| 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 | 48.2 | Very low | 80.2 | Confident | 206 Ų | 206 | 91.3 Ų | 91.3 | 100% | 1.015 | 49% | 0.489 | S | S | * | . | 0 | 124.1 | 0 | -68.3 | -177.6 | -170 | 0 | 0 | 105.4 | T3 | M1-T3 PolarHBondContact O-N 3.47Š| |||
| 2 | E | 59.7 | Low | 81.1 | Confident | 146 Ų | 146 | 85.2 Ų | 85.2 | 68% | 0.682 | 46% | 0.456 | S | S | * | . | trans | -63.6 | 125.1 | 178.4 | -75.5 | 142.7 | -160.1 | 0 | 0 | 110 | E4 I5 | E2-E4 VanDerWaalsContact C-N 3.27Å; E2-I5 HydrophobicContact CB-CG1 4.28Å | ||
| 3 | T | 77.8 | Confident | 81.9 | Confident | 66 Ų | 66 | 83.2 Ų | 83.2 | 41% | 0.405 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -81.5 | -14.2 | 167.1 | 43 | 0 | 0 | 0 | 0 | 111.2 | M1 I24 T25 V26 | M1-T3 PolarHBondContact O-N 3.47Å; T3-I24 CarbonylContact O-C 3.47Å; T3-I24 WeakPolarHBondContact O-CA 3.26Å; T3-I24 VanDerWaalsContact O-CG1 3.29Å; T3-I24 WeakPolarHBondContact O-CG1 3.35Å; T3-T25 PolarHBondContact O-N 3.24Å; T3-T25 PolarHBondContact O-OG1 3.46Å; T3-T25 VanDerWaalsContact O-OG1 3.06Å; T3-V26 PolarHBondContact O-N 3.07Å |
| 4 | E | 83.9 | Confident | 82.4 | Confident | 74 Ų | 74 | 81 Ų | 81 | 35% | 0.346 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 123.2 | -173.4 | -52.2 | -171.9 | 162.4 | 0 | 0 | 107.7 | E2 V26 | E2-E4 VanDerWaalsContact C-N 3.27Å; E4-V26 WeakPolarHBondContact CA-O 3.45Å; E4-V26 HydrophobicContact CB-CB 3.91Å; E4-V26 HydrophobicContact CB-CG2 4.47Å; E4-V26 HydrophobicContact CG-CB 3.82Å; E4-V26 HydrophobicContact CG-CG2 3.85Å |
| 5 | I | 85.5 | Confident | 82.9 | Confident | 31 Ų | 31 | 75.7 Ų | 75.7 | 16% | 0.159 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 118.3 | -178.9 | -61.3 | -174.9 | 0 | 0 | 0 | 108.8 | E2 L7 L20 I24 V26 L27 N28 | E2-I5 HydrophobicContact CB-CG1 4.28Å; I5-L7 HydrophobicContact CG2-CD1 3.69Å; I5-L7 HydrophobicContact CG2-CG 3.72Å; I5-L20 HydrophobicContact CD1-CD2 4.03Å; I5-I24 HydrophobicContact CB-CD1 3.9Å; I5-I24 HydrophobicContact CD1-CD1 3.81Å; I5-I24 HydrophobicContact CG1-CD1 3.77Å; I5-I24 HydrophobicContact CG1-CG1 4.49Å; I5-V26 PolarHBondContact N-O 3.42Å; I5-L27 HydrophobicContact CB-CD1 4.1Å; I5-L27 HydrophobicContact CG2-CD1 4.21Å; I5-L27 WeakPolarHBondContact O-CA 3.41Å; I5-N28 PolarHBondContact O-N 3.15Å |
| 6 | E | 86.7 | Confident | 83.3 | Confident | 131 Ų | 131 | 78.6 Ų | 78.6 | 61% | 0.612 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 111 | 173.9 | -53.9 | -161.9 | 136 | 0 | 0 | 109.6 | N28 | E6-N28 HydrophobicContact CB-CB 4.32Å; E6-N28 HydrophobicContact CG-CB 4.08Å |
| 7 | L | 87.3 | Confident | 83.5 | Confident | 58 Ų | 58 | 81.8 Ų | 81.8 | 30% | 0.304 | 42% | 0.418 | S | S | . | . | trans | -126.2 | 57.3 | 178.1 | -62.4 | 169.3 | 0 | 0 | 0 | 109.3 | I5 S10 I12 L18 N28 L29 N32 | I5-L7 HydrophobicContact CG2-CD1 3.69Å; I5-L7 HydrophobicContact CG2-CG 3.72Å; L7-S10 PolarHBondContact O-OG 3.35Å; L7-I12 HydrophobicContact CB-CD1 3.58Å; L7-I12 HydrophobicContact CD1-CD1 3.87Å; L7-I12 HydrophobicContact CG-CD1 4.35Å; L7-L18 HydrophobicContact CD1-CD1 4.35Å; L7-L18 HydrophobicContact CD1-CD2 3.94Å; L7-N28 PolarHBondContact N-O 2.92Å; L7-L29 HydrophobicContact CB-CD2 3.85Å; L7-L29 HydrophobicContact CD1-CD2 4.39Å; L7-N32 PolarHBondContact O-ND2 2.83Å | ||
| 8 | I | 87.6 | Confident | 83.6 | Confident | 80 Ų | 80 | 80.1 Ų | 80.1 | 41% | 0.41 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | 135.4 | 177.3 | -55.8 | 176.2 | 0 | 0 | 0 | 109.1 | S10 H30 | I8-S10 PolarHBondContact O-N 3.23Å; I8-S10 VanDerWaalsContact O-N 3.09Å; I8-S10 PolarHBondContact O-OG 3.07Å; I8-H30 WeakPolarHBondContact CA-O 3.4Å; I8-H30 HydrophobicContact CG1-CB 4.36Å; I8-H30 HydrophobicContact CG2-CB 4.26Å |
| 9 | N | 90.2 | Very high | 83.5 | Confident | 106 Ų | 106 | 83.4 Ų | 83.4 | 57% | 0.567 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.3 | 43.6 | 176 | -165.7 | 15.9 | 0 | 0 | 0 | 114.5 | H30 H31 | N9-H30 PolarHBondContact N-O 3.25Å; N9-H31 VanDerWaalsContact CA-O 3.29Å; N9-H31 WeakPolarHBondContact CA-O 3.33Å; N9-H31 HydrophobicContact CB-CB 4.43Å |
| 10 | S | 87.8 | Confident | 83.6 | Confident | 65 Ų | 65 | 79.9 Ų | 79.9 | 46% | 0.455 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -99.6 | 10.6 | -175.7 | -65.9 | 0 | 0 | 0 | 0 | 113.1 | L7 I8 I12 N32 | L7-S10 PolarHBondContact O-OG 3.35Å; I8-S10 PolarHBondContact O-N 3.23Å; I8-S10 VanDerWaalsContact O-N 3.09Å; I8-S10 PolarHBondContact O-OG 3.07Å; S10-I12 VanDerWaalsContact C-N 3.28Å; S10-I12 PolarHBondContact O-N 3.27Å; S10-N32 PolarHBondContact N-OD1 3.37Å |
| 11 | G | 87.8 | Confident | 83.6 | Confident | 41 Ų | 41 | 77.2 Ų | 77.2 | 42% | 0.423 | 40% | 0.399 | S | S | . | . | trans | 68.6 | 20.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | D13 N32 | G11-D13 PolarHBondContact O-N 2.95Å; G11-N32 PolarHBondContact N-OD1 3.48Å; G11-N32 VanDerWaalsContact N-OD1 3.11Å | ||
| 12 | I | 90.4 | Very high | 85.4 | Confident | 18 Ų | 18 | 70 Ų | 70 | 9% | 0.092 | 37% | 0.367 | C | S | . | . | trans | -72.3 | 123.8 | -174.7 | -62.6 | 161.7 | 0 | 0 | 0 | 109.8 | L7 S10 L18 L29 N32 H33 I34 | L7-I12 HydrophobicContact CB-CD1 3.58Å; L7-I12 HydrophobicContact CD1-CD1 3.87Å; L7-I12 HydrophobicContact CG-CD1 4.35Å; S10-I12 VanDerWaalsContact C-N 3.28Å; S10-I12 PolarHBondContact O-N 3.27Å; I12-L18 HydrophobicContact CD1-CD1 4.24Å; I12-L18 HydrophobicContact CD1-CD2 3.9Å; I12-L18 HydrophobicContact CG1-CD2 4.23Å; I12-L18 HydrophobicContact CG2-CD1 4.39Å; I12-L18 HydrophobicContact CG2-CD2 4.37Å; I12-L18 HydrophobicContact CG2-CG 4.47Å; I12-L29 HydrophobicContact CD1-CD2 3.82Å; I12-N32 HydrophobicContact CB-CB 4.2Å; I12-N32 PolarHBondContact N-OD1 3.15Å; I12-H33 CarbonylContact O-C 3.5Å; I12-H33 WeakPolarHBondContact O-CA 3.24Å; I12-H33 PolarHBondContact O-N 3.5Å; I12-I34 HydrophobicContact CG2-CD1 4.41Å; I12-I34 HydrophobicContact CG2-CG1 4.24Å; I12-I34 WeakPolarHBondContact O-CG1 3.48Å; I12-I34 PolarHBondContact O-N 3.14Å | ||
| 13 | D | 91.3 | Very high | 86.6 | Confident | 59 Ų | 59 | 69.9 Ų | 69.9 | 32% | 0.316 | 37% | 0.365 | S | S | . | . | trans | -98.8 | -24.2 | 177.5 | 64.1 | -11.8 | 0 | 0 | 0 | 113.4 | G11 R17 | G11-D13 PolarHBondContact O-N 2.95Å; D13-R17 IonicContact OD1-CZ 3.62Å; D13-R17 IonicContact OD1-NH1 3.97Å; D13-R17 PolarHBondContact OD1-NH1 3.01Å; D13-R17 IonicContact OD2-CZ 2.7Å; D13-R17 IonicContact OD2-NH1 2.75Å; D13-R17 PolarHBondContact OD2-NH1 3.04Å | ||
| 14 | N | 89.5 | Confident | 87.2 | Confident | 53 Ų | 53 | 66.8 Ų | 66.8 | 28% | 0.283 | 35% | 0.345 | S | S | . | . | trans | -150.1 | 115.4 | -174.6 | -167.7 | -35.4 | 0 | 0 | 0 | 112.7 | K16 R17 | N14-K16 PolarHBondContact O-N 3.26Å; N14-K16 WeakPolarHBondContact OD1-CB 3.37Å; N14-K16 PolarHBondContact OD1-N 2.84Å; N14-R17 HydrophobicContact CB-CG 4.5Å; N14-R17 WeakPolarHBondContact O-CB 3.49Å; N14-R17 PolarHBondContact O-N 3.48Å; N14-R17 VanDerWaalsContact O-N 3.11Å | ||
| 15 | I | 90.5 | Very high | 87.4 | Confident | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -58.9 | -30.3 | -177.8 | -52 | 171.7 | 0 | 0 | 0 | 112.2 | R17 L18 L20 L29 I34 I37 N38 L40 L51 | I15-R17 PolarHBondContact O-N 3.28Å; I15-R17 VanDerWaalsContact O-N 3.09Å; I15-L18 HydrophobicContact CG2-CD1 4.36Å; I15-L18 WeakPolarHBondContact O-CB 3.11Å; I15-L18 PolarHBondContact O-N 3.35Å; I15-L18 VanDerWaalsContact O-N 3.08Å; I15-L20 HydrophobicContact CG2-CD1 3.67Å; I15-L29 HydrophobicContact CD1-CD1 4.21Å; I15-L29 HydrophobicContact CG1-CD1 3.88Å; I15-L29 HydrophobicContact CG2-CD1 4.25Å; I15-I34 HydrophobicContact CD1-CD1 4.2Å; I15-I34 HydrophobicContact CD1-CG2 4.12Å; I15-I34 HydrophobicContact CG1-CD1 3.74Å; I15-I34 HydrophobicContact CG1-CG1 4.25Å; I15-I34 HydrophobicContact CG1-CG2 4.04Å; I15-I37 HydrophobicContact CD1-CG2 4.46Å; I15-N38 VanDerWaalsContact CB-O 3.31Å; I15-N38 WeakPolarHBondContact CB-O 3.42Å; I15-L40 HydrophobicContact CG2-CD2 3.81Å; I15-L40 HydrophobicContact CG2-CG 4.24Å; I15-L51 HydrophobicContact CD1-CD1 4.4Å; I15-L51 HydrophobicContact CD1-CD2 3.64Å; I15-L51 HydrophobicContact CG1-CD2 4.5Å |
| 16 | K | 88.3 | Confident | 87.7 | Confident | 123 Ų | 123 | 64.1 Ų | 64.1 | 54% | 0.535 | 34% | 0.336 | S | S | . | . | G | 310 helix | trans | -55.1 | -31.8 | 177.3 | -67.7 | -169.2 | -173.4 | -173.9 | 0 | 112.8 | N14 L18 N38 | N14-K16 PolarHBondContact O-N 3.26Å; N14-K16 WeakPolarHBondContact OD1-CB 3.37Å; N14-K16 PolarHBondContact OD1-N 2.84Å; K16-L18 VanDerWaalsContact C-N 3.27Å; K16-L18 PolarHBondContact O-N 3Å; K16-N38 HydrophobicContact CD-CB 4.4Å; K16-N38 HydrophobicContact CG-CB 4.04Å; K16-N38 WeakPolarHBondContact CG-O 3.33Å; K16-N38 PolarHBondContact N-O 3.29Å |
| 17 | R | 87 | Confident | 88 | Confident | 133 Ų | 133 | 57.9 Ų | 57.9 | 50% | 0.502 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -71.2 | -20 | -177.1 | -68.6 | 179.1 | 168.9 | 156.7 | -4.1 | 113.6 | D13 N14 I15 N19 | D13-R17 IonicContact OD1-CZ 3.62Å; D13-R17 IonicContact OD1-NH1 3.97Å; D13-R17 PolarHBondContact OD1-NH1 3.01Å; D13-R17 IonicContact OD2-CZ 2.7Å; D13-R17 IonicContact OD2-NH1 2.75Å; D13-R17 PolarHBondContact OD2-NH1 3.04Å; N14-R17 HydrophobicContact CB-CG 4.5Å; N14-R17 WeakPolarHBondContact O-CB 3.49Å; N14-R17 PolarHBondContact O-N 3.48Å; N14-R17 VanDerWaalsContact O-N 3.11Å; I15-R17 PolarHBondContact O-N 3.28Å; I15-R17 VanDerWaalsContact O-N 3.09Å; R17-N19 VanDerWaalsContact C-N 3.26Å; R17-N19 PolarHBondContact O-N 3.02Å |
| 18 | L | 84.7 | Confident | 88.2 | Confident | 50 Ų | 50 | 55.9 Ų | 55.9 | 26% | 0.262 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -73.5 | -13.7 | -177.1 | -59.9 | 178.7 | 0 | 0 | 0 | 113.7 | L7 I12 I15 K16 L20 L29 | L7-L18 HydrophobicContact CD1-CD1 4.35Å; L7-L18 HydrophobicContact CD1-CD2 3.94Å; I12-L18 HydrophobicContact CD1-CD1 4.24Å; I12-L18 HydrophobicContact CD1-CD2 3.9Å; I12-L18 HydrophobicContact CG1-CD2 4.23Å; I12-L18 HydrophobicContact CG2-CD1 4.39Å; I12-L18 HydrophobicContact CG2-CD2 4.37Å; I12-L18 HydrophobicContact CG2-CG 4.47Å; I15-L18 HydrophobicContact CG2-CD1 4.36Å; I15-L18 WeakPolarHBondContact O-CB 3.11Å; I15-L18 PolarHBondContact O-N 3.35Å; I15-L18 VanDerWaalsContact O-N 3.08Å; K16-L18 VanDerWaalsContact C-N 3.27Å; K16-L18 PolarHBondContact O-N 3Å; L18-L20 HydrophobicContact CB-CD2 3.85Å; L18-L20 HydrophobicContact CB-CG 3.9Å; L18-L20 HydrophobicContact CD1-CD2 4.17Å; L18-L20 PolarHBondContact O-N 3.13Å; L18-L29 HydrophobicContact CD1-CD1 3.95Å; L18-L29 HydrophobicContact CD1-CD2 3.88Å |
| 19 | N | 82.7 | Confident | 88.5 | Confident | 144 Ų | 144 | 52 Ų | 52 | 77% | 0.77 | 28% | 0.276 | S | S | * | . | trans | 47.8 | 43.9 | -178.6 | -77.7 | -46 | 0 | 0 | 0 | 113.5 | R17 | R17-N19 VanDerWaalsContact C-N 3.26Å; R17-N19 PolarHBondContact O-N 3.02Å | ||
