high | 209 Ų | 209 | 79.2 Ų | 79.2 | 91% | 0.909 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -84.1 | -27.4 | 176.4 | -60.5 | -177.1 | -179.2 | -179.5 | 0 | 114.9 | ||
| 65 | T | 82.2 | Confident | 90.9 | Very high | 103 Ų | 103 | 80.4 Ų | 80.4 | 63% | 0.632 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -103.4 | 16.6 | -164.5 | 55.4 | 0 | 0 | 0 | 0 | 115.5 | R63 R67 | R63-T65 PolarHBondContact NE-OG1 2.98Å; R63-T65 PolarHBondContact NH2-OG1 3.43Å; R63-T65 VanDerWaalsContact NH2-OG1 3.15Å; T65-R67 PolarHBondContact O-N 2.81Å |
| 66 | G | 84.1 | Confident | 90.9 | Very high | 48 Ų | 48 | 80.8 Ų | 80.8 | 50% | 0.495 | 40% | 0.402 | S | S | . | . | S | Bend | trans | 70.3 | -3.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | M60 | M60-G66 VanDerWaalsContact CE-O 3.31Å; M60-G66 WeakPolarHBondContact CE-O 3.49Å |
| 67 | R | 90.7 | Very high | 90.9 | Very high | 203 Ų | 203 | 78.8 Ų | 78.8 | 77% | 0.766 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -122.3 | 132.2 | 173.5 | -66.9 | -174.3 | 178.3 | -175.4 | -0.3 | 109.6 | R63 T65 | R63-R67 WeakPolarHBondContact CD-O 3.27Å; R63-R67 PolarHBondContact NE-O 3.26Å; R63-R67 PolarHBondContact NH1-O 3.34Å; R63-R67 VanDerWaalsContact NH1-O 3.11Å; R63-R67 PolarHBondContact NH2-O 2.98Å; T65-R67 PolarHBondContact O-N 2.81Å |
| 68 | I | 91.9 | Very high | 90.9 | Very high | 65 Ų | 65 | 81.3 Ų | 81.3 | 33% | 0.333 | 39% | 0.391 | S | S | . | . | trans | -74.8 | 135.2 | 179.3 | -55.3 | 173.2 | 0 | 0 | 0 | 110.3 | T56 A59 M60 D72 I73 | T56-I68 HydrophobicContact CG2-CD1 3.97Å; T56-I68 WeakPolarHBondContact O-CD1 3.2Å; A59-I68 HydrophobicContact CB-CD1 4.17Å; A59-I68 HydrophobicContact CB-CG1 4.31Å; A59-I68 HydrophobicContact CB-CG2 4.02Å; M60-I68 HydrophobicContact CG-CD1 3.85Å; M60-I68 HydrophobicContact CG-CG1 3.74Å; M60-I68 HydrophobicContact SD-CD1 4.25Å; M60-I68 HydrophobicContact SD-CG1 3.56Å; M60-I68 VanDerWaalsContact SD-CG1 3.56Å; I68-D72 HydrophobicContact CG2-CB 4.33Å; I68-I73 HydrophobicContact CG2-CD1 3.86Å; I68-I73 HydrophobicContact CG2-CG1 4.43Å | ||
| 69 | Q | 91.5 | Very high | 91 | Very high | 107 Ų | 107 | 89.7 Ų | 89.7 | 50% | 0.5 | 42% | 0.417 | S | S | . | . | trans | -121.1 | 174.2 | 167.1 | -67.1 | 168.1 | -36.8 | 0 | 0 | 110.9 | R63 E71 D72 | R63-Q69 VanDerWaalsContact CZ-OE1 3.23Å; R63-Q69 VanDerWaalsContact NH1-N 3.19Å; Q69-E71 VanDerWaalsContact C-N 3.26Å; Q69-E71 WeakPolarHBondContact CB-OE2 3.42Å; Q69-E71 PolarHBondContact O-N 2.69Å; Q69-D72 PolarHBondContact N-OD2 2.87Å; Q69-D72 WeakPolarHBondContact O-CB 3.31Å; Q69-D72 PolarHBondContact O-N 2.94Å | ||
| 70 | L | 90.2 | Very high | 91 | Very high | 76 Ų | 76 | 92 Ų | 92 | 40% | 0.398 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.8 | -34.4 | -175.7 | -164.1 | 75.3 | 0 | 0 | 0 | 112.2 | D72 I73 W74 L91 | L70-D72 VanDerWaalsContact C-N 3.25Å; L70-D72 PolarHBondContact O-N 3.44Å; L70-I73 WeakPolarHBondContact O-CB 3.37Å; L70-I73 PolarHBondContact O-N 2.93Å; L70-I73 VanDerWaalsContact O-N 3.16Å; L70-W74 HydrophobicContact CD2-CZ2 4.43Å; L70-W74 VanDerWaalsContact CG-NE1 3.3Å; L70-W74 PolarHBondContact O-N 2.88Å; L70-L91 HydrophobicContact CD1-CD1 3.84Å; L70-L91 HydrophobicContact CD1-CD2 4.15Å; L70-L91 HydrophobicContact CD2-CD1 4.02Å; L70-L91 HydrophobicContact CG-CD1 4.38Å |
| 71 | E | 90.9 | Very high | 91.2 | Very high | 117 Ų | 117 | 93 Ų | 93 | 55% | 0.547 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -60.5 | -34.8 | 178.2 | -61.5 | 71.6 | -153.2 | 0 | 0 | 112.2 | Q69 W74 Y75 | Q69-E71 VanDerWaalsContact C-N 3.26Å; Q69-E71 WeakPolarHBondContact CB-OE2 3.42Å; Q69-E71 PolarHBondContact O-N 2.69Å; E71-W74 PolarHBondContact O-N 2.93Å; E71-Y75 WeakPolarHBondContact O-CB 3.35Å; E71-Y75 PolarHBondContact O-N 3.42Å |
