| 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 | 40.2 | Very low | 54.7 | Low | 245 Ų | 245 | 168.9 Ų | 168.9 | 100% | 1.207 | 81% | 0.807 | S | S | * | * | 0 | 95.6 | 0 | -64.6 | 167.4 | 89.3 | 0 | 0 | 108.1 | G3 | M1-G3 PolarHBondContact O-N 3.02Š| |||
| 2 | K | 45.4 | Very low | 57 | Low | 215 Ų | 215 | 157.5 Ų | 157.5 | 94% | 0.935 | 76% | 0.762 | S | S | * | * | trans | -87.7 | 105.7 | 173.6 | -80 | 174.3 | 177.7 | 175 | 0 | 106.6 | D4 | K2-D4 PolarHBondContact O-N 3.27Š| ||
| 3 | G | 45.1 | Very low | 59 | Low | 57 Ų | 57 | 161.5 Ų | 161.5 | 59% | 0.588 | 76% | 0.764 | S | S | * | * | trans | -67 | 121.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | M1 F5 | M1-G3 PolarHBondContact O-N 3.02Å; G3-F5 VanDerWaalsContact C-N 3.29Å; G3-F5 WeakPolarHBondContact O-CD2 3.24Å; G3-F5 PolarHBondContact O-N 2.97Å | ||
| 4 | D | 49.5 | Very low | 61.3 | Low | 123 Ų | 123 | 153.9 Ų | 153.9 | 66% | 0.658 | 73% | 0.734 | S | S | * | * | trans | -64.5 | 89.3 | 166.3 | -108.4 | 14.3 | 0 | 0 | 0 | 108.2 | K2 R6 | K2-D4 PolarHBondContact O-N 3.27Å; D4-R6 PolarHBondContact O-N 3.49Å; D4-R6 IonicContact OD2-CZ 3.51Å; D4-R6 IonicContact OD2-NE 3.18Å; D4-R6 PolarHBondContact OD2-NE 3.05Å; D4-R6 IonicContact OD2-NH2 2.91Å; D4-R6 PolarHBondContact OD2-NH2 3.26Å | ||
| 5 | F | 51.8 | Low | 63.3 | Low | 196 Ų | 196 | 150.1 Ų | 150.1 | 86% | 0.86 | 73% | 0.727 | S | S | * | * | trans | -74.7 | 66.4 | 167.7 | -74.7 | -84 | 0 | 0 | 0 | 109.6 | G3 K7 | G3-F5 VanDerWaalsContact C-N 3.29Å; G3-F5 WeakPolarHBondContact O-CD2 3.24Å; G3-F5 PolarHBondContact O-N 2.97Å; F5-K7 PolarHBondContact O-N 3.14Å | ||
| 6 | R | 56.2 | Low | 65 | Low | 196 Ų | 196 | 147.4 Ų | 147.4 | 74% | 0.74 | 72% | 0.716 | S | S | * | * | trans | -65.6 | 107.9 | 161.7 | -64.3 | -177.4 | -159.3 | -141.4 | 0.9 | 105.8 | D4 K8 | D4-R6 PolarHBondContact O-N 3.49Å; D4-R6 IonicContact OD2-CZ 3.51Å; D4-R6 IonicContact OD2-NE 3.18Å; D4-R6 PolarHBondContact OD2-NE 3.05Å; D4-R6 IonicContact OD2-NH2 2.91Å; D4-R6 PolarHBondContact OD2-NH2 3.26Å; R6-K8 VanDerWaalsContact C-N 3.28Å; R6-K8 PolarHBondContact O-N 2.89Å | ||
| 7 | K | 54.2 | Low | 66.3 | Low | 209 Ų | 209 | 143.5 Ų | 143.5 | 91% | 0.909 | 70% | 0.697 | S | S | * | * | trans | -55.7 | 97 | 169.6 | -76.9 | -175.6 | 179.2 | -176.5 | 0 | 107 | F5 K9 | F5-K7 PolarHBondContact O-N 3.14Å; K7-K9 PolarHBondContact O-N 3.09Å | ||
| 8 | K | 59 | Low | 67.6 | Low | 191 Ų | 191 | 141.1 Ų | 141.1 | 83% | 0.83 | 68% | 0.684 | S | S | * | * | trans | -59.3 | 125.6 | 170.4 | -70.3 | -176.4 | -179.2 | 179.5 | 0 | 105.7 | R6 S10 | R6-K8 VanDerWaalsContact C-N 3.28Å; R6-K8 PolarHBondContact O-N 2.89Å; K8-S10 PolarHBondContact O-N 2.84Å; K8-S10 VanDerWaalsContact O-N 3.1Å | ||
| 9 | K | 59.2 | Low | 68.8 | Low | 184 Ų | 184 | 140.5 Ų | 140.5 | 80% | 0.8 | 68% | 0.68 | S | S | * | * | trans | -50.5 | 122.5 | 166.8 | -108.1 | 178.5 | 178.1 | -179.1 | 0 | 106.2 | K7 E11 | K7-K9 PolarHBondContact O-N 3.09Å; K9-E11 VanDerWaalsContact C-N 3.3Å; K9-E11 PolarHBondContact O-N 2.83Å | ||
| 10 | S | 67.3 | Low | 69.8 | Low | 97 Ų | 97 | 137.8 Ų | 137.8 | 68% | 0.678 | 67% | 0.668 | S | S | * | * | trans | -70.2 | 94.2 | 175.2 | 53.7 | 0 | 0 | 0 | 0 | 107.2 | K8 | K8-S10 PolarHBondContact O-N 2.84Å; K8-S10 VanDerWaalsContact O-N 3.1Å | ||
| 11 | E | 73.7 | Confident | 70.6 | Confident | 145 Ų | 145 | 134.3 Ų | 134.3 | 68% | 0.678 | 65% | 0.65 | S | S | * | * | trans | -73.6 | 130.7 | 169.4 | -69.1 | 168.9 | 179.9 | 0 | 0 | 107.8 | K9 R13 | K9-E11 VanDerWaalsContact C-N 3.3Å; K9-E11 PolarHBondContact O-N 2.83Å; E11-R13 PolarHBondContact O-N 3.3Å; E11-R13 VanDerWaalsContact O-N 3.13Å | ||
| 12 | A | 82.9 | Confident | 72.9 | Confident | 32 Ų | 32 | 126.8 Ų | 126.8 | 26% | 0.264 | 62% | 0.615 | S | S | . | * | trans | -68.7 | 108.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | E17 Q18 | A12-E17 HydrophobicContact CB-CB 3.78Å; A12-Q18 HydrophobicContact CB-CB 4.44Å; A12-Q18 HydrophobicContact CB-CG 3.7Å | ||
| 13 | R | 82.8 | Confident | 75 | Confident | 209 Ų | 209 | 122.3 Ų | 122.3 | 79% | 0.789 | 60% | 0.6 | S | S | * | * | trans | -93.3 | -29.1 | -175.2 | -69.9 | 179.1 | 179 | -164.4 | -5.4 | 111.8 | E11 E17 | E11-R13 PolarHBondContact O-N 3.3Å; E11-R13 VanDerWaalsContact O-N 3.13Å; R13-E17 PolarHBondContact N-OE2 3.37Å | ||
| 14 | T | 91.2 | Very high | 76.9 | Confident | 56 Ų | 56 | 122.5 Ų | 122.5 | 34% | 0.344 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -99.2 | 150.8 | 179.6 | 68.5 | 0 | 0 | 0 | 0 | 111.2 | L16 E17 Q18 | T14-L16 PolarHBondContact O-N 3.02Å; T14-E17 WeakPolarHBondContact CG2-OE1 3.44Å; T14-E17 PolarHBondContact N-OE2 3.02Å; T14-E17 WeakPolarHBondContact O-CB 3.36Å; T14-E17 PolarHBondContact O-N 3.32Å; T14-E17 VanDerWaalsContact O-N 3.15Å; T14-E17 WeakPolarHBondContact OG1-CB 3.34Å; T14-E17 WeakPolarHBondContact OG1-CG 3.44Å; T14-E17 PolarHBondContact OG1-N 3.21Å; T14-E17 PolarHBondContact OG1-OE1 2.98Å; T14-Q18 WeakPolarHBondContact O-CG 3.46Å; T14-Q18 PolarHBondContact O-N 2.97Å; T14-Q18 VanDerWaalsContact O-N 3.08Å |
| 15 | P | 91.8 | Very high | 78.5 | Confident | 96 Ų | 96 | 121.1 Ų | 121.1 | 62% | 0.623 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -59.7 | -35.2 | 177.7 | 22.9 | -33.2 | 0 | 0 | 0 | 112 | Q18 E19 | P15-Q18 WeakPolarHBondContact O-CB 3.47Å; P15-Q18 PolarHBondContact O-N 3.3Å; P15-E19 PolarHBondContact O-N 3Å; P15-E19 VanDerWaalsContact O-N 3.07Å |
| 16 | L | 90.2 | Very high | 80.2 | Confident | 107 Ų | 107 | 120 Ų | 120 | 56% | 0.56 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.7 | -43.5 | 174.9 | -178.7 | 64.1 | 0 | 0 | 0 | 112.2 | T14 Q18 E19 I20 | T14-L16 PolarHBondContact O-N 3.02Å; L16-Q18 VanDerWaalsContact C-N 3.26Å; L16-Q18 PolarHBondContact O-N 3.2Å; L16-E19 PolarHBondContact O-N 2.88Å; L16-I20 HydrophobicContact CD1-CD1 4.19Å; L16-I20 HydrophobicContact CD1-CG1 4.46Å; L16-I20 HydrophobicContact CG-CD1 3.88Å; L16-I20 VanDerWaalsContact O-CG1 3.27Å; L16-I20 WeakPolarHBondContact O-CG1 3.26Å; L16-I20 PolarHBondContact O-N 3.42Å |
| 17 | E | 86.9 | Confident | 81.6 | Confident | 82 Ų | 82 | 116 Ų | 116 | 38% | 0.383 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -60.8 | -37.3 | 174.7 | -76.6 | 157.7 | -147 | 0 | 0 | 111.7 | A12 R13 T14 I20 F21 | A12-E17 HydrophobicContact CB-CB 3.78Å; R13-E17 PolarHBondContact N-OE2 3.37Å; T14-E17 WeakPolarHBondContact CG2-OE1 3.44Å; T14-E17 PolarHBondContact N-OE2 3.02Å; T14-E17 WeakPolarHBondContact O-CB 3.36Å; T14-E17 PolarHBondContact O-N 3.32Å; T14-E17 VanDerWaalsContact O-N 3.15Å; T14-E17 WeakPolarHBondContact OG1-CB 3.34Å; T14-E17 WeakPolarHBondContact OG1-CG 3.44Å; T14-E17 PolarHBondContact OG1-N 3.21Å; T14-E17 PolarHBondContact OG1-OE1 2.98Å; E17-I20 PolarHBondContact O-N 3Å; E17-F21 WeakPolarHBondContact O-CB 3.33Å; E17-F21 PolarHBondContact O-N 2.78Å |
| 18 | Q | 89.1 | Confident | 82.7 | Confident | 100 Ų | 100 | 115 Ų | 115 | 47% | 0.467 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.9 | -43.1 | 176.9 | -67.3 | 173.9 | 3.2 | 0 | 0 | 111.3 | A12 T14 P15 L16 F21 N22 | A12-Q18 HydrophobicContact CB-CB 4.44Å; A12-Q18 HydrophobicContact CB-CG 3.7Å; T14-Q18 WeakPolarHBondContact O-CG 3.46Å; T14-Q18 PolarHBondContact O-N 2.97Å; T14-Q18 VanDerWaalsContact O-N 3.08Å; P15-Q18 WeakPolarHBondContact O-CB 3.47Å; P15-Q18 PolarHBondContact O-N 3.3Å; L16-Q18 VanDerWaalsContact C-N 3.26Å; L16-Q18 PolarHBondContact O-N 3.2Å; Q18-F21 PolarHBondContact O-N 3.07Å; Q18-N22 VanDerWaalsContact O-CB 3.29Å; Q18-N22 WeakPolarHBondContact O-CB 3.41Å; Q18-N22 PolarHBondContact O-N 3.49Å; Q18-N22 PolarHBondContact O-ND2 2.73Å; Q18-N22 VanDerWaalsContact O-ND2 3.09Å |
| 19 | E | 91.4 | Very high | 83.4 | Confident | 130 Ų | 130 | 110.7 Ų | 110.7 | 61% | 0.607 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -63.3 | -45.9 | 175.8 | -73.2 | -179.3 | -177.6 | 0 | 0 | 112.4 | P15 L16 F21 N22 L23 | P15-E19 PolarHBondContact O-N 3Å; P15-E19 VanDerWaalsContact O-N 3.07Å; L16-E19 PolarHBondContact O-N 2.88Å; E19-F21 VanDerWaalsContact C-N 3.34Å; E19-F21 PolarHBondContact O-N 3.33Å; E19-N22 PolarHBondContact O-N 2.98Å; E19-L23 WeakPolarHBondContact O-CB 3.35Å; E19-L23 PolarHBondContact O-N 3.19Å |
| 20 | I | 88.4 | Confident | 83.8 | Confident | 86 Ų | 86 | 106.5 Ų | 106.5 | 44% | 0.441 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.7 | -46 | 176.7 | -67.8 | 167 | 0 | 0 | 0 | 110 | L16 E17 N22 L23 L24 | L16-I20 HydrophobicContact CD1-CD1 4.19Å; L16-I20 HydrophobicContact CD1-CG1 4.46Å; L16-I20 HydrophobicContact CG-CD1 3.88Å; L16-I20 VanDerWaalsContact O-CG1 3.27Å; L16-I20 WeakPolarHBondContact O-CG1 3.26Å; L16-I20 PolarHBondContact O-N 3.42Å; E17-I20 PolarHBondContact O-N 3Å; I20-N22 PolarHBondContact O-N 3Å; I20-L23 WeakPolarHBondContact O-CB 3.42Å; I20-L23 PolarHBondContact O-N 3.15Å; I20-L24 HydrophobicContact CG2-CD1 3.88Å; I20-L24 HydrophobicContact CG2-CG 4.33Å; I20-L24 VanDerWaalsContact O-CG 3.26Å; I20-L24 WeakPolarHBondContact O-CG 3.39Å; I20-L24 PolarHBondContact O-N 3.49Å |
| 21 | F | 86.9 | Confident | 83.8 | Confident | 64 Ų | 64 | 105 Ų | 105 | 28% | 0.281 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.4 | -40.5 | 179.6 | -160.6 | -112.5 | 0 | 0 | 0 | 112.3 | E17 Q18 E19 L23 L24 H25 V31 | E17-F21 WeakPolarHBondContact O-CB 3.33Å; E17-F21 PolarHBondContact O-N 2.78Å; Q18-F21 PolarHBondContact O-N 3.07Å; E19-F21 VanDerWaalsContact C-N 3.34Å; E19-F21 PolarHBondContact O-N 3.33Å; F21-L23 VanDerWaalsContact C-N 3.32Å; F21-L23 PolarHBondContact O-N 3.15Å; F21-L24 PolarHBondContact O-N 3.32Å; F21-H25 AromaticContact CD1-CE1 3.33Å; F21-H25 WeakPolarHBondContact CD1-CE1 3.38Å; F21-H25 AromaticContact CD1-ND1 3.56Å; F21-H25 AromaticContact CE1-CE1 2.86Å; F21-H25 WeakPolarHBondContact CE1-CE1 3.38Å; F21-H25 AromaticContact CE1-ND1 3.6Å; F21-H25 AromaticContact CE1-NE2 3.47Å; F21-H25 WeakPolarHBondContact CE1-NE2 3.37Å; F21-H25 AromaticContact CZ-CE1 3.39Å; F21-H25 WeakPolarHBondContact CZ-CE1 3.27Å; F21-H25 AromaticContact CZ-NE2 3.47Å; F21-H25 WeakPolarHBondContact CZ-NE2 3.48Å; F21-H25 WeakPolarHBondContact O-CB 3.35Å; F21-H25 VanDerWaalsContact O-CG 3.28Å; F21-H25 PolarHBondContact O-N 3.5Å; F21-V31 HydrophobicContact CD2-CG1 4.41Å; F21-V31 HydrophobicContact CD2-CG2 4.42Å; F21-V31 HydrophobicContact CE2-CB 4.27Å; F21-V31 HydrophobicContact CE2-CG1 3.42Å; F21-V31 VanDerWaalsContact CE2-CG1 3.42Å; F21-V31 HydrophobicContact CE2-CG2 3.89Å; F21-V31 HydrophobicContact CZ-CG1 4.01Å; F21-V31 HydrophobicContact CZ-CG2 4.37Å |
| 22 | N | 87.8 | Confident | 83.3 | Confident | 88 Ų | 88 | 103.1 Ų | 103.1 | 47% | 0.471 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.5 | -40.7 | 173.5 | -72.9 | -25.4 | 0 | 0 | 0 | 111.6 | Q18 E19 I20 K26 | Q18-N22 VanDerWaalsContact O-CB 3.29Å; Q18-N22 WeakPolarHBondContact O-CB 3.41Å; Q18-N22 PolarHBondContact O-N 3.49Å; Q18-N22 PolarHBondContact O-ND2 2.73Å; Q18-N22 VanDerWaalsContact O-ND2 3.09Å; E19-N22 PolarHBondContact O-N 2.98Å; I20-N22 PolarHBondContact O-N 3Å; N22-K26 WeakPolarHBondContact O-CD 3.47Å; N22-K26 WeakPolarHBondContact O-CG 3.48Å; N22-K26 PolarHBondContact O-N 3.28Å |
| 23 | L | 89.3 | Confident | 82.5 | Confident | 121 Ų | 121 | 108.6 Ų | 108.6 | 63% | 0.634 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66 | -45.3 | 176.3 | -176 | 63.6 | 0 | 0 | 0 | 112 | E19 I20 F21 H25 K26 N27 | E19-L23 WeakPolarHBondContact O-CB 3.35Å; E19-L23 PolarHBondContact O-N 3.19Å; I20-L23 WeakPolarHBondContact O-CB 3.42Å; I20-L23 PolarHBondContact O-N 3.15Å; F21-L23 VanDerWaalsContact C-N 3.32Å; F21-L23 PolarHBondContact O-N 3.15Å; L23-H25 VanDerWaalsContact C-N 3.34Å; L23-H25 PolarHBondContact O-N 3.36Å; L23-K26 PolarHBondContact O-N 3.5Å; L23-N27 PolarHBondContact O-N 3.3Å; L23-N27 VanDerWaalsContact O-N 3.09Å |
| 24 | L | 85.8 | Confident | 81.7 | Confident | 61 Ų | 61 | 101.2 Ų | 101.2 | 32% | 0.319 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.4 | -42.2 | 177.7 | -69.1 | 171.3 | 0 | 0 | 0 | 111.8 | I20 F21 N27 K28 Q29 | I20-L24 HydrophobicContact CG2-CD1 3.88Å; I20-L24 HydrophobicContact CG2-CG 4.33Å; I20-L24 VanDerWaalsContact O-CG 3.26Å; I20-L24 WeakPolarHBondContact O-CG 3.39Å; I20-L24 PolarHBondContact O-N 3.49Å; F21-L24 PolarHBondContact O-N 3.32Å; L24-N27 CarbonylContact O-C 3.58Å; L24-N27 PolarHBondContact O-N 3.37Å; L24-K28 PolarHBondContact O-N 3.32Å; L24-Q29 HydrophobicContact CD2-CB 4.49Å; L24-Q29 PolarHBondContact O-N 3.28Å; L24-Q29 VanDerWaalsContact O-N 3.09Å |
| 25 | H | 83.6 | Confident | 80.6 | Confident | 94 Ų | 94 | 107 Ų | 107 | 44% | 0.435 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.8 | -40.1 | 175.8 | -75.9 | 171.6 | 0 | 0 | 0 | 113.3 | F21 L23 N27 K28 | F21-H25 AromaticContact CD1-CE1 3.33Å; F21-H25 WeakPolarHBondContact CD1-CE1 3.38Å; F21-H25 AromaticContact CD1-ND1 3.56Å; F21-H25 AromaticContact CE1-CE1 2.86Å; F21-H25 WeakPolarHBondContact CE1-CE1 3.38Å; F21-H25 AromaticContact CE1-ND1 3.6Å; F21-H25 AromaticContact CE1-NE2 3.47Å; F21-H25 WeakPolarHBondContact CE1-NE2 3.37Å; F21-H25 AromaticContact CZ-CE1 3.39Å; F21-H25 WeakPolarHBondContact CZ-CE1 3.27Å; F21-H25 AromaticContact CZ-NE2 3.47Å; F21-H25 WeakPolarHBondContact CZ-NE2 3.48Å; F21-H25 WeakPolarHBondContact O-CB 3.35Å; F21-H25 VanDerWaalsContact O-CG 3.28Å; F21-H25 PolarHBondContact O-N 3.5Å; L23-H25 VanDerWaalsContact C-N 3.34Å; L23-H25 PolarHBondContact O-N 3.36Å; H25-N27 VanDerWaalsContact C-N 3.25Å; H25-N27 PolarHBondContact O-N 3.28Å; H25-K28 PolarHBondContact O-N 2.94Å |
| 26 | K | 86.5 | Confident | 79.5 | Confident | 172 Ų | 172 | 104.9 Ų | 104.9 | 75% | 0.748 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60.6 | -36.9 | 173.9 | -74.4 | 168.8 | -176.7 | -178.6 | 0 | 111.8 | N22 L23 K28 | N22-K26 WeakPolarHBondContact O-CD 3.47Å; N22-K26 WeakPolarHBondContact O-CG 3.48Å; N22-K26 PolarHBondContact O-N 3.28Å; L23-K26 PolarHBondContact O-N 3.5Å; K26-K28 PolarHBondContact O-N 3.24Å |
| 27 | N | 86.1 | Confident | 79.3 | Confident | 112 Ų | 112 | 102.7 Ų | 102.7 | 60% | 0.599 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | 2.2 | 176.9 | -154.1 | -93.9 | 0 | 0 | 0 | 113.5 | L23 L24 H25 Q29 | L23-N27 PolarHBondContact O-N 3.3Å; L23-N27 VanDerWaalsContact O-N 3.09Å; L24-N27 CarbonylContact O-C 3.58Å; L24-N27 PolarHBondContact O-N 3.37Å; H25-N27 VanDerWaalsContact C-N 3.25Å; H25-N27 PolarHBondContact O-N 3.28Å; N27-Q29 HydrophobicContact CB-CG 4.27Å; N27-Q29 PolarHBondContact O-N 3.48Å |
| 28 | K | 77.5 | Confident | 78.9 | Confident | 187 Ų | 187 | 103.6 Ų | 103.6 | 81% | 0.813 | 54% | 0.539 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 28.5 | -177.1 | -57.9 | 178.1 | -179 | 175.5 | 0 | 113.6 | L24 H25 K26 | L24-K28 PolarHBondContact O-N 3.32Å; H25-K28 PolarHBondContact O-N 2.94Å; K26-K28 PolarHBondContact O-N 3.24Å |
| 29 | Q | 73.9 | Confident | 78.3 | Confident | 101 Ų | 101 | 103.7 Ų | 103.7 | 47% | 0.472 | 55% | 0.546 | S | S | . | . | trans | -71.7 | 132 | 175.9 | -71.4 | -170.1 | -10.5 | 0 | 0 | 109.8 | L24 N27 V31 | L24-Q29 HydrophobicContact CD2-CB 4.49Å; L24-Q29 PolarHBondContact O-N 3.28Å; L24-Q29 VanDerWaalsContact O-N 3.09Å; N27-Q29 HydrophobicContact CB-CG 4.27Å; N27-Q29 PolarHBondContact O-N 3.48Å; Q29-V31 PolarHBondContact O-N 3.36Å | ||
| 30 | P | 66.8 | Low | 77.6 | Confident | 97 Ų | 97 | 101.6 Ų | 101.6 | 63% | 0.63 | 54% | 0.537 | S | S | * | . | trans | -70 | 103.5 | -180 | 27.3 | -32.1 | 0 | 0 | 0 | 109.7 | T32 P34 | P30-T32 PolarHBondContact O-N 3.07Å; P30-P34 HydrophobicContact CB-CG 4.48Å | ||
| 31 | V | 66.1 | Low | 77 | Confident | 64 Ų | 64 | 102 Ų | 102 | 39% | 0.388 | 54% | 0.535 | S | S | . | . | S | Bend | trans | -63.5 | -30.5 | 175.9 | 173.7 | 0 | 0 | 0 | 0 | 111.9 | F21 Q29 | F21-V31 HydrophobicContact CD2-CG1 4.41Å; F21-V31 HydrophobicContact CD2-CG2 4.42Å; F21-V31 HydrophobicContact CE2-CB 4.27Å; F21-V31 HydrophobicContact CE2-CG1 3.42Å; F21-V31 VanDerWaalsContact CE2-CG1 3.42Å; F21-V31 HydrophobicContact CE2-CG2 3.89Å; F21-V31 HydrophobicContact CZ-CG1 4.01Å; F21-V31 HydrophobicContact CZ-CG2 4.37Å; Q29-V31 PolarHBondContact O-N 3.36Å |
| 32 | T | 64.9 | Low | 76.4 | Confident | 106 Ų | 106 | 101.6 Ų | 101.6 | 65% | 0.65 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -120.7 | 130.1 | 174.1 | -55.2 | 0 | 0 | 0 | 0 | 107.3 | P30 P34 | P30-T32 PolarHBondContact O-N 3.07Å; T32-P34 WeakPolarHBondContact O-CD 3.48Å |
| 33 | D | 65.3 | Low | 75.4 | Confident | 148 Ų | 148 | 100.6 Ų | 100.6 | 79% | 0.791 | 54% | 0.544 | S | S | * | . | trans | -59.5 | 102.2 | 175.2 | -153.9 | 7.9 | 0 | 0 | 0 | 108.4 | L35 | D33-L35 PolarHBondContact O-N 3.43Š| ||
| 34 | P | 66.9 | Low | 74.2 | Confident | 53 Ų | 53 | 98.1 Ų | 98.1 | 34% | 0.344 | 53% | 0.531 | S | S | . | . | trans | -73.5 | 124.8 | -172 | 26.2 | -22.1 | 0 | 0 | 0 | 106.6 | P30 T32 L36 | P30-P34 HydrophobicContact CB-CG 4.48Å; T32-P34 WeakPolarHBondContact O-CD 3.48Å; P34-L36 PolarHBondContact O-N 3.22Å | ||
| 35 | L | 66.4 | Low | 73.3 | Confident | 179 Ų | 179 | 105.2 Ų | 105.2 | 94% | 0.937 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -54.3 | -12.8 | 179.4 | -62.3 | 178.1 | 0 | 0 | 0 | 114.2 | D33 | D33-L35 PolarHBondContact O-N 3.43Š|
| 36 | L | 69.7 | Low | 72.5 | Confident | 51 Ų | 51 | 105 Ų | 105 | 27% | 0.267 | 57% | 0.567 | S | S | . | * | S | Bend | trans | -139.6 | 126.9 | -179.5 | -145.1 | 76.7 | 0 | 0 | 0 | 110.4 | P34 E40 K41 L44 | P34-L36 PolarHBondContact O-N 3.22Å; L36-E40 VanDerWaalsContact CA-OE2 3.31Å; L36-E40 WeakPolarHBondContact CA-OE2 3.46Å; L36-E40 HydrophobicContact CD1-CB 4.08Å; L36-E40 VanDerWaalsContact CD1-OE2 3.25Å; L36-E40 WeakPolarHBondContact CD1-OE2 3.18Å; L36-E40 HydrophobicContact CD2-CB 3.96Å; L36-E40 HydrophobicContact CG-CB 3.56Å; L36-E40 HydrophobicContact CG-CG 4.45Å; L36-E40 VanDerWaalsContact CG-OE2 3.27Å; L36-E40 WeakPolarHBondContact CG-OE2 3.36Å; L36-K41 HydrophobicContact CB-CG 4.26Å; L36-K41 HydrophobicContact CD2-CG 3.92Å; L36-K41 HydrophobicContact CG-CG 4.45Å; L36-K41 VanDerWaalsContact O-CE 3.3Å; L36-K41 WeakPolarHBondContact O-CE 3.5Å; L36-L44 HydrophobicContact CD2-CD1 3.31Å; L36-L44 HydrophobicContact CD2-CG 4.12Å |
| 37 | T | 84.9 | Confident | 71.3 | Confident | 60 Ų | 60 | 100.1 Ų | 100.1 | 37% | 0.368 | 55% | 0.548 | S | S | . | . | trans | -64.7 | 153.3 | 179.7 | 68 | 0 | 0 | 0 | 0 | 110.5 | V39 E40 K41 | T37-V39 PolarHBondContact O-N 3.35Å; T37-E40 PolarHBondContact N-OE2 2.99Å; T37-E40 PolarHBondContact O-N 3.45Å; T37-E40 VanDerWaalsContact O-N 3.11Å; T37-E40 WeakPolarHBondContact OG1-CB 3.45Å; T37-E40 WeakPolarHBondContact OG1-CG 3.47Å; T37-E40 PolarHBondContact OG1-N 3.05Å; T37-E40 VanDerWaalsContact OG1-N 3.12Å; T37-E40 PolarHBondContact OG1-OE2 3.06Å; T37-K41 WeakPolarHBondContact O-CG 3.4Å; T37-K41 PolarHBondContact O-N 2.97Å | ||