| 20 | L | 85.2 | Confident | 88.7 | Confident | 12 Ų | 12 | 49.9 Ų | 49.9 | 6% | 0.063 | 26% | 0.263 | C | S | . | . | trans | -51.8 | 137.8 | -173.1 | -61.6 | 165.6 | 0 | 0 | 0 | 112.5 | I5 I15 L18 I24 L27 L40 T43 | I5-L20 HydrophobicContact CD1-CD2 4.03Å; I15-L20 HydrophobicContact CG2-CD1 3.67Å; L18-L20 HydrophobicContact CB-CD2 3.85Å; L18-L20 HydrophobicContact CB-CG 3.9Å; L18-L20 HydrophobicContact CD1-CD2 4.17Å; L18-L20 PolarHBondContact O-N 3.13Å; L20-I24 HydrophobicContact CD2-CD1 4.08Å; L20-L27 HydrophobicContact CD1-CD2 3.56Å; L20-L27 HydrophobicContact CD2-CD1 3.92Å; L20-L27 HydrophobicContact CD2-CD2 4.29Å; L20-L40 HydrophobicContact CD1-CD2 3.56Å; L20-T43 HydrophobicContact CB-CG2 3.58Å; L20-T43 HydrophobicContact CD1-CG2 4.12Å | ||
| 21 | S | 84.3 | Confident | 89 | Confident | 24 Ų | 24 | 51.2 Ų | 51.2 | 17% | 0.168 | 26% | 0.262 | C | S | . | . | trans | -67.9 | 142.2 | 178.7 | 102.2 | 0 | 0 | 0 | 0 | 110.1 | K23 I24 | S21-K23 PolarHBondContact O-N 2.81Å; S21-K23 VanDerWaalsContact O-N 3.09Å; S21-K23 PolarHBondContact OG-N 3.21Å; S21-I24 WeakPolarHBondContact O-CG2 3.33Å; S21-I24 PolarHBondContact O-N 3.3Å; S21-I24 PolarHBondContact OG-N 3.14Å | ||
| 22 | P | 84.8 | Confident | 89.3 | Confident | 54 Ų | 54 | 49.4 Ų | 49.4 | 35% | 0.351 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -12.1 | 178.4 | 27.6 | -35.2 | 0 | 0 | 0 | 113.4 | R42 F45 | P22-R42 WeakPolarHBondContact CA-O 3.46Å; P22-R42 VanDerWaalsContact CB-O 3.29Å; P22-R42 WeakPolarHBondContact CB-O 3.35Å; P22-F45 WeakPolarHBondContact O-CD2 3.35Å |
| 23 | K | 85 | Confident | 89.5 | Confident | 145 Ų | 145 | 52.7 Ų | 52.7 | 63% | 0.63 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 3.1 | 179.8 | -66 | -170.7 | 175 | -171.5 | 0 | 113.9 | S21 | S21-K23 PolarHBondContact O-N 2.81Å; S21-K23 VanDerWaalsContact O-N 3.09Å; S21-K23 PolarHBondContact OG-N 3.21Å |
| 24 | I | 90.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | trans | -64.5 | 133.5 | 178.7 | -165.4 | 175.8 | 0 | 0 | 0 | 111 | T3 I5 L20 S21 V26 L27 T43 F45 L46 | T3-I24 CarbonylContact O-C 3.47Å; T3-I24 WeakPolarHBondContact O-CA 3.26Å; T3-I24 VanDerWaalsContact O-CG1 3.29Å; T3-I24 WeakPolarHBondContact O-CG1 3.35Å; I5-I24 HydrophobicContact CB-CD1 3.9Å; I5-I24 HydrophobicContact CD1-CD1 3.81Å; I5-I24 HydrophobicContact CG1-CD1 3.77Å; I5-I24 HydrophobicContact CG1-CG1 4.49Å; L20-I24 HydrophobicContact CD2-CD1 4.08Å; S21-I24 WeakPolarHBondContact O-CG2 3.33Å; S21-I24 PolarHBondContact O-N 3.3Å; S21-I24 PolarHBondContact OG-N 3.14Å; I24-V26 WeakPolarHBondContact CD1-O 3.45Å; I24-V26 VanDerWaalsContact CG1-O 3.3Å; I24-V26 WeakPolarHBondContact CG1-O 3.37Å; I24-L27 HydrophobicContact CD1-CB 3.88Å; I24-L27 HydrophobicContact CD1-CD1 3.95Å; I24-L27 HydrophobicContact CD1-CG 4.35Å; I24-T43 HydrophobicContact CG2-CG2 3.48Å; I24-T43 VanDerWaalsContact CG2-CG2 3.48Å; I24-F45 CarbonylContact O-C 3.6Å; I24-F45 VanDerWaalsContact O-C 3.26Å; I24-L46 HydrophobicContact CD1-CD1 4.49Å; I24-L46 HydrophobicContact CG1-CD1 4.17Å; I24-L46 HydrophobicContact CG2-CD1 3.99Å; I24-L46 WeakPolarHBondContact O-CA 3.41Å; I24-L46 PolarHBondContact O-N 3.05Å | ||
| 25 | T | 89.2 | Confident | 89.9 | Confident | 32 Ų | 32 | 50.2 Ų | 50.2 | 20% | 0.196 | 25% | 0.249 | C | C | . | . | trans | -110.8 | -32 | 178.4 | 49.1 | 0 | 0 | 0 | 0 | 111.9 | T3 R47 Y48 | T3-T25 PolarHBondContact O-N 3.24Å; T3-T25 PolarHBondContact O-OG1 3.46Å; T3-T25 VanDerWaalsContact O-OG1 3.06Å; T25-R47 WeakPolarHBondContact O-CA 3.26Å; T25-R47 PolarHBondContact O-N 2.9Å; T25-Y48 PolarHBondContact O-N 3.03Å | ||
| 26 | V | 91.3 | Very high | 90 | Very high | 18 Ų | 18 | 55.4 Ų | 55.4 | 11% | 0.109 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 127.6 | 179.3 | -177.6 | 0 | 0 | 0 | 0 | 109.4 | T3 E4 I5 I24 Y48 | T3-V26 PolarHBondContact O-N 3.07Å; E4-V26 WeakPolarHBondContact CA-O 3.45Å; E4-V26 HydrophobicContact CB-CB 3.91Å; E4-V26 HydrophobicContact CB-CG2 4.47Å; E4-V26 HydrophobicContact CG-CB 3.82Å; E4-V26 HydrophobicContact CG-CG2 3.85Å; I5-V26 PolarHBondContact N-O 3.42Å; I24-V26 WeakPolarHBondContact CD1-O 3.45Å; I24-V26 VanDerWaalsContact CG1-O 3.3Å; I24-V26 WeakPolarHBondContact CG1-O 3.37Å; V26-Y48 HydrophobicContact CG1-CD1 3.67Å; V26-Y48 HydrophobicContact CG1-CE1 4.39Å; V26-Y48 HydrophobicContact CG1-CG 4.24Å |
| 27 | L | 92.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 110.5 | 175.3 | 179.3 | 58.5 | 0 | 0 | 0 | 109.6 | I5 L20 I24 L29 L40 L46 Y48 L49 D50 | I5-L27 HydrophobicContact CB-CD1 4.1Å; I5-L27 HydrophobicContact CG2-CD1 4.21Å; I5-L27 WeakPolarHBondContact O-CA 3.41Å; L20-L27 HydrophobicContact CD1-CD2 3.56Å; L20-L27 HydrophobicContact CD2-CD1 3.92Å; L20-L27 HydrophobicContact CD2-CD2 4.29Å; I24-L27 HydrophobicContact CD1-CB 3.88Å; I24-L27 HydrophobicContact CD1-CD1 3.95Å; I24-L27 HydrophobicContact CD1-CG 4.35Å; L27-L29 HydrophobicContact CD1-CD1 4.08Å; L27-L29 HydrophobicContact CD1-CD2 3.9Å; L27-L29 HydrophobicContact CD1-CG 3.8Å; L27-L29 HydrophobicContact CD2-CD1 4.06Å; L27-L29 HydrophobicContact CG-CD1 4.04Å; L27-L29 HydrophobicContact CG-CG 3.94Å; L27-L40 HydrophobicContact CD2-CD2 3.69Å; L27-L46 HydrophobicContact CB-CD1 3.58Å; L27-L46 HydrophobicContact CB-CD2 4.29Å; L27-L46 HydrophobicContact CD2-CD2 4.5Å; L27-Y48 PolarHBondContact N-O 2.95Å; L27-L49 HydrophobicContact CB-CD1 4.18Å; L27-L49 HydrophobicContact CD2-CD1 3.93Å; L27-L49 HydrophobicContact CG-CD1 4.07Å; L27-L49 WeakPolarHBondContact O-CA 3.29Å; L27-D50 PolarHBondContact O-N 3.23Å |
| 28 | N | 92.4 | Very high | 90.4 | Very high | 15 Ų | 15 | 45.1 Ų | 45.1 | 8% | 0.08 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 111.6 | 176.8 | -173.9 | -12.3 | 0 | 0 | 0 | 110 | I5 E6 L7 H30 Y48 D50 | I5-N28 PolarHBondContact O-N 3.15Å; E6-N28 HydrophobicContact CB-CB 4.32Å; E6-N28 HydrophobicContact CG-CB 4.08Å; L7-N28 PolarHBondContact N-O 2.92Å; N28-H30 VanDerWaalsContact OD1-CB 3.28Å; N28-H30 WeakPolarHBondContact OD1-CB 3.33Å; N28-H30 PolarHBondContact OD1-N 3.19Å; N28-H30 VanDerWaalsContact OD1-N 3.1Å; N28-Y48 HydrophobicContact CB-CE1 4.43Å; N28-D50 HydrophobicContact CB-CB 4.43Å |
| 29 | L | 93.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -121.4 | 31.3 | 179 | -60.1 | 179.5 | 0 | 0 | 0 | 111.1 | L7 I12 I15 L18 L27 N32 I34 D50 L51 N54 | L7-L29 HydrophobicContact CB-CD2 3.85Å; L7-L29 HydrophobicContact CD1-CD2 4.39Å; I12-L29 HydrophobicContact CD1-CD2 3.82Å; I15-L29 HydrophobicContact CD1-CD1 4.21Å; I15-L29 HydrophobicContact CG1-CD1 3.88Å; I15-L29 HydrophobicContact CG2-CD1 4.25Å; L18-L29 HydrophobicContact CD1-CD1 3.95Å; L18-L29 HydrophobicContact CD1-CD2 3.88Å; L27-L29 HydrophobicContact CD1-CD1 4.08Å; L27-L29 HydrophobicContact CD1-CD2 3.9Å; L27-L29 HydrophobicContact CD1-CG 3.8Å; L27-L29 HydrophobicContact CD2-CD1 4.06Å; L27-L29 HydrophobicContact CG-CD1 4.04Å; L27-L29 HydrophobicContact CG-CG 3.94Å; L29-N32 VanDerWaalsContact C-ND2 3.28Å; L29-N32 PolarHBondContact O-ND2 3.5Å; L29-I34 HydrophobicContact CB-CD1 3.91Å; L29-I34 HydrophobicContact CD1-CD1 3.87Å; L29-I34 HydrophobicContact CG-CD1 4.5Å; L29-D50 WeakPolarHBondContact CA-O 3.32Å; L29-D50 PolarHBondContact N-O 3.24Å; L29-L51 HydrophobicContact CB-CD2 4.05Å; L29-L51 HydrophobicContact CD1-CD2 4.08Å; L29-N54 PolarHBondContact O-ND2 3.49Å | ||
| 30 | H | 93.7 | Very high | 90.9 | Very high | 60 Ų | 60 | 37.1 Ų | 37.1 | 28% | 0.278 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | 140.3 | 175.4 | 178.2 | 73.2 | 0 | 0 | 0 | 112.6 | I8 N9 N28 N32 S52 S53 | I8-H30 WeakPolarHBondContact CA-O 3.4Å; I8-H30 HydrophobicContact CG1-CB 4.36Å; I8-H30 HydrophobicContact CG2-CB 4.26Å; N9-H30 PolarHBondContact N-O 3.25Å; N28-H30 VanDerWaalsContact OD1-CB 3.28Å; N28-H30 WeakPolarHBondContact OD1-CB 3.33Å; N28-H30 PolarHBondContact OD1-N 3.19Å; N28-H30 VanDerWaalsContact OD1-N 3.1Å; H30-N32 PolarHBondContact O-ND2 2.66Å; H30-S52 WeakPolarHBondContact CA-O 3.25Å; H30-S52 PolarHBondContact ND1-OG 3.01Å; H30-S53 PolarHBondContact CE1-OG 3.17Å |
| 31 | H | 93.9 | Very high | 90.9 | Very high | 93 Ų | 93 | 40.1 Ų | 40.1 | 43% | 0.431 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 45.3 | 172 | -153.1 | 80.8 | 0 | 0 | 0 | 114.9 | N9 S52 S53 | N9-H31 VanDerWaalsContact CA-O 3.29Å; N9-H31 WeakPolarHBondContact CA-O 3.33Å; N9-H31 HydrophobicContact CB-CB 4.43Å; H31-S52 PolarHBondContact N-O 2.91Å; H31-S53 VanDerWaalsContact CA-O 3.29Å; H31-S53 WeakPolarHBondContact CA-O 3.37Å |
| 32 | N | 94.6 | Very high | 91 | Very high | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -108.8 | -162.7 | 176.9 | -80.6 | -74.4 | 0 | 0 | 0 | 111.3 | L7 S10 G11 I12 L29 H30 I34 N54 | L7-N32 PolarHBondContact O-ND2 2.83Å; S10-N32 PolarHBondContact N-OD1 3.37Å; G11-N32 PolarHBondContact N-OD1 3.48Å; G11-N32 VanDerWaalsContact N-OD1 3.11Å; I12-N32 HydrophobicContact CB-CB 4.2Å; I12-N32 PolarHBondContact N-OD1 3.15Å; L29-N32 VanDerWaalsContact C-ND2 3.28Å; L29-N32 PolarHBondContact O-ND2 3.5Å; H30-N32 PolarHBondContact O-ND2 2.66Å; N32-I34 HydrophobicContact CB-CD1 4.21Å; N32-I34 HydrophobicContact CB-CG1 4.21Å; N32-N54 VanDerWaalsContact CA-OD1 3.31Å; N32-N54 WeakPolarHBondContact CA-OD1 3.46Å; N32-N54 WeakPolarHBondContact CB-OD1 3.36Å; N32-N54 PolarHBondContact N-OD1 3.25Å; N32-N54 PolarHBondContact O-OD1 3.4Å |
| 33 | H | 94.6 | Very high | 91.3 | Very high | 87 Ų | 87 | 44.1 Ų | 44.1 | 40% | 0.403 | 22% | 0.221 | S | C | . | . | trans | -114.4 | 24.4 | -178.5 | -59.6 | -24.7 | 0 | 0 | 0 | 112.4 | I12 S35 N54 Y55 | I12-H33 CarbonylContact O-C 3.5Å; I12-H33 WeakPolarHBondContact O-CA 3.24Å; I12-H33 PolarHBondContact O-N 3.5Å; H33-S35 PolarHBondContact O-N 3.32Å; H33-N54 PolarHBondContact N-OD1 3.29Å; H33-Y55 HydrophobicContact CB-CD2 4.34Å; H33-Y55 HydrophobicContact CB-CE2 4.19Å; H33-Y55 AromaticContact ND1-CE2 3.72Å | ||
| 34 | I | 95.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -70.3 | 120.5 | -174.5 | -57.6 | 163.7 | 0 | 0 | 0 | 109.3 | I12 I15 L29 N32 E36 L51 N54 Y55 I56 | I12-I34 HydrophobicContact CG2-CD1 4.41Å; I12-I34 HydrophobicContact CG2-CG1 4.24Å; I12-I34 WeakPolarHBondContact O-CG1 3.48Å; I12-I34 PolarHBondContact O-N 3.14Å; I15-I34 HydrophobicContact CD1-CD1 4.2Å; I15-I34 HydrophobicContact CD1-CG2 4.12Å; I15-I34 HydrophobicContact CG1-CD1 3.74Å; I15-I34 HydrophobicContact CG1-CG1 4.25Å; I15-I34 HydrophobicContact CG1-CG2 4.04Å; L29-I34 HydrophobicContact CB-CD1 3.91Å; L29-I34 HydrophobicContact CD1-CD1 3.87Å; L29-I34 HydrophobicContact CG-CD1 4.5Å; N32-I34 HydrophobicContact CB-CD1 4.21Å; N32-I34 HydrophobicContact CB-CG1 4.21Å; I34-E36 WeakPolarHBondContact CG2-O 3.27Å; I34-L51 HydrophobicContact CD1-CD2 3.66Å; I34-N54 HydrophobicContact CB-CB 4.3Å; I34-N54 VanDerWaalsContact CB-OD1 3.27Å; I34-N54 WeakPolarHBondContact CB-OD1 3.31Å; I34-N54 WeakPolarHBondContact CG1-OD1 3.45Å; I34-N54 PolarHBondContact N-OD1 3.42Å; I34-Y55 CarbonylContact O-C 2.99Å; I34-Y55 WeakPolarHBondContact O-CA 3.26Å; I34-Y55 PolarHBondContact O-N 3.36Å; I34-I56 HydrophobicContact CG2-CD1 4.48Å; I34-I56 HydrophobicContact CG2-CG1 4.28Å; I34-I56 WeakPolarHBondContact O-CG1 3.32Å; I34-I56 PolarHBondContact O-N 3.16Å | ||
