| 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 | 73.7 | Confident | 82.4 | Confident | 178 Ų | 178 | 120 Ų | 120 | 88% | 0.877 | 57% | 0.569 | S | S | * | * | 0 | -57.1 | 0 | -85.4 | -175 | 175.3 | 0 | 0 | 113 | D3 R4 Y5 F60 | M1-D3 VanDerWaalsContact C-N 3.3Å; M1-D3 PolarHBondContact O-N 3.34Å; M1-D3 VanDerWaalsContact O-N 3.14Å; M1-R4 PolarHBondContact O-N 3.48Å; M1-Y5 PolarHBondContact O-N 2.75Å; M1-F60 HydrophobicContact CE-CD2 4.24Å; M1-F60 HydrophobicContact CE-CE2 4.07Å | |||
| 2 | L | 77.4 | Confident | 82.4 | Confident | 129 Ų | 129 | 120.3 Ų | 120.3 | 68% | 0.675 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -47.9 | -43.3 | -174.4 | -77.7 | 160.7 | 0 | 0 | 0 | 114.8 | R4 Y5 L6 | L2-R4 PolarHBondContact O-N 3.26Å; L2-Y5 WeakPolarHBondContact O-CB 3.28Å; L2-Y5 PolarHBondContact O-N 3.23Å; L2-Y5 VanDerWaalsContact O-N 3.12Å; L2-L6 WeakPolarHBondContact O-CG 3.22Å; L2-L6 PolarHBondContact O-N 3.17Å |
| 3 | D | 81.9 | Confident | 82.9 | Confident | 102 Ų | 102 | 123.3 Ų | 123.3 | 55% | 0.545 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.5 | -37.7 | 179.3 | -171 | 52.7 | 0 | 0 | 0 | 113.5 | M1 Y5 L6 Q7 | M1-D3 VanDerWaalsContact C-N 3.3Å; M1-D3 PolarHBondContact O-N 3.34Å; M1-D3 VanDerWaalsContact O-N 3.14Å; D3-Y5 VanDerWaalsContact C-N 3.32Å; D3-Y5 PolarHBondContact O-N 3.13Å; D3-L6 PolarHBondContact O-N 3.11Å; D3-Q7 WeakPolarHBondContact O-CG 3.47Å; D3-Q7 PolarHBondContact O-N 3.49Å; D3-Q7 PolarHBondContact OD2-NE2 3.07Å; D3-Q7 VanDerWaalsContact OD2-NE2 3.14Å |
| 4 | R | 81.2 | Confident | 83.2 | Confident | 188 Ų | 188 | 128.5 Ų | 128.5 | 71% | 0.709 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.1 | -38.9 | 171.9 | -72.3 | -169.9 | -178.4 | -177.7 | 1.9 | 111.5 | M1 L2 Q7 T8 | M1-R4 PolarHBondContact O-N 3.48Å; L2-R4 PolarHBondContact O-N 3.26Å; R4-Q7 PolarHBondContact O-N 2.65Å; R4-T8 WeakPolarHBondContact O-CG2 3.19Å; R4-T8 PolarHBondContact O-N 2.8Å; R4-T8 PolarHBondContact O-OG1 3.23Å |
| 5 | Y | 82.2 | Confident | 83.6 | Confident | 153 Ų | 153 | 131.1 Ų | 131.1 | 60% | 0.6 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -67 | -38.7 | 176.4 | -175.6 | -92 | 0 | 0 | 0 | 112.3 | M1 L2 D3 T8 S9 | M1-Y5 PolarHBondContact O-N 2.75Å; L2-Y5 WeakPolarHBondContact O-CB 3.28Å; L2-Y5 PolarHBondContact O-N 3.23Å; L2-Y5 VanDerWaalsContact O-N 3.12Å; D3-Y5 VanDerWaalsContact C-N 3.32Å; D3-Y5 PolarHBondContact O-N 3.13Å; Y5-T8 WeakPolarHBondContact CA-OG1 3.37Å; Y5-T8 PolarHBondContact O-OG1 3.07Å; Y5-T8 VanDerWaalsContact O-OG1 3.04Å; Y5-S9 WeakPolarHBondContact O-CB 3.35Å; Y5-S9 PolarHBondContact O-N 3.11Å |
| 6 | L | 85.5 | Confident | 83.4 | Confident | 98 Ų | 98 | 134.2 Ų | 134.2 | 51% | 0.513 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -65.1 | -42.7 | 172.6 | -71.2 | 170.2 | 0 | 0 | 0 | 111.2 | L2 D3 S9 L10 | L2-L6 WeakPolarHBondContact O-CG 3.22Å; L2-L6 PolarHBondContact O-N 3.17Å; D3-L6 PolarHBondContact O-N 3.11Å; L6-S9 PolarHBondContact O-N 3.25Å; L6-L10 VanDerWaalsContact O-CB 3.31Å; L6-L10 WeakPolarHBondContact O-CB 3.26Å; L6-L10 WeakPolarHBondContact O-CD1 3.48Å; L6-L10 VanDerWaalsContact O-CG 3.27Å; L6-L10 WeakPolarHBondContact O-CG 3.5Å; L6-L10 PolarHBondContact O-N 3.35Å |
| 7 | Q | 86.3 | Confident | 83.6 | Confident | 88 Ų | 88 | 130.4 Ų | 130.4 | 41% | 0.411 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -64.4 | -42.3 | 175.4 | -72.1 | -171.9 | 29.5 | 0 | 0 | 113.2 | D3 R4 L10 R11 | D3-Q7 WeakPolarHBondContact O-CG 3.47Å; D3-Q7 PolarHBondContact O-N 3.49Å; D3-Q7 PolarHBondContact OD2-NE2 3.07Å; D3-Q7 VanDerWaalsContact OD2-NE2 3.14Å; R4-Q7 PolarHBondContact O-N 2.65Å; Q7-L10 PolarHBondContact O-N 2.97Å; Q7-R11 VanDerWaalsContact O-CG 3.3Å; Q7-R11 WeakPolarHBondContact O-CG 3.29Å; Q7-R11 PolarHBondContact O-N 2.84Å |
| 8 | T | 84 | Confident | 83.6 | Confident | 68 Ų | 68 | 128.9 Ų | 128.9 | 42% | 0.417 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -66.8 | -43.2 | 176.1 | 53.4 | 0 | 0 | 0 | 0 | 111.5 | R4 Y5 L10 R11 L12 | R4-T8 WeakPolarHBondContact O-CG2 3.19Å; R4-T8 PolarHBondContact O-N 2.8Å; R4-T8 PolarHBondContact O-OG1 3.23Å; Y5-T8 WeakPolarHBondContact CA-OG1 3.37Å; Y5-T8 PolarHBondContact O-OG1 3.07Å; Y5-T8 VanDerWaalsContact O-OG1 3.04Å; T8-L10 PolarHBondContact O-N 2.81Å; T8-R11 PolarHBondContact O-N 2.8Å; T8-L12 PolarHBondContact O-N 3.27Å |
| 9 | S | 81.4 | Confident | 83.6 | Confident | 56 Ų | 56 | 129.5 Ų | 129.5 | 39% | 0.392 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -58.7 | -43.8 | 173.6 | -176.1 | 0 | 0 | 0 | 0 | 112.2 | Y5 L6 L12 K13 | Y5-S9 WeakPolarHBondContact O-CB 3.35Å; Y5-S9 PolarHBondContact O-N 3.11Å; L6-S9 PolarHBondContact O-N 3.25Å; S9-L12 PolarHBondContact O-N 3.23Å; S9-K13 WeakPolarHBondContact O-CB 3.36Å; S9-K13 PolarHBondContact O-N 2.81Å |
| 10 | L | 85.6 | Confident | 83.5 | Confident | 93 Ų | 93 | 129.2 Ų | 129.2 | 49% | 0.487 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.5 | -40.2 | 174.1 | -78.3 | 163.4 | 0 | 0 | 0 | 112.5 | L6 Q7 T8 K13 R14 | L6-L10 VanDerWaalsContact O-CB 3.31Å; L6-L10 WeakPolarHBondContact O-CB 3.26Å; L6-L10 WeakPolarHBondContact O-CD1 3.48Å; L6-L10 VanDerWaalsContact O-CG 3.27Å; L6-L10 WeakPolarHBondContact O-CG 3.5Å; L6-L10 PolarHBondContact O-N 3.35Å; Q7-L10 PolarHBondContact O-N 2.97Å; T8-L10 PolarHBondContact O-N 2.81Å; L10-K13 PolarHBondContact O-N 3.44Å; L10-R14 WeakPolarHBondContact O-CG 3.33Å; L10-R14 PolarHBondContact O-N 3.34Å |
| 11 | R | 87.1 | Confident | 83.5 | Confident | 167 Ų | 167 | 127.3 Ų | 127.3 | 63% | 0.63 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65 | -42.7 | 175.5 | -73 | 173.9 | -173.4 | -164.6 | 3.6 | 112 | Q7 T8 R14 R15 | Q7-R11 VanDerWaalsContact O-CG 3.3Å; Q7-R11 WeakPolarHBondContact O-CG 3.29Å; Q7-R11 PolarHBondContact O-N 2.84Å; T8-R11 PolarHBondContact O-N 2.8Å; R11-R14 PolarHBondContact O-N 2.76Å; R11-R15 PolarHBondContact O-N 2.8Å; R11-R15 VanDerWaalsContact O-N 3.17Å |
| 12 | L | 82.7 | Confident | 83.9 | Confident | 123 Ų | 123 | 124.2 Ų | 124.2 | 64% | 0.644 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -60.9 | -46.8 | 173.3 | -81.4 | 155 | 0 | 0 | 0 | 111.3 | T8 S9 R14 R15 W16 | T8-L12 PolarHBondContact O-N 3.27Å; S9-L12 PolarHBondContact O-N 3.23Å; L12-R14 VanDerWaalsContact C-N 3.32Å; L12-R14 PolarHBondContact O-N 2.87Å; L12-R15 PolarHBondContact O-N 3.28Å; L12-W16 PolarHBondContact O-N 3.15Å; L12-W16 VanDerWaalsContact O-N 3.11Å |
| 13 | K | 88.2 | Confident | 84 | Confident | 160 Ų | 160 | 124.2 Ų | 124.2 | 70% | 0.696 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64 | -34 | 179.3 | -158.3 | 170.7 | -172.2 | 176.9 | 0 | 112.9 | S9 L10 W16 | S9-K13 WeakPolarHBondContact O-CB 3.36Å; S9-K13 PolarHBondContact O-N 2.81Å; L10-K13 PolarHBondContact O-N 3.44Å; K13-W16 WeakPolarHBondContact O-CB 3.45Å |
| 14 | R | 88.2 | Confident | 83.9 | Confident | 196 Ų | 196 | 127.9 Ų | 127.9 | 74% | 0.74 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -70 | -26.4 | 171.2 | -72 | -179.2 | -162.2 | -161.3 | 6.6 | 113.6 | L10 R11 L12 P17 | L10-R14 WeakPolarHBondContact O-CG 3.33Å; L10-R14 PolarHBondContact O-N 3.34Å; R11-R14 PolarHBondContact O-N 2.76Å; L12-R14 VanDerWaalsContact C-N 3.32Å; L12-R14 PolarHBondContact O-N 2.87Å; R14-P17 WeakPolarHBondContact O-CD 3.31Å |
| 15 | R | 88.1 | Confident | 83.9 | Confident | 167 Ų | 167 | 124 Ų | 124 | 63% | 0.63 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -85 | -16.7 | 176.1 | -76.4 | -175.9 | 169.2 | -168.4 | -3.9 | 114 | R11 L12 P17 I18 W19 | R11-R15 PolarHBondContact O-N 2.8Å; R11-R15 VanDerWaalsContact O-N 3.17Å; L12-R15 PolarHBondContact O-N 3.28Å; R15-P17 VanDerWaalsContact C-CD 3.43Å; R15-I18 WeakPolarHBondContact O-CB 3.37Å; R15-I18 PolarHBondContact O-N 3.04Å; R15-I18 VanDerWaalsContact O-N 3.11Å; R15-W19 PolarHBondContact O-N 3.44Å; R15-W19 VanDerWaalsContact O-N 3.15Å |
| 16 | W | 81.3 | Confident | 83.9 | Confident | 181 Ų | 181 | 120 Ų | 120 | 69% | 0.686 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -53.3 | -39.5 | 179.7 | -165.2 | -96.3 | 0 | 0 | 0 | 115.3 | L12 K13 W19 K20 | L12-W16 PolarHBondContact O-N 3.15Å; L12-W16 VanDerWaalsContact O-N 3.11Å; K13-W16 WeakPolarHBondContact O-CB 3.45Å; W16-W19 PolarHBondContact O-N 2.8Å; W16-K20 WeakPolarHBondContact O-CB 3.42Å; W16-K20 PolarHBondContact O-N 2.86Å |
| 17 | P | 85.9 | Confident | 83.5 | Confident | 70 Ų | 70 | 122.5 Ų | 122.5 | 46% | 0.455 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.9 | -43.5 | 175.3 | -21.5 | 34.5 | 0 | 0 | 0 | 112.5 | R14 R15 W19 K20 D21 | R14-P17 WeakPolarHBondContact O-CD 3.31Å; R15-P17 VanDerWaalsContact C-CD 3.43Å; P17-W19 VanDerWaalsContact C-N 3.32Å; P17-W19 PolarHBondContact O-N 2.83Å; P17-K20 WeakPolarHBondContact O-CB 3.37Å; P17-K20 PolarHBondContact O-N 2.76Å; P17-K20 VanDerWaalsContact O-N 3.09Å; P17-D21 PolarHBondContact O-N 2.73Å |
| 18 | I | 84.7 | Confident | 82.9 | Confident | 103 Ų | 103 | 121.8 Ų | 121.8 | 53% | 0.528 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -60.9 | -43.4 | 179.5 | -56.4 | 172.6 | 0 | 0 | 0 | 110.3 | R15 D21 L22 | R15-I18 WeakPolarHBondContact O-CB 3.37Å; R15-I18 PolarHBondContact O-N 3.04Å; R15-I18 VanDerWaalsContact O-N 3.11Å; I18-D21 PolarHBondContact O-N 3.38Å; I18-L22 HydrophobicContact CG2-CD1 4.27Å; I18-L22 PolarHBondContact O-N 3.43Å |
| 19 | W | 82.3 | Confident | 82.7 | Confident | 141 Ų | 141 | 121.6 Ų | 121.6 | 53% | 0.534 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.3 | -39.8 | 175.4 | -80.7 | 51.8 | 0 | 0 | 0 | 112.1 | R15 W16 P17 D21 L22 F23 | R15-W19 PolarHBondContact O-N 3.44Å; R15-W19 VanDerWaalsContact O-N 3.15Å; W16-W19 PolarHBondContact O-N 2.8Å; P17-W19 VanDerWaalsContact C-N 3.32Å; P17-W19 PolarHBondContact O-N 2.83Å; W19-D21 VanDerWaalsContact C-N 3.31Å; W19-D21 PolarHBondContact O-N 2.98Å; W19-L22 PolarHBondContact O-N 3.21Å; W19-F23 WeakPolarHBondContact O-CD2 3.34Å; W19-F23 PolarHBondContact O-N 3.28Å |
| 20 | K | 83.1 | Confident | 82.7 | Confident | 123 Ų | 123 | 125.9 Ų | 125.9 | 54% | 0.535 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -64.5 | -34.4 | 177.7 | -169.9 | 178.4 | -176.2 | 179.4 | 0 | 112.6 | W16 P17 R24 | W16-K20 WeakPolarHBondContact O-CB 3.42Å; W16-K20 PolarHBondContact O-N 2.86Å; P17-K20 WeakPolarHBondContact O-CB 3.37Å; P17-K20 PolarHBondContact O-N 2.76Å; P17-K20 VanDerWaalsContact O-N 3.09Å; K20-R24 PolarHBondContact O-N 3.42Å |
| 21 | D | 82.7 | Confident | 82.7 | Confident | 89 Ų | 89 | 127.7 Ų | 127.7 | 48% | 0.476 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -77.7 | -38.7 | 176.6 | -66.2 | -27.9 | 0 | 0 | 0 | 111.5 | P17 I18 W19 F23 R24 T25 | P17-D21 PolarHBondContact O-N 2.73Å; I18-D21 PolarHBondContact O-N 3.38Å; W19-D21 VanDerWaalsContact C-N 3.31Å; W19-D21 PolarHBondContact O-N 2.98Å; D21-F23 VanDerWaalsContact C-N 3.35Å; D21-F23 PolarHBondContact O-N 2.65Å; D21-R24 CarbonylContact O-C 3.45Å; D21-R24 WeakPolarHBondContact O-CA 3.49Å; D21-R24 WeakPolarHBondContact O-CB 3.3Å; D21-R24 PolarHBondContact O-N 3.44Å; D21-T25 PolarHBondContact O-N 3.22Å; D21-T25 PolarHBondContact O-OG1 3.09Å |
| 22 | L | 81.5 | Confident | 82.3 | Confident | 113 Ų | 113 | 126 Ų | 126 | 59% | 0.592 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -55.8 | -46.8 | 170.2 | -114.1 | 127.2 | 0 | 0 | 0 | 112.2 | I18 W19 R24 T25 A26 | I18-L22 HydrophobicContact CG2-CD1 4.27Å; I18-L22 PolarHBondContact O-N 3.43Å; W19-L22 PolarHBondContact O-N 3.21Å; L22-R24 PolarHBondContact O-N 3.04Å; L22-T25 WeakPolarHBondContact CA-OG1 3.45Å; L22-T25 PolarHBondContact O-N 3.01Å; L22-T25 PolarHBondContact O-OG1 3.39Å; L22-A26 PolarHBondContact O-N 3.37Å; L22-A26 VanDerWaalsContact O-N 3.14Å |
| 23 | F | 80 | Confident | 82.6 | Confident | 130 Ų | 130 | 123.2 Ų | 123.2 | 57% | 0.57 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -63.6 | -23 | 173.9 | -97.5 | -77.1 | 0 | 0 | 0 | 113.6 | W19 D21 V41 | W19-F23 WeakPolarHBondContact O-CD2 3.34Å; W19-F23 PolarHBondContact O-N 3.28Å; D21-F23 VanDerWaalsContact C-N 3.35Å; D21-F23 PolarHBondContact O-N 2.65Å; F23-V41 HydrophobicContact CE1-CG1 4.04Å; F23-V41 HydrophobicContact CE1-CG2 3.94Å; F23-V41 HydrophobicContact CZ-CG1 4.08Å; F23-V41 HydrophobicContact CZ-CG2 4.47Å |
| 24 | R | 79.9 | Confident | 82.6 | Confident | 178 Ų | 178 | 125.5 Ų | 125.5 | 67% | 0.672 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -87.6 | -25 | 177.8 | -156.7 | -167.9 | -65 | -122.1 | 13.4 | 112.5 | K20 D21 L22 | K20-R24 PolarHBondContact O-N 3.42Å; D21-R24 CarbonylContact O-C 3.45Å; D21-R24 WeakPolarHBondContact O-CA 3.49Å; D21-R24 WeakPolarHBondContact O-CB 3.3Å; D21-R24 PolarHBondContact O-N 3.44Å; L22-R24 PolarHBondContact O-N 3.04Å |
| 25 | T | 82.3 | Confident | 82.7 | Confident | 108 Ų | 108 | 123.2 Ų | 123.2 | 66% | 0.663 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -85.5 | -19.8 | 175.1 | 48.8 | 0 | 0 | 0 | 0 | 113.9 | D21 L22 N27 | D21-T25 PolarHBondContact O-N 3.22Å; D21-T25 PolarHBondContact O-OG1 3.09Å; L22-T25 WeakPolarHBondContact CA-OG1 3.45Å; L22-T25 PolarHBondContact O-N 3.01Å; L22-T25 PolarHBondContact O-OG1 3.39Å; T25-N27 PolarHBondContact O-N 3.37Å |
| 26 | A | 80.8 | Confident | 82.8 | Confident | 68 Ų | 68 | 117.7 Ų | 117.7 | 56% | 0.562 | 59% | 0.588 | S | S | * | * | trans | -74.9 | 83.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L22 P28 | L22-A26 PolarHBondContact O-N 3.37Å; L22-A26 VanDerWaalsContact O-N 3.14Å; A26-P28 WeakPolarHBondContact O-CD 3.43Å | ||
| 27 | N | 78.3 | Confident | 83.1 | Confident | 150 Ų | 150 | 111 Ų | 111 | 80% | 0.802 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 120 | 167.2 | -82.6 | -46.4 | 0 | 0 | 0 | 109.2 | T25 | T25-N27 PolarHBondContact O-N 3.37Š|
| 28 | P | 73.3 | Confident | 83.4 | Confident | 74 Ų | 74 | 113.4 Ų | 113.4 | 48% | 0.481 | 58% | 0.576 | S | S | . | * | P | Polyproline II helix | trans | -66.8 | 149.8 | 173.3 | 29.3 | -34 | 0 | 0 | 0 | 110.1 | A26 | A26-P28 WeakPolarHBondContact O-CD 3.43Š|
| 29 | P | 80.1 | Confident | 83.8 | Confident | 63 Ų | 63 | 114.4 Ų | 114.4 | 41% | 0.409 | 58% | 0.581 | S | S | . | * | P | Polyproline II helix | trans | -60.7 | 143.1 | 174.9 | 26.8 | -34.6 | 0 | 0 | 0 | 110.4 | N31 W32 | P29-N31 PolarHBondContact O-N 3.45Å; P29-W32 HydrophobicContact CG-CB 4.23Å; P29-W32 HydrophobicContact CG-CD2 4.08Å; P29-W32 HydrophobicContact CG-CG 3.75Å; P29-W32 PolarHBondContact O-N 3.2Å |
| 30 | P | 80.7 | Confident | 84.4 | Confident | 146 Ų | 146 | 110.3 Ų | 110.3 | 95% | 0.948 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -9 | -164.6 | 25.8 | -35.8 | 0 | 0 | 0 | 115.1 | ||
| 31 | N | 86 | Confident | 84.9 | Confident | 131 Ų | 131 | 107 Ų | 107 | 70% | 0.701 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | -2.1 | 177.6 | 60.3 | -9.6 | 0 | 0 | 0 | 113.9 | P29 | P29-N31 PolarHBondContact O-N 3.45Š|
| 32 | W | 79.6 | Confident | 85.5 | Confident | 133 Ų | 133 | 106.4 Ų | 106.4 | 50% | 0.504 | 56% | 0.561 | S | S | . | * | trans | -87.8 | 118.3 | -179.9 | -83.2 | 34.6 | 0 | 0 | 0 | 112 | P29 W34 T40 | P29-W32 HydrophobicContact CG-CB 4.23Å; P29-W32 HydrophobicContact CG-CD2 4.08Å; P29-W32 HydrophobicContact CG-CG 3.75Å; P29-W32 PolarHBondContact O-N 3.2Å; W32-W34 PolarHBondContact O-N 2.83Å; W32-T40 HydrophobicContact CZ3-CG2 4.47Å | ||
| 33 | S | 88 | Confident | 86.1 | Confident | 63 Ų | 63 | 104.1 Ų | 104.1 | 44% | 0.441 | 55% | 0.554 | S | S | . | * | trans | -55.4 | 126.4 | 166.7 | 174.6 | 0 | 0 | 0 | 0 | 110.2 | K35 S36 T37 | S33-K35 PolarHBondContact O-N 3.18Å; S33-K35 PolarHBondContact OG-N 2.86Å; S33-S36 WeakPolarHBondContact O-CA 3.4Å; S33-S36 VanDerWaalsContact O-CB 3.29Å; S33-S36 WeakPolarHBondContact O-CB 3.47Å; S33-S36 PolarHBondContact O-N 3.02Å; S33-T37 PolarHBondContact O-N 3.29Å | ||
| 34 | W | 87.6 | Confident | 86.9 | Confident | 209 Ų | 209 | 102.7 Ų | 102.7 | 79% | 0.792 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -45.6 | -30.8 | 172.1 | 63.4 | -56.9 | 0 | 0 | 0 | 114.3 | W32 L38 | W32-W34 PolarHBondContact O-N 2.83Å; W34-L38 WeakPolarHBondContact O-CB 3.48Å; W34-L38 PolarHBondContact O-N 3.2Å |
| 35 | K | 90.5 | Very high | 87.6 | Confident | 148 Ų | 148 | 97 Ų | 97 | 64% | 0.643 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.3 | -39.7 | 173.7 | -61.7 | -176.4 | 179.1 | -179 | 0 | 112.6 | S33 L38 L39 | S33-K35 PolarHBondContact O-N 3.18Å; S33-K35 PolarHBondContact OG-N 2.86Å; K35-L38 PolarHBondContact O-N 3.31Å; K35-L39 WeakPolarHBondContact O-CB 3.47Å; K35-L39 PolarHBondContact O-N 2.93Å |
| 36 | S | 89.9 | Confident | 88.2 | Confident | 50 Ų | 50 | 95.9 Ų | 95.9 | 35% | 0.35 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.3 | -43.5 | 176.4 | -171.4 | 0 | 0 | 0 | 0 | 111.4 | S33 L38 L39 T40 | S33-S36 WeakPolarHBondContact O-CA 3.4Å; S33-S36 VanDerWaalsContact O-CB 3.29Å; S33-S36 WeakPolarHBondContact O-CB 3.47Å; S33-S36 PolarHBondContact O-N 3.02Å; S36-L38 VanDerWaalsContact C-N 3.34Å; S36-L38 PolarHBondContact O-N 2.97Å; S36-L39 PolarHBondContact O-N 3.13Å; S36-T40 WeakPolarHBondContact O-CG2 3.32Å; S36-T40 PolarHBondContact O-N 2.84Å; S36-T40 PolarHBondContact O-OG1 3.04Å |
| 37 | T | 88.3 | Confident | 88.9 | Confident | 41 Ų | 41 | 97.5 Ų | 97.5 | 25% | 0.252 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.2 | -40 | 175 | -45.1 | 0 | 0 | 0 | 0 | 111.7 | S33 T40 V41 | S33-T37 PolarHBondContact O-N 3.29Å; T37-T40 WeakPolarHBondContact CA-OG1 3.49Å; T37-T40 PolarHBondContact O-OG1 3.29Å; T37-T40 VanDerWaalsContact O-OG1 3.07Å; T37-V41 WeakPolarHBondContact O-CB 3.49Å; T37-V41 VanDerWaalsContact O-CG2 3.24Å; T37-V41 WeakPolarHBondContact O-CG2 3.32Å; T37-V41 PolarHBondContact O-N 3.14Å; T37-V41 VanDerWaalsContact O-N 3.08Å |
| 38 | L | 91.7 | Very high | 89.7 | Confident | 121 Ų | 121 | 95 Ų | 95 | 63% | 0.634 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.9 | -45.4 | 174.3 | -166.8 | 79.2 | 0 | 0 | 0 | 111.4 | W34 K35 S36 V41 V42 | W34-L38 WeakPolarHBondContact O-CB 3.48Å; W34-L38 PolarHBondContact O-N 3.2Å; K35-L38 PolarHBondContact O-N 3.31Å; S36-L38 VanDerWaalsContact C-N 3.34Å; S36-L38 PolarHBondContact O-N 2.97Å; L38-V41 PolarHBondContact O-N 3.18Å; L38-V42 WeakPolarHBondContact O-CB 3.32Å; L38-V42 VanDerWaalsContact O-CG2 3.31Å; L38-V42 WeakPolarHBondContact O-CG2 3.38Å; L38-V42 PolarHBondContact O-N 3.08Å |
| 39 | L | 94.5 | Very high | 90.7 | Very high | 124 Ų | 124 | 98.5 Ų | 98.5 | 65% | 0.649 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -65 | -41.3 | -178.8 | -172.7 | 64.9 | 0 | 0 | 0 | 112.2 | K35 S36 V42 C43 | K35-L39 WeakPolarHBondContact O-CB 3.47Å; K35-L39 PolarHBondContact O-N 2.93Å; S36-L39 PolarHBondContact O-N 3.13Å; L39-V42 PolarHBondContact O-N 2.87Å; L39-C43 VanDerWaalsContact O-CB 3.27Å; L39-C43 WeakPolarHBondContact O-CB 3.39Å; L39-C43 PolarHBondContact O-N 3.45Å |
| 40 | T | 92.8 | Very high | 91.4 | Very high | 54 Ų | 54 | 98.4 Ų | 98.4 | 33% | 0.331 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.1 | -40.9 | 176.1 | 48.8 | 0 | 0 | 0 | 0 | 112 | W32 S36 T37 C43 L44 | W32-T40 HydrophobicContact CZ3-CG2 4.47Å; S36-T40 WeakPolarHBondContact O-CG2 3.32Å; S36-T40 PolarHBondContact O-N 2.84Å; S36-T40 PolarHBondContact O-OG1 3.04Å; T37-T40 WeakPolarHBondContact CA-OG1 3.49Å; T37-T40 PolarHBondContact O-OG1 3.29Å; T37-T40 VanDerWaalsContact O-OG1 3.07Å; T40-C43 PolarHBondContact O-N 3.44Å; T40-L44 WeakPolarHBondContact O-CB 3.27Å; T40-L44 WeakPolarHBondContact O-CG 3.31Å; T40-L44 PolarHBondContact O-N 3.17Å |
| 41 | V | 94.1 | Very high | 92.1 | Very high | 53 Ų | 53 | 99 Ų | 99 | 32% | 0.321 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64 | -41.6 | 174.2 | 170.4 | 0 | 0 | 0 | 0 | 111.9 | F23 T37 L38 A45 | F23-V41 HydrophobicContact CE1-CG1 4.04Å; F23-V41 HydrophobicContact CE1-CG2 3.94Å; F23-V41 HydrophobicContact CZ-CG1 4.08Å; F23-V41 HydrophobicContact CZ-CG2 4.47Å; T37-V41 WeakPolarHBondContact O-CB 3.49Å; T37-V41 VanDerWaalsContact O-CG2 3.24Å; T37-V41 WeakPolarHBondContact O-CG2 3.32Å; T37-V41 PolarHBondContact O-N 3.14Å; T37-V41 VanDerWaalsContact O-N 3.08Å; L38-V41 PolarHBondContact O-N 3.18Å; V41-A45 WeakPolarHBondContact O-CB 3.47Å; V41-A45 PolarHBondContact O-N 3.42Å |
| 42 | V | 94.9 | Very high | 92.5 | Very high | 78 Ų | 78 | 97.1 Ų | 97.1 | 47% | 0.473 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.2 | -42.7 | 174.8 | 170.4 | 0 | 0 | 0 | 0 | 111 | L38 L39 A45 V46 | L38-V42 WeakPolarHBondContact O-CB 3.32Å; L38-V42 VanDerWaalsContact O-CG2 3.31Å; L38-V42 WeakPolarHBondContact O-CG2 3.38Å; L38-V42 PolarHBondContact O-N 3.08Å; L39-V42 PolarHBondContact O-N 2.87Å; V42-A45 PolarHBondContact O-N 3.29Å; V42-V46 WeakPolarHBondContact O-CG2 3.3Å; V42-V46 PolarHBondContact O-N 2.86Å |