| 72 | D | 93 | Very high | 91.5 | Very high | 17 Ų | 17 | 94 Ų | 94 | 9% | 0.091 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -68.4 | -41.4 | 177.5 | -52.2 | -51.1 | 0 | 0 | 0 | 110.4 | A59 R63 I68 Q69 L70 Y75 L76 | A59-D72 HydrophobicContact CB-CB 4.18Å; R63-D72 WeakPolarHBondContact CD-OD1 3.24Å; R63-D72 WeakPolarHBondContact CD-OD2 3.46Å; R63-D72 IonicContact CZ-OD2 3.61Å; R63-D72 IonicContact NE-OD2 3.96Å; R63-D72 IonicContact NH1-OD1 2.79Å; R63-D72 IonicContact NH1-OD2 3.72Å; R63-D72 PolarHBondContact NH1-OD2 2.88Å; I68-D72 HydrophobicContact CG2-CB 4.33Å; Q69-D72 PolarHBondContact N-OD2 2.87Å; Q69-D72 WeakPolarHBondContact O-CB 3.31Å; Q69-D72 PolarHBondContact O-N 2.94Å; L70-D72 VanDerWaalsContact C-N 3.25Å; L70-D72 PolarHBondContact O-N 3.44Å; D72-Y75 PolarHBondContact O-N 3.35Å; D72-L76 WeakPolarHBondContact O-CG 3.48Å; D72-L76 PolarHBondContact O-N 3.47Å |
| 73 | I | 91.2 | Very high | 91.8 | Very high | 42 Ų | 42 | 96.3 Ų | 96.3 | 22% | 0.215 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -62.2 | -47.6 | 174.6 | -50.1 | -60.2 | 0 | 0 | 0 | 110 | F55 A59 I68 L70 Y75 L76 I77 | F55-I73 HydrophobicContact CD1-CD1 4.14Å; F55-I73 HydrophobicContact CE1-CB 4.36Å; F55-I73 HydrophobicContact CE1-CD1 3.59Å; F55-I73 HydrophobicContact CE1-CG2 3.86Å; F55-I73 HydrophobicContact CZ-CG2 4.1Å; A59-I73 HydrophobicContact CB-CD1 4.46Å; I68-I73 HydrophobicContact CG2-CD1 3.86Å; I68-I73 HydrophobicContact CG2-CG1 4.43Å; L70-I73 WeakPolarHBondContact O-CB 3.37Å; L70-I73 PolarHBondContact O-N 2.93Å; L70-I73 VanDerWaalsContact O-N 3.16Å; I73-Y75 VanDerWaalsContact C-N 3.3Å; I73-Y75 PolarHBondContact O-N 3.23Å; I73-L76 PolarHBondContact O-N 3.24Å; I73-I77 WeakPolarHBondContact O-CG1 3.49Å; I73-I77 PolarHBondContact O-N 3.32Å; I73-I77 VanDerWaalsContact O-N 3.14Å |
| 74 | W | 93.1 | Very high | 92.2 | Very high | 54 Ų | 54 | 97.9 Ų | 97.9 | 21% | 0.205 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -57.4 | -44.1 | 177.1 | -72.2 | 126 | 0 | 0 | 0 | 111.9 | L70 E71 L76 I77 R78 F84 V87 K88 L91 | L70-W74 HydrophobicContact CD2-CZ2 4.43Å; L70-W74 VanDerWaalsContact CG-NE1 3.3Å; L70-W74 PolarHBondContact O-N 2.88Å; E71-W74 PolarHBondContact O-N 2.93Å; W74-L76 VanDerWaalsContact C-N 3.32Å; W74-L76 PolarHBondContact O-N 2.85Å; W74-I77 HydrophobicContact CE3-CD1 3.79Å; W74-I77 HydrophobicContact CE3-CG1 4.22Å; W74-I77 HydrophobicContact CZ3-CD1 4Å; W74-I77 PolarHBondContact O-N 3.15Å; W74-R78 WeakPolarHBondContact O-CB 3.42Å; W74-R78 PolarHBondContact O-N 2.81Å; W74-F84 HydrophobicContact CD2-CE2 4.22Å; W74-F84 AromaticContact CE3-CD2 3.56Å; W74-F84 HydrophobicContact CE3-CD2 3.56Å; W74-F84 AromaticContact CE3-CE2 3.28Å; W74-F84 HydrophobicContact CE3-CE2 3.28Å; W74-F84 HydrophobicContact CE3-CG 4.44Å; W74-F84 AromaticContact CE3-CZ 3.98Å; W74-F84 HydrophobicContact CE3-CZ 3.98Å; W74-F84 HydrophobicContact CZ3-CD1 4.48Å; W74-F84 AromaticContact CZ3-CD2 3.72Å; W74-F84 HydrophobicContact CZ3-CD2 3.72Å; W74-F84 HydrophobicContact CZ3-CE1 4.37Å; W74-F84 AromaticContact CZ3-CE2 3.6Å; W74-F84 HydrophobicContact CZ3-CE2 3.6Å; W74-F84 HydrophobicContact CZ3-CG 4.16Å; W74-F84 AromaticContact CZ3-CZ 3.94Å; W74-F84 HydrophobicContact CZ3-CZ 3.94Å; W74-V87 HydrophobicContact CE3-CG1 4.46Å; W74-V87 HydrophobicContact CH2-CB 4.16Å; W74-V87 HydrophobicContact CH2-CG1 3.65Å; W74-V87 HydrophobicContact CZ2-CG1 4.16Å; W74-V87 HydrophobicContact CZ3-CB 4.07Å; W74-V87 HydrophobicContact CZ3-CG1 3.82Å; W74-K88 HydrophobicContact CH2-CB 3.84Å; W74-K88 HydrophobicContact CZ3-CB 4.44Å; W74-L91 HydrophobicContact CH2-CD1 3.93Å; W74-L91 HydrophobicContact CZ2-CD1 3.38Å |