| 38 | P | 79.8 | Confident | 70.9 | Confident | 101 Ų | 101 | 97.3 Ų | 97.3 | 66% | 0.656 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -58.2 | -31 | 176.6 | 21.1 | -31.6 | 0 | 0 | 0 | 112.6 | K41 A42 | P38-K41 PolarHBondContact O-N 2.9Å; P38-A42 PolarHBondContact O-N 3.35Å |
| 39 | V | 76.3 | Confident | 71 | Confident | 103 Ų | 103 | 94.4 Ų | 94.4 | 62% | 0.624 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.8 | -48.6 | 173.5 | 178.8 | 0 | 0 | 0 | 0 | 110.7 | T37 K41 A42 S43 | T37-V39 PolarHBondContact O-N 3.35Å; V39-K41 VanDerWaalsContact C-N 3.28Å; V39-K41 PolarHBondContact O-N 3.08Å; V39-A42 WeakPolarHBondContact O-CB 3.23Å; V39-A42 PolarHBondContact O-N 3.12Å; V39-A42 VanDerWaalsContact O-N 3.08Å; V39-S43 PolarHBondContact O-N 3.27Å; V39-S43 PolarHBondContact O-OG 3.31Å; V39-S43 VanDerWaalsContact O-OG 3.11Å |
| 40 | E | 76 | Confident | 71.4 | Confident | 86 Ų | 86 | 96.7 Ų | 96.7 | 40% | 0.402 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.7 | -36 | 175.9 | -73.9 | 160.9 | -175.3 | 0 | 0 | 112.2 | L36 T37 S43 L44 | L36-E40 VanDerWaalsContact CA-OE2 3.31Å; L36-E40 WeakPolarHBondContact CA-OE2 3.46Å; L36-E40 HydrophobicContact CD1-CB 4.08Å; L36-E40 VanDerWaalsContact CD1-OE2 3.25Å; L36-E40 WeakPolarHBondContact CD1-OE2 3.18Å; L36-E40 HydrophobicContact CD2-CB 3.96Å; L36-E40 HydrophobicContact CG-CB 3.56Å; L36-E40 HydrophobicContact CG-CG 4.45Å; L36-E40 VanDerWaalsContact CG-OE2 3.27Å; L36-E40 WeakPolarHBondContact CG-OE2 3.36Å; T37-E40 PolarHBondContact N-OE2 2.99Å; T37-E40 PolarHBondContact O-N 3.45Å; T37-E40 VanDerWaalsContact O-N 3.11Å; T37-E40 WeakPolarHBondContact OG1-CB 3.45Å; T37-E40 WeakPolarHBondContact OG1-CG 3.47Å; T37-E40 PolarHBondContact OG1-N 3.05Å; T37-E40 VanDerWaalsContact OG1-N 3.12Å; T37-E40 PolarHBondContact OG1-OE2 3.06Å; E40-S43 PolarHBondContact O-N 3.1Å; E40-L44 WeakPolarHBondContact O-CB 3.46Å; E40-L44 VanDerWaalsContact O-CG 3.31Å; E40-L44 WeakPolarHBondContact O-CG 3.23Å; E40-L44 PolarHBondContact O-N 2.99Å |
| 41 | K | 77.5 | Confident | 72.3 | Confident | 94 Ų | 94 | 96.7 Ų | 96.7 | 41% | 0.409 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.1 | -39.3 | 172.5 | -71.1 | 175.6 | -176.7 | 169.7 | 0 | 112 | L36 T37 P38 V39 R45 | L36-K41 HydrophobicContact CB-CG 4.26Å; L36-K41 HydrophobicContact CD2-CG 3.92Å; L36-K41 HydrophobicContact CG-CG 4.45Å; L36-K41 VanDerWaalsContact O-CE 3.3Å; L36-K41 WeakPolarHBondContact O-CE 3.5Å; T37-K41 WeakPolarHBondContact O-CG 3.4Å; T37-K41 PolarHBondContact O-N 2.97Å; P38-K41 PolarHBondContact O-N 2.9Å; V39-K41 VanDerWaalsContact C-N 3.28Å; V39-K41 PolarHBondContact O-N 3.08Å; K41-R45 WeakPolarHBondContact O-CB 3.39Å; K41-R45 VanDerWaalsContact O-CG 3.22Å; K41-R45 WeakPolarHBondContact O-CG 3.44Å; K41-R45 PolarHBondContact O-N 3.21Å |
| 42 | A | 73.9 | Confident | 73.2 | Confident | 56 Ų | 56 | 94.7 Ų | 94.7 | 46% | 0.463 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.1 | -41.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | P38 V39 R45 A46 | P38-A42 PolarHBondContact O-N 3.35Å; V39-A42 WeakPolarHBondContact O-CB 3.23Å; V39-A42 PolarHBondContact O-N 3.12Å; V39-A42 VanDerWaalsContact O-N 3.08Å; A42-R45 CarbonylContact O-C 3.57Å; A42-R45 WeakPolarHBondContact O-CB 3.45Å; A42-R45 PolarHBondContact O-N 3.49Å; A42-R45 VanDerWaalsContact O-N 3.14Å; A42-A46 WeakPolarHBondContact O-CB 3.5Å; A42-A46 PolarHBondContact O-N 3.2Å |
| 43 | S | 66.1 | Low | 74.3 | Confident | 67 Ų | 67 | 96.9 Ų | 96.9 | 47% | 0.469 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.9 | -39.2 | 174.6 | -55.8 | 0 | 0 | 0 | 0 | 112.7 | V39 E40 R45 A46 M47 | V39-S43 PolarHBondContact O-N 3.27Å; V39-S43 PolarHBondContact O-OG 3.31Å; V39-S43 VanDerWaalsContact O-OG 3.11Å; E40-S43 PolarHBondContact O-N 3.1Å; S43-R45 VanDerWaalsContact C-N 3.26Å; S43-R45 PolarHBondContact O-N 3.19Å; S43-A46 PolarHBondContact O-N 3.41Å; S43-M47 PolarHBondContact O-N 3.23Å; S43-M47 VanDerWaalsContact O-N 3.1Å |
| 44 | L | 65.1 | Low | 75.6 | Confident | 69 Ų | 69 | 94.8 Ų | 94.8 | 36% | 0.361 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70.5 | -19.2 | 172.8 | -75.8 | -167.3 | 0 | 0 | 0 | 113.9 | L36 E40 M47 A52 | L36-L44 HydrophobicContact CD2-CD1 3.31Å; L36-L44 HydrophobicContact CD2-CG 4.12Å; E40-L44 WeakPolarHBondContact O-CB 3.46Å; E40-L44 VanDerWaalsContact O-CG 3.31Å; E40-L44 WeakPolarHBondContact O-CG 3.23Å; E40-L44 PolarHBondContact O-N 2.99Å; L44-M47 CarbonylContact C-O 3.56Å; L44-A52 HydrophobicContact CD2-CB 3.56Å |
| 45 | R | 66.1 | Low | 76.7 | Confident | 210 Ų | 210 | 99 Ų | 99 | 79% | 0.792 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -87.3 | -29.4 | 170.8 | -75 | 172.9 | -173.7 | -178.6 | 0.9 | 112 | K41 A42 S43 M47 | K41-R45 WeakPolarHBondContact O-CB 3.39Å; K41-R45 VanDerWaalsContact O-CG 3.22Å; K41-R45 WeakPolarHBondContact O-CG 3.44Å; K41-R45 PolarHBondContact O-N 3.21Å; A42-R45 CarbonylContact O-C 3.57Å; A42-R45 WeakPolarHBondContact O-CB 3.45Å; A42-R45 PolarHBondContact O-N 3.49Å; A42-R45 VanDerWaalsContact O-N 3.14Å; S43-R45 VanDerWaalsContact C-N 3.26Å; S43-R45 PolarHBondContact O-N 3.19Å; R45-M47 VanDerWaalsContact C-N 3.31Å; R45-M47 CarbonylContact C-O 3.56Å |
| 46 | A | 66.2 | Low | 77.9 | Confident | 88 Ų | 88 | 98.5 Ų | 98.5 | 73% | 0.727 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -71.9 | -27.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A42 S43 | A42-A46 WeakPolarHBondContact O-CB 3.5Å; A42-A46 PolarHBondContact O-N 3.2Å; S43-A46 PolarHBondContact O-N 3.41Å |
| 47 | M | 61.1 | Low | 79.2 | Confident | 70 Ų | 70 | 97.3 Ų | 97.3 | 35% | 0.345 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -94.7 | 151.8 | 164 | -59.3 | -72.6 | -83.8 | 0 | 0 | 109 | S43 L44 R45 E51 | S43-M47 PolarHBondContact O-N 3.23Å; S43-M47 VanDerWaalsContact O-N 3.1Å; L44-M47 CarbonylContact C-O 3.56Å; R45-M47 VanDerWaalsContact C-N 3.31Å; R45-M47 CarbonylContact C-O 3.56Å; M47-E51 HydrophobicContact CE-CB 4.44Å |
| 48 | S | 79.4 | Confident | 79.7 | Confident | 54 Ų | 54 | 98.8 Ų | 98.8 | 38% | 0.378 | 50% | 0.504 | S | S | . | . | trans | -65 | 150.2 | 170.3 | 67.1 | 0 | 0 | 0 | 0 | 110.6 | E50 E51 A52 | S48-E50 PolarHBondContact O-N 3.36Å; S48-E50 VanDerWaalsContact O-N 3.14Å; S48-E51 WeakPolarHBondContact CB-OE2 3.47Å; S48-E51 PolarHBondContact N-OE2 3.42Å; S48-E51 PolarHBondContact O-N 2.88Å; S48-E51 WeakPolarHBondContact OG-CB 3.5Å; S48-E51 WeakPolarHBondContact OG-CG 3.4Å; S48-E51 PolarHBondContact OG-N 3.24Å; S48-E51 PolarHBondContact OG-OE2 3.17Å; S48-A52 PolarHBondContact O-N 2.9Å | ||
| 49 | L | 78.1 | Confident | 80.5 | Confident | 125 Ų | 125 | 100 Ų | 100 | 65% | 0.654 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.5 | -28.6 | 178.4 | -68.7 | 176.7 | 0 | 0 | 0 | 112.4 | K53 | L49-K53 VanDerWaalsContact O-CG 3.29Å; L49-K53 WeakPolarHBondContact O-CG 3.42Å; L49-K53 PolarHBondContact O-N 3.2Å |
| 50 | E | 82.3 | Confident | 81.5 | Confident | 149 Ų | 149 | 101 Ų | 101 | 70% | 0.696 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -73.1 | -47.8 | 177.6 | -65.6 | -179.5 | 176.4 | 0 | 0 | 111.2 | S48 A52 K53 M54 | S48-E50 PolarHBondContact O-N 3.36Å; S48-E50 VanDerWaalsContact O-N 3.14Å; E50-A52 VanDerWaalsContact C-N 3.3Å; E50-A52 PolarHBondContact O-N 2.97Å; E50-K53 WeakPolarHBondContact O-CB 3.46Å; E50-K53 PolarHBondContact O-N 3.46Å; E50-K53 VanDerWaalsContact O-N 3.13Å; E50-M54 WeakPolarHBondContact O-CG 3.47Å; E50-M54 PolarHBondContact O-N 2.65Å |
| 51 | E | 85.6 | Confident | 82.5 | Confident | 98 Ų | 98 | 104.3 Ų | 104.3 | 46% | 0.458 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.4 | -39.8 | 174.7 | -73.3 | 163.6 | 154.3 | 0 | 0 | 112 | M47 S48 K53 M54 R55 | M47-E51 HydrophobicContact CE-CB 4.44Å; S48-E51 WeakPolarHBondContact CB-OE2 3.47Å; S48-E51 PolarHBondContact N-OE2 3.42Å; S48-E51 PolarHBondContact O-N 2.88Å; S48-E51 WeakPolarHBondContact OG-CB 3.5Å; S48-E51 WeakPolarHBondContact OG-CG 3.4Å; S48-E51 PolarHBondContact OG-N 3.24Å; S48-E51 PolarHBondContact OG-OE2 3.17Å; E51-K53 VanDerWaalsContact C-N 3.33Å; E51-K53 PolarHBondContact O-N 3.36Å; E51-M54 PolarHBondContact O-N 2.91Å; E51-R55 WeakPolarHBondContact O-CB 3.5Å; E51-R55 VanDerWaalsContact O-CG 3.3Å; E51-R55 WeakPolarHBondContact O-CG 3.39Å; E51-R55 PolarHBondContact O-N 3.28Å |
| 52 | A | 85.3 | Confident | 83.5 | Confident | 22 Ų | 22 | 101.8 Ų | 101.8 | 18% | 0.182 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -60.7 | -41.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L44 S48 E50 R56 | L44-A52 HydrophobicContact CD2-CB 3.56Å; S48-A52 PolarHBondContact O-N 2.9Å; E50-A52 VanDerWaalsContact C-N 3.3Å; E50-A52 PolarHBondContact O-N 2.97Å; A52-R56 WeakPolarHBondContact O-CB 3.26Å; A52-R56 PolarHBondContact O-N 3.04Å |
| 53 | K | 88.3 | Confident | 84.6 | Confident | 152 Ų | 152 | 108.4 Ų | 108.4 | 66% | 0.661 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.8 | -42.6 | 175.1 | -73.5 | 171.2 | -176.6 | 177 | 0 | 111.1 | L49 E50 E51 R56 A57 | L49-K53 VanDerWaalsContact O-CG 3.29Å; L49-K53 WeakPolarHBondContact O-CG 3.42Å; L49-K53 PolarHBondContact O-N 3.2Å; E50-K53 WeakPolarHBondContact O-CB 3.46Å; E50-K53 PolarHBondContact O-N 3.46Å; E50-K53 VanDerWaalsContact O-N 3.13Å; E51-K53 VanDerWaalsContact C-N 3.33Å; E51-K53 PolarHBondContact O-N 3.36Å; K53-R56 PolarHBondContact O-N 3.02Å; K53-A57 WeakPolarHBondContact O-CB 3.5Å; K53-A57 PolarHBondContact O-N 3.12Å |
| 54 | M | 92.1 | Very high | 86.1 | Confident | 103 Ų | 103 | 107 Ų | 107 | 51% | 0.507 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.2 | -49.1 | 178 | -70.9 | -59 | -70.2 | 0 | 0 | 111.8 | E50 E51 R56 A57 E58 | E50-M54 WeakPolarHBondContact O-CG 3.47Å; E50-M54 PolarHBondContact O-N 2.65Å; E51-M54 PolarHBondContact O-N 2.91Å; M54-R56 VanDerWaalsContact C-N 3.3Å; M54-R56 PolarHBondContact O-N 3Å; M54-A57 WeakPolarHBondContact O-CB 3.48Å; M54-A57 PolarHBondContact O-N 3.3Å; M54-A57 VanDerWaalsContact O-N 3.1Å; M54-E58 WeakPolarHBondContact O-CG 3.5Å; M54-E58 PolarHBondContact O-N 2.98Å |
| 55 | R | 89.9 | Confident | 87.7 | Confident | 143 Ų | 143 | 108.3 Ų | 108.3 | 54% | 0.54 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.6 | -39.1 | 176.2 | -67.6 | -65 | 176.9 | 83 | 3.7 | 112.1 | E51 E58 L59 | E51-R55 WeakPolarHBondContact O-CB 3.5Å; E51-R55 VanDerWaalsContact O-CG 3.3Å; E51-R55 WeakPolarHBondContact O-CG 3.39Å; E51-R55 PolarHBondContact O-N 3.28Å; R55-E58 WeakPolarHBondContact CD-OE2 3.34Å; R55-E58 IonicContact NE-OE2 3.97Å; R55-E58 PolarHBondContact O-N 3.44Å; R55-L59 WeakPolarHBondContact O-CB 3.4Å; R55-L59 VanDerWaalsContact O-CG 3.28Å; R55-L59 WeakPolarHBondContact O-CG 3.27Å; R55-L59 PolarHBondContact O-N 3.16Å |
| 56 | R | 93.3 | Very high | 89.2 | Confident | 167 Ų | 167 | 104.2 Ų | 104.2 | 63% | 0.63 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.1 | -44.2 | 174.4 | -176.3 | 176 | -120.5 | 159.4 | 0.5 | 111.5 | A52 K53 M54 L59 Q60 | A52-R56 WeakPolarHBondContact O-CB 3.26Å; A52-R56 PolarHBondContact O-N 3.04Å; K53-R56 PolarHBondContact O-N 3.02Å; M54-R56 VanDerWaalsContact C-N 3.3Å; M54-R56 PolarHBondContact O-N 3Å; R56-L59 PolarHBondContact O-N 2.93Å; R56-Q60 WeakPolarHBondContact O-CB 3.48Å; R56-Q60 VanDerWaalsContact O-CG 3.27Å; R56-Q60 WeakPolarHBondContact O-CG 3.48Å; R56-Q60 PolarHBondContact O-N 3.38Å |
| 57 | A | 95.3 | Very high | 90.7 | Very high | 26 Ų | 26 | 102.6 Ų | 102.6 | 22% | 0.215 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -64 | -41.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | K53 M54 Q60 R61 | K53-A57 WeakPolarHBondContact O-CB 3.5Å; K53-A57 PolarHBondContact O-N 3.12Å; M54-A57 WeakPolarHBondContact O-CB 3.48Å; M54-A57 PolarHBondContact O-N 3.3Å; M54-A57 VanDerWaalsContact O-N 3.1Å; A57-Q60 PolarHBondContact O-N 3Å; A57-R61 VanDerWaalsContact O-CG 3.27Å; A57-R61 WeakPolarHBondContact O-CG 3.26Å; A57-R61 PolarHBondContact O-N 3.04Å |
| 58 | E | 96.1 | Very high | 92.4 | Very high | 91 Ų | 91 | 107 Ų | 107 | 43% | 0.425 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.9 | -48 | 174.3 | -72.5 | 168.3 | -171.9 | 0 | 0 | 112.1 | M54 R55 Q60 R61 A62 | M54-E58 WeakPolarHBondContact O-CG 3.5Å; M54-E58 PolarHBondContact O-N 2.98Å; R55-E58 WeakPolarHBondContact CD-OE2 3.34Å; R55-E58 IonicContact NE-OE2 3.97Å; R55-E58 PolarHBondContact O-N 3.44Å; E58-Q60 VanDerWaalsContact C-N 3.33Å; E58-Q60 PolarHBondContact O-N 3.45Å; E58-R61 WeakPolarHBondContact O-CB 3.43Å; E58-R61 PolarHBondContact O-N 3.25Å; E58-A62 WeakPolarHBondContact O-CB 3.33Å; E58-A62 PolarHBondContact O-N 3.35Å |
| 59 | L | 96.9 | Very high | 93.3 | Very high | 127 Ų | 127 | 112.3 Ų | 112.3 | 67% | 0.665 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.7 | -40.5 | 177 | -74.4 | 174.6 | 0 | 0 | 0 | 112.1 | R55 R56 A62 R63 | R55-L59 WeakPolarHBondContact O-CB 3.4Å; R55-L59 VanDerWaalsContact O-CG 3.28Å; R55-L59 WeakPolarHBondContact O-CG 3.27Å; R55-L59 PolarHBondContact O-N 3.16Å; R56-L59 PolarHBondContact O-N 2.93Å; L59-A62 PolarHBondContact O-N 3.06Å; L59-R63 WeakPolarHBondContact O-CB 3.25Å; L59-R63 PolarHBondContact O-N 3.16Å |
| 60 | Q | 97.1 | Very high | 94.3 | Very high | 125 Ų | 125 | 110.9 Ų | 110.9 | 58% | 0.584 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.6 | -44 | 174.9 | -76.1 | 175.5 | -12.6 | 0 | 0 | 111.5 | R56 A57 E58 R63 A64 | R56-Q60 WeakPolarHBondContact O-CB 3.48Å; R56-Q60 VanDerWaalsContact O-CG 3.27Å; R56-Q60 WeakPolarHBondContact O-CG 3.48Å; R56-Q60 PolarHBondContact O-N 3.38Å; A57-Q60 PolarHBondContact O-N 3Å; E58-Q60 VanDerWaalsContact C-N 3.33Å; E58-Q60 PolarHBondContact O-N 3.45Å; Q60-R63 PolarHBondContact O-N 3.08Å; Q60-A64 WeakPolarHBondContact O-CB 3.39Å; Q60-A64 PolarHBondContact O-N 3.02Å |
| 61 | R | 97.6 | Very high | 95 | Very high | 155 Ų | 155 | 106.4 Ų | 106.4 | 59% | 0.585 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.7 | -46.6 | 175.4 | -72 | 170.7 | -173.9 | 146.7 | 0.4 | 111.6 | A57 E58 R63 A64 L65 | A57-R61 VanDerWaalsContact O-CG 3.27Å; A57-R61 WeakPolarHBondContact O-CG 3.26Å; A57-R61 PolarHBondContact O-N 3.04Å; E58-R61 WeakPolarHBondContact O-CB 3.43Å; E58-R61 PolarHBondContact O-N 3.25Å; R61-R63 PolarHBondContact O-N 3.35Å; R61-A64 PolarHBondContact O-N 3.05Å; R61-L65 WeakPolarHBondContact O-CG 3.49Å; R61-L65 PolarHBondContact O-N 3.09Å |
| 62 | A | 97.4 | Very high | 95.6 | Very high | 41 Ų | 41 | 107.6 Ų | 107.6 | 34% | 0.339 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.2 | -45.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E58 L59 A64 L65 Q66 | E58-A62 WeakPolarHBondContact O-CB 3.33Å; E58-A62 PolarHBondContact O-N 3.35Å; L59-A62 PolarHBondContact O-N 3.06Å; A62-A64 VanDerWaalsContact C-N 3.33Å; A62-A64 PolarHBondContact O-N 3.02Å; A62-L65 PolarHBondContact O-N 3.2Å; A62-Q66 WeakPolarHBondContact O-CG 3.35Å; A62-Q66 PolarHBondContact O-N 3.49Å |
| 63 | R | 97.6 | Very high | 96.1 | Very high | 195 Ų | 195 | 109.2 Ų | 109.2 | 74% | 0.736 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.1 | -43.2 | 176.1 | -176.5 | -178.9 | -76.2 | 176.5 | -4.2 | 111.5 | L59 Q60 R61 S67 | L59-R63 WeakPolarHBondContact O-CB 3.25Å; L59-R63 PolarHBondContact O-N 3.16Å; Q60-R63 PolarHBondContact O-N 3.08Å; R61-R63 PolarHBondContact O-N 3.35Å; R63-S67 WeakPolarHBondContact O-CB 3.46Å; R63-S67 PolarHBondContact O-N 3.16Å |
| 64 | A | 97.6 | Very high | 96.6 | Very high | 37 Ų | 37 | 109 Ų | 109 | 31% | 0.306 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.8 | -48.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q60 R61 A62 Q66 S67 Y68 | Q60-A64 WeakPolarHBondContact O-CB 3.39Å; Q60-A64 PolarHBondContact O-N 3.02Å; R61-A64 PolarHBondContact O-N 3.05Å; A62-A64 VanDerWaalsContact C-N 3.33Å; A62-A64 PolarHBondContact O-N 3.02Å; A64-Q66 PolarHBondContact O-N 3.17Å; A64-S67 PolarHBondContact O-N 3.07Å; A64-S67 PolarHBondContact O-OG 3.3Å; A64-Y68 HydrophobicContact CB-CE2 4.32Å; A64-Y68 WeakPolarHBondContact O-CD2 3.49Å; A64-Y68 PolarHBondContact O-N 3.38Å |
| 65 | L | 97.7 | Very high | 96.8 | Very high | 96 Ų | 96 | 112.9 Ų | 112.9 | 50% | 0.503 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.7 | -48.5 | 178.1 | -72.9 | 173.9 | 0 | 0 | 0 | 112.3 | R61 A62 S67 Y68 Y69 | R61-L65 WeakPolarHBondContact O-CG 3.49Å; R61-L65 PolarHBondContact O-N 3.09Å; A62-L65 PolarHBondContact O-N 3.2Å; L65-S67 VanDerWaalsContact C-N 3.32Å; L65-S67 PolarHBondContact O-N 3.33Å; L65-Y68 PolarHBondContact O-N 3.36Å; L65-Y69 HydrophobicContact CB-CE2 4.41Å; L65-Y69 WeakPolarHBondContact O-CD2 3.25Å; L65-Y69 PolarHBondContact O-N 3.24Å |
| 66 | Q | 97.6 | Very high | 97 | Very high | 124 Ų | 124 | 109.7 Ų | 109.7 | 58% | 0.579 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -57.2 | -46.8 | 176.1 | -72.6 | 174.2 | -13.2 | 0 | 0 | 111.3 | A62 A64 Y68 Y69 E70 | A62-Q66 WeakPolarHBondContact O-CG 3.35Å; A62-Q66 PolarHBondContact O-N 3.49Å; A64-Q66 PolarHBondContact O-N 3.17Å; Q66-Y68 VanDerWaalsContact C-N 3.29Å; Q66-Y68 PolarHBondContact O-N 3.17Å; Q66-Y69 PolarHBondContact O-N 3.01Å; Q66-E70 WeakPolarHBondContact O-CG 3.34Å; Q66-E70 PolarHBondContact O-N 3.13Å |
| 67 | S | 98.1 | Very high | 97.1 | Very high | 55 Ų | 55 | 109.6 Ų | 109.6 | 39% | 0.385 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.3 | -37.7 | 178.5 | 78.6 | 0 | 0 | 0 | 0 | 112.8 | R63 A64 L65 A71 | R63-S67 WeakPolarHBondContact O-CB 3.46Å; R63-S67 PolarHBondContact O-N 3.16Å; A64-S67 PolarHBondContact O-N 3.07Å; A64-S67 PolarHBondContact O-OG 3.3Å; L65-S67 VanDerWaalsContact C-N 3.32Å; L65-S67 PolarHBondContact O-N 3.33Å; S67-A71 VanDerWaalsContact O-CB 3.28Å; S67-A71 WeakPolarHBondContact O-CB 3.28Å; S67-A71 PolarHBondContact O-N 3.33Å |
| 68 | Y | 98.1 | Very high | 97.2 | Very high | 163 Ų | 163 | 116.4 Ų | 116.4 | 64% | 0.639 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -68.1 | -43.3 | 176.1 | -68.9 | -45.1 | 0 | 0 | 0 | 112.1 | A64 L65 Q66 A71 K72 | A64-Y68 HydrophobicContact CB-CE2 4.32Å; A64-Y68 WeakPolarHBondContact O-CD2 3.49Å; A64-Y68 PolarHBondContact O-N 3.38Å; L65-Y68 PolarHBondContact O-N 3.36Å; Q66-Y68 VanDerWaalsContact C-N 3.29Å; Q66-Y68 PolarHBondContact O-N 3.17Å; Y68-A71 PolarHBondContact O-N 2.78Å; Y68-K72 VanDerWaalsContact O-CB 3.28Å; Y68-K72 WeakPolarHBondContact O-CB 3.39Å; Y68-K72 PolarHBondContact O-N 3.5Å |
| 69 | Y | 98.2 | Very high | 97.2 | Very high | 165 Ų | 165 | 114.4 Ų | 114.4 | 65% | 0.647 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.9 | -44.1 | 175.3 | -74.1 | -60.6 | 0 | 0 | 0 | 111.6 | L65 Q66 K72 A73 | L65-Y69 HydrophobicContact CB-CE2 4.41Å; L65-Y69 WeakPolarHBondContact O-CD2 3.25Å; L65-Y69 PolarHBondContact O-N 3.24Å; Q66-Y69 PolarHBondContact O-N 3.01Å; Y69-K72 PolarHBondContact O-N 3.45Å; Y69-A73 WeakPolarHBondContact O-CB 3.42Å; Y69-A73 PolarHBondContact O-N 3.25Å |