| 35 | S | 93.1 | Very high | 91.4 | Very high | 61 Ų | 61 | 44.9 Ų | 44.9 | 43% | 0.427 | 23% | 0.228 | S | C | . | . | trans | -98.3 | -22.4 | 176.2 | 58.4 | 0 | 0 | 0 | 0 | 113.9 | H33 I56 | H33-S35 PolarHBondContact O-N 3.32Å; S35-I56 WeakPolarHBondContact O-CA 3.38Å | ||
| 36 | E | 92.7 | Very high | 91.5 | Very high | 110 Ų | 110 | 43.3 Ų | 43.3 | 51% | 0.514 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -140.5 | 136.8 | -178.7 | -64 | -176.6 | -177.3 | 0 | 0 | 111.3 | I34 N38 | I34-E36 WeakPolarHBondContact CG2-O 3.27Å; E36-N38 WeakPolarHBondContact CB-ND2 3.36Å; E36-N38 PolarHBondContact O-N 3.08Å; E36-N38 PolarHBondContact OE2-ND2 2.79Å |
| 37 | I | 93.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -83.3 | 108.6 | 176.2 | -53 | 177.2 | 0 | 0 | 0 | 108.7 | I15 L40 L51 I56 C60 L62 L73 | I15-I37 HydrophobicContact CD1-CG2 4.46Å; I37-L40 HydrophobicContact CG2-CD1 3.83Å; I37-L51 HydrophobicContact CD1-CD1 3.94Å; I37-L51 HydrophobicContact CG1-CD1 3.98Å; I37-L51 HydrophobicContact CG2-CD1 4.24Å; I37-I56 HydrophobicContact CD1-CD1 4.14Å; I37-I56 HydrophobicContact CD1-CG2 4.15Å; I37-I56 HydrophobicContact CG1-CD1 3.76Å; I37-I56 HydrophobicContact CG1-CG1 4.25Å; I37-I56 HydrophobicContact CG1-CG2 4Å; I37-C60 VanDerWaalsContact CB-O 3.24Å; I37-C60 WeakPolarHBondContact CB-O 3.29Å; I37-C60 VanDerWaalsContact CG2-O 3.29Å; I37-C60 WeakPolarHBondContact CG2-O 3.18Å; I37-L62 HydrophobicContact CG2-CD2 3.75Å; I37-L62 HydrophobicContact CG2-CG 4.31Å; I37-L73 HydrophobicContact CD1-CD2 3.78Å | ||
| 38 | N | 89.8 | Confident | 91.6 | Very high | 39 Ų | 39 | 47 Ų | 47 | 21% | 0.209 | 23% | 0.231 | C | C | . | . | trans | -154 | 139.2 | -170.9 | -94.6 | -53.9 | 0 | 0 | 0 | 111.7 | I15 K16 E36 | I15-N38 VanDerWaalsContact CB-O 3.31Å; I15-N38 WeakPolarHBondContact CB-O 3.42Å; K16-N38 HydrophobicContact CD-CB 4.4Å; K16-N38 HydrophobicContact CG-CB 4.04Å; K16-N38 WeakPolarHBondContact CG-O 3.33Å; K16-N38 PolarHBondContact N-O 3.29Å; E36-N38 WeakPolarHBondContact CB-ND2 3.36Å; E36-N38 PolarHBondContact O-N 3.08Å; E36-N38 PolarHBondContact OE2-ND2 2.79Å | ||
| 39 | G | 87.8 | Confident | 91.7 | Very high | 25 Ų | 25 | 46.3 Ų | 46.3 | 26% | 0.258 | 23% | 0.228 | S | C | . | . | S | Bend | trans | 98.4 | -0.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | T41 | G39-T41 PolarHBondContact O-N 3.24Š|
| 40 | L | 90.7 | Very high | 91.8 | Very high | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -78.8 | 5.1 | 171.6 | -59.3 | 176.9 | 0 | 0 | 0 | 113.1 | I15 L20 L27 I37 R42 T43 L49 L62 L65 | I15-L40 HydrophobicContact CG2-CD2 3.81Å; I15-L40 HydrophobicContact CG2-CG 4.24Å; L20-L40 HydrophobicContact CD1-CD2 3.56Å; L27-L40 HydrophobicContact CD2-CD2 3.69Å; I37-L40 HydrophobicContact CG2-CD1 3.83Å; L40-R42 PolarHBondContact O-N 3.2Å; L40-T43 WeakPolarHBondContact CA-OG1 3.35Å; L40-T43 HydrophobicContact CD2-CG2 4.49Å; L40-T43 PolarHBondContact O-N 2.98Å; L40-T43 VanDerWaalsContact O-N 3.08Å; L40-T43 PolarHBondContact O-OG1 3.35Å; L40-L49 HydrophobicContact CD1-CD1 4.4Å; L40-L49 HydrophobicContact CD1-CD2 3.56Å; L40-L62 HydrophobicContact CD1-CD2 4.11Å; L40-L65 HydrophobicContact CB-CD1 4.15Å; L40-L65 HydrophobicContact CB-CD2 4.2Å; L40-L65 HydrophobicContact CD1-CD1 4Å; L40-L65 WeakPolarHBondContact O-CD2 3.23Å |
| 41 | T | 86.1 | Confident | 91.9 | Very high | 76 Ų | 76 | 44 Ų | 44 | 47% | 0.466 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -61.1 | -21.7 | -176.9 | 53.1 | 0 | 0 | 0 | 0 | 114.3 | G39 N64 | G39-T41 PolarHBondContact O-N 3.24Å; T41-N64 PolarHBondContact O-ND2 3.41Å |
| 42 | R | 86 | Confident | 91.9 | Very high | 160 Ų | 160 | 39.7 Ų | 39.7 | 60% | 0.604 | 20% | 0.198 | S | C | * | . | G | 310 helix | trans | -100 | -14.2 | 177.4 | -64 | -178.4 | 68.8 | -155.2 | 2.4 | 114 | P22 L40 T44 | P22-R42 WeakPolarHBondContact CA-O 3.46Å; P22-R42 VanDerWaalsContact CB-O 3.29Å; P22-R42 WeakPolarHBondContact CB-O 3.35Å; L40-R42 PolarHBondContact O-N 3.2Å; R42-T44 PolarHBondContact O-N 2.94Å; R42-T44 VanDerWaalsContact O-N 3.09Å |
| 43 | T | 90.2 | Very high | 92 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | trans | -89.2 | 51.2 | -172.8 | 58.4 | 0 | 0 | 0 | 0 | 111 | L20 I24 L40 F45 L46 L65 | L20-T43 HydrophobicContact CB-CG2 3.58Å; L20-T43 HydrophobicContact CD1-CG2 4.12Å; I24-T43 HydrophobicContact CG2-CG2 3.48Å; I24-T43 VanDerWaalsContact CG2-CG2 3.48Å; L40-T43 WeakPolarHBondContact CA-OG1 3.35Å; L40-T43 HydrophobicContact CD2-CG2 4.49Å; L40-T43 PolarHBondContact O-N 2.98Å; L40-T43 VanDerWaalsContact O-N 3.08Å; L40-T43 PolarHBondContact O-OG1 3.35Å; T43-F45 PolarHBondContact O-N 3Å; T43-F45 VanDerWaalsContact O-N 3.15Å; T43-L46 VanDerWaalsContact O-CB 3.24Å; T43-L46 WeakPolarHBondContact O-CB 3.47Å; T43-L46 PolarHBondContact O-N 2.71Å; T43-L46 VanDerWaalsContact O-N 3.08Å; T43-L65 WeakPolarHBondContact O-CD2 3.38Å | ||
| 44 | T | 87.9 | Confident | 92.1 | Very high | 51 Ų | 51 | 37.2 Ų | 37.2 | 31% | 0.313 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -24.6 | -169.9 | 53.7 | 0 | 0 | 0 | 0 | 113.9 | R42 L46 N64 H67 | R42-T44 PolarHBondContact O-N 2.94Å; R42-T44 VanDerWaalsContact O-N 3.09Å; T44-L46 VanDerWaalsContact C-N 3.34Å; T44-N64 HydrophobicContact CG2-CB 4.37Å; T44-H67 PolarHBondContact O-CD2 3.32Å; T44-H67 VanDerWaalsContact O-CD2 3.32Å |
| 45 | F | 89.8 | Confident | 92.2 | Very high | 110 Ų | 110 | 42.9 Ų | 42.9 | 48% | 0.482 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 6.7 | 178.9 | -64.9 | -76.8 | 0 | 0 | 0 | 114.2 | P22 I24 T43 R47 H67 | P22-F45 WeakPolarHBondContact O-CD2 3.35Å; I24-F45 CarbonylContact O-C 3.6Å; I24-F45 VanDerWaalsContact O-C 3.26Å; T43-F45 PolarHBondContact O-N 3Å; T43-F45 VanDerWaalsContact O-N 3.15Å; F45-R47 PolarHBondContact O-N 2.85Å; F45-H67 AromaticContact CD1-CD2 3.92Å |
| 46 | L | 92.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -65.6 | 128.9 | 178.8 | -166.7 | 72.5 | 0 | 0 | 0 | 110.6 | I24 L27 T43 T44 Y48 L49 L65 H67 L68 | I24-L46 HydrophobicContact CD1-CD1 4.49Å; I24-L46 HydrophobicContact CG1-CD1 4.17Å; I24-L46 HydrophobicContact CG2-CD1 3.99Å; I24-L46 WeakPolarHBondContact O-CA 3.41Å; I24-L46 PolarHBondContact O-N 3.05Å; L27-L46 HydrophobicContact CB-CD1 3.58Å; L27-L46 HydrophobicContact CB-CD2 4.29Å; L27-L46 HydrophobicContact CD2-CD2 4.5Å; T43-L46 VanDerWaalsContact O-CB 3.24Å; T43-L46 WeakPolarHBondContact O-CB 3.47Å; T43-L46 PolarHBondContact O-N 2.71Å; T43-L46 VanDerWaalsContact O-N 3.08Å; T44-L46 VanDerWaalsContact C-N 3.34Å; L46-Y48 WeakPolarHBondContact CD1-O 3.39Å; L46-L49 HydrophobicContact CD2-CB 3.86Å; L46-L49 HydrophobicContact CD2-CD1 4.1Å; L46-L49 HydrophobicContact CD2-CD2 4.11Å; L46-L49 HydrophobicContact CD2-CG 4.25Å; L46-L65 HydrophobicContact CB-CD2 4.31Å; L46-L65 HydrophobicContact CD2-CD1 4.29Å; L46-H67 CarbonylContact O-C 3.52Å; L46-H67 VanDerWaalsContact O-C 3.28Å; L46-L68 HydrophobicContact CD2-CD1 4.25Å; L46-L68 HydrophobicContact CG-CD1 4.15Å; L46-L68 WeakPolarHBondContact O-CA 3.4Å; L46-L68 PolarHBondContact O-N 3.27Å; L46-L68 VanDerWaalsContact O-N 3.12Å | ||
| 47 | R | 92.2 | Very high | 92.4 | Very high | 55 Ų | 55 | 38.9 Ų | 38.9 | 21% | 0.208 | 19% | 0.193 | C | C | . | . | trans | -115.8 | -31.1 | -175.9 | -69.2 | 172.4 | 69.2 | 166 | -5.3 | 112.5 | T25 F45 R69 V70 E198 | T25-R47 WeakPolarHBondContact O-CA 3.26Å; T25-R47 PolarHBondContact O-N 2.9Å; F45-R47 PolarHBondContact O-N 2.85Å; R47-R69 WeakPolarHBondContact O-CA 3.38Å; R47-R69 WeakPolarHBondContact O-CB 3.14Å; R47-R69 PolarHBondContact O-N 2.71Å; R47-V70 PolarHBondContact O-N 3.42Å; R47-E198 IonicContact CZ-OE1 2.75Å; R47-E198 IonicContact CZ-OE2 3.83Å; R47-E198 VanDerWaalsContact CZ-OE2 3.23Å; R47-E198 IonicContact NH1-OE1 3.5Å; R47-E198 PolarHBondContact NH1-OE1 3.01Å; R47-E198 IonicContact NH1-OE2 3.69Å; R47-E198 PolarHBondContact NH1-OE2 2.93Å; R47-E198 IonicContact NH2-OE1 3.94Å; R47-E198 PolarHBondContact NH2-OE1 2.91Å; R47-E198 IonicContact NH2-OE2 3.91Å; R47-E198 PolarHBondContact NH2-OE2 3.47Å | ||
| 48 | Y | 93.4 | Very high | 92.4 | Very high | 41 Ų | 41 | 45.8 Ų | 45.8 | 16% | 0.161 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 126.3 | 173.7 | 178.1 | -84.6 | 0 | 0 | 0 | 109.6 | T25 V26 L27 N28 L46 D50 V70 L196 | T25-Y48 PolarHBondContact O-N 3.03Å; V26-Y48 HydrophobicContact CG1-CD1 3.67Å; V26-Y48 HydrophobicContact CG1-CE1 4.39Å; V26-Y48 HydrophobicContact CG1-CG 4.24Å; L27-Y48 PolarHBondContact N-O 2.95Å; N28-Y48 HydrophobicContact CB-CE1 4.43Å; L46-Y48 WeakPolarHBondContact CD1-O 3.39Å; Y48-D50 HydrophobicContact CE1-CB 3.68Å; Y48-D50 PolarHBondContact OH-OD2 3.47Å; Y48-V70 HydrophobicContact CD2-CB 3.71Å; Y48-V70 HydrophobicContact CD2-CG1 3.79Å; Y48-V70 HydrophobicContact CD2-CG2 4.3Å; Y48-V70 HydrophobicContact CE2-CB 4.33Å; Y48-V70 HydrophobicContact CE2-CG1 3.88Å; Y48-L196 HydrophobicContact CD2-CD1 3.82Å; Y48-L196 HydrophobicContact CG-CD1 4.44Å |
| 49 | L | 94.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 112.7 | 175.2 | 178.1 | 53.9 | 0 | 0 | 0 | 109.5 | L27 L40 L46 L51 L62 L65 L68 V70 L71 N72 | L27-L49 HydrophobicContact CB-CD1 4.18Å; L27-L49 HydrophobicContact CD2-CD1 3.93Å; L27-L49 HydrophobicContact CG-CD1 4.07Å; L27-L49 WeakPolarHBondContact O-CA 3.29Å; L40-L49 HydrophobicContact CD1-CD1 4.4Å; L40-L49 HydrophobicContact CD1-CD2 3.56Å; L46-L49 HydrophobicContact CD2-CB 3.86Å; L46-L49 HydrophobicContact CD2-CD1 4.1Å; L46-L49 HydrophobicContact CD2-CD2 4.11Å; L46-L49 HydrophobicContact CD2-CG 4.25Å; L49-L51 HydrophobicContact CD1-CD1 3.89Å; L49-L51 HydrophobicContact CD1-CD2 4.39Å; L49-L51 HydrophobicContact CD1-CG 3.78Å; L49-L51 HydrophobicContact CD2-CD1 3.78Å; L49-L51 HydrophobicContact CG-CD1 3.8Å; L49-L51 HydrophobicContact CG-CG 4.01Å; L49-L62 HydrophobicContact CD2-CD2 3.74Å; L49-L65 HydrophobicContact CD2-CD1 4.19Å; L49-L68 HydrophobicContact CB-CD1 3.7Å; L49-L68 HydrophobicContact CB-CD2 4.44Å; L49-V70 PolarHBondContact N-O 3.48Å; L49-L71 HydrophobicContact CB-CD1 4.17Å; L49-L71 HydrophobicContact CD2-CD1 3.9Å; L49-L71 HydrophobicContact CG-CD1 4.01Å; L49-L71 WeakPolarHBondContact O-CA 3.46Å; L49-N72 PolarHBondContact O-N 3.06Å |
| 50 | D | 94.6 | Very high | 92.8 | Very high | 10 Ų | 10 | 44.3 Ų | 44.3 | 5% | 0.053 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 120.8 | 169.5 | -159.2 | -38.5 | 0 | 0 | 0 | 110.5 | L27 N28 L29 Y48 S52 N72 | L27-D50 PolarHBondContact O-N 3.23Å; N28-D50 HydrophobicContact CB-CB 4.43Å; L29-D50 WeakPolarHBondContact CA-O 3.32Å; L29-D50 PolarHBondContact N-O 3.24Å; Y48-D50 HydrophobicContact CE1-CB 3.68Å; Y48-D50 PolarHBondContact OH-OD2 3.47Å; D50-S52 VanDerWaalsContact OD1-CB 3.25Å; D50-S52 WeakPolarHBondContact OD1-CB 3.31Å; D50-S52 PolarHBondContact OD1-N 3.31Å; D50-S52 PolarHBondContact OD1-OG 2.97Å; D50-N72 HydrophobicContact CB-CB 4.31Å; D50-N72 VanDerWaalsContact CG-ND2 3.35Å; D50-N72 PolarHBondContact OD1-ND2 3.32Å; D50-N72 PolarHBondContact OD2-ND2 3.11Å |