| 43 | C | 95.2 | Very high | 93.2 | Very high | 64 Ų | 64 | 98.3 Ų | 98.3 | 43% | 0.432 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.1 | -48 | 177.6 | -169.4 | 0 | 0 | 0 | 0 | 111.8 | L39 T40 A45 V46 Q47 | L39-C43 VanDerWaalsContact O-CB 3.27Å; L39-C43 WeakPolarHBondContact O-CB 3.39Å; L39-C43 PolarHBondContact O-N 3.45Å; T40-C43 PolarHBondContact O-N 3.44Å; C43-A45 VanDerWaalsContact C-N 3.33Å; C43-A45 PolarHBondContact O-N 2.91Å; C43-V46 PolarHBondContact O-N 3.36Å; C43-Q47 WeakPolarHBondContact O-CG 3.42Å; C43-Q47 PolarHBondContact O-N 3.41Å |
| 44 | L | 96 | Very high | 93.6 | Very high | 101 Ų | 101 | 99.1 Ų | 99.1 | 53% | 0.529 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.1 | -38.2 | 175.2 | -71.4 | 171.5 | 0 | 0 | 0 | 112.3 | T40 Q47 L48 | T40-L44 WeakPolarHBondContact O-CB 3.27Å; T40-L44 WeakPolarHBondContact O-CG 3.31Å; T40-L44 PolarHBondContact O-N 3.17Å; L44-Q47 PolarHBondContact O-N 2.96Å; L44-L48 WeakPolarHBondContact O-CB 3.44Å; L44-L48 VanDerWaalsContact O-CG 3.31Å; L44-L48 WeakPolarHBondContact O-CG 3.48Å; L44-L48 PolarHBondContact O-N 3.11Å |
| 45 | A | 94.6 | Very high | 93.9 | Very high | 57 Ų | 57 | 95.2 Ų | 95.2 | 47% | 0.471 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.6 | -40.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V41 V42 C43 F49 | V41-A45 WeakPolarHBondContact O-CB 3.47Å; V41-A45 PolarHBondContact O-N 3.42Å; V42-A45 PolarHBondContact O-N 3.29Å; C43-A45 VanDerWaalsContact C-N 3.33Å; C43-A45 PolarHBondContact O-N 2.91Å; A45-F49 WeakPolarHBondContact O-CB 3.42Å; A45-F49 PolarHBondContact O-N 3.48Å |
| 46 | V | 94.9 | Very high | 93.9 | Very high | 85 Ų | 85 | 93.2 Ų | 93.2 | 52% | 0.515 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.7 | -45.8 | 174.3 | 172 | 0 | 0 | 0 | 0 | 110.8 | V42 C43 L48 F49 T50 | V42-V46 WeakPolarHBondContact O-CG2 3.3Å; V42-V46 PolarHBondContact O-N 2.86Å; C43-V46 PolarHBondContact O-N 3.36Å; V46-L48 PolarHBondContact O-N 3.02Å; V46-F49 PolarHBondContact O-N 3.17Å; V46-T50 PolarHBondContact O-N 3.45Å; V46-T50 PolarHBondContact O-OG1 3.37Å |
| 47 | Q | 95.2 | Very high | 94.1 | Very high | 102 Ų | 102 | 95.6 Ų | 95.6 | 48% | 0.477 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.4 | -45.2 | 176.1 | -75.3 | 179.1 | -23.1 | 0 | 0 | 112.3 | C43 L44 F49 T50 F51 | C43-Q47 WeakPolarHBondContact O-CG 3.42Å; C43-Q47 PolarHBondContact O-N 3.41Å; L44-Q47 PolarHBondContact O-N 2.96Å; Q47-F49 VanDerWaalsContact C-N 3.32Å; Q47-F49 PolarHBondContact O-N 2.95Å; Q47-T50 PolarHBondContact O-N 3.15Å; Q47-T50 PolarHBondContact O-OG1 2.89Å; Q47-F51 WeakPolarHBondContact O-CB 3.44Å; Q47-F51 WeakPolarHBondContact O-CD2 3.44Å; Q47-F51 PolarHBondContact O-N 3.42Å |
| 48 | L | 96.2 | Very high | 94.4 | Very high | 99 Ų | 99 | 101 Ų | 101 | 52% | 0.518 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.2 | -37.9 | 175.9 | -73.2 | 172.2 | 0 | 0 | 0 | 111.9 | L44 V46 F51 V52 | L44-L48 WeakPolarHBondContact O-CB 3.44Å; L44-L48 VanDerWaalsContact O-CG 3.31Å; L44-L48 WeakPolarHBondContact O-CG 3.48Å; L44-L48 PolarHBondContact O-N 3.11Å; V46-L48 PolarHBondContact O-N 3.02Å; L48-F51 PolarHBondContact O-N 3.39Å; L48-V52 WeakPolarHBondContact O-CB 3.38Å; L48-V52 VanDerWaalsContact O-CG2 3.3Å; L48-V52 WeakPolarHBondContact O-CG2 3.34Å; L48-V52 PolarHBondContact O-N 2.91Å |
| 49 | F | 94.2 | Very high | 94.5 | Very high | 146 Ų | 146 | 101.2 Ų | 101.2 | 64% | 0.64 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.4 | -42.6 | 176.9 | -167.1 | -93.4 | 0 | 0 | 0 | 112 | A45 V46 Q47 V52 W53 | A45-F49 WeakPolarHBondContact O-CB 3.42Å; A45-F49 PolarHBondContact O-N 3.48Å; V46-F49 PolarHBondContact O-N 3.17Å; Q47-F49 VanDerWaalsContact C-N 3.32Å; Q47-F49 PolarHBondContact O-N 2.95Å; F49-V52 PolarHBondContact O-N 3.18Å; F49-W53 WeakPolarHBondContact O-CB 3.48Å; F49-W53 PolarHBondContact O-N 3Å |
| 50 | T | 94.2 | Very high | 94.2 | Very high | 62 Ų | 62 | 100.4 Ų | 100.4 | 38% | 0.38 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67 | -40.8 | 175 | 55.2 | 0 | 0 | 0 | 0 | 111.9 | V46 Q47 W53 C54 | V46-T50 PolarHBondContact O-N 3.45Å; V46-T50 PolarHBondContact O-OG1 3.37Å; Q47-T50 PolarHBondContact O-N 3.15Å; Q47-T50 PolarHBondContact O-OG1 2.89Å; T50-W53 PolarHBondContact O-N 3.44Å; T50-C54 WeakPolarHBondContact O-CB 3.46Å; T50-C54 PolarHBondContact O-N 3.38Å; T50-C54 PolarHBondContact O-SG 2.96Å |
| 51 | F | 95.2 | Very high | 94 | Very high | 158 Ų | 158 | 100.2 Ų | 100.2 | 69% | 0.693 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.5 | -45.6 | 174.3 | -99.6 | -82.3 | 0 | 0 | 0 | 112.7 | Q47 L48 F55 | Q47-F51 WeakPolarHBondContact O-CB 3.44Å; Q47-F51 WeakPolarHBondContact O-CD2 3.44Å; Q47-F51 PolarHBondContact O-N 3.42Å; L48-F51 PolarHBondContact O-N 3.39Å; F51-F55 VanDerWaalsContact O-CB 3.27Å; F51-F55 WeakPolarHBondContact O-CB 3.33Å; F51-F55 PolarHBondContact O-N 3Å |
| 52 | V | 94.7 | Very high | 93.7 | Very high | 91 Ų | 91 | 100.6 Ų | 100.6 | 55% | 0.552 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.9 | -41.1 | 177.1 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | L48 F49 F55 E56 | L48-V52 WeakPolarHBondContact O-CB 3.38Å; L48-V52 VanDerWaalsContact O-CG2 3.3Å; L48-V52 WeakPolarHBondContact O-CG2 3.34Å; L48-V52 PolarHBondContact O-N 2.91Å; F49-V52 PolarHBondContact O-N 3.18Å; V52-F55 PolarHBondContact O-N 3.11Å; V52-E56 WeakPolarHBondContact O-CG 3.48Å; V52-E56 PolarHBondContact O-N 3.27Å |
| 53 | W | 94.6 | Very high | 93.2 | Very high | 158 Ų | 158 | 98.6 Ų | 98.6 | 60% | 0.598 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -68.1 | -42.9 | 179.1 | -170.2 | 18.7 | 0 | 0 | 0 | 112.3 | F49 T50 F55 E56 L57 | F49-W53 WeakPolarHBondContact O-CB 3.48Å; F49-W53 PolarHBondContact O-N 3Å; T50-W53 PolarHBondContact O-N 3.44Å; W53-F55 VanDerWaalsContact C-N 3.34Å; W53-F55 PolarHBondContact O-N 3.14Å; W53-E56 PolarHBondContact O-N 3.29Å; W53-L57 HydrophobicContact CG-CD1 4.47Å; W53-L57 WeakPolarHBondContact O-CB 3.46Å; W53-L57 WeakPolarHBondContact O-CG 2.83Å; W53-L57 PolarHBondContact O-N 3.37Å |
| 54 | C | 95.3 | Very high | 92.3 | Very high | 80 Ų | 80 | 100.8 Ų | 100.8 | 54% | 0.541 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.6 | -38 | 173.1 | -70.5 | 0 | 0 | 0 | 0 | 112.1 | T50 L57 W58 | T50-C54 WeakPolarHBondContact O-CB 3.46Å; T50-C54 PolarHBondContact O-N 3.38Å; T50-C54 PolarHBondContact O-SG 2.96Å; C54-L57 PolarHBondContact O-N 2.93Å; C54-W58 VanDerWaalsContact O-CB 3.3Å; C54-W58 WeakPolarHBondContact O-CB 3.41Å; C54-W58 PolarHBondContact O-N 2.97Å |
| 55 | F | 94.3 | Very high | 91.3 | Very high | 127 Ų | 127 | 99.7 Ų | 99.7 | 56% | 0.557 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.2 | -42.4 | 176.3 | -173.5 | -93.1 | 0 | 0 | 0 | 112.3 | F51 V52 W53 W58 Y59 | F51-F55 VanDerWaalsContact O-CB 3.27Å; F51-F55 WeakPolarHBondContact O-CB 3.33Å; F51-F55 PolarHBondContact O-N 3Å; V52-F55 PolarHBondContact O-N 3.11Å; W53-F55 VanDerWaalsContact C-N 3.34Å; W53-F55 PolarHBondContact O-N 3.14Å; F55-W58 HydrophobicContact CE2-CE3 4.35Å; F55-W58 HydrophobicContact CE2-CZ3 4.31Å; F55-W58 PolarHBondContact O-N 3.26Å; F55-Y59 WeakPolarHBondContact O-CB 3.2Å; F55-Y59 PolarHBondContact O-N 2.96Å |
| 56 | E | 91.1 | Very high | 89.8 | Confident | 106 Ų | 106 | 101.3 Ų | 101.3 | 50% | 0.495 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.6 | -43.3 | 172.6 | -78.7 | -79.7 | 174.2 | 0 | 0 | 111.7 | V52 W53 Y59 F60 | V52-E56 WeakPolarHBondContact O-CG 3.48Å; V52-E56 PolarHBondContact O-N 3.27Å; W53-E56 PolarHBondContact O-N 3.29Å; E56-Y59 PolarHBondContact O-N 2.95Å; E56-F60 VanDerWaalsContact O-CB 3.3Å; E56-F60 WeakPolarHBondContact O-CB 3.2Å; E56-F60 PolarHBondContact O-N 3.43Å |
| 57 | L | 93.1 | Very high | 88.1 | Confident | 101 Ų | 101 | 103 Ų | 103 | 53% | 0.529 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.5 | -44.8 | 176.2 | -73.8 | 169.6 | 0 | 0 | 0 | 112.3 | W53 C54 F60 A61 | W53-L57 HydrophobicContact CG-CD1 4.47Å; W53-L57 WeakPolarHBondContact O-CB 3.46Å; W53-L57 WeakPolarHBondContact O-CG 2.83Å; W53-L57 PolarHBondContact O-N 3.37Å; C54-L57 PolarHBondContact O-N 2.93Å; L57-F60 PolarHBondContact O-N 3.3Å; L57-A61 WeakPolarHBondContact O-CB 3.37Å; L57-A61 PolarHBondContact O-N 3.23Å |
| 58 | W | 95.2 | Very high | 86.3 | Confident | 153 Ų | 153 | 102.4 Ų | 102.4 | 58% | 0.58 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.3 | -41.5 | 176.5 | -179.6 | 82.5 | 0 | 0 | 0 | 112.1 | C54 F55 A61 N62 | C54-W58 VanDerWaalsContact O-CB 3.3Å; C54-W58 WeakPolarHBondContact O-CB 3.41Å; C54-W58 PolarHBondContact O-N 2.97Å; F55-W58 HydrophobicContact CE2-CE3 4.35Å; F55-W58 HydrophobicContact CE2-CZ3 4.31Å; F55-W58 PolarHBondContact O-N 3.26Å; W58-A61 PolarHBondContact O-N 3.42Å; W58-N62 WeakPolarHBondContact CZ2-ND2 3.48Å; W58-N62 PolarHBondContact NE1-ND2 3.2Å; W58-N62 PolarHBondContact O-N 3.27Å |
| 59 | Y | 93.6 | Very high | 84.5 | Confident | 126 Ų | 126 | 101.2 Ų | 101.2 | 49% | 0.494 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.2 | -40.3 | 175.6 | -172.5 | -97.8 | 0 | 0 | 0 | 111.7 | F55 E56 N62 A63 | F55-Y59 WeakPolarHBondContact O-CB 3.2Å; F55-Y59 PolarHBondContact O-N 2.96Å; E56-Y59 PolarHBondContact O-N 2.95Å; Y59-N62 PolarHBondContact O-N 3.4Å; Y59-A63 VanDerWaalsContact O-CB 3.23Å; Y59-A63 WeakPolarHBondContact O-CB 3.45Å; Y59-A63 PolarHBondContact O-N 3.24Å |
| 60 | F | 87.7 | Confident | 82.8 | Confident | 107 Ų | 107 | 98.2 Ų | 98.2 | 47% | 0.469 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.6 | -40.7 | 175.8 | -168 | -92.4 | 0 | 0 | 0 | 112.1 | M1 E56 L57 A63 Q64 | M1-F60 HydrophobicContact CE-CD2 4.24Å; M1-F60 HydrophobicContact CE-CE2 4.07Å; E56-F60 VanDerWaalsContact O-CB 3.3Å; E56-F60 WeakPolarHBondContact O-CB 3.2Å; E56-F60 PolarHBondContact O-N 3.43Å; L57-F60 PolarHBondContact O-N 3.3Å; F60-A63 PolarHBondContact O-N 2.97Å; F60-Q64 HydrophobicContact CE1-CG 4.38Å; F60-Q64 VanDerWaalsContact O-CG 3.29Å; F60-Q64 WeakPolarHBondContact O-CG 3.24Å; F60-Q64 PolarHBondContact O-N 3.01Å |
| 61 | A | 89.1 | Confident | 80.8 | Confident | 51 Ų | 51 | 100.5 Ų | 100.5 | 42% | 0.421 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62 | -45.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | L57 W58 Q64 T65 | L57-A61 WeakPolarHBondContact O-CB 3.37Å; L57-A61 PolarHBondContact O-N 3.23Å; W58-A61 PolarHBondContact O-N 3.42Å; A61-Q64 WeakPolarHBondContact O-CB 3.38Å; A61-Q64 PolarHBondContact O-N 3.46Å; A61-T65 PolarHBondContact O-N 3.33Å |
| 62 | N | 88.4 | Confident | 78.8 | Confident | 60 Ų | 60 | 100.9 Ų | 100.9 | 32% | 0.321 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -73.8 | -29.8 | 178.1 | -74.2 | -20.2 | 0 | 0 | 0 | 113.6 | W58 Y59 Q64 T65 C66 | W58-N62 WeakPolarHBondContact CZ2-ND2 3.48Å; W58-N62 PolarHBondContact NE1-ND2 3.2Å; W58-N62 PolarHBondContact O-N 3.27Å; Y59-N62 PolarHBondContact O-N 3.4Å; N62-Q64 PolarHBondContact O-N 3.39Å; N62-T65 WeakPolarHBondContact CA-OG1 3.35Å; N62-T65 PolarHBondContact O-N 3.02Å; N62-T65 PolarHBondContact O-OG1 2.93Å; N62-C66 PolarHBondContact O-N 3.2Å; N62-C66 PolarHBondContact O-SG 3.45Å; N62-C66 VanDerWaalsContact O-SG 3.38Å |
| 63 | A | 85.4 | Confident | 77.1 | Confident | 36 Ų | 36 | 105.8 Ų | 105.8 | 30% | 0.298 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.3 | -30.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y59 F60 | Y59-A63 VanDerWaalsContact O-CB 3.23Å; Y59-A63 WeakPolarHBondContact O-CB 3.45Å; Y59-A63 PolarHBondContact O-N 3.24Å; F60-A63 PolarHBondContact O-N 2.97Å |
| 64 | Q | 75.7 | Confident | 75.2 | Confident | 111 Ų | 111 | 103.2 Ų | 103.2 | 52% | 0.519 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -68.5 | -46 | 172.3 | -65 | -92.3 | -11.7 | 0 | 0 | 111 | F60 A61 N62 N67 L68 | F60-Q64 HydrophobicContact CE1-CG 4.38Å; F60-Q64 VanDerWaalsContact O-CG 3.29Å; F60-Q64 WeakPolarHBondContact O-CG 3.24Å; F60-Q64 PolarHBondContact O-N 3.01Å; A61-Q64 WeakPolarHBondContact O-CB 3.38Å; A61-Q64 PolarHBondContact O-N 3.46Å; N62-Q64 PolarHBondContact O-N 3.39Å; Q64-N67 PolarHBondContact O-N 2.93Å; Q64-L68 WeakPolarHBondContact O-CD1 3.2Å |
| 65 | T | 74.1 | Confident | 73.1 | Confident | 77 Ų | 77 | 103.1 Ų | 103.1 | 47% | 0.472 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.7 | -39.1 | -177.7 | 57.3 | 0 | 0 | 0 | 0 | 112.8 | A61 N62 N67 L68 S69 | A61-T65 PolarHBondContact O-N 3.33Å; N62-T65 WeakPolarHBondContact CA-OG1 3.35Å; N62-T65 PolarHBondContact O-N 3.02Å; N62-T65 PolarHBondContact O-OG1 2.93Å; T65-N67 VanDerWaalsContact C-N 3.29Å; T65-N67 PolarHBondContact O-N 3.36Å; T65-L68 PolarHBondContact O-N 2.84Å; T65-L68 VanDerWaalsContact O-N 3.14Å; T65-S69 PolarHBondContact O-N 3.02Å; T65-S69 PolarHBondContact O-OG 3.22Å |
| 66 | C | 62.6 | Low | 71.8 | Confident | 91 Ų | 91 | 102.8 Ų | 102.8 | 62% | 0.615 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.6 | -27.4 | 178.6 | -68.5 | 0 | 0 | 0 | 0 | 114.4 | N62 | N62-C66 PolarHBondContact O-N 3.2Å; N62-C66 PolarHBondContact O-SG 3.45Å; N62-C66 VanDerWaalsContact O-SG 3.38Å |
| 67 | N | 60.1 | Low | 70.7 | Confident | 122 Ų | 122 | 102.2 Ų | 102.2 | 65% | 0.652 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -77.5 | -25.5 | 174.7 | -98 | -21.8 | 0 | 0 | 0 | 113 | Q64 T65 S70 | Q64-N67 PolarHBondContact O-N 2.93Å; T65-N67 VanDerWaalsContact C-N 3.29Å; T65-N67 PolarHBondContact O-N 3.36Å; N67-S70 PolarHBondContact O-OG 3.16Å; N67-S70 VanDerWaalsContact O-OG 3.1Å |
| 68 | L | 57.6 | Low | 69.8 | Low | 89 Ų | 89 | 103.1 Ų | 103.1 | 47% | 0.466 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -72.9 | -37.6 | 173.9 | -93.7 | 69.7 | 0 | 0 | 0 | 111.7 | Q64 T65 S70 L71 Q72 F80 | Q64-L68 WeakPolarHBondContact O-CD1 3.2Å; T65-L68 PolarHBondContact O-N 2.84Å; T65-L68 VanDerWaalsContact O-N 3.14Å; L68-S70 PolarHBondContact O-N 3.22Å; L68-L71 PolarHBondContact O-N 2.96Å; L68-L71 VanDerWaalsContact O-N 3.1Å; L68-Q72 PolarHBondContact O-N 3.04Å; L68-F80 HydrophobicContact CD2-CE1 4.34Å; L68-F80 HydrophobicContact CD2-CZ 3.73Å; L68-F80 HydrophobicContact CG-CZ 4.08Å |
| 69 | S | 59.2 | Low | 68.5 | Low | 73 Ų | 73 | 101.2 Ų | 101.2 | 51% | 0.51 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66 | -18.3 | -178 | -56.5 | 0 | 0 | 0 | 0 | 114.7 | T65 | T65-S69 PolarHBondContact O-N 3.02Å; T65-S69 PolarHBondContact O-OG 3.22Å |
| 70 | S | 57.9 | Low | 67.1 | Low | 84 Ų | 84 | 100.2 Ų | 100.2 | 59% | 0.587 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -82.2 | -26.4 | 173.2 | 65.1 | 0 | 0 | 0 | 0 | 113.1 | N67 L68 | N67-S70 PolarHBondContact O-OG 3.16Å; N67-S70 VanDerWaalsContact O-OG 3.1Å; L68-S70 PolarHBondContact O-N 3.22Å |
| 71 | L | 52.8 | Low | 66.2 | Low | 110 Ų | 110 | 100.1 Ų | 100.1 | 58% | 0.576 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -81.9 | -20.3 | 175.1 | -118.4 | 73.6 | 0 | 0 | 0 | 113.1 | L68 K73 | L68-L71 PolarHBondContact O-N 2.96Å; L68-L71 VanDerWaalsContact O-N 3.1Å; L71-K73 PolarHBondContact O-N 3.4Å |
| 72 | Q | 51.8 | Low | 65.3 | Low | 165 Ų | 165 | 100.6 Ų | 100.6 | 77% | 0.771 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | 9.5 | -171 | -145.3 | -174.3 | -10.6 | 0 | 0 | 115.3 | L68 | L68-Q72 PolarHBondContact O-N 3.04Š|
| 73 | K | 59.4 | Low | 64.5 | Low | 195 Ų | 195 | 102.4 Ų | 102.4 | 85% | 0.848 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.4 | 2.1 | -176.3 | -76.7 | -169.9 | 175.6 | -175.8 | 0 | 115.8 | L71 | L71-K73 PolarHBondContact O-N 3.4Š|
| 74 | S | 54 | Low | 63.7 | Low | 104 Ų | 104 | 108.6 Ų | 108.6 | 73% | 0.727 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -145 | 2.4 | -173 | 60.9 | 0 | 0 | 0 | 0 | 118.1 | ||
| 75 | T | 51.8 | Low | 63.4 | Low | 78 Ų | 78 | 106.7 Ų | 106.7 | 48% | 0.479 | 59% | 0.59 | S | S | . | * | S | Bend | trans | -137.5 | 138.8 | -174.3 | 55.2 | 0 | 0 | 0 | 0 | 113.8 | ||
| 76 | N | 67.3 | Low | 63 | Low | 119 Ų | 119 | 109.1 Ų | 109.1 | 64% | 0.636 | 60% | 0.595 | S | S | * | * | trans | -52.6 | 144.1 | 177.7 | -76.7 | -36.2 | 0 | 0 | 0 | 112.8 | D78 M79 | N76-D78 PolarHBondContact O-N 3Å; N76-D78 VanDerWaalsContact O-N 3.14Å; N76-M79 PolarHBondContact O-N 3.11Å; N76-M79 VanDerWaalsContact O-N 3.14Å | ||
| 77 | P | 67.9 | Low | 63.1 | Low | 95 Ų | 95 | 107 Ų | 107 | 62% | 0.617 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -58.6 | -28.4 | 179.2 | 24.1 | -33.8 | 0 | 0 | 0 | 113.1 | M79 F80 N81 | P77-M79 VanDerWaalsContact C-N 3.33Å; P77-M79 PolarHBondContact O-N 3.17Å; P77-F80 WeakPolarHBondContact O-CB 3.34Å; P77-F80 PolarHBondContact O-N 2.99Å; P77-F80 VanDerWaalsContact O-N 3.09Å; P77-N81 PolarHBondContact O-N 3.14Å |
| 78 | D | 73.5 | Confident | 63 | Low | 119 Ų | 119 | 108.9 Ų | 108.9 | 64% | 0.636 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65 | -33.3 | 179.3 | -56.6 | -43.7 | 0 | 0 | 0 | 113.2 | N76 F80 N81 A82 | N76-D78 PolarHBondContact O-N 3Å; N76-D78 VanDerWaalsContact O-N 3.14Å; D78-F80 VanDerWaalsContact C-N 3.26Å; D78-F80 PolarHBondContact O-N 2.92Å; D78-N81 PolarHBondContact O-N 3.16Å; D78-A82 WeakPolarHBondContact O-CB 3.45Å; D78-A82 PolarHBondContact O-N 3.12Å |
| 79 | M | 69.6 | Low | 62.9 | Low | 113 Ų | 113 | 113.1 Ų | 113.1 | 56% | 0.557 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66.1 | -31.2 | 174.1 | -78.9 | -162.9 | 73.4 | 0 | 0 | 112 | N76 P77 A82 V83 | N76-M79 PolarHBondContact O-N 3.11Å; N76-M79 VanDerWaalsContact O-N 3.14Å; P77-M79 VanDerWaalsContact C-N 3.33Å; P77-M79 PolarHBondContact O-N 3.17Å; M79-A82 PolarHBondContact O-N 3.44Å; M79-V83 WeakPolarHBondContact O-CB 3.32Å; M79-V83 VanDerWaalsContact O-CG2 3.31Å; M79-V83 WeakPolarHBondContact O-CG2 3.45Å; M79-V83 PolarHBondContact O-N 2.88Å |
| 80 | F | 62.4 | Low | 63.1 | Low | 106 Ų | 106 | 115 Ų | 115 | 47% | 0.465 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -69.6 | -43.8 | 179.9 | -146.2 | -89.9 | 0 | 0 | 0 | 110.9 | L68 P77 D78 W84 | L68-F80 HydrophobicContact CD2-CE1 4.34Å; L68-F80 HydrophobicContact CD2-CZ 3.73Å; L68-F80 HydrophobicContact CG-CZ 4.08Å; P77-F80 WeakPolarHBondContact O-CB 3.34Å; P77-F80 PolarHBondContact O-N 2.99Å; P77-F80 VanDerWaalsContact O-N 3.09Å; D78-F80 VanDerWaalsContact C-N 3.26Å; D78-F80 PolarHBondContact O-N 2.92Å; F80-W84 VanDerWaalsContact O-CB 3.3Å; F80-W84 WeakPolarHBondContact O-CB 3.28Å; F80-W84 PolarHBondContact O-N 2.96Å |
| 81 | N | 70.2 | Confident | 62.9 | Low | 105 Ų | 105 | 115.9 Ų | 115.9 | 56% | 0.561 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64.9 | -38.1 | 172.3 | -85.8 | -29.4 | 0 | 0 | 0 | 112.5 | P77 D78 S85 | P77-N81 PolarHBondContact O-N 3.14Å; D78-N81 PolarHBondContact O-N 3.16Å; N81-S85 WeakPolarHBondContact O-CB 3.3Å; N81-S85 PolarHBondContact O-N 3.04Å; N81-S85 PolarHBondContact O-OG 2.99Å |
| 82 | A | 70.4 | Confident | 63.4 | Low | 60 Ų | 60 | 118 Ų | 118 | 50% | 0.496 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -63.8 | -48.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | D78 M79 S85 F86 | D78-A82 WeakPolarHBondContact O-CB 3.45Å; D78-A82 PolarHBondContact O-N 3.12Å; M79-A82 PolarHBondContact O-N 3.44Å; A82-S85 PolarHBondContact O-N 3.22Å; A82-F86 WeakPolarHBondContact O-CB 3.24Å; A82-F86 PolarHBondContact O-N 3.02Å |
| 83 | V | 71.5 | Confident | 63.7 | Low | 99 Ų | 99 | 114.3 Ų | 114.3 | 60% | 0.6 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.6 | -41.7 | 179.4 | 171.8 | 0 | 0 | 0 | 0 | 111.6 | M79 F86 G87 | M79-V83 WeakPolarHBondContact O-CB 3.32Å; M79-V83 VanDerWaalsContact O-CG2 3.31Å; M79-V83 WeakPolarHBondContact O-CG2 3.45Å; M79-V83 PolarHBondContact O-N 2.88Å; V83-F86 PolarHBondContact O-N 3.25Å; V83-G87 PolarHBondContact O-N 2.84Å |
| 84 | W | 67.5 | Low | 63.6 | Low | 165 Ų | 165 | 110 Ų | 110 | 63% | 0.625 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -67.4 | -40.3 | 178.2 | -157.2 | 59.5 | 0 | 0 | 0 | 111.9 | F80 G87 Y88 | F80-W84 VanDerWaalsContact O-CB 3.3Å; F80-W84 WeakPolarHBondContact O-CB 3.28Å; F80-W84 PolarHBondContact O-N 2.96Å; W84-G87 PolarHBondContact O-N 2.81Å; W84-Y88 HydrophobicContact CZ2-CE2 4.06Å; W84-Y88 PolarHBondContact O-N 3.06Å |
| 85 | S | 70.7 | Confident | 63.9 | Low | 71 Ų | 71 | 111.2 Ų | 111.2 | 50% | 0.497 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -64.3 | -38.7 | 173.2 | -61.7 | 0 | 0 | 0 | 0 | 112.6 | N81 A82 Y88 R89 | N81-S85 WeakPolarHBondContact O-CB 3.3Å; N81-S85 PolarHBondContact O-N 3.04Å; N81-S85 PolarHBondContact O-OG 2.99Å; A82-S85 PolarHBondContact O-N 3.22Å; S85-Y88 PolarHBondContact O-N 3.39Å; S85-R89 VanDerWaalsContact O-CB 3.28Å; S85-R89 WeakPolarHBondContact O-CB 3.43Å; S85-R89 PolarHBondContact O-N 3.23Å |