| 70 | E | 97.9 | Very high | 97.1 | Very high | 95 Ų | 95 | 115.7 Ų | 115.7 | 44% | 0.444 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.9 | -47.3 | 175.4 | -73.7 | -175.5 | -159.5 | 0 | 0 | 112.3 | Q66 K72 A73 R74 | Q66-E70 WeakPolarHBondContact O-CG 3.34Å; Q66-E70 PolarHBondContact O-N 3.13Å; E70-K72 VanDerWaalsContact C-N 3.31Å; E70-K72 PolarHBondContact O-N 3.46Å; E70-A73 PolarHBondContact O-N 2.93Å; E70-R74 WeakPolarHBondContact O-CB 3.46Å; E70-R74 WeakPolarHBondContact O-CG 3.43Å; E70-R74 PolarHBondContact O-N 3.03Å; E70-R74 IonicContact OE2-CZ 3.47Å; E70-R74 IonicContact OE2-NH1 3.16Å; E70-R74 PolarHBondContact OE2-NH1 2.88Å; E70-R74 VanDerWaalsContact OE2-NH1 3.16Å; E70-R74 IonicContact OE2-NH2 2.9Å; E70-R74 PolarHBondContact OE2-NH2 3.32Å |
| 71 | A | 98 | Very high | 97.1 | Very high | 54 Ų | 54 | 112.7 Ų | 112.7 | 45% | 0.446 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.1 | -42.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | S67 Y68 R74 R75 | S67-A71 VanDerWaalsContact O-CB 3.28Å; S67-A71 WeakPolarHBondContact O-CB 3.28Å; S67-A71 PolarHBondContact O-N 3.33Å; Y68-A71 PolarHBondContact O-N 2.78Å; A71-R74 PolarHBondContact O-N 3.33Å; A71-R75 WeakPolarHBondContact O-CB 3.34Å; A71-R75 PolarHBondContact O-N 2.84Å |
| 72 | K | 97.3 | Very high | 97 | Very high | 124 Ų | 124 | 114.1 Ų | 114.1 | 54% | 0.539 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.2 | -52.6 | 173.7 | -176.1 | 174.3 | 177.4 | 176.6 | 0 | 110.8 | Y68 Y69 E70 R74 R75 E76 | Y68-K72 VanDerWaalsContact O-CB 3.28Å; Y68-K72 WeakPolarHBondContact O-CB 3.39Å; Y68-K72 PolarHBondContact O-N 3.5Å; Y69-K72 PolarHBondContact O-N 3.45Å; E70-K72 VanDerWaalsContact C-N 3.31Å; E70-K72 PolarHBondContact O-N 3.46Å; K72-R74 VanDerWaalsContact C-N 3.31Å; K72-R74 PolarHBondContact O-N 3.41Å; K72-R75 WeakPolarHBondContact O-CA 3.27Å; K72-R75 WeakPolarHBondContact O-CB 3.47Å; K72-R75 PolarHBondContact O-N 3.2Å; K72-E76 WeakPolarHBondContact CE-OE1 3.19Å; K72-E76 HydrophobicContact CG-CG 4.3Å; K72-E76 WeakPolarHBondContact CG-OE1 3.26Å; K72-E76 VanDerWaalsContact O-CG 3.32Å; K72-E76 WeakPolarHBondContact O-CG 3.26Å; K72-E76 PolarHBondContact O-N 2.91Å |
| 73 | A | 96.9 | Very high | 97 | Very high | 56 Ų | 56 | 120.1 Ų | 120.1 | 46% | 0.463 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -57.9 | -42.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y69 E70 R75 E76 K77 | Y69-A73 WeakPolarHBondContact O-CB 3.42Å; Y69-A73 PolarHBondContact O-N 3.25Å; E70-A73 PolarHBondContact O-N 2.93Å; A73-R75 PolarHBondContact O-N 3.31Å; A73-E76 PolarHBondContact O-N 3.31Å; A73-K77 WeakPolarHBondContact O-CB 3.27Å; A73-K77 PolarHBondContact O-N 3.5Å |
| 74 | R | 97.3 | Very high | 97 | Very high | 147 Ų | 147 | 113.6 Ų | 113.6 | 56% | 0.555 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.2 | -43.4 | 174 | -73.4 | -174.3 | -170.8 | 105.3 | 7.1 | 111.5 | E70 A71 K72 K77 K78 | E70-R74 WeakPolarHBondContact O-CB 3.46Å; E70-R74 WeakPolarHBondContact O-CG 3.43Å; E70-R74 PolarHBondContact O-N 3.03Å; E70-R74 IonicContact OE2-CZ 3.47Å; E70-R74 IonicContact OE2-NH1 3.16Å; E70-R74 PolarHBondContact OE2-NH1 2.88Å; E70-R74 VanDerWaalsContact OE2-NH1 3.16Å; E70-R74 IonicContact OE2-NH2 2.9Å; E70-R74 PolarHBondContact OE2-NH2 3.32Å; A71-R74 PolarHBondContact O-N 3.33Å; K72-R74 VanDerWaalsContact C-N 3.31Å; K72-R74 PolarHBondContact O-N 3.41Å; R74-K77 PolarHBondContact O-N 2.91Å; R74-K78 WeakPolarHBondContact O-CG 3.35Å; R74-K78 PolarHBondContact O-N 3.39Å; R74-K78 VanDerWaalsContact O-N 3.1Å |
| 75 | R | 96.4 | Very high | 96.9 | Very high | 185 Ų | 185 | 115.3 Ų | 115.3 | 70% | 0.698 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.7 | -49.8 | 176.4 | -176 | 179.1 | -175.9 | 154 | 0.8 | 111.2 | A71 K72 A73 K77 K78 I79 | A71-R75 WeakPolarHBondContact O-CB 3.34Å; A71-R75 PolarHBondContact O-N 2.84Å; K72-R75 WeakPolarHBondContact O-CA 3.27Å; K72-R75 WeakPolarHBondContact O-CB 3.47Å; K72-R75 PolarHBondContact O-N 3.2Å; A73-R75 PolarHBondContact O-N 3.31Å; R75-K77 VanDerWaalsContact C-N 3.27Å; R75-K77 PolarHBondContact O-N 3.16Å; R75-K78 WeakPolarHBondContact O-CA 3.35Å; R75-K78 WeakPolarHBondContact O-CB 3.46Å; R75-K78 PolarHBondContact O-N 3.47Å; R75-I79 WeakPolarHBondContact O-CG1 3.42Å; R75-I79 PolarHBondContact O-N 2.97Å |
| 76 | E | 95.3 | Very high | 96.9 | Very high | 75 Ų | 75 | 117 Ų | 117 | 35% | 0.35 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -59.1 | -38.1 | 179.2 | -64.4 | -176.2 | -179.8 | 0 | 0 | 112.1 | K72 A73 K78 I79 Y84 | K72-E76 WeakPolarHBondContact CE-OE1 3.19Å; K72-E76 HydrophobicContact CG-CG 4.3Å; K72-E76 WeakPolarHBondContact CG-OE1 3.26Å; K72-E76 VanDerWaalsContact O-CG 3.32Å; K72-E76 WeakPolarHBondContact O-CG 3.26Å; K72-E76 PolarHBondContact O-N 2.91Å; A73-E76 PolarHBondContact O-N 3.31Å; E76-K78 VanDerWaalsContact C-N 3.35Å; E76-I79 PolarHBondContact O-N 2.86Å; E76-Y84 WeakPolarHBondContact CB-OH 3.24Å; E76-Y84 WeakPolarHBondContact CG-OH 3.29Å |
| 77 | K | 94.5 | Very high | 96.9 | Very high | 165 Ų | 165 | 115.4 Ų | 115.4 | 72% | 0.717 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.3 | -32.7 | 174.4 | -174.6 | 178.4 | 179.6 | 179.4 | 0 | 112.9 | A73 R74 R75 K80 | A73-K77 WeakPolarHBondContact O-CB 3.27Å; A73-K77 PolarHBondContact O-N 3.5Å; R74-K77 PolarHBondContact O-N 2.91Å; R75-K77 VanDerWaalsContact C-N 3.27Å; R75-K77 PolarHBondContact O-N 3.16Å; K77-K80 PolarHBondContact O-NZ 3.11Å |
| 78 | K | 96.8 | Very high | 96.8 | Very high | 169 Ų | 169 | 114.6 Ų | 114.6 | 74% | 0.735 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -76.7 | -27 | 178.2 | -77.1 | -178.4 | 179.3 | -170.6 | 0 | 112.8 | R74 R75 E76 K80 | R74-K78 WeakPolarHBondContact O-CG 3.35Å; R74-K78 PolarHBondContact O-N 3.39Å; R74-K78 VanDerWaalsContact O-N 3.1Å; R75-K78 WeakPolarHBondContact O-CA 3.35Å; R75-K78 WeakPolarHBondContact O-CB 3.46Å; R75-K78 PolarHBondContact O-N 3.47Å; E76-K78 VanDerWaalsContact C-N 3.35Å; K78-K80 WeakPolarHBondContact O-CG 3.36Å; K78-K80 PolarHBondContact O-N 3.48Å |
| 79 | I | 96.5 | Very high | 96.8 | Very high | 49 Ų | 49 | 114.3 Ų | 114.3 | 25% | 0.251 | 53% | 0.528 | S | S | . | . | trans | -65.5 | 121.9 | 174.3 | -61.1 | 166.1 | 0 | 0 | 0 | 108.3 | R75 E76 Y84 H85 | R75-I79 WeakPolarHBondContact O-CG1 3.42Å; R75-I79 PolarHBondContact O-N 2.97Å; E76-I79 PolarHBondContact O-N 2.86Å; I79-Y84 HydrophobicContact CB-CD1 3.82Å; I79-Y84 HydrophobicContact CB-CE1 3.95Å; I79-Y84 HydrophobicContact CB-CG 4.28Å; I79-Y84 HydrophobicContact CD1-CD1 4.34Å; I79-Y84 HydrophobicContact CD1-CD2 4.08Å; I79-Y84 HydrophobicContact CD1-CE1 4.02Å; I79-Y84 HydrophobicContact CD1-CE2 3.74Å; I79-Y84 HydrophobicContact CD1-CG 4.38Å; I79-Y84 HydrophobicContact CG2-CD1 3.35Å; I79-Y84 HydrophobicContact CG2-CD2 4.13Å; I79-Y84 HydrophobicContact CG2-CE1 4Å; I79-Y84 HydrophobicContact CG2-CG 3.43Å; I79-Y84 VanDerWaalsContact CG2-CG 3.43Å; I79-H85 PolarHBondContact O-CE1 3.29Å; I79-H85 VanDerWaalsContact O-CE1 3.26Å; I79-H85 PolarHBondContact O-NE2 3.02Å | ||
| 80 | K | 95.6 | Very high | 96.8 | Very high | 155 Ų | 155 | 112.3 Ų | 112.3 | 67% | 0.674 | 52% | 0.522 | S | S | * | . | trans | -112.5 | 2.1 | 179.6 | -58.4 | -51.8 | -175 | -169.7 | 0 | 113.8 | K77 K78 K82 | K77-K80 PolarHBondContact O-NZ 3.11Å; K78-K80 WeakPolarHBondContact O-CG 3.36Å; K78-K80 PolarHBondContact O-N 3.48Å; K80-K82 PolarHBondContact O-N 3.06Å | ||
| 81 | S | 96.8 | Very high | 96.7 | Very high | 62 Ų | 62 | 109.1 Ų | 109.1 | 43% | 0.434 | 52% | 0.515 | S | S | . | . | trans | -68.8 | 133.8 | -177.2 | 67 | 0 | 0 | 0 | 0 | 111.1 | K83 Y84 H85 | S81-K83 VanDerWaalsContact C-N 3.29Å; S81-K83 PolarHBondContact O-N 2.98Å; S81-Y84 PolarHBondContact O-N 2.98Å; S81-Y84 WeakPolarHBondContact OG-CB 3.29Å; S81-H85 PolarHBondContact O-CD2 3.43Å; S81-H85 PolarHBondContact O-N 2.99Å | ||
| 82 | K | 95.4 | Very high | 96.7 | Very high | 184 Ų | 184 | 113.5 Ų | 113.5 | 80% | 0.8 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.8 | -40.3 | 179.8 | -172.3 | 178.3 | -178.3 | -179.7 | 0 | 111.7 | K80 H85 K86 | K80-K82 PolarHBondContact O-N 3.06Å; K82-H85 PolarHBondContact O-N 3.35Å; K82-K86 WeakPolarHBondContact O-CB 3.39Å; K82-K86 PolarHBondContact O-N 3.35Å |
| 83 | K | 97.8 | Very high | 96.6 | Very high | 167 Ų | 167 | 110.1 Ų | 110.1 | 73% | 0.726 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58.7 | -48.2 | 178 | -173.6 | 171.9 | -179.8 | 174.2 | 0 | 111.1 | S81 K86 V87 | S81-K83 VanDerWaalsContact C-N 3.29Å; S81-K83 PolarHBondContact O-N 2.98Å; K83-K86 PolarHBondContact O-N 2.95Å; K83-V87 WeakPolarHBondContact O-CG2 3.39Å; K83-V87 PolarHBondContact O-N 2.91Å |
| 84 | Y | 96.9 | Very high | 96.6 | Very high | 59 Ų | 59 | 114.1 Ų | 114.1 | 23% | 0.231 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -58 | -52.7 | 177.5 | 174 | -100.3 | 0 | 0 | 0 | 111.9 | E76 I79 S81 K86 V87 V88 | E76-Y84 WeakPolarHBondContact CB-OH 3.24Å; E76-Y84 WeakPolarHBondContact CG-OH 3.29Å; I79-Y84 HydrophobicContact CB-CD1 3.82Å; I79-Y84 HydrophobicContact CB-CE1 3.95Å; I79-Y84 HydrophobicContact CB-CG 4.28Å; I79-Y84 HydrophobicContact CD1-CD1 4.34Å; I79-Y84 HydrophobicContact CD1-CD2 4.08Å; I79-Y84 HydrophobicContact CD1-CE1 4.02Å; I79-Y84 HydrophobicContact CD1-CE2 3.74Å; I79-Y84 HydrophobicContact CD1-CG 4.38Å; I79-Y84 HydrophobicContact CG2-CD1 3.35Å; I79-Y84 HydrophobicContact CG2-CD2 4.13Å; I79-Y84 HydrophobicContact CG2-CE1 4Å; I79-Y84 HydrophobicContact CG2-CG 3.43Å; I79-Y84 VanDerWaalsContact CG2-CG 3.43Å; S81-Y84 PolarHBondContact O-N 2.98Å; S81-Y84 WeakPolarHBondContact OG-CB 3.29Å; Y84-K86 VanDerWaalsContact C-N 3.29Å; Y84-K86 PolarHBondContact O-N 3.44Å; Y84-V87 PolarHBondContact O-N 3.36Å; Y84-V88 HydrophobicContact CD1-CG2 4.17Å; Y84-V88 HydrophobicContact CD2-CG2 4.07Å; Y84-V88 HydrophobicContact CE1-CG2 3.77Å; Y84-V88 HydrophobicContact CE2-CG2 3.65Å; Y84-V88 HydrophobicContact CG-CG2 4.3Å; Y84-V88 VanDerWaalsContact CZ-CG2 3.48Å; Y84-V88 WeakPolarHBondContact O-CB 3.31Å; Y84-V88 WeakPolarHBondContact O-CG2 3.29Å; Y84-V88 PolarHBondContact O-N 2.95Å |
| 85 | H | 96.3 | Very high | 96.5 | Very high | 73 Ų | 73 | 113.8 Ų | 113.8 | 34% | 0.338 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.5 | -35.1 | -179.4 | -68.7 | -56.1 | 0 | 0 | 0 | 112.9 | I79 S81 K82 K89 | I79-H85 PolarHBondContact O-CE1 3.29Å; I79-H85 VanDerWaalsContact O-CE1 3.26Å; I79-H85 PolarHBondContact O-NE2 3.02Å; S81-H85 PolarHBondContact O-CD2 3.43Å; S81-H85 PolarHBondContact O-N 2.99Å; K82-H85 PolarHBondContact O-N 3.35Å; H85-K89 WeakPolarHBondContact O-CB 3.35Å; H85-K89 VanDerWaalsContact O-CG 3.27Å; H85-K89 WeakPolarHBondContact O-CG 3.39Å; H85-K89 PolarHBondContact O-N 2.74Å |
| 86 | K | 97.3 | Very high | 96.4 | Very high | 130 Ų | 130 | 107.5 Ų | 107.5 | 57% | 0.565 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.1 | -47.7 | 174.5 | -170.1 | 177 | -176.4 | -176.6 | 0 | 110.7 | K82 K83 Y84 K89 K90 | K82-K86 WeakPolarHBondContact O-CB 3.39Å; K82-K86 PolarHBondContact O-N 3.35Å; K83-K86 PolarHBondContact O-N 2.95Å; Y84-K86 VanDerWaalsContact C-N 3.29Å; Y84-K86 PolarHBondContact O-N 3.44Å; K86-K89 PolarHBondContact O-N 3.34Å; K86-K90 WeakPolarHBondContact O-CB 3.14Å; K86-K90 WeakPolarHBondContact O-CG 3.3Å; K86-K90 PolarHBondContact O-N 3.45Å |
| 87 | V | 97.7 | Very high | 96.4 | Very high | 91 Ų | 91 | 109 Ų | 109 | 55% | 0.552 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.1 | -45.8 | 178.2 | 173.3 | 0 | 0 | 0 | 0 | 111.2 | K83 Y84 K89 K90 G91 | K83-V87 WeakPolarHBondContact O-CG2 3.39Å; K83-V87 PolarHBondContact O-N 2.91Å; Y84-V87 PolarHBondContact O-N 3.36Å; V87-K89 PolarHBondContact O-N 2.94Å; V87-K90 PolarHBondContact O-N 3.35Å; V87-G91 PolarHBondContact O-N 2.8Å |
| 88 | V | 96.8 | Very high | 96.4 | Very high | 39 Ų | 39 | 107.5 Ų | 107.5 | 24% | 0.236 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 177.9 | 171 | 0 | 0 | 0 | 0 | 111.7 | Y84 G91 K92 | Y84-V88 HydrophobicContact CD1-CG2 4.17Å; Y84-V88 HydrophobicContact CD2-CG2 4.07Å; Y84-V88 HydrophobicContact CE1-CG2 3.77Å; Y84-V88 HydrophobicContact CE2-CG2 3.65Å; Y84-V88 HydrophobicContact CG-CG2 4.3Å; Y84-V88 VanDerWaalsContact CZ-CG2 3.48Å; Y84-V88 WeakPolarHBondContact O-CB 3.31Å; Y84-V88 WeakPolarHBondContact O-CG2 3.29Å; Y84-V88 PolarHBondContact O-N 2.95Å; V88-G91 PolarHBondContact O-N 3.29Å; V88-K92 HydrophobicContact CG1-CD 4.32Å; V88-K92 WeakPolarHBondContact O-CG 3.45Å; V88-K92 PolarHBondContact O-N 2.91Å |
| 89 | K | 96.9 | Very high | 96.3 | Very high | 156 Ų | 156 | 104.7 Ų | 104.7 | 68% | 0.678 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.7 | -46.3 | 176.4 | -75.3 | -179.8 | -178 | -171.7 | 0 | 111.5 | H85 K86 V87 G91 K92 A93 | H85-K89 WeakPolarHBondContact O-CB 3.35Å; H85-K89 VanDerWaalsContact O-CG 3.27Å; H85-K89 WeakPolarHBondContact O-CG 3.39Å; H85-K89 PolarHBondContact O-N 2.74Å; K86-K89 PolarHBondContact O-N 3.34Å; V87-K89 PolarHBondContact O-N 2.94Å; K89-G91 VanDerWaalsContact C-N 3.33Å; K89-G91 PolarHBondContact O-N 2.97Å; K89-K92 PolarHBondContact O-N 3.2Å; K89-A93 WeakPolarHBondContact O-CB 3.43Å; K89-A93 PolarHBondContact O-N 3.09Å |
| 90 | K | 97.9 | Very high | 96.1 | Very high | 123 Ų | 123 | 104.8 Ų | 104.8 | 54% | 0.535 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.9 | -43.9 | 175 | -76.8 | -175.8 | 171.9 | -165.2 | 0 | 111.6 | K86 V87 A93 K94 | K86-K90 WeakPolarHBondContact O-CB 3.14Å; K86-K90 WeakPolarHBondContact O-CG 3.3Å; K86-K90 PolarHBondContact O-N 3.45Å; V87-K90 PolarHBondContact O-N 3.35Å; K90-A93 PolarHBondContact O-N 3.06Å; K90-K94 WeakPolarHBondContact O-CG 3.39Å; K90-K94 PolarHBondContact O-N 2.94Å |
| 91 | G | 97.4 | Very high | 96.1 | Very high | 29 Ų | 29 | 102.1 Ų | 102.1 | 30% | 0.299 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V87 V88 K89 K94 K95 | V87-G91 PolarHBondContact O-N 2.8Å; V88-G91 PolarHBondContact O-N 3.29Å; K89-G91 VanDerWaalsContact C-N 3.33Å; K89-G91 PolarHBondContact O-N 2.97Å; G91-K94 PolarHBondContact O-N 3.39Å; G91-K95 WeakPolarHBondContact O-CG 3.14Å; G91-K95 PolarHBondContact O-N 3.5Å |
| 92 | K | 96.3 | Very high | 96 | Very high | 145 Ų | 145 | 105 Ų | 105 | 63% | 0.63 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.5 | -44.1 | 174.6 | -71.5 | -179.6 | -179.8 | -170.2 | 0 | 112.1 | V88 K89 K95 A96 | V88-K92 HydrophobicContact CG1-CD 4.32Å; V88-K92 WeakPolarHBondContact O-CG 3.45Å; V88-K92 PolarHBondContact O-N 2.91Å; K89-K92 PolarHBondContact O-N 3.2Å; K92-K95 PolarHBondContact O-N 3.06Å; K92-A96 PolarHBondContact O-N 2.96Å |
| 93 | A | 95.2 | Very high | 95.8 | Very high | 54 Ų | 54 | 99.6 Ų | 99.6 | 45% | 0.446 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | K89 K90 K95 A96 L97 | K89-A93 WeakPolarHBondContact O-CB 3.43Å; K89-A93 PolarHBondContact O-N 3.09Å; K90-A93 PolarHBondContact O-N 3.06Å; A93-K95 VanDerWaalsContact C-N 3.33Å; A93-K95 PolarHBondContact O-N 3.47Å; A93-A96 PolarHBondContact O-N 2.95Å; A93-L97 WeakPolarHBondContact O-CG 3.4Å; A93-L97 PolarHBondContact O-N 3.33Å |
| 94 | K | 97 | Very high | 95.5 | Very high | 140 Ų | 140 | 98.9 Ų | 98.9 | 61% | 0.609 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.2 | -39.7 | 175.4 | -73.5 | -176.8 | 178.6 | -168.7 | 0 | 112.3 | K90 G91 K98 | K90-K94 WeakPolarHBondContact O-CG 3.39Å; K90-K94 PolarHBondContact O-N 2.94Å; G91-K94 PolarHBondContact O-N 3.39Å; K94-K98 WeakPolarHBondContact O-CG 3.38Å; K94-K98 PolarHBondContact O-N 3.29Å |
| 95 | K | 96.7 | Very high | 95.4 | Very high | 140 Ų | 140 | 104 Ų | 104 | 61% | 0.609 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.3 | -46.9 | 176.1 | -72.7 | 179.1 | -177.6 | -168.7 | 0 | 111.7 | G91 K92 A93 L97 K98 E99 | G91-K95 WeakPolarHBondContact O-CG 3.14Å; G91-K95 PolarHBondContact O-N 3.5Å; K92-K95 PolarHBondContact O-N 3.06Å; A93-K95 VanDerWaalsContact C-N 3.33Å; A93-K95 PolarHBondContact O-N 3.47Å; K95-L97 VanDerWaalsContact C-N 3.29Å; K95-L97 PolarHBondContact O-N 3.19Å; K95-K98 PolarHBondContact O-N 3.37Å; K95-K98 VanDerWaalsContact O-N 3.11Å; K95-E99 WeakPolarHBondContact O-CB 3.5Å; K95-E99 WeakPolarHBondContact O-CG 3.39Å; K95-E99 PolarHBondContact O-N 3.42Å |
| 96 | A | 93.9 | Very high | 95.4 | Very high | 53 Ų | 53 | 106.8 Ų | 106.8 | 44% | 0.438 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59 | -40.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K92 A93 E99 F100 | K92-A96 PolarHBondContact O-N 2.96Å; A93-A96 PolarHBondContact O-N 2.95Å; A96-E99 PolarHBondContact O-N 2.95Å; A96-F100 VanDerWaalsContact O-CB 3.27Å; A96-F100 WeakPolarHBondContact O-CB 3.38Å; A96-F100 PolarHBondContact O-N 2.82Å |
| 97 | L | 94.2 | Very high | 95.2 | Very high | 106 Ų | 106 | 104.2 Ų | 104.2 | 56% | 0.555 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.5 | -44.2 | 174.1 | -71.6 | 172.5 | 0 | 0 | 0 | 112.2 | A93 K95 F100 E101 | A93-L97 WeakPolarHBondContact O-CG 3.4Å; A93-L97 PolarHBondContact O-N 3.33Å; K95-L97 VanDerWaalsContact C-N 3.29Å; K95-L97 PolarHBondContact O-N 3.19Å; L97-F100 WeakPolarHBondContact O-CB 3.27Å; L97-F100 PolarHBondContact O-N 3.04Å; L97-E101 WeakPolarHBondContact O-CG 3.36Å; L97-E101 PolarHBondContact O-N 2.95Å |
| 98 | K | 96 | Very high | 95 | Very high | 133 Ų | 133 | 103.8 Ų | 103.8 | 58% | 0.578 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.1 | -44 | 176.7 | -72.5 | 178.4 | 179.2 | -168.2 | 0 | 112.1 | K94 K95 F100 E101 Q102 | K94-K98 WeakPolarHBondContact O-CG 3.38Å; K94-K98 PolarHBondContact O-N 3.29Å; K95-K98 PolarHBondContact O-N 3.37Å; K95-K98 VanDerWaalsContact O-N 3.11Å; K98-F100 VanDerWaalsContact C-N 3.31Å; K98-F100 PolarHBondContact O-N 2.88Å; K98-E101 PolarHBondContact O-N 3.08Å; K98-Q102 WeakPolarHBondContact O-CB 3.49Å; K98-Q102 VanDerWaalsContact O-CG 3.26Å; K98-Q102 WeakPolarHBondContact O-CG 3.06Å; K98-Q102 PolarHBondContact O-N 2.88Å |
| 99 | E | 93.8 | Very high | 94.8 | Very high | 110 Ų | 110 | 104.6 Ų | 104.6 | 51% | 0.514 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61 | -42.6 | 175.9 | -72.2 | 163.8 | -162.1 | 0 | 0 | 110.5 | K95 A96 Q102 L103 | K95-E99 WeakPolarHBondContact O-CB 3.5Å; K95-E99 WeakPolarHBondContact O-CG 3.39Å; K95-E99 PolarHBondContact O-N 3.42Å; A96-E99 PolarHBondContact O-N 2.95Å; E99-Q102 PolarHBondContact O-N 2.83Å; E99-L103 WeakPolarHBondContact O-CB 3.45Å; E99-L103 WeakPolarHBondContact O-CD1 3.48Å; E99-L103 WeakPolarHBondContact O-CG 3.21Å; E99-L103 PolarHBondContact O-N 3Å |
| 100 | F | 93.1 | Very high | 94.6 | Very high | 51 Ų | 51 | 98.4 Ų | 98.4 | 22% | 0.224 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -63.6 | -44.4 | 175.5 | -176.9 | -101.7 | 0 | 0 | 0 | 113 | A96 L97 K98 Q102 L103 R104 A111 L115 | A96-F100 VanDerWaalsContact O-CB 3.27Å; A96-F100 WeakPolarHBondContact O-CB 3.38Å; A96-F100 PolarHBondContact O-N 2.82Å; L97-F100 WeakPolarHBondContact O-CB 3.27Å; L97-F100 PolarHBondContact O-N 3.04Å; K98-F100 VanDerWaalsContact C-N 3.31Å; K98-F100 PolarHBondContact O-N 2.88Å; F100-Q102 VanDerWaalsContact C-N 3.32Å; F100-Q102 PolarHBondContact O-N 3.31Å; F100-L103 PolarHBondContact O-N 3.35Å; F100-R104 WeakPolarHBondContact O-CB 2.93Å; F100-R104 PolarHBondContact O-N 3.31Å; F100-A111 HydrophobicContact CE2-CB 3.9Å; F100-A111 WeakPolarHBondContact CE2-O 3.5Å; F100-A111 HydrophobicContact CZ-CB 4.25Å; F100-L115 HydrophobicContact CE2-CD1 4.12Å; F100-L115 HydrophobicContact CE2-CD2 3.85Å; F100-L115 HydrophobicContact CE2-CG 3.54Å; F100-L115 HydrophobicContact CZ-CD1 3.63Å; F100-L115 HydrophobicContact CZ-CD2 3.82Å; F100-L115 HydrophobicContact CZ-CG 3.57Å |