| 75 | Y | 94 | Very high | 92.9 | Very high | 116 Ų | 116 | 91.4 Ų | 91.4 | 46% | 0.455 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -59.9 | -41.6 | 178.8 | 178.9 | -95.4 | 0 | 0 | 0 | 112.3 | V62 E71 D72 I73 R78 | V62-Y75 HydrophobicContact CB-CD1 4.31Å; V62-Y75 HydrophobicContact CB-CE1 4.46Å; V62-Y75 HydrophobicContact CG1-CD1 3.56Å; V62-Y75 HydrophobicContact CG1-CE1 3.79Å; V62-Y75 HydrophobicContact CG1-CG 4.18Å; V62-Y75 HydrophobicContact CG2-CD1 3.81Å; V62-Y75 HydrophobicContact CG2-CE1 3.73Å; E71-Y75 WeakPolarHBondContact O-CB 3.35Å; E71-Y75 PolarHBondContact O-N 3.42Å; D72-Y75 PolarHBondContact O-N 3.35Å; I73-Y75 VanDerWaalsContact C-N 3.3Å; I73-Y75 PolarHBondContact O-N 3.23Å; Y75-R78 WeakPolarHBondContact O-CD 3.2Å; Y75-R78 VanDerWaalsContact O-CG 3.23Å; Y75-R78 WeakPolarHBondContact O-CG 3.16Å; Y75-R78 PolarHBondContact O-NE 3.32Å |
| 76 | L | 95 | Very high | 93.5 | Very high | 54 Ų | 54 | 93.3 Ų | 93.3 | 28% | 0.283 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -69.1 | -37.1 | 179.2 | -69.4 | 177.7 | 0 | 0 | 0 | 113 | F55 A58 A59 V62 D72 I73 W74 | F55-L76 HydrophobicContact CD1-CD1 4.1Å; F55-L76 HydrophobicContact CD2-CD1 4.47Å; F55-L76 HydrophobicContact CE1-CB 4.41Å; F55-L76 HydrophobicContact CE1-CD1 3.66Å; F55-L76 HydrophobicContact CE2-CB 4.02Å; F55-L76 HydrophobicContact CE2-CD1 4.1Å; F55-L76 HydrophobicContact CG-CD1 4.47Å; F55-L76 HydrophobicContact CZ-CB 3.66Å; F55-L76 HydrophobicContact CZ-CD1 3.67Å; F55-L76 HydrophobicContact CZ-CG 4.35Å; A58-L76 HydrophobicContact CB-CD1 4.01Å; A58-L76 HydrophobicContact CB-CD2 4.09Å; A59-L76 HydrophobicContact CB-CD1 3.78Å; V62-L76 HydrophobicContact CG2-CD2 4.1Å; D72-L76 WeakPolarHBondContact O-CG 3.48Å; D72-L76 PolarHBondContact O-N 3.47Å; I73-L76 PolarHBondContact O-N 3.24Å; W74-L76 VanDerWaalsContact C-N 3.32Å; W74-L76 PolarHBondContact O-N 2.85Å |
| 77 | I | 95.4 | Very high | 94 | Very high | 12 Ų | 12 | 92.9 Ų | 92.9 | 6% | 0.062 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -92.2 | -7.1 | -176.3 | 70.2 | -177.4 | 0 | 0 | 0 | 114.4 | F55 I73 W74 R79 D80 F84 V87 | F55-I77 HydrophobicContact CE2-CG2 3.91Å; F55-I77 HydrophobicContact CZ-CG2 3.69Å; I73-I77 WeakPolarHBondContact O-CG1 3.49Å; I73-I77 PolarHBondContact O-N 3.32Å; I73-I77 VanDerWaalsContact O-N 3.14Å; W74-I77 HydrophobicContact CE3-CD1 3.79Å; W74-I77 HydrophobicContact CE3-CG1 4.22Å; W74-I77 HydrophobicContact CZ3-CD1 4Å; W74-I77 PolarHBondContact O-N 3.15Å; I77-R79 PolarHBondContact O-N 3.47Å; I77-D80 PolarHBondContact O-N 3.19Å; I77-F84 HydrophobicContact CG1-CD2 4.16Å; I77-V87 HydrophobicContact CD1-CB 3.82Å; I77-V87 HydrophobicContact CD1-CG1 4.06Å; I77-V87 HydrophobicContact CD1-CG2 3.7Å |
| 78 | R | 94.4 | Very high | 94.2 | Very high | 121 Ų | 121 | 88.9 Ų | 88.9 | 46% | 0.457 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -23.5 | -173 | 71.9 | -168.9 | 170.1 | 84.2 | -9.1 | 115.8 | W74 Y75 | W74-R78 WeakPolarHBondContact O-CB 3.42Å; W74-R78 PolarHBondContact O-N 2.81Å; Y75-R78 WeakPolarHBondContact O-CD 3.2Å; Y75-R78 VanDerWaalsContact O-CG 3.23Å; Y75-R78 WeakPolarHBondContact O-CG 3.16Å; Y75-R78 PolarHBondContact O-NE 3.32Å |
| 79 | R | 95.5 | Very high | 94.4 | Very high | 205 Ų | 205 | 89.7 Ų | 89.7 | 77% | 0.774 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -8 | 179.3 | -65.6 | -171.6 | 175.7 | -164.3 | -2 | 113.1 | I77 P81 | I77-R79 PolarHBondContact O-N 3.47Å; R79-P81 WeakPolarHBondContact O-CD 3.3Å |