| 86 | F | 64.6 | Low | 64.4 | Low | 129 Ų | 129 | 111.5 Ų | 111.5 | 57% | 0.566 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -68.2 | -40.1 | 177.7 | -158.7 | -103.3 | 0 | 0 | 0 | 111.9 | A82 V83 R89 K90 | A82-F86 WeakPolarHBondContact O-CB 3.24Å; A82-F86 PolarHBondContact O-N 3.02Å; V83-F86 PolarHBondContact O-N 3.25Å; F86-R89 PolarHBondContact O-N 3.23Å; F86-K90 HydrophobicContact CD1-CD 4.48Å; F86-K90 HydrophobicContact CE1-CD 4.01Å; F86-K90 HydrophobicContact CE1-CG 4.45Å; F86-K90 PolarHBondContact O-N 2.69Å |
| 87 | G | 64.8 | Low | 64 | Low | 46 Ų | 46 | 110.4 Ų | 110.4 | 47% | 0.474 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.3 | -42.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113 | V83 W84 N91 | V83-G87 PolarHBondContact O-N 2.84Å; W84-G87 PolarHBondContact O-N 2.81Å; G87-N91 PolarHBondContact O-N 3.15Å |
| 88 | Y | 57.4 | Low | 63.5 | Low | 162 Ų | 162 | 112 Ų | 112 | 64% | 0.635 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -69.9 | -37.3 | 174.9 | -105.2 | -86.9 | 0 | 0 | 0 | 113.1 | W84 S85 K92 | W84-Y88 HydrophobicContact CZ2-CE2 4.06Å; W84-Y88 PolarHBondContact O-N 3.06Å; S85-Y88 PolarHBondContact O-N 3.39Å; Y88-K92 PolarHBondContact O-N 3.28Å |
| 89 | R | 56.3 | Low | 62.8 | Low | 177 Ų | 177 | 112 Ų | 112 | 67% | 0.668 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -67 | -46.2 | 179.5 | -169 | 177.8 | -80.5 | -149.7 | -0 | 111.6 | S85 F86 N91 K92 E93 | S85-R89 VanDerWaalsContact O-CB 3.28Å; S85-R89 WeakPolarHBondContact O-CB 3.43Å; S85-R89 PolarHBondContact O-N 3.23Å; F86-R89 PolarHBondContact O-N 3.23Å; R89-N91 VanDerWaalsContact C-N 3.35Å; R89-N91 PolarHBondContact O-N 2.95Å; R89-K92 WeakPolarHBondContact O-CB 3.31Å; R89-K92 PolarHBondContact O-N 3.31Å; R89-E93 PolarHBondContact O-N 2.98Å |
| 90 | K | 63 | Low | 62.4 | Low | 113 Ų | 113 | 112.7 Ų | 112.7 | 49% | 0.491 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.1 | -35.8 | 177.1 | -76.8 | -158.5 | 168.6 | -171.1 | 0 | 113.8 | F86 K92 E93 I94 | F86-K90 HydrophobicContact CD1-CD 4.48Å; F86-K90 HydrophobicContact CE1-CD 4.01Å; F86-K90 HydrophobicContact CE1-CG 4.45Å; F86-K90 PolarHBondContact O-N 2.69Å; K90-K92 PolarHBondContact O-N 2.97Å; K90-E93 PolarHBondContact O-N 3.38Å; K90-I94 WeakPolarHBondContact O-CG1 3.45Å; K90-I94 PolarHBondContact O-N 3.28Å |
| 91 | N | 53.3 | Low | 62.2 | Low | 103 Ų | 103 | 114 Ų | 114 | 55% | 0.551 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -72.6 | -16.6 | 176.5 | -154.7 | 4.9 | 0 | 0 | 0 | 112.9 | G87 R89 | G87-N91 PolarHBondContact O-N 3.15Å; R89-N91 VanDerWaalsContact C-N 3.35Å; R89-N91 PolarHBondContact O-N 2.95Å |
| 92 | K | 64.7 | Low | 61.7 | Low | 154 Ų | 154 | 115 Ų | 115 | 67% | 0.67 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -85.2 | -40.3 | 171.3 | -142.1 | 175.6 | -174.3 | -177.4 | 0 | 111.4 | Y88 R89 K90 K95 I96 | Y88-K92 PolarHBondContact O-N 3.28Å; R89-K92 WeakPolarHBondContact O-CB 3.31Å; R89-K92 PolarHBondContact O-N 3.31Å; K90-K92 PolarHBondContact O-N 2.97Å; K92-K95 PolarHBondContact O-N 3.34Å; K92-I96 WeakPolarHBondContact O-CG1 3.46Å; K92-I96 PolarHBondContact O-N 3.45Å; K92-I96 VanDerWaalsContact O-N 3.17Å |
| 93 | E | 57.1 | Low | 61.1 | Low | 88 Ų | 88 | 117.8 Ų | 117.8 | 41% | 0.411 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.3 | -39.8 | 176.8 | -74.3 | 167.4 | 179.1 | 0 | 0 | 113.1 | R89 K90 K95 I96 N97 | R89-E93 PolarHBondContact O-N 2.98Å; K90-E93 PolarHBondContact O-N 3.38Å; E93-K95 VanDerWaalsContact C-N 3.29Å; E93-K95 PolarHBondContact O-N 3.25Å; E93-I96 PolarHBondContact O-N 3.13Å; E93-N97 PolarHBondContact O-N 2.9Å |
| 94 | I | 57.6 | Low | 60.5 | Low | 103 Ų | 103 | 118.8 Ų | 118.8 | 53% | 0.528 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -58.1 | -42.4 | 176.2 | -69.9 | 164.4 | 0 | 0 | 0 | 111.1 | K90 N97 E98 | K90-I94 WeakPolarHBondContact O-CG1 3.45Å; K90-I94 PolarHBondContact O-N 3.28Å; I94-N97 PolarHBondContact O-N 3.19Å; I94-E98 PolarHBondContact O-N 3.19Å |
| 95 | K | 59.9 | Low | 60 | Low | 131 Ų | 131 | 115 Ų | 115 | 57% | 0.57 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -71 | -31.9 | 177.8 | -69.4 | -176.8 | 176.9 | -176.9 | 0 | 113.7 | K92 E93 L99 | K92-K95 PolarHBondContact O-N 3.34Å; E93-K95 VanDerWaalsContact C-N 3.29Å; E93-K95 PolarHBondContact O-N 3.25Å; K95-L99 WeakPolarHBondContact O-CG 3.18Å; K95-L99 PolarHBondContact O-N 3.14Å; K95-L99 VanDerWaalsContact O-N 3.16Å |
| 96 | I | 63.5 | Low | 59.3 | Low | 83 Ų | 83 | 118 Ų | 118 | 43% | 0.426 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -72.1 | -35.7 | 176.4 | -68.7 | 165.4 | 0 | 0 | 0 | 110.6 | K92 E93 L99 K100 | K92-I96 WeakPolarHBondContact O-CG1 3.46Å; K92-I96 PolarHBondContact O-N 3.45Å; K92-I96 VanDerWaalsContact O-N 3.17Å; E93-I96 PolarHBondContact O-N 3.13Å; I96-L99 PolarHBondContact O-N 3.3Å; I96-K100 WeakPolarHBondContact O-CG 3.42Å; I96-K100 PolarHBondContact O-N 3.27Å; I96-K100 VanDerWaalsContact O-N 3.07Å |
| 97 | N | 58.2 | Low | 58.9 | Low | 96 Ų | 96 | 116.6 Ų | 116.6 | 51% | 0.513 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -76.2 | -33.4 | 176.9 | -68.5 | -14.7 | 0 | 0 | 0 | 112.7 | E93 I94 L101 | E93-N97 PolarHBondContact O-N 2.9Å; I94-N97 PolarHBondContact O-N 3.19Å; N97-L101 PolarHBondContact O-N 2.94Å |
| 98 | E | 58 | Low | 58.3 | Low | 128 Ų | 128 | 121.2 Ų | 121.2 | 60% | 0.598 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -60.9 | -43.4 | 167.6 | -95.3 | -174.4 | 139.5 | 0 | 0 | 111.9 | I94 L101 L102 | I94-E98 PolarHBondContact O-N 3.19Å; E98-L101 PolarHBondContact O-N 3.04Å; E98-L102 VanDerWaalsContact O-CD1 3.29Å; E98-L102 WeakPolarHBondContact O-CD1 3.44Å |
| 99 | L | 58.7 | Low | 58.2 | Low | 119 Ų | 119 | 121.3 Ų | 121.3 | 62% | 0.623 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.3 | -42.5 | 178.8 | -80.5 | 163.2 | 0 | 0 | 0 | 112.7 | K95 I96 L101 L102 D103 | K95-L99 WeakPolarHBondContact O-CG 3.18Å; K95-L99 PolarHBondContact O-N 3.14Å; K95-L99 VanDerWaalsContact O-N 3.16Å; I96-L99 PolarHBondContact O-N 3.3Å; L99-L101 VanDerWaalsContact C-N 3.33Å; L99-L101 PolarHBondContact O-N 2.97Å; L99-L102 PolarHBondContact O-N 2.97Å; L99-D103 PolarHBondContact O-N 2.92Å |
| 100 | K | 60.6 | Low | 57.8 | Low | 129 Ų | 129 | 122.1 Ų | 122.1 | 56% | 0.561 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -64 | -34.3 | 177.6 | -76.1 | -177 | 174.5 | -174.8 | 0 | 113.6 | I96 L102 D103 D104 | I96-K100 WeakPolarHBondContact O-CG 3.42Å; I96-K100 PolarHBondContact O-N 3.27Å; I96-K100 VanDerWaalsContact O-N 3.07Å; K100-L102 PolarHBondContact O-N 3.07Å; K100-D103 PolarHBondContact O-N 3.3Å; K100-D104 PolarHBondContact O-N 3.1Å |
| 101 | L | 58.9 | Low | 56.9 | Low | 132 Ų | 132 | 127.6 Ų | 127.6 | 69% | 0.691 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -67.7 | -19.8 | 176.5 | -86 | 163.7 | 0 | 0 | 0 | 113.8 | N97 E98 L99 | N97-L101 PolarHBondContact O-N 2.94Å; E98-L101 PolarHBondContact O-N 3.04Å; L99-L101 VanDerWaalsContact C-N 3.33Å; L99-L101 PolarHBondContact O-N 2.97Å |
| 102 | L | 59 | Low | 56.7 | Low | 127 Ų | 127 | 133.7 Ų | 133.7 | 67% | 0.665 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -83.9 | -32.4 | 172.3 | -88.4 | 96.5 | 0 | 0 | 0 | 113.4 | E98 L99 K100 | E98-L102 VanDerWaalsContact O-CD1 3.29Å; E98-L102 WeakPolarHBondContact O-CD1 3.44Å; L99-L102 PolarHBondContact O-N 2.97Å; K100-L102 PolarHBondContact O-N 3.07Å |
| 103 | D | 58.2 | Low | 55.7 | Low | 118 Ų | 118 | 135.1 Ų | 135.1 | 63% | 0.631 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -72.8 | -41.1 | 179.1 | -74.1 | -31.1 | 0 | 0 | 0 | 112 | L99 K100 A105 N106 | L99-D103 PolarHBondContact O-N 2.92Å; K100-D103 PolarHBondContact O-N 3.3Å; D103-A105 VanDerWaalsContact C-N 3.26Å; D103-A105 PolarHBondContact O-N 3.1Å; D103-N106 PolarHBondContact O-N 3.28Å; D103-N106 VanDerWaalsContact O-N 3.17Å |
| 104 | D | 58.2 | Low | 55.2 | Low | 121 Ų | 121 | 136.6 Ų | 136.6 | 65% | 0.647 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -66.3 | -27.7 | 178.2 | -75 | -27.9 | 0 | 0 | 0 | 112.9 | K100 N106 S107 | K100-D104 PolarHBondContact O-N 3.1Å; D104-N106 PolarHBondContact O-N 3.12Å; D104-S107 PolarHBondContact O-OG 2.97Å |
| 105 | A | 58.4 | Low | 55 | Low | 86 Ų | 86 | 140.6 Ų | 140.6 | 71% | 0.711 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -15.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D103 | D103-A105 VanDerWaalsContact C-N 3.26Å; D103-A105 PolarHBondContact O-N 3.1Å |
| 106 | N | 56.1 | Low | 54.4 | Low | 134 Ų | 134 | 142.9 Ų | 142.9 | 72% | 0.717 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | -7.3 | -172.1 | -151.4 | 14 | 0 | 0 | 0 | 114 | D103 D104 | D103-N106 PolarHBondContact O-N 3.28Å; D103-N106 VanDerWaalsContact O-N 3.17Å; D104-N106 PolarHBondContact O-N 3.12Å |
| 107 | S | 54.9 | Low | 53.9 | Low | 98 Ų | 98 | 147 Ų | 147 | 69% | 0.685 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -87.2 | -14.7 | -173.9 | 69.5 | 0 | 0 | 0 | 0 | 115.3 | D104 K109 | D104-S107 PolarHBondContact O-OG 2.97Å; S107-K109 PolarHBondContact O-N 2.93Å |
| 108 | N | 52.7 | Low | 53.3 | Low | 144 Ų | 144 | 153.2 Ų | 153.2 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | trans | -101.9 | 46.3 | -167.9 | -156.1 | 1.4 | 0 | 0 | 0 | 115 | ||||
| 109 | K | 54.4 | Low | 52.8 | Low | 164 Ų | 164 | 151.9 Ų | 151.9 | 71% | 0.713 | 75% | 0.749 | S | S | * | * | trans | -116.1 | 81.5 | 170.6 | -77.1 | -175.5 | 179.3 | 173.9 | 0 | 111.9 | S107 W111 | S107-K109 PolarHBondContact O-N 2.93Å; K109-W111 VanDerWaalsContact O-CD1 3.28Å; K109-W111 PolarHBondContact O-N 3.23Å | ||
| 110 | K | 48.3 | Very low | 52.6 | Low | 194 Ų | 194 | 154.9 Ų | 154.9 | 84% | 0.843 | 76% | 0.76 | S | S | * | * | trans | -71.8 | 81.8 | 177.2 | -172.5 | 173.7 | -175.1 | 169.1 | 0 | 111.9 | R112 | K110-R112 PolarHBondContact O-N 3.33Š| ||
| 111 | W | 44.8 | Very low | 52 | Low | 228 Ų | 228 | 157.5 Ų | 157.5 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 120.5 | 176.6 | -74.4 | 96.5 | 0 | 0 | 0 | 112.3 | K109 | K109-W111 VanDerWaalsContact O-CD1 3.28Å; K109-W111 PolarHBondContact O-N 3.23Å |
| 112 | R | 47.9 | Very low | 51.4 | Low | 230 Ų | 230 | 157.4 Ų | 157.4 | 87% | 0.868 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 131 | 167.1 | -71.5 | -178.2 | 178 | -119 | 6.5 | 109.6 | K110 | K110-R112 PolarHBondContact O-N 3.33Š|
| 113 | Q | 44.1 | Very low | 50.7 | Low | 185 Ų | 185 | 156.4 Ų | 156.4 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 146.4 | 170.2 | -72.9 | -83.6 | -28.5 | 0 | 0 | 111.4 | ||
| 114 | P | 47.5 | Very low | 50.4 | Low | 118 Ų | 118 | 157.2 Ų | 157.2 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | trans | -135 | 125.5 | 135.6 | 33.5 | -19.7 | 0 | 0 | 0 | 114.9 | ||||
| 115 | K | 52.3 | Low | 49.6 | Very low | 187 Ų | 187 | 156 Ų | 156 | 81% | 0.813 | 79% | 0.793 | S | S | * | * | trans | 6.7 | 123.7 | 150.8 | -61.1 | 177.4 | 177.8 | -179.9 | 0 | 120.5 | ||||
| 116 | Q | 48.7 | Very low | 49 | Very low | 179 Ų | 179 | 156.8 Ų | 156.8 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | trans | 42.2 | 121.6 | 130.9 | -66.2 | -178.4 | -41.5 | 0 | 0 | 120.1 | ||||
| 117 | N | 51.6 | Low | 48.7 | Very low | 170 Ų | 170 | 157.3 Ų | 157.3 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | -153.2 | 172.8 | 102.1 | -116.4 | -28.1 | 0 | 0 | 0 | 114.2 | |||||
| 118 | R | 45.6 | Very low | 48.1 | Very low | 227 Ų | 227 | 159.4 Ų | 159.4 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | trans | -122.4 | 135.6 | -149.8 | 178.3 | -168.6 | -166 | -176.2 | 4.9 | 111.9 | ||||
| 119 | S | 48.3 | Very low | 47.5 | Very low | 100 Ų | 100 | 157.8 Ų | 157.8 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | 159.6 | 158 | 125.9 | 56.4 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 120 | Q | 55 | Low | 46.7 | Very low | 181 Ų | 181 | 155.6 Ų | 155.6 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | 69.5 | 101.4 | 169.6 | -44 | -151.9 | 36.3 | 0 | 0 | 115.6 | ||||
| 121 | Q | 46.3 | Very low | 46.4 | Very low | 185 Ų | 185 | 155.1 Ų | 155.1 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | cis | 89.9 | 77.7 | 25.6 | -158.7 | -174.3 | 16 | 0 | 0 | 116 | ||||
| 122 | T | 48.3 | Very low | 46.1 | Very low | 130 Ų | 130 | 147.7 Ų | 147.7 | 80% | 0.798 | 79% | 0.785 | S | S | * | * | trans | -162.8 | 111.4 | 144 | 46.3 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 123 | S | 43.7 | Very low | 45.8 | Very low | 106 Ų | 106 | 144 Ų | 144 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | 81.2 | 70.1 | 52.4 | 78.9 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 124 | V | 51.2 | Low | 45.7 | Very low | 134 Ų | 134 | 144.7 Ų | 144.7 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | trans | -154.5 | 87.3 | 140.6 | -150.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 125 | S | 42.4 | Very low | 45.3 | Very low | 97 Ų | 97 | 148.9 Ų | 148.9 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | 46.6 | 107.7 | 89.5 | 75 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 126 | S | 45.7 | Very low | 44.6 | Very low | 101 Ų | 101 | 147.6 Ų | 147.6 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | 136.4 | 141.1 | 118.1 | -68.1 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 127 | I | 48.5 | Very low | 44.1 | Very low | 146 Ų | 146 | 146.3 Ų | 146.3 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | trans | 87 | 90.5 | 153.2 | -64.1 | 148.3 | 0 | 0 | 0 | 118 | ||||
| 128 | L | 42.4 | Very low | 43.5 | Very low | 141 Ų | 141 | 146.8 Ų | 146.8 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | 61.2 | 104.3 | 118 | -64.6 | 157 | 0 | 0 | 0 | 117.9 | |||||
| 129 | T | 40.9 | Very low | 43.7 | Very low | 111 Ų | 111 | 142.1 Ų | 142.1 | 68% | 0.681 | 79% | 0.786 | S | S | * | * | 77.1 | 133.4 | 77.3 | 59.4 | 0 | 0 | 0 | 0 | 116 | |||||
| 130 | C | 37.3 | Very low | 44.1 | Very low | 117 Ų | 117 | 142.2 Ų | 142.2 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | 67.6 | 154 | 167.4 | -57.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 131 | E | 42.8 | Very low | 43.5 | Very low | 185 Ų | 185 | 141.2 Ų | 141.2 | 86% | 0.864 | 79% | 0.785 | S | S | * | * | cis | -148.1 | 159.8 | 7.4 | -146.9 | 169.4 | 142.9 | 0 | 0 | 111.3 | ||||
| 132 | A | 37.6 | Very low | 43.4 | Very low | 72 Ų | 72 | 140.5 Ų | 140.5 | 60% | 0.595 | 78% | 0.779 | S | S | * | * | trans | -87.8 | 170.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 133 | N | 42.6 | Very low | 43.3 | Very low | 152 Ų | 152 | 139.2 Ų | 139.2 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | trans | 64.4 | 94.9 | 159.6 | -57 | -35.2 | 0 | 0 | 0 | 118.4 | ||||
| 134 | K | 41.8 | Very low | 43.7 | Very low | 199 Ų | 199 | 140.5 Ų | 140.5 | 87% | 0.865 | 77% | 0.772 | S | S | * | * | 176.1 | 120.3 | 128.5 | -97.3 | 152.2 | -175.5 | 170.9 | 0 | 110.4 | |||||
| 135 | F | 39.3 | Very low | 43.4 | Very low | 207 Ų | 207 | 139.6 Ų | 139.6 | 91% | 0.908 | 77% | 0.771 | S | S | * | * | trans | -176.9 | 65.3 | 136.6 | -105.5 | -68.7 | 0 | 0 | 0 | 110 | ||||
| 136 | L | 37 | Very low | 43.6 | Very low | 159 Ų | 159 | 143.1 Ų | 143.1 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | trans | -85.3 | 160.6 | 150.8 | -87.8 | 166.6 | 0 | 0 | 0 | 108.3 | ||||
| 137 | L | 38.2 | Very low | 43.5 | Very low | 153 Ų | 153 | 147.6 Ų | 147.6 | 80% | 0.801 | 78% | 0.783 | S | S | * | * | trans | 76.1 | 87.6 | 174.1 | -47.7 | 177 | 0 | 0 | 0 | 116.1 | ||||
| 138 | L | 39.6 | Very low | 43.5 | Very low | 180 Ų | 180 | 150.2 Ų | 150.2 | 94% | 0.942 | 79% | 0.79 | S | S | * | * | trans | -154.1 | 90.1 | 134.7 | -135.1 | 82.4 | 0 | 0 | 0 | 109.9 | ||||
| 139 | V | 48.7 | Very low | 43.9 | Very low | 128 Ų | 128 | 151.9 Ų | 151.9 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | -126.8 | 117.8 | 167.6 | 179.5 | 0 | 0 | 0 | 0 | 107.3 | N141 | V139-N141 PolarHBondContact O-N 2.79Š| ||
| 140 | P | 56.3 | Low | 44.3 | Very low | 103 Ų | 103 | 150.6 Ų | 150.6 | 67% | 0.669 | 80% | 0.797 | S | S | * | * | trans | -74.8 | 117.7 | 178.6 | 29.1 | -32.4 | 0 | 0 | 0 | 110.3 | F142 | P140-F142 VanDerWaalsContact C-N 3.33Å; P140-F142 HydrophobicContact CB-CD2 4.45Å; P140-F142 PolarHBondContact O-N 3.39Å | ||
| 141 | N | 42.7 | Very low | 44.7 | Very low | 159 Ų | 159 | 154.3 Ų | 154.3 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | trans | -69.5 | 87.3 | 169.7 | -77.6 | -35.9 | 0 | 0 | 0 | 110.1 | V139 S143 | V139-N141 PolarHBondContact O-N 2.79Å; N141-S143 PolarHBondContact O-N 3.44Å | ||
| 142 | F | 45 | Very low | 45 | Very low | 171 Ų | 171 | 157.3 Ų | 157.3 | 75% | 0.75 | 81% | 0.806 | S | S | * | * | trans | -81.7 | 94.6 | 170.5 | -111.1 | -88.2 | 0 | 0 | 0 | 110.4 | P140 I144 | P140-F142 VanDerWaalsContact C-N 3.33Å; P140-F142 HydrophobicContact CB-CD2 4.45Å; P140-F142 PolarHBondContact O-N 3.39Å; F142-I144 HydrophobicContact CB-CD1 4.25Å; F142-I144 HydrophobicContact CB-CG1 4.34Å; F142-I144 HydrophobicContact CD1-CD1 4.36Å; F142-I144 HydrophobicContact CD1-CG1 4.19Å; F142-I144 PolarHBondContact O-N 3.14Å | ||
| 143 | S | 45.5 | Very low | 45.5 | Very low | 102 Ų | 102 | 158.3 Ų | 158.3 | 71% | 0.713 | 81% | 0.814 | S | S | * | * | trans | -67.4 | 108.6 | 166.1 | -175.6 | 0 | 0 | 0 | 0 | 109.4 | N141 | N141-S143 PolarHBondContact O-N 3.44Š| ||
| 144 | I | 51.6 | Low | 45.9 | Very low | 134 Ų | 134 | 159.5 Ų | 159.5 | 69% | 0.687 | 82% | 0.815 | S | S | * | * | trans | -107.1 | 2.4 | -179 | -71.7 | 172.3 | 0 | 0 | 0 | 111.4 | F142 | F142-I144 HydrophobicContact CB-CD1 4.25Å; F142-I144 HydrophobicContact CB-CG1 4.34Å; F142-I144 HydrophobicContact CD1-CD1 4.36Å; F142-I144 HydrophobicContact CD1-CG1 4.19Å; F142-I144 PolarHBondContact O-N 3.14Å | ||
| 145 | C | 44.8 | Very low | 46.6 | Very low | 115 Ų | 115 | 160 Ų | 160 | 78% | 0.777 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -85.2 | -12.2 | -167.7 | -70.6 | 0 | 0 | 0 | 0 | 116.7 | ||
| 146 | E | 48.4 | Very low | 46.9 | Very low | 170 Ų | 170 | 160.1 Ų | 160.1 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -104.5 | -18 | -174.1 | -63.9 | -149.2 | 133.1 | 0 | 0 | 115.7 | F148 | E146-F148 PolarHBondContact O-N 2.87Š|
| 147 | F | 43.3 | Very low | 47.5 | Very low | 195 Ų | 195 | 157 Ų | 157 | 86% | 0.855 | 81% | 0.814 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -3.5 | -169.1 | -148.8 | -98.3 | 0 | 0 | 0 | 115.6 | ||
| 148 | F | 48 | Very low | 48 | Very low | 201 Ų | 201 | 158.2 Ų | 158.2 | 88% | 0.882 | 81% | 0.813 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.9 | 3.9 | -173.3 | -129.8 | -92 | 0 | 0 | 0 | 115.5 | E146 | E146-F148 PolarHBondContact O-N 2.87Š|
| 149 | M | 51.3 | Low | 48.7 | Very low | 176 Ų | 176 | 156.7 Ų | 156.7 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -99 | -13.3 | 179.2 | -74 | -75.9 | -152.4 | 0 | 0 | 114 | ||
| 150 | A | 47.6 | Very low | 48.7 | Very low | 84 Ų | 84 | 160.8 Ų | 160.8 | 69% | 0.694 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -89.9 | -20.5 | -167.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | R152 | A150-R152 PolarHBondContact O-N 3.23Š|
| 151 | E | 47.1 | Very low | 48.3 | Very low | 196 Ų | 196 | 163.9 Ų | 163.9 | 92% | 0.916 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | 27.4 | -163.7 | -147.6 | -176.6 | 162.3 | 0 | 0 | 115.3 | ||
| 152 | R | 48.4 | Very low | 48.6 | Very low | 248 Ų | 248 | 166.7 Ų | 166.7 | 94% | 0.936 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.6 | 15.9 | -175.9 | -138.3 | 175.8 | -169.1 | 162.5 | 4.3 | 115.5 | A150 | A150-R152 PolarHBondContact O-N 3.23Š|
| 153 | A | 47.3 | Very low | 48.6 | Very low | 93 Ų | 93 | 163.7 Ų | 163.7 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | -105.5 | -0.7 | -167.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 154 | E | 52.2 | Low | 49 | Very low | 176 Ų | 176 | 164.3 Ų | 164.3 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | trans | -130.6 | 108.8 | -177 | -81.3 | -172.4 | -172.5 | 0 | 0 | 115 | ||||
| 155 | K | 55.9 | Low | 48.7 | Very low | 210 Ų | 210 | 162.9 Ų | 162.9 | 91% | 0.913 | 81% | 0.806 | S | S | * | * | trans | 166.8 | 83.3 | 138.4 | -90.3 | 153.8 | -169.9 | 170.1 | 0 | 110.4 | ||||
| 156 | K | 46.6 | Very low | 48.7 | Very low | 210 Ų | 210 | 164.5 Ų | 164.5 | 91% | 0.913 | 81% | 0.806 | S | S | * | * | trans | -89.5 | 158.7 | 164.3 | -71.4 | 177.8 | 179.4 | 172.2 | 0 | 109.9 | ||||
| 157 | A | 49.7 | Very low | 48.6 | Very low | 93 Ų | 93 | 161.1 Ų | 161.1 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | 76.2 | 95.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 158 | F | 48.9 | Very low | 48.6 | Very low | 179 Ų | 179 | 156.8 Ų | 156.8 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | -159.7 | 101 | 116.9 | -128.8 | -112.5 | 0 | 0 | 0 | 108.7 | |||||
| 159 | K | 53.3 | Low | 48.6 | Very low | 147 Ų | 147 | 152.7 Ų | 152.7 | 64% | 0.639 | 79% | 0.791 | S | S | * | * | 80 | 104.6 | 98.5 | -91.3 | -179.8 | 179.3 | 170 | 0 | 115.8 | |||||