| 101 | E | 94.1 | Very high | 94.3 | Very high | 99 Ų | 99 | 92.7 Ų | 92.7 | 46% | 0.463 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63 | -39 | 175.8 | -75.7 | 174.1 | -165.3 | 0 | 0 | 112.3 | L97 K98 R104 K105 | L97-E101 WeakPolarHBondContact O-CG 3.36Å; L97-E101 PolarHBondContact O-N 2.95Å; K98-E101 PolarHBondContact O-N 3.08Å; E101-R104 PolarHBondContact O-N 2.86Å; E101-K105 WeakPolarHBondContact O-CG 3.25Å; E101-K105 PolarHBondContact O-N 3.48Å |
| 102 | Q | 94.8 | Very high | 94 | Very high | 124 Ų | 124 | 96.6 Ų | 96.6 | 58% | 0.579 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.3 | -46.4 | 174.7 | -72.4 | 171.9 | 5.7 | 0 | 0 | 111 | K98 E99 F100 R104 K105 V106 | K98-Q102 WeakPolarHBondContact O-CB 3.49Å; K98-Q102 VanDerWaalsContact O-CG 3.26Å; K98-Q102 WeakPolarHBondContact O-CG 3.06Å; K98-Q102 PolarHBondContact O-N 2.88Å; E99-Q102 PolarHBondContact O-N 2.83Å; F100-Q102 VanDerWaalsContact C-N 3.32Å; F100-Q102 PolarHBondContact O-N 3.31Å; Q102-R104 VanDerWaalsContact C-N 3.34Å; Q102-R104 PolarHBondContact O-N 3.05Å; Q102-K105 PolarHBondContact O-N 2.77Å; Q102-K105 VanDerWaalsContact O-N 3.17Å; Q102-V106 WeakPolarHBondContact O-CG2 3.32Å; Q102-V106 PolarHBondContact O-N 3.47Å |
| 103 | L | 92.1 | Very high | 93.9 | Very high | 69 Ų | 69 | 95 Ų | 95 | 36% | 0.361 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -57.8 | -45.9 | 174.7 | -82.2 | 158.2 | 0 | 0 | 0 | 111.3 | E99 F100 K105 V106 N107 A111 | E99-L103 WeakPolarHBondContact O-CB 3.45Å; E99-L103 WeakPolarHBondContact O-CD1 3.48Å; E99-L103 WeakPolarHBondContact O-CG 3.21Å; E99-L103 PolarHBondContact O-N 3Å; F100-L103 PolarHBondContact O-N 3.35Å; L103-K105 PolarHBondContact O-N 3.43Å; L103-V106 PolarHBondContact O-N 2.79Å; L103-N107 CarbonylContact O-C 3.6Å; L103-N107 WeakPolarHBondContact O-CA 3.28Å; L103-N107 PolarHBondContact O-N 3.34Å; L103-A111 HydrophobicContact CB-CB 4.4Å |
| 104 | R | 92 | Very high | 93.7 | Very high | 153 Ų | 153 | 95.9 Ų | 95.9 | 58% | 0.577 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -57.9 | -36.2 | 177.6 | -167.2 | -177.7 | 78.1 | 175.5 | 4.1 | 112.8 | F100 E101 Q102 A111 | F100-R104 WeakPolarHBondContact O-CB 2.93Å; F100-R104 PolarHBondContact O-N 3.31Å; E101-R104 PolarHBondContact O-N 2.86Å; Q102-R104 VanDerWaalsContact C-N 3.34Å; Q102-R104 PolarHBondContact O-N 3.05Å; R104-A111 HydrophobicContact CB-CB 4.21Å |
| 105 | K | 94.1 | Very high | 93.4 | Very high | 166 Ų | 166 | 92.6 Ų | 92.6 | 72% | 0.722 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -76 | -39.9 | 179 | -71 | 173.8 | -176 | -179.8 | 0 | 112.7 | E101 Q102 L103 | E101-K105 WeakPolarHBondContact O-CG 3.25Å; E101-K105 PolarHBondContact O-N 3.48Å; Q102-K105 PolarHBondContact O-N 2.77Å; Q102-K105 VanDerWaalsContact O-N 3.17Å; L103-K105 PolarHBondContact O-N 3.43Å |
| 106 | V | 95.6 | Very high | 93.3 | Very high | 131 Ų | 131 | 90.4 Ų | 90.4 | 79% | 0.794 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -81.9 | -45.1 | -176.5 | 176.4 | 0 | 0 | 0 | 0 | 111.3 | Q102 L103 | Q102-V106 WeakPolarHBondContact O-CG2 3.32Å; Q102-V106 PolarHBondContact O-N 3.47Å; L103-V106 PolarHBondContact O-N 2.79Å |
| 107 | N | 93.8 | Very high | 93.3 | Very high | 76 Ų | 76 | 92.8 Ų | 92.8 | 41% | 0.406 | 46% | 0.462 | S | S | . | . | trans | -148 | 99.6 | -178.8 | -173 | -15 | 0 | 0 | 0 | 111.1 | L103 A109 A110 A111 | L103-N107 CarbonylContact O-C 3.6Å; L103-N107 WeakPolarHBondContact O-CA 3.28Å; L103-N107 PolarHBondContact O-N 3.34Å; N107-A109 VanDerWaalsContact C-N 3.28Å; N107-A109 PolarHBondContact O-N 2.74Å; N107-A109 WeakPolarHBondContact OD1-CB 3.45Å; N107-A109 PolarHBondContact OD1-N 2.69Å; N107-A109 VanDerWaalsContact OD1-N 3.09Å; N107-A110 HydrophobicContact CB-CB 4.07Å; N107-A110 PolarHBondContact O-N 3.3Å; N107-A110 PolarHBondContact OD1-N 3.44Å; N107-A111 PolarHBondContact O-N 2.92Å | ||
| 108 | P | 93.1 | Very high | 93.2 | Very high | 83 Ų | 83 | 91.9 Ų | 91.9 | 54% | 0.539 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.8 | -29.9 | -178.9 | 26.2 | -33.9 | 0 | 0 | 0 | 113 | A111 L112 | P108-A111 PolarHBondContact O-N 2.75Å; P108-L112 PolarHBondContact O-N 3.15Å; P108-L112 VanDerWaalsContact O-N 3.17Å |
| 109 | A | 93.6 | Very high | 93 | Very high | 56 Ų | 56 | 90.4 Ų | 90.4 | 46% | 0.463 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -67.5 | -45.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | N107 A111 L112 E113 | N107-A109 VanDerWaalsContact C-N 3.28Å; N107-A109 PolarHBondContact O-N 2.74Å; N107-A109 WeakPolarHBondContact OD1-CB 3.45Å; N107-A109 PolarHBondContact OD1-N 2.69Å; N107-A109 VanDerWaalsContact OD1-N 3.09Å; A109-A111 VanDerWaalsContact C-N 3.25Å; A109-A111 PolarHBondContact O-N 3.4Å; A109-L112 WeakPolarHBondContact O-CB 3.33Å; A109-L112 PolarHBondContact O-N 2.99Å; A109-L112 VanDerWaalsContact O-N 3.16Å; A109-E113 PolarHBondContact O-N 3.41Å; A109-E113 VanDerWaalsContact O-N 3.13Å |
| 110 | A | 92.1 | Very high | 93 | Very high | 26 Ų | 26 | 90 Ų | 90 | 22% | 0.215 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -64 | -31.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | N107 E113 E114 | N107-A110 HydrophobicContact CB-CB 4.07Å; N107-A110 PolarHBondContact O-N 3.3Å; N107-A110 PolarHBondContact OD1-N 3.44Å; A110-E113 PolarHBondContact O-N 3.36Å; A110-E114 PolarHBondContact O-N 2.82Å; A110-E114 VanDerWaalsContact O-N 3.08Å |
| 111 | A | 91.7 | Very high | 93 | Very high | 3 Ų | 3 | 89.9 Ų | 89.9 | 3% | 0.025 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -67 | -40.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | F100 L103 R104 N107 P108 A109 E113 E114 L115 | F100-A111 HydrophobicContact CE2-CB 3.9Å; F100-A111 WeakPolarHBondContact CE2-O 3.5Å; F100-A111 HydrophobicContact CZ-CB 4.25Å; L103-A111 HydrophobicContact CB-CB 4.4Å; R104-A111 HydrophobicContact CB-CB 4.21Å; N107-A111 PolarHBondContact O-N 2.92Å; P108-A111 PolarHBondContact O-N 2.75Å; A109-A111 VanDerWaalsContact C-N 3.25Å; A109-A111 PolarHBondContact O-N 3.4Å; A111-E113 VanDerWaalsContact C-N 3.34Å; A111-E114 PolarHBondContact O-N 3.43Å; A111-L115 PolarHBondContact O-N 2.89Å |
| 112 | L | 91.2 | Very high | 92.8 | Very high | 110 Ų | 110 | 90.4 Ų | 90.4 | 58% | 0.576 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -61.5 | -43.4 | 174.3 | -68 | 175.4 | 0 | 0 | 0 | 111.3 | P108 A109 E114 L115 E116 | P108-L112 PolarHBondContact O-N 3.15Å; P108-L112 VanDerWaalsContact O-N 3.17Å; A109-L112 WeakPolarHBondContact O-CB 3.33Å; A109-L112 PolarHBondContact O-N 2.99Å; A109-L112 VanDerWaalsContact O-N 3.16Å; L112-E114 VanDerWaalsContact C-N 3.35Å; L112-E114 PolarHBondContact O-N 2.78Å; L112-L115 WeakPolarHBondContact O-CB 3.45Å; L112-L115 PolarHBondContact O-N 2.73Å; L112-E116 WeakPolarHBondContact O-CG 3.26Å; L112-E116 PolarHBondContact O-N 3.49Å |
| 113 | E | 93.8 | Very high | 92.4 | Very high | 112 Ų | 112 | 90 Ų | 90 | 52% | 0.523 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.4 | -41.2 | 175.7 | -69.3 | -178.5 | -172.9 | 0 | 0 | 112.8 | A109 A110 A111 E116 K117 | A109-E113 PolarHBondContact O-N 3.41Å; A109-E113 VanDerWaalsContact O-N 3.13Å; A110-E113 PolarHBondContact O-N 3.36Å; A111-E113 VanDerWaalsContact C-N 3.34Å; E113-E116 PolarHBondContact O-N 3.04Å; E113-K117 VanDerWaalsContact O-CG 3.27Å; E113-K117 WeakPolarHBondContact O-CG 3.12Å; E113-K117 PolarHBondContact O-N 3.28Å |
| 114 | E | 91.5 | Very high | 92.3 | Very high | 72 Ų | 72 | 92 Ų | 92 | 34% | 0.336 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.1 | -37.6 | 175.8 | -77.2 | -56.1 | 146.2 | 0 | 0 | 112.5 | A110 A111 L112 K117 I118 | A110-E114 PolarHBondContact O-N 2.82Å; A110-E114 VanDerWaalsContact O-N 3.08Å; A111-E114 PolarHBondContact O-N 3.43Å; L112-E114 VanDerWaalsContact C-N 3.35Å; L112-E114 PolarHBondContact O-N 2.78Å; E114-K117 PolarHBondContact O-N 3.2Å; E114-K117 IonicContact OE1-NZ 2.76Å; E114-K117 PolarHBondContact OE1-NZ 2.82Å; E114-I118 VanDerWaalsContact O-CG1 3.26Å; E114-I118 WeakPolarHBondContact O-CG1 3.5Å; E114-I118 PolarHBondContact O-N 3.02Å |
| 115 | L | 91.3 | Very high | 92 | Very high | 71 Ų | 71 | 91 Ų | 91 | 37% | 0.372 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.6 | -47.6 | 171.1 | -77.3 | 179.2 | 0 | 0 | 0 | 111.4 | F100 A111 L112 K117 I118 E119 | F100-L115 HydrophobicContact CE2-CD1 4.12Å; F100-L115 HydrophobicContact CE2-CD2 3.85Å; F100-L115 HydrophobicContact CE2-CG 3.54Å; F100-L115 HydrophobicContact CZ-CD1 3.63Å; F100-L115 HydrophobicContact CZ-CD2 3.82Å; F100-L115 HydrophobicContact CZ-CG 3.57Å; A111-L115 PolarHBondContact O-N 2.89Å; L112-L115 WeakPolarHBondContact O-CB 3.45Å; L112-L115 PolarHBondContact O-N 2.73Å; L115-K117 VanDerWaalsContact C-N 3.31Å; L115-K117 PolarHBondContact O-N 3.04Å; L115-I118 WeakPolarHBondContact O-CB 3.43Å; L115-I118 PolarHBondContact O-N 2.99Å; L115-I118 VanDerWaalsContact O-N 3.16Å; L115-E119 WeakPolarHBondContact O-CG 3.44Å; L115-E119 PolarHBondContact O-N 3.46Å |
| 116 | E | 93.4 | Very high | 91.3 | Very high | 95 Ų | 95 | 91.3 Ų | 91.3 | 44% | 0.444 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.7 | -39.6 | 177.2 | -73.6 | -174.3 | -162.8 | 0 | 0 | 112.1 | L112 E113 I118 E119 K120 | L112-E116 WeakPolarHBondContact O-CG 3.26Å; L112-E116 PolarHBondContact O-N 3.49Å; E113-E116 PolarHBondContact O-N 3.04Å; E116-I118 VanDerWaalsContact C-N 3.34Å; E116-E119 PolarHBondContact O-N 3.29Å; E116-K120 VanDerWaalsContact O-CB 3.26Å; E116-K120 WeakPolarHBondContact O-CB 3.14Å; E116-K120 WeakPolarHBondContact O-CD 3.49Å; E116-K120 WeakPolarHBondContact O-CG 3.43Å; E116-K120 PolarHBondContact O-N 3.27Å; E116-K120 IonicContact OE2-NZ 2.83Å; E116-K120 PolarHBondContact OE2-NZ 3.49Å |
| 117 | K | 94.9 | Very high | 90.6 | Very high | 102 Ų | 102 | 92.9 Ų | 92.9 | 44% | 0.443 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62 | -43.1 | 175.3 | -73.3 | 171.4 | -158.9 | 169 | 0 | 111.1 | E113 E114 L115 E119 K120 A121 | E113-K117 VanDerWaalsContact O-CG 3.27Å; E113-K117 WeakPolarHBondContact O-CG 3.12Å; E113-K117 PolarHBondContact O-N 3.28Å; E114-K117 PolarHBondContact O-N 3.2Å; E114-K117 IonicContact OE1-NZ 2.76Å; E114-K117 PolarHBondContact OE1-NZ 2.82Å; L115-K117 VanDerWaalsContact C-N 3.31Å; L115-K117 PolarHBondContact O-N 3.04Å; K117-E119 VanDerWaalsContact C-N 3.34Å; K117-K120 PolarHBondContact O-N 2.9Å; K117-A121 VanDerWaalsContact O-CB 3.29Å; K117-A121 WeakPolarHBondContact O-CB 3.35Å; K117-A121 PolarHBondContact O-N 2.97Å |
| 118 | I | 92 | Very high | 89.8 | Confident | 87 Ų | 87 | 93 Ų | 93 | 45% | 0.446 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 176.3 | -67.8 | 164.5 | 0 | 0 | 0 | 110.6 | E114 L115 E116 A121 R122 | E114-I118 VanDerWaalsContact O-CG1 3.26Å; E114-I118 WeakPolarHBondContact O-CG1 3.5Å; E114-I118 PolarHBondContact O-N 3.02Å; L115-I118 WeakPolarHBondContact O-CB 3.43Å; L115-I118 PolarHBondContact O-N 2.99Å; L115-I118 VanDerWaalsContact O-N 3.16Å; E116-I118 VanDerWaalsContact C-N 3.34Å; I118-A121 PolarHBondContact O-N 3.09Å; I118-R122 WeakPolarHBondContact O-CB 3.49Å; I118-R122 PolarHBondContact O-N 3.34Å |
| 119 | E | 91.8 | Very high | 88.6 | Confident | 102 Ų | 102 | 94.1 Ų | 94.1 | 48% | 0.477 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -69.5 | -43.7 | 177.5 | -72.1 | -174.4 | 173.5 | 0 | 0 | 112.7 | L115 E116 K117 A121 R122 M123 | L115-E119 WeakPolarHBondContact O-CG 3.44Å; L115-E119 PolarHBondContact O-N 3.46Å; E116-E119 PolarHBondContact O-N 3.29Å; K117-E119 VanDerWaalsContact C-N 3.34Å; E119-A121 VanDerWaalsContact C-N 3.31Å; E119-A121 PolarHBondContact O-N 2.81Å; E119-R122 CarbonylContact O-C 3.22Å; E119-R122 WeakPolarHBondContact O-CB 3.33Å; E119-R122 PolarHBondContact O-N 3.4Å; E119-R122 VanDerWaalsContact O-N 3.15Å; E119-M123 WeakPolarHBondContact O-CB 3.43Å; E119-M123 WeakPolarHBondContact O-CG 3.38Å; E119-M123 PolarHBondContact O-N 3.23Å |
| 120 | K | 93.4 | Very high | 87.4 | Confident | 101 Ų | 101 | 100.5 Ų | 100.5 | 44% | 0.439 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -57.8 | -44.2 | 172.2 | -74 | 164.4 | -176.8 | 157.2 | 0 | 110.4 | E116 K117 M123 M124 | E116-K120 VanDerWaalsContact O-CB 3.26Å; E116-K120 WeakPolarHBondContact O-CB 3.14Å; E116-K120 WeakPolarHBondContact O-CD 3.49Å; E116-K120 WeakPolarHBondContact O-CG 3.43Å; E116-K120 PolarHBondContact O-N 3.27Å; E116-K120 IonicContact OE2-NZ 2.83Å; E116-K120 PolarHBondContact OE2-NZ 3.49Å; K117-K120 PolarHBondContact O-N 2.9Å; K120-M123 HydrophobicContact CG-CE 4.07Å; K120-M123 PolarHBondContact O-N 3.22Å; K120-M124 WeakPolarHBondContact O-CB 3.47Å; K120-M124 VanDerWaalsContact O-CG 3.27Å; K120-M124 WeakPolarHBondContact O-CG 3.27Å; K120-M124 PolarHBondContact O-N 3.43Å |
| 121 | A | 92.2 | Very high | 86.3 | Confident | 49 Ų | 49 | 104.2 Ų | 104.2 | 41% | 0.405 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.6 | -42.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | K117 I118 E119 M124 E125 | K117-A121 VanDerWaalsContact O-CB 3.29Å; K117-A121 WeakPolarHBondContact O-CB 3.35Å; K117-A121 PolarHBondContact O-N 2.97Å; I118-A121 PolarHBondContact O-N 3.09Å; E119-A121 VanDerWaalsContact C-N 3.31Å; E119-A121 PolarHBondContact O-N 2.81Å; A121-M124 PolarHBondContact O-N 3.23Å; A121-E125 VanDerWaalsContact O-CB 3.31Å; A121-E125 WeakPolarHBondContact O-CB 3.48Å; A121-E125 PolarHBondContact O-N 2.68Å |
| 122 | R | 89.9 | Confident | 85.1 | Confident | 111 Ų | 111 | 108.2 Ų | 108.2 | 42% | 0.419 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.3 | -40.7 | 175.5 | -170.6 | -170.1 | -61.7 | 154.4 | -3.1 | 112.1 | I118 E119 R126 | I118-R122 WeakPolarHBondContact O-CB 3.49Å; I118-R122 PolarHBondContact O-N 3.34Å; E119-R122 CarbonylContact O-C 3.22Å; E119-R122 WeakPolarHBondContact O-CB 3.33Å; E119-R122 PolarHBondContact O-N 3.4Å; E119-R122 VanDerWaalsContact O-N 3.15Å; R122-R126 WeakPolarHBondContact O-CB 3.46Å; R122-R126 VanDerWaalsContact O-CG 3.29Å; R122-R126 WeakPolarHBondContact O-CG 3.32Å; R122-R126 PolarHBondContact O-N 3.08Å |
| 123 | M | 87.8 | Confident | 84 | Confident | 115 Ų | 115 | 105.2 Ų | 105.2 | 57% | 0.567 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.3 | -46.2 | 175 | -75.5 | -169.8 | -71.4 | 0 | 0 | 110.7 | E119 K120 R126 M127 | E119-M123 WeakPolarHBondContact O-CB 3.43Å; E119-M123 WeakPolarHBondContact O-CG 3.38Å; E119-M123 PolarHBondContact O-N 3.23Å; K120-M123 HydrophobicContact CG-CE 4.07Å; K120-M123 PolarHBondContact O-N 3.22Å; M123-R126 PolarHBondContact O-N 2.9Å; M123-M127 WeakPolarHBondContact O-CB 3.5Å; M123-M127 PolarHBondContact O-N 2.9Å |
| 124 | M | 88.9 | Confident | 83.1 | Confident | 112 Ų | 112 | 102 Ų | 102 | 55% | 0.552 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.1 | -41.3 | 174.9 | -73.7 | -173.4 | -67.2 | 0 | 0 | 111.9 | K120 A121 M127 S128 | K120-M124 WeakPolarHBondContact O-CB 3.47Å; K120-M124 VanDerWaalsContact O-CG 3.27Å; K120-M124 WeakPolarHBondContact O-CG 3.27Å; K120-M124 PolarHBondContact O-N 3.43Å; A121-M124 PolarHBondContact O-N 3.23Å; M124-M127 PolarHBondContact O-N 2.86Å; M124-S128 WeakPolarHBondContact O-CA 3.01Å; M124-S128 WeakPolarHBondContact O-CB 3.45Å; M124-S128 PolarHBondContact O-N 3.16Å; M124-S128 PolarHBondContact O-OG 3.45Å |
| 125 | E | 85.2 | Confident | 82.8 | Confident | 132 Ų | 132 | 100.1 Ų | 100.1 | 62% | 0.617 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.5 | -48.3 | 173.7 | -175.1 | -179.8 | -174.5 | 0 | 0 | 109.8 | A121 S128 L129 | A121-E125 VanDerWaalsContact O-CB 3.31Å; A121-E125 WeakPolarHBondContact O-CB 3.48Å; A121-E125 PolarHBondContact O-N 2.68Å; E125-S128 CarbonylContact O-C 3.45Å; E125-S128 PolarHBondContact O-N 3.23Å; E125-S128 PolarHBondContact O-OG 3.48Å; E125-L129 WeakPolarHBondContact O-CA 3.32Å; E125-L129 WeakPolarHBondContact O-CB 3.21Å; E125-L129 PolarHBondContact O-N 2.97Å |
| 126 | R | 81.3 | Confident | 82.7 | Confident | 172 Ų | 172 | 106.1 Ų | 106.1 | 65% | 0.649 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.1 | -40.3 | 178.4 | -76.6 | -179.1 | 167.7 | 143.3 | -0.2 | 113.8 | R122 M123 L129 | R122-R126 WeakPolarHBondContact O-CB 3.46Å; R122-R126 VanDerWaalsContact O-CG 3.29Å; R122-R126 WeakPolarHBondContact O-CG 3.32Å; R122-R126 PolarHBondContact O-N 3.08Å; M123-R126 PolarHBondContact O-N 2.9Å; R126-L129 WeakPolarHBondContact O-CB 3.37Å; R126-L129 PolarHBondContact O-N 3.48Å |
| 127 | M | 79.9 | Confident | 82.5 | Confident | 163 Ų | 163 | 107.8 Ų | 107.8 | 80% | 0.803 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -70.4 | -39.5 | 178.5 | -172.3 | -178.9 | 81 | 0 | 0 | 110.9 | M123 M124 L129 | M123-M127 WeakPolarHBondContact O-CB 3.5Å; M123-M127 PolarHBondContact O-N 2.9Å; M124-M127 PolarHBondContact O-N 2.86Å; M127-L129 VanDerWaalsContact C-N 3.33Å |
| 128 | S | 76.1 | Confident | 82.2 | Confident | 78 Ų | 78 | 103.1 Ų | 103.1 | 55% | 0.545 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -79.9 | -13.5 | 174 | 69.3 | 0 | 0 | 0 | 0 | 113.2 | M124 E125 K130 | M124-S128 WeakPolarHBondContact O-CA 3.01Å; M124-S128 WeakPolarHBondContact O-CB 3.45Å; M124-S128 PolarHBondContact O-N 3.16Å; M124-S128 PolarHBondContact O-OG 3.45Å; E125-S128 CarbonylContact O-C 3.45Å; E125-S128 PolarHBondContact O-N 3.23Å; E125-S128 PolarHBondContact O-OG 3.48Å; S128-K130 PolarHBondContact O-N 3.35Å |
| 129 | L | 69.5 | Low | 82.1 | Confident | 107 Ų | 107 | 104.3 Ų | 104.3 | 56% | 0.56 | 50% | 0.501 | S | S | * | . | trans | -68.6 | 84 | 172.6 | -166.1 | 68.2 | 0 | 0 | 0 | 108 | E125 R126 M127 H131 | E125-L129 WeakPolarHBondContact O-CA 3.32Å; E125-L129 WeakPolarHBondContact O-CB 3.21Å; E125-L129 PolarHBondContact O-N 2.97Å; R126-L129 WeakPolarHBondContact O-CB 3.37Å; R126-L129 PolarHBondContact O-N 3.48Å; M127-L129 VanDerWaalsContact C-N 3.33Å; L129-H131 HydrophobicContact CG-CB 4.38Å; L129-H131 PolarHBondContact O-N 3.29Å | ||
| 130 | K | 67.4 | Low | 82.1 | Confident | 190 Ų | 190 | 102.4 Ų | 102.4 | 83% | 0.826 | 50% | 0.499 | S | S | * | . | trans | -68.1 | 47 | 174.6 | -64.8 | -178.3 | -179.4 | -177.6 | 0 | 111.9 | S128 Q132 | S128-K130 PolarHBondContact O-N 3.35Å; K130-Q132 PolarHBondContact O-N 3.34Å; K130-Q132 VanDerWaalsContact O-N 3.17Å | ||
| 131 | H | 68.4 | Low | 82.1 | Confident | 105 Ų | 105 | 100.2 Ų | 100.2 | 49% | 0.486 | 49% | 0.49 | S | S | . | . | trans | -83.3 | 37.6 | 168.4 | -158 | 96.8 | 0 | 0 | 0 | 110.8 | L129 N133 S134 G135 | L129-H131 HydrophobicContact CG-CB 4.38Å; L129-H131 PolarHBondContact O-N 3.29Å; H131-N133 PolarHBondContact O-N 2.91Å; H131-S134 VanDerWaalsContact CE1-C 3.48Å; H131-S134 WeakPolarHBondContact CE1-CB 3.29Å; H131-S134 PolarHBondContact CE1-OG 3.19Å; H131-S134 WeakPolarHBondContact ND1-CB 3.47Å; H131-S134 PolarHBondContact ND1-OG 3.27Å; H131-S134 WeakPolarHBondContact NE2-CB 3.41Å; H131-G135 PolarHBondContact NE2-N 3.26Å | ||