| 80 | D | 96.7 | Very high | 94.6 | Very high | 47 Ų | 47 | 88.3 Ų | 88.3 | 25% | 0.251 | 41% | 0.406 | S | S | . | . | trans | -109.2 | 95.1 | 176.4 | -173 | -33.6 | 0 | 0 | 0 | 109.2 | I77 K82 K83 F84 | I77-D80 PolarHBondContact O-N 3.19Å; D80-K82 PolarHBondContact O-N 2.93Å; D80-K82 PolarHBondContact OD1-N 3.03Å; D80-K82 VanDerWaalsContact OD1-N 3.13Å; D80-K83 HydrophobicContact CB-CB 4.05Å; D80-K83 HydrophobicContact CB-CD 4.26Å; D80-K83 HydrophobicContact CB-CG 4.29Å; D80-K83 VanDerWaalsContact CG-CG 3.5Å; D80-K83 PolarHBondContact O-N 3.34Å; D80-K83 PolarHBondContact OD1-N 3.27Å; D80-K83 WeakPolarHBondContact OD2-CD 3.28Å; D80-K83 VanDerWaalsContact OD2-CE 3.27Å; D80-K83 WeakPolarHBondContact OD2-CE 3.25Å; D80-K83 VanDerWaalsContact OD2-CG 3.31Å; D80-K83 WeakPolarHBondContact OD2-CG 3.23Å; D80-K83 IonicContact OD2-NZ 2.72Å; D80-K83 PolarHBondContact OD2-NZ 3.16Å; D80-F84 VanDerWaalsContact O-CB 3.28Å; D80-F84 WeakPolarHBondContact O-CB 3.45Å; D80-F84 PolarHBondContact O-N 3.37Å | ||
| 81 | P | 96.5 | Very high | 94.8 | Very high | 95 Ų | 95 | 87.6 Ų | 87.6 | 62% | 0.617 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -63.1 | -29.7 | -175.5 | 24.3 | -33.7 | 0 | 0 | 0 | 112.6 | R79 T85 | R79-P81 WeakPolarHBondContact O-CD 3.3Å; P81-T85 WeakPolarHBondContact O-CB 3.49Å; P81-T85 PolarHBondContact O-N 3.44Å; P81-T85 PolarHBondContact O-OG1 2.78Å |
| 82 | K | 97.3 | Very high | 95.1 | Very high | 175 Ų | 175 | 85.2 Ų | 85.2 | 76% | 0.761 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -70.2 | -47.7 | 179.2 | -67 | -176.7 | 179.1 | -179.7 | 0 | 110.6 | D80 R86 | D80-K82 PolarHBondContact O-N 2.93Å; D80-K82 PolarHBondContact OD1-N 3.03Å; D80-K82 VanDerWaalsContact OD1-N 3.13Å; K82-R86 WeakPolarHBondContact O-CB 3.26Å; K82-R86 PolarHBondContact O-N 3.01Å; K82-R86 VanDerWaalsContact O-N 3.07Å |
| 83 | K | 95.3 | Very high | 95.3 | Very high | 115 Ų | 115 | 89.3 Ų | 89.3 | 50% | 0.5 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.5 | -42.5 | 175.8 | -69.5 | -176.3 | -172.4 | 114.8 | 0 | 111.5 | D80 R86 V87 | D80-K83 HydrophobicContact CB-CB 4.05Å; D80-K83 HydrophobicContact CB-CD 4.26Å; D80-K83 HydrophobicContact CB-CG 4.29Å; D80-K83 VanDerWaalsContact CG-CG 3.5Å; D80-K83 PolarHBondContact O-N 3.34Å; D80-K83 PolarHBondContact OD1-N 3.27Å; D80-K83 WeakPolarHBondContact OD2-CD 3.28Å; D80-K83 VanDerWaalsContact OD2-CE 3.27Å; D80-K83 WeakPolarHBondContact OD2-CE 3.25Å; D80-K83 VanDerWaalsContact OD2-CG 3.31Å; D80-K83 WeakPolarHBondContact OD2-CG 3.23Å; D80-K83 IonicContact OD2-NZ 2.72Å; D80-K83 PolarHBondContact OD2-NZ 3.16Å; K83-R86 PolarHBondContact O-N 3.4Å; K83-V87 WeakPolarHBondContact O-CG2 3.27Å; K83-V87 PolarHBondContact O-N 2.82Å |
| 84 | F | 94.9 | Very high | 95.5 | Very high | 74 Ų | 74 | 92.3 Ų | 92.3 | 33% | 0.325 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -57.9 | -53.1 | 179.5 | -175.7 | -87 | 0 | 0 | 0 | 111.7 | W74 I77 D80 R86 V87 K88 | W74-F84 HydrophobicContact CD2-CE2 4.22Å; W74-F84 AromaticContact CE3-CD2 3.56Å; W74-F84 HydrophobicContact CE3-CD2 3.56Å; W74-F84 AromaticContact CE3-CE2 3.28Å; W74-F84 HydrophobicContact CE3-CE2 3.28Å; W74-F84 HydrophobicContact CE3-CG 4.44Å; W74-F84 AromaticContact CE3-CZ 3.98Å; W74-F84 HydrophobicContact CE3-CZ 3.98Å; W74-F84 HydrophobicContact CZ3-CD1 4.48Å; W74-F84 AromaticContact CZ3-CD2 3.72Å; W74-F84 HydrophobicContact CZ3-CD2 3.72Å; W74-F84 HydrophobicContact CZ3-CE1 4.37Å; W74-F84 AromaticContact CZ3-CE2 3.6Å; W74-F84 HydrophobicContact CZ3-CE2 3.6Å; W74-F84 HydrophobicContact CZ3-CG 4.16Å; W74-F84 AromaticContact CZ3-CZ 3.94Å; W74-F84 HydrophobicContact CZ3-CZ 3.94Å; I77-F84 HydrophobicContact CG1-CD2 4.16Å; D80-F84 VanDerWaalsContact O-CB 3.28Å; D80-F84 WeakPolarHBondContact O-CB 3.45Å; D80-F84 PolarHBondContact O-N 3.37Å; F84-R86 VanDerWaalsContact C-N 3.33Å; F84-R86 PolarHBondContact O-N 2.88Å; F84-V87 PolarHBondContact O-N 2.96Å; F84-K88 PolarHBondContact O-N 3.31Å |