| 51 | L | 96.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -129 | 20.9 | 177.4 | -73.5 | 167.4 | 0 | 0 | 0 | 110.6 | I15 L29 I34 I37 L49 N54 I56 N72 L73 N76 | I15-L51 HydrophobicContact CD1-CD1 4.4Å; I15-L51 HydrophobicContact CD1-CD2 3.64Å; I15-L51 HydrophobicContact CG1-CD2 4.5Å; L29-L51 HydrophobicContact CB-CD2 4.05Å; L29-L51 HydrophobicContact CD1-CD2 4.08Å; I34-L51 HydrophobicContact CD1-CD2 3.66Å; I37-L51 HydrophobicContact CD1-CD1 3.94Å; I37-L51 HydrophobicContact CG1-CD1 3.98Å; I37-L51 HydrophobicContact CG2-CD1 4.24Å; L49-L51 HydrophobicContact CD1-CD1 3.89Å; L49-L51 HydrophobicContact CD1-CD2 4.39Å; L49-L51 HydrophobicContact CD1-CG 3.78Å; L49-L51 HydrophobicContact CD2-CD1 3.78Å; L49-L51 HydrophobicContact CG-CD1 3.8Å; L49-L51 HydrophobicContact CG-CG 4.01Å; L51-N54 WeakPolarHBondContact O-CB 3.48Å; L51-N54 PolarHBondContact O-ND2 2.99Å; L51-N54 VanDerWaalsContact O-ND2 3.07Å; L51-I56 HydrophobicContact CB-CD1 3.81Å; L51-I56 HydrophobicContact CD1-CD1 4.19Å; L51-I56 HydrophobicContact CD2-CD1 4.43Å; L51-I56 HydrophobicContact CG-CD1 4.39Å; L51-N72 CarbonylContact C-O 3.25Å; L51-N72 PolarHBondContact N-O 3.1Å; L51-L73 HydrophobicContact CB-CD2 3.8Å; L51-L73 HydrophobicContact CD1-CD2 4.06Å; L51-N76 PolarHBondContact O-ND2 3.5Å | ||
| 52 | S | 95 | Very high | 93.1 | Very high | 4 Ų | 4 | 41.1 Ų | 41.1 | 3% | 0.028 | 19% | 0.189 | C | C | . | . | trans | -68.8 | 156.3 | -178.2 | 58.3 | 0 | 0 | 0 | 0 | 113 | H30 H31 D50 N54 N72 S74 | H30-S52 WeakPolarHBondContact CA-O 3.25Å; H30-S52 PolarHBondContact ND1-OG 3.01Å; H31-S52 PolarHBondContact N-O 2.91Å; D50-S52 VanDerWaalsContact OD1-CB 3.25Å; D50-S52 WeakPolarHBondContact OD1-CB 3.31Å; D50-S52 PolarHBondContact OD1-N 3.31Å; D50-S52 PolarHBondContact OD1-OG 2.97Å; S52-N54 PolarHBondContact O-N 2.86Å; S52-N54 PolarHBondContact O-ND2 2.89Å; S52-N72 PolarHBondContact N-O 3.5Å; S52-N72 PolarHBondContact OG-ND2 3.47Å; S52-S74 CarbonylContact C-O 3.49Å; S52-S74 WeakPolarHBondContact CA-O 3.33Å; S52-S74 VanDerWaalsContact CB-O 3.28Å; S52-S74 WeakPolarHBondContact CB-O 3.32Å; S52-S74 WeakPolarHBondContact CB-OG 3.47Å | ||
| 53 | S | 96.5 | Very high | 93.2 | Very high | 33 Ų | 33 | 37.1 Ų | 37.1 | 23% | 0.231 | 18% | 0.178 | C | C | . | . | S | Bend | trans | 56.3 | 46.3 | -176.9 | -62.3 | 0 | 0 | 0 | 0 | 113.3 | H30 H31 S74 S75 | H30-S53 PolarHBondContact CE1-OG 3.17Å; H31-S53 VanDerWaalsContact CA-O 3.29Å; H31-S53 WeakPolarHBondContact CA-O 3.37Å; S53-S74 PolarHBondContact N-O 3.32Å; S53-S75 VanDerWaalsContact CA-O 3.23Å; S53-S75 WeakPolarHBondContact CA-O 3.38Å; S53-S75 PolarHBondContact N-O 3.49Å |
| 54 | N | 96.8 | Very high | 93.2 | Very high | 5 Ų | 5 | 40.6 Ų | 40.6 | 3% | 0.027 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -120 | -167.8 | 176.8 | -84.1 | -87.4 | 0 | 0 | 0 | 110.1 | L29 N32 H33 I34 L51 S52 I56 S75 N76 | L29-N54 PolarHBondContact O-ND2 3.49Å; N32-N54 VanDerWaalsContact CA-OD1 3.31Å; N32-N54 WeakPolarHBondContact CA-OD1 3.46Å; N32-N54 WeakPolarHBondContact CB-OD1 3.36Å; N32-N54 PolarHBondContact N-OD1 3.25Å; N32-N54 PolarHBondContact O-OD1 3.4Å; H33-N54 PolarHBondContact N-OD1 3.29Å; I34-N54 HydrophobicContact CB-CB 4.3Å; I34-N54 VanDerWaalsContact CB-OD1 3.27Å; I34-N54 WeakPolarHBondContact CB-OD1 3.31Å; I34-N54 WeakPolarHBondContact CG1-OD1 3.45Å; I34-N54 PolarHBondContact N-OD1 3.42Å; L51-N54 WeakPolarHBondContact O-CB 3.48Å; L51-N54 PolarHBondContact O-ND2 2.99Å; L51-N54 VanDerWaalsContact O-ND2 3.07Å; S52-N54 PolarHBondContact O-N 2.86Å; S52-N54 PolarHBondContact O-ND2 2.89Å; N54-I56 HydrophobicContact CB-CD1 4.29Å; N54-I56 HydrophobicContact CB-CG1 4.25Å; N54-S75 PolarHBondContact N-O 3.41Å; N54-N76 WeakPolarHBondContact CA-OD1 3.49Å; N54-N76 VanDerWaalsContact CB-OD1 3.24Å; N54-N76 WeakPolarHBondContact CB-OD1 3.25Å; N54-N76 PolarHBondContact O-OD1 2.92Å |
| 55 | Y | 95.7 | Very high | 93.5 | Very high | 119 Ų | 119 | 38.2 Ų | 38.2 | 47% | 0.467 | 18% | 0.181 | S | C | . | . | trans | -111.2 | 26.2 | -179.8 | -57.1 | -50.8 | 0 | 0 | 0 | 113 | H33 I34 T57 N76 | H33-Y55 HydrophobicContact CB-CD2 4.34Å; H33-Y55 HydrophobicContact CB-CE2 4.19Å; H33-Y55 AromaticContact ND1-CE2 3.72Å; I34-Y55 CarbonylContact O-C 2.99Å; I34-Y55 WeakPolarHBondContact O-CA 3.26Å; I34-Y55 PolarHBondContact O-N 3.36Å; Y55-T57 PolarHBondContact O-N 3.42Å; Y55-N76 PolarHBondContact N-OD1 2.81Å | ||
| 56 | I | 96.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -67.7 | 126.1 | -175.9 | -59.1 | 164.4 | 0 | 0 | 0 | 109.6 | I34 S35 I37 L51 N54 R58 L73 N76 K77 I78 | I34-I56 HydrophobicContact CG2-CD1 4.48Å; I34-I56 HydrophobicContact CG2-CG1 4.28Å; I34-I56 WeakPolarHBondContact O-CG1 3.32Å; I34-I56 PolarHBondContact O-N 3.16Å; S35-I56 WeakPolarHBondContact O-CA 3.38Å; I37-I56 HydrophobicContact CD1-CD1 4.14Å; I37-I56 HydrophobicContact CD1-CG2 4.15Å; I37-I56 HydrophobicContact CG1-CD1 3.76Å; I37-I56 HydrophobicContact CG1-CG1 4.25Å; I37-I56 HydrophobicContact CG1-CG2 4Å; L51-I56 HydrophobicContact CB-CD1 3.81Å; L51-I56 HydrophobicContact CD1-CD1 4.19Å; L51-I56 HydrophobicContact CD2-CD1 4.43Å; L51-I56 HydrophobicContact CG-CD1 4.39Å; N54-I56 HydrophobicContact CB-CD1 4.29Å; N54-I56 HydrophobicContact CB-CG1 4.25Å; I56-R58 WeakPolarHBondContact CG2-O 3.45Å; I56-L73 HydrophobicContact CD1-CD2 3.81Å; I56-N76 HydrophobicContact CB-CB 4.32Å; I56-N76 VanDerWaalsContact CB-OD1 3.25Å; I56-N76 WeakPolarHBondContact CB-OD1 3.22Å; I56-N76 WeakPolarHBondContact CG1-OD1 3.38Å; I56-N76 PolarHBondContact N-OD1 3.44Å; I56-K77 CarbonylContact O-C 3.45Å; I56-K77 VanDerWaalsContact O-C 3.3Å; I56-K77 WeakPolarHBondContact O-CA 3.49Å; I56-K77 PolarHBondContact O-N 3.49Å; I56-I78 HydrophobicContact CG2-CD1 4.31Å; I56-I78 HydrophobicContact CG2-CG1 4.17Å; I56-I78 PolarHBondContact O-N 3.4Å | ||
| 57 | T | 94.1 | Very high | 93.4 | Very high | 86 Ų | 86 | 42.2 Ų | 42.2 | 53% | 0.528 | 20% | 0.201 | S | C | . | . | trans | -103.7 | -20.4 | -179.5 | 54.5 | 0 | 0 | 0 | 0 | 113.8 | Y55 K77 | Y55-T57 PolarHBondContact O-N 3.42Å; T57-K77 HydrophobicContact CG2-CB 4.07Å | ||
| 58 | R | 93.6 | Very high | 93.4 | Very high | 145 Ų | 145 | 39.6 Ų | 39.6 | 55% | 0.547 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -149 | 141.3 | 179.9 | -173.1 | 179 | -180 | -172.1 | 2 | 111 | I56 D82 | I56-R58 WeakPolarHBondContact CG2-O 3.45Å; R58-D82 IonicContact CZ-OD2 3.27Å; R58-D82 IonicContact NH2-OD2 3.59Å; R58-D82 PolarHBondContact NH2-OD2 3.37Å |
| 59 | I | 94.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -76.4 | 125.7 | 171.4 | -53.3 | 179.2 | 0 | 0 | 0 | 109.2 | L62 L73 I78 D82 S83 L84 | I59-L62 HydrophobicContact CG2-CD1 3.55Å; I59-L62 HydrophobicContact CG2-CG 4.41Å; I59-L73 HydrophobicContact CD1-CD1 3.95Å; I59-L73 HydrophobicContact CG1-CD1 4.05Å; I59-I78 HydrophobicContact CD1-CD1 4.44Å; I59-I78 HydrophobicContact CD1-CG2 4.37Å; I59-I78 HydrophobicContact CG1-CD1 3.98Å; I59-I78 HydrophobicContact CG1-CG2 4.12Å; I59-D82 WeakPolarHBondContact CB-O 3.43Å; I59-D82 WeakPolarHBondContact CG2-O 3.37Å; I59-S83 PolarHBondContact O-OG 3.25Å; I59-L84 HydrophobicContact CD1-CD2 4.29Å; I59-L84 HydrophobicContact CG2-CD2 3.85Å | ||
| 60 | C | 91.6 | Very high | 93.4 | Very high | 34 Ų | 34 | 42.3 Ų | 42.3 | 23% | 0.23 | 20% | 0.203 | C | C | . | . | trans | -160.9 | 170.8 | 178.7 | 53 | 0 | 0 | 0 | 0 | 109.2 | I37 L62 | I37-C60 VanDerWaalsContact CB-O 3.24Å; I37-C60 WeakPolarHBondContact CB-O 3.29Å; I37-C60 VanDerWaalsContact CG2-O 3.29Å; I37-C60 WeakPolarHBondContact CG2-O 3.18Å; C60-L62 PolarHBondContact O-N 3.27Å; C60-L62 VanDerWaalsContact O-N 3.12Å | ||
| 61 | G | 90.4 | Very high | 93.5 | Very high | 9 Ų | 9 | 41.9 Ų | 41.9 | 9% | 0.093 | 20% | 0.2 | C | C | . | . | S | Bend | trans | 72.2 | 8.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | E63 | G61-E63 WeakPolarHBondContact CA-OE2 3.42Å; G61-E63 PolarHBondContact N-OE1 2.81Å; G61-E63 PolarHBondContact N-OE2 3.2Å |
| 62 | L | 93.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -98 | 1.9 | 178.7 | -58.1 | 178.7 | 0 | 0 | 0 | 112.6 | I37 L40 L49 I59 C60 N64 L65 L71 L84 L87 | I37-L62 HydrophobicContact CG2-CD2 3.75Å; I37-L62 HydrophobicContact CG2-CG 4.31Å; L40-L62 HydrophobicContact CD1-CD2 4.11Å; L49-L62 HydrophobicContact CD2-CD2 3.74Å; I59-L62 HydrophobicContact CG2-CD1 3.55Å; I59-L62 HydrophobicContact CG2-CG 4.41Å; C60-L62 PolarHBondContact O-N 3.27Å; C60-L62 VanDerWaalsContact O-N 3.12Å; L62-N64 PolarHBondContact O-N 2.81Å; L62-L65 HydrophobicContact CB-CD1 4.29Å; L62-L65 HydrophobicContact CD2-CD1 3.57Å; L62-L65 WeakPolarHBondContact O-CB 3.23Å; L62-L65 PolarHBondContact O-N 3.03Å; L62-L71 HydrophobicContact CD1-CD2 3.63Å; L62-L84 HydrophobicContact CD1-CD2 4.11Å; L62-L87 HydrophobicContact CB-CD1 4.44Å; L62-L87 HydrophobicContact CB-CD2 4.38Å; L62-L87 HydrophobicContact CD1-CD1 4.21Å; L62-L87 WeakPolarHBondContact O-CD2 3.44Å | ||
| 63 | E | 87.5 | Confident | 93.5 | Very high | 77 Ų | 77 | 42.8 Ų | 42.8 | 36% | 0.36 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -23.6 | -163.2 | -54.5 | 78.4 | -169 | 0 | 0 | 113.7 | G61 N86 | G61-E63 WeakPolarHBondContact CA-OE2 3.42Å; G61-E63 PolarHBondContact N-OE1 2.81Å; G61-E63 PolarHBondContact N-OE2 3.2Å; E63-N86 VanDerWaalsContact O-CB 3.28Å; E63-N86 WeakPolarHBondContact O-CB 3.45Å; E63-N86 PolarHBondContact O-ND2 2.9Å |
| 64 | N | 90.1 | Very high | 93.5 | Very high | 74 Ų | 74 | 41.9 Ų | 41.9 | 40% | 0.396 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -1.1 | -179.1 | -71 | -5.4 | 0 | 0 | 0 | 113.9 | T41 T44 L62 Q66 | T41-N64 PolarHBondContact O-ND2 3.41Å; T44-N64 HydrophobicContact CG2-CB 4.37Å; L62-N64 PolarHBondContact O-N 2.81Å; N64-Q66 PolarHBondContact O-N 3.42Å |
| 65 | L | 93.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | -88.9 | 51.2 | -171.5 | -53.7 | -177.1 | 0 | 0 | 0 | 112.3 | L40 T43 L46 L49 L62 H67 L68 L87 | L40-L65 HydrophobicContact CB-CD1 4.15Å; L40-L65 HydrophobicContact CB-CD2 4.2Å; L40-L65 HydrophobicContact CD1-CD1 4Å; L40-L65 WeakPolarHBondContact O-CD2 3.23Å; T43-L65 WeakPolarHBondContact O-CD2 3.38Å; L46-L65 HydrophobicContact CB-CD2 4.31Å; L46-L65 HydrophobicContact CD2-CD1 4.29Å; L49-L65 HydrophobicContact CD2-CD1 4.19Å; L62-L65 HydrophobicContact CB-CD1 4.29Å; L62-L65 HydrophobicContact CD2-CD1 3.57Å; L62-L65 WeakPolarHBondContact O-CB 3.23Å; L62-L65 PolarHBondContact O-N 3.03Å; L65-H67 PolarHBondContact O-N 3.46Å; L65-H67 VanDerWaalsContact O-N 3.07Å; L65-L68 HydrophobicContact CB-CB 4.06Å; L65-L68 HydrophobicContact CB-CD2 4.48Å; L65-L68 HydrophobicContact CD1-CD2 4.34Å; L65-L68 WeakPolarHBondContact O-CB 3.48Å; L65-L68 PolarHBondContact O-N 3.44Å; L65-L87 HydrophobicContact CB-CD2 3.9Å; L65-L87 VanDerWaalsContact O-CD2 3.27Å; L65-L87 WeakPolarHBondContact O-CD2 3.31Å | ||