| 160 | R | 48 | Very low | 48.6 | Very low | 215 Ų | 215 | 148.6 Ų | 148.6 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | trans | 47.2 | 125 | 134.6 | -53.3 | 176 | 174.7 | 175.8 | -4 | 117.4 | ||||
| 161 | F | 48.4 | Very low | 48.5 | Very low | 167 Ų | 167 | 149.1 Ų | 149.1 | 73% | 0.732 | 78% | 0.779 | S | S | * | * | -164.9 | 149.9 | 73.2 | -129.4 | -97.1 | 0 | 0 | 0 | 115 | |||||
| 162 | R | 48.5 | Very low | 48.6 | Very low | 219 Ų | 219 | 146.6 Ų | 146.6 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | trans | 56.3 | 100.8 | 158.9 | -90.1 | 173.8 | -176.3 | 163 | -0.7 | 122.5 | ||||
| 163 | S | 45.1 | Very low | 48.5 | Very low | 107 Ų | 107 | 142.5 Ų | 142.5 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | -77.3 | -163.3 | 148.6 | -3.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 164 | P | 54 | Low | 48.9 | Very low | 115 Ų | 115 | 141.7 Ų | 141.7 | 75% | 0.747 | 77% | 0.768 | S | S | * | * | cis | -139 | -155.3 | -41.7 | 39.5 | -20.4 | 0 | 0 | 0 | 112.5 | ||||
| 165 | S | 46.2 | Very low | 48.7 | Very low | 104 Ų | 104 | 140.4 Ų | 140.4 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | 101.7 | 140.5 | 160.7 | 76.6 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 166 | L | 44.4 | Very low | 48.6 | Very low | 150 Ų | 150 | 137 Ų | 137 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | cis | -162.4 | 150.9 | -9.2 | -115 | 170.1 | 0 | 0 | 0 | 109.3 | ||||
| 167 | S | 45.9 | Very low | 49.2 | Very low | 98 Ų | 98 | 132.7 Ų | 132.7 | 69% | 0.685 | 75% | 0.746 | S | S | * | * | trans | 39.3 | 151.5 | 145.1 | 63.6 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 168 | S | 43.7 | Very low | 49.4 | Very low | 105 Ų | 105 | 133.9 Ų | 133.9 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | cis | 173.8 | 160.5 | -9.5 | 50.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 169 | S | 49 | Very low | 49.9 | Very low | 114 Ų | 114 | 135 Ų | 135 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | trans | 69.1 | 155.6 | 163.3 | -126.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 170 | S | 50.6 | Low | 50.4 | Low | 91 Ų | 91 | 137.5 Ų | 137.5 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | cis | -166.5 | 169 | -35.1 | 49.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 171 | S | 45.6 | Very low | 50.9 | Low | 95 Ų | 95 | 133.3 Ų | 133.3 | 66% | 0.664 | 76% | 0.761 | S | S | * | * | trans | 61 | 114 | 146.4 | 53.8 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 172 | D | 48.3 | Very low | 51.7 | Low | 143 Ų | 143 | 131.1 Ų | 131.1 | 77% | 0.765 | 77% | 0.767 | S | S | * | * | 88.4 | 127.6 | 123.7 | -84.4 | -28.7 | 0 | 0 | 0 | 125.3 | |||||
| 173 | L | 47.9 | Very low | 52 | Low | 162 Ų | 162 | 125.3 Ų | 125.3 | 85% | 0.848 | 77% | 0.766 | S | S | * | * | trans | 71.5 | 138.4 | 140.3 | -61.7 | 172.2 | 0 | 0 | 0 | 122.8 | ||||
| 174 | G | 53.8 | Low | 52.8 | Low | 76 Ų | 76 | 131.7 Ų | 131.7 | 78% | 0.784 | 77% | 0.773 | S | S | * | * | trans | 89.2 | 151.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 175 | D | 49.6 | Very low | 53.2 | Low | 149 Ų | 149 | 132.3 Ų | 132.3 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | cis | -161.5 | 164 | -19.4 | -165.3 | 21.8 | 0 | 0 | 0 | 109.6 | ||||
| 176 | E | 53.7 | Low | 53.3 | Low | 139 Ų | 139 | 133.9 Ų | 133.9 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | trans | 10.3 | 121.9 | 158.6 | -78.4 | -68.6 | 133.2 | 0 | 0 | 121.3 | ||||
| 177 | T | 59.5 | Low | 54.1 | Low | 119 Ų | 119 | 138.2 Ų | 138.2 | 73% | 0.73 | 78% | 0.784 | S | S | * | * | 159.3 | 141.5 | 107.3 | 45.4 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 178 | P | 53.6 | Low | 54.2 | Low | 118 Ų | 118 | 140.3 Ų | 140.3 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | trans | -97.2 | 135.2 | 176.8 | 35.2 | -31.7 | 0 | 0 | 0 | 113.6 | ||||
| 179 | K | 58.8 | Low | 54.5 | Low | 201 Ų | 201 | 138.7 Ų | 138.7 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | trans | -128.2 | 103.3 | 170.4 | -83.9 | 179.9 | 179.5 | 167.4 | 0 | 114.2 | ||||
| 180 | K | 64.8 | Low | 54.8 | Low | 200 Ų | 200 | 144.6 Ų | 144.6 | 87% | 0.87 | 79% | 0.792 | S | S | * | * | trans | 48.7 | 126.8 | 135.2 | -141 | 170 | -172 | 175.4 | 0 | 119.8 | ||||
| 181 | P | 57.2 | Low | 54.9 | Low | 127 Ų | 127 | 148.7 Ų | 148.7 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 147.8 | -179.9 | 33 | -35.6 | 0 | 0 | 0 | 113.4 | ||
| 182 | S | 65.7 | Low | 55.4 | Low | 122 Ų | 122 | 153.5 Ų | 153.5 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 128.6 | 175.8 | -179.7 | 0 | 0 | 0 | 0 | 111.7 | ||
| 183 | A | 55.1 | Low | 55.7 | Low | 96 Ų | 96 | 154.3 Ų | 154.3 | 79% | 0.793 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 146.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 184 | R | 60.8 | Low | 56.5 | Low | 241 Ų | 241 | 156.2 Ų | 156.2 | 91% | 0.909 | 81% | 0.808 | S | S | * | * | trans | -120.5 | 142.3 | 166.6 | -86.4 | -170.6 | 168.9 | -153.8 | -2.4 | 111.3 | ||||
| 185 | P | 63.5 | Low | 56.8 | Low | 128 Ų | 128 | 161.8 Ų | 161.8 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | trans | -84 | 151.7 | -164.2 | 32.9 | -36.7 | 0 | 0 | 0 | 114.2 | ||||
| 186 | N | 48.4 | Very low | 57.3 | Low | 137 Ų | 137 | 166.2 Ų | 166.2 | 73% | 0.733 | 82% | 0.816 | S | S | * | * | trans | -68.9 | 137.1 | 170.7 | -174.2 | 6.6 | 0 | 0 | 0 | 111 | ||||
| 187 | R | 60 | Low | 57.2 | Low | 241 Ų | 241 | 167.8 Ų | 167.8 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | trans | -120.9 | 79.7 | 179.1 | -162.4 | 179 | -168.8 | 179.8 | 5 | 111.1 | ||||
| 188 | N | 48 | Very low | 57 | Low | 142 Ų | 142 | 167.1 Ų | 167.1 | 76% | 0.759 | 83% | 0.83 | S | S | * | * | trans | -71.3 | 148.4 | 166.9 | -76.5 | -17.5 | 0 | 0 | 0 | 111 | ||||
| 189 | G | 50.1 | Low | 57.1 | Low | 71 Ų | 71 | 170.3 Ų | 170.3 | 73% | 0.732 | 83% | 0.832 | S | S | * | * | trans | 123.5 | 100.6 | 157.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 190 | R | 55.9 | Low | 56.7 | Low | 238 Ų | 238 | 168.5 Ų | 168.5 | 90% | 0.898 | 83% | 0.831 | S | S | * | * | -167 | 109.6 | 127.5 | -105.4 | 166.5 | -171 | -145.5 | -0.9 | 110.7 | |||||
| 191 | K | 52.2 | Low | 55.9 | Low | 178 Ų | 178 | 162.8 Ų | 162.8 | 77% | 0.774 | 82% | 0.821 | S | S | * | * | trans | -65.8 | 146.6 | 158 | -79.8 | -177.1 | 169.7 | -170.5 | 0 | 108.9 | ||||
| 192 | F | 57.5 | Low | 55.5 | Low | 195 Ų | 195 | 165.3 Ų | 165.3 | 86% | 0.855 | 82% | 0.822 | S | S | * | * | trans | -147.9 | 111.9 | 149.2 | -112.6 | -80.3 | 0 | 0 | 0 | 109.1 | ||||
| 193 | E | 54 | Low | 54.7 | Low | 161 Ų | 161 | 164.5 Ų | 164.5 | 75% | 0.752 | 82% | 0.816 | S | S | * | * | trans | -90.1 | 129.7 | 169.1 | -72.3 | 165 | 90.8 | 0 | 0 | 109.1 | ||||
| 194 | K | 63.3 | Low | 54.5 | Low | 201 Ų | 201 | 166.5 Ų | 166.5 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | trans | -156.1 | 87.3 | 153.1 | -144.9 | 164.8 | -174 | 173.8 | 0 | 114.3 | ||||
| 195 | K | 61.7 | Low | 53.8 | Low | 193 Ų | 193 | 162.7 Ų | 162.7 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | 21.6 | 112 | 125.8 | -171.8 | 176.6 | -171.7 | 171.9 | 0 | 117.2 | |||||
| 196 | R | 60.5 | Low | 53.2 | Low | 242 Ų | 242 | 163.3 Ų | 163.3 | 91% | 0.913 | 82% | 0.818 | S | S | * | * | -173.1 | 129.1 | 120.6 | -106.1 | 173.4 | 169.6 | 179.3 | -4.9 | 112.6 | |||||
| 197 | E | 49.8 | Very low | 53 | Low | 172 Ų | 172 | 160.9 Ų | 160.9 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -83.9 | 153.6 | 163.4 | -63.4 | 177.4 | 106.3 | 0 | 0 | 110.4 | ||||
| 198 | A | 56.5 | Low | 52.4 | Low | 105 Ų | 105 | 157.8 Ų | 157.8 | 87% | 0.868 | 82% | 0.818 | S | S | * | * | trans | -150.3 | 131.2 | 152.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 199 | K | 54.3 | Low | 52.4 | Low | 185 Ų | 185 | 155.8 Ų | 155.8 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -109.3 | 130.8 | 176 | -63.6 | 173.2 | -179.5 | 173 | 0 | 109 | ||||
| 200 | L | 51.8 | Low | 52.3 | Low | 164 Ų | 164 | 161.3 Ų | 161.3 | 86% | 0.859 | 83% | 0.828 | S | S | * | * | trans | -168.5 | 115.3 | 156.1 | -133.9 | 63.9 | 0 | 0 | 0 | 105.1 | ||||
| 201 | A | 47.1 | Very low | 52.2 | Low | 80 Ų | 80 | 156 Ų | 156 | 66% | 0.661 | 83% | 0.827 | S | S | * | * | cis | 78.8 | 135.5 | 45.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 202 | Q | 49.1 | Very low | 51.9 | Low | 180 Ų | 180 | 157.3 Ų | 157.3 | 84% | 0.841 | 83% | 0.827 | S | S | * | * | trans | 72.1 | 120.6 | -177 | -59.4 | 165.9 | -17.2 | 0 | 0 | 114.5 | ||||
| 203 | S | 49 | Very low | 51.4 | Low | 105 Ų | 105 | 154 Ų | 154 | 73% | 0.734 | 82% | 0.819 | S | S | * | * | cis | 75.7 | 103.3 | 27.2 | 87.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 204 | T | 50.3 | Low | 51.1 | Low | 138 Ų | 138 | 153.7 Ų | 153.7 | 85% | 0.847 | 82% | 0.822 | S | S | * | * | trans | -169.7 | 126.6 | 144.3 | 30.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 205 | D | 45.8 | Very low | 50.3 | Low | 160 Ų | 160 | 149.8 Ų | 149.8 | 86% | 0.856 | 82% | 0.82 | S | S | * | * | trans | -71.3 | 152.5 | 162.3 | -57.6 | -80.4 | 0 | 0 | 0 | 110.8 | ||||
| 206 | T | 52.2 | Low | 49.8 | Very low | 142 Ų | 142 | 145.7 Ų | 145.7 | 87% | 0.871 | 82% | 0.815 | S | S | * | * | trans | -157 | 136.5 | 153.7 | -14.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 207 | A | 43.1 | Very low | 49.2 | Very low | 86 Ų | 86 | 141.5 Ų | 141.5 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | trans | -98.5 | -176.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 208 | L | 47.5 | Very low | 49.4 | Very low | 175 Ų | 175 | 140.8 Ų | 140.8 | 92% | 0.916 | 80% | 0.8 | S | S | * | * | trans | 71.6 | 113.8 | 163.8 | -63.3 | 161 | 0 | 0 | 0 | 117.6 | ||||
| 209 | A | 48.3 | Very low | 49 | Very low | 100 Ų | 100 | 143.4 Ų | 143.4 | 83% | 0.826 | 80% | 0.799 | S | S | * | * | -168.6 | 126.3 | 112.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 210 | E | 47.8 | Very low | 48.5 | Very low | 188 Ų | 188 | 138.8 Ų | 138.8 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | trans | -75.1 | 151.7 | 164.3 | -61 | 171.2 | 108.8 | 0 | 0 | 110.1 | ||||
| 211 | S | 53.9 | Low | 48.5 | Very low | 127 Ų | 127 | 138.9 Ų | 138.9 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | trans | -151.2 | 152.4 | 153 | -168.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 212 | R | 47.3 | Very low | 48.4 | Very low | 205 Ų | 205 | 143.6 Ų | 143.6 | 77% | 0.774 | 80% | 0.804 | S | S | * | * | trans | -138.4 | 148.5 | -154.8 | -120.2 | -178.1 | 166 | 160.1 | -4.3 | 110.7 | ||||
| 213 | N | 46.9 | Very low | 48.6 | Very low | 126 Ų | 126 | 140.6 Ų | 140.6 | 67% | 0.674 | 80% | 0.803 | S | S | * | * | trans | 79.9 | 158.9 | 145.7 | -58.4 | -11.1 | 0 | 0 | 0 | 122 | ||||
| 214 | N | 47.1 | Very low | 48.5 | Very low | 154 Ų | 154 | 141.1 Ų | 141.1 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | trans | 82.9 | 118.5 | 165.6 | -54.8 | -17.1 | 0 | 0 | 0 | 116.4 | ||||
| 215 | S | 46.7 | Very low | 48.4 | Very low | 118 Ų | 118 | 140.2 Ų | 140.2 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | cis | 92 | 105.2 | 23.2 | -165 | 0 | 0 | 0 | 0 | 116 | ||||
| 216 | S | 50 | Low | 48.2 | Very low | 107 Ų | 107 | 138.4 Ų | 138.4 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | trans | -172.4 | 125.7 | 153.2 | 45.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 217 | E | 48.1 | Very low | 48.3 | Very low | 155 Ų | 155 | 135.1 Ų | 135.1 | 72% | 0.724 | 80% | 0.797 | S | S | * | * | 63.4 | 138.7 | 84.6 | -99.8 | -159.2 | 131.3 | 0 | 0 | 113.5 | |||||
| 218 | K | 54.4 | Low | 48.4 | Very low | 156 Ų | 156 | 137.4 Ų | 137.4 | 68% | 0.678 | 80% | 0.803 | S | S | * | * | cis | -173.4 | 174.5 | 10.4 | -164.4 | -173.8 | -167.3 | 127.2 | 0 | 110.4 | ||||
| 219 | L | 49.3 | Very low | 48.7 | Very low | 160 Ų | 160 | 134.2 Ų | 134.2 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | trans | 97.8 | 140.4 | 155 | -58.5 | 174.6 | 0 | 0 | 0 | 119.7 | ||||
| 220 | A | 42.1 | Very low | 48.6 | Very low | 88 Ų | 88 | 139.6 Ų | 139.6 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -144.3 | 166.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 221 | L | 52.9 | Low | 48.5 | Very low | 166 Ų | 166 | 134.6 Ų | 134.6 | 87% | 0.869 | 78% | 0.784 | S | S | * | * | trans | 172.8 | 108.7 | 157.5 | -93.3 | 144.4 | 0 | 0 | 0 | 106.4 | ||||
| 222 | E | 44 | Very low | 48.2 | Very low | 179 Ų | 179 | 134 Ų | 134 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | 66.1 | 109.2 | 73.8 | -80.3 | -112.8 | 102.2 | 0 | 0 | 115.7 | |||||
| 223 | S | 53.3 | Low | 48.4 | Very low | 117 Ų | 117 | 129.2 Ų | 129.2 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | -179.7 | 139 | 127.6 | 43 | 0 | 0 | 0 | 0 | 113 | |||||
| 224 | S | 46.5 | Very low | 48.3 | Very low | 117 Ų | 117 | 129.5 Ų | 129.5 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -128.9 | -167.8 | 163.4 | -70.1 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 225 | P | 49.8 | Very low | 48.6 | Very low | 119 Ų | 119 | 128.4 Ų | 128.4 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | cis | -147 | -171.9 | 6.4 | 44.7 | -24.4 | 0 | 0 | 0 | 117.1 | ||||
| 226 | S | 41.6 | Very low | 48.7 | Very low | 122 Ų | 122 | 131.2 Ų | 131.2 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | 67.8 | 127.9 | 140.1 | -163.6 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 227 | G | 53.5 | Low | 48.5 | Very low | 72 Ų | 72 | 132.6 Ų | 132.6 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | trans | 179 | 105.2 | 161.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 228 | T | 45.2 | Very low | 48.8 | Very low | 134 Ų | 134 | 130 Ų | 130 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | trans | -134.3 | -176.2 | 168.3 | 64.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 229 | P | 54.3 | Low | 48.6 | Very low | 109 Ų | 109 | 127.3 Ų | 127.3 | 71% | 0.708 | 77% | 0.772 | S | S | * | * | cis | -130.2 | -165.9 | -13.1 | 30.4 | -7.3 | 0 | 0 | 0 | 112.4 | ||||
| 230 | Y | 46.6 | Very low | 48.7 | Very low | 213 Ų | 213 | 126.2 Ų | 126.2 | 84% | 0.835 | 76% | 0.763 | S | S | * | * | 146.7 | 140.8 | 118.1 | -149.7 | -108.5 | 0 | 0 | 0 | 115.9 | |||||
| 231 | A | 45.6 | Very low | 49.3 | Very low | 83 Ų | 83 | 129.6 Ų | 129.6 | 69% | 0.686 | 76% | 0.761 | S | S | * | * | trans | 59 | 159.8 | 161.3 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 232 | S | 46.7 | Very low | 49 | Very low | 113 Ų | 113 | 130.4 Ų | 130.4 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | cis | -174.7 | 167.6 | -31.3 | -166.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 233 | S | 52.6 | Low | 49.1 | Very low | 105 Ų | 105 | 126 Ų | 126 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | trans | 123.3 | 134.2 | 149.1 | -158.4 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 234 | D | 45 | Very low | 49.3 | Very low | 132 Ų | 132 | 129.6 Ų | 129.6 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | trans | -77.5 | 163.8 | -173.3 | -50.4 | -99.8 | 0 | 0 | 0 | 115 | ||||
| 235 | N | 52.2 | Low | 49.2 | Very low | 132 Ų | 132 | 133.4 Ų | 133.4 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | 179.2 | 137.5 | 105.6 | -94 | -57.8 | 0 | 0 | 0 | 114.4 | |||||
| 236 | Q | 48.7 | Very low | 49.7 | Very low | 176 Ų | 176 | 131.6 Ų | 131.6 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | 30.7 | 154 | 126.1 | -69.6 | -173.3 | -21.3 | 0 | 0 | 121.3 | |||||
| 237 | D | 46.6 | Very low | 49.8 | Very low | 137 Ų | 137 | 133.1 Ų | 133.1 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | cis | -177.2 | 179.3 | -9.2 | 171 | 50.7 | 0 | 0 | 0 | 108 | ||||
| 238 | S | 54.5 | Low | 49.7 | Very low | 100 Ų | 100 | 134.8 Ų | 134.8 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | trans | 104.4 | 127.9 | 151.3 | -78.5 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 239 | S | 48.7 | Very low | 49.9 | Very low | 100 Ų | 100 | 134.1 Ų | 134.1 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | trans | -78.7 | -168.8 | 173 | 47.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 240 | E | 51.9 | Low | 49.4 | Very low | 137 Ų | 137 | 135.7 Ų | 135.7 | 64% | 0.64 | 76% | 0.759 | S | S | * | * | cis | -177.3 | 179.1 | 31 | -150.8 | -173.1 | 122.8 | 0 | 0 | 111.8 | ||||
| 241 | K | 55 | Low | 50 | Low | 158 Ų | 158 | 131.6 Ų | 131.6 | 69% | 0.687 | 76% | 0.761 | S | S | * | * | trans | 79.7 | 124.6 | 159.8 | -65.7 | 165.7 | -167.4 | -179.6 | 0 | 117.7 | ||||
| 242 | Q | 47.1 | Very low | 50.2 | Low | 183 Ų | 183 | 136.1 Ų | 136.1 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | 65.6 | 138 | 61.5 | -70 | -172.9 | -17 | 0 | 0 | 112.7 | |||||
| 243 | A | 45.6 | Very low | 50.6 | Low | 87 Ų | 87 | 135.9 Ų | 135.9 | 72% | 0.719 | 77% | 0.766 | S | S | * | * | cis | -146.4 | -177.8 | -9.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 244 | E | 58.2 | Low | 50.6 | Low | 193 Ų | 193 | 137.4 Ų | 137.4 | 90% | 0.902 | 77% | 0.766 | S | S | * | * | 179 | 178.4 | 69.6 | -87.3 | -154.7 | 132.8 | 0 | 0 | 112.2 | |||||
| 245 | H | 43.8 | Very low | 50.7 | Low | 197 Ų | 197 | 137 Ų | 137 | 91% | 0.912 | 77% | 0.768 | S | S | * | * | trans | -69.8 | 159.6 | -178.2 | -87.3 | -122.2 | 0 | 0 | 0 | 116.6 | ||||
| 246 | G | 60.2 | Low | 50.7 | Low | 81 Ų | 81 | 141.8 Ų | 141.8 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | trans | -170.2 | 112.4 | 160.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 247 | N | 44.1 | Very low | 50.7 | Low | 153 Ų | 153 | 138.5 Ų | 138.5 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -117.8 | 173.8 | -173.2 | -178.6 | 26.5 | 0 | 0 | 0 | 110.9 | ||||
| 248 | V | 50.9 | Low | 51.3 | Low | 108 Ų | 108 | 141 Ų | 141 | 66% | 0.655 | 78% | 0.781 | S | S | * | * | trans | 111.9 | 135.2 | 148.9 | -172.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 249 | T | 50.1 | Low | 50.9 | Low | 120 Ų | 120 | 140.1 Ų | 140.1 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | trans | 79.5 | 100.2 | 158.9 | 37 | 0 | 0 | 0 | 0 | 123 | ||||
| 250 | D | 43 | Very low | 51.1 | Low | 142 Ų | 142 | 142.4 Ų | 142.4 | 76% | 0.759 | 79% | 0.789 | S | S | * | * | 7.9 | 140.9 | 119.8 | -69.4 | -51.7 | 0 | 0 | 0 | 121.2 | |||||
| 251 | S | 58.7 | Low | 51.3 | Low | 126 Ų | 126 | 139.8 Ų | 139.8 | 88% | 0.881 | 80% | 0.798 | S | S | * | * | -162.4 | 142.5 | 121.2 | -79.4 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 252 | E | 50.8 | Low | 51 | Low | 178 Ų | 178 | 139.5 Ų | 139.5 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | trans | -92.6 | -165.5 | -172.5 | -59.4 | 174.8 | 87.7 | 0 | 0 | 113.8 | ||||
| 253 | S | 55.7 | Low | 51.5 | Low | 109 Ų | 109 | 137.5 Ų | 137.5 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | 84.3 | 141.2 | 166.2 | 84 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 254 | D | 51.3 | Low | 51.7 | Low | 137 Ų | 137 | 140.6 Ų | 140.6 | 73% | 0.733 | 81% | 0.808 | S | S | * | * | cis | -155.1 | 166.3 | -17.2 | -136.5 | -56.1 | 0 | 0 | 0 | 112.5 | ||||
| 255 | T | 46.8 | Very low | 51.7 | Low | 122 Ų | 122 | 142 Ų | 142 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | trans | -18.1 | 146.3 | 163 | 47.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 256 | R | 53.8 | Low | 52.4 | Low | 233 Ų | 233 | 141.2 Ų | 141.2 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | -175.6 | 136.1 | 98 | -170.4 | 162.2 | 177.4 | 167.7 | -3.2 | 113.2 | |||||
| 257 | S | 48.5 | Very low | 52.1 | Low | 108 Ų | 108 | 146.1 Ų | 146.1 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | -99.6 | 153.8 | 177.4 | 37 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 258 | E | 58.1 | Low | 52.6 | Low | 189 Ų | 189 | 150.4 Ų | 150.4 | 88% | 0.883 | 81% | 0.805 | S | S | * | * | trans | -147 | 159.9 | 156.6 | -127.7 | 177.3 | -160.3 | 0 | 0 | 110.7 | ||||
| 259 | A | 46.9 | Very low | 52.8 | Low | 81 Ų | 81 | 153.5 Ų | 153.5 | 67% | 0.669 | 81% | 0.81 | S | S | * | * | trans | -138.8 | -175 | -151 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 260 | V | 52.5 | Low | 52.8 | Low | 149 Ų | 149 | 153.3 Ų | 153.3 | 90% | 0.903 | 81% | 0.808 | S | S | * | * | trans | 66.3 | 129.3 | 161.5 | -69.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 261 | G | 55.1 | Low | 53.2 | Low | 81 Ų | 81 | 155.6 Ų | 155.6 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | trans | -175.7 | 55 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 262 | L | 50.3 | Low | 52.4 | Low | 153 Ų | 153 | 154.4 Ų | 154.4 | 80% | 0.801 | 81% | 0.812 | S | S | * | * | trans | -73.7 | 144.5 | 176.3 | -73.2 | 161.5 | 0 | 0 | 0 | 111.5 | ||||