| 132 | Q | 66.9 | Low | 82 | Confident | 86 Ų | 86 | 99.9 Ų | 99.9 | 40% | 0.402 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -4.8 | 179.9 | -65.5 | -60.8 | -18.1 | 0 | 0 | 113.1 | K130 Q158 N162 | K130-Q132 PolarHBondContact O-N 3.34Å; K130-Q132 VanDerWaalsContact O-N 3.17Å; Q132-Q158 PolarHBondContact O-NE2 2.86Å; Q132-N162 PolarHBondContact OE1-ND2 3.43Å; Q132-N162 PolarHBondContact OE1-OD1 3.42Å |
| 133 | N | 69.7 | Low | 82.1 | Confident | 48 Ų | 48 | 100.1 Ų | 100.1 | 26% | 0.257 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -160 | 29.1 | -178.5 | -138.4 | 34.1 | 0 | 0 | 0 | 113.9 | H131 A138 | H131-N133 PolarHBondContact O-N 2.91Å; N133-A138 VanDerWaalsContact C-CB 3.45Å; N133-A138 HydrophobicContact CB-CB 4.05Å; N133-A138 VanDerWaalsContact CG-CB 3.4Å; N133-A138 VanDerWaalsContact O-CB 3.25Å; N133-A138 WeakPolarHBondContact O-CB 3.49Å; N133-A138 WeakPolarHBondContact OD1-CB 3.35Å |
| 134 | S | 74.6 | Confident | 82.3 | Confident | 43 Ų | 43 | 98.1 Ų | 98.1 | 30% | 0.301 | 49% | 0.485 | S | S | . | . | trans | -104.3 | 4.9 | -175.8 | 169.2 | 0 | 0 | 0 | 0 | 114.2 | H131 K139 | H131-S134 VanDerWaalsContact CE1-C 3.48Å; H131-S134 WeakPolarHBondContact CE1-CB 3.29Å; H131-S134 PolarHBondContact CE1-OG 3.19Å; H131-S134 WeakPolarHBondContact ND1-CB 3.47Å; H131-S134 PolarHBondContact ND1-OG 3.27Å; H131-S134 WeakPolarHBondContact NE2-CB 3.41Å; S134-K139 VanDerWaalsContact O-CE 3.26Å; S134-K139 WeakPolarHBondContact O-CE 3.18Å; S134-K139 PolarHBondContact O-NZ 3.32Å; S134-K139 PolarHBondContact OG-NZ 2.77Å | ||
| 135 | G | 84.8 | Confident | 82.4 | Confident | 34 Ų | 34 | 93.2 Ų | 93.2 | 35% | 0.351 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -63.8 | 159.4 | 163.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | H131 W137 A138 K139 | H131-G135 PolarHBondContact NE2-N 3.26Å; G135-W137 VanDerWaalsContact C-N 3.3Å; G135-W137 PolarHBondContact O-N 3.36Å; G135-A138 PolarHBondContact O-N 3.49Å; G135-K139 WeakPolarHBondContact O-CG 3.44Å; G135-K139 PolarHBondContact O-N 2.93Å; G135-K139 VanDerWaalsContact O-N 3.12Å |
| 136 | K | 88.3 | Confident | 82.6 | Confident | 196 Ų | 196 | 94.4 Ų | 94.4 | 85% | 0.852 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -59.9 | -39.6 | 178.8 | -68.1 | -178.5 | 178.2 | 179 | 0 | 112.2 | K139 S140 | K136-K139 PolarHBondContact O-N 3.06Å; K136-S140 WeakPolarHBondContact O-CB 3.45Å; K136-S140 PolarHBondContact O-N 3.06Å |
| 137 | W | 89.5 | Confident | 83.2 | Confident | 130 Ų | 130 | 95.2 Ų | 95.2 | 49% | 0.492 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.8 | -53 | 178 | -176.1 | 93.7 | 0 | 0 | 0 | 112.1 | G135 K139 S140 K141 A154 Q158 | G135-W137 VanDerWaalsContact C-N 3.3Å; G135-W137 PolarHBondContact O-N 3.36Å; W137-K139 VanDerWaalsContact C-N 3.35Å; W137-K139 PolarHBondContact O-N 3.33Å; W137-S140 WeakPolarHBondContact O-CB 3.49Å; W137-S140 PolarHBondContact O-N 2.84Å; W137-S140 VanDerWaalsContact O-N 3.14Å; W137-K141 HydrophobicContact CD2-CG 4.09Å; W137-K141 HydrophobicContact CE3-CG 4.29Å; W137-K141 HydrophobicContact CH2-CG 4.14Å; W137-K141 HydrophobicContact CZ2-CG 3.95Å; W137-K141 HydrophobicContact CZ3-CB 4.48Å; W137-K141 HydrophobicContact CZ3-CG 4.26Å; W137-K141 PolarHBondContact O-N 3.12Å; W137-A154 HydrophobicContact CH2-CB 4.08Å; W137-A154 HydrophobicContact CZ2-CB 4.33Å; W137-Q158 VanDerWaalsContact CE3-OE1 3.3Å; W137-Q158 HydrophobicContact CZ3-CB 4.45Å |
| 138 | A | 89.8 | Confident | 83.9 | Confident | 4 Ų | 4 | 91 Ų | 91 | 3% | 0.033 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -55.6 | -45.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | N133 G135 A142 | N133-A138 VanDerWaalsContact C-CB 3.45Å; N133-A138 HydrophobicContact CB-CB 4.05Å; N133-A138 VanDerWaalsContact CG-CB 3.4Å; N133-A138 VanDerWaalsContact O-CB 3.25Å; N133-A138 WeakPolarHBondContact O-CB 3.49Å; N133-A138 WeakPolarHBondContact OD1-CB 3.35Å; G135-A138 PolarHBondContact O-N 3.49Å; A138-A142 VanDerWaalsContact O-CB 3.29Å; A138-A142 WeakPolarHBondContact O-CB 3.44Å; A138-A142 PolarHBondContact O-N 3.44Å |
| 139 | K | 89.4 | Confident | 84.7 | Confident | 112 Ų | 112 | 92.9 Ų | 92.9 | 49% | 0.487 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.8 | -42.9 | 176 | -73.3 | 169.6 | 173.1 | 153.4 | 0 | 112.2 | S134 G135 K136 W137 I143 | S134-K139 VanDerWaalsContact O-CE 3.26Å; S134-K139 WeakPolarHBondContact O-CE 3.18Å; S134-K139 PolarHBondContact O-NZ 3.32Å; S134-K139 PolarHBondContact OG-NZ 2.77Å; G135-K139 WeakPolarHBondContact O-CG 3.44Å; G135-K139 PolarHBondContact O-N 2.93Å; G135-K139 VanDerWaalsContact O-N 3.12Å; K136-K139 PolarHBondContact O-N 3.06Å; W137-K139 VanDerWaalsContact C-N 3.35Å; W137-K139 PolarHBondContact O-N 3.33Å; K139-I143 WeakPolarHBondContact O-CG1 3.24Å; K139-I143 PolarHBondContact O-N 3.39Å |
| 140 | S | 91.8 | Very high | 85.8 | Confident | 62 Ų | 62 | 95.2 Ų | 95.2 | 43% | 0.434 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.6 | -48.7 | 177.7 | -166.1 | 0 | 0 | 0 | 0 | 111.6 | K136 W137 A142 I143 M144 | K136-S140 WeakPolarHBondContact O-CB 3.45Å; K136-S140 PolarHBondContact O-N 3.06Å; W137-S140 WeakPolarHBondContact O-CB 3.49Å; W137-S140 PolarHBondContact O-N 2.84Å; W137-S140 VanDerWaalsContact O-N 3.14Å; S140-A142 VanDerWaalsContact C-N 3.33Å; S140-A142 PolarHBondContact O-N 3.38Å; S140-I143 PolarHBondContact O-N 2.86Å; S140-M144 WeakPolarHBondContact O-CG 3.39Å; S140-M144 PolarHBondContact O-N 3.49Å; S140-M144 VanDerWaalsContact O-N 3.07Å |
| 141 | K | 92.6 | Very high | 87.1 | Confident | 56 Ų | 56 | 86.2 Ų | 86.2 | 24% | 0.243 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -65.8 | -33.5 | 179.1 | -73.7 | -64.4 | -169.4 | 178.7 | 0 | 112.4 | W137 I143 M144 A145 A151 | W137-K141 HydrophobicContact CD2-CG 4.09Å; W137-K141 HydrophobicContact CE3-CG 4.29Å; W137-K141 HydrophobicContact CH2-CG 4.14Å; W137-K141 HydrophobicContact CZ2-CG 3.95Å; W137-K141 HydrophobicContact CZ3-CB 4.48Å; W137-K141 HydrophobicContact CZ3-CG 4.26Å; W137-K141 PolarHBondContact O-N 3.12Å; K141-I143 VanDerWaalsContact C-N 3.33Å; K141-I143 PolarHBondContact O-N 2.99Å; K141-M144 PolarHBondContact O-N 3.14Å; K141-A145 WeakPolarHBondContact O-CB 3.28Å; K141-A145 PolarHBondContact O-N 3.36Å; K141-A151 HydrophobicContact CD-CB 3.82Å |
| 142 | A | 90.8 | Very high | 88.2 | Confident | 42 Ų | 42 | 86.7 Ų | 86.7 | 35% | 0.347 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.8 | -35.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A138 S140 | A138-A142 VanDerWaalsContact O-CB 3.29Å; A138-A142 WeakPolarHBondContact O-CB 3.44Å; A138-A142 PolarHBondContact O-N 3.44Å; S140-A142 VanDerWaalsContact C-N 3.33Å; S140-A142 PolarHBondContact O-N 3.38Å |
| 143 | I | 91.4 | Very high | 89.5 | Confident | 116 Ų | 116 | 88 Ų | 88 | 60% | 0.595 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -69.7 | -46.2 | 174.4 | -64.8 | 165.8 | 0 | 0 | 0 | 110 | K139 S140 K141 A145 | K139-I143 WeakPolarHBondContact O-CG1 3.24Å; K139-I143 PolarHBondContact O-N 3.39Å; S140-I143 PolarHBondContact O-N 2.86Å; K141-I143 VanDerWaalsContact C-N 3.33Å; K141-I143 PolarHBondContact O-N 2.99Å; I143-A145 PolarHBondContact O-N 3.46Å |
| 144 | M | 91.8 | Very high | 90.6 | Very high | 73 Ų | 73 | 86.8 Ų | 86.8 | 36% | 0.36 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -69 | -29.5 | -179.7 | -66 | 175.7 | 74.4 | 0 | 0 | 113.3 | S140 K141 K146 Y147 D148 A151 | S140-M144 WeakPolarHBondContact O-CG 3.39Å; S140-M144 PolarHBondContact O-N 3.49Å; S140-M144 VanDerWaalsContact O-N 3.07Å; K141-M144 PolarHBondContact O-N 3.14Å; M144-K146 PolarHBondContact O-N 3.24Å; M144-Y147 PolarHBondContact O-N 3.29Å; M144-D148 WeakPolarHBondContact CE-OD2 3.47Å; M144-D148 PolarHBondContact O-N 3.27Å; M144-A151 HydrophobicContact CB-CB 3.95Å |
| 145 | A | 91.6 | Very high | 91.3 | Very high | 9 Ų | 9 | 86.9 Ų | 86.9 | 7% | 0.074 | 42% | 0.42 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -11.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | K141 I143 A151 R152 | K141-A145 WeakPolarHBondContact O-CB 3.28Å; K141-A145 PolarHBondContact O-N 3.36Å; I143-A145 PolarHBondContact O-N 3.46Å; A145-A151 HydrophobicContact CB-CB 4.44Å; A145-R152 HydrophobicContact CB-CB 4.09Å; A145-R152 PolarHBondContact O-NE 2.75Å; A145-R152 VanDerWaalsContact O-NE 3.11Å; A145-R152 PolarHBondContact O-NH2 2.77Å |
| 146 | K | 90.1 | Very high | 91.6 | Very high | 156 Ų | 156 | 91.7 Ų | 91.7 | 68% | 0.678 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -36.5 | 169.1 | -67.3 | -176.1 | 179.4 | -176.8 | 0 | 112 | M144 | M144-K146 PolarHBondContact O-N 3.24Š|
| 147 | Y | 93.7 | Very high | 91.8 | Very high | 190 Ų | 190 | 87 Ų | 87 | 75% | 0.745 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.9 | -35.4 | -171.5 | -52.2 | -73 | 0 | 0 | 0 | 112.2 | M144 | M144-Y147 PolarHBondContact O-N 3.29Š|
| 148 | D | 93.9 | Very high | 91.7 | Very high | 75 Ų | 75 | 84.1 Ų | 84.1 | 40% | 0.401 | 41% | 0.406 | S | S | . | . | trans | -107.5 | 124.3 | -175.4 | -61.5 | -24.2 | 0 | 0 | 0 | 111.9 | M144 A151 R152 | M144-D148 WeakPolarHBondContact CE-OD2 3.47Å; M144-D148 PolarHBondContact O-N 3.27Å; D148-A151 HydrophobicContact CB-CB 3.86Å; D148-A151 PolarHBondContact O-N 3.19Å; D148-R152 PolarHBondContact O-N 2.79Å | ||
| 149 | L | 93.2 | Very high | 91.7 | Very high | 117 Ų | 117 | 87 Ų | 87 | 61% | 0.613 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -67.7 | -38.3 | 177.8 | -66.9 | 176.4 | 0 | 0 | 0 | 112.1 | A151 R152 Q153 | L149-A151 VanDerWaalsContact C-N 3.32Å; L149-A151 PolarHBondContact O-N 3.26Å; L149-R152 WeakPolarHBondContact O-CA 3.36Å; L149-R152 VanDerWaalsContact O-CB 3.32Å; L149-R152 WeakPolarHBondContact O-CB 3.46Å; L149-R152 PolarHBondContact O-N 3.47Å; L149-R152 VanDerWaalsContact O-N 3.09Å; L149-Q153 WeakPolarHBondContact O-CG 3.4Å; L149-Q153 PolarHBondContact O-N 2.75Å |
| 150 | E | 93.2 | Very high | 91.7 | Very high | 155 Ų | 155 | 83.7 Ų | 83.7 | 72% | 0.724 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -63.2 | -38.5 | 176.4 | -65.7 | -178.9 | 176.6 | 0 | 0 | 112 | R152 Q153 A154 | E150-R152 PolarHBondContact O-N 2.76Å; E150-Q153 PolarHBondContact O-N 2.67Å; E150-A154 WeakPolarHBondContact O-CB 3.49Å; E150-A154 PolarHBondContact O-N 3.02Å |
| 151 | A | 93 | Very high | 91.5 | Very high | 1 Ų | 1 | 86.3 Ų | 86.3 | 1% | 0.008 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -64.7 | -31.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K141 M144 A145 D148 L149 M155 | K141-A151 HydrophobicContact CD-CB 3.82Å; M144-A151 HydrophobicContact CB-CB 3.95Å; A145-A151 HydrophobicContact CB-CB 4.44Å; D148-A151 HydrophobicContact CB-CB 3.86Å; D148-A151 PolarHBondContact O-N 3.19Å; L149-A151 VanDerWaalsContact C-N 3.32Å; L149-A151 PolarHBondContact O-N 3.26Å; A151-M155 WeakPolarHBondContact O-CB 3.38Å; A151-M155 PolarHBondContact O-N 3.02Å |
| 152 | R | 92.3 | Very high | 91.1 | Very high | 115 Ų | 115 | 85.9 Ų | 85.9 | 43% | 0.434 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -72.1 | -45 | 174.8 | -165.6 | 179.6 | -62.3 | 161 | 2.4 | 111.5 | A145 D148 L149 E150 M155 Q156 | A145-R152 HydrophobicContact CB-CB 4.09Å; A145-R152 PolarHBondContact O-NE 2.75Å; A145-R152 VanDerWaalsContact O-NE 3.11Å; A145-R152 PolarHBondContact O-NH2 2.77Å; D148-R152 PolarHBondContact O-N 2.79Å; L149-R152 WeakPolarHBondContact O-CA 3.36Å; L149-R152 VanDerWaalsContact O-CB 3.32Å; L149-R152 WeakPolarHBondContact O-CB 3.46Å; L149-R152 PolarHBondContact O-N 3.47Å; L149-R152 VanDerWaalsContact O-N 3.09Å; E150-R152 PolarHBondContact O-N 2.76Å; R152-M155 PolarHBondContact O-N 3.23Å; R152-Q156 PolarHBondContact O-N 3.32Å |
| 153 | Q | 94.4 | Very high | 90.8 | Very high | 113 Ų | 113 | 90.2 Ų | 90.2 | 53% | 0.528 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.5 | -48.9 | 176 | -71.8 | 173.3 | -10.5 | 0 | 0 | 111.3 | L149 E150 M155 Q156 E157 | L149-Q153 WeakPolarHBondContact O-CG 3.4Å; L149-Q153 PolarHBondContact O-N 2.75Å; E150-Q153 PolarHBondContact O-N 2.67Å; Q153-M155 VanDerWaalsContact C-N 3.26Å; Q153-M155 PolarHBondContact O-N 3.17Å; Q153-Q156 CarbonylContact O-C 3.54Å; Q153-Q156 WeakPolarHBondContact O-CA 3.17Å; Q153-Q156 WeakPolarHBondContact O-CB 3.07Å; Q153-Q156 PolarHBondContact O-N 2.84Å; Q153-E157 WeakPolarHBondContact O-CG 3.45Å; Q153-E157 PolarHBondContact O-N 3.28Å |
| 154 | A | 92.9 | Very high | 90.6 | Very high | 24 Ų | 24 | 90.6 Ų | 90.6 | 20% | 0.198 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -59.2 | -35.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | W137 E150 Q158 | W137-A154 HydrophobicContact CH2-CB 4.08Å; W137-A154 HydrophobicContact CZ2-CB 4.33Å; E150-A154 WeakPolarHBondContact O-CB 3.49Å; E150-A154 PolarHBondContact O-N 3.02Å; A154-Q158 PolarHBondContact O-N 3.05Å; A154-Q158 VanDerWaalsContact O-N 3.09Å |
| 155 | M | 88.8 | Confident | 90.2 | Very high | 44 Ų | 44 | 94.3 Ų | 94.3 | 22% | 0.217 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -70.7 | -38.1 | 175.7 | -163.7 | -105.4 | -69.8 | 0 | 0 | 111.6 | A151 R152 Q153 Q158 L159 | A151-M155 WeakPolarHBondContact O-CB 3.38Å; A151-M155 PolarHBondContact O-N 3.02Å; R152-M155 PolarHBondContact O-N 3.23Å; Q153-M155 VanDerWaalsContact C-N 3.26Å; Q153-M155 PolarHBondContact O-N 3.17Å; M155-Q158 PolarHBondContact O-N 3.4Å; M155-L159 WeakPolarHBondContact O-CG 3.34Å; M155-L159 PolarHBondContact O-N 3.26Å; M155-L159 HydrophobicContact SD-CD1 3.91Å |
| 156 | Q | 90.8 | Very high | 89.5 | Confident | 135 Ų | 135 | 98.1 Ų | 98.1 | 63% | 0.631 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -67.9 | -39.4 | 175.2 | -174.2 | 171 | -13.2 | 0 | 0 | 112.2 | R152 Q153 L159 S160 | R152-Q156 PolarHBondContact O-N 3.32Å; Q153-Q156 CarbonylContact O-C 3.54Å; Q153-Q156 WeakPolarHBondContact O-CA 3.17Å; Q153-Q156 WeakPolarHBondContact O-CB 3.07Å; Q153-Q156 PolarHBondContact O-N 2.84Å; Q156-L159 CarbonylContact O-C 3.56Å; Q156-L159 PolarHBondContact O-N 2.87Å; Q156-S160 PolarHBondContact O-N 3.26Å |
| 157 | E | 92.7 | Very high | 89.1 | Confident | 99 Ų | 99 | 97.7 Ų | 97.7 | 46% | 0.463 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.7 | -40.2 | 174.3 | -73.8 | 173.5 | -156.6 | 0 | 0 | 112.4 | Q153 L159 S160 K161 | Q153-E157 WeakPolarHBondContact O-CG 3.45Å; Q153-E157 PolarHBondContact O-N 3.28Å; E157-L159 VanDerWaalsContact C-N 3.27Å; E157-L159 PolarHBondContact O-N 3.43Å; E157-S160 WeakPolarHBondContact CA-OG 3.45Å; E157-S160 PolarHBondContact O-N 3.07Å; E157-S160 PolarHBondContact O-OG 3.25Å; E157-K161 WeakPolarHBondContact O-CB 3.33Å; E157-K161 VanDerWaalsContact O-CG 3.26Å; E157-K161 WeakPolarHBondContact O-CG 3.43Å; E157-K161 PolarHBondContact O-N 3.42Å |
| 158 | Q | 88.6 | Confident | 88 | Confident | 68 Ų | 68 | 97.8 Ų | 97.8 | 32% | 0.318 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.3 | -41.3 | 174.3 | -170.3 | -165 | -32.3 | 0 | 0 | 110.7 | Q132 W137 A154 M155 N162 | Q132-Q158 PolarHBondContact O-NE2 2.86Å; W137-Q158 VanDerWaalsContact CE3-OE1 3.3Å; W137-Q158 HydrophobicContact CZ3-CB 4.45Å; A154-Q158 PolarHBondContact O-N 3.05Å; A154-Q158 VanDerWaalsContact O-N 3.09Å; M155-Q158 PolarHBondContact O-N 3.4Å; Q158-N162 WeakPolarHBondContact O-CB 3.42Å; Q158-N162 PolarHBondContact O-N 2.93Å |
| 159 | L | 87.9 | Confident | 86.8 | Confident | 65 Ų | 65 | 102.1 Ų | 102.1 | 34% | 0.34 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.4 | -38.1 | 177.1 | -67.4 | 174.7 | 0 | 0 | 0 | 112.3 | M155 Q156 E157 N162 K163 | M155-L159 WeakPolarHBondContact O-CG 3.34Å; M155-L159 PolarHBondContact O-N 3.26Å; M155-L159 HydrophobicContact SD-CD1 3.91Å; Q156-L159 CarbonylContact O-C 3.56Å; Q156-L159 PolarHBondContact O-N 2.87Å; E157-L159 VanDerWaalsContact C-N 3.27Å; E157-L159 PolarHBondContact O-N 3.43Å; L159-N162 PolarHBondContact O-N 3.09Å; L159-K163 WeakPolarHBondContact O-CG 3.27Å; L159-K163 PolarHBondContact O-N 3Å |
| 160 | S | 89.3 | Confident | 84.9 | Confident | 43 Ų | 43 | 105.6 Ų | 105.6 | 30% | 0.301 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.7 | -48.2 | 176.9 | 69.6 | 0 | 0 | 0 | 0 | 110.9 | Q156 E157 N162 K163 E164 | Q156-S160 PolarHBondContact O-N 3.26Å; E157-S160 WeakPolarHBondContact CA-OG 3.45Å; E157-S160 PolarHBondContact O-N 3.07Å; E157-S160 PolarHBondContact O-OG 3.25Å; S160-N162 VanDerWaalsContact C-N 3.26Å; S160-N162 PolarHBondContact O-N 3.32Å; S160-K163 CarbonylContact O-C 3.55Å; S160-K163 WeakPolarHBondContact O-CA 3.36Å; S160-K163 WeakPolarHBondContact O-CB 3.28Å; S160-K163 PolarHBondContact O-N 3.2Å; S160-E164 WeakPolarHBondContact O-CG 3.48Å; S160-E164 PolarHBondContact O-N 3.3Å |
| 161 | K | 88.1 | Confident | 82.9 | Confident | 116 Ų | 116 | 104 Ų | 104 | 50% | 0.504 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.2 | -39.6 | 174.8 | -72.3 | 172.3 | -178.6 | 170 | 0 | 111.9 | E157 E164 L165 | E157-K161 WeakPolarHBondContact O-CB 3.33Å; E157-K161 VanDerWaalsContact O-CG 3.26Å; E157-K161 WeakPolarHBondContact O-CG 3.43Å; E157-K161 PolarHBondContact O-N 3.42Å; K161-E164 PolarHBondContact O-N 2.94Å; K161-L165 WeakPolarHBondContact O-CB 3.35Å; K161-L165 VanDerWaalsContact O-CG 3.25Å; K161-L165 WeakPolarHBondContact O-CG 3.48Å; K161-L165 PolarHBondContact O-N 2.77Å |
| 162 | N | 83.8 | Confident | 81 | Confident | 48 Ų | 48 | 107.8 Ų | 107.8 | 26% | 0.257 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.1 | -41.5 | 174.9 | -171.1 | -98.5 | 0 | 0 | 0 | 112.4 | Q132 Q158 L159 S160 L165 T166 | Q132-N162 PolarHBondContact OE1-ND2 3.43Å; Q132-N162 PolarHBondContact OE1-OD1 3.42Å; Q158-N162 WeakPolarHBondContact O-CB 3.42Å; Q158-N162 PolarHBondContact O-N 2.93Å; L159-N162 PolarHBondContact O-N 3.09Å; S160-N162 VanDerWaalsContact C-N 3.26Å; S160-N162 PolarHBondContact O-N 3.32Å; N162-L165 PolarHBondContact O-N 3.49Å; N162-T166 WeakPolarHBondContact O-CB 3.43Å; N162-T166 VanDerWaalsContact O-CG2 3.3Å; N162-T166 WeakPolarHBondContact O-CG2 3.41Å; N162-T166 PolarHBondContact O-N 3.44Å; N162-T166 PolarHBondContact O-OG1 3.32Å |
| 163 | K | 84.8 | Confident | 78.6 | Confident | 133 Ų | 133 | 108 Ų | 108 | 58% | 0.578 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.1 | -42.6 | 175 | -71.6 | 172.2 | -177.8 | -179.3 | 0 | 111.6 | L159 S160 T166 Q167 | L159-K163 WeakPolarHBondContact O-CG 3.27Å; L159-K163 PolarHBondContact O-N 3Å; S160-K163 CarbonylContact O-C 3.55Å; S160-K163 WeakPolarHBondContact O-CA 3.36Å; S160-K163 WeakPolarHBondContact O-CB 3.28Å; S160-K163 PolarHBondContact O-N 3.2Å; K163-T166 PolarHBondContact O-N 3.2Å; K163-T166 PolarHBondContact O-OG1 3.42Å; K163-Q167 VanDerWaalsContact O-CB 3.24Å; K163-Q167 WeakPolarHBondContact O-CB 3.09Å; K163-Q167 VanDerWaalsContact O-CG 3.29Å; K163-Q167 WeakPolarHBondContact O-CG 3.37Å; K163-Q167 PolarHBondContact O-N 2.87Å |