| 66 | Q | 89.4 | Confident | 93.5 | Very high | 109 Ų | 109 | 38.8 Ų | 38.8 | 51% | 0.509 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -22.4 | -173.1 | -63.4 | 178.2 | -2.8 | 0 | 0 | 113.7 | N64 C89 | N64-Q66 PolarHBondContact O-N 3.42Å; Q66-C89 WeakPolarHBondContact O-CB 3.34Å; Q66-C89 PolarHBondContact O-SG 3.18Å; Q66-C89 VanDerWaalsContact O-SG 3.39Å |
| 67 | H | 90.8 | Very high | 93.5 | Very high | 85 Ų | 85 | 43.5 Ų | 43.5 | 39% | 0.394 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 0.8 | 177.6 | -62.7 | -47.4 | 0 | 0 | 0 | 114.5 | T44 F45 L46 L65 R69 | T44-H67 PolarHBondContact O-CD2 3.32Å; T44-H67 VanDerWaalsContact O-CD2 3.32Å; F45-H67 AromaticContact CD1-CD2 3.92Å; L46-H67 CarbonylContact O-C 3.52Å; L46-H67 VanDerWaalsContact O-C 3.28Å; L65-H67 PolarHBondContact O-N 3.46Å; L65-H67 VanDerWaalsContact O-N 3.07Å; H67-R69 PolarHBondContact O-N 2.88Å |
| 68 | L | 93.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -64.5 | 125.6 | -178.9 | -166.3 | 68.8 | 0 | 0 | 0 | 110.4 | L46 L49 L65 L71 L87 C89 L90 | L46-L68 HydrophobicContact CD2-CD1 4.25Å; L46-L68 HydrophobicContact CG-CD1 4.15Å; L46-L68 WeakPolarHBondContact O-CA 3.4Å; L46-L68 PolarHBondContact O-N 3.27Å; L46-L68 VanDerWaalsContact O-N 3.12Å; L49-L68 HydrophobicContact CB-CD1 3.7Å; L49-L68 HydrophobicContact CB-CD2 4.44Å; L65-L68 HydrophobicContact CB-CB 4.06Å; L65-L68 HydrophobicContact CB-CD2 4.48Å; L65-L68 HydrophobicContact CD1-CD2 4.34Å; L65-L68 WeakPolarHBondContact O-CB 3.48Å; L65-L68 PolarHBondContact O-N 3.44Å; L68-L71 HydrophobicContact CD2-CB 3.99Å; L68-L71 HydrophobicContact CD2-CD1 4.26Å; L68-L71 HydrophobicContact CD2-CD2 4.34Å; L68-L71 HydrophobicContact CD2-CG 4.43Å; L68-L87 HydrophobicContact CB-CD2 4.36Å; L68-L87 HydrophobicContact CD2-CD1 4.38Å; L68-L87 HydrophobicContact CD2-CD2 4.4Å; L68-C89 CarbonylContact O-C 3.54Å; L68-L90 HydrophobicContact CD2-CD1 4.37Å; L68-L90 HydrophobicContact CG-CD1 4.31Å; L68-L90 WeakPolarHBondContact O-CA 3.48Å; L68-L90 PolarHBondContact O-N 3.39Å | ||
| 69 | R | 93.1 | Very high | 93.7 | Very high | 88 Ų | 88 | 39.1 Ų | 39.1 | 33% | 0.332 | 19% | 0.188 | S | C | . | . | trans | -106.3 | -36.9 | 179.4 | -71.3 | -171.8 | 167.2 | -128.6 | -7.4 | 112.8 | R47 H67 V91 R92 L196 | R47-R69 WeakPolarHBondContact O-CA 3.38Å; R47-R69 WeakPolarHBondContact O-CB 3.14Å; R47-R69 PolarHBondContact O-N 2.71Å; H67-R69 PolarHBondContact O-N 2.88Å; R69-V91 HydrophobicContact CB-CG2 4.35Å; R69-V91 HydrophobicContact CG-CG2 4.39Å; R69-V91 WeakPolarHBondContact O-CA 3.34Å; R69-V91 PolarHBondContact O-N 3.45Å; R69-R92 PolarHBondContact O-N 2.95Å; R69-L196 HydrophobicContact CB-CD2 4.41Å | ||
| 70 | V | 94.3 | Very high | 93.6 | Very high | 11 Ų | 11 | 45.4 Ų | 45.4 | 7% | 0.067 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 124.8 | -179.7 | -175 | 0 | 0 | 0 | 0 | 109 | R47 Y48 L49 R92 L196 | R47-V70 PolarHBondContact O-N 3.42Å; Y48-V70 HydrophobicContact CD2-CB 3.71Å; Y48-V70 HydrophobicContact CD2-CG1 3.79Å; Y48-V70 HydrophobicContact CD2-CG2 4.3Å; Y48-V70 HydrophobicContact CE2-CB 4.33Å; Y48-V70 HydrophobicContact CE2-CG1 3.88Å; L49-V70 PolarHBondContact N-O 3.48Å; V70-R92 WeakPolarHBondContact CA-O 3.17Å; V70-R92 HydrophobicContact CG1-CB 4.38Å; V70-R92 HydrophobicContact CG1-CG 4.46Å; V70-R92 HydrophobicContact CG2-CB 4.39Å; V70-L196 HydrophobicContact CG2-CD1 3.97Å; V70-L196 HydrophobicContact CG2-CG 4.24Å |
| 71 | L | 95.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 111.4 | 174.1 | 177.5 | 56.1 | 0 | 0 | 0 | 108.8 | L49 L62 L68 L73 L84 L87 L90 R92 L93 D94 | L49-L71 HydrophobicContact CB-CD1 4.17Å; L49-L71 HydrophobicContact CD2-CD1 3.9Å; L49-L71 HydrophobicContact CG-CD1 4.01Å; L49-L71 WeakPolarHBondContact O-CA 3.46Å; L62-L71 HydrophobicContact CD1-CD2 3.63Å; L68-L71 HydrophobicContact CD2-CB 3.99Å; L68-L71 HydrophobicContact CD2-CD1 4.26Å; L68-L71 HydrophobicContact CD2-CD2 4.34Å; L68-L71 HydrophobicContact CD2-CG 4.43Å; L71-L73 HydrophobicContact CD1-CD1 4.01Å; L71-L73 HydrophobicContact CD1-CD2 4.46Å; L71-L73 HydrophobicContact CD1-CG 3.89Å; L71-L73 HydrophobicContact CD2-CD1 3.8Å; L71-L73 HydrophobicContact CG-CD1 3.82Å; L71-L73 HydrophobicContact CG-CG 4.02Å; L71-L84 HydrophobicContact CD2-CD2 4Å; L71-L87 HydrophobicContact CD2-CD1 4.31Å; L71-L90 HydrophobicContact CB-CD1 3.72Å; L71-R92 PolarHBondContact N-O 3.07Å; L71-L93 HydrophobicContact CB-CD1 4.19Å; L71-L93 HydrophobicContact CD2-CD1 3.88Å; L71-L93 HydrophobicContact CG-CD1 4.05Å; L71-D94 PolarHBondContact O-N 3.42Å |
| 72 | N | 95.5 | Very high | 93.5 | Very high | 24 Ų | 24 | 45.6 Ų | 45.6 | 13% | 0.128 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 115.9 | 173 | -174.5 | 8.7 | 0 | 0 | 0 | 110 | L49 D50 L51 S52 S74 | L49-N72 PolarHBondContact O-N 3.06Å; D50-N72 HydrophobicContact CB-CB 4.31Å; D50-N72 VanDerWaalsContact CG-ND2 3.35Å; D50-N72 PolarHBondContact OD1-ND2 3.32Å; D50-N72 PolarHBondContact OD2-ND2 3.11Å; L51-N72 CarbonylContact C-O 3.25Å; L51-N72 PolarHBondContact N-O 3.1Å; S52-N72 PolarHBondContact N-O 3.5Å; S52-N72 PolarHBondContact OG-ND2 3.47Å; N72-S74 WeakPolarHBondContact OD1-CB 3.37Å; N72-S74 PolarHBondContact OD1-N 3.31Å; N72-S74 PolarHBondContact OD1-OG 2.96Å |
| 73 | L | 97 | Very high | 93.3 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -124.8 | 18.3 | 177.8 | -73 | 166.9 | 0 | 0 | 0 | 110.9 | I37 L51 I56 I59 L71 N76 I78 D94 V95 N98 | I37-L73 HydrophobicContact CD1-CD2 3.78Å; L51-L73 HydrophobicContact CB-CD2 3.8Å; L51-L73 HydrophobicContact CD1-CD2 4.06Å; I56-L73 HydrophobicContact CD1-CD2 3.81Å; I59-L73 HydrophobicContact CD1-CD1 3.95Å; I59-L73 HydrophobicContact CG1-CD1 4.05Å; L71-L73 HydrophobicContact CD1-CD1 4.01Å; L71-L73 HydrophobicContact CD1-CD2 4.46Å; L71-L73 HydrophobicContact CD1-CG 3.89Å; L71-L73 HydrophobicContact CD2-CD1 3.8Å; L71-L73 HydrophobicContact CG-CD1 3.82Å; L71-L73 HydrophobicContact CG-CG 4.02Å; L73-N76 WeakPolarHBondContact O-CB 3.49Å; L73-N76 PolarHBondContact O-ND2 3.33Å; L73-I78 HydrophobicContact CB-CD1 3.89Å; L73-I78 HydrophobicContact CD1-CD1 4.07Å; L73-I78 HydrophobicContact CD2-CD1 4.28Å; L73-I78 HydrophobicContact CG-CD1 4.32Å; L73-D94 CarbonylContact C-O 3.37Å; L73-D94 WeakPolarHBondContact CA-O 3.42Å; L73-D94 PolarHBondContact N-O 2.89Å; L73-V95 HydrophobicContact CB-CG1 4.03Å; L73-V95 HydrophobicContact CD1-CG1 4.36Å; L73-N98 PolarHBondContact O-ND2 2.89Å | ||
| 74 | S | 95.4 | Very high | 93.5 | Very high | 13 Ų | 13 | 43.3 Ų | 43.3 | 9% | 0.091 | 21% | 0.205 | C | C | . | . | trans | -59.7 | 154.5 | 179.9 | 56.7 | 0 | 0 | 0 | 0 | 112.9 | S52 S53 N72 N76 S96 | S52-S74 CarbonylContact C-O 3.49Å; S52-S74 WeakPolarHBondContact CA-O 3.33Å; S52-S74 VanDerWaalsContact CB-O 3.28Å; S52-S74 WeakPolarHBondContact CB-O 3.32Å; S52-S74 WeakPolarHBondContact CB-OG 3.47Å; S53-S74 PolarHBondContact N-O 3.32Å; N72-S74 WeakPolarHBondContact OD1-CB 3.37Å; N72-S74 PolarHBondContact OD1-N 3.31Å; N72-S74 PolarHBondContact OD1-OG 2.96Å; S74-N76 PolarHBondContact O-N 3.18Å; S74-N76 PolarHBondContact O-ND2 2.94Å; S74-S96 CarbonylContact C-O 3.57Å; S74-S96 WeakPolarHBondContact CA-O 3.4Å; S74-S96 WeakPolarHBondContact CB-OG 3.29Å | ||
| 75 | S | 96.1 | Very high | 93.4 | Very high | 49 Ų | 49 | 42.2 Ų | 42.2 | 34% | 0.343 | 20% | 0.199 | S | C | . | . | S | Bend | trans | 55.7 | 51.9 | 178.2 | -59.7 | 0 | 0 | 0 | 0 | 113 | S53 N54 S96 F97 | S53-S75 VanDerWaalsContact CA-O 3.23Å; S53-S75 WeakPolarHBondContact CA-O 3.38Å; S53-S75 PolarHBondContact N-O 3.49Å; N54-S75 PolarHBondContact N-O 3.41Å; S75-S96 PolarHBondContact N-O 2.81Å; S75-F97 WeakPolarHBondContact CA-O 3.48Å; S75-F97 PolarHBondContact N-O 2.92Å |
| 76 | N | 97.6 | Very high | 93.2 | Very high | 11 Ų | 11 | 45.7 Ų | 45.7 | 6% | 0.059 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -125.9 | -165 | 176 | -85.4 | -84.1 | 0 | 0 | 0 | 109.5 | L51 N54 Y55 I56 L73 S74 I78 F97 N98 | L51-N76 PolarHBondContact O-ND2 3.5Å; N54-N76 WeakPolarHBondContact CA-OD1 3.49Å; N54-N76 VanDerWaalsContact CB-OD1 3.24Å; N54-N76 WeakPolarHBondContact CB-OD1 3.25Å; N54-N76 PolarHBondContact O-OD1 2.92Å; Y55-N76 PolarHBondContact N-OD1 2.81Å; I56-N76 HydrophobicContact CB-CB 4.32Å; I56-N76 VanDerWaalsContact CB-OD1 3.25Å; I56-N76 WeakPolarHBondContact CB-OD1 3.22Å; I56-N76 WeakPolarHBondContact CG1-OD1 3.38Å; I56-N76 PolarHBondContact N-OD1 3.44Å; L73-N76 WeakPolarHBondContact O-CB 3.49Å; L73-N76 PolarHBondContact O-ND2 3.33Å; S74-N76 PolarHBondContact O-N 3.18Å; S74-N76 PolarHBondContact O-ND2 2.94Å; N76-I78 HydrophobicContact CB-CD1 4.31Å; N76-I78 HydrophobicContact CB-CG1 4.24Å; N76-F97 PolarHBondContact N-O 3.46Å; N76-N98 WeakPolarHBondContact CA-OD1 3.33Å; N76-N98 WeakPolarHBondContact CB-OD1 3.26Å; N76-N98 PolarHBondContact O-OD1 3.42Å |
| 77 | K | 96 | Very high | 93.4 | Very high | 99 Ų | 99 | 40.6 Ų | 40.6 | 43% | 0.43 | 19% | 0.194 | S | C | . | . | trans | -119.8 | 30.9 | -178.7 | -62.2 | -176.6 | -179.7 | 178 | 0 | 112.3 | I56 T57 R79 N98 | I56-K77 CarbonylContact O-C 3.45Å; I56-K77 VanDerWaalsContact O-C 3.3Å; I56-K77 WeakPolarHBondContact O-CA 3.49Å; I56-K77 PolarHBondContact O-N 3.49Å; T57-K77 HydrophobicContact CG2-CB 4.07Å; K77-R79 PolarHBondContact O-N 3.15Å; K77-N98 PolarHBondContact N-OD1 2.86Å | ||
| 78 | I | 97.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -73 | 126.9 | -176.3 | -58.8 | 167.7 | 0 | 0 | 0 | 109.4 | I56 I59 L73 N76 F80 N98 E99 I100 | I56-I78 HydrophobicContact CG2-CD1 4.31Å; I56-I78 HydrophobicContact CG2-CG1 4.17Å; I56-I78 PolarHBondContact O-N 3.4Å; I59-I78 HydrophobicContact CD1-CD1 4.44Å; I59-I78 HydrophobicContact CD1-CG2 4.37Å; I59-I78 HydrophobicContact CG1-CD1 3.98Å; I59-I78 HydrophobicContact CG1-CG2 4.12Å; L73-I78 HydrophobicContact CB-CD1 3.89Å; L73-I78 HydrophobicContact CD1-CD1 4.07Å; L73-I78 HydrophobicContact CD2-CD1 4.28Å; L73-I78 HydrophobicContact CG-CD1 4.32Å; N76-I78 HydrophobicContact CB-CD1 4.31Å; N76-I78 HydrophobicContact CB-CG1 4.24Å; I78-F80 WeakPolarHBondContact CG2-O 3.48Å; I78-N98 HydrophobicContact CB-CB 4.41Å; I78-N98 VanDerWaalsContact CB-OD1 3.22Å; I78-N98 WeakPolarHBondContact CB-OD1 3.37Å; I78-N98 WeakPolarHBondContact CG1-OD1 3.42Å; I78-N98 PolarHBondContact N-OD1 3.08Å; I78-E99 CarbonylContact O-C 3.35Å; I78-E99 VanDerWaalsContact O-C 3.25Å; I78-E99 WeakPolarHBondContact O-CA 3.4Å; I78-E99 PolarHBondContact O-N 2.98Å; I78-I100 HydrophobicContact CG2-CD1 4.49Å; I78-I100 HydrophobicContact CG2-CG1 4.34Å; I78-I100 WeakPolarHBondContact O-CG1 3.45Å; I78-I100 PolarHBondContact O-N 3.4Å | ||
| 79 | R | 94.2 | Very high | 93.2 | Very high | 139 Ų | 139 | 41.8 Ų | 41.8 | 53% | 0.525 | 21% | 0.206 | S | C | . | . | trans | -100.3 | -25.4 | 178.5 | -71.7 | 178.1 | 177 | 174 | 1.9 | 114.6 | K77 E99 | K77-R79 PolarHBondContact O-N 3.15Å; R79-E99 HydrophobicContact CG-CB 3.67Å; R79-E99 IonicContact CZ-OE2 2.7Å; R79-E99 IonicContact NE-OE2 3.45Å; R79-E99 PolarHBondContact NE-OE2 3.05Å; R79-E99 IonicContact NH2-OE2 3.23Å; R79-E99 PolarHBondContact NH2-OE2 3.22Å | ||