| 263 | T | 57.2 | Low | 52.2 | Low | 140 Ų | 140 | 150.9 Ų | 150.9 | 86% | 0.859 | 81% | 0.813 | S | S | * | * | -173.6 | 140.1 | 121.9 | 20.7 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 264 | N | 50.5 | Low | 51.8 | Low | 152 Ų | 152 | 150 Ų | 150 | 81% | 0.813 | 81% | 0.812 | S | S | * | * | trans | -54.5 | 168.7 | 179.2 | -52.1 | -39.5 | 0 | 0 | 0 | 115.2 | ||||
| 265 | R | 56.9 | Low | 51.7 | Low | 222 Ų | 222 | 148.2 Ų | 148.2 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | 172.7 | 137 | 102.1 | -171.5 | 169.1 | -162.1 | -175 | 6 | 116.1 | |||||
| 266 | K | 59.1 | Low | 51.8 | Low | 182 Ų | 182 | 147.1 Ų | 147.1 | 79% | 0.791 | 81% | 0.814 | S | S | * | * | trans | 89.1 | 109.1 | 152.7 | -97.6 | 173.9 | 178.7 | -178.5 | 0 | 121.2 | ||||
| 267 | E | 52.8 | Low | 51.7 | Low | 184 Ų | 184 | 141.7 Ų | 141.7 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | trans | -85 | 161.1 | 162 | -48.6 | 144.7 | 114 | 0 | 0 | 112.2 | ||||
| 268 | R | 56.3 | Low | 51.5 | Low | 242 Ų | 242 | 142.1 Ų | 142.1 | 91% | 0.913 | 82% | 0.815 | S | S | * | * | trans | 171.5 | 150.6 | 146.2 | -101 | 178.3 | 164.2 | -156.9 | -4.5 | 108.7 | ||||
| 269 | K | 54.6 | Low | 51.3 | Low | 174 Ų | 174 | 137 Ų | 137 | 76% | 0.757 | 81% | 0.805 | S | S | * | * | cis | -167.2 | 120.1 | -27.4 | 168.5 | 174.2 | 178 | 177.9 | 0 | 107.9 | ||||
| 270 | V | 49.8 | Very low | 51.5 | Low | 115 Ų | 115 | 142.6 Ų | 142.6 | 70% | 0.697 | 82% | 0.817 | S | S | * | * | trans | 28.5 | 119.7 | 142.1 | -168.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 271 | Q | 51.2 | Low | 51.2 | Low | 191 Ų | 191 | 140.3 Ų | 140.3 | 89% | 0.893 | 81% | 0.808 | S | S | * | * | -165.3 | 154.4 | 118.4 | -107.6 | 157.6 | 103.9 | 0 | 0 | 113.1 | |||||
| 272 | A | 41.2 | Very low | 50.8 | Low | 101 Ų | 101 | 143.6 Ų | 143.6 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -144.1 | 143.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 273 | A | 47.9 | Very low | 50.9 | Low | 103 Ų | 103 | 145.2 Ų | 145.2 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | trans | -174.8 | 153 | 158.9 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 274 | A | 46.7 | Very low | 50.6 | Low | 90 Ų | 90 | 143.9 Ų | 143.9 | 74% | 0.744 | 80% | 0.804 | S | S | * | * | cis | 156.7 | 134.5 | -23.6 | 0 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 275 | A | 48.8 | Very low | 50.6 | Low | 100 Ų | 100 | 140.9 Ų | 140.9 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | trans | 63.3 | 158 | 169.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 276 | S | 50 | Low | 50.2 | Low | 99 Ų | 99 | 138.3 Ų | 138.3 | 69% | 0.692 | 80% | 0.798 | S | S | * | * | cis | -172.4 | 166.7 | -25.9 | 53.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 277 | S | 51 | Low | 49.8 | Very low | 120 Ų | 120 | 135.7 Ų | 135.7 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | trans | 72.4 | 157.7 | 173.3 | 80.2 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 278 | S | 45.3 | Very low | 50.2 | Low | 116 Ų | 116 | 134 Ų | 134 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | cis | 167.8 | 161.9 | -28.1 | -170.8 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 279 | A | 53.2 | Low | 50.2 | Low | 83 Ų | 83 | 130 Ų | 130 | 69% | 0.686 | 78% | 0.78 | S | S | * | * | trans | 70.2 | 113.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 280 | E | 50.7 | Low | 50.1 | Low | 197 Ų | 197 | 129.3 Ų | 129.3 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | 90.4 | 150.4 | 56.3 | -78.9 | -165 | 124.3 | 0 | 0 | 113.5 | |||||
| 281 | S | 47.1 | Very low | 50.3 | Low | 101 Ų | 101 | 132.1 Ų | 132.1 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | 85.3 | 110.4 | 174.1 | -92.4 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 282 | D | 46.2 | Very low | 50.5 | Low | 150 Ų | 150 | 132.1 Ų | 132.1 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | trans | 86.7 | 130.9 | 132.3 | -54.2 | -42.4 | 0 | 0 | 0 | 122.5 | ||||
| 283 | E | 53 | Low | 50.9 | Low | 188 Ų | 188 | 131.3 Ų | 131.3 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | trans | -65.4 | 161.4 | 168.4 | -51.8 | -172.8 | 98.9 | 0 | 0 | 110.8 | ||||
| 284 | P | 49.5 | Very low | 51 | Low | 112 Ų | 112 | 131.5 Ų | 131.5 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | -156.8 | 170.7 | 88.9 | 39.7 | -19.7 | 0 | 0 | 0 | 118 | |||||
| 285 | S | 52.5 | Low | 50.9 | Low | 88 Ų | 88 | 136 Ų | 136 | 62% | 0.615 | 79% | 0.787 | S | S | * | * | trans | 57.3 | 118.5 | 139.9 | 60.8 | 0 | 0 | 0 | 0 | 121.7 | D287 | S285-D287 VanDerWaalsContact C-N 3.26Å; S285-D287 PolarHBondContact O-N 3.34Å | ||
| 286 | D | 47.3 | Very low | 51.1 | Low | 169 Ų | 169 | 140.8 Ų | 140.8 | 90% | 0.904 | 79% | 0.792 | S | S | * | * | trans | -76 | 68.3 | 163 | -147.5 | -11.7 | 0 | 0 | 0 | 110.4 | ||||
| 287 | D | 50.4 | Low | 50.9 | Low | 126 Ų | 126 | 140.5 Ų | 140.5 | 67% | 0.674 | 80% | 0.796 | S | S | * | * | trans | -107.5 | 117.2 | 175.9 | -109.6 | -51.7 | 0 | 0 | 0 | 111.7 | S285 | S285-D287 VanDerWaalsContact C-N 3.26Å; S285-D287 PolarHBondContact O-N 3.34Å | ||
| 288 | L | 61.8 | Low | 51.2 | Low | 149 Ų | 149 | 144.1 Ų | 144.1 | 78% | 0.78 | 80% | 0.799 | S | S | * | * | trans | -119.2 | 90.7 | 172.9 | -79 | 178.9 | 0 | 0 | 0 | 109 | ||||
| 289 | E | 55.8 | Low | 51.7 | Low | 159 Ų | 159 | 148 Ų | 148 | 74% | 0.743 | 80% | 0.802 | S | S | * | * | trans | -57.3 | 141 | -177.5 | -58.9 | -169.6 | 148.2 | 0 | 0 | 113.7 | ||||
| 290 | E | 52 | Low | 51.9 | Low | 158 Ų | 158 | 149.5 Ų | 149.5 | 74% | 0.738 | 81% | 0.807 | S | S | * | * | trans | -104.6 | 94.8 | 154 | -74.1 | -175.4 | 144.7 | 0 | 0 | 107.1 | K363 | E290-K363 IonicContact OE1-NZ 2.65Å; E290-K363 PolarHBondContact OE1-NZ 3Å | ||
| 291 | Q | 54.6 | Low | 51.8 | Low | 175 Ų | 175 | 147.2 Ų | 147.2 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -92.5 | 105 | 171.6 | -160.1 | -178.7 | 30.4 | 0 | 0 | 108.9 | ||||
| 292 | E | 55.9 | Low | 52.2 | Low | 191 Ų | 191 | 148 Ų | 148 | 89% | 0.893 | 81% | 0.807 | S | S | * | * | trans | -82.2 | 137.4 | 165.6 | -67.9 | -165.4 | 138.9 | 0 | 0 | 109.2 | ||||
| 293 | G | 49.5 | Very low | 52.4 | Low | 83 Ų | 83 | 147.5 Ų | 147.5 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | trans | -93.9 | 144 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 294 | S | 49.8 | Very low | 52.7 | Low | 107 Ų | 107 | 147 Ų | 147 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | -122.9 | 126 | 165.8 | 57.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 295 | E | 45.2 | Very low | 52.8 | Low | 184 Ų | 184 | 146.1 Ų | 146.1 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | 29.4 | 118.2 | 142.4 | -54.7 | -178.4 | 170 | 0 | 0 | 119.1 | ||||
| 296 | E | 51.7 | Low | 53 | Low | 202 Ų | 202 | 148.4 Ų | 148.4 | 94% | 0.944 | 80% | 0.799 | S | S | * | * | -165.5 | 165.5 | 106.9 | -103.9 | 176.4 | -176.9 | 0 | 0 | 111.4 | |||||
| 297 | A | 46.3 | Very low | 53.5 | Low | 93 Ų | 93 | 147.2 Ų | 147.2 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -96.8 | 168.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 298 | E | 57.3 | Low | 53.9 | Low | 195 Ų | 195 | 148.5 Ų | 148.5 | 91% | 0.911 | 79% | 0.79 | S | S | * | * | trans | -173.9 | 163.8 | 142.9 | -93 | -87.8 | 103.4 | 0 | 0 | 109.4 | ||||
| 299 | K | 56.3 | Low | 53.7 | Low | 199 Ų | 199 | 149 Ų | 149 | 87% | 0.865 | 79% | 0.786 | S | S | * | * | trans | -110.5 | 152.1 | -171.1 | -69.2 | 169.7 | 173.9 | 171 | 0 | 113.3 | ||||
| 300 | S | 56.1 | Low | 53.7 | Low | 114 Ų | 114 | 148.9 Ų | 148.9 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | 162 | 122 | 149.9 | 177.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 301 | D | 49.5 | Very low | 53.6 | Low | 149 Ų | 149 | 148.1 Ų | 148.1 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | cis | 83.1 | 77.1 | 23.1 | -153.5 | 16.8 | 0 | 0 | 0 | 117.3 | ||||
| 302 | S | 55.5 | Low | 53.7 | Low | 117 Ų | 117 | 147 Ų | 147 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | 176.9 | 166.1 | 147.2 | -83 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 303 | N | 50.8 | Low | 53.7 | Low | 140 Ų | 140 | 145.2 Ų | 145.2 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | -167.9 | 166.9 | -53.6 | -155.3 | -11.8 | 0 | 0 | 0 | 107.4 | |||||
| 304 | Q | 58.3 | Low | 53.8 | Low | 177 Ų | 177 | 148.9 Ų | 148.9 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | trans | 64.6 | 147.7 | 169.7 | -66.9 | 175.1 | -28.1 | 0 | 0 | 116.9 | ||||
| 305 | S | 53.3 | Low | 53.7 | Low | 93 Ų | 93 | 147.9 Ų | 147.9 | 65% | 0.65 | 78% | 0.775 | S | S | * | * | cis | -156.4 | -170.5 | -13.9 | 57 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 306 | Q | 56.4 | Low | 54.1 | Low | 136 Ų | 136 | 147.4 Ų | 147.4 | 64% | 0.636 | 77% | 0.772 | S | S | * | * | cis | -159.5 | 176.6 | 5.3 | -141.7 | 152.9 | -70.7 | 0 | 0 | 109.6 | ||||
| 307 | E | 57.7 | Low | 54.3 | Low | 144 Ų | 144 | 144.7 Ų | 144.7 | 67% | 0.673 | 76% | 0.757 | S | S | * | * | trans | 45.3 | 139.2 | 147.5 | -81.5 | 142.2 | -154.2 | 0 | 0 | 122.4 | ||||
| 308 | E | 58.1 | Low | 54.5 | Low | 154 Ų | 154 | 147.8 Ų | 147.8 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | cis | -160.1 | 154.9 | 2.8 | -140.5 | 170.2 | -167.6 | 0 | 0 | 113 | ||||
| 309 | K | 57.2 | Low | 54.3 | Low | 159 Ų | 159 | 142 Ų | 142 | 69% | 0.691 | 74% | 0.741 | S | S | * | * | trans | 23.9 | 154.2 | 147.3 | -75.9 | 178.1 | 161.5 | -147.1 | 0 | 123 | ||||
| 310 | E | 57 | Low | 54.3 | Low | 157 Ų | 157 | 141.5 Ų | 141.5 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | cis | -152.5 | 165.1 | 10.9 | -138.7 | 155.5 | -148.2 | 0 | 0 | 112.8 | ||||
| 311 | E | 49.9 | Very low | 54.2 | Low | 142 Ų | 142 | 141.2 Ų | 141.2 | 66% | 0.664 | 74% | 0.74 | S | S | * | * | trans | -91.6 | 159.3 | -178.7 | -70.8 | -174.8 | 103.2 | 0 | 0 | 114 | K313 | E311-K313 IonicContact OE1-NZ 2.65Å; E311-K313 PolarHBondContact OE1-NZ 3.31Å | ||
| 312 | T | 56.5 | Low | 54.3 | Low | 151 Ų | 151 | 141.8 Ų | 141.8 | 93% | 0.926 | 74% | 0.742 | S | S | * | * | -158 | 137.6 | 129.9 | 5.6 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 313 | K | 55 | Low | 54.1 | Low | 154 Ų | 154 | 142.5 Ų | 142.5 | 67% | 0.67 | 75% | 0.747 | S | S | * | * | trans | -115 | 160.4 | 178.9 | -72.8 | 177.8 | -178.3 | 104.2 | 0 | 110.9 | E311 | E311-K313 IonicContact OE1-NZ 2.65Å; E311-K313 PolarHBondContact OE1-NZ 3.31Å | ||
| 314 | N | 52.4 | Low | 54.3 | Low | 159 Ų | 159 | 140.6 Ų | 140.6 | 85% | 0.85 | 75% | 0.745 | S | S | * | * | trans | 125.6 | 139.8 | 149.4 | -62.1 | -22.6 | 0 | 0 | 0 | 112.3 | ||||
| 315 | A | 47.6 | Very low | 54.2 | Low | 87 Ų | 87 | 137 Ų | 137 | 72% | 0.719 | 74% | 0.74 | S | S | * | * | cis | 148.6 | 91.7 | -21.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 316 | H | 53.1 | Low | 54.2 | Low | 173 Ų | 173 | 140.3 Ų | 140.3 | 80% | 0.801 | 75% | 0.749 | S | S | * | * | trans | -165.3 | 111.4 | 157.1 | -130.7 | -110 | 0 | 0 | 0 | 107.2 | ||||
| 317 | K | 55 | Low | 53.5 | Low | 145 Ų | 145 | 141 Ų | 141 | 63% | 0.63 | 76% | 0.763 | S | S | * | * | 82.8 | 117.2 | 76.3 | -100.3 | -177.8 | 162.7 | -119.1 | 0 | 114.3 | |||||
| 318 | E | 52.2 | Low | 52.8 | Low | 158 Ų | 158 | 139.2 Ų | 139.2 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | trans | 68.8 | 140.8 | 145.6 | -62.1 | 175.5 | -123.5 | 0 | 0 | 117.2 | ||||
| 319 | A | 53 | Low | 52.2 | Low | 73 Ų | 73 | 139.7 Ų | 139.7 | 60% | 0.603 | 77% | 0.773 | S | S | * | * | cis | -163.4 | 176.1 | -10.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 320 | H | 55.1 | Low | 52 | Low | 189 Ų | 189 | 138.3 Ų | 138.3 | 88% | 0.875 | 77% | 0.769 | S | S | * | * | trans | 74.4 | 141.4 | 162.5 | -64.2 | -76.6 | 0 | 0 | 0 | 122.1 | ||||
| 321 | S | 54 | Low | 51.9 | Low | 109 Ų | 109 | 137.5 Ų | 137.5 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | trans | 108.1 | 97.8 | 140.7 | -135.1 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 322 | D | 52.7 | Low | 52 | Low | 160 Ų | 160 | 138.8 Ų | 138.8 | 86% | 0.856 | 77% | 0.773 | S | S | * | * | trans | 28.3 | 107.3 | 137 | -62.1 | -27.9 | 0 | 0 | 0 | 120 | ||||
| 323 | S | 50.3 | Low | 52.3 | Low | 132 Ų | 132 | 135.6 Ų | 135.6 | 92% | 0.923 | 75% | 0.754 | S | S | * | * | trans | -135.5 | 136.1 | 143.4 | -173.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 324 | S | 56.4 | Low | 52.2 | Low | 101 Ų | 101 | 134 Ų | 134 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | trans | -127.1 | 149 | -164.8 | 71.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 325 | S | 54.5 | Low | 52.4 | Low | 101 Ų | 101 | 131.5 Ų | 131.5 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | trans | 67.7 | 102.2 | 154.5 | -45.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 326 | L | 53.5 | Low | 52.8 | Low | 162 Ų | 162 | 136.3 Ų | 136.3 | 85% | 0.848 | 75% | 0.749 | S | S | * | * | S | Bend | 165 | 90.3 | 98.5 | -82.4 | -177.9 | 0 | 0 | 0 | 112.6 | |||
| 327 | T | 42.9 | Very low | 53 | Low | 150 Ų | 150 | 139.7 Ų | 139.7 | 92% | 0.92 | 76% | 0.755 | S | S | * | * | trans | 179.3 | 42.8 | 139.3 | 25.6 | 0 | 0 | 0 | 0 | 110.6 | L329 | T327-L329 PolarHBondContact O-N 3.06Š| ||
| 328 | S | 43.3 | Very low | 53.2 | Low | 108 Ų | 108 | 144 Ų | 144 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | trans | -82.5 | 108.4 | -179 | -176.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 329 | L | 45.6 | Very low | 53.4 | Low | 163 Ų | 163 | 146.2 Ų | 146.2 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | -136 | 49.6 | 154.9 | -160.1 | 97.7 | 0 | 0 | 0 | 110.1 | T327 D331 | T327-L329 PolarHBondContact O-N 3.06Å; L329-D331 PolarHBondContact O-N 3.4Å | ||
| 330 | E | 51.9 | Low | 53.7 | Low | 130 Ų | 130 | 152 Ų | 152 | 61% | 0.607 | 78% | 0.783 | S | S | * | * | trans | -92.5 | 86.2 | 173.1 | -78 | 174.6 | 81.4 | 0 | 0 | 110.9 | K332 | E330-K332 PolarHBondContact O-N 3.08Å; E330-K332 VanDerWaalsContact OE1-CE 3.29Å; E330-K332 WeakPolarHBondContact OE1-CE 3.42Å; E330-K332 IonicContact OE1-NZ 2.8Å; E330-K332 PolarHBondContact OE1-NZ 2.88Å | ||
| 331 | D | 54.1 | Low | 53.8 | Low | 140 Ų | 140 | 155.2 Ų | 155.2 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | trans | -69 | 77.6 | 167.7 | -104.2 | -37.2 | 0 | 0 | 0 | 110.7 | L329 T333 | L329-D331 PolarHBondContact O-N 3.4Å; D331-T333 PolarHBondContact O-N 3.37Å | ||
| 332 | K | 53.9 | Low | 54.1 | Low | 170 Ų | 170 | 158.9 Ų | 158.9 | 74% | 0.739 | 79% | 0.79 | S | S | * | * | trans | -70 | 69.9 | 171.4 | -78.6 | 168.8 | 174.2 | 141.8 | 0 | 110.7 | E330 | E330-K332 PolarHBondContact O-N 3.08Å; E330-K332 VanDerWaalsContact OE1-CE 3.29Å; E330-K332 WeakPolarHBondContact OE1-CE 3.42Å; E330-K332 IonicContact OE1-NZ 2.8Å; E330-K332 PolarHBondContact OE1-NZ 2.88Å | ||
| 333 | T | 62 | Low | 54.3 | Low | 84 Ų | 84 | 161.9 Ų | 161.9 | 52% | 0.515 | 79% | 0.789 | S | S | . | * | trans | -97.1 | 129.1 | 165.9 | 55.6 | 0 | 0 | 0 | 0 | 110.6 | D331 I335 | D331-T333 PolarHBondContact O-N 3.37Å; T333-I335 VanDerWaalsContact C-N 3.28Å; T333-I335 PolarHBondContact O-N 3Å | ||
| 334 | P | 53.4 | Low | 54.4 | Low | 119 Ų | 119 | 159.7 Ų | 159.7 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | trans | -77.4 | 77.1 | 179 | 31.8 | -35.1 | 0 | 0 | 0 | 110.6 | K336 | P334-K336 PolarHBondContact O-N 3.5Š| ||
| 335 | I | 56.3 | Low | 54.3 | Low | 107 Ų | 107 | 162.3 Ų | 162.3 | 55% | 0.549 | 78% | 0.778 | S | S | . | * | trans | -75.9 | 55 | 172.2 | -47.2 | -177.4 | 0 | 0 | 0 | 110.3 | T333 | T333-I335 VanDerWaalsContact C-N 3.28Å; T333-I335 PolarHBondContact O-N 3Å | ||
| 336 | K | 55.9 | Low | 54.4 | Low | 188 Ų | 188 | 164.7 Ų | 164.7 | 82% | 0.817 | 78% | 0.782 | S | S | * | * | trans | -73.1 | 129.9 | 165.4 | -95.8 | 179 | 175.7 | 175.8 | 0 | 108.4 | P334 | P334-K336 PolarHBondContact O-N 3.5Š| ||
| 337 | R | 58 | Low | 54.5 | Low | 244 Ų | 244 | 163 Ų | 163 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | S | Bend | trans | 71.8 | 46.7 | 161.4 | -46.7 | 179.8 | 97.2 | 164.8 | 7.2 | 119.5 | ||
| 338 | R | 58.2 | Low | 55.1 | Low | 237 Ų | 237 | 160.1 Ų | 160.1 | 89% | 0.894 | 75% | 0.752 | S | S | * | * | trans | -151 | 30.2 | 160.2 | -146.4 | 173.7 | 146.6 | 171.2 | -6.5 | 118.3 | ||||
| 339 | R | 56.5 | Low | 55.8 | Low | 203 Ų | 203 | 162.9 Ų | 162.9 | 77% | 0.766 | 75% | 0.753 | S | S | * | * | trans | -121.1 | 4.1 | -178.5 | -78.8 | -173 | 172.7 | -178.8 | -0.2 | 117.6 | ||||
| 340 | Q | 58.4 | Low | 56.3 | Low | 194 Ų | 194 | 158.6 Ų | 158.6 | 91% | 0.907 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -82.6 | -16.9 | -178.9 | -82.3 | 171.5 | -37.2 | 0 | 0 | 115.8 | K342 | Q340-K342 PolarHBondContact O-N 3.4Š|
| 341 | R | 58.4 | Low | 56.4 | Low | 258 Ų | 258 | 156.4 Ų | 156.4 | 97% | 0.974 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -90.2 | 21.6 | -176.2 | -77.5 | -171.7 | 170.2 | -176.9 | -3.2 | 116.3 | ||
| 342 | K | 59.2 | Low | 56.5 | Low | 185 Ų | 185 | 158.4 Ų | 158.4 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -134.4 | 9.8 | -178.9 | -138.8 | -178.8 | -176.1 | -177.1 | 0 | 116.3 | Q340 | Q340-K342 PolarHBondContact O-N 3.4Š|
| 343 | R | 56.7 | Low | 56.6 | Low | 224 Ų | 224 | 153.3 Ų | 153.3 | 85% | 0.845 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -96.9 | -18 | 174.8 | -78.5 | -172.5 | 170.7 | -175 | -3 | 114.6 | K345 | R343-K345 PolarHBondContact O-N 3.1Š|
| 344 | A | 53.2 | Low | 56.4 | Low | 86 Ų | 86 | 153.4 Ų | 153.4 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | 7.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 345 | K | 54.2 | Low | 57.2 | Low | 155 Ų | 155 | 152.6 Ų | 152.6 | 67% | 0.674 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.1 | 18.7 | -165.9 | -137.4 | 177.4 | -170.3 | 176.3 | 0 | 115.2 | R343 | R343-K345 PolarHBondContact O-N 3.1Š|
| 346 | L | 56.8 | Low | 58.4 | Low | 151 Ų | 151 | 154.8 Ų | 154.8 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -106.8 | -20 | 175.3 | -70.9 | 176.8 | 0 | 0 | 0 | 113.1 | ||
| 347 | D | 55.9 | Low | 59.8 | Low | 127 Ų | 127 | 149.1 Ų | 149.1 | 68% | 0.679 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -84.5 | -24.9 | 173.8 | -56.6 | -64.8 | 0 | 0 | 0 | 111.9 | E349 Q350 | D347-E349 VanDerWaalsContact C-N 3.26Å; D347-E349 PolarHBondContact O-N 3.44Å; D347-Q350 PolarHBondContact O-N 2.86Å; D347-Q350 VanDerWaalsContact O-N 3.14Å |
| 348 | D | 55.8 | Low | 61.5 | Low | 89 Ų | 89 | 141 Ų | 141 | 48% | 0.476 | 70% | 0.701 | S | S | . | * | G | 310 helix | trans | -57.7 | -25.9 | 176.7 | -85.7 | -25.3 | 0 | 0 | 0 | 115 | Q350 A351 | D348-Q350 PolarHBondContact O-N 3.4Å; D348-A351 PolarHBondContact O-N 2.85Å |
| 349 | E | 57 | Low | 63.2 | Low | 166 Ų | 166 | 133.6 Ų | 133.6 | 78% | 0.776 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -68.5 | -20.2 | 178.6 | -77.8 | -142.1 | 129.7 | 0 | 0 | 112.6 | D347 A351 | D347-E349 VanDerWaalsContact C-N 3.26Å; D347-E349 PolarHBondContact O-N 3.44Å; E349-A351 VanDerWaalsContact C-N 3.29Å |
| 350 | Q | 55.8 | Low | 65.1 | Low | 73 Ų | 73 | 133.1 Ų | 133.1 | 34% | 0.341 | 69% | 0.689 | S | S | . | * | G | 310 helix | trans | -77.7 | -15.6 | 175.9 | -165.2 | 151.5 | -11.2 | 0 | 0 | 112.8 | D347 D348 K352 R369 | D347-Q350 PolarHBondContact O-N 2.86Å; D347-Q350 VanDerWaalsContact O-N 3.14Å; D348-Q350 PolarHBondContact O-N 3.4Å; Q350-K352 VanDerWaalsContact C-N 3.32Å; Q350-K352 PolarHBondContact O-N 3.47Å; Q350-R369 VanDerWaalsContact OE1-NH1 3.09Å |
| 351 | A | 54.4 | Low | 66.9 | Low | 84 Ų | 84 | 124 Ų | 124 | 69% | 0.694 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -81.9 | -4.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | D348 E349 | D348-A351 PolarHBondContact O-N 2.85Å; E349-A351 VanDerWaalsContact C-N 3.29Å |
| 352 | K | 56.1 | Low | 68.6 | Low | 183 Ų | 183 | 113.8 Ų | 113.8 | 80% | 0.796 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -101.9 | -3.5 | -173.3 | -80 | -173.3 | 173.3 | -176.5 | 0 | 116.3 | Q350 G354 | Q350-K352 VanDerWaalsContact C-N 3.32Å; Q350-K352 PolarHBondContact O-N 3.47Å; K352-G354 PolarHBondContact O-N 3.45Å |
| 353 | S | 55.8 | Low | 70.4 | Confident | 62 Ų | 62 | 109.5 Ų | 109.5 | 43% | 0.434 | 59% | 0.594 | S | S | . | * | S | Bend | trans | -81 | 106.4 | 163 | 48.7 | 0 | 0 | 0 | 0 | 108.6 | T355 | S353-T355 PolarHBondContact O-N 3.3Š|
| 354 | G | 58 | Low | 72.3 | Confident | 87 Ų | 87 | 99.4 Ų | 99.4 | 90% | 0.897 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -69.3 | 32.5 | -170.9 | 0 | 0 | 0 | 0 | 0 | 117 | K352 | K352-G354 PolarHBondContact O-N 3.45Š|
| 355 | T | 71.4 | Confident | 74.4 | Confident | 102 Ų | 102 | 96 Ų | 96 | 63% | 0.626 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -123.3 | 126.1 | 167.5 | 24.1 | 0 | 0 | 0 | 0 | 107.7 | S353 E357 | S353-T355 PolarHBondContact O-N 3.3Å; T355-E357 VanDerWaalsContact C-N 3.28Å; T355-E357 PolarHBondContact O-N 3.5Å |