| 164 | E | 87.9 | Confident | 76.2 | Confident | 123 Ų | 123 | 111.5 Ų | 111.5 | 58% | 0.575 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -60.4 | -46.4 | 176.2 | -71.3 | 159.7 | -152.5 | 0 | 0 | 111.1 | S160 K161 T166 | S160-E164 WeakPolarHBondContact O-CG 3.48Å; S160-E164 PolarHBondContact O-N 3.3Å; K161-E164 PolarHBondContact O-N 2.94Å; E164-T166 VanDerWaalsContact C-N 3.32Å; E164-T166 PolarHBondContact O-N 3.43Å |
| 165 | L | 83.3 | Confident | 73.6 | Confident | 151 Ų | 151 | 115.5 Ų | 115.5 | 79% | 0.791 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -68.7 | -27.4 | 178.2 | -69.7 | 172.2 | 0 | 0 | 0 | 113.9 | K161 N162 | K161-L165 WeakPolarHBondContact O-CB 3.35Å; K161-L165 VanDerWaalsContact O-CG 3.25Å; K161-L165 WeakPolarHBondContact O-CG 3.48Å; K161-L165 PolarHBondContact O-N 2.77Å; N162-L165 PolarHBondContact O-N 3.49Å |
| 166 | T | 77.2 | Confident | 71.3 | Confident | 90 Ų | 90 | 121.9 Ų | 121.9 | 55% | 0.552 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -99.2 | -13.9 | -178.2 | 56.3 | 0 | 0 | 0 | 0 | 113.5 | N162 K163 E164 K168 | N162-T166 WeakPolarHBondContact O-CB 3.43Å; N162-T166 VanDerWaalsContact O-CG2 3.3Å; N162-T166 WeakPolarHBondContact O-CG2 3.41Å; N162-T166 PolarHBondContact O-N 3.44Å; N162-T166 PolarHBondContact O-OG1 3.32Å; K163-T166 PolarHBondContact O-N 3.2Å; K163-T166 PolarHBondContact O-OG1 3.42Å; E164-T166 VanDerWaalsContact C-N 3.32Å; E164-T166 PolarHBondContact O-N 3.43Å; T166-K168 PolarHBondContact O-N 2.96Å |
| 167 | Q | 82.3 | Confident | 68.8 | Low | 147 Ų | 147 | 124.2 Ų | 124.2 | 69% | 0.687 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -64.4 | 107.7 | 168.7 | -92.5 | -179.9 | 4.9 | 0 | 0 | 107.7 | K163 L169 | K163-Q167 VanDerWaalsContact O-CB 3.24Å; K163-Q167 WeakPolarHBondContact O-CB 3.09Å; K163-Q167 VanDerWaalsContact O-CG 3.29Å; K163-Q167 WeakPolarHBondContact O-CG 3.37Å; K163-Q167 PolarHBondContact O-N 2.87Å; Q167-L169 PolarHBondContact O-N 2.86Å |
| 168 | K | 69.4 | Low | 66 | Low | 192 Ų | 192 | 128 Ų | 128 | 84% | 0.835 | 66% | 0.661 | S | S | * | * | trans | -64.3 | 124.8 | 166.5 | -64.1 | -178.9 | 178.3 | -177 | 0 | 106.7 | T166 Q170 | T166-K168 PolarHBondContact O-N 2.96Å; K168-Q170 PolarHBondContact O-N 3.03Å | ||
| 169 | L | 68.8 | Low | 63.5 | Low | 166 Ų | 166 | 133.7 Ų | 133.7 | 87% | 0.869 | 69% | 0.688 | S | S | * | * | trans | -52.6 | 111.9 | 168.2 | -69.6 | 171.7 | 0 | 0 | 0 | 106.9 | Q167 V171 | Q167-L169 PolarHBondContact O-N 2.86Å; L169-V171 PolarHBondContact O-N 3.47Å | ||
| 170 | Q | 54.7 | Low | 60.8 | Low | 190 Ų | 190 | 134.4 Ų | 134.4 | 89% | 0.888 | 71% | 0.711 | S | S | * | * | trans | -66.6 | 93 | 163.1 | -79.7 | -178.1 | -15.4 | 0 | 0 | 105 | K168 A172 | K168-Q170 PolarHBondContact O-N 3.03Å; Q170-A172 VanDerWaalsContact C-N 3.35Å; Q170-A172 PolarHBondContact O-N 2.97Å | ||
| 171 | V | 50.7 | Low | 57.9 | Low | 122 Ų | 122 | 136.2 Ų | 136.2 | 74% | 0.739 | 74% | 0.736 | S | S | * | * | trans | -56.6 | 112.3 | 155.8 | 177.4 | 0 | 0 | 0 | 0 | 103.5 | L169 S173 | L169-V171 PolarHBondContact O-N 3.47Å; V171-S173 VanDerWaalsContact C-N 3.33Å; V171-S173 PolarHBondContact O-N 3.26Å | ||
| 172 | A | 52.3 | Low | 55.6 | Low | 79 Ų | 79 | 137 Ų | 137 | 65% | 0.653 | 75% | 0.751 | S | S | * | * | trans | -47.4 | 107.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 105.9 | Q170 E174 | Q170-A172 VanDerWaalsContact C-N 3.35Å; Q170-A172 PolarHBondContact O-N 2.97Å; A172-E174 PolarHBondContact O-N 3.07Å | ||
| 173 | S | 42.8 | Very low | 53.4 | Low | 119 Ų | 119 | 143 Ų | 143 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | -64.4 | 104.3 | 162.6 | -60.2 | 0 | 0 | 0 | 0 | 102.9 | V171 S175 | V171-S173 VanDerWaalsContact C-N 3.33Å; V171-S173 PolarHBondContact O-N 3.26Å; S173-S175 PolarHBondContact O-N 3.25Å | ||
| 174 | E | 44.3 | Very low | 51.4 | Low | 187 Ų | 187 | 143.8 Ų | 143.8 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -47.3 | 126.8 | -179.4 | -77.1 | 170.7 | 142.5 | 0 | 0 | 108.8 | A172 E176 | A172-E174 PolarHBondContact O-N 3.07Å; E174-E176 PolarHBondContact O-N 3.04Å |
| 175 | S | 36.6 | Very low | 49.1 | Very low | 109 Ų | 109 | 143.9 Ų | 143.9 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -53 | 117.7 | 170.1 | -169.5 | 0 | 0 | 0 | 0 | 108.7 | S173 | S173-S175 PolarHBondContact O-N 3.25Š|
| 176 | E | 42.2 | Very low | 47.5 | Very low | 178 Ų | 178 | 145.9 Ų | 145.9 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 139.5 | 158.3 | -101.5 | -178.1 | 154.4 | 0 | 0 | 109.3 | E174 | E174-E176 PolarHBondContact O-N 3.04Š|
| 177 | E | 36.7 | Very low | 46.3 | Very low | 183 Ų | 183 | 149.2 Ų | 149.2 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | trans | 73.4 | 119.6 | 171.9 | -55.5 | -179.1 | 165.8 | 0 | 0 | 114.8 | ||||
| 178 | E | 34.4 | Very low | 44.5 | Very low | 178 Ų | 178 | 149.8 Ų | 149.8 | 83% | 0.832 | 82% | 0.818 | S | S | * | * | cis | -163.4 | 130.5 | 38.8 | -169.8 | -175.4 | -153.7 | 0 | 0 | 110.5 | ||||
| 179 | E | 36.7 | Very low | 43.5 | Very low | 189 Ų | 189 | 147 Ų | 147 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | trans | 33.5 | 118.1 | 142.3 | -150.3 | 170.6 | -172.7 | 0 | 0 | 121.9 | ||||
| 180 | G | 30.8 | Very low | 42.4 | Very low | 80 Ų | 80 | 145.4 Ų | 145.4 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | 149.3 | 107.4 | 147.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 181 | G | 29 | Very low | 41.7 | Very low | 81 Ų | 81 | 140.8 Ų | 140.8 | 84% | 0.835 | 80% | 0.795 | S | S | * | * | trans | 105.9 | 79.8 | 151.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 182 | T | 38.7 | Very low | 41.6 | Very low | 132 Ų | 132 | 142.4 Ų | 142.4 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | trans | -63.7 | 121.7 | 154 | 36.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 183 | E | 39.1 | Very low | 41.6 | Very low | 175 Ų | 175 | 143.5 Ų | 143.5 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | 158.4 | 136.3 | 133.3 | -83.8 | 171.1 | -171.2 | 0 | 0 | 110.4 | ||||
| 184 | D | 41.9 | Very low | 41.6 | Very low | 148 Ų | 148 | 144.1 Ų | 144.1 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | 74.1 | 81 | 166.4 | -57.5 | -24.1 | 0 | 0 | 0 | 120.6 | ||||
| 185 | V | 40.3 | Very low | 41.7 | Very low | 126 Ų | 126 | 142.1 Ų | 142.1 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | trans | -149.8 | 74.5 | 131.8 | -169.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 186 | E | 49.9 | Very low | 42.1 | Very low | 192 Ų | 192 | 144.6 Ų | 144.6 | 90% | 0.897 | 79% | 0.791 | S | S | * | * | trans | -64.8 | 137.2 | 150.5 | -157.8 | 165.1 | -163.1 | 0 | 0 | 106.7 | ||||
| 187 | E | 50 | Low | 42.2 | Very low | 160 Ų | 160 | 141.3 Ų | 141.3 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | 90.3 | 66.4 | 170.7 | -146.2 | 172.4 | -146 | 0 | 0 | 118.9 | L189 | E187-L189 HydrophobicContact CG-CG 4.4Š| ||
| 188 | L | 45.6 | Very low | 42.5 | Very low | 160 Ų | 160 | 140.1 Ų | 140.1 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | trans | -124.7 | 70 | 145.6 | -83.7 | 173.9 | 0 | 0 | 0 | 110.4 | V190 | L188-V190 PolarHBondContact O-N 3.07Š| ||
| 189 | L | 47.3 | Very low | 43 | Very low | 133 Ų | 133 | 139.4 Ų | 139.4 | 70% | 0.696 | 78% | 0.776 | S | S | * | * | trans | 16.9 | 98.5 | 136.9 | -66.4 | 159 | 0 | 0 | 0 | 115.5 | E187 P191 | E187-L189 HydrophobicContact CG-CG 4.4Å; L189-P191 VanDerWaalsContact O-CD 3.24Å; L189-P191 WeakPolarHBondContact O-CD 3.3Å | ||
| 190 | V | 45.8 | Very low | 43.3 | Very low | 132 Ų | 132 | 136.1 Ų | 136.1 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | trans | -62 | 119.1 | 148.6 | 177.8 | 0 | 0 | 0 | 0 | 106.6 | L188 D192 | L188-V190 PolarHBondContact O-N 3.07Å; V190-D192 PolarHBondContact O-N 2.76Å | ||
| 191 | P | 40.8 | Very low | 44.2 | Very low | 94 Ų | 94 | 137.5 Ų | 137.5 | 61% | 0.61 | 77% | 0.768 | S | S | * | * | trans | -69.3 | 104.6 | 171.1 | -17.7 | 32.9 | 0 | 0 | 0 | 108.9 | L189 V193 | L189-P191 VanDerWaalsContact O-CD 3.24Å; L189-P191 WeakPolarHBondContact O-CD 3.3Å; P191-V193 PolarHBondContact O-N 3.29Å | ||
| 192 | D | 49.3 | Very low | 45.5 | Very low | 155 Ų | 155 | 140.7 Ų | 140.7 | 83% | 0.829 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 28.3 | 170.8 | -163.4 | 25 | 0 | 0 | 0 | 112.6 | V190 | V190-D192 PolarHBondContact O-N 2.76Š|
| 193 | V | 50.9 | Low | 46.8 | Very low | 103 Ų | 103 | 137.4 Ų | 137.4 | 62% | 0.624 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.8 | -6.1 | -172.7 | 164 | 0 | 0 | 0 | 0 | 112.3 | P191 N195 | P191-V193 PolarHBondContact O-N 3.29Å; V193-N195 VanDerWaalsContact C-N 3.31Å; V193-N195 PolarHBondContact O-N 3.31Å |
| 194 | V | 42.9 | Very low | 48.4 | Very low | 131 Ų | 131 | 134.7 Ų | 134.7 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | 2 | -176 | -156 | 0 | 0 | 0 | 0 | 113.1 | ||
| 195 | N | 47.1 | Very low | 49.5 | Very low | 146 Ų | 146 | 131.8 Ų | 131.8 | 78% | 0.781 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | 11 | 175.8 | -138.6 | 23.4 | 0 | 0 | 0 | 114.2 | V193 V197 | V193-N195 VanDerWaalsContact C-N 3.31Å; V193-N195 PolarHBondContact O-N 3.31Å; N195-V197 PolarHBondContact O-N 3.13Å; N195-V197 VanDerWaalsContact O-N 3.09Å |
| 196 | E | 44.4 | Very low | 51 | Low | 161 Ų | 161 | 130.3 Ų | 130.3 | 75% | 0.752 | 73% | 0.733 | S | S | * | * | trans | -75.1 | 96.2 | 162.1 | -73.7 | -170.8 | 171.4 | 0 | 0 | 108.9 | Q198 | E196-Q198 VanDerWaalsContact C-N 3.34Å; E196-Q198 PolarHBondContact O-N 2.92Å | ||
| 197 | V | 43.6 | Very low | 51.5 | Low | 108 Ų | 108 | 131.5 Ų | 131.5 | 66% | 0.655 | 73% | 0.729 | S | S | * | * | trans | -54.5 | 102.3 | 162.8 | 174 | 0 | 0 | 0 | 0 | 107 | N195 M199 | N195-V197 PolarHBondContact O-N 3.13Å; N195-V197 VanDerWaalsContact O-N 3.09Å; V197-M199 HydrophobicContact CB-SD 4.3Å; V197-M199 HydrophobicContact CG1-CG 4.49Å; V197-M199 HydrophobicContact CG1-SD 3.88Å; V197-M199 PolarHBondContact O-N 3.06Å; V197-M199 VanDerWaalsContact O-SD 3.4Å | ||
| 198 | Q | 44.2 | Very low | 52 | Low | 159 Ų | 159 | 131.2 Ų | 131.2 | 74% | 0.743 | 73% | 0.73 | S | S | * | * | trans | -60.1 | 96.9 | 159.1 | -70.8 | -173.8 | 17.5 | 0 | 0 | 106.4 | E196 N200 | E196-Q198 VanDerWaalsContact C-N 3.34Å; E196-Q198 PolarHBondContact O-N 2.92Å; Q198-N200 PolarHBondContact O-N 2.85Å; Q198-N200 PolarHBondContact O-ND2 2.82Å | ||
| 199 | M | 45.1 | Very low | 52.6 | Low | 163 Ų | 163 | 130.2 Ų | 130.2 | 80% | 0.803 | 73% | 0.725 | S | S | * | * | trans | -61.1 | 92.1 | 157.5 | -79.4 | 84.7 | 153.7 | 0 | 0 | 105.9 | V197 A201 | V197-M199 HydrophobicContact CB-SD 4.3Å; V197-M199 HydrophobicContact CG1-CG 4.49Å; V197-M199 HydrophobicContact CG1-SD 3.88Å; V197-M199 PolarHBondContact O-N 3.06Å; V197-M199 VanDerWaalsContact O-SD 3.4Å; M199-A201 PolarHBondContact O-N 3.11Å | ||
| 200 | N | 42.5 | Very low | 52.8 | Low | 120 Ų | 120 | 134.7 Ų | 134.7 | 64% | 0.642 | 73% | 0.732 | S | S | * | * | trans | -52.8 | 131.2 | 164 | -68.5 | -77.8 | 0 | 0 | 0 | 107.2 | Q198 D202 | Q198-N200 PolarHBondContact O-N 2.85Å; Q198-N200 PolarHBondContact O-ND2 2.82Å; N200-D202 PolarHBondContact O-N 3.3Å | ||
| 201 | A | 50.8 | Low | 52.7 | Low | 108 Ų | 108 | 133.3 Ų | 133.3 | 89% | 0.893 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -64.9 | 0.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | M199 G203 | M199-A201 PolarHBondContact O-N 3.11Å; A201-G203 PolarHBondContact O-N 3.43Å |
| 202 | D | 55.3 | Low | 52.5 | Low | 149 Ų | 149 | 134.9 Ų | 134.9 | 80% | 0.797 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -92.7 | 95 | 171.7 | -67.7 | -40.7 | 0 | 0 | 0 | 110 | N200 | N200-D202 PolarHBondContact O-N 3.3Š|
| 203 | G | 66.6 | Low | 52.1 | Low | 62 Ų | 62 | 133.8 Ų | 133.8 | 64% | 0.639 | 74% | 0.739 | S | S | * | * | trans | 43 | 124.6 | 150.6 | 0 | 0 | 0 | 0 | 0 | 119.8 | A201 N205 | A201-G203 PolarHBondContact O-N 3.43Å; G203-N205 PolarHBondContact O-N 3.31Å | ||
| 204 | P | 71.9 | Confident | 51.5 | Low | 119 Ų | 119 | 133.3 Ų | 133.3 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | trans | -55.3 | 132.8 | 172.2 | -21.9 | 31.6 | 0 | 0 | 0 | 112.5 | ||||
| 205 | N | 64.3 | Low | 51 | Low | 87 Ų | 87 | 133.9 Ų | 133.9 | 47% | 0.465 | 74% | 0.739 | S | S | . | * | trans | -45 | 119.1 | 176.3 | 177.9 | -9.5 | 0 | 0 | 0 | 111.8 | G203 W207 M208 | G203-N205 PolarHBondContact O-N 3.31Å; N205-W207 PolarHBondContact O-N 3.03Å; N205-W207 PolarHBondContact OD1-N 3.44Å; N205-M208 HydrophobicContact CB-CG 4.18Å; N205-M208 PolarHBondContact O-N 2.89Å | ||
| 206 | P | 72.4 | Confident | 50.4 | Low | 95 Ų | 95 | 133 Ų | 133 | 62% | 0.617 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -15 | -170.5 | 25.6 | -35.5 | 0 | 0 | 0 | 114.3 | ||
| 207 | W | 61.2 | Low | 50 | Low | 216 Ų | 216 | 134.5 Ų | 134.5 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -8.9 | 176.7 | -71.7 | -72.1 | 0 | 0 | 0 | 114.3 | N205 | N205-W207 PolarHBondContact O-N 3.03Å; N205-W207 PolarHBondContact OD1-N 3.44Å |
| 208 | M | 59.8 | Low | 49.6 | Very low | 155 Ų | 155 | 138.7 Ų | 138.7 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -88.5 | -8.9 | 177.9 | -66.3 | -68 | -71.1 | 0 | 0 | 113.2 | N205 R210 | N205-M208 HydrophobicContact CB-CG 4.18Å; N205-M208 PolarHBondContact O-N 2.89Å; M208-R210 VanDerWaalsContact C-N 3.27Å; M208-R210 PolarHBondContact O-N 2.97Å; M208-R210 VanDerWaalsContact O-N 3.14Å |
| 209 | L | 58.9 | Low | 49.2 | Very low | 139 Ų | 139 | 135.8 Ų | 135.8 | 73% | 0.728 | 76% | 0.759 | S | S | * | * | trans | -88.1 | 64.7 | 172.9 | -77.4 | 150.4 | 0 | 0 | 0 | 110.3 | ||||
| 210 | R | 51.7 | Low | 48.5 | Very low | 227 Ų | 227 | 132.3 Ų | 132.3 | 86% | 0.857 | 76% | 0.756 | S | S | * | * | trans | -92.6 | 96.2 | 157.7 | -85.2 | -179.6 | 152.4 | -131 | -4.9 | 106.7 | M208 C212 | M208-R210 VanDerWaalsContact C-N 3.27Å; M208-R210 PolarHBondContact O-N 2.97Å; M208-R210 VanDerWaalsContact O-N 3.14Å; R210-C212 PolarHBondContact O-N 3.31Å | ||
| 211 | S | 43.2 | Very low | 48.1 | Very low | 102 Ų | 102 | 132.3 Ų | 132.3 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | trans | -52.2 | 102.2 | 174.5 | 37.9 | 0 | 0 | 0 | 0 | 111.2 | T213 | S211-T213 VanDerWaalsContact C-N 3.34Å; S211-T213 PolarHBondContact O-N 3.47Å | ||
| 212 | C | 36.8 | Very low | 47.3 | Very low | 127 Ų | 127 | 134.8 Ų | 134.8 | 86% | 0.858 | 75% | 0.754 | S | S | * | * | trans | -72.9 | 92.5 | 150.3 | -64.6 | 0 | 0 | 0 | 0 | 107 | R210 | R210-C212 PolarHBondContact O-N 3.31Š| ||
| 213 | T | 40.4 | Very low | 46.2 | Very low | 132 Ų | 132 | 135.8 Ų | 135.8 | 81% | 0.81 | 75% | 0.754 | S | S | * | * | trans | -110.5 | 88.5 | 160.9 | 53.4 | 0 | 0 | 0 | 0 | 107.7 | S211 | S211-T213 VanDerWaalsContact C-N 3.34Å; S211-T213 PolarHBondContact O-N 3.47Å | ||
| 214 | S | 38.4 | Very low | 44.6 | Very low | 93 Ų | 93 | 139.5 Ų | 139.5 | 65% | 0.65 | 76% | 0.759 | S | S | * | * | trans | -113.7 | 120.5 | 154.8 | 52.1 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 215 | D | 33.4 | Very low | 43.5 | Very low | 144 Ų | 144 | 139 Ų | 139 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | trans | 72.5 | 99.1 | 160.8 | -45.9 | -38.8 | 0 | 0 | 0 | 118 | ||||
| 216 | T | 34.3 | Very low | 42 | Very low | 127 Ų | 127 | 142.1 Ų | 142.1 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | -174.1 | 133.9 | 102.7 | 4.7 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 217 | K | 35.9 | Very low | 40.1 | Very low | 192 Ų | 192 | 145.9 Ų | 145.9 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | trans | 86.4 | 106 | 147.1 | -67.2 | 175.7 | -177.3 | -178.8 | 0 | 119.9 | ||||
| 218 | E | 35.1 | Very low | 38.9 | Very low | 197 Ų | 197 | 143.2 Ų | 143.2 | 92% | 0.921 | 78% | 0.778 | S | S | * | * | trans | -61 | 141.8 | 149 | -55.6 | -160.7 | 159.3 | 0 | 0 | 112.4 | ||||
| 219 | A | 34.9 | Very low | 37.8 | Very low | 98 Ų | 98 | 141.9 Ų | 141.9 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | -173.1 | 121.7 | 134.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 220 | A | 31.3 | Very low | 36.7 | Very low | 90 Ų | 90 | 143 Ų | 143 | 74% | 0.744 | 78% | 0.782 | S | S | * | * | trans | 48.6 | 110.1 | 147 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 221 | T | 33.9 | Very low | 35.5 | Very low | 120 Ų | 120 | 140 Ų | 140 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | 67.6 | 129.3 | 82.6 | -51.1 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 222 | Q | 34.3 | Very low | 34.8 | Very low | 160 Ų | 160 | 142.6 Ų | 142.6 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | cis | -158.7 | 157.3 | 12.6 | -115.2 | 152.8 | 14 | 0 | 0 | 104.8 | ||||
| 223 | E | 32.3 | Very low | 34.5 | Very low | 170 Ų | 170 | 141.6 Ų | 141.6 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | -177.1 | 139.6 | 82.6 | -77.6 | -80.2 | 132 | 0 | 0 | 108 | |||||
| 224 | D | 32.6 | Very low | 33.9 | Very low | 140 Ų | 140 | 143.1 Ų | 143.1 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | trans | -105.6 | 149.2 | 171.6 | -153.9 | 2.6 | 0 | 0 | 0 | 106.9 | ||||
| 225 | P | 48.2 | Very low | 33.7 | Very low | 108 Ų | 108 | 142.2 Ų | 142.2 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | -151.4 | 167.5 | 96.7 | 39.2 | -20.1 | 0 | 0 | 0 | 112.3 | |||||
| 226 | E | 32.9 | Very low | 33.3 | Very low | 153 Ų | 153 | 140.9 Ų | 140.9 | 72% | 0.715 | 78% | 0.784 | S | S | * | * | cis | -172.1 | 156.6 | 23 | -136.7 | 173.3 | -135.5 | 0 | 0 | 110.1 | ||||
| 227 | Q | 33.6 | Very low | 33.4 | Very low | 174 Ų | 174 | 140.2 Ų | 140.2 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | trans | 98.3 | 104.9 | 155.6 | -64.2 | 170.2 | 22.2 | 0 | 0 | 120.7 | ||||
| 228 | L | 35.7 | Very low | 33.2 | Very low | 160 Ų | 160 | 139.7 Ų | 139.7 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | trans | -71.6 | 161.9 | 167.5 | -63.6 | 171.3 | 0 | 0 | 0 | 112.5 | ||||
| 229 | P | 37 | Very low | 33.1 | Very low | 126 Ų | 126 | 135 Ų | 135 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | -142.1 | 130.6 | 80.9 | 27.8 | -5.9 | 0 | 0 | 0 | 116.7 | |||||
| 230 | E | 34.2 | Very low | 33.3 | Very low | 164 Ų | 164 | 139.5 Ų | 139.5 | 77% | 0.766 | 78% | 0.778 | S | S | * | * | trans | 9.7 | 120.8 | 134.7 | -165.3 | 149.7 | -157 | 0 | 0 | 120.5 | ||||
| 231 | L | 28 | Very low | 33.7 | Very low | 164 Ų | 164 | 137.2 Ų | 137.2 | 86% | 0.859 | 76% | 0.763 | S | S | * | * | trans | -157.6 | 102.4 | 136 | -85.7 | -169.4 | 0 | 0 | 0 | 111.1 | ||||
| 232 | E | 28.5 | Very low | 34.1 | Very low | 156 Ų | 156 | 139.6 Ų | 139.6 | 73% | 0.729 | 77% | 0.766 | S | S | * | * | trans | 32.6 | 99.4 | 145.7 | -57.6 | -171.7 | 164.5 | 0 | 0 | 119.8 | H234 | E232-H234 PolarHBondContact O-N 2.8Š| ||