| 85 | T | 96.2 | Very high | 95.7 | Very high | 73 Ų | 73 | 93.1 Ų | 93.1 | 45% | 0.448 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -59.8 | -45.3 | 177.3 | -60.4 | 0 | 0 | 0 | 0 | 110.9 | P81 V87 K88 D89 | P81-T85 WeakPolarHBondContact O-CB 3.49Å; P81-T85 PolarHBondContact O-N 3.44Å; P81-T85 PolarHBondContact O-OG1 2.78Å; T85-V87 VanDerWaalsContact C-N 3.34Å; T85-V87 PolarHBondContact O-N 3.47Å; T85-K88 WeakPolarHBondContact O-CB 3.29Å; T85-K88 PolarHBondContact O-N 2.88Å; T85-K88 VanDerWaalsContact O-N 3.12Å; T85-D89 VanDerWaalsContact O-CG 3.24Å; T85-D89 PolarHBondContact O-N 3.36Å |
| 86 | R | 96.4 | Very high | 95.8 | Very high | 144 Ų | 144 | 93.3 Ų | 93.3 | 54% | 0.543 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -58.9 | -44 | 179.3 | -179.2 | 55.2 | 176.6 | 158.1 | -2.1 | 112.9 | K82 K83 F84 K88 D89 L90 | K82-R86 WeakPolarHBondContact O-CB 3.26Å; K82-R86 PolarHBondContact O-N 3.01Å; K82-R86 VanDerWaalsContact O-N 3.07Å; K83-R86 PolarHBondContact O-N 3.4Å; F84-R86 VanDerWaalsContact C-N 3.33Å; F84-R86 PolarHBondContact O-N 2.88Å; R86-K88 VanDerWaalsContact C-N 3.34Å; R86-D89 PolarHBondContact O-N 2.91Å; R86-L90 HydrophobicContact CG-CD1 4.16Å; R86-L90 WeakPolarHBondContact O-CB 3.34Å; R86-L90 VanDerWaalsContact O-CG 3.29Å; R86-L90 WeakPolarHBondContact O-CG 3.25Å; R86-L90 PolarHBondContact O-N 2.96Å; R86-L90 VanDerWaalsContact O-N 3.08Å |
| 87 | V | 94.6 | Very high | 95.9 | Very high | 39 Ų | 39 | 94.9 Ų | 94.9 | 24% | 0.236 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 177.8 | 170.9 | 0 | 0 | 0 | 0 | 110.5 | W74 I77 K83 F84 T85 D89 L90 L91 | W74-V87 HydrophobicContact CE3-CG1 4.46Å; W74-V87 HydrophobicContact CH2-CB 4.16Å; W74-V87 HydrophobicContact CH2-CG1 3.65Å; W74-V87 HydrophobicContact CZ2-CG1 4.16Å; W74-V87 HydrophobicContact CZ3-CB 4.07Å; W74-V87 HydrophobicContact CZ3-CG1 3.82Å; I77-V87 HydrophobicContact CD1-CB 3.82Å; I77-V87 HydrophobicContact CD1-CG1 4.06Å; I77-V87 HydrophobicContact CD1-CG2 3.7Å; K83-V87 WeakPolarHBondContact O-CG2 3.27Å; K83-V87 PolarHBondContact O-N 2.82Å; F84-V87 PolarHBondContact O-N 2.96Å; T85-V87 VanDerWaalsContact C-N 3.34Å; T85-V87 PolarHBondContact O-N 3.47Å; V87-D89 PolarHBondContact O-N 3.33Å; V87-L90 PolarHBondContact O-N 3.41Å; V87-L91 HydrophobicContact CG1-CD1 3.66Å; V87-L91 HydrophobicContact CG1-CG 4.32Å; V87-L91 VanDerWaalsContact O-CG 3.27Å; V87-L91 WeakPolarHBondContact O-CG 3.29Å; V87-L91 PolarHBondContact O-N 3.01Å |
| 88 | K | 93.8 | Very high | 95.9 | Very high | 118 Ų | 118 | 100.6 Ų | 100.6 | 51% | 0.513 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.3 | -46.4 | 176.7 | -173 | -178 | 175.5 | -175.1 | 0 | 112.2 | W74 F84 T85 R86 L91 T92 | W74-K88 HydrophobicContact CH2-CB 3.84Å; W74-K88 HydrophobicContact CZ3-CB 4.44Å; F84-K88 PolarHBondContact O-N 3.31Å; T85-K88 WeakPolarHBondContact O-CB 3.29Å; T85-K88 PolarHBondContact O-N 2.88Å; T85-K88 VanDerWaalsContact O-N 3.12Å; R86-K88 VanDerWaalsContact C-N 3.34Å; K88-L91 PolarHBondContact O-N 3.02Å; K88-T92 WeakPolarHBondContact O-CB 3.38Å; K88-T92 PolarHBondContact O-N 3.05Å; K88-T92 PolarHBondContact O-OG1 2.93Å |
| 89 | D | 96.6 | Very high | 96 | Very high | 82 Ų | 82 | 100.9 Ų | 100.9 | 44% | 0.439 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 179.2 | -61.9 | -20 | 0 | 0 | 0 | 111 | T85 R86 V87 L91 T92 M93 | T85-D89 VanDerWaalsContact O-CG 3.24Å; T85-D89 PolarHBondContact O-N 3.36Å; R86-D89 PolarHBondContact O-N 2.91Å; V87-D89 PolarHBondContact O-N 3.33Å; D89-L91 PolarHBondContact O-N 3.31Å; D89-T92 PolarHBondContact O-N 2.89Å; D89-M93 WeakPolarHBondContact O-CB 3.22Å; D89-M93 PolarHBondContact O-N 3.17Å |