| 80 | F | 92.9 | Very high | 93.3 | Very high | 131 Ų | 131 | 37.7 Ų | 37.7 | 58% | 0.575 | 19% | 0.191 | S | C | * | . | B | Isolated β-bridge | trans | -140.6 | 133.2 | -174.1 | -55.2 | -74.7 | 0 | 0 | 0 | 109.7 | I78 | I78-F80 WeakPolarHBondContact CG2-O 3.48Å |
| 81 | I | 92.5 | Very high | 93.2 | Very high | 8 Ų | 8 | 37.9 Ų | 37.9 | 4% | 0.041 | 19% | 0.192 | C | C | . | . | trans | -79 | 125.8 | 167.3 | -56.2 | 176.1 | 0 | 0 | 0 | 107.3 | L84 I100 L103 G105 L106 | I81-L84 HydrophobicContact CG2-CD1 3.49Å; I81-L84 VanDerWaalsContact CG2-CD1 3.49Å; I81-L84 HydrophobicContact CG2-CG 4.18Å; I81-I100 HydrophobicContact CD1-CD1 4.24Å; I81-I100 HydrophobicContact CG1-CD1 3.92Å; I81-I100 HydrophobicContact CG1-CG2 4.35Å; I81-L103 HydrophobicContact CD1-CD2 3.74Å; I81-G105 VanDerWaalsContact O-CA 3.32Å; I81-G105 WeakPolarHBondContact O-CA 3.29Å; I81-L106 HydrophobicContact CD1-CD1 3.98Å; I81-L106 HydrophobicContact CD1-CD2 4.14Å; I81-L106 HydrophobicContact CD1-CG 3.89Å; I81-L106 HydrophobicContact CG2-CD2 3.96Å; I81-L106 HydrophobicContact CG2-CG 4.27Å | ||
| 82 | D | 88 | Confident | 93 | Very high | 40 Ų | 40 | 38.8 Ų | 38.8 | 21% | 0.214 | 20% | 0.195 | C | C | . | . | trans | -157.9 | 172.6 | 177 | -166.3 | 15.9 | 0 | 0 | 0 | 108.4 | R58 I59 L84 K108 | R58-D82 IonicContact CZ-OD2 3.27Å; R58-D82 IonicContact NH2-OD2 3.59Å; R58-D82 PolarHBondContact NH2-OD2 3.37Å; I59-D82 WeakPolarHBondContact CB-O 3.43Å; I59-D82 WeakPolarHBondContact CG2-O 3.37Å; D82-L84 PolarHBondContact O-N 3.37Å; D82-L84 VanDerWaalsContact O-N 3.12Å; D82-K108 IonicContact OD1-NZ 3.94Å; D82-K108 PolarHBondContact OD1-NZ 2.92Å | ||
| 83 | S | 87.9 | Confident | 93 | Very high | 26 Ų | 26 | 37.7 Ų | 37.7 | 18% | 0.182 | 19% | 0.189 | C | C | . | . | S | Bend | trans | 59.4 | 22.3 | 173.3 | -53.8 | 0 | 0 | 0 | 0 | 116.3 | I59 | I59-S83 PolarHBondContact O-OG 3.25Š|
| 84 | L | 91.8 | Very high | 93 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | trans | -91.7 | -1.9 | 174.2 | -58.7 | -177.1 | 0 | 0 | 0 | 112.8 | I59 L62 L71 I81 D82 N86 L87 L93 L106 L109 | I59-L84 HydrophobicContact CD1-CD2 4.29Å; I59-L84 HydrophobicContact CG2-CD2 3.85Å; L62-L84 HydrophobicContact CD1-CD2 4.11Å; L71-L84 HydrophobicContact CD2-CD2 4Å; I81-L84 HydrophobicContact CG2-CD1 3.49Å; I81-L84 VanDerWaalsContact CG2-CD1 3.49Å; I81-L84 HydrophobicContact CG2-CG 4.18Å; D82-L84 PolarHBondContact O-N 3.37Å; D82-L84 VanDerWaalsContact O-N 3.12Å; L84-N86 PolarHBondContact O-N 3.43Å; L84-L87 HydrophobicContact CB-CD1 4.2Å; L84-L87 HydrophobicContact CD2-CD1 3.62Å; L84-L87 VanDerWaalsContact O-CB 3.3Å; L84-L87 WeakPolarHBondContact O-CB 3.36Å; L84-L87 WeakPolarHBondContact O-CG 3.48Å; L84-L87 PolarHBondContact O-N 2.96Å; L84-L93 HydrophobicContact CD1-CD2 3.79Å; L84-L106 HydrophobicContact CD1-CD2 4.34Å; L84-L109 HydrophobicContact CB-CD1 4.16Å; L84-L109 HydrophobicContact CB-CD2 4.01Å; L84-L109 HydrophobicContact CB-CG 4.45Å; L84-L109 HydrophobicContact CD1-CD1 4.13Å; L84-L109 WeakPolarHBondContact O-CD2 3.25Å | ||
| 85 | D | 88.8 | Confident | 93 | Very high | 52 Ų | 52 | 38.3 Ų | 38.3 | 28% | 0.278 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -21.8 | -160.8 | -45.1 | -5.1 | 0 | 0 | 0 | 114.8 | K108 Y114 | D85-K108 WeakPolarHBondContact OD1-CD 3.4Å; D85-K108 IonicContact OD1-NZ 3.83Å; D85-K108 PolarHBondContact OD1-NZ 2.85Å; D85-K108 VanDerWaalsContact OD2-CD 3.27Å; D85-K108 WeakPolarHBondContact OD2-CD 3.21Å; D85-K108 IonicContact OD2-NZ 2.82Å; D85-K108 PolarHBondContact OD2-NZ 3.31Å; D85-Y114 PolarHBondContact O-OH 3.19Å; D85-Y114 VanDerWaalsContact O-OH 3.1Å |
| 86 | N | 89.8 | Confident | 93 | Very high | 72 Ų | 72 | 36.1 Ų | 36.1 | 39% | 0.385 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -0.8 | 179.1 | -68.5 | -14.2 | 0 | 0 | 0 | 113.6 | E63 L84 N88 | E63-N86 VanDerWaalsContact O-CB 3.28Å; E63-N86 WeakPolarHBondContact O-CB 3.45Å; E63-N86 PolarHBondContact O-ND2 2.9Å; L84-N86 PolarHBondContact O-N 3.43Å; N86-N88 PolarHBondContact O-N 3.07Å |
| 87 | L | 92.8 | Very high | 92.9 | Very high | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.016 | 19% | 0.189 | C | C | . | . | trans | -86.2 | 55.7 | -172.7 | -54.4 | -179 | 0 | 0 | 0 | 111.8 | L62 L65 L68 L71 L84 C89 L90 | L62-L87 HydrophobicContact CB-CD1 4.44Å; L62-L87 HydrophobicContact CB-CD2 4.38Å; L62-L87 HydrophobicContact CD1-CD1 4.21Å; L62-L87 WeakPolarHBondContact O-CD2 3.44Å; L65-L87 HydrophobicContact CB-CD2 3.9Å; L65-L87 VanDerWaalsContact O-CD2 3.27Å; L65-L87 WeakPolarHBondContact O-CD2 3.31Å; L68-L87 HydrophobicContact CB-CD2 4.36Å; L68-L87 HydrophobicContact CD2-CD1 4.38Å; L68-L87 HydrophobicContact CD2-CD2 4.4Å; L71-L87 HydrophobicContact CD2-CD1 4.31Å; L84-L87 HydrophobicContact CB-CD1 4.2Å; L84-L87 HydrophobicContact CD2-CD1 3.62Å; L84-L87 VanDerWaalsContact O-CB 3.3Å; L84-L87 WeakPolarHBondContact O-CB 3.36Å; L84-L87 WeakPolarHBondContact O-CG 3.48Å; L84-L87 PolarHBondContact O-N 2.96Å; L87-C89 PolarHBondContact O-N 3.17Å; L87-L90 HydrophobicContact CB-CB 3.96Å; L87-L90 HydrophobicContact CB-CD2 4.41Å; L87-L90 HydrophobicContact CD1-CD2 4.21Å; L87-L90 WeakPolarHBondContact O-CB 3.3Å; L87-L90 PolarHBondContact O-N 3.41Å | ||
| 88 | N | 89.8 | Confident | 92.9 | Very high | 68 Ų | 68 | 34.8 Ų | 34.8 | 36% | 0.364 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -33.1 | -173.5 | -61 | -8 | 0 | 0 | 0 | 113 | N86 Y114 S115 | N86-N88 PolarHBondContact O-N 3.07Å; N88-Y114 VanDerWaalsContact OD1-CE1 3.23Å; N88-Y114 WeakPolarHBondContact OD1-CE1 3.44Å; N88-S115 WeakPolarHBondContact O-CB 3.25Å; N88-S115 PolarHBondContact O-N 2.88Å; N88-S115 PolarHBondContact O-OG 3.3Å |
| 89 | C | 91.4 | Very high | 92.9 | Very high | 42 Ų | 42 | 38.2 Ų | 38.2 | 28% | 0.284 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 1.8 | 177.2 | -66.2 | 0 | 0 | 0 | 0 | 114.9 | Q66 L68 L87 V91 | Q66-C89 WeakPolarHBondContact O-CB 3.34Å; Q66-C89 PolarHBondContact O-SG 3.18Å; Q66-C89 VanDerWaalsContact O-SG 3.39Å; L68-C89 CarbonylContact O-C 3.54Å; L87-C89 PolarHBondContact O-N 3.17Å; C89-V91 WeakPolarHBondContact O-CG2 3.44Å; C89-V91 PolarHBondContact O-N 2.65Å |
| 90 | L | 93.9 | Very high | 93 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | trans | -67 | 119.7 | -177.5 | -170.5 | 69.6 | 0 | 0 | 0 | 110 | L68 L71 L87 L93 S115 L116 | L68-L90 HydrophobicContact CD2-CD1 4.37Å; L68-L90 HydrophobicContact CG-CD1 4.31Å; L68-L90 WeakPolarHBondContact O-CA 3.48Å; L68-L90 PolarHBondContact O-N 3.39Å; L71-L90 HydrophobicContact CB-CD1 3.72Å; L87-L90 HydrophobicContact CB-CB 3.96Å; L87-L90 HydrophobicContact CB-CD2 4.41Å; L87-L90 HydrophobicContact CD1-CD2 4.21Å; L87-L90 WeakPolarHBondContact O-CB 3.3Å; L87-L90 PolarHBondContact O-N 3.41Å; L90-L93 HydrophobicContact CD2-CB 4.22Å; L90-L93 HydrophobicContact CD2-CD1 4.43Å; L90-S115 CarbonylContact O-C 3.26Å; L90-L116 HydrophobicContact CD2-CD1 4.23Å; L90-L116 HydrophobicContact CG-CD1 4.19Å; L90-L116 WeakPolarHBondContact O-CA 3.28Å; L90-L116 PolarHBondContact O-N 2.85Å | ||
| 91 | V | 92.4 | Very high | 93 | Very high | 15 Ų | 15 | 28.8 Ų | 28.8 | 9% | 0.091 | 16% | 0.155 | C | C | . | . | trans | -101.4 | -40.1 | -179.2 | -176 | 0 | 0 | 0 | 0 | 111 | R69 C89 S115 T117 T118 D195 | R69-V91 HydrophobicContact CB-CG2 4.35Å; R69-V91 HydrophobicContact CG-CG2 4.39Å; R69-V91 WeakPolarHBondContact O-CA 3.34Å; R69-V91 PolarHBondContact O-N 3.45Å; C89-V91 WeakPolarHBondContact O-CG2 3.44Å; C89-V91 PolarHBondContact O-N 2.65Å; V91-S115 WeakPolarHBondContact CA-O 3.49Å; V91-T117 PolarHBondContact O-N 2.76Å; V91-T118 PolarHBondContact O-N 3.03Å; V91-D195 HydrophobicContact CG1-CB 4.27Å | ||
| 92 | R | 93.1 | Very high | 93.1 | Very high | 19 Ų | 19 | 29.8 Ų | 29.8 | 7% | 0.072 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 125.8 | -178.6 | 178.5 | 167.2 | -76.7 | 148.4 | -4.2 | 111.4 | R69 V70 L71 T118 I190 D191 D195 | R69-R92 PolarHBondContact O-N 2.95Å; V70-R92 WeakPolarHBondContact CA-O 3.17Å; V70-R92 HydrophobicContact CG1-CB 4.38Å; V70-R92 HydrophobicContact CG1-CG 4.46Å; V70-R92 HydrophobicContact CG2-CB 4.39Å; L71-R92 PolarHBondContact N-O 3.07Å; R92-T118 WeakPolarHBondContact CA-O 3.34Å; R92-T118 HydrophobicContact CG-CG2 4.12Å; R92-T118 PolarHBondContact NH2-OG1 3.02Å; R92-I190 VanDerWaalsContact NH2-CG2 3.34Å; R92-D191 PolarHBondContact NH1-O 2.91Å; R92-D191 PolarHBondContact NH2-O 2.89Å; R92-D195 IonicContact CZ-OD2 2.81Å; R92-D195 IonicContact NE-OD2 2.68Å; R92-D195 IonicContact NH1-OD2 3.79Å; R92-D195 PolarHBondContact NH1-OD2 3.38Å; R92-D195 IonicContact NH2-OD2 2.7Å |
| 93 | L | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 116.2 | 172.7 | 177.9 | 64.5 | 0 | 0 | 0 | 109 | L71 L84 L90 V95 L106 L116 T118 I119 I120 | L71-L93 HydrophobicContact CB-CD1 4.19Å; L71-L93 HydrophobicContact CD2-CD1 3.88Å; L71-L93 HydrophobicContact CG-CD1 4.05Å; L84-L93 HydrophobicContact CD1-CD2 3.79Å; L90-L93 HydrophobicContact CD2-CB 4.22Å; L90-L93 HydrophobicContact CD2-CD1 4.43Å; L93-V95 HydrophobicContact CD1-CG1 3.88Å; L93-V95 HydrophobicContact CD2-CG2 4.48Å; L93-V95 HydrophobicContact CG-CG1 4.1Å; L93-V95 HydrophobicContact CG-CG2 4.33Å; L93-L106 HydrophobicContact CD2-CD2 4.1Å; L93-L116 HydrophobicContact CB-CD1 3.92Å; L93-T118 PolarHBondContact N-O 3.37Å; L93-I119 WeakPolarHBondContact O-CA 3.39Å; L93-I120 PolarHBondContact O-N 2.9Å |
| 94 | D | 95.5 | Very high | 93.7 | Very high | 26 Ų | 26 | 30 Ų | 30 | 14% | 0.139 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 119.1 | 167.9 | -166.4 | -18.8 | 0 | 0 | 0 | 110 | L71 L73 S96 I120 | L71-D94 PolarHBondContact O-N 3.42Å; L73-D94 CarbonylContact C-O 3.37Å; L73-D94 WeakPolarHBondContact CA-O 3.42Å; L73-D94 PolarHBondContact N-O 2.89Å; D94-S96 VanDerWaalsContact OD1-CB 3.29Å; D94-S96 WeakPolarHBondContact OD1-CB 3.29Å; D94-S96 PolarHBondContact OD1-N 3.35Å; D94-S96 PolarHBondContact OD1-OG 3.08Å; D94-I120 HydrophobicContact CB-CB 4.05Å; D94-I120 HydrophobicContact CB-CD1 4.37Å; D94-I120 WeakPolarHBondContact OD1-CG2 3.14Å |
| 95 | V | 96.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -133.6 | 26.8 | 176.7 | -75.6 | 0 | 0 | 0 | 0 | 110 | L73 L93 N98 I100 I120 L121 N124 | L73-V95 HydrophobicContact CB-CG1 4.03Å; L73-V95 HydrophobicContact CD1-CG1 4.36Å; L93-V95 HydrophobicContact CD1-CG1 3.88Å; L93-V95 HydrophobicContact CD2-CG2 4.48Å; L93-V95 HydrophobicContact CG-CG1 4.1Å; L93-V95 HydrophobicContact CG-CG2 4.33Å; V95-N98 PolarHBondContact O-ND2 2.9Å; V95-I100 HydrophobicContact CB-CD1 3.77Å; V95-I100 HydrophobicContact CG1-CD1 4.45Å; V95-I100 HydrophobicContact CG2-CD1 3.92Å; V95-I120 CarbonylContact C-O 3.34Å; V95-I120 WeakPolarHBondContact CG2-O 3.45Å; V95-I120 PolarHBondContact N-O 3.05Å; V95-L121 HydrophobicContact CG2-CD2 3.52Å; V95-L121 HydrophobicContact CG2-CG 4.01Å; V95-N124 PolarHBondContact O-ND2 3.18Å | ||