| 233 | A | 29.5 | Very low | 34.7 | Very low | 106 Ų | 106 | 140.3 Ų | 140.3 | 88% | 0.876 | 77% | 0.769 | S | S | * | * | trans | -76.2 | 99.9 | 156 | 0 | 0 | 0 | 0 | 0 | 109.8 | G235 | A233-G235 PolarHBondContact O-N 3.5Š| ||
| 234 | H | 27.8 | Very low | 35.2 | Very low | 163 Ų | 163 | 141 Ų | 141 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | -61 | 103.1 | 161.1 | -97 | -69.8 | 0 | 0 | 0 | 109.8 | E232 V236 | E232-H234 PolarHBondContact O-N 2.8Å; H234-V236 PolarHBondContact O-N 3Å | ||
| 235 | G | 33.7 | Very low | 36.1 | Very low | 74 Ų | 74 | 137.1 Ų | 137.1 | 76% | 0.763 | 75% | 0.747 | S | S | * | * | trans | -66.5 | 95.8 | 159.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | A233 S237 | A233-G235 PolarHBondContact O-N 3.5Å; G235-S237 PolarHBondContact O-N 3.1Å | ||
| 236 | V | 25.1 | Very low | 36 | Very low | 117 Ų | 117 | 136.3 Ų | 136.3 | 71% | 0.709 | 74% | 0.74 | S | S | * | * | trans | -86.2 | 92.3 | 160.5 | 179.7 | 0 | 0 | 0 | 0 | 106.9 | H234 E238 | H234-V236 PolarHBondContact O-N 3Å; V236-E238 PolarHBondContact O-N 2.83Å | ||
| 237 | S | 37.4 | Very low | 37.5 | Very low | 112 Ų | 112 | 131.3 Ų | 131.3 | 78% | 0.783 | 73% | 0.725 | S | S | * | * | trans | -45.7 | 101.5 | 154.9 | 178 | 0 | 0 | 0 | 0 | 108.8 | G235 S239 | G235-S237 PolarHBondContact O-N 3.1Å; S237-S239 PolarHBondContact O-N 3.02Å | ||
| 238 | E | 31.1 | Very low | 39 | Very low | 181 Ų | 181 | 128.4 Ų | 128.4 | 85% | 0.846 | 71% | 0.711 | S | S | * | * | trans | -66.6 | 105.6 | 172.8 | -71.1 | -156.7 | 144.5 | 0 | 0 | 108.7 | V236 | V236-E238 PolarHBondContact O-N 2.83Š| ||
| 239 | S | 32.5 | Very low | 40.5 | Very low | 100 Ų | 100 | 127 Ų | 127 | 70% | 0.699 | 70% | 0.7 | S | S | * | * | trans | -50 | 136.2 | -178.8 | 59.2 | 0 | 0 | 0 | 0 | 114.1 | S237 G241 | S237-S239 PolarHBondContact O-N 3.02Å; S239-G241 PolarHBondContact O-N 2.93Å | ||
| 240 | E | 40 | Very low | 42.1 | Very low | 191 Ų | 191 | 126.9 Ų | 126.9 | 89% | 0.893 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -62.1 | 55.9 | 157.1 | -58.8 | -160.1 | 153 | 0 | 0 | 112.5 | ||
| 241 | G | 40.4 | Very low | 44.5 | Very low | 43 Ų | 43 | 123.5 Ų | 123.5 | 44% | 0.443 | 68% | 0.675 | S | S | . | * | trans | -101.9 | -12.9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | S239 | S239-G241 PolarHBondContact O-N 2.93Š| ||
| 242 | E | 41.8 | Very low | 47.2 | Very low | 169 Ų | 169 | 120.9 Ų | 120.9 | 79% | 0.79 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -104.3 | -8.4 | -171.4 | -77.6 | -160.4 | 151.3 | 0 | 0 | 115.6 | P245 | E242-P245 WeakPolarHBondContact O-CD 3.41Š|
| 243 | E | 46 | Very low | 49.6 | Very low | 175 Ų | 175 | 119 Ų | 119 | 82% | 0.818 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -85.4 | -27.5 | 177.7 | -61.8 | -157.6 | 153.9 | 0 | 0 | 113.6 | ||
| 244 | R | 44.3 | Very low | 52.3 | Low | 185 Ų | 185 | 121.3 Ų | 121.3 | 70% | 0.698 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -65 | -43.2 | 177.9 | -69.8 | -172.5 | 179.4 | -168.7 | 0.7 | 115.7 | V246 A247 E248 | R244-V246 VanDerWaalsContact C-N 3.29Å; R244-V246 PolarHBondContact O-N 3.22Å; R244-A247 PolarHBondContact O-N 3Å; R244-E248 WeakPolarHBondContact O-CG 3.48Å; R244-E248 PolarHBondContact O-N 3.19Å |
| 245 | P | 50.2 | Low | 55.3 | Low | 58 Ų | 58 | 117.4 Ų | 117.4 | 38% | 0.377 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -68.6 | -26.5 | -175.2 | 25.8 | -34.5 | 0 | 0 | 0 | 113.3 | E242 E249 | E242-P245 WeakPolarHBondContact O-CD 3.41Å; P245-E249 WeakPolarHBondContact O-CB 3.47Å; P245-E249 VanDerWaalsContact O-CG 3.23Å; P245-E249 WeakPolarHBondContact O-CG 3.28Å; P245-E249 PolarHBondContact O-N 3Å; P245-E249 VanDerWaalsContact O-N 3.08Å |
| 246 | V | 46.5 | Very low | 57.9 | Low | 92 Ų | 92 | 119.9 Ų | 119.9 | 56% | 0.558 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -77.8 | -37.5 | 179.3 | -176.8 | 0 | 0 | 0 | 0 | 111.2 | R244 E250 | R244-V246 VanDerWaalsContact C-N 3.29Å; R244-V246 PolarHBondContact O-N 3.22Å; V246-E250 WeakPolarHBondContact O-CB 3.44Å; V246-E250 PolarHBondContact O-N 2.68Å |
| 247 | A | 65 | Low | 60.7 | Low | 48 Ų | 48 | 120.9 Ų | 120.9 | 40% | 0.397 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -67.7 | -42.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | R244 E250 I251 | R244-A247 PolarHBondContact O-N 3Å; A247-E250 PolarHBondContact O-N 3.47Å; A247-I251 WeakPolarHBondContact O-CD1 3.33Å; A247-I251 WeakPolarHBondContact O-CG1 3.37Å; A247-I251 PolarHBondContact O-N 2.89Å |
| 248 | E | 64.6 | Low | 63.1 | Low | 113 Ų | 113 | 120.5 Ų | 120.5 | 53% | 0.528 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.9 | -40.9 | 175.8 | -70.9 | 172.9 | -163.3 | 0 | 0 | 112 | R244 E250 I251 L252 | R244-E248 WeakPolarHBondContact O-CG 3.48Å; R244-E248 PolarHBondContact O-N 3.19Å; E248-E250 VanDerWaalsContact C-N 3.34Å; E248-E250 PolarHBondContact O-N 3.31Å; E248-I251 PolarHBondContact O-N 3.42Å; E248-L252 WeakPolarHBondContact O-CB 3.47Å; E248-L252 VanDerWaalsContact O-CG 3.23Å; E248-L252 WeakPolarHBondContact O-CG 3.49Å; E248-L252 PolarHBondContact O-N 2.85Å |
| 249 | E | 66.8 | Low | 65.7 | Low | 129 Ų | 129 | 119.3 Ų | 119.3 | 60% | 0.603 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -64.6 | -35.9 | 174.2 | -77.2 | -178.4 | -178.1 | 0 | 0 | 112.6 | P245 L253 | P245-E249 WeakPolarHBondContact O-CB 3.47Å; P245-E249 VanDerWaalsContact O-CG 3.23Å; P245-E249 WeakPolarHBondContact O-CG 3.28Å; P245-E249 PolarHBondContact O-N 3Å; P245-E249 VanDerWaalsContact O-N 3.08Å; E249-L253 VanDerWaalsContact O-CG 3.28Å; E249-L253 WeakPolarHBondContact O-CG 3.27Å; E249-L253 PolarHBondContact O-N 3.39Å |
| 250 | E | 71.3 | Confident | 68.2 | Low | 124 Ų | 124 | 123 Ų | 123 | 58% | 0.579 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -71.6 | -36.6 | 177 | -166.3 | 169.7 | -176.4 | 0 | 0 | 112.2 | V246 A247 E248 L253 R254 | V246-E250 WeakPolarHBondContact O-CB 3.44Å; V246-E250 PolarHBondContact O-N 2.68Å; A247-E250 PolarHBondContact O-N 3.47Å; E248-E250 VanDerWaalsContact C-N 3.34Å; E248-E250 PolarHBondContact O-N 3.31Å; E250-L253 PolarHBondContact O-N 2.9Å; E250-R254 WeakPolarHBondContact O-CB 3.29Å; E250-R254 PolarHBondContact O-N 3.48Å; E250-R254 VanDerWaalsContact O-N 3.09Å |
| 251 | I | 84.2 | Confident | 70.2 | Confident | 93 Ų | 93 | 117 Ų | 117 | 48% | 0.477 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.1 | -45.3 | 172.7 | -66.1 | 160.4 | 0 | 0 | 0 | 110.3 | A247 E248 L253 R254 E255 | A247-I251 WeakPolarHBondContact O-CD1 3.33Å; A247-I251 WeakPolarHBondContact O-CG1 3.37Å; A247-I251 PolarHBondContact O-N 2.89Å; E248-I251 PolarHBondContact O-N 3.42Å; I251-L253 VanDerWaalsContact C-N 3.33Å; I251-L253 PolarHBondContact O-N 3.18Å; I251-R254 WeakPolarHBondContact O-CB 3.39Å; I251-R254 PolarHBondContact O-N 2.84Å; I251-E255 WeakPolarHBondContact O-CG 3.41Å; I251-E255 PolarHBondContact O-N 3.19Å |
| 252 | L | 83.7 | Confident | 72.1 | Confident | 110 Ų | 110 | 120.1 Ų | 120.1 | 58% | 0.576 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64 | -35.7 | 178.4 | -72 | 171.9 | 0 | 0 | 0 | 113 | E248 F256 | E248-L252 WeakPolarHBondContact O-CB 3.47Å; E248-L252 VanDerWaalsContact O-CG 3.23Å; E248-L252 WeakPolarHBondContact O-CG 3.49Å; E248-L252 PolarHBondContact O-N 2.85Å; L252-F256 WeakPolarHBondContact O-CB 3.48Å; L252-F256 PolarHBondContact O-N 3.41Å |
| 253 | L | 79.6 | Confident | 74 | Confident | 115 Ų | 115 | 118.3 Ų | 118.3 | 60% | 0.602 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68 | -40.6 | 174.7 | -74.9 | 168.7 | 0 | 0 | 0 | 111.7 | E249 E250 I251 F256 E257 | E249-L253 VanDerWaalsContact O-CG 3.28Å; E249-L253 WeakPolarHBondContact O-CG 3.27Å; E249-L253 PolarHBondContact O-N 3.39Å; E250-L253 PolarHBondContact O-N 2.9Å; I251-L253 VanDerWaalsContact C-N 3.33Å; I251-L253 PolarHBondContact O-N 3.18Å; L253-F256 PolarHBondContact O-N 3.38Å; L253-E257 WeakPolarHBondContact O-CG 3.31Å; L253-E257 PolarHBondContact O-N 3.5Å |
| 254 | R | 87.2 | Confident | 75.6 | Confident | 156 Ų | 156 | 117 Ų | 117 | 59% | 0.589 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.6 | -45.9 | 175.2 | -174.6 | 179 | -68 | -96 | -0.2 | 111.7 | E250 I251 F256 E257 E258 | E250-R254 WeakPolarHBondContact O-CB 3.29Å; E250-R254 PolarHBondContact O-N 3.48Å; E250-R254 VanDerWaalsContact O-N 3.09Å; I251-R254 WeakPolarHBondContact O-CB 3.39Å; I251-R254 PolarHBondContact O-N 2.84Å; R254-F256 VanDerWaalsContact C-N 3.29Å; R254-F256 PolarHBondContact O-N 2.96Å; R254-E257 PolarHBondContact O-N 2.95Å; R254-E258 WeakPolarHBondContact O-CG 3.45Å; R254-E258 PolarHBondContact O-N 3.28Å |
| 255 | E | 89.7 | Confident | 77 | Confident | 81 Ų | 81 | 117.7 Ų | 117.7 | 38% | 0.379 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61 | -37 | 175.4 | -74.5 | -175.8 | -177.2 | 0 | 0 | 112.5 | I251 E258 R259 | I251-E255 WeakPolarHBondContact O-CG 3.41Å; I251-E255 PolarHBondContact O-N 3.19Å; E255-E258 PolarHBondContact O-N 2.94Å; E255-R259 WeakPolarHBondContact O-CB 3.49Å; E255-R259 VanDerWaalsContact O-CG 3.28Å; E255-R259 WeakPolarHBondContact O-CG 3.46Å; E255-R259 PolarHBondContact O-N 3.27Å |
| 256 | F | 88.4 | Confident | 77.9 | Confident | 126 Ų | 126 | 117.3 Ų | 117.3 | 55% | 0.553 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -68.4 | -39.7 | 177.6 | -171.6 | -96.3 | 0 | 0 | 0 | 112.1 | L252 L253 R254 R259 R260 | L252-F256 WeakPolarHBondContact O-CB 3.48Å; L252-F256 PolarHBondContact O-N 3.41Å; L253-F256 PolarHBondContact O-N 3.38Å; R254-F256 VanDerWaalsContact C-N 3.29Å; R254-F256 PolarHBondContact O-N 2.96Å; F256-R259 PolarHBondContact O-N 2.98Å; F256-R260 PolarHBondContact O-N 2.94Å |
| 257 | E | 83.6 | Confident | 79 | Confident | 138 Ų | 138 | 118.3 Ų | 118.3 | 65% | 0.645 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -65.8 | -41.6 | 174.1 | -74.7 | 179.1 | 173.8 | 0 | 0 | 111.7 | L253 R254 R260 S261 | L253-E257 WeakPolarHBondContact O-CG 3.31Å; L253-E257 PolarHBondContact O-N 3.5Å; R254-E257 PolarHBondContact O-N 2.95Å; E257-R260 WeakPolarHBondContact O-CB 3.35Å; E257-R260 PolarHBondContact O-N 3.47Å; E257-R260 VanDerWaalsContact O-N 3.16Å; E257-S261 PolarHBondContact O-N 3.43Å |
| 258 | E | 88.6 | Confident | 78.8 | Confident | 103 Ų | 103 | 122.1 Ų | 122.1 | 48% | 0.481 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61 | -47.2 | 173.9 | -75.3 | 174.8 | -170.9 | 0 | 0 | 111.4 | R254 E255 R260 S261 L262 | R254-E258 WeakPolarHBondContact O-CG 3.45Å; R254-E258 PolarHBondContact O-N 3.28Å; E255-E258 PolarHBondContact O-N 2.94Å; E258-R260 PolarHBondContact O-N 2.86Å; E258-S261 WeakPolarHBondContact O-CB 3.25Å; E258-S261 PolarHBondContact O-N 3.43Å; E258-S261 VanDerWaalsContact O-N 3.08Å; E258-S261 PolarHBondContact O-OG 2.9Å; E258-L262 WeakPolarHBondContact O-CG 3.36Å; E258-L262 PolarHBondContact O-N 3.42Å |
| 259 | R | 86.1 | Confident | 78.5 | Confident | 156 Ų | 156 | 120.6 Ų | 120.6 | 59% | 0.589 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62 | -28.4 | 175.1 | -73.7 | 177.1 | -177.5 | -176.9 | 4.9 | 113.3 | E255 F256 R263 | E255-R259 WeakPolarHBondContact O-CB 3.49Å; E255-R259 VanDerWaalsContact O-CG 3.28Å; E255-R259 WeakPolarHBondContact O-CG 3.46Å; E255-R259 PolarHBondContact O-N 3.27Å; F256-R259 PolarHBondContact O-N 2.98Å; R259-R263 PolarHBondContact O-N 3.25Å; R259-R263 PolarHBondContact O-NE 3.43Å |
| 260 | R | 84.4 | Confident | 78 | Confident | 177 Ų | 177 | 122 Ų | 122 | 67% | 0.668 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -76.3 | -39.7 | 173.8 | -168.3 | -178.5 | -172.8 | 144.5 | 3.6 | 111.3 | F256 E257 E258 L262 R263 K264 | F256-R260 PolarHBondContact O-N 2.94Å; E257-R260 WeakPolarHBondContact O-CB 3.35Å; E257-R260 PolarHBondContact O-N 3.47Å; E257-R260 VanDerWaalsContact O-N 3.16Å; E258-R260 PolarHBondContact O-N 2.86Å; R260-L262 VanDerWaalsContact C-N 3.34Å; R260-R263 PolarHBondContact O-N 3Å; R260-K264 PolarHBondContact O-N 2.86Å; R260-K264 VanDerWaalsContact O-N 3.07Å |
| 261 | S | 81.3 | Confident | 76.9 | Confident | 67 Ų | 67 | 122.8 Ų | 122.8 | 47% | 0.469 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.8 | -39.8 | 176.3 | 79.6 | 0 | 0 | 0 | 0 | 112 | E257 E258 K264 R265 | E257-S261 PolarHBondContact O-N 3.43Å; E258-S261 WeakPolarHBondContact O-CB 3.25Å; E258-S261 PolarHBondContact O-N 3.43Å; E258-S261 VanDerWaalsContact O-N 3.08Å; E258-S261 PolarHBondContact O-OG 2.9Å; S261-K264 PolarHBondContact O-N 3.13Å; S261-R265 WeakPolarHBondContact O-CB 3.47Å; S261-R265 PolarHBondContact O-N 3.36Å |
| 262 | L | 80.9 | Confident | 75 | Confident | 107 Ų | 107 | 121.6 Ų | 121.6 | 56% | 0.56 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64.3 | -42.6 | 177.2 | -72 | 172.6 | 0 | 0 | 0 | 111.8 | E258 R260 K264 R265 S266 | E258-L262 WeakPolarHBondContact O-CG 3.36Å; E258-L262 PolarHBondContact O-N 3.42Å; R260-L262 VanDerWaalsContact C-N 3.34Å; L262-K264 VanDerWaalsContact C-N 3.35Å; L262-R265 PolarHBondContact O-N 2.91Å; L262-S266 WeakPolarHBondContact O-CB 3.22Å; L262-S266 PolarHBondContact O-N 2.93Å; L262-S266 PolarHBondContact O-OG 3.16Å |
| 263 | R | 82.1 | Confident | 73 | Confident | 132 Ų | 132 | 124.8 Ų | 124.8 | 50% | 0.498 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -61.3 | -43.3 | 173.6 | -80.7 | 178.1 | -86 | -138.8 | 3.9 | 112.2 | R259 R260 R265 S266 E267 | R259-R263 PolarHBondContact O-N 3.25Å; R259-R263 PolarHBondContact O-NE 3.43Å; R260-R263 PolarHBondContact O-N 3Å; R263-R265 VanDerWaalsContact C-N 3.31Å; R263-R265 PolarHBondContact O-N 3.43Å; R263-S266 WeakPolarHBondContact CA-OG 3.12Å; R263-S266 PolarHBondContact O-N 3.33Å; R263-S266 PolarHBondContact O-OG 2.92Å; R263-E267 WeakPolarHBondContact O-CB 3.45Å; R263-E267 VanDerWaalsContact O-CG 3.24Å; R263-E267 WeakPolarHBondContact O-CG 3.3Å; R263-E267 PolarHBondContact O-N 2.95Å |
| 264 | K | 78.6 | Confident | 71.3 | Confident | 147 Ų | 147 | 125.1 Ų | 125.1 | 64% | 0.639 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64.8 | -36.2 | 176.9 | -162.6 | 179.1 | -177.8 | -171.1 | 0 | 112.1 | R260 S261 L262 L268 | R260-K264 PolarHBondContact O-N 2.86Å; R260-K264 VanDerWaalsContact O-N 3.07Å; S261-K264 PolarHBondContact O-N 3.13Å; L262-K264 VanDerWaalsContact C-N 3.35Å; K264-L268 WeakPolarHBondContact O-CB 3.03Å; K264-L268 PolarHBondContact O-N 3.19Å; K264-L268 VanDerWaalsContact O-N 3.13Å |
| 265 | R | 75.1 | Confident | 68.9 | Low | 200 Ų | 200 | 122.3 Ų | 122.3 | 76% | 0.755 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -72.9 | -37 | 176.6 | -166.7 | 173.7 | -176.9 | 175.7 | -0.1 | 111.9 | S261 L262 R263 L268 S269 | S261-R265 WeakPolarHBondContact O-CB 3.47Å; S261-R265 PolarHBondContact O-N 3.36Å; L262-R265 PolarHBondContact O-N 2.91Å; R263-R265 VanDerWaalsContact C-N 3.31Å; R263-R265 PolarHBondContact O-N 3.43Å; R265-L268 PolarHBondContact O-N 3.1Å; R265-S269 PolarHBondContact O-N 3.34Å; R265-S269 PolarHBondContact O-OG 2.86Å |
| 266 | S | 68.4 | Low | 66.5 | Low | 50 Ų | 50 | 121.8 Ų | 121.8 | 35% | 0.35 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -69.3 | -38.2 | 175.3 | 61.9 | 0 | 0 | 0 | 0 | 112.5 | L262 R263 L268 S269 Q270 | L262-S266 WeakPolarHBondContact O-CB 3.22Å; L262-S266 PolarHBondContact O-N 2.93Å; L262-S266 PolarHBondContact O-OG 3.16Å; R263-S266 WeakPolarHBondContact CA-OG 3.12Å; R263-S266 PolarHBondContact O-N 3.33Å; R263-S266 PolarHBondContact O-OG 2.92Å; S266-L268 VanDerWaalsContact C-N 3.35Å; S266-S269 VanDerWaalsContact CA-OG 3.27Å; S266-S269 WeakPolarHBondContact CA-OG 3.27Å; S266-S269 PolarHBondContact O-N 2.79Å; S266-S269 PolarHBondContact O-OG 3.14Å; S266-Q270 WeakPolarHBondContact O-CG 3.31Å; S266-Q270 PolarHBondContact O-N 3.24Å; S266-Q270 VanDerWaalsContact O-N 3.07Å |
| 267 | E | 68.5 | Low | 64 | Low | 112 Ų | 112 | 121.3 Ų | 121.3 | 52% | 0.523 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -61.5 | -44.8 | 172 | -73.4 | 166.5 | -170.1 | 0 | 0 | 110.2 | R263 S269 Q270 D271 | R263-E267 WeakPolarHBondContact O-CB 3.45Å; R263-E267 VanDerWaalsContact O-CG 3.24Å; R263-E267 WeakPolarHBondContact O-CG 3.3Å; R263-E267 PolarHBondContact O-N 2.95Å; E267-S269 VanDerWaalsContact C-N 3.28Å; E267-S269 PolarHBondContact O-N 2.94Å; E267-Q270 PolarHBondContact O-N 3.05Å; E267-D271 PolarHBondContact O-N 3.43Å |
| 268 | L | 61.2 | Low | 62.2 | Low | 128 Ų | 128 | 123.5 Ų | 123.5 | 67% | 0.67 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -63.8 | -30.5 | 177.1 | -139.3 | 112 | 0 | 0 | 0 | 113.8 | K264 R265 S266 | K264-L268 WeakPolarHBondContact O-CB 3.03Å; K264-L268 PolarHBondContact O-N 3.19Å; K264-L268 VanDerWaalsContact O-N 3.13Å; R265-L268 PolarHBondContact O-N 3.1Å; S266-L268 VanDerWaalsContact C-N 3.35Å |
| 269 | S | 58 | Low | 59.9 | Low | 82 Ų | 82 | 126.5 Ų | 126.5 | 57% | 0.573 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -80.5 | -18 | 174.3 | 56.2 | 0 | 0 | 0 | 0 | 113.9 | R265 S266 E267 | R265-S269 PolarHBondContact O-N 3.34Å; R265-S269 PolarHBondContact O-OG 2.86Å; S266-S269 VanDerWaalsContact CA-OG 3.27Å; S266-S269 WeakPolarHBondContact CA-OG 3.27Å; S266-S269 PolarHBondContact O-N 2.79Å; S266-S269 PolarHBondContact O-OG 3.14Å; E267-S269 VanDerWaalsContact C-N 3.28Å; E267-S269 PolarHBondContact O-N 2.94Å |
| 270 | Q | 56.4 | Low | 57.8 | Low | 157 Ų | 157 | 124.7 Ų | 124.7 | 73% | 0.734 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -86.8 | -23.9 | 174 | -73.2 | 178.1 | 8.5 | 0 | 0 | 112 | S266 E267 A272 | S266-Q270 WeakPolarHBondContact O-CG 3.31Å; S266-Q270 PolarHBondContact O-N 3.24Å; S266-Q270 VanDerWaalsContact O-N 3.07Å; E267-Q270 PolarHBondContact O-N 3.05Å; Q270-A272 VanDerWaalsContact C-N 3.35Å |
| 271 | D | 49 | Very low | 56.2 | Low | 142 Ų | 142 | 123.5 Ų | 123.5 | 76% | 0.759 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -88.2 | 2.9 | 177.3 | -66.1 | -34.5 | 0 | 0 | 0 | 113.7 | E267 | E267-D271 PolarHBondContact O-N 3.43Š|
| 272 | A | 45.1 | Very low | 54.8 | Low | 67 Ų | 67 | 125.6 Ų | 125.6 | 55% | 0.554 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -98.1 | 103.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q270 | Q270-A272 VanDerWaalsContact C-N 3.35Š|
| 273 | E | 40.3 | Very low | 53.9 | Low | 178 Ų | 178 | 124.3 Ų | 124.3 | 83% | 0.832 | 68% | 0.675 | S | S | * | * | trans | -50.9 | 140.3 | 170.3 | -79.1 | -76.3 | 150 | 0 | 0 | 111.7 | A275 | E273-A275 PolarHBondContact O-N 3Š| ||
| 274 | P | 44.7 | Very low | 53.4 | Low | 121 Ų | 121 | 120 Ų | 120 | 79% | 0.786 | 67% | 0.673 | S | S | * | * | trans | -80.7 | 92.2 | -173.8 | 33.4 | -32.2 | 0 | 0 | 0 | 110.4 | ||||
| 275 | A | 36 | Very low | 52.7 | Low | 98 Ų | 98 | 116.4 Ų | 116.4 | 81% | 0.81 | 67% | 0.666 | S | S | * | * | trans | -81.1 | 124.7 | 159.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | E273 | E273-A275 PolarHBondContact O-N 3Š| ||