| 90 | L | 96.4 | Very high | 96 | Very high | 79 Ų | 79 | 94 Ų | 94 | 41% | 0.414 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.8 | -42.3 | 178.9 | -74.3 | 173 | 0 | 0 | 0 | 112.7 | R86 V87 N94 | R86-L90 HydrophobicContact CG-CD1 4.16Å; R86-L90 WeakPolarHBondContact O-CB 3.34Å; R86-L90 VanDerWaalsContact O-CG 3.29Å; R86-L90 WeakPolarHBondContact O-CG 3.25Å; R86-L90 PolarHBondContact O-N 2.96Å; R86-L90 VanDerWaalsContact O-N 3.08Å; V87-L90 PolarHBondContact O-N 3.41Å; L90-N94 VanDerWaalsContact O-CB 3.32Å; L90-N94 WeakPolarHBondContact O-CB 3.48Å; L90-N94 PolarHBondContact O-N 3.08Å |
| 91 | L | 94.5 | Very high | 95.9 | Very high | 61 Ų | 61 | 100.1 Ų | 100.1 | 32% | 0.319 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69.7 | -39.9 | 178.6 | -68.6 | 166.2 | 0 | 0 | 0 | 112 | L70 W74 V87 K88 D89 N94 E95 | L70-L91 HydrophobicContact CD1-CD1 3.84Å; L70-L91 HydrophobicContact CD1-CD2 4.15Å; L70-L91 HydrophobicContact CD2-CD1 4.02Å; L70-L91 HydrophobicContact CG-CD1 4.38Å; W74-L91 HydrophobicContact CH2-CD1 3.93Å; W74-L91 HydrophobicContact CZ2-CD1 3.38Å; V87-L91 HydrophobicContact CG1-CD1 3.66Å; V87-L91 HydrophobicContact CG1-CG 4.32Å; V87-L91 VanDerWaalsContact O-CG 3.27Å; V87-L91 WeakPolarHBondContact O-CG 3.29Å; V87-L91 PolarHBondContact O-N 3.01Å; K88-L91 PolarHBondContact O-N 3.02Å; D89-L91 PolarHBondContact O-N 3.31Å; L91-N94 PolarHBondContact O-N 3.09Å; L91-E95 WeakPolarHBondContact O-CB 3.23Å; L91-E95 PolarHBondContact O-N 3.1Å |
| 92 | T | 96.2 | Very high | 95.8 | Very high | 66 Ų | 66 | 101.1 Ų | 101.1 | 41% | 0.405 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.8 | -50.2 | 176.5 | -55.6 | 0 | 0 | 0 | 0 | 110.2 | K88 D89 N94 E95 E96 | K88-T92 WeakPolarHBondContact O-CB 3.38Å; K88-T92 PolarHBondContact O-N 3.05Å; K88-T92 PolarHBondContact O-OG1 2.93Å; D89-T92 PolarHBondContact O-N 2.89Å; T92-N94 VanDerWaalsContact C-N 3.33Å; T92-N94 PolarHBondContact O-N 3.38Å; T92-E95 PolarHBondContact O-N 2.59Å; T92-E96 WeakPolarHBondContact O-CG 3.23Å; T92-E96 PolarHBondContact O-N 3.29Å |
| 93 | M | 97.6 | Very high | 95.5 | Very high | 104 Ų | 104 | 95.5 Ų | 95.5 | 51% | 0.512 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -60.4 | -41.7 | 177.7 | -177.9 | -177.3 | -68.4 | 0 | 0 | 112 | D89 E95 E96 L97 | D89-M93 WeakPolarHBondContact O-CB 3.22Å; D89-M93 PolarHBondContact O-N 3.17Å; M93-E95 VanDerWaalsContact C-N 3.33Å; M93-E95 PolarHBondContact O-N 2.83Å; M93-E96 PolarHBondContact O-N 2.91Å; M93-L97 HydrophobicContact CG-CD1 4.17Å; M93-L97 WeakPolarHBondContact O-CB 3.44Å; M93-L97 VanDerWaalsContact O-CG 3.29Å; M93-L97 WeakPolarHBondContact O-CG 3.24Å; M93-L97 PolarHBondContact O-N 2.72Å |
| 94 | N | 96.2 | Very high | 95.3 | Very high | 105 Ų | 105 | 96 Ų | 96 | 56% | 0.561 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -62.1 | -41.9 | 177.4 | -171 | 17.9 | 0 | 0 | 0 | 111.7 | L90 L91 T92 L97 R98 | L90-N94 VanDerWaalsContact O-CB 3.32Å; L90-N94 WeakPolarHBondContact O-CB 3.48Å; L90-N94 PolarHBondContact O-N 3.08Å; L91-N94 PolarHBondContact O-N 3.09Å; T92-N94 VanDerWaalsContact C-N 3.33Å; T92-N94 PolarHBondContact O-N 3.38Å; N94-L97 PolarHBondContact O-N 2.76Å; N94-R98 WeakPolarHBondContact O-CB 3.36Å; N94-R98 PolarHBondContact O-N 3.46Å |