| 96 | S | 95.1 | Very high | 93.9 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 2% | 0.021 | 16% | 0.157 | C | C | . | . | trans | -61.8 | 160.3 | 174.2 | 56.5 | 0 | 0 | 0 | 0 | 112.6 | S74 S75 D94 N98 I120 Q122 | S74-S96 CarbonylContact C-O 3.57Å; S74-S96 WeakPolarHBondContact CA-O 3.4Å; S74-S96 WeakPolarHBondContact CB-OG 3.29Å; S75-S96 PolarHBondContact N-O 2.81Å; D94-S96 VanDerWaalsContact OD1-CB 3.29Å; D94-S96 WeakPolarHBondContact OD1-CB 3.29Å; D94-S96 PolarHBondContact OD1-N 3.35Å; D94-S96 PolarHBondContact OD1-OG 3.08Å; S96-N98 PolarHBondContact O-N 2.91Å; S96-N98 PolarHBondContact O-ND2 3.4Å; S96-I120 PolarHBondContact N-O 3.46Å; S96-Q122 CarbonylContact C-O 3.54Å; S96-Q122 WeakPolarHBondContact CA-O 3.49Å; S96-Q122 VanDerWaalsContact CB-CD 3.45Å; S96-Q122 VanDerWaalsContact CB-NE2 3.26Å; S96-Q122 WeakPolarHBondContact CB-O 3.46Å; S96-Q122 PolarHBondContact OG-NE2 2.98Å | ||
| 97 | F | 95.5 | Very high | 93.9 | Very high | 75 Ų | 75 | 27.7 Ų | 27.7 | 33% | 0.329 | 15% | 0.152 | S | C | . | . | S | Bend | trans | 52.4 | 54.5 | 178.8 | -55.6 | -81.7 | 0 | 0 | 0 | 112.9 | S75 N76 Q122 G123 D154 | S75-F97 WeakPolarHBondContact CA-O 3.48Å; S75-F97 PolarHBondContact N-O 2.92Å; N76-F97 PolarHBondContact N-O 3.46Å; F97-Q122 HydrophobicContact CE2-CG 4.25Å; F97-Q122 HydrophobicContact CZ-CG 4.44Å; F97-Q122 PolarHBondContact N-O 2.76Å; F97-G123 VanDerWaalsContact CA-O 3.29Å; F97-G123 WeakPolarHBondContact CA-O 3.49Å; F97-G123 PolarHBondContact N-O 3.23Å; F97-D154 HydrophobicContact CE1-CB 3.81Å; F97-D154 VanDerWaalsContact CE1-OD2 3.32Å; F97-D154 WeakPolarHBondContact CE1-OD2 3.49Å; F97-D154 HydrophobicContact CZ-CB 3.94Å; F97-D154 VanDerWaalsContact CZ-OD2 3.29Å; F97-D154 WeakPolarHBondContact CZ-OD2 3.43Å |
| 98 | N | 97.1 | Very high | 93.7 | Very high | 8 Ų | 8 | 31.8 Ų | 31.8 | 4% | 0.043 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -133.9 | -178 | 179.4 | -87.4 | -87.7 | 0 | 0 | 0 | 109.5 | L73 N76 K77 I78 V95 S96 I100 G123 N124 | L73-N98 PolarHBondContact O-ND2 2.89Å; N76-N98 WeakPolarHBondContact CA-OD1 3.33Å; N76-N98 WeakPolarHBondContact CB-OD1 3.26Å; N76-N98 PolarHBondContact O-OD1 3.42Å; K77-N98 PolarHBondContact N-OD1 2.86Å; I78-N98 HydrophobicContact CB-CB 4.41Å; I78-N98 VanDerWaalsContact CB-OD1 3.22Å; I78-N98 WeakPolarHBondContact CB-OD1 3.37Å; I78-N98 WeakPolarHBondContact CG1-OD1 3.42Å; I78-N98 PolarHBondContact N-OD1 3.08Å; V95-N98 PolarHBondContact O-ND2 2.9Å; S96-N98 PolarHBondContact O-N 2.91Å; S96-N98 PolarHBondContact O-ND2 3.4Å; N98-I100 HydrophobicContact CB-CD1 4.29Å; N98-I100 HydrophobicContact CB-CG1 4.12Å; N98-G123 PolarHBondContact N-O 3.43Å; N98-N124 WeakPolarHBondContact CA-OD1 3.37Å; N98-N124 WeakPolarHBondContact CB-OD1 3.34Å; N98-N124 PolarHBondContact O-OD1 3.37Å; N98-N124 VanDerWaalsContact O-OD1 3.1Å |
| 99 | E | 96 | Very high | 93.7 | Very high | 71 Ų | 71 | 28.7 Ų | 28.7 | 33% | 0.332 | 15% | 0.153 | S | C | . | . | trans | -100.3 | 27.1 | -178.7 | -64 | -179.7 | -151.4 | 0 | 0 | 111.9 | I78 R79 T101 | I78-E99 CarbonylContact O-C 3.35Å; I78-E99 VanDerWaalsContact O-C 3.25Å; I78-E99 WeakPolarHBondContact O-CA 3.4Å; I78-E99 PolarHBondContact O-N 2.98Å; R79-E99 HydrophobicContact CG-CB 3.67Å; R79-E99 IonicContact CZ-OE2 2.7Å; R79-E99 IonicContact NE-OE2 3.45Å; R79-E99 PolarHBondContact NE-OE2 3.05Å; R79-E99 IonicContact NH2-OE2 3.23Å; R79-E99 PolarHBondContact NH2-OE2 3.22Å; E99-T101 PolarHBondContact O-N 3.23Å | ||
| 100 | I | 96.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -72.3 | 119.6 | -172.3 | -57.4 | 170.3 | 0 | 0 | 0 | 110.2 | I78 I81 V95 N98 L103 L121 N124 Q125 | I78-I100 HydrophobicContact CG2-CD1 4.49Å; I78-I100 HydrophobicContact CG2-CG1 4.34Å; I78-I100 WeakPolarHBondContact O-CG1 3.45Å; I78-I100 PolarHBondContact O-N 3.4Å; I81-I100 HydrophobicContact CD1-CD1 4.24Å; I81-I100 HydrophobicContact CG1-CD1 3.92Å; I81-I100 HydrophobicContact CG1-CG2 4.35Å; V95-I100 HydrophobicContact CB-CD1 3.77Å; V95-I100 HydrophobicContact CG1-CD1 4.45Å; V95-I100 HydrophobicContact CG2-CD1 3.92Å; N98-I100 HydrophobicContact CB-CD1 4.29Å; N98-I100 HydrophobicContact CB-CG1 4.12Å; I100-L103 HydrophobicContact CG2-CD2 4.3Å; I100-L121 HydrophobicContact CD1-CD2 4.23Å; I100-N124 HydrophobicContact CB-CB 4.3Å; I100-N124 WeakPolarHBondContact CB-OD1 3.33Å; I100-N124 WeakPolarHBondContact CG1-OD1 3.32Å; I100-N124 PolarHBondContact N-OD1 2.89Å; I100-Q125 CarbonylContact O-C 3.54Å; I100-Q125 WeakPolarHBondContact O-CA 3.38Å; I100-Q125 PolarHBondContact O-N 3.37Å | ||
| 101 | T | 93.8 | Very high | 93 | Very high | 73 Ų | 73 | 30.7 Ų | 30.7 | 45% | 0.448 | 17% | 0.165 | S | C | . | . | trans | -101.4 | -19.3 | 174.9 | 51.5 | 0 | 0 | 0 | 0 | 112.9 | E99 Q125 | E99-T101 PolarHBondContact O-N 3.23Å; T101-Q125 HydrophobicContact CG2-CB 3.84Å | ||
| 102 | S | 93.1 | Very high | 92.4 | Very high | 29 Ų | 29 | 35.8 Ų | 35.8 | 20% | 0.203 | 20% | 0.198 | C | C | . | . | B | Isolated β-bridge | trans | -145.2 | 132.4 | -169.1 | -175.3 | 0 | 0 | 0 | 0 | 113.7 | V104 H131 | S102-V104 WeakPolarHBondContact OG-CG2 3.42Å; S102-H131 WeakPolarHBondContact CA-NE2 3.45Å; S102-H131 PolarHBondContact OG-CE1 3.06Å; S102-H131 PolarHBondContact OG-NE2 3.25Å |
| 103 | L | 95.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -95.1 | 8.9 | -178.5 | -62.9 | -175.9 | 0 | 0 | 0 | 114.3 | I81 I100 G105 L106 L121 I126 H131 I132 C135 L136 | I81-L103 HydrophobicContact CD1-CD2 3.74Å; I100-L103 HydrophobicContact CG2-CD2 4.3Å; L103-G105 PolarHBondContact O-N 3.45Å; L103-G105 VanDerWaalsContact O-N 3.09Å; L103-L106 HydrophobicContact CB-CD1 4.25Å; L103-L106 HydrophobicContact CD2-CD1 4.02Å; L103-L106 WeakPolarHBondContact O-CB 3.4Å; L103-L106 PolarHBondContact O-N 3.23Å; L103-L121 HydrophobicContact CD1-CD1 4.19Å; L103-L121 HydrophobicContact CD2-CD1 3.8Å; L103-L121 HydrophobicContact CD2-CD2 4.08Å; L103-I126 HydrophobicContact CD1-CD1 4.06Å; L103-I126 HydrophobicContact CD2-CD1 3.75Å; L103-I126 HydrophobicContact CG-CD1 3.93Å; L103-H131 PolarHBondContact N-NE2 2.91Å; L103-I132 HydrophobicContact CD1-CG1 4.09Å; L103-C135 HydrophobicContact CB-CB 3.62Å; L103-L136 HydrophobicContact CD1-CD1 4.43Å; L103-L136 HydrophobicContact CD1-CD2 4.21Å; L103-L136 HydrophobicContact CD1-CG 4.32Å | ||
| 104 | V | 93.2 | Very high | 91.9 | Very high | 71 Ų | 71 | 39.7 Ų | 39.7 | 43% | 0.43 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -55.7 | -33.1 | -173.2 | 172.4 | 0 | 0 | 0 | 0 | 113.3 | S102 L106 K107 | S102-V104 WeakPolarHBondContact OG-CG2 3.42Å; V104-L106 PolarHBondContact O-N 3.15Å; V104-K107 HydrophobicContact CG1-CD 4.43Å; V104-K107 VanDerWaalsContact O-CB 3.24Å; V104-K107 WeakPolarHBondContact O-CB 3.27Å; V104-K107 WeakPolarHBondContact O-CG 3.3Å; V104-K107 PolarHBondContact O-N 2.86Å; V104-K107 VanDerWaalsContact O-N 3.09Å |
| 105 | G | 90.7 | Very high | 91.6 | Very high | 13 Ų | 13 | 40.6 Ų | 40.6 | 13% | 0.134 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -61.5 | -28.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | I81 L103 K107 K108 | I81-G105 VanDerWaalsContact O-CA 3.32Å; I81-G105 WeakPolarHBondContact O-CA 3.29Å; L103-G105 PolarHBondContact O-N 3.45Å; L103-G105 VanDerWaalsContact O-N 3.09Å; G105-K107 PolarHBondContact O-N 3.35Å; G105-K108 WeakPolarHBondContact O-CB 3.45Å; G105-K108 PolarHBondContact O-N 2.84Å; G105-K108 VanDerWaalsContact O-N 3.14Å |
| 106 | L | 93.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -66.1 | -18.9 | 176.4 | -64.3 | 176.1 | 0 | 0 | 0 | 112.6 | I81 L84 L93 L103 V104 K108 L109 L116 I119 L136 L139 | I81-L106 HydrophobicContact CD1-CD1 3.98Å; I81-L106 HydrophobicContact CD1-CD2 4.14Å; I81-L106 HydrophobicContact CD1-CG 3.89Å; I81-L106 HydrophobicContact CG2-CD2 3.96Å; I81-L106 HydrophobicContact CG2-CG 4.27Å; L84-L106 HydrophobicContact CD1-CD2 4.34Å; L93-L106 HydrophobicContact CD2-CD2 4.1Å; L103-L106 HydrophobicContact CB-CD1 4.25Å; L103-L106 HydrophobicContact CD2-CD1 4.02Å; L103-L106 WeakPolarHBondContact O-CB 3.4Å; L103-L106 PolarHBondContact O-N 3.23Å; V104-L106 PolarHBondContact O-N 3.15Å; L106-K108 PolarHBondContact O-N 3.41Å; L106-K108 VanDerWaalsContact O-N 3.14Å; L106-L109 HydrophobicContact CD2-CD1 3.92Å; L106-L109 WeakPolarHBondContact O-CB 3.45Å; L106-L109 PolarHBondContact O-N 3.28Å; L106-L116 HydrophobicContact CD2-CD2 4.43Å; L106-I119 HydrophobicContact CD1-CD1 4.11Å; L106-L136 HydrophobicContact CD1-CD2 3.57Å; L106-L139 HydrophobicContact CB-CD1 4.47Å |
| 107 | K | 90.5 | Very high | 91.3 | Very high | 63 Ų | 63 | 42.7 Ų | 42.7 | 27% | 0.274 | 25% | 0.25 | S | S | . | . | G | 310 helix | trans | -61.5 | -19.6 | 173.2 | -62.1 | -176.3 | 174 | 176.5 | 0 | 113.4 | V104 G105 L109 F110 E134 | V104-K107 HydrophobicContact CG1-CD 4.43Å; V104-K107 VanDerWaalsContact O-CB 3.24Å; V104-K107 WeakPolarHBondContact O-CB 3.27Å; V104-K107 WeakPolarHBondContact O-CG 3.3Å; V104-K107 PolarHBondContact O-N 2.86Å; V104-K107 VanDerWaalsContact O-N 3.09Å; G105-K107 PolarHBondContact O-N 3.35Å; K107-L109 VanDerWaalsContact C-N 3.32Å; K107-F110 HydrophobicContact CB-CD2 4.22Å; K107-F110 HydrophobicContact CB-CE1 4.38Å; K107-F110 HydrophobicContact CB-CE2 3.76Å; K107-F110 HydrophobicContact CB-CZ 3.87Å; K107-F110 HydrophobicContact CG-CE1 4.4Å; K107-F110 HydrophobicContact CG-CE2 3.87Å; K107-F110 HydrophobicContact CG-CZ 3.66Å; K107-F110 WeakPolarHBondContact O-CB 3.33Å; K107-F110 WeakPolarHBondContact O-CD2 3.48Å; K107-F110 WeakPolarHBondContact O-CG 3.42Å; K107-E134 IonicContact NZ-OE1 3.82Å; K107-E134 PolarHBondContact NZ-OE1 2.97Å |
| 108 | K | 88.4 | Confident | 91.2 | Very high | 89 Ų | 89 | 39.3 Ų | 39.3 | 39% | 0.387 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -75.7 | -22.8 | 175.4 | -59.3 | -178 | 174.4 | -178 | 0 | 112.6 | D82 D85 G105 L106 F110 Y114 | D82-K108 IonicContact OD1-NZ 3.94Å; D82-K108 PolarHBondContact OD1-NZ 2.92Å; D85-K108 WeakPolarHBondContact OD1-CD 3.4Å; D85-K108 IonicContact OD1-NZ 3.83Å; D85-K108 PolarHBondContact OD1-NZ 2.85Å; D85-K108 VanDerWaalsContact OD2-CD 3.27Å; D85-K108 WeakPolarHBondContact OD2-CD 3.21Å; D85-K108 IonicContact OD2-NZ 2.82Å; D85-K108 PolarHBondContact OD2-NZ 3.31Å; G105-K108 WeakPolarHBondContact O-CB 3.45Å; G105-K108 PolarHBondContact O-N 2.84Å; G105-K108 VanDerWaalsContact O-N 3.14Å; L106-K108 PolarHBondContact O-N 3.41Å; L106-K108 VanDerWaalsContact O-N 3.14Å; K108-F110 PolarHBondContact O-N 3.18Å; K108-Y114 WeakPolarHBondContact O-CE2 3.35Å; K108-Y114 VanDerWaalsContact O-CZ 3.3Å; K108-Y114 PolarHBondContact O-OH 3.13Å |