| 356 | V | 81.2 | Confident | 76.4 | Confident | 152 Ų | 152 | 95.8 Ų | 95.8 | 92% | 0.921 | 52% | 0.521 | S | S | * | . | trans | -70.2 | 85.9 | 179 | -177.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 357 | E | 84.7 | Confident | 78.4 | Confident | 69 Ų | 69 | 90.3 Ų | 90.3 | 32% | 0.322 | 49% | 0.49 | S | S | . | . | trans | -69.4 | 133.6 | 175.8 | -63.9 | -166.3 | 144.4 | 0 | 0 | 110.5 | T355 A359 K365 | T355-E357 VanDerWaalsContact C-N 3.28Å; T355-E357 PolarHBondContact O-N 3.5Å; E357-A359 PolarHBondContact O-N 3.37Å; E357-K365 IonicContact OE1-NZ 3.63Å; E357-K365 PolarHBondContact OE1-NZ 3.46Å; E357-K365 IonicContact OE2-NZ 3.85Å; E357-K365 PolarHBondContact OE2-NZ 2.96Å | ||
| 358 | N | 93.4 | Very high | 80.3 | Confident | 73 Ų | 73 | 84.3 Ų | 84.3 | 39% | 0.39 | 46% | 0.458 | S | S | . | . | trans | -48.3 | 130.2 | 177.5 | -73 | -91.9 | 0 | 0 | 0 | 112.6 | R360 L361 T362 D387 | N358-R360 PolarHBondContact O-N 3.49Å; N358-R360 VanDerWaalsContact O-N 3.14Å; N358-L361 HydrophobicContact CB-CB 4.32Å; N358-L361 WeakPolarHBondContact O-CA 3.46Å; N358-L361 WeakPolarHBondContact O-CB 3.2Å; N358-L361 PolarHBondContact O-N 3.33Å; N358-T362 PolarHBondContact O-N 3.27Å; N358-T362 VanDerWaalsContact O-N 3.08Å; N358-D387 VanDerWaalsContact ND2-CB 3.25Å; N358-D387 WeakPolarHBondContact ND2-CB 3.5Å; N358-D387 PolarHBondContact ND2-OD2 2.93Å | ||
| 359 | A | 95.1 | Very high | 82.3 | Confident | 82 Ų | 82 | 86.9 Ų | 86.9 | 68% | 0.678 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -53.6 | -39 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E357 L361 T362 K363 | E357-A359 PolarHBondContact O-N 3.37Å; A359-L361 PolarHBondContact O-N 3.41Å; A359-T362 WeakPolarHBondContact O-CB 3.38Å; A359-T362 PolarHBondContact O-N 3.45Å; A359-K363 WeakPolarHBondContact O-CB 3.48Å; A359-K363 PolarHBondContact O-N 2.83Å |
| 360 | R | 95.4 | Very high | 84.2 | Confident | 193 Ų | 193 | 81.4 Ų | 81.4 | 73% | 0.728 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -59.3 | -41.3 | 174.2 | -67.9 | -176.5 | 176.1 | -168.7 | -2.8 | 112.7 | N358 K363 L364 I391 | N358-R360 PolarHBondContact O-N 3.49Å; N358-R360 VanDerWaalsContact O-N 3.14Å; R360-K363 PolarHBondContact O-N 3.45Å; R360-L364 WeakPolarHBondContact O-CG 3.34Å; R360-L364 PolarHBondContact O-N 3.4Å; R360-I391 HydrophobicContact CB-CD1 4Å |
| 361 | L | 95.9 | Very high | 86.2 | Confident | 2 Ų | 2 | 78 Ų | 78 | 1% | 0.01 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -68 | -40.7 | 176.5 | -170.6 | 70.1 | 0 | 0 | 0 | 111 | N358 A359 L364 K365 F381 R390 I391 L394 | N358-L361 HydrophobicContact CB-CB 4.32Å; N358-L361 WeakPolarHBondContact O-CA 3.46Å; N358-L361 WeakPolarHBondContact O-CB 3.2Å; N358-L361 PolarHBondContact O-N 3.33Å; A359-L361 PolarHBondContact O-N 3.41Å; L361-L364 PolarHBondContact O-N 2.9Å; L361-K365 WeakPolarHBondContact O-CG 3.48Å; L361-K365 PolarHBondContact O-N 2.91Å; L361-F381 HydrophobicContact CD1-CZ 3.96Å; L361-R390 HydrophobicContact CD1-CB 4.06Å; L361-R390 HydrophobicContact CD2-CB 4.39Å; L361-I391 HydrophobicContact CB-CG1 4.1Å; L361-I391 HydrophobicContact CD1-CG1 3.95Å; L361-L394 HydrophobicContact CD1-CD2 4.03Å |
| 362 | T | 95.5 | Very high | 88.2 | Confident | 45 Ų | 45 | 76.6 Ų | 76.6 | 28% | 0.276 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.2 | -42 | 173.4 | -78.2 | 0 | 0 | 0 | 0 | 112.4 | N358 A359 K365 R366 | N358-T362 PolarHBondContact O-N 3.27Å; N358-T362 VanDerWaalsContact O-N 3.08Å; A359-T362 WeakPolarHBondContact O-CB 3.38Å; A359-T362 PolarHBondContact O-N 3.45Å; T362-K365 PolarHBondContact O-N 2.94Å; T362-R366 PolarHBondContact O-N 3.19Å |
| 363 | K | 95.9 | Very high | 90.1 | Very high | 94 Ų | 94 | 68.1 Ų | 68.1 | 41% | 0.409 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.1 | -45.3 | 174.4 | -158 | 173.3 | -173.2 | 173.2 | 0 | 111 | E290 A359 R360 R366 Y367 | E290-K363 IonicContact OE1-NZ 2.65Å; E290-K363 PolarHBondContact OE1-NZ 3Å; A359-K363 WeakPolarHBondContact O-CB 3.48Å; A359-K363 PolarHBondContact O-N 2.83Å; R360-K363 PolarHBondContact O-N 3.45Å; K363-R366 WeakPolarHBondContact O-CB 3.41Å; K363-R366 PolarHBondContact O-N 2.89Å; K363-Y367 HydrophobicContact CG-CE2 3.87Å; K363-Y367 VanDerWaalsContact O-CD2 3.24Å; K363-Y367 WeakPolarHBondContact O-CD2 3.3Å; K363-Y367 PolarHBondContact O-N 3.26Å |
| 364 | L | 96.9 | Very high | 92 | Very high | 12 Ų | 12 | 76.2 Ų | 76.2 | 6% | 0.063 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -65.3 | -43.1 | 175.4 | -70.9 | 166.8 | 0 | 0 | 0 | 113.4 | R360 L361 R366 Y367 A368 I391 L394 K395 L398 L407 | R360-L364 WeakPolarHBondContact O-CG 3.34Å; R360-L364 PolarHBondContact O-N 3.4Å; L361-L364 PolarHBondContact O-N 2.9Å; L364-R366 PolarHBondContact O-N 2.96Å; L364-Y367 HydrophobicContact CD2-CD2 4.37Å; L364-Y367 PolarHBondContact O-N 2.89Å; L364-Y367 VanDerWaalsContact O-N 3.15Å; L364-A368 PolarHBondContact O-N 2.96Å; L364-I391 HydrophobicContact CD1-CB 4.4Å; L364-I391 HydrophobicContact CD1-CG1 4.43Å; L364-I391 HydrophobicContact CD1-CG2 3.86Å; L364-L394 HydrophobicContact CB-CD2 3.48Å; L364-L394 VanDerWaalsContact CB-CD2 3.48Å; L364-L394 HydrophobicContact CB-CG 3.93Å; L364-K395 HydrophobicContact CD1-CG 4.25Å; L364-K395 HydrophobicContact CD2-CG 4.24Å; L364-L398 HydrophobicContact CD2-CD1 3.8Å; L364-L407 HydrophobicContact CD2-CD1 3.52Å |
| 365 | K | 97 | Very high | 93.8 | Very high | 16 Ų | 16 | 72.7 Ų | 72.7 | 7% | 0.07 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.3 | -34.6 | 172.9 | -72.6 | 176.6 | 179.4 | -178.6 | 0 | 111.7 | E357 L361 T362 R369 Y377 L394 | E357-K365 IonicContact OE1-NZ 3.63Å; E357-K365 PolarHBondContact OE1-NZ 3.46Å; E357-K365 IonicContact OE2-NZ 3.85Å; E357-K365 PolarHBondContact OE2-NZ 2.96Å; L361-K365 WeakPolarHBondContact O-CG 3.48Å; L361-K365 PolarHBondContact O-N 2.91Å; T362-K365 PolarHBondContact O-N 2.94Å; K365-R369 VanDerWaalsContact O-CG 3.28Å; K365-R369 WeakPolarHBondContact O-CG 3.38Å; K365-R369 PolarHBondContact O-N 3.26Å; K365-R369 VanDerWaalsContact O-N 3.13Å; K365-Y377 HydrophobicContact CD-CE1 4.44Å; K365-Y377 HydrophobicContact CG-CD1 4.43Å; K365-Y377 HydrophobicContact CG-CE1 3.74Å; K365-L394 HydrophobicContact CG-CD2 3.94Å |
| 366 | R | 96.9 | Very high | 95 | Very high | 150 Ų | 150 | 73 Ų | 73 | 57% | 0.566 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -66.5 | -45.9 | 173.6 | -168.6 | -178.9 | -174.9 | -175.1 | 4.3 | 111.5 | T362 K363 L364 R369 T370 | T362-R366 PolarHBondContact O-N 3.19Å; K363-R366 WeakPolarHBondContact O-CB 3.41Å; K363-R366 PolarHBondContact O-N 2.89Å; L364-R366 PolarHBondContact O-N 2.96Å; R366-R369 PolarHBondContact O-N 3.49Å; R366-T370 WeakPolarHBondContact O-CG2 3.48Å; R366-T370 PolarHBondContact O-N 3.48Å; R366-T370 PolarHBondContact O-OG1 3.34Å |
| 367 | Y | 97.8 | Very high | 95.7 | Very high | 36 Ų | 36 | 68.1 Ų | 68.1 | 14% | 0.141 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.4 | -44.7 | 175.3 | -66.7 | -52.8 | 0 | 0 | 0 | 112.5 | K363 L364 R369 T370 A371 L407 L409 | K363-Y367 HydrophobicContact CG-CE2 3.87Å; K363-Y367 VanDerWaalsContact O-CD2 3.24Å; K363-Y367 WeakPolarHBondContact O-CD2 3.3Å; K363-Y367 PolarHBondContact O-N 3.26Å; L364-Y367 HydrophobicContact CD2-CD2 4.37Å; L364-Y367 PolarHBondContact O-N 2.89Å; L364-Y367 VanDerWaalsContact O-N 3.15Å; Y367-R369 PolarHBondContact O-N 3.26Å; Y367-T370 WeakPolarHBondContact CA-OG1 3.48Å; Y367-T370 PolarHBondContact O-N 2.97Å; Y367-T370 PolarHBondContact O-OG1 2.87Å; Y367-A371 WeakPolarHBondContact O-CB 3.2Å; Y367-A371 PolarHBondContact O-N 3.44Å; Y367-L407 HydrophobicContact CD2-CB 4.23Å; Y367-L407 HydrophobicContact CE2-CB 4.16Å; Y367-L407 PolarHBondContact OH-O 3.05Å; Y367-L409 HydrophobicContact CD1-CD2 3.81Å; Y367-L409 HydrophobicContact CD1-CG 4.45Å; Y367-L409 HydrophobicContact CE1-CD2 3.73Å; Y367-L409 HydrophobicContact CE1-CG 3.93Å |
| 368 | A | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -54.9 | -53 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | L364 T370 A371 G372 L373 L398 | L364-A368 PolarHBondContact O-N 2.96Å; A368-T370 VanDerWaalsContact C-N 3.33Å; A368-T370 PolarHBondContact O-N 2.92Å; A368-A371 PolarHBondContact O-N 2.97Å; A368-G372 PolarHBondContact O-N 3.08Å; A368-L373 CarbonylContact C-O 3.44Å; A368-L373 HydrophobicContact CB-CB 4.18Å; A368-L373 WeakPolarHBondContact O-CA 3.23Å; A368-L373 WeakPolarHBondContact O-CB 3.34Å; A368-L373 PolarHBondContact O-N 2.9Å; A368-L398 HydrophobicContact CB-CD2 3.99Å |
| 369 | R | 96.9 | Very high | 96.3 | Very high | 143 Ų | 143 | 77.8 Ų | 77.8 | 54% | 0.54 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58 | -40.8 | 178.6 | -71.4 | 170.9 | -178 | 170.6 | 3 | 112.6 | Q350 K365 R366 Y367 G372 | Q350-R369 VanDerWaalsContact OE1-NH1 3.09Å; K365-R369 VanDerWaalsContact O-CG 3.28Å; K365-R369 WeakPolarHBondContact O-CG 3.38Å; K365-R369 PolarHBondContact O-N 3.26Å; K365-R369 VanDerWaalsContact O-N 3.13Å; R366-R369 PolarHBondContact O-N 3.49Å; Y367-R369 PolarHBondContact O-N 3.26Å; R369-G372 PolarHBondContact O-N 2.93Å |
| 370 | T | 97.5 | Very high | 96.4 | Very high | 52 Ų | 52 | 75.9 Ų | 75.9 | 32% | 0.319 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -74.9 | -26.2 | -179.8 | 55.1 | 0 | 0 | 0 | 0 | 113.6 | R366 Y367 A368 G372 L409 C412 | R366-T370 WeakPolarHBondContact O-CG2 3.48Å; R366-T370 PolarHBondContact O-N 3.48Å; R366-T370 PolarHBondContact O-OG1 3.34Å; Y367-T370 WeakPolarHBondContact CA-OG1 3.48Å; Y367-T370 PolarHBondContact O-N 2.97Å; Y367-T370 PolarHBondContact O-OG1 2.87Å; A368-T370 VanDerWaalsContact C-N 3.33Å; A368-T370 PolarHBondContact O-N 2.92Å; T370-G372 PolarHBondContact O-N 3.39Å; T370-L409 HydrophobicContact CG2-CD2 4.25Å; T370-C412 WeakPolarHBondContact OG1-CB 3.47Å |
| 371 | A | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -1.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y367 A368 L373 L403 C412 | Y367-A371 WeakPolarHBondContact O-CB 3.2Å; Y367-A371 PolarHBondContact O-N 3.44Å; A368-A371 PolarHBondContact O-N 2.97Å; A371-L373 VanDerWaalsContact C-N 3.28Å; A371-L373 HydrophobicContact CB-CD1 4.08Å; A371-L373 HydrophobicContact CB-CG 4.2Å; A371-L403 HydrophobicContact CB-CD1 3.91Å; A371-C412 HydrophobicContact CB-CB 4.1Å |
| 372 | G | 96.3 | Very high | 96.5 | Very high | 55 Ų | 55 | 71.3 Ų | 71.3 | 57% | 0.567 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.7 | 4.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | A368 R369 T370 | A368-G372 PolarHBondContact O-N 3.08Å; R369-G372 PolarHBondContact O-N 2.93Å; T370-G372 PolarHBondContact O-N 3.39Å |
| 373 | L | 96.3 | Very high | 96.5 | Very high | 6 Ų | 6 | 76.4 Ų | 76.4 | 3% | 0.031 | 36% | 0.364 | C | S | . | . | trans | -78 | 134.6 | 178.2 | -63.4 | 166.1 | 0 | 0 | 0 | 110.8 | A368 A371 P375 Y397 L398 N401 L403 | A368-L373 CarbonylContact C-O 3.44Å; A368-L373 HydrophobicContact CB-CB 4.18Å; A368-L373 WeakPolarHBondContact O-CA 3.23Å; A368-L373 WeakPolarHBondContact O-CB 3.34Å; A368-L373 PolarHBondContact O-N 2.9Å; A371-L373 VanDerWaalsContact C-N 3.28Å; A371-L373 HydrophobicContact CB-CD1 4.08Å; A371-L373 HydrophobicContact CB-CG 4.2Å; L373-P375 VanDerWaalsContact C-CD 3.47Å; L373-Y397 HydrophobicContact CB-CE1 4.25Å; L373-Y397 HydrophobicContact CD1-CE1 4.23Å; L373-Y397 HydrophobicContact CD2-CE1 4.26Å; L373-Y397 HydrophobicContact CG-CE1 4.5Å; L373-L398 HydrophobicContact CD1-CD2 3.69Å; L373-N401 HydrophobicContact CD1-CB 3.84Å; L373-N401 HydrophobicContact CD2-CB 3.98Å; L373-N401 WeakPolarHBondContact CD2-OD1 3.34Å; L373-L403 HydrophobicContact CD1-CD1 4.13Å | ||
| 374 | R | 94.9 | Very high | 96.5 | Very high | 231 Ų | 231 | 72.7 Ų | 72.7 | 87% | 0.872 | 35% | 0.349 | S | S | * | . | trans | -130.4 | 63.4 | 176.5 | -64.5 | -173.3 | 176.6 | -164.7 | -1.1 | 110.9 | ||||
| 375 | P | 95.4 | Very high | 96.4 | Very high | 14 Ų | 14 | 76.3 Ų | 76.3 | 9% | 0.091 | 38% | 0.382 | C | S | . | . | trans | -60.7 | 146.7 | 176.8 | 25.3 | -33.3 | 0 | 0 | 0 | 111.2 | L373 Y377 M380 Y397 | L373-P375 VanDerWaalsContact C-CD 3.47Å; P375-Y377 VanDerWaalsContact C-N 3.31Å; P375-Y377 HydrophobicContact CG-CD1 4.29Å; P375-Y377 HydrophobicContact CG-CE1 3.7Å; P375-Y377 HydrophobicContact CG-CE2 4.36Å; P375-Y377 WeakPolarHBondContact O-CD2 3.31Å; P375-Y377 PolarHBondContact O-N 3.42Å; P375-M380 HydrophobicContact CB-SD 4.2Å; P375-Y397 HydrophobicContact CB-CD1 4.16Å; P375-Y397 HydrophobicContact CB-CE1 3.63Å; P375-Y397 HydrophobicContact CB-CE2 4.38Å; P375-Y397 HydrophobicContact CG-CD1 4.14Å; P375-Y397 HydrophobicContact CG-CE1 3.67Å | ||
| 376 | I | 96.5 | Very high | 96.3 | Very high | 108 Ų | 108 | 78.8 Ų | 78.8 | 55% | 0.554 | 40% | 0.398 | S | S | * | . | trans | -80.4 | 84.1 | 174.1 | -54.4 | 175.8 | 0 | 0 | 0 | 107.6 | K378 K379 M380 | I376-K378 PolarHBondContact O-N 3.43Å; I376-K379 HydrophobicContact CB-CB 4.5Å; I376-K379 HydrophobicContact CB-CD 4.49Å; I376-K379 HydrophobicContact CB-CG 4.43Å; I376-K379 HydrophobicContact CD1-CD 4.43Å; I376-K379 HydrophobicContact CG2-CB 4.34Å; I376-K379 HydrophobicContact CG2-CD 4.23Å; I376-K379 HydrophobicContact CG2-CG 3.9Å; I376-K379 PolarHBondContact O-N 2.99Å; I376-M380 PolarHBondContact O-N 3.25Å | ||
| 377 | Y | 96.2 | Very high | 96.3 | Very high | 49 Ų | 49 | 74.1 Ų | 74.1 | 19% | 0.192 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -49.1 | -35.5 | -175.8 | -61.7 | -73.3 | 0 | 0 | 0 | 114 | K365 P375 K379 M380 F381 L394 | K365-Y377 HydrophobicContact CD-CE1 4.44Å; K365-Y377 HydrophobicContact CG-CD1 4.43Å; K365-Y377 HydrophobicContact CG-CE1 3.74Å; P375-Y377 VanDerWaalsContact C-N 3.31Å; P375-Y377 HydrophobicContact CG-CD1 4.29Å; P375-Y377 HydrophobicContact CG-CE1 3.7Å; P375-Y377 HydrophobicContact CG-CE2 4.36Å; P375-Y377 WeakPolarHBondContact O-CD2 3.31Å; P375-Y377 PolarHBondContact O-N 3.42Å; Y377-K379 VanDerWaalsContact C-N 3.3Å; Y377-K379 PolarHBondContact O-N 2.79Å; Y377-M380 HydrophobicContact CD1-CE 3.89Å; Y377-M380 HydrophobicContact CE1-CE 4.31Å; Y377-M380 PolarHBondContact O-N 3.5Å; Y377-F381 AromaticContact CD1-CE2 3.71Å; Y377-F381 HydrophobicContact CD1-CE2 3.71Å; Y377-F381 AromaticContact CD1-CZ 3.9Å; Y377-F381 HydrophobicContact CD1-CZ 3.9Å; Y377-F381 HydrophobicContact CG-CE2 4.21Å; Y377-F381 WeakPolarHBondContact O-CB 3.33Å; Y377-F381 VanDerWaalsContact O-CD2 3.31Å; Y377-F381 WeakPolarHBondContact O-CD2 3.42Å; Y377-F381 WeakPolarHBondContact O-CG 3.41Å; Y377-F381 PolarHBondContact O-N 2.95Å; Y377-L394 HydrophobicContact CE1-CD1 4.26Å; Y377-L394 HydrophobicContact CE1-CD2 4.38Å |
| 378 | K | 95.5 | Very high | 96.2 | Very high | 191 Ų | 191 | 80.9 Ų | 80.9 | 83% | 0.83 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -61.1 | -32.9 | 176.7 | -67.2 | -169.8 | 176.4 | -170.5 | 0 | 114 | I376 | I376-K378 PolarHBondContact O-N 3.43Å |
| 379 | K | 96.6 | Very high | 96.2 | Very high | 155 Ų | 155 | 84.9 Ų | 84.9 | 67% | 0.674 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -82.4 | -46.6 | 177.3 | -67.3 | -172.4 | 175.1 | -167.6 | 0 | 110.7 | I376 Y377 F381 A382 | I376-K379 HydrophobicContact CB-CB 4.5Å; I376-K379 HydrophobicContact CB-CD 4.49Å; I376-K379 HydrophobicContact CB-CG 4.43Å; I376-K379 HydrophobicContact CD1-CD 4.43Å; I376-K379 HydrophobicContact CG2-CB 4.34Å; I376-K379 HydrophobicContact CG2-CD 4.23Å; I376-K379 HydrophobicContact CG2-CG 3.9Å; I376-K379 PolarHBondContact O-N 2.99Å; Y377-K379 VanDerWaalsContact C-N 3.3Å; Y377-K379 PolarHBondContact O-N 2.79Å; K379-F381 PolarHBondContact O-N 2.91Å; K379-A382 VanDerWaalsContact O-CB 3.31Å; K379-A382 WeakPolarHBondContact O-CB 3.38Å; K379-A382 PolarHBondContact O-N 3.46Å; K379-A382 VanDerWaalsContact O-N 3.16Å |
| 380 | M | 96.1 | Very high | 96.3 | Very high | 42 Ų | 42 | 81.8 Ų | 81.8 | 21% | 0.207 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -65.4 | -24.3 | -178.6 | -170.2 | -179.8 | 77.6 | 0 | 0 | 113.7 | P375 I376 Y377 L394 Y397 | P375-M380 HydrophobicContact CB-SD 4.2Å; I376-M380 PolarHBondContact O-N 3.25Å; Y377-M380 HydrophobicContact CD1-CE 3.89Å; Y377-M380 HydrophobicContact CE1-CE 4.31Å; Y377-M380 PolarHBondContact O-N 3.5Å; M380-L394 HydrophobicContact CE-CB 3.98Å; M380-L394 HydrophobicContact CE-CD1 3.71Å; M380-L394 HydrophobicContact CE-CG 4.32Å; M380-L394 HydrophobicContact SD-CD1 4.49Å; M380-Y397 HydrophobicContact SD-CD1 4.46Å; M380-Y397 HydrophobicContact SD-CD2 4.48Å; M380-Y397 HydrophobicContact SD-CG 4.05Å |
| 381 | F | 96.6 | Very high | 96.3 | Very high | 28 Ų | 28 | 80.8 Ų | 80.8 | 12% | 0.123 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | 10.2 | 175.9 | -56.1 | -33.9 | 0 | 0 | 0 | 113.8 | L361 Y377 K379 C384 R390 L394 | L361-F381 HydrophobicContact CD1-CZ 3.96Å; Y377-F381 AromaticContact CD1-CE2 3.71Å; Y377-F381 HydrophobicContact CD1-CE2 3.71Å; Y377-F381 AromaticContact CD1-CZ 3.9Å; Y377-F381 HydrophobicContact CD1-CZ 3.9Å; Y377-F381 HydrophobicContact CG-CE2 4.21Å; Y377-F381 WeakPolarHBondContact O-CB 3.33Å; Y377-F381 VanDerWaalsContact O-CD2 3.31Å; Y377-F381 WeakPolarHBondContact O-CD2 3.42Å; Y377-F381 WeakPolarHBondContact O-CG 3.41Å; Y377-F381 PolarHBondContact O-N 2.95Å; K379-F381 PolarHBondContact O-N 2.91Å; F381-C384 HydrophobicContact CB-CB 4.39Å; F381-C384 PolarHBondContact O-N 3.01Å; F381-R390 HydrophobicContact CB-CG 4.18Å; F381-R390 HydrophobicContact CD1-CB 3.75Å; F381-R390 HydrophobicContact CD1-CG 3.71Å; F381-R390 HydrophobicContact CE1-CB 3.69Å; F381-R390 HydrophobicContact CE1-CG 4.18Å; F381-R390 WeakPolarHBondContact CE1-O 3.38Å; F381-R390 HydrophobicContact CG-CB 4.32Å; F381-R390 HydrophobicContact CG-CG 3.91Å; F381-R390 HydrophobicContact CZ-CB 4.21Å; F381-L394 HydrophobicContact CE1-CB 4.41Å; F381-L394 HydrophobicContact CZ-CD2 4.45Å |
| 382 | A | 96.1 | Very high | 96.3 | Very high | 70 Ų | 70 | 86.5 Ų | 86.5 | 58% | 0.579 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -45.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | K379 C384 | K379-A382 VanDerWaalsContact O-CB 3.31Å; K379-A382 WeakPolarHBondContact O-CB 3.38Å; K379-A382 PolarHBondContact O-N 3.46Å; K379-A382 VanDerWaalsContact O-N 3.16Å; A382-C384 VanDerWaalsContact C-N 3.3Å; A382-C384 PolarHBondContact O-N 2.87Å |
| 383 | D | 95.4 | Very high | 96.3 | Very high | 152 Ų | 152 | 85.1 Ų | 85.1 | 81% | 0.813 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | 5.2 | -178.4 | -44.4 | -58.5 | 0 | 0 | 0 | 112.9 | ||
| 384 | C | 96.4 | Very high | 96.4 | Very high | 16 Ų | 16 | 84.8 Ų | 84.8 | 11% | 0.108 | 42% | 0.422 | C | S | . | . | trans | -101.2 | 94.9 | -175.5 | -67.6 | 0 | 0 | 0 | 0 | 111.9 | F381 A382 Q389 R390 | F381-C384 HydrophobicContact CB-CB 4.39Å; F381-C384 PolarHBondContact O-N 3.01Å; A382-C384 VanDerWaalsContact C-N 3.3Å; A382-C384 PolarHBondContact O-N 2.87Å; C384-Q389 HydrophobicContact CB-CB 4.09Å; C384-R390 HydrophobicContact CB-CG 3.5Å; C384-R390 PolarHBondContact O-NE 2.65Å | ||
| 385 | A | 95.1 | Very high | 96.5 | Very high | 89 Ų | 89 | 78.5 Ų | 78.5 | 74% | 0.736 | 40% | 0.401 | S | S | * | . | trans | -66.5 | -37.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | Q389 | A385-Q389 VanDerWaalsContact N-OE1 3.15Š| ||
| 386 | T | 96 | Very high | 96.5 | Very high | 67 Ų | 67 | 81.2 Ų | 81.2 | 41% | 0.411 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -111.5 | 151.4 | -175.5 | 66.3 | 0 | 0 | 0 | 0 | 113 | K388 Q389 R390 | T386-K388 PolarHBondContact O-N 3.29Å; T386-Q389 WeakPolarHBondContact O-CB 3.43Å; T386-Q389 PolarHBondContact O-N 3.06Å; T386-Q389 VanDerWaalsContact O-N 3.15Å; T386-Q389 VanDerWaalsContact OG1-CD 3.27Å; T386-Q389 VanDerWaalsContact OG1-CG 3.31Å; T386-Q389 WeakPolarHBondContact OG1-CG 3.27Å; T386-Q389 PolarHBondContact OG1-N 2.82Å; T386-Q389 PolarHBondContact OG1-OE1 2.95Å; T386-R390 PolarHBondContact O-N 2.65Å; T386-R390 VanDerWaalsContact O-N 3.09Å |
| 387 | D | 95.6 | Very high | 96.5 | Very high | 52 Ų | 52 | 78.7 Ų | 78.7 | 28% | 0.278 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -67.3 | -23.7 | 176.2 | -70.1 | -52.3 | 0 | 0 | 0 | 113.5 | N358 R390 I391 | N358-D387 VanDerWaalsContact ND2-CB 3.25Å; N358-D387 WeakPolarHBondContact ND2-CB 3.5Å; N358-D387 PolarHBondContact ND2-OD2 2.93Å; D387-R390 PolarHBondContact O-N 3.01Å; D387-R390 WeakPolarHBondContact OD1-CD 3.35Å; D387-R390 IonicContact OD1-CZ 3.17Å; D387-R390 IonicContact OD1-NE 2.65Å; D387-R390 IonicContact OD1-NH1 2.69Å; D387-R390 PolarHBondContact OD1-NH1 3.2Å; D387-I391 WeakPolarHBondContact O-CB 3.48Å; D387-I391 VanDerWaalsContact O-CG1 3.28Å; D387-I391 WeakPolarHBondContact O-CG1 3.27Å; D387-I391 PolarHBondContact O-N 3.48Å |