| 95 | E | 96.2 | Very high | 95.1 | Very high | 71 Ų | 71 | 97.2 Ų | 97.2 | 33% | 0.332 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.6 | -39.4 | 177.3 | -179 | 57.6 | -161.6 | 0 | 0 | 112.3 | L91 T92 M93 R98 K99 | L91-E95 WeakPolarHBondContact O-CB 3.23Å; L91-E95 PolarHBondContact O-N 3.1Å; T92-E95 PolarHBondContact O-N 2.59Å; M93-E95 VanDerWaalsContact C-N 3.33Å; M93-E95 PolarHBondContact O-N 2.83Å; E95-R98 PolarHBondContact O-N 3.01Å; E95-R98 IonicContact OE1-CZ 3.46Å; E95-R98 IonicContact OE1-NE 2.81Å; E95-R98 IonicContact OE1-NH2 3.27Å; E95-R98 PolarHBondContact OE1-NH2 2.99Å; E95-R98 IonicContact OE2-CZ 2.67Å; E95-R98 IonicContact OE2-NE 3.53Å; E95-R98 PolarHBondContact OE2-NE 3.14Å; E95-R98 IonicContact OE2-NH2 3.73Å; E95-R98 PolarHBondContact OE2-NH2 2.91Å; E95-K99 WeakPolarHBondContact O-CG 3.34Å; E95-K99 PolarHBondContact O-N 2.97Å; E95-K99 WeakPolarHBondContact OE1-CE 3.46Å |
| 96 | E | 96.9 | Very high | 94.6 | Very high | 119 Ų | 119 | 99.4 Ų | 99.4 | 56% | 0.556 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -61.6 | -47.4 | 173.3 | -72.5 | 173.1 | 175.5 | 0 | 0 | 111.7 | T92 M93 R98 K99 A100 | T92-E96 WeakPolarHBondContact O-CG 3.23Å; T92-E96 PolarHBondContact O-N 3.29Å; M93-E96 PolarHBondContact O-N 2.91Å; E96-R98 VanDerWaalsContact C-N 3.3Å; E96-R98 PolarHBondContact O-N 3.25Å; E96-K99 PolarHBondContact O-N 2.56Å; E96-A100 WeakPolarHBondContact O-CB 3.23Å; E96-A100 PolarHBondContact O-N 2.98Å |
| 97 | L | 96.6 | Very high | 93.8 | Very high | 88 Ų | 88 | 96.2 Ų | 96.2 | 46% | 0.461 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.9 | -39.4 | 176 | -72 | 171.6 | 0 | 0 | 0 | 111.8 | M93 N94 A100 R101 | M93-L97 HydrophobicContact CG-CD1 4.17Å; M93-L97 WeakPolarHBondContact O-CB 3.44Å; M93-L97 VanDerWaalsContact O-CG 3.29Å; M93-L97 WeakPolarHBondContact O-CG 3.24Å; M93-L97 PolarHBondContact O-N 2.72Å; N94-L97 PolarHBondContact O-N 2.76Å; L97-A100 PolarHBondContact O-N 2.84Å; L97-R101 WeakPolarHBondContact O-CB 3.35Å; L97-R101 VanDerWaalsContact O-CG 3.27Å; L97-R101 WeakPolarHBondContact O-CG 3.42Å; L97-R101 PolarHBondContact O-N 3.32Å |
| 98 | R | 96.2 | Very high | 92.8 | Very high | 132 Ų | 132 | 100.8 Ų | 100.8 | 50% | 0.498 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.9 | -45.2 | 177.1 | -169.4 | -173.8 | 71.7 | 82 | -0.7 | 111.6 | N94 E95 E96 K102 | N94-R98 WeakPolarHBondContact O-CB 3.36Å; N94-R98 PolarHBondContact O-N 3.46Å; E95-R98 PolarHBondContact O-N 3.01Å; E95-R98 IonicContact OE1-CZ 3.46Å; E95-R98 IonicContact OE1-NE 2.81Å; E95-R98 IonicContact OE1-NH2 3.27Å; E95-R98 PolarHBondContact OE1-NH2 2.99Å; E95-R98 IonicContact OE2-CZ 2.67Å; E95-R98 IonicContact OE2-NE 3.53Å; E95-R98 PolarHBondContact OE2-NE 3.14Å; E95-R98 IonicContact OE2-NH2 3.73Å; E95-R98 PolarHBondContact OE2-NH2 2.91Å; E96-R98 VanDerWaalsContact C-N 3.3Å; E96-R98 PolarHBondContact O-N 3.25Å; R98-K102 PolarHBondContact O-N 3.23Å; R98-K102 VanDerWaalsContact O-N 3.11Å |
| 99 | K | 95.9 | Very high | 91 | Very high | 126 Ų | 126 | 108 Ų | 108 | 55% | 0.548 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.3 | -45.1 | 175.9 | -73 | 175.8 | -177.7 | 174.7 | 0 | 111.8 | E95 E96 R101 K102 A103 | E95-K99 WeakPolarHBondContact O-CG 3.34Å; E95-K99 PolarHBondContact O-N 2.97Å; E95-K99 WeakPolarHBondContact OE1-CE 3.46Å; E96-K99 PolarHBondContact O-N 2.56Å; K99-R101 PolarHBondContact O-N 3.43Å; K99-K102 PolarHBondContact O-N 3.45Å; K99-A103 PolarHBondContact O-N 3.17Å |
| 100 | A | 94.6 | Very high | 90.7 | Very high | 61 Ų | 61 | 109.3 Ų | 109.3 | 50% | 0.504 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.4 | -43.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E96 L97 A103 F104 | E96-A100 WeakPolarHBondContact O-CB 3.23Å; E96-A100 PolarHBondContact O-N 2.98Å; L97-A100 PolarHBondContact O-N 2.84Å; A100-A103 PolarHBondContact O-N 3.12Å; A100-F104 PolarHBondContact O-N 3.03Å |