| 276 | G | 39.8 | Very low | 52.7 | Low | 70 Ų | 70 | 112.9 Ų | 112.9 | 72% | 0.722 | 66% | 0.658 | S | S | * | * | trans | -54.9 | 157 | -166.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 277 | S | 36.5 | Very low | 53.2 | Low | 115 Ų | 115 | 116.1 Ų | 116.1 | 80% | 0.804 | 67% | 0.668 | S | S | * | * | 172.2 | 131 | 128.4 | -70.7 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 278 | Q | 44.5 | Very low | 53.8 | Low | 184 Ų | 184 | 115.2 Ų | 115.2 | 86% | 0.86 | 67% | 0.669 | S | S | * | * | trans | 32.8 | 110.5 | 146.5 | -69 | 174.8 | -42.4 | 0 | 0 | 119.5 | T280 | Q278-T280 PolarHBondContact O-N 3.18Š| ||
| 279 | E | 41.6 | Very low | 54.7 | Low | 166 Ų | 166 | 114.2 Ų | 114.2 | 78% | 0.776 | 66% | 0.664 | S | S | * | * | trans | -64 | 112.4 | 164.1 | -63.3 | -176.6 | 166.6 | 0 | 0 | 111.3 | ||||
| 280 | T | 41.5 | Very low | 56 | Low | 118 Ų | 118 | 113.3 Ų | 113.3 | 72% | 0.724 | 66% | 0.658 | S | S | * | * | trans | -87.6 | 107.2 | 149.5 | 52.1 | 0 | 0 | 0 | 0 | 107.2 | Q278 D282 | Q278-T280 PolarHBondContact O-N 3.18Å; T280-D282 PolarHBondContact O-N 2.83Å | ||
| 281 | K | 51.4 | Low | 57.6 | Low | 152 Ų | 152 | 112 Ų | 112 | 66% | 0.661 | 65% | 0.651 | S | S | * | * | trans | -67.1 | 97.6 | 173.7 | -66.3 | -177.5 | 177.9 | 179.2 | 0 | 108.5 | S283 | K281-S283 PolarHBondContact O-N 3.1Š| ||
| 282 | D | 51.9 | Low | 59.5 | Low | 112 Ų | 112 | 110.7 Ų | 110.7 | 60% | 0.599 | 64% | 0.644 | S | S | * | * | trans | -68.7 | 96.4 | 168.3 | -72 | -30.6 | 0 | 0 | 0 | 108.2 | T280 G284 S285 | T280-D282 PolarHBondContact O-N 2.83Å; D282-G284 PolarHBondContact O-N 3.01Å; D282-S285 PolarHBondContact O-N 3.45Å; D282-S285 PolarHBondContact O-OG 3.37Å | ||
| 283 | S | 61.6 | Low | 61.8 | Low | 79 Ų | 79 | 116.3 Ų | 116.3 | 55% | 0.552 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -49.4 | -33.6 | -177.3 | -54.4 | 0 | 0 | 0 | 0 | 113 | K281 S285 Q286 E287 | K281-S283 PolarHBondContact O-N 3.1Å; S283-S285 PolarHBondContact O-N 2.85Å; S283-Q286 PolarHBondContact O-N 3.11Å; S283-E287 WeakPolarHBondContact O-CG 3.47Å; S283-E287 PolarHBondContact O-N 3.31Å |
| 284 | G | 72.1 | Confident | 64.4 | Low | 43 Ų | 43 | 112.3 Ų | 112.3 | 44% | 0.443 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -65.8 | -32.5 | 177 | 0 | 0 | 0 | 0 | 0 | 114.2 | D282 V288 | D282-G284 PolarHBondContact O-N 3.01Å; G284-V288 VanDerWaalsContact O-CG2 3.27Å; G284-V288 WeakPolarHBondContact O-CG2 3.47Å; G284-V288 PolarHBondContact O-N 3.14Å; G284-V288 VanDerWaalsContact O-N 3.12Å |
| 285 | S | 63.1 | Low | 66.6 | Low | 71 Ų | 71 | 111.5 Ų | 111.5 | 50% | 0.497 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -72.2 | -33.7 | 176.6 | 69.2 | 0 | 0 | 0 | 0 | 111.9 | D282 S283 L289 | D282-S285 PolarHBondContact O-N 3.45Å; D282-S285 PolarHBondContact O-OG 3.37Å; S283-S285 PolarHBondContact O-N 2.85Å; S285-L289 VanDerWaalsContact O-CG 3.25Å; S285-L289 WeakPolarHBondContact O-CG 3.26Å; S285-L289 PolarHBondContact O-N 3.11Å; S285-L289 VanDerWaalsContact O-N 3.16Å |
| 286 | Q | 76.1 | Confident | 69.1 | Low | 125 Ų | 125 | 109.7 Ų | 109.7 | 58% | 0.584 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -72.9 | -36.3 | 176.6 | -169.8 | 173.3 | -6.7 | 0 | 0 | 111.6 | S283 L289 S290 | S283-Q286 PolarHBondContact O-N 3.11Å; Q286-L289 PolarHBondContact O-N 3.42Å; Q286-S290 WeakPolarHBondContact O-CB 3.33Å; Q286-S290 PolarHBondContact O-N 2.87Å |
| 287 | E | 77.7 | Confident | 71.4 | Confident | 119 Ų | 119 | 112.2 Ų | 112.2 | 56% | 0.556 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -62.6 | -48.8 | 173.2 | -75.2 | 170.1 | -172.5 | 0 | 0 | 111.3 | S283 L289 S290 E291 | S283-E287 WeakPolarHBondContact O-CG 3.47Å; S283-E287 PolarHBondContact O-N 3.31Å; E287-L289 VanDerWaalsContact C-N 3.29Å; E287-L289 PolarHBondContact O-N 3.08Å; E287-S290 WeakPolarHBondContact CA-OG 3.48Å; E287-S290 WeakPolarHBondContact O-CA 3.39Å; E287-S290 WeakPolarHBondContact O-CB 2.86Å; E287-S290 PolarHBondContact O-N 2.99Å; E287-S290 PolarHBondContact O-OG 2.78Å; E287-E291 PolarHBondContact O-N 3.35Å |
| 288 | V | 80.9 | Confident | 73.9 | Confident | 92 Ų | 92 | 113 Ų | 113 | 56% | 0.558 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -60.1 | -39 | 177.3 | 173.7 | 0 | 0 | 0 | 0 | 111.9 | G284 S290 E291 L292 | G284-V288 VanDerWaalsContact O-CG2 3.27Å; G284-V288 WeakPolarHBondContact O-CG2 3.47Å; G284-V288 PolarHBondContact O-N 3.14Å; G284-V288 VanDerWaalsContact O-N 3.12Å; V288-S290 VanDerWaalsContact C-N 3.33Å; V288-E291 PolarHBondContact O-N 3.48Å; V288-L292 WeakPolarHBondContact O-CB 3.37Å; V288-L292 PolarHBondContact O-N 2.89Å |
| 289 | L | 81.4 | Confident | 75.8 | Confident | 108 Ų | 108 | 109.4 Ų | 109.4 | 57% | 0.565 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -68.9 | -32 | 175.7 | -70.7 | 172.8 | 0 | 0 | 0 | 112.7 | S285 Q286 E287 R293 | S285-L289 VanDerWaalsContact O-CG 3.25Å; S285-L289 WeakPolarHBondContact O-CG 3.26Å; S285-L289 PolarHBondContact O-N 3.11Å; S285-L289 VanDerWaalsContact O-N 3.16Å; Q286-L289 PolarHBondContact O-N 3.42Å; E287-L289 VanDerWaalsContact C-N 3.29Å; E287-L289 PolarHBondContact O-N 3.08Å; L289-R293 WeakPolarHBondContact O-CB 3.18Å; L289-R293 PolarHBondContact O-N 2.88Å; L289-R293 VanDerWaalsContact O-N 3.16Å |
| 290 | S | 84.7 | Confident | 77.8 | Confident | 62 Ų | 62 | 107.9 Ų | 107.9 | 43% | 0.434 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -71.3 | -40.5 | 175 | 74.1 | 0 | 0 | 0 | 0 | 111.8 | Q286 E287 V288 L292 R293 V294 | Q286-S290 WeakPolarHBondContact O-CB 3.33Å; Q286-S290 PolarHBondContact O-N 2.87Å; E287-S290 WeakPolarHBondContact CA-OG 3.48Å; E287-S290 WeakPolarHBondContact O-CA 3.39Å; E287-S290 WeakPolarHBondContact O-CB 2.86Å; E287-S290 PolarHBondContact O-N 2.99Å; E287-S290 PolarHBondContact O-OG 2.78Å; V288-S290 VanDerWaalsContact C-N 3.33Å; S290-L292 PolarHBondContact O-N 3.12Å; S290-R293 WeakPolarHBondContact O-CB 3.08Å; S290-R293 PolarHBondContact O-N 2.82Å; S290-V294 WeakPolarHBondContact O-CG2 3.36Å; S290-V294 PolarHBondContact O-N 3.33Å |
| 291 | E | 90.5 | Very high | 79.7 | Confident | 129 Ų | 129 | 108.1 Ų | 108.1 | 60% | 0.603 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.5 | -43.4 | 173.8 | -70.4 | -173.1 | 169.4 | 0 | 0 | 111.7 | E287 V288 R293 V294 L295 | E287-E291 PolarHBondContact O-N 3.35Å; V288-E291 PolarHBondContact O-N 3.48Å; E291-R293 VanDerWaalsContact C-N 3.26Å; E291-R293 PolarHBondContact O-N 3.28Å; E291-V294 PolarHBondContact O-N 2.91Å; E291-L295 WeakPolarHBondContact O-CG 3.4Å; E291-L295 PolarHBondContact O-N 3.18Å |
| 292 | L | 88.8 | Confident | 80.9 | Confident | 115 Ų | 115 | 105.1 Ų | 105.1 | 60% | 0.602 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -60.9 | -37.1 | 176.4 | -160 | 89.3 | 0 | 0 | 0 | 111.8 | V288 S290 S296 | V288-L292 WeakPolarHBondContact O-CB 3.37Å; V288-L292 PolarHBondContact O-N 2.89Å; S290-L292 PolarHBondContact O-N 3.12Å; L292-S296 WeakPolarHBondContact O-CB 3.19Å; L292-S296 PolarHBondContact O-N 3.38Å |
| 293 | R | 93 | Very high | 81.9 | Confident | 186 Ų | 186 | 105.4 Ų | 105.4 | 70% | 0.702 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -68.6 | -41.9 | 178 | -168.4 | 176.2 | -65.8 | 178.4 | 0.3 | 111.6 | L289 S290 E291 S296 Q297 | L289-R293 WeakPolarHBondContact O-CB 3.18Å; L289-R293 PolarHBondContact O-N 2.88Å; L289-R293 VanDerWaalsContact O-N 3.16Å; S290-R293 WeakPolarHBondContact O-CB 3.08Å; S290-R293 PolarHBondContact O-N 2.82Å; E291-R293 VanDerWaalsContact C-N 3.26Å; E291-R293 PolarHBondContact O-N 3.28Å; R293-S296 PolarHBondContact O-N 2.93Å; R293-Q297 PolarHBondContact O-N 3.05Å |
| 294 | V | 93.7 | Very high | 82.4 | Confident | 93 Ų | 93 | 107.7 Ų | 107.7 | 56% | 0.564 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.6 | -44.3 | 175.7 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | S290 E291 S296 Q297 K298 | S290-V294 WeakPolarHBondContact O-CG2 3.36Å; S290-V294 PolarHBondContact O-N 3.33Å; E291-V294 PolarHBondContact O-N 2.91Å; V294-S296 VanDerWaalsContact C-N 3.33Å; V294-S296 PolarHBondContact O-N 2.93Å; V294-Q297 PolarHBondContact O-N 3.49Å; V294-K298 PolarHBondContact O-N 3.22Å |
| 295 | L | 91.7 | Very high | 82.3 | Confident | 105 Ų | 105 | 108.2 Ų | 108.2 | 55% | 0.55 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.5 | -41.1 | 176.3 | -70.5 | 176.2 | 0 | 0 | 0 | 112.1 | E291 Q297 K298 L299 | E291-L295 WeakPolarHBondContact O-CG 3.4Å; E291-L295 PolarHBondContact O-N 3.18Å; L295-Q297 VanDerWaalsContact C-N 3.34Å; L295-Q297 PolarHBondContact O-N 3.25Å; L295-K298 PolarHBondContact O-N 2.78Å; L295-L299 WeakPolarHBondContact O-CG 3.5Å; L295-L299 PolarHBondContact O-N 2.99Å |
| 296 | S | 88.1 | Confident | 82.5 | Confident | 59 Ų | 59 | 113.8 Ų | 113.8 | 41% | 0.413 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.5 | -40.3 | 175.8 | -174.6 | 0 | 0 | 0 | 0 | 112.4 | L292 R293 V294 L299 K300 | L292-S296 WeakPolarHBondContact O-CB 3.19Å; L292-S296 PolarHBondContact O-N 3.38Å; R293-S296 PolarHBondContact O-N 2.93Å; V294-S296 VanDerWaalsContact C-N 3.33Å; V294-S296 PolarHBondContact O-N 2.93Å; S296-L299 PolarHBondContact O-N 3.4Å; S296-K300 PolarHBondContact O-N 3.13Å |
| 297 | Q | 88.9 | Confident | 82 | Confident | 123 Ų | 123 | 115.7 Ų | 115.7 | 58% | 0.575 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65 | -44.3 | 176.4 | -119.9 | 169.1 | -0.3 | 0 | 0 | 111.7 | R293 V294 L295 L299 K300 E301 | R293-Q297 PolarHBondContact O-N 3.05Å; V294-Q297 PolarHBondContact O-N 3.49Å; L295-Q297 VanDerWaalsContact C-N 3.34Å; L295-Q297 PolarHBondContact O-N 3.25Å; Q297-L299 VanDerWaalsContact C-N 3.3Å; Q297-L299 PolarHBondContact O-N 3.22Å; Q297-K300 WeakPolarHBondContact O-CB 3.29Å; Q297-K300 PolarHBondContact O-N 3.1Å; Q297-E301 PolarHBondContact O-N 3.2Å |
| 298 | K | 89.6 | Confident | 81.4 | Confident | 133 Ų | 133 | 116.6 Ų | 116.6 | 58% | 0.578 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.3 | -37.1 | 177.7 | -161 | 172.4 | -173.9 | 175.3 | 0 | 112.5 | V294 L295 N302 | V294-K298 PolarHBondContact O-N 3.22Å; L295-K298 PolarHBondContact O-N 2.78Å; K298-N302 WeakPolarHBondContact O-CB 3.47Å; K298-N302 PolarHBondContact O-N 3.09Å; K298-N302 PolarHBondContact O-ND2 2.93Å |
| 299 | L | 83.4 | Confident | 80.5 | Confident | 108 Ų | 108 | 119 Ų | 119 | 57% | 0.565 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.1 | -37.2 | 173.8 | -71.9 | 174.2 | 0 | 0 | 0 | 112.6 | L295 S296 Q297 H303 | L295-L299 WeakPolarHBondContact O-CG 3.5Å; L295-L299 PolarHBondContact O-N 2.99Å; S296-L299 PolarHBondContact O-N 3.4Å; Q297-L299 VanDerWaalsContact C-N 3.3Å; Q297-L299 PolarHBondContact O-N 3.22Å; L299-H303 PolarHBondContact O-CD2 3.04Å; L299-H303 VanDerWaalsContact O-CD2 3.31Å; L299-H303 PolarHBondContact O-N 3.46Å; L299-H303 VanDerWaalsContact O-N 3.12Å |
| 300 | K | 84 | Confident | 79.4 | Confident | 133 Ų | 133 | 117.1 Ų | 117.1 | 58% | 0.578 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67 | -42 | 175.5 | -73.1 | -179.5 | -179.6 | 179.5 | 0 | 112.1 | S296 Q297 H303 Q304 | S296-K300 PolarHBondContact O-N 3.13Å; Q297-K300 WeakPolarHBondContact O-CB 3.29Å; Q297-K300 PolarHBondContact O-N 3.1Å; K300-H303 PolarHBondContact O-N 3.33Å; K300-Q304 WeakPolarHBondContact O-CG 3.5Å; K300-Q304 PolarHBondContact O-N 3.04Å |
| 301 | E | 81.4 | Confident | 78.2 | Confident | 123 Ų | 123 | 118.1 Ų | 118.1 | 58% | 0.575 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -63.4 | -42.6 | 175.6 | -73.7 | 178.1 | 172.3 | 0 | 0 | 112 | Q297 H303 Q304 S305 | Q297-E301 PolarHBondContact O-N 3.2Å; E301-H303 VanDerWaalsContact C-N 3.28Å; E301-H303 PolarHBondContact O-N 3.29Å; E301-Q304 PolarHBondContact O-N 3.39Å; E301-Q304 VanDerWaalsContact O-N 3.08Å; E301-S305 PolarHBondContact O-N 3.29Å; E301-S305 PolarHBondContact O-OG 3.47Å |
| 302 | N | 76.6 | Confident | 76.7 | Confident | 89 Ų | 89 | 115.9 Ų | 115.9 | 48% | 0.476 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.5 | -34.8 | 174.9 | -77.7 | -37.7 | 0 | 0 | 0 | 112.9 | K298 S305 R306 | K298-N302 WeakPolarHBondContact O-CB 3.47Å; K298-N302 PolarHBondContact O-N 3.09Å; K298-N302 PolarHBondContact O-ND2 2.93Å; N302-S305 PolarHBondContact O-OG 3.42Å; N302-R306 VanDerWaalsContact O-CB 3.26Å; N302-R306 WeakPolarHBondContact O-CB 3.47Å; N302-R306 PolarHBondContact O-N 3.09Å; N302-R306 VanDerWaalsContact O-N 3.1Å |
| 303 | H | 72.1 | Confident | 75.3 | Confident | 118 Ų | 118 | 118.4 Ų | 118.4 | 55% | 0.546 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -72 | -31.5 | 173.7 | -78.1 | -42.9 | 0 | 0 | 0 | 113.1 | L299 K300 E301 K307 | L299-H303 PolarHBondContact O-CD2 3.04Å; L299-H303 VanDerWaalsContact O-CD2 3.31Å; L299-H303 PolarHBondContact O-N 3.46Å; L299-H303 VanDerWaalsContact O-N 3.12Å; K300-H303 PolarHBondContact O-N 3.33Å; E301-H303 VanDerWaalsContact C-N 3.28Å; E301-H303 PolarHBondContact O-N 3.29Å; H303-K307 WeakPolarHBondContact O-CG 3.46Å; H303-K307 PolarHBondContact O-N 3.27Å |
| 304 | Q | 73.3 | Confident | 73.5 | Confident | 128 Ų | 128 | 112.4 Ų | 112.4 | 60% | 0.598 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -73.6 | -43.6 | 175.8 | -70.4 | 179.6 | 5.7 | 0 | 0 | 111.9 | K300 E301 R306 K307 Q308 | K300-Q304 WeakPolarHBondContact O-CG 3.5Å; K300-Q304 PolarHBondContact O-N 3.04Å; E301-Q304 PolarHBondContact O-N 3.39Å; E301-Q304 VanDerWaalsContact O-N 3.08Å; Q304-R306 PolarHBondContact O-N 2.89Å; Q304-K307 PolarHBondContact O-N 3.46Å; Q304-Q308 PolarHBondContact O-N 3.47Å |
| 305 | S | 68.8 | Low | 71.5 | Confident | 53 Ų | 53 | 113.5 Ų | 113.5 | 37% | 0.371 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66 | -37.5 | 176.8 | 64.5 | 0 | 0 | 0 | 0 | 112.3 | E301 N302 K307 Q308 K309 | E301-S305 PolarHBondContact O-N 3.29Å; E301-S305 PolarHBondContact O-OG 3.47Å; N302-S305 PolarHBondContact O-OG 3.42Å; S305-K307 VanDerWaalsContact C-N 3.34Å; S305-K307 PolarHBondContact O-N 3.37Å; S305-Q308 PolarHBondContact O-N 2.91Å; S305-K309 PolarHBondContact O-N 2.87Å |
| 306 | R | 67.5 | Low | 69.8 | Low | 188 Ų | 188 | 115.9 Ų | 115.9 | 71% | 0.709 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64.7 | -36.3 | 173.1 | -170.4 | 174.6 | -179.1 | -178.1 | 0.2 | 112.4 | N302 Q304 A310 | N302-R306 VanDerWaalsContact O-CB 3.26Å; N302-R306 WeakPolarHBondContact O-CB 3.47Å; N302-R306 PolarHBondContact O-N 3.09Å; N302-R306 VanDerWaalsContact O-N 3.1Å; Q304-R306 PolarHBondContact O-N 2.89Å; R306-A310 PolarHBondContact O-N 3.49Å |
| 307 | K | 66.4 | Low | 68.2 | Low | 165 Ų | 165 | 118 Ų | 118 | 72% | 0.717 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -68.9 | -38 | 174.3 | -79.3 | -178.7 | 178.5 | -172.3 | 0 | 112.3 | H303 Q304 S305 A310 S311 | H303-K307 WeakPolarHBondContact O-CG 3.46Å; H303-K307 PolarHBondContact O-N 3.27Å; Q304-K307 PolarHBondContact O-N 3.46Å; S305-K307 VanDerWaalsContact C-N 3.34Å; S305-K307 PolarHBondContact O-N 3.37Å; K307-A310 PolarHBondContact O-N 3.07Å; K307-S311 PolarHBondContact O-N 3.08Å; K307-S311 PolarHBondContact O-OG 3.15Å |
| 308 | Q | 65.5 | Low | 66.4 | Low | 138 Ų | 138 | 121.6 Ų | 121.6 | 65% | 0.645 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -69.4 | -39.8 | 177.2 | -73.2 | -179.4 | -20.7 | 0 | 0 | 112.7 | Q304 S305 A310 S311 S312 | Q304-Q308 PolarHBondContact O-N 3.47Å; S305-Q308 PolarHBondContact O-N 2.91Å; Q308-A310 PolarHBondContact O-N 2.83Å; Q308-S311 WeakPolarHBondContact CA-OG 3.27Å; Q308-S311 PolarHBondContact O-N 2.95Å; Q308-S311 PolarHBondContact O-OG 3.09Å; Q308-S312 PolarHBondContact O-N 2.93Å; Q308-S312 VanDerWaalsContact O-N 3.15Å |
| 309 | K | 61.6 | Low | 64.7 | Low | 143 Ų | 143 | 121.3 Ų | 121.3 | 62% | 0.622 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -62.8 | -40.1 | 173.8 | -76.1 | -170.7 | 175.1 | -170.2 | 0 | 112.7 | S305 S311 S312 E313 | S305-K309 PolarHBondContact O-N 2.87Å; K309-S311 VanDerWaalsContact C-N 3.26Å; K309-S311 PolarHBondContact O-N 3.18Å; K309-S312 PolarHBondContact O-N 2.96Å; K309-S312 PolarHBondContact O-OG 3.3Å; K309-E313 PolarHBondContact O-N 3.27Å |
| 310 | A | 58.7 | Low | 63.1 | Low | 69 Ų | 69 | 128.8 Ų | 128.8 | 57% | 0.57 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -65.6 | -27.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | R306 K307 Q308 | R306-A310 PolarHBondContact O-N 3.49Å; K307-A310 PolarHBondContact O-N 3.07Å; Q308-A310 PolarHBondContact O-N 2.83Å |
| 311 | S | 57.9 | Low | 62.1 | Low | 82 Ų | 82 | 128.6 Ų | 128.6 | 57% | 0.573 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -81.2 | -25.1 | 175.1 | 55.2 | 0 | 0 | 0 | 0 | 114.2 | K307 Q308 K309 | K307-S311 PolarHBondContact O-N 3.08Å; K307-S311 PolarHBondContact O-OG 3.15Å; Q308-S311 WeakPolarHBondContact CA-OG 3.27Å; Q308-S311 PolarHBondContact O-N 2.95Å; Q308-S311 PolarHBondContact O-OG 3.09Å; K309-S311 VanDerWaalsContact C-N 3.26Å; K309-S311 PolarHBondContact O-N 3.18Å |
| 312 | S | 59.8 | Low | 61.1 | Low | 83 Ų | 83 | 128.9 Ų | 128.9 | 58% | 0.58 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -83.4 | -26.5 | 178.7 | 57.4 | 0 | 0 | 0 | 0 | 113.8 | Q308 K309 G314 | Q308-S312 PolarHBondContact O-N 2.93Å; Q308-S312 VanDerWaalsContact O-N 3.15Å; K309-S312 PolarHBondContact O-N 2.96Å; K309-S312 PolarHBondContact O-OG 3.3Å; S312-G314 VanDerWaalsContact C-N 3.28Å; S312-G314 PolarHBondContact O-N 3.38Å |
| 313 | E | 59.3 | Low | 60.2 | Low | 168 Ų | 168 | 131.1 Ų | 131.1 | 79% | 0.785 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | -7.7 | 178 | -71.6 | 174 | -179.1 | 0 | 0 | 113.1 | K309 | K309-E313 PolarHBondContact O-N 3.27Š|
| 314 | G | 56 | Low | 59.5 | Low | 60 Ų | 60 | 131.9 Ų | 131.9 | 62% | 0.619 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | 2.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | S312 | S312-G314 VanDerWaalsContact C-N 3.28Å; S312-G314 PolarHBondContact O-N 3.38Å |
| 315 | T | 51.7 | Low | 58.7 | Low | 116 Ų | 116 | 132.1 Ų | 132.1 | 71% | 0.712 | 71% | 0.707 | S | S | * | * | trans | -96.9 | 93.2 | 178.4 | -55 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 316 | I | 55.8 | Low | 58 | Low | 154 Ų | 154 | 137.4 Ų | 137.4 | 79% | 0.79 | 73% | 0.729 | S | S | * | * | trans | -73.1 | 125.9 | 166.4 | -59.6 | 171.6 | 0 | 0 | 0 | 107.8 | Q318 | I316-Q318 PolarHBondContact O-N 3.22Š| ||
| 317 | P | 54.7 | Low | 57.3 | Low | 105 Ų | 105 | 133.8 Ų | 133.8 | 68% | 0.682 | 73% | 0.731 | S | S | * | * | trans | -73.3 | 118.1 | 175 | 28.7 | -30.1 | 0 | 0 | 0 | 109.4 | V319 | P317-V319 PolarHBondContact O-N 3.26Š| ||
| 318 | Q | 50.2 | Low | 56.6 | Low | 197 Ų | 197 | 131.4 Ų | 131.4 | 92% | 0.921 | 73% | 0.732 | S | S | * | * | trans | -73.1 | 105.3 | 173.9 | -167.6 | 172.2 | 1.5 | 0 | 0 | 108.5 | I316 | I316-Q318 PolarHBondContact O-N 3.22Š| ||
| 319 | V | 54 | Low | 55.9 | Low | 128 Ų | 128 | 130.8 Ų | 130.8 | 78% | 0.776 | 74% | 0.739 | S | S | * | * | trans | -78 | 140.3 | 174.3 | 176.7 | 0 | 0 | 0 | 0 | 109.3 | P317 | P317-V319 PolarHBondContact O-N 3.26Š| ||
| 320 | Q | 50.8 | Low | 55.4 | Low | 265 Ų | 265 | 129.7 Ų | 129.7 | 100% | 1.238 | 75% | 0.75 | S | S | * | * | trans | -49.2 | 0 | 179.8 | -78 | 171.7 | -28.3 | 0 | 0 | 115.1 |
Retrieved 320 of 320 residues in 64.9 ms
(Link to these results)