| 388 | K | 96.9 | Very high | 96.6 | Very high | 179 Ų | 179 | 76.4 Ų | 76.4 | 78% | 0.778 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -61.2 | -47.1 | 169.7 | -68.5 | -174.3 | 179.2 | -177.8 | 0 | 110.8 | T386 R390 I391 Q392 | T386-K388 PolarHBondContact O-N 3.29Å; K388-R390 PolarHBondContact O-N 3.07Å; K388-I391 PolarHBondContact O-N 2.91Å; K388-Q392 PolarHBondContact O-N 2.88Å |
| 389 | Q | 97.4 | Very high | 96.7 | Very high | 83 Ų | 83 | 72 Ų | 72 | 39% | 0.388 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 173.8 | -70.8 | 160.4 | -30.7 | 0 | 0 | 111.7 | C384 A385 T386 I391 Q392 A393 | C384-Q389 HydrophobicContact CB-CB 4.09Å; A385-Q389 VanDerWaalsContact N-OE1 3.15Å; T386-Q389 WeakPolarHBondContact O-CB 3.43Å; T386-Q389 PolarHBondContact O-N 3.06Å; T386-Q389 VanDerWaalsContact O-N 3.15Å; T386-Q389 VanDerWaalsContact OG1-CD 3.27Å; T386-Q389 VanDerWaalsContact OG1-CG 3.31Å; T386-Q389 WeakPolarHBondContact OG1-CG 3.27Å; T386-Q389 PolarHBondContact OG1-N 2.82Å; T386-Q389 PolarHBondContact OG1-OE1 2.95Å; Q389-I391 VanDerWaalsContact C-N 3.35Å; Q389-I391 PolarHBondContact O-N 2.88Å; Q389-Q392 PolarHBondContact O-N 2.81Å; Q389-A393 WeakPolarHBondContact O-CB 3.49Å; Q389-A393 PolarHBondContact O-N 3.14Å |
| 390 | R | 97.7 | Very high | 96.6 | Very high | 79 Ų | 79 | 71.6 Ų | 71.6 | 30% | 0.298 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.2 | -40.2 | 176.5 | -62.7 | 179.8 | -171 | 152.9 | -3.4 | 112.7 | L361 F381 C384 T386 D387 K388 L394 | L361-R390 HydrophobicContact CD1-CB 4.06Å; L361-R390 HydrophobicContact CD2-CB 4.39Å; F381-R390 HydrophobicContact CB-CG 4.18Å; F381-R390 HydrophobicContact CD1-CB 3.75Å; F381-R390 HydrophobicContact CD1-CG 3.71Å; F381-R390 HydrophobicContact CE1-CB 3.69Å; F381-R390 HydrophobicContact CE1-CG 4.18Å; F381-R390 WeakPolarHBondContact CE1-O 3.38Å; F381-R390 HydrophobicContact CG-CB 4.32Å; F381-R390 HydrophobicContact CG-CG 3.91Å; F381-R390 HydrophobicContact CZ-CB 4.21Å; C384-R390 HydrophobicContact CB-CG 3.5Å; C384-R390 PolarHBondContact O-NE 2.65Å; T386-R390 PolarHBondContact O-N 2.65Å; T386-R390 VanDerWaalsContact O-N 3.09Å; D387-R390 PolarHBondContact O-N 3.01Å; D387-R390 WeakPolarHBondContact OD1-CD 3.35Å; D387-R390 IonicContact OD1-CZ 3.17Å; D387-R390 IonicContact OD1-NE 2.65Å; D387-R390 IonicContact OD1-NH1 2.69Å; D387-R390 PolarHBondContact OD1-NH1 3.2Å; K388-R390 PolarHBondContact O-N 3.07Å; R390-L394 WeakPolarHBondContact O-CB 3.29Å; R390-L394 PolarHBondContact O-N 3.25Å |
| 391 | I | 97.3 | Very high | 96.6 | Very high | 31 Ų | 31 | 71.3 Ų | 71.3 | 16% | 0.159 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.1 | -44 | 175.1 | -74.8 | 167.8 | 0 | 0 | 0 | 110.4 | R360 L361 L364 D387 K388 Q389 L394 K395 | R360-I391 HydrophobicContact CB-CD1 4Å; L361-I391 HydrophobicContact CB-CG1 4.1Å; L361-I391 HydrophobicContact CD1-CG1 3.95Å; L364-I391 HydrophobicContact CD1-CB 4.4Å; L364-I391 HydrophobicContact CD1-CG1 4.43Å; L364-I391 HydrophobicContact CD1-CG2 3.86Å; D387-I391 WeakPolarHBondContact O-CB 3.48Å; D387-I391 VanDerWaalsContact O-CG1 3.28Å; D387-I391 WeakPolarHBondContact O-CG1 3.27Å; D387-I391 PolarHBondContact O-N 3.48Å; K388-I391 PolarHBondContact O-N 2.91Å; Q389-I391 VanDerWaalsContact C-N 3.35Å; Q389-I391 PolarHBondContact O-N 2.88Å; I391-L394 PolarHBondContact O-N 3.03Å; I391-K395 WeakPolarHBondContact O-CG 3.47Å; I391-K395 PolarHBondContact O-N 2.99Å |
| 392 | Q | 97 | Very high | 96.5 | Very high | 119 Ų | 119 | 72 Ų | 72 | 56% | 0.556 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -65.7 | -49.8 | 178 | -172 | 175.8 | 3.6 | 0 | 0 | 112 | K388 Q389 L394 K395 N396 | K388-Q392 PolarHBondContact O-N 2.88Å; Q389-Q392 PolarHBondContact O-N 2.81Å; Q392-L394 VanDerWaalsContact C-N 3.26Å; Q392-L394 PolarHBondContact O-N 3.46Å; Q392-K395 WeakPolarHBondContact O-CB 3.43Å; Q392-K395 PolarHBondContact O-N 3.1Å; Q392-N396 PolarHBondContact O-N 3.2Å; Q392-N396 PolarHBondContact O-OD1 2.94Å; Q392-N396 VanDerWaalsContact O-OD1 3.05Å |
| 393 | A | 97.4 | Very high | 96.4 | Very high | 26 Ų | 26 | 68.7 Ų | 68.7 | 22% | 0.215 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -56.2 | -40.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q389 Y397 | Q389-A393 WeakPolarHBondContact O-CB 3.49Å; Q389-A393 PolarHBondContact O-N 3.14Å; A393-Y397 WeakPolarHBondContact O-CB 3.41Å; A393-Y397 PolarHBondContact O-N 2.97Å |
| 394 | L | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -72.9 | -30.9 | 175.8 | -174.2 | 53.1 | 0 | 0 | 0 | 113.1 | L361 L364 K365 Y377 M380 F381 R390 I391 Q392 Y397 L398 | L361-L394 HydrophobicContact CD1-CD2 4.03Å; L364-L394 HydrophobicContact CB-CD2 3.48Å; L364-L394 VanDerWaalsContact CB-CD2 3.48Å; L364-L394 HydrophobicContact CB-CG 3.93Å; K365-L394 HydrophobicContact CG-CD2 3.94Å; Y377-L394 HydrophobicContact CE1-CD1 4.26Å; Y377-L394 HydrophobicContact CE1-CD2 4.38Å; M380-L394 HydrophobicContact CE-CB 3.98Å; M380-L394 HydrophobicContact CE-CD1 3.71Å; M380-L394 HydrophobicContact CE-CG 4.32Å; M380-L394 HydrophobicContact SD-CD1 4.49Å; F381-L394 HydrophobicContact CE1-CB 4.41Å; F381-L394 HydrophobicContact CZ-CD2 4.45Å; R390-L394 WeakPolarHBondContact O-CB 3.29Å; R390-L394 PolarHBondContact O-N 3.25Å; I391-L394 PolarHBondContact O-N 3.03Å; Q392-L394 VanDerWaalsContact C-N 3.26Å; Q392-L394 PolarHBondContact O-N 3.46Å; L394-Y397 HydrophobicContact CD1-CD1 4.4Å; L394-L398 WeakPolarHBondContact O-CD1 3.36Å; L394-L398 WeakPolarHBondContact O-CG 3.37Å; L394-L398 PolarHBondContact O-N 3.26Å |
| 395 | K | 96.8 | Very high | 96.2 | Very high | 99 Ų | 99 | 68.4 Ų | 68.4 | 43% | 0.43 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -65.5 | -52.7 | 171 | -79.7 | -176.9 | 173.4 | -169.2 | 0 | 111.1 | L364 I391 Q392 Y397 L398 E399 | L364-K395 HydrophobicContact CD1-CG 4.25Å; L364-K395 HydrophobicContact CD2-CG 4.24Å; I391-K395 WeakPolarHBondContact O-CG 3.47Å; I391-K395 PolarHBondContact O-N 2.99Å; Q392-K395 WeakPolarHBondContact O-CB 3.43Å; Q392-K395 PolarHBondContact O-N 3.1Å; K395-Y397 VanDerWaalsContact C-N 3.29Å; K395-Y397 PolarHBondContact O-N 3.41Å; K395-L398 WeakPolarHBondContact O-CA 3.45Å; K395-L398 WeakPolarHBondContact O-CB 3.45Å; K395-L398 PolarHBondContact O-N 2.99Å; K395-E399 PolarHBondContact O-N 3.39Å |
| 396 | N | 96.6 | Very high | 96.1 | Very high | 71 Ų | 71 | 72.8 Ų | 72.8 | 38% | 0.38 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -53.4 | -47.5 | 178.4 | -64.2 | 16.1 | 0 | 0 | 0 | 110.8 | Q392 L398 E399 E400 | Q392-N396 PolarHBondContact O-N 3.2Å; Q392-N396 PolarHBondContact O-OD1 2.94Å; Q392-N396 VanDerWaalsContact O-OD1 3.05Å; N396-L398 VanDerWaalsContact C-N 3.29Å; N396-L398 PolarHBondContact O-N 3.28Å; N396-E399 PolarHBondContact O-N 3.39Å; N396-E399 VanDerWaalsContact O-N 3.12Å; N396-E400 WeakPolarHBondContact O-CG 3.42Å; N396-E400 PolarHBondContact O-N 3.03Å |
| 397 | Y | 97.1 | Very high | 96.1 | Very high | 55 Ų | 55 | 71.3 Ų | 71.3 | 22% | 0.216 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60 | -33.5 | 176.3 | 179.1 | -98.3 | 0 | 0 | 0 | 113.9 | L373 P375 M380 A393 L394 K395 N401 | L373-Y397 HydrophobicContact CB-CE1 4.25Å; L373-Y397 HydrophobicContact CD1-CE1 4.23Å; L373-Y397 HydrophobicContact CD2-CE1 4.26Å; L373-Y397 HydrophobicContact CG-CE1 4.5Å; P375-Y397 HydrophobicContact CB-CD1 4.16Å; P375-Y397 HydrophobicContact CB-CE1 3.63Å; P375-Y397 HydrophobicContact CB-CE2 4.38Å; P375-Y397 HydrophobicContact CG-CD1 4.14Å; P375-Y397 HydrophobicContact CG-CE1 3.67Å; M380-Y397 HydrophobicContact SD-CD1 4.46Å; M380-Y397 HydrophobicContact SD-CD2 4.48Å; M380-Y397 HydrophobicContact SD-CG 4.05Å; A393-Y397 WeakPolarHBondContact O-CB 3.41Å; A393-Y397 PolarHBondContact O-N 2.97Å; L394-Y397 HydrophobicContact CD1-CD1 4.4Å; K395-Y397 VanDerWaalsContact C-N 3.29Å; K395-Y397 PolarHBondContact O-N 3.41Å; Y397-N401 WeakPolarHBondContact CE2-ND2 3.28Å; Y397-N401 WeakPolarHBondContact O-CB 3.46Å; Y397-N401 PolarHBondContact O-N 3.42Å; Y397-N401 PolarHBondContact O-ND2 3.31Å |
| 398 | L | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -72.7 | -41 | 175.2 | -67.5 | 167.8 | 0 | 0 | 0 | 110.9 | L364 A368 L373 L394 K395 N396 N401 G402 L403 L407 | L364-L398 HydrophobicContact CD2-CD1 3.8Å; A368-L398 HydrophobicContact CB-CD2 3.99Å; L373-L398 HydrophobicContact CD1-CD2 3.69Å; L394-L398 WeakPolarHBondContact O-CD1 3.36Å; L394-L398 WeakPolarHBondContact O-CG 3.37Å; L394-L398 PolarHBondContact O-N 3.26Å; K395-L398 WeakPolarHBondContact O-CA 3.45Å; K395-L398 WeakPolarHBondContact O-CB 3.45Å; K395-L398 PolarHBondContact O-N 2.99Å; N396-L398 VanDerWaalsContact C-N 3.29Å; N396-L398 PolarHBondContact O-N 3.28Å; L398-N401 CarbonylContact O-C 3.57Å; L398-N401 WeakPolarHBondContact O-CA 3.32Å; L398-N401 PolarHBondContact O-N 3.39Å; L398-N401 VanDerWaalsContact O-N 3.1Å; L398-G402 PolarHBondContact O-N 2.96Å; L398-L403 HydrophobicContact CB-CB 4.09Å; L398-L403 HydrophobicContact CB-CD1 4.03Å; L398-L403 HydrophobicContact CD2-CD1 3.48Å; L398-L403 VanDerWaalsContact CD2-CD1 3.48Å; L398-L403 HydrophobicContact CG-CD1 4.27Å; L398-L403 WeakPolarHBondContact O-CB 3.33Å; L398-L403 PolarHBondContact O-N 3.44Å; L398-L407 HydrophobicContact CD1-CD1 4.17Å |
| 399 | E | 96.6 | Very high | 96.1 | Very high | 100 Ų | 100 | 66.4 Ų | 66.4 | 47% | 0.467 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64 | -46.9 | 177.6 | -70.4 | 169.6 | -157.8 | 0 | 0 | 111.9 | K395 N396 N401 G402 | K395-E399 PolarHBondContact O-N 3.39Å; N396-E399 PolarHBondContact O-N 3.39Å; N396-E399 VanDerWaalsContact O-N 3.12Å; E399-N401 PolarHBondContact O-N 3.38Å; E399-N401 VanDerWaalsContact O-N 3.1Å; E399-G402 PolarHBondContact O-N 2.89Å |
| 400 | E | 96.1 | Very high | 96 | Very high | 146 Ų | 146 | 67.3 Ų | 67.3 | 68% | 0.682 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -52.1 | -30.9 | 169.3 | -73.2 | 164.8 | -159.8 | 0 | 0 | 112.7 | N396 | N396-E400 WeakPolarHBondContact O-CG 3.42Å; N396-E400 PolarHBondContact O-N 3.03Å |
| 401 | N | 95.5 | Very high | 96 | Very high | 36 Ų | 36 | 65.9 Ų | 65.9 | 19% | 0.193 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 8.3 | -179.6 | -85.3 | -85.2 | 0 | 0 | 0 | 114 | L373 Y397 L398 E399 R419 | L373-N401 HydrophobicContact CD1-CB 3.84Å; L373-N401 HydrophobicContact CD2-CB 3.98Å; L373-N401 WeakPolarHBondContact CD2-OD1 3.34Å; Y397-N401 WeakPolarHBondContact CE2-ND2 3.28Å; Y397-N401 WeakPolarHBondContact O-CB 3.46Å; Y397-N401 PolarHBondContact O-N 3.42Å; Y397-N401 PolarHBondContact O-ND2 3.31Å; L398-N401 CarbonylContact O-C 3.57Å; L398-N401 WeakPolarHBondContact O-CA 3.32Å; L398-N401 PolarHBondContact O-N 3.39Å; L398-N401 VanDerWaalsContact O-N 3.1Å; E399-N401 PolarHBondContact O-N 3.38Å; E399-N401 VanDerWaalsContact O-N 3.1Å; N401-R419 VanDerWaalsContact CB-NH2 3.28Å; N401-R419 PolarHBondContact O-NH2 3.09Å; N401-R419 PolarHBondContact OD1-NH1 2.85Å; N401-R419 PolarHBondContact OD1-NH2 3.14Å |
| 402 | G | 94.4 | Very high | 96 | Very high | 41 Ų | 41 | 64.4 Ų | 64.4 | 42% | 0.423 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.4 | 8.7 | 175 | 0 | 0 | 0 | 0 | 0 | 115.4 | L398 E399 T404 I415 | L398-G402 PolarHBondContact O-N 2.96Å; E399-G402 PolarHBondContact O-N 2.89Å; G402-T404 VanDerWaalsContact C-N 3.29Å; G402-T404 PolarHBondContact O-N 3.43Å; G402-I415 WeakPolarHBondContact O-CD1 3.3Å |
| 403 | L | 95.1 | Very high | 96 | Very high | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | trans | -89 | 63 | 174 | -70.5 | 162.2 | 0 | 0 | 0 | 110.9 | A371 L373 L398 L407 L411 I415 | A371-L403 HydrophobicContact CB-CD1 3.91Å; L373-L403 HydrophobicContact CD1-CD1 4.13Å; L398-L403 HydrophobicContact CB-CB 4.09Å; L398-L403 HydrophobicContact CB-CD1 4.03Å; L398-L403 HydrophobicContact CD2-CD1 3.48Å; L398-L403 VanDerWaalsContact CD2-CD1 3.48Å; L398-L403 HydrophobicContact CG-CD1 4.27Å; L398-L403 WeakPolarHBondContact O-CB 3.33Å; L398-L403 PolarHBondContact O-N 3.44Å; L403-L407 HydrophobicContact CB-CD2 3.78Å; L403-L411 HydrophobicContact CD2-CB 4.48Å; L403-L411 HydrophobicContact CD2-CD2 3.93Å; L403-L411 HydrophobicContact CD2-CG 3.91Å; L403-I415 HydrophobicContact CD2-CD1 3.59Å; L403-I415 HydrophobicContact CG-CD1 3.8Å | ||
| 404 | T | 93.4 | Very high | 96 | Very high | 99 Ų | 99 | 68.9 Ų | 68.9 | 61% | 0.607 | 36% | 0.359 | S | S | * | . | trans | -80.8 | 148.3 | 178 | 53.5 | 0 | 0 | 0 | 0 | 112.1 | G402 | G402-T404 VanDerWaalsContact C-N 3.29Å; G402-T404 PolarHBondContact O-N 3.43Å | ||
| 405 | G | 92.7 | Very high | 96 | Very high | 64 Ų | 64 | 70 Ų | 70 | 66% | 0.66 | 36% | 0.364 | S | S | * | . | S | Bend | trans | 78.9 | -148.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | L407 | G405-L407 PolarHBondContact O-N 3.3Š|
| 406 | K | 94.2 | Very high | 96 | Very high | 180 Ų | 180 | 66.7 Ų | 66.7 | 78% | 0.783 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -68.9 | 103.2 | -174.3 | -168.5 | 168.8 | -175.7 | 168.9 | 0 | 111.1 | T408 | K406-T408 HydrophobicContact CG-CG2 4.43Å; K406-T408 PolarHBondContact O-N 3.32Å |
| 407 | L | 94.8 | Very high | 96 | Very high | 37 Ų | 37 | 70.4 Ų | 70.4 | 19% | 0.194 | 37% | 0.368 | C | S | . | . | trans | -59.8 | 102.4 | 178.9 | -66.1 | 174.7 | 0 | 0 | 0 | 111.6 | L364 Y367 L398 L403 G405 | L364-L407 HydrophobicContact CD2-CD1 3.52Å; Y367-L407 HydrophobicContact CD2-CB 4.23Å; Y367-L407 HydrophobicContact CE2-CB 4.16Å; Y367-L407 PolarHBondContact OH-O 3.05Å; L398-L407 HydrophobicContact CD1-CD1 4.17Å; L403-L407 HydrophobicContact CB-CD2 3.78Å; G405-L407 PolarHBondContact O-N 3.3Å | ||
| 408 | T | 96.6 | Very high | 96 | Very high | 61 Ų | 61 | 74.2 Ų | 74.2 | 37% | 0.374 | 39% | 0.386 | S | S | . | . | trans | -117.7 | 152.2 | 177.1 | 55.5 | 0 | 0 | 0 | 0 | 111.1 | K406 E410 L411 C412 | K406-T408 HydrophobicContact CG-CG2 4.43Å; K406-T408 PolarHBondContact O-N 3.32Å; T408-E410 PolarHBondContact O-N 3.23Å; T408-L411 PolarHBondContact O-N 2.89Å; T408-L411 WeakPolarHBondContact OG1-CB 3.29Å; T408-L411 PolarHBondContact OG1-N 3.33Å; T408-C412 PolarHBondContact O-N 3.5Å; T408-C412 PolarHBondContact O-SG 2.98Å | ||
| 409 | L | 95.9 | Very high | 96 | Very high | 66 Ų | 66 | 78 Ų | 78 | 35% | 0.346 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.4 | -32.5 | 177 | -71.4 | 174.5 | 0 | 0 | 0 | 112 | Y367 T370 C412 K413 | Y367-L409 HydrophobicContact CD1-CD2 3.81Å; Y367-L409 HydrophobicContact CD1-CG 4.45Å; Y367-L409 HydrophobicContact CE1-CD2 3.73Å; Y367-L409 HydrophobicContact CE1-CG 3.93Å; T370-L409 HydrophobicContact CG2-CD2 4.25Å; L409-C412 PolarHBondContact O-N 2.82Å; L409-K413 WeakPolarHBondContact O-CG 3.42Å; L409-K413 PolarHBondContact O-N 3.26Å |
| 410 | E | 96.6 | Very high | 95.9 | Very high | 102 Ų | 102 | 75.3 Ų | 75.3 | 48% | 0.477 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -68.8 | -38.8 | 177 | -62.2 | -46.8 | 121.8 | 0 | 0 | 112.8 | T408 C412 K413 K414 | T408-E410 PolarHBondContact O-N 3.23Å; E410-C412 VanDerWaalsContact C-N 3.34Å; E410-K413 PolarHBondContact O-N 3.33Å; E410-K413 IonicContact OE1-NZ 3.62Å; E410-K413 PolarHBondContact OE1-NZ 3.38Å; E410-K413 IonicContact OE2-NZ 2.8Å; E410-K414 VanDerWaalsContact O-CG 3.31Å; E410-K414 WeakPolarHBondContact O-CG 3.47Å; E410-K414 PolarHBondContact O-N 3.36Å |
| 411 | L | 96.7 | Very high | 95.9 | Very high | 49 Ų | 49 | 73.1 Ų | 73.1 | 26% | 0.257 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.7 | -44.4 | 173.1 | -172.1 | 69.1 | 0 | 0 | 0 | 110.9 | L403 T408 K413 K414 I415 | L403-L411 HydrophobicContact CD2-CB 4.48Å; L403-L411 HydrophobicContact CD2-CD2 3.93Å; L403-L411 HydrophobicContact CD2-CG 3.91Å; T408-L411 PolarHBondContact O-N 2.89Å; T408-L411 WeakPolarHBondContact OG1-CB 3.29Å; T408-L411 PolarHBondContact OG1-N 3.33Å; L411-K413 PolarHBondContact O-N 3.43Å; L411-K414 PolarHBondContact O-N 3.03Å; L411-I415 PolarHBondContact O-N 3.15Å |
| 412 | C | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -59.4 | -46.7 | 176.6 | -59.4 | 0 | 0 | 0 | 0 | 111.9 | T370 A371 T408 L409 E410 K414 I415 A416 | T370-C412 WeakPolarHBondContact OG1-CB 3.47Å; A371-C412 HydrophobicContact CB-CB 4.1Å; T408-C412 PolarHBondContact O-N 3.5Å; T408-C412 PolarHBondContact O-SG 2.98Å; L409-C412 PolarHBondContact O-N 2.82Å; E410-C412 VanDerWaalsContact C-N 3.34Å; C412-K414 PolarHBondContact O-N 3.39Å; C412-I415 PolarHBondContact O-N 3.31Å; C412-A416 WeakPolarHBondContact O-CB 3.48Å; C412-A416 PolarHBondContact O-N 2.89Å |
| 413 | K | 97.6 | Very high | 96 | Very high | 104 Ų | 104 | 79.6 Ų | 79.6 | 45% | 0.452 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.2 | -41.4 | 175.2 | -71 | 168.5 | -175.6 | 172.7 | 0 | 112.4 | L409 E410 L411 A416 K417 | L409-K413 WeakPolarHBondContact O-CG 3.42Å; L409-K413 PolarHBondContact O-N 3.26Å; E410-K413 PolarHBondContact O-N 3.33Å; E410-K413 IonicContact OE1-NZ 3.62Å; E410-K413 PolarHBondContact OE1-NZ 3.38Å; E410-K413 IonicContact OE2-NZ 2.8Å; L411-K413 PolarHBondContact O-N 3.43Å; K413-A416 PolarHBondContact O-N 3.09Å; K413-K417 WeakPolarHBondContact O-CG 3.34Å; K413-K417 PolarHBondContact O-N 3.37Å |
| 414 | K | 96.9 | Very high | 96 | Very high | 136 Ų | 136 | 85.1 Ų | 85.1 | 59% | 0.591 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -62.1 | -44.3 | 177.7 | -74.6 | 172.7 | -178.2 | -178.4 | 0 | 111.2 | E410 L411 C412 K417 K418 | E410-K414 VanDerWaalsContact O-CG 3.31Å; E410-K414 WeakPolarHBondContact O-CG 3.47Å; E410-K414 PolarHBondContact O-N 3.36Å; L411-K414 PolarHBondContact O-N 3.03Å; C412-K414 PolarHBondContact O-N 3.39Å; K414-K417 PolarHBondContact O-N 3.27Å; K414-K418 PolarHBondContact O-N 3.42Å |
| 415 | I | 96.7 | Very high | 96 | Very high | 22 Ų | 22 | 85 Ų | 85 | 11% | 0.113 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -68.8 | -39.7 | 177.6 | -66.9 | -176.6 | 0 | 0 | 0 | 111.8 | G402 L403 L411 C412 K417 K418 R419 | G402-I415 WeakPolarHBondContact O-CD1 3.3Å; L403-I415 HydrophobicContact CD2-CD1 3.59Å; L403-I415 HydrophobicContact CG-CD1 3.8Å; L411-I415 PolarHBondContact O-N 3.15Å; C412-I415 PolarHBondContact O-N 3.31Å; I415-K417 VanDerWaalsContact C-N 3.29Å; I415-K417 PolarHBondContact O-N 2.95Å; I415-K418 PolarHBondContact O-N 2.98Å; I415-R419 HydrophobicContact CG2-CG 4.29Å; I415-R419 WeakPolarHBondContact O-CG 3.49Å; I415-R419 PolarHBondContact O-N 2.75Å |
| 416 | A | 97.4 | Very high | 96.1 | Very high | 30 Ų | 30 | 91.1 Ų | 91.1 | 25% | 0.248 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -58.3 | -41.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | C412 K413 A420 | C412-A416 WeakPolarHBondContact O-CB 3.48Å; C412-A416 PolarHBondContact O-N 2.89Å; K413-A416 PolarHBondContact O-N 3.09Å; A416-A420 WeakPolarHBondContact O-CB 3.32Å; A416-A420 PolarHBondContact O-N 3.4Å |
| 417 | K | 97.6 | Very high | 96 | Very high | 149 Ų | 149 | 88.3 Ų | 88.3 | 65% | 0.648 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -64.2 | -47.2 | 173.6 | -72.7 | 179.1 | 178.5 | -173 | 0 | 112.4 | K413 K414 I415 R419 A420 I421 | K413-K417 WeakPolarHBondContact O-CG 3.34Å; K413-K417 PolarHBondContact O-N 3.37Å; K414-K417 PolarHBondContact O-N 3.27Å; I415-K417 VanDerWaalsContact C-N 3.29Å; I415-K417 PolarHBondContact O-N 2.95Å; K417-R419 PolarHBondContact O-N 3.45Å; K417-A420 WeakPolarHBondContact O-CB 3.15Å; K417-A420 PolarHBondContact O-N 3.16Å; K417-I421 WeakPolarHBondContact O-CG1 3.42Å; K417-I421 PolarHBondContact O-N 3.35Å |
| 418 | K | 97 | Very high | 95.9 | Very high | 135 Ų | 135 | 92.2 Ų | 92.2 | 59% | 0.587 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -56.1 | -49.3 | 176.6 | -75.3 | -172.7 | 173.9 | -168.8 | 0 | 111.7 | K414 I415 A420 I421 E422 | K414-K418 PolarHBondContact O-N 3.42Å; I415-K418 PolarHBondContact O-N 2.98Å; K418-A420 VanDerWaalsContact C-N 3.31Å; K418-A420 PolarHBondContact O-N 2.99Å; K418-I421 PolarHBondContact O-N 3.35Å; K418-I421 VanDerWaalsContact O-N 3.16Å; K418-E422 WeakPolarHBondContact O-CG 3.34Å; K418-E422 PolarHBondContact O-N 2.92Å |
| 419 | R | 96.1 | Very high | 95.6 | Very high | 81 Ų | 81 | 93.4 Ų | 93.4 | 31% | 0.306 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.2 | -33.3 | 178 | -69.8 | 173.6 | 177.5 | -126.5 | -1.3 | 113.4 | N401 I415 K417 K423 | N401-R419 VanDerWaalsContact CB-NH2 3.28Å; N401-R419 PolarHBondContact O-NH2 3.09Å; N401-R419 PolarHBondContact OD1-NH1 2.85Å; N401-R419 PolarHBondContact OD1-NH2 3.14Å; I415-R419 HydrophobicContact CG2-CG 4.29Å; I415-R419 WeakPolarHBondContact O-CG 3.49Å; I415-R419 PolarHBondContact O-N 2.75Å; K417-R419 PolarHBondContact O-N 3.45Å; R419-K423 WeakPolarHBondContact O-CB 3.36Å; R419-K423 PolarHBondContact O-N 3.4Å |