| 101 | R | 94.3 | Very high | 90.4 | Very high | 175 Ų | 175 | 110.9 Ų | 110.9 | 66% | 0.66 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.7 | -45.1 | 175.3 | -72.9 | 173.1 | -177.4 | -169.4 | 1.4 | 112 | L97 K99 A103 F104 D105 | L97-R101 WeakPolarHBondContact O-CB 3.35Å; L97-R101 VanDerWaalsContact O-CG 3.27Å; L97-R101 WeakPolarHBondContact O-CG 3.42Å; L97-R101 PolarHBondContact O-N 3.32Å; K99-R101 PolarHBondContact O-N 3.43Å; R101-A103 PolarHBondContact O-N 2.8Å; R101-F104 PolarHBondContact O-N 2.72Å; R101-D105 PolarHBondContact O-N 2.76Å |
| 102 | K | 94.3 | Very high | 90.1 | Very high | 117 Ų | 117 | 113.7 Ų | 113.7 | 51% | 0.509 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60.2 | -45.4 | 177.9 | -176.3 | 175.6 | 171 | 179.4 | 0 | 112.2 | R98 K99 F104 D105 E106 | R98-K102 PolarHBondContact O-N 3.23Å; R98-K102 VanDerWaalsContact O-N 3.11Å; K99-K102 PolarHBondContact O-N 3.45Å; K102-F104 VanDerWaalsContact C-N 3.3Å; K102-F104 PolarHBondContact O-N 3.19Å; K102-D105 PolarHBondContact O-N 2.86Å; K102-E106 WeakPolarHBondContact CE-OE1 3.46Å; K102-E106 IonicContact NZ-OE1 3.57Å; K102-E106 WeakPolarHBondContact O-CG 3.27Å; K102-E106 PolarHBondContact O-N 2.92Å |
| 103 | A | 91.7 | Very high | 89.8 | Confident | 56 Ų | 56 | 116.5 Ų | 116.5 | 46% | 0.463 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.1 | -36.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | K99 A100 R101 A107 | K99-A103 PolarHBondContact O-N 3.17Å; A100-A103 PolarHBondContact O-N 3.12Å; R101-A103 PolarHBondContact O-N 2.8Å; A103-A107 WeakPolarHBondContact O-CB 3.45Å; A103-A107 PolarHBondContact O-N 2.98Å |
| 104 | F | 90.8 | Very high | 89.3 | Confident | 125 Ų | 125 | 117.3 Ų | 117.3 | 55% | 0.548 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68.1 | -38.2 | 176.1 | -178 | -102.6 | 0 | 0 | 0 | 112.8 | A100 R101 K102 K108 | A100-F104 PolarHBondContact O-N 3.03Å; R101-F104 PolarHBondContact O-N 2.72Å; K102-F104 VanDerWaalsContact C-N 3.3Å; K102-F104 PolarHBondContact O-N 3.19Å; F104-K108 HydrophobicContact CE1-CD 4.4Å |
| 105 | D | 90.3 | Very high | 88.8 | Confident | 100 Ų | 100 | 118.1 Ų | 118.1 | 54% | 0.535 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -70.9 | -34.9 | 176.7 | -67.9 | -25.9 | 0 | 0 | 0 | 111.8 | R101 K102 | R101-D105 PolarHBondContact O-N 2.76Å; K102-D105 PolarHBondContact O-N 2.86Å |
| 106 | E | 87 | Confident | 88.3 | Confident | 120 Ų | 120 | 121.4 Ų | 121.4 | 56% | 0.561 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -70.9 | -35.2 | 175.5 | -73.4 | 173 | 176.3 | 0 | 0 | 112.7 | K102 K108 | K102-E106 WeakPolarHBondContact CE-OE1 3.46Å; K102-E106 IonicContact NZ-OE1 3.57Å; K102-E106 WeakPolarHBondContact O-CG 3.27Å; K102-E106 PolarHBondContact O-N 2.92Å; E106-K108 PolarHBondContact O-N 3.09Å |
| 107 | A | 78.6 | Confident | 87.6 | Confident | 77 Ų | 77 | 121.6 Ų | 121.6 | 64% | 0.636 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -5.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | A103 Y109 | A103-A107 WeakPolarHBondContact O-CB 3.45Å; A103-A107 PolarHBondContact O-N 2.98Å; A107-Y109 PolarHBondContact O-N 3.36Å |
| 108 | K | 73.3 | Confident | 86.9 | Confident | 135 Ų | 135 | 124.4 Ų | 124.4 | 59% | 0.587 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | 7.7 | 178.1 | -83.6 | -175.9 | 176.4 | 177.2 | 0 | 114.4 | F104 E106 | F104-K108 HydrophobicContact CE1-CD 4.4Å; E106-K108 PolarHBondContact O-N 3.09Å |
| 109 | Y | 55.8 | Low | 86.1 | Confident | 269 Ų | 269 | 123.7 Ų | 123.7 | 100% | 1.055 | 60% | 0.601 | S | S | * | * | trans | -132.3 | 0 | 174.1 | -66.2 | -80.9 | 0 | 0 | 0 | 110.6 | A107 | A107-Y109 PolarHBondContact O-N 3.36Š|
Retrieved 109 of 109 residues in 65.4 ms
(Link to these results)