| 420 | A | 96 | Very high | 95.2 | Very high | 43 Ų | 43 | 93.9 Ų | 93.9 | 36% | 0.355 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.7 | -47.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | A416 K417 K418 K423 E424 | A416-A420 WeakPolarHBondContact O-CB 3.32Å; A416-A420 PolarHBondContact O-N 3.4Å; K417-A420 WeakPolarHBondContact O-CB 3.15Å; K417-A420 PolarHBondContact O-N 3.16Å; K418-A420 VanDerWaalsContact C-N 3.31Å; K418-A420 PolarHBondContact O-N 2.99Å; A420-K423 WeakPolarHBondContact O-CB 3.25Å; A420-K423 PolarHBondContact O-N 3.42Å; A420-E424 WeakPolarHBondContact O-CG 3.38Å; A420-E424 PolarHBondContact O-N 3.4Å |
| 421 | I | 96.3 | Very high | 94.8 | Very high | 99 Ų | 99 | 93.1 Ų | 93.1 | 51% | 0.508 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.2 | -47.2 | 176.6 | -63.5 | 161.9 | 0 | 0 | 0 | 111 | K417 K418 K423 E424 V425 | K417-I421 WeakPolarHBondContact O-CG1 3.42Å; K417-I421 PolarHBondContact O-N 3.35Å; K418-I421 PolarHBondContact O-N 3.35Å; K418-I421 VanDerWaalsContact O-N 3.16Å; I421-K423 PolarHBondContact O-N 3.33Å; I421-E424 PolarHBondContact O-N 3.17Å; I421-V425 HydrophobicContact CG2-CG2 4.34Å; I421-V425 WeakPolarHBondContact O-CB 3.34Å; I421-V425 VanDerWaalsContact O-CG2 3.3Å; I421-V425 WeakPolarHBondContact O-CG2 3.34Å; I421-V425 PolarHBondContact O-N 3.32Å |
| 422 | E | 95.5 | Very high | 94.2 | Very high | 103 Ų | 103 | 96.9 Ų | 96.9 | 48% | 0.481 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.3 | -32.8 | 175.6 | -71.9 | 161.7 | -152.4 | 0 | 0 | 112.6 | K418 R426 | K418-E422 WeakPolarHBondContact O-CG 3.34Å; K418-E422 PolarHBondContact O-N 2.92Å; E422-R426 WeakPolarHBondContact O-CB 3.31Å; E422-R426 PolarHBondContact O-N 3.24Å; E422-R426 VanDerWaalsContact O-N 3.11Å |
| 423 | K | 95.2 | Very high | 93.5 | Very high | 111 Ų | 111 | 101.9 Ų | 101.9 | 48% | 0.483 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -71.9 | -46.8 | 174.8 | -173.6 | -167.9 | 168.2 | -153.8 | 0 | 110.8 | R419 A420 I421 R426 E427 | R419-K423 WeakPolarHBondContact O-CB 3.36Å; R419-K423 PolarHBondContact O-N 3.4Å; A420-K423 WeakPolarHBondContact O-CB 3.25Å; A420-K423 PolarHBondContact O-N 3.42Å; I421-K423 PolarHBondContact O-N 3.33Å; K423-R426 PolarHBondContact O-N 3.3Å; K423-R426 VanDerWaalsContact O-N 3.16Å; K423-E427 WeakPolarHBondContact CE-OE1 3.31Å; K423-E427 WeakPolarHBondContact CE-OE2 3.46Å; K423-E427 IonicContact NZ-OE1 2.75Å; K423-E427 PolarHBondContact NZ-OE1 3.4Å; K423-E427 VanDerWaalsContact NZ-OE1 3.17Å; K423-E427 IonicContact NZ-OE2 3.62Å; K423-E427 WeakPolarHBondContact O-CG 3.35Å; K423-E427 PolarHBondContact O-N 3.44Å |
| 424 | E | 94.6 | Very high | 92.9 | Very high | 117 Ų | 117 | 104.2 Ų | 104.2 | 55% | 0.547 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -57.5 | -48.2 | 174.8 | -73.4 | 166.4 | -163.5 | 0 | 0 | 110.6 | A420 I421 R426 E427 L428 | A420-E424 WeakPolarHBondContact O-CG 3.38Å; A420-E424 PolarHBondContact O-N 3.4Å; I421-E424 PolarHBondContact O-N 3.17Å; E424-R426 VanDerWaalsContact C-N 3.28Å; E424-R426 PolarHBondContact O-N 3.33Å; E424-E427 CarbonylContact O-C 3.53Å; E424-E427 PolarHBondContact O-N 3.18Å; E424-L428 WeakPolarHBondContact O-CG 3.31Å; E424-L428 PolarHBondContact O-N 3.47Å |
| 425 | V | 94.9 | Very high | 92.3 | Very high | 95 Ų | 95 | 102 Ų | 102 | 58% | 0.576 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59.5 | -34.2 | 175.6 | 171.8 | 0 | 0 | 0 | 0 | 112.7 | I421 | I421-V425 HydrophobicContact CG2-CG2 4.34Å; I421-V425 WeakPolarHBondContact O-CB 3.34Å; I421-V425 VanDerWaalsContact O-CG2 3.3Å; I421-V425 WeakPolarHBondContact O-CG2 3.34Å; I421-V425 PolarHBondContact O-N 3.32Å |
| 426 | R | 93.8 | Very high | 91.4 | Very high | 194 Ų | 194 | 110 Ų | 110 | 73% | 0.732 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -76.7 | -27.7 | 174.9 | -172.5 | -177.3 | -70.2 | 104.8 | -5.2 | 113.1 | E422 K423 E424 | E422-R426 WeakPolarHBondContact O-CB 3.31Å; E422-R426 PolarHBondContact O-N 3.24Å; E422-R426 VanDerWaalsContact O-N 3.11Å; K423-R426 PolarHBondContact O-N 3.3Å; K423-R426 VanDerWaalsContact O-N 3.16Å; E424-R426 VanDerWaalsContact C-N 3.28Å; E424-R426 PolarHBondContact O-N 3.33Å |
| 427 | E | 93.1 | Very high | 90.4 | Very high | 120 Ų | 120 | 117.5 Ų | 117.5 | 56% | 0.561 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -85.3 | -18.7 | 176.3 | -71.9 | -179.8 | 164.6 | 0 | 0 | 112.5 | K423 E424 D429 | K423-E427 WeakPolarHBondContact CE-OE1 3.31Å; K423-E427 WeakPolarHBondContact CE-OE2 3.46Å; K423-E427 IonicContact NZ-OE1 2.75Å; K423-E427 PolarHBondContact NZ-OE1 3.4Å; K423-E427 VanDerWaalsContact NZ-OE1 3.17Å; K423-E427 IonicContact NZ-OE2 3.62Å; K423-E427 WeakPolarHBondContact O-CG 3.35Å; K423-E427 PolarHBondContact O-N 3.44Å; E424-E427 CarbonylContact O-C 3.53Å; E424-E427 PolarHBondContact O-N 3.18Å; E427-D429 PolarHBondContact O-N 3.21Å; E427-D429 VanDerWaalsContact O-N 3.08Å |
| 428 | L | 91.3 | Very high | 88.7 | Confident | 119 Ų | 119 | 120.7 Ų | 120.7 | 62% | 0.623 | 60% | 0.603 | S | S | * | * | trans | -71.1 | 95 | 171 | -76 | 173.8 | 0 | 0 | 0 | 111 | E424 A430 | E424-L428 WeakPolarHBondContact O-CG 3.31Å; E424-L428 PolarHBondContact O-N 3.47Å; L428-A430 PolarHBondContact O-N 3.48Å | ||
| 429 | D | 90.5 | Very high | 87 | Confident | 87 Ų | 87 | 126.1 Ų | 126.1 | 47% | 0.465 | 62% | 0.62 | S | S | . | * | trans | -67.3 | 116.8 | 168.1 | 177.7 | 6.4 | 0 | 0 | 0 | 110.6 | E427 A431 N432 | E427-D429 PolarHBondContact O-N 3.21Å; E427-D429 VanDerWaalsContact O-N 3.08Å; D429-A431 PolarHBondContact O-N 3.07Å; D429-A431 WeakPolarHBondContact OD1-CB 3.4Å; D429-A431 PolarHBondContact OD1-N 3.44Å; D429-N432 WeakPolarHBondContact CB-ND2 3.29Å; D429-N432 PolarHBondContact O-N 3.16Å; D429-N432 PolarHBondContact OD2-ND2 2.94Å; D429-N432 VanDerWaalsContact OD2-ND2 3.13Å | ||
| 430 | A | 87 | Confident | 85.2 | Confident | 76 Ų | 76 | 126.8 Ų | 126.8 | 63% | 0.628 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -59.4 | -25.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L428 N432 I433 | L428-A430 PolarHBondContact O-N 3.48Å; A430-N432 VanDerWaalsContact C-N 3.26Å; A430-N432 PolarHBondContact O-N 3Å; A430-I433 HydrophobicContact CB-CD1 4.43Å; A430-I433 PolarHBondContact O-N 3.17Å |
| 431 | A | 88.6 | Confident | 83.7 | Confident | 85 Ų | 85 | 136.6 Ų | 136.6 | 70% | 0.702 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -69.7 | -22.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | D429 | D429-A431 PolarHBondContact O-N 3.07Å; D429-A431 WeakPolarHBondContact OD1-CB 3.4Å; D429-A431 PolarHBondContact OD1-N 3.44Å |
| 432 | N | 84 | Confident | 82 | Confident | 128 Ų | 128 | 136.2 Ų | 136.2 | 68% | 0.684 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -89.3 | -5.8 | 175.5 | -68.1 | -48.7 | 0 | 0 | 0 | 113.2 | D429 A430 I434 | D429-N432 WeakPolarHBondContact CB-ND2 3.29Å; D429-N432 PolarHBondContact O-N 3.16Å; D429-N432 PolarHBondContact OD2-ND2 2.94Å; D429-N432 VanDerWaalsContact OD2-ND2 3.13Å; A430-N432 VanDerWaalsContact C-N 3.26Å; A430-N432 PolarHBondContact O-N 3Å; N432-I434 PolarHBondContact O-N 3.17Å |
| 433 | I | 83.9 | Confident | 80.1 | Confident | 106 Ų | 106 | 134.3 Ų | 134.3 | 54% | 0.544 | 68% | 0.68 | S | S | . | * | S | Bend | trans | -73.3 | 111.9 | 174.6 | -59.2 | 177.5 | 0 | 0 | 0 | 107.8 | A430 P435 | A430-I433 HydrophobicContact CB-CD1 4.43Å; A430-I433 PolarHBondContact O-N 3.17Å; I433-P435 WeakPolarHBondContact O-CD 3.49Å; I433-P435 VanDerWaalsContact O-N 3.14Å |
| 434 | I | 83.8 | Confident | 78.2 | Confident | 152 Ų | 152 | 135.3 Ų | 135.3 | 78% | 0.779 | 70% | 0.696 | S | S | * | * | trans | -58.9 | 118.6 | 169.3 | -58.3 | 174.1 | 0 | 0 | 0 | 106.6 | N432 E436 | N432-I434 PolarHBondContact O-N 3.17Å; I434-E436 PolarHBondContact O-N 3.35Å | ||
| 435 | P | 84.1 | Confident | 76.6 | Confident | 89 Ų | 89 | 135.2 Ų | 135.2 | 58% | 0.578 | 70% | 0.704 | S | S | * | * | trans | -62.3 | 139 | -177 | 24.2 | -33.4 | 0 | 0 | 0 | 110.1 | I433 K437 | I433-P435 WeakPolarHBondContact O-CD 3.49Å; I433-P435 VanDerWaalsContact O-N 3.14Å; P435-K437 PolarHBondContact O-N 3.4Å | ||
| 436 | E | 79.1 | Confident | 74.6 | Confident | 191 Ų | 191 | 136.1 Ų | 136.1 | 89% | 0.893 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -60.1 | 11.6 | 178.4 | -162.1 | 66.3 | -130.3 | 0 | 0 | 113.9 | I434 R438 | I434-E436 PolarHBondContact O-N 3.35Å; E436-R438 PolarHBondContact O-N 3.05Å |
| 437 | K | 77 | Confident | 72.9 | Confident | 188 Ų | 188 | 136.1 Ų | 136.1 | 82% | 0.817 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -66.3 | 81.4 | 169.1 | -74.9 | -172.6 | 175.7 | -178.6 | 0 | 109.6 | P435 R439 | P435-K437 PolarHBondContact O-N 3.4Å; K437-R439 PolarHBondContact O-N 2.99Å |
| 438 | R | 61.4 | Low | 71.1 | Confident | 216 Ų | 216 | 134.7 Ų | 134.7 | 82% | 0.815 | 73% | 0.731 | S | S | * | * | trans | 2.3 | 90.7 | 163.2 | -68.9 | -179 | 175.3 | -179.7 | -1.7 | 113.2 | E436 T440 | E436-R438 PolarHBondContact O-N 3.05Å; R438-T440 HydrophobicContact CB-CG2 4.45Å; R438-T440 PolarHBondContact O-N 3.37Å; R438-T440 PolarHBondContact O-OG1 3.05Å | ||
| 439 | R | 59.9 | Low | 69.7 | Low | 248 Ų | 248 | 133.9 Ų | 133.9 | 94% | 0.936 | 73% | 0.733 | S | S | * | * | trans | -74.8 | 66 | 154.9 | -152.7 | 172.3 | -167.6 | 162.2 | 3.5 | 107.7 | K437 R441 | K437-R439 PolarHBondContact O-N 2.99Å; R439-R441 PolarHBondContact O-N 3.28Å | ||
| 440 | T | 60.2 | Low | 68.1 | Low | 95 Ų | 95 | 139.7 Ų | 139.7 | 58% | 0.583 | 76% | 0.757 | S | S | * | * | trans | -51.8 | 127.8 | 171.8 | 17.7 | 0 | 0 | 0 | 0 | 107.7 | R438 A442 G443 | R438-T440 HydrophobicContact CB-CG2 4.45Å; R438-T440 PolarHBondContact O-N 3.37Å; R438-T440 PolarHBondContact O-OG1 3.05Å; T440-A442 PolarHBondContact O-N 2.87Å; T440-G443 PolarHBondContact O-N 2.98Å | ||
| 441 | R | 62.7 | Low | 66.8 | Low | 249 Ų | 249 | 146 Ų | 146 | 94% | 0.94 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | 3.5 | -172.1 | -156.7 | 178.2 | 179.5 | -150.3 | 0.6 | 114.4 | R439 | R439-R441 PolarHBondContact O-N 3.28Š|
| 442 | A | 61.3 | Low | 65.8 | Low | 92 Ų | 92 | 146.6 Ų | 146.6 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -7.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | T440 | T440-A442 PolarHBondContact O-N 2.87Š|
| 443 | G | 56.1 | Low | 64.8 | Low | 62 Ų | 62 | 147 Ų | 147 | 64% | 0.639 | 77% | 0.774 | S | S | * | * | trans | -96.1 | 17.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | T440 T445 | T440-G443 PolarHBondContact O-N 2.98Å; G443-T445 PolarHBondContact O-N 3.45Å; G443-T445 VanDerWaalsContact O-N 3.15Å | ||
| 444 | T | 56 | Low | 63.8 | Low | 133 Ų | 133 | 147.8 Ų | 147.8 | 82% | 0.816 | 78% | 0.778 | S | S | * | * | trans | -89.8 | 53.5 | 179.6 | -44 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 445 | T | 59.3 | Low | 62.7 | Low | 115 Ų | 115 | 145.1 Ų | 145.1 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | trans | -144.5 | 134.1 | 174.5 | -32.4 | 0 | 0 | 0 | 0 | 106.8 | G443 | G443-T445 PolarHBondContact O-N 3.45Å; G443-T445 VanDerWaalsContact O-N 3.15Å | ||
| 446 | S | 53.4 | Low | 61.6 | Low | 113 Ų | 113 | 146.6 Ų | 146.6 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 86.4 | 133.4 | -165.2 | -40.2 | 0 | 0 | 0 | 0 | 114.4 | ||
| 447 | Q | 58.8 | Low | 60.7 | Low | 195 Ų | 195 | 143.3 Ų | 143.3 | 91% | 0.911 | 78% | 0.776 | S | S | * | * | trans | 68.8 | 43.7 | -179.2 | -49.2 | -161.3 | 7.3 | 0 | 0 | 116.1 | ||||
| 448 | A | 55 | Low | 59.9 | Low | 90 Ų | 90 | 137.6 Ų | 137.6 | 74% | 0.744 | 76% | 0.764 | S | S | * | * | trans | -65.6 | 133.1 | 136.6 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 449 | P | 62.5 | Low | 59.8 | Low | 102 Ų | 102 | 132.8 Ų | 132.8 | 66% | 0.662 | 76% | 0.763 | S | S | * | * | trans | -61.9 | 148.2 | 168.8 | 28.5 | -34.2 | 0 | 0 | 0 | 108.9 | R451 | P449-R451 PolarHBondContact O-N 3.31Š| ||
| 450 | E | 56.5 | Low | 60 | Low | 209 Ų | 209 | 126.9 Ų | 126.9 | 98% | 0.977 | 74% | 0.744 | S | S | * | * | trans | -53.1 | 97.4 | 176.4 | -73.8 | -174.8 | 124.8 | 0 | 0 | 110.4 | ||||
| 451 | R | 59.7 | Low | 60.4 | Low | 207 Ų | 207 | 126.4 Ų | 126.4 | 78% | 0.781 | 74% | 0.742 | S | S | * | * | trans | -86.4 | 129 | 166 | -75.6 | -173.6 | 171.1 | -164.9 | -3.6 | 106.6 | P449 | P449-R451 PolarHBondContact O-N 3.31Š| ||
| 452 | S | 66.6 | Low | 60.7 | Low | 98 Ų | 98 | 124 Ų | 124 | 69% | 0.685 | 73% | 0.732 | S | S | * | * | trans | -44.4 | 153 | 173.5 | 41.8 | 0 | 0 | 0 | 0 | 112.3 | I454 | S452-I454 PolarHBondContact O-N 3.46Š| ||
| 453 | P | 63.3 | Low | 60.9 | Low | 137 Ų | 137 | 126.1 Ų | 126.1 | 89% | 0.89 | 73% | 0.728 | S | S | * | * | trans | -54.4 | 102.8 | -173.6 | -26.2 | 34.8 | 0 | 0 | 0 | 112.6 | ||||
| 454 | I | 62.5 | Low | 61.3 | Low | 122 Ų | 122 | 128.1 Ų | 128.1 | 63% | 0.626 | 72% | 0.721 | S | S | * | * | trans | -76.7 | 126.6 | 172.3 | -57.6 | 179 | 0 | 0 | 0 | 106.4 | S452 | S452-I454 PolarHBondContact O-N 3.46Š| ||
| 455 | P | 61.5 | Low | 61.8 | Low | 96 Ų | 96 | 130.8 Ų | 130.8 | 62% | 0.623 | 72% | 0.716 | S | S | * | * | trans | -60 | 145.6 | -176.3 | 22.2 | -32.8 | 0 | 0 | 0 | 112.4 | T457 | P455-T457 PolarHBondContact O-N 3.03Š| ||
| 456 | S | 61 | Low | 62.3 | Low | 120 Ų | 120 | 128.7 Ų | 128.7 | 84% | 0.839 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 42.3 | -165.3 | -173.4 | 0 | 0 | 0 | 0 | 115.5 | ||
| 457 | T | 60.1 | Low | 62.8 | Low | 122 Ų | 122 | 126.4 Ų | 126.4 | 75% | 0.748 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.6 | 7.8 | -172.6 | 57.2 | 0 | 0 | 0 | 0 | 114.5 | P455 | P455-T457 PolarHBondContact O-N 3.03Š|
| 458 | A | 59.8 | Low | 63 | Low | 69 Ų | 69 | 123.8 Ų | 123.8 | 57% | 0.57 | 69% | 0.689 | S | S | * | * | trans | -106.1 | 8 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | K460 | A458-K460 PolarHBondContact O-N 2.89Š| ||
| 459 | S | 60.1 | Low | 63.3 | Low | 114 Ų | 114 | 126.7 Ų | 126.7 | 80% | 0.797 | 69% | 0.687 | S | S | * | * | trans | -76.6 | 31 | -179.4 | 40.6 | 0 | 0 | 0 | 0 | 114.7 | T461 | S459-T461 PolarHBondContact O-N 2.72Š| ||
| 460 | K | 63 | Low | 63.5 | Low | 124 Ų | 124 | 127 Ų | 127 | 54% | 0.539 | 69% | 0.691 | S | S | . | * | trans | -69.9 | 119.2 | 169.2 | -66.9 | -156.9 | 166.9 | -139 | 0 | 109.7 | A458 E464 | A458-K460 PolarHBondContact O-N 2.89Å; K460-E464 WeakPolarHBondContact CA-OE2 3.28Å; K460-E464 WeakPolarHBondContact CB-OE2 3.15Å; K460-E464 WeakPolarHBondContact CD-OE1 3.44Å; K460-E464 WeakPolarHBondContact CD-OE2 3.3Å; K460-E464 VanDerWaalsContact CE-OE1 3.26Å; K460-E464 WeakPolarHBondContact CE-OE1 3.41Å; K460-E464 WeakPolarHBondContact CG-OE2 3.41Å; K460-E464 IonicContact NZ-OE1 2.65Å; K460-E464 PolarHBondContact NZ-OE1 3.27Å | ||
| 461 | T | 69 | Low | 63.8 | Low | 86 Ų | 86 | 122.5 Ų | 122.5 | 53% | 0.528 | 67% | 0.674 | S | S | . | * | trans | -62 | 157.1 | -176.6 | 57.5 | 0 | 0 | 0 | 0 | 110.9 | S459 M463 E464 R465 | S459-T461 PolarHBondContact O-N 2.72Å; T461-M463 PolarHBondContact O-N 3.45Å; T461-E464 WeakPolarHBondContact O-CB 3.49Å; T461-E464 PolarHBondContact O-N 3.4Å; T461-E464 PolarHBondContact OG1-N 3.36Å; T461-R465 PolarHBondContact O-N 3.43Å | ||
| 462 | W | 69 | Low | 64 | Low | 198 Ų | 198 | 120 Ų | 120 | 75% | 0.75 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -56.7 | -35.5 | 176.5 | 164.7 | 50.5 | 0 | 0 | 0 | 112 | E464 R465 V466 | W462-E464 PolarHBondContact O-N 3.36Å; W462-R465 WeakPolarHBondContact O-CB 3.36Å; W462-R465 PolarHBondContact O-N 2.93Å; W462-R465 VanDerWaalsContact O-N 3.07Å; W462-V466 PolarHBondContact O-N 2.96Å; W462-V466 VanDerWaalsContact O-N 3.11Å |
| 463 | M | 64.7 | Low | 63.9 | Low | 136 Ų | 136 | 125 Ų | 125 | 67% | 0.67 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -57 | -46.3 | 173.2 | -69.6 | 174 | 172.7 | 0 | 0 | 112.4 | T461 R465 V466 | T461-M463 PolarHBondContact O-N 3.45Å; M463-R465 PolarHBondContact O-N 3.39Å; M463-V466 VanDerWaalsContact O-CG2 3.28Å; M463-V466 WeakPolarHBondContact O-CG2 3.31Å; M463-V466 PolarHBondContact O-N 3.14Å |
| 464 | E | 66.5 | Low | 63.9 | Low | 105 Ų | 105 | 123.9 Ų | 123.9 | 49% | 0.491 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -65.7 | -23.3 | 176.7 | -155.4 | -172.6 | 165.9 | 0 | 0 | 112.8 | K460 T461 W462 | K460-E464 WeakPolarHBondContact CA-OE2 3.28Å; K460-E464 WeakPolarHBondContact CB-OE2 3.15Å; K460-E464 WeakPolarHBondContact CD-OE1 3.44Å; K460-E464 WeakPolarHBondContact CD-OE2 3.3Å; K460-E464 VanDerWaalsContact CE-OE1 3.26Å; K460-E464 WeakPolarHBondContact CE-OE1 3.41Å; K460-E464 WeakPolarHBondContact CG-OE2 3.41Å; K460-E464 IonicContact NZ-OE1 2.65Å; K460-E464 PolarHBondContact NZ-OE1 3.27Å; T461-E464 WeakPolarHBondContact O-CB 3.49Å; T461-E464 PolarHBondContact O-N 3.4Å; T461-E464 PolarHBondContact OG1-N 3.36Å; W462-E464 PolarHBondContact O-N 3.36Å |
| 465 | R | 64.7 | Low | 64 | Low | 189 Ų | 189 | 125.8 Ų | 125.8 | 71% | 0.713 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -86.1 | -21 | 177.6 | -164.1 | 176.4 | -61.2 | 165 | 5.5 | 114 | T461 W462 M463 | T461-R465 PolarHBondContact O-N 3.43Å; W462-R465 WeakPolarHBondContact O-CB 3.36Å; W462-R465 PolarHBondContact O-N 2.93Å; W462-R465 VanDerWaalsContact O-N 3.07Å; M463-R465 PolarHBondContact O-N 3.39Å |
| 466 | V | 70.2 | Confident | 64.2 | Low | 70 Ų | 70 | 126.9 Ų | 126.9 | 42% | 0.424 | 70% | 0.702 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.6 | 0.5 | 175.6 | -67.1 | 0 | 0 | 0 | 0 | 113.6 | W462 M463 L468 | W462-V466 PolarHBondContact O-N 2.96Å; W462-V466 VanDerWaalsContact O-N 3.11Å; M463-V466 VanDerWaalsContact O-CG2 3.28Å; M463-V466 WeakPolarHBondContact O-CG2 3.31Å; M463-V466 PolarHBondContact O-N 3.14Å; V466-L468 HydrophobicContact CG2-CB 4.37Å; V466-L468 HydrophobicContact CG2-CD1 3.96Å; V466-L468 HydrophobicContact CG2-CG 4.38Å; V466-L468 PolarHBondContact O-N 3.42Å; V466-L468 VanDerWaalsContact O-N 3.11Å |
| 467 | G | 63.4 | Low | 64.5 | Low | 65 Ų | 65 | 132.9 Ų | 132.9 | 67% | 0.67 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 65.1 | 15.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q469 | G467-Q469 PolarHBondContact O-N 3.01Å; G467-Q469 VanDerWaalsContact O-N 3.13Å |
| 468 | L | 64.6 | Low | 64.7 | Low | 141 Ų | 141 | 133.5 Ų | 133.5 | 74% | 0.738 | 72% | 0.723 | S | S | * | * | trans | -78.8 | 94.4 | 174.9 | -80.2 | 162.7 | 0 | 0 | 0 | 108.6 | V466 S470 | V466-L468 HydrophobicContact CG2-CB 4.37Å; V466-L468 HydrophobicContact CG2-CD1 3.96Å; V466-L468 HydrophobicContact CG2-CG 4.38Å; V466-L468 PolarHBondContact O-N 3.42Å; V466-L468 VanDerWaalsContact O-N 3.11Å; L468-S470 PolarHBondContact O-N 3.22Å | ||
| 469 | Q | 61.4 | Low | 64.9 | Low | 151 Ų | 151 | 136.8 Ų | 136.8 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | trans | -53.9 | 127.6 | 164 | -83.3 | -179.5 | -96.7 | 0 | 0 | 109.3 | G467 D471 | G467-Q469 PolarHBondContact O-N 3.01Å; G467-Q469 VanDerWaalsContact O-N 3.13Å; Q469-D471 HydrophobicContact CB-CB 4.49Å; Q469-D471 PolarHBondContact NE2-OD2 2.94Å; Q469-D471 PolarHBondContact O-N 3.2Å; Q469-D471 VanDerWaalsContact O-N 3.17Å | ||
| 470 | S | 65 | Low | 65.2 | Low | 107 Ų | 107 | 138.1 Ų | 138.1 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -75.6 | 10.7 | 176.8 | 40.5 | 0 | 0 | 0 | 0 | 113.6 | L468 L472 | L468-S470 PolarHBondContact O-N 3.22Å; S470-L472 VanDerWaalsContact C-N 3.27Å; S470-L472 PolarHBondContact O-N 3.33Å |
| 471 | D | 63.8 | Low | 65.3 | Low | 115 Ų | 115 | 138.9 Ų | 138.9 | 62% | 0.615 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | 22.1 | -164.6 | -49 | -30.2 | 0 | 0 | 0 | 113 | Q469 | Q469-D471 HydrophobicContact CB-CB 4.49Å; Q469-D471 PolarHBondContact NE2-OD2 2.94Å; Q469-D471 PolarHBondContact O-N 3.2Å; Q469-D471 VanDerWaalsContact O-N 3.17Å |
| 472 | L | 62.9 | Low | 65.1 | Low | 154 Ų | 154 | 142.3 Ų | 142.3 | 81% | 0.806 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.2 | 10.5 | -172.3 | -103 | 164.2 | 0 | 0 | 0 | 114.5 | S470 | S470-L472 VanDerWaalsContact C-N 3.27Å; S470-L472 PolarHBondContact O-N 3.33Å |
| 473 | F | 65.3 | Low | 64.9 | Low | 204 Ų | 204 | 138.5 Ų | 138.5 | 90% | 0.895 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -134.6 | 15.4 | -178.1 | -83.5 | -74.5 | 0 | 0 | 0 | 115.3 | ||
| 474 | S | 63.3 | Low | 64.9 | Low | 113 Ų | 113 | 138.7 Ų | 138.7 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | trans | -125.5 | 88 | 170.3 | -70.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 475 | D | 64.8 | Low | 64.7 | Low | 163 Ų | 163 | 141.3 Ų | 141.3 | 87% | 0.872 | 78% | 0.779 | S | S | * | * | trans | -168.7 | 136.8 | 146.5 | -107 | -26 | 0 | 0 | 0 | 111.5 | ||||
| 476 | S | 64.8 | Low | 64.7 | Low | 118 Ų | 118 | 137.3 Ų | 137.3 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | 105.8 | 93.3 | 172.9 | -42.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 477 | D | 67.5 | Low | 64.2 | Low | 247 Ų | 247 | 143.5 Ų | 143.5 | 100% | 1.321 | 82% | 0.817 | S | S | * | * | trans | -64 | 0 | 146.9 | -72.5 | -61.7 | 0 | 0 | 0 | 111.8 |
Retrieved 477 of 477 residues in 182.1 ms
(Link to these results)