| 109 | L | 90.9 | Very high | 91.1 | Very high | 4 Ų | 4 | 38.9 Ų | 38.9 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -85.7 | 21.4 | 176 | -52 | -179.2 | 0 | 0 | 0 | 112.6 | L84 L106 K107 Y114 L116 L139 | L84-L109 HydrophobicContact CB-CD1 4.16Å; L84-L109 HydrophobicContact CB-CD2 4.01Å; L84-L109 HydrophobicContact CB-CG 4.45Å; L84-L109 HydrophobicContact CD1-CD1 4.13Å; L84-L109 WeakPolarHBondContact O-CD2 3.25Å; L106-L109 HydrophobicContact CD2-CD1 3.92Å; L106-L109 WeakPolarHBondContact O-CB 3.45Å; L106-L109 PolarHBondContact O-N 3.28Å; K107-L109 VanDerWaalsContact C-N 3.32Å; L109-Y114 HydrophobicContact CB-CD1 4.21Å; L109-Y114 HydrophobicContact CB-CD2 4.44Å; L109-Y114 HydrophobicContact CB-CG 4.13Å; L109-Y114 HydrophobicContact CD2-CD1 3.69Å; L109-Y114 HydrophobicContact CD2-CE1 3.6Å; L109-Y114 HydrophobicContact CD2-CG 4.46Å; L109-Y114 WeakPolarHBondContact O-CB 3.45Å; L109-Y114 WeakPolarHBondContact O-CD2 3.43Å; L109-L116 HydrophobicContact CD1-CD2 3.74Å; L109-L139 HydrophobicContact CB-CD2 3.9Å; L109-L139 VanDerWaalsContact O-CD2 3.28Å; L109-L139 WeakPolarHBondContact O-CD2 3.33Å |
| 110 | F | 88.9 | Confident | 91.1 | Very high | 58 Ų | 58 | 36.1 Ų | 36.1 | 25% | 0.254 | 22% | 0.221 | S | C | . | . | trans | -79.1 | 141.8 | 179 | -75.1 | -6.9 | 0 | 0 | 0 | 112.4 | K107 K108 Y114 C135 N138 L139 | K107-F110 HydrophobicContact CB-CD2 4.22Å; K107-F110 HydrophobicContact CB-CE1 4.38Å; K107-F110 HydrophobicContact CB-CE2 3.76Å; K107-F110 HydrophobicContact CB-CZ 3.87Å; K107-F110 HydrophobicContact CG-CE1 4.4Å; K107-F110 HydrophobicContact CG-CE2 3.87Å; K107-F110 HydrophobicContact CG-CZ 3.66Å; K107-F110 WeakPolarHBondContact O-CB 3.33Å; K107-F110 WeakPolarHBondContact O-CD2 3.48Å; K107-F110 WeakPolarHBondContact O-CG 3.42Å; K108-F110 PolarHBondContact O-N 3.18Å; F110-Y114 WeakPolarHBondContact O-CD2 3.5Å; F110-Y114 WeakPolarHBondContact O-CE2 3.38Å; F110-C135 WeakPolarHBondContact CE1-O 3.27Å; F110-C135 WeakPolarHBondContact CZ-O 3.41Å; F110-N138 HydrophobicContact CB-CB 4.38Å; F110-N138 HydrophobicContact CD1-CB 3.69Å; F110-N138 HydrophobicContact CD2-CB 3.75Å; F110-N138 HydrophobicContact CE1-CB 3.71Å; F110-N138 HydrophobicContact CE2-CB 3.81Å; F110-N138 WeakPolarHBondContact CE2-ND2 3.37Å; F110-N138 HydrophobicContact CG-CB 3.68Å; F110-N138 HydrophobicContact CZ-CB 3.76Å; F110-L139 HydrophobicContact CD1-CD2 3.86Å; F110-L139 HydrophobicContact CD1-CG 4.23Å; F110-L139 HydrophobicContact CE1-CD2 4.21Å; F110-L139 HydrophobicContact CE1-CG 4.14Å | ||
| 111 | G | 81.6 | Confident | 91 | Very high | 27 Ų | 27 | 36.1 Ų | 36.1 | 28% | 0.278 | 22% | 0.221 | S | C | . | . | S | Bend | trans | 105.8 | 168.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | G113 Y114 | G111-G113 PolarHBondContact O-N 2.79Å; G111-G113 VanDerWaalsContact O-N 3.16Å; G111-Y114 PolarHBondContact O-N 3.47Å |
| 112 | P | 79.8 | Confident | 91.1 | Very high | 123 Ų | 123 | 33.4 Ų | 33.4 | 80% | 0.799 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -7.9 | -170.1 | 30.1 | -36.9 | 0 | 0 | 0 | 114.5 | Y114 | P112-Y114 VanDerWaalsContact C-N 3.33Š|
| 113 | G | 85.4 | Confident | 91.1 | Very high | 53 Ų | 53 | 32.9 Ų | 32.9 | 55% | 0.546 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -11 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | G111 | G111-G113 PolarHBondContact O-N 2.79Å; G111-G113 VanDerWaalsContact O-N 3.16Å |
| 114 | Y | 91.2 | Very high | 91.2 | Very high | 48 Ų | 48 | 32.9 Ų | 32.9 | 19% | 0.188 | 20% | 0.203 | C | C | . | . | trans | -104 | 134.9 | 180 | -62.4 | -80.4 | 0 | 0 | 0 | 111.5 | D85 N88 K108 L109 F110 G111 P112 N141 | D85-Y114 PolarHBondContact O-OH 3.19Å; D85-Y114 VanDerWaalsContact O-OH 3.1Å; N88-Y114 VanDerWaalsContact OD1-CE1 3.23Å; N88-Y114 WeakPolarHBondContact OD1-CE1 3.44Å; K108-Y114 WeakPolarHBondContact O-CE2 3.35Å; K108-Y114 VanDerWaalsContact O-CZ 3.3Å; K108-Y114 PolarHBondContact O-OH 3.13Å; L109-Y114 HydrophobicContact CB-CD1 4.21Å; L109-Y114 HydrophobicContact CB-CD2 4.44Å; L109-Y114 HydrophobicContact CB-CG 4.13Å; L109-Y114 HydrophobicContact CD2-CD1 3.69Å; L109-Y114 HydrophobicContact CD2-CE1 3.6Å; L109-Y114 HydrophobicContact CD2-CG 4.46Å; L109-Y114 WeakPolarHBondContact O-CB 3.45Å; L109-Y114 WeakPolarHBondContact O-CD2 3.43Å; F110-Y114 WeakPolarHBondContact O-CD2 3.5Å; F110-Y114 WeakPolarHBondContact O-CE2 3.38Å; G111-Y114 PolarHBondContact O-N 3.47Å; P112-Y114 VanDerWaalsContact C-N 3.33Å; Y114-N141 PolarHBondContact O-ND2 3.34Å | ||
| 115 | S | 90.4 | Very high | 91.3 | Very high | 45 Ų | 45 | 34.2 Ų | 34.2 | 32% | 0.315 | 20% | 0.204 | S | C | . | . | trans | -93.5 | 10.7 | -171.7 | -50.5 | 0 | 0 | 0 | 0 | 114.4 | N88 L90 V91 T117 | N88-S115 WeakPolarHBondContact O-CB 3.25Å; N88-S115 PolarHBondContact O-N 2.88Å; N88-S115 PolarHBondContact O-OG 3.3Å; L90-S115 CarbonylContact O-C 3.26Å; V91-S115 WeakPolarHBondContact CA-O 3.49Å; S115-T117 PolarHBondContact O-N 2.94Å; S115-T117 VanDerWaalsContact O-N 3.14Å; S115-T117 PolarHBondContact O-OG1 3.45Å; S115-T117 VanDerWaalsContact O-OG1 3.11Å | ||
| 116 | L | 93.5 | Very high | 91.5 | Very high | 5 Ų | 5 | 33.6 Ų | 33.6 | 3% | 0.026 | 20% | 0.198 | C | C | . | . | trans | -71.4 | 110.1 | -165 | -173.3 | 61.6 | 0 | 0 | 0 | 112.1 | L90 L93 L106 L109 I119 N141 L142 | L90-L116 HydrophobicContact CD2-CD1 4.23Å; L90-L116 HydrophobicContact CG-CD1 4.19Å; L90-L116 WeakPolarHBondContact O-CA 3.28Å; L90-L116 PolarHBondContact O-N 2.85Å; L93-L116 HydrophobicContact CB-CD1 3.92Å; L106-L116 HydrophobicContact CD2-CD2 4.43Å; L109-L116 HydrophobicContact CD1-CD2 3.74Å; L116-I119 HydrophobicContact CD1-CG1 4.24Å; L116-I119 HydrophobicContact CD2-CD1 3.68Å; L116-I119 HydrophobicContact CD2-CG1 3.86Å; L116-I119 HydrophobicContact CG-CD1 4.2Å; L116-I119 HydrophobicContact CG-CG1 3.99Å; L116-N141 CarbonylContact O-C 3.59Å; L116-L142 WeakPolarHBondContact O-CA 3.48Å; L116-L142 PolarHBondContact O-N 3.15Å; L116-L142 VanDerWaalsContact O-N 3.12Å | ||
| 117 | T | 91.7 | Very high | 91.4 | Very high | 41 Ų | 41 | 40 Ų | 40 | 25% | 0.252 | 23% | 0.227 | S | C | . | . | trans | -108.9 | -38 | -171.9 | -61.8 | 0 | 0 | 0 | 0 | 112.6 | V91 S115 N141 R143 Q144 | V91-T117 PolarHBondContact O-N 2.76Å; S115-T117 PolarHBondContact O-N 2.94Å; S115-T117 VanDerWaalsContact O-N 3.14Å; S115-T117 PolarHBondContact O-OG1 3.45Å; S115-T117 VanDerWaalsContact O-OG1 3.11Å; T117-N141 WeakPolarHBondContact CA-O 3.23Å; T117-R143 HydrophobicContact CG2-CB 3.84Å; T117-R143 HydrophobicContact CG2-CG 3.83Å; T117-R143 PolarHBondContact O-N 3.01Å; T117-Q144 PolarHBondContact O-N 2.92Å | ||
| 118 | T | 93.6 | Very high | 91.5 | Very high | 4 Ų | 4 | 39.4 Ų | 39.4 | 3% | 0.025 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 127.4 | -178.5 | -56.5 | 0 | 0 | 0 | 0 | 111.2 | V91 R92 L93 I120 Q144 | V91-T118 PolarHBondContact O-N 3.03Å; R92-T118 WeakPolarHBondContact CA-O 3.34Å; R92-T118 HydrophobicContact CG-CG2 4.12Å; R92-T118 PolarHBondContact NH2-OG1 3.02Å; L93-T118 PolarHBondContact N-O 3.37Å; T118-I120 HydrophobicContact CG2-CD1 4.2Å; T118-I120 HydrophobicContact CG2-CG1 3.91Å; T118-Q144 WeakPolarHBondContact CA-O 3.48Å; T118-Q144 HydrophobicContact CG2-CB 4.06Å; T118-Q144 HydrophobicContact CG2-CG 4.03Å |
| 119 | I | 95.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 125 | 172.3 | -59.5 | 176.7 | 0 | 0 | 0 | 109.6 | L93 L106 L116 L121 L136 L139 L142 Q144 L145 V146 | L93-I119 WeakPolarHBondContact O-CA 3.39Å; L106-I119 HydrophobicContact CD1-CD1 4.11Å; L116-I119 HydrophobicContact CD1-CG1 4.24Å; L116-I119 HydrophobicContact CD2-CD1 3.68Å; L116-I119 HydrophobicContact CD2-CG1 3.86Å; L116-I119 HydrophobicContact CG-CD1 4.2Å; L116-I119 HydrophobicContact CG-CG1 3.99Å; I119-L121 HydrophobicContact CG2-CD1 3.49Å; I119-L121 VanDerWaalsContact CG2-CD1 3.49Å; I119-L121 HydrophobicContact CG2-CG 3.75Å; I119-L136 HydrophobicContact CD1-CD2 4.22Å; I119-L139 HydrophobicContact CD1-CD1 3.83Å; I119-L142 HydrophobicContact CB-CD1 4.23Å; I119-L142 HydrophobicContact CD1-CD1 3.68Å; I119-L142 HydrophobicContact CG1-CD1 3.7Å; I119-Q144 PolarHBondContact N-O 3.5Å; I119-L145 HydrophobicContact CB-CD1 4.11Å; I119-L145 HydrophobicContact CG2-CD1 4.17Å; I119-L145 CarbonylContact O-C 3.5Å; I119-L145 WeakPolarHBondContact O-CA 3.39Å; I119-V146 PolarHBondContact O-N 2.86Å |
| 120 | I | 95 | Very high | 91.8 | Very high | 13 Ų | 13 | 41.2 Ų | 41.2 | 7% | 0.067 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 120.2 | -178.8 | -55.4 | 178.4 | 0 | 0 | 0 | 107.8 | L93 D94 V95 S96 T118 Q122 V146 I190 | L93-I120 PolarHBondContact O-N 2.9Å; D94-I120 HydrophobicContact CB-CB 4.05Å; D94-I120 HydrophobicContact CB-CD1 4.37Å; D94-I120 WeakPolarHBondContact OD1-CG2 3.14Å; V95-I120 CarbonylContact C-O 3.34Å; V95-I120 WeakPolarHBondContact CG2-O 3.45Å; V95-I120 PolarHBondContact N-O 3.05Å; S96-I120 PolarHBondContact N-O 3.46Å; T118-I120 HydrophobicContact CG2-CD1 4.2Å; T118-I120 HydrophobicContact CG2-CG1 3.91Å; I120-Q122 VanDerWaalsContact CG2-NE2 3.29Å; I120-V146 HydrophobicContact CG2-CB 4.4Å; I120-I190 HydrophobicContact CD1-CD1 4Å |
| 121 | L | 95.6 | Very high | 92 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | trans | -141.4 | 1.7 | -162.6 | -90.5 | 168.6 | 0 | 0 | 0 | 114 | V95 I100 L103 I119 N124 I126 L145 V146 L147 N156 | V95-L121 HydrophobicContact CG2-CD2 3.52Å; V95-L121 HydrophobicContact CG2-CG 4.01Å; I100-L121 HydrophobicContact CD1-CD2 4.23Å; L103-L121 HydrophobicContact CD1-CD1 4.19Å; L103-L121 HydrophobicContact CD2-CD1 3.8Å; L103-L121 HydrophobicContact CD2-CD2 4.08Å; I119-L121 HydrophobicContact CG2-CD1 3.49Å; I119-L121 VanDerWaalsContact CG2-CD1 3.49Å; I119-L121 HydrophobicContact CG2-CG 3.75Å; L121-N124 WeakPolarHBondContact O-CB 3.5Å; L121-N124 PolarHBondContact O-ND2 3.28Å; L121-I126 HydrophobicContact CD1-CD1 4.16Å; L121-I126 HydrophobicContact CD2-CD1 4.02Å; L121-L145 HydrophobicContact CD1-CD1 4.17Å; L121-V146 CarbonylContact C-O 3.59Å; L121-V146 VanDerWaalsContact CA-O 3.31Å; L121-V146 WeakPolarHBondContact CA-O 3.43Å; L121-V146 WeakPolarHBondContact CB-O 3.5Å; L121-V146 PolarHBondContact N-O 2.97Å; L121-L147 HydrophobicContact CB-CD2 3.78Å; L121-L147 HydrophobicContact CB-CG 4.46Å; L121-L147 HydrophobicContact CD1-CD2 4.18Å; L121-N156 PolarHBondContact O-ND2 2.95Å | ||
| 122 | Q | 94.3 | Very high | 92.7 | Very high | 15 Ų | 15 | 39.1 Ų | 39.1 | 7% | 0.07 | 23% | 0.233 | C | C | . | . | trans | -55.5 | 152.7 | 177.4 | 69.4 | -77.8 | -1.5 | 0 | 0 | 112.8 | S96 F97 I120 V146 L147 N149 | S96-Q122 CarbonylContact C-O 3.54Å; S96-Q122 WeakPolarHBondContact CA-O 3.49Å; S96-Q122 VanDerWaalsContact CB-CD 3.45Å; S96-Q122 VanDerWaalsContact CB-NE2 3.26Å; S96-Q122 WeakPolarHBondContact CB-O 3.46Å; S96-Q122 PolarHBondContact OG-NE2 2.98Å; F97-Q122 HydrophobicContact CE2-CG 4.25Å; F97-Q122 HydrophobicContact CZ-CG 4.44Å; F97-Q122 PolarHBondContact N-O 2.76Å; I120-Q122 VanDerWaalsContact CG2-NE2 3.29Å; Q122-V146 PolarHBondContact N-O 3.49Å; Q122-V146 VanDerWaalsContact OE1-CG1 3.22Å; Q122-L147 WeakPolarHBondContact CA-O 3.45Å; Q122-N149 HydrophobicContact CG-CB 4.15Å | ||
| 123 | G | 93.9 | Very high | 93.4 | Very high | 18 Ų | 18 | 35.3 Ų | 35.3 | 19% | 0.186 | 21% | 0.206 | C | C | . | . | S | Bend | trans | 65.7 | 35.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | F97 N98 | F97-G123 VanDerWaalsContact CA-O 3.29Å; F97-G123 WeakPolarHBondContact CA-O 3.49Å; F97-G123 PolarHBondContact N-O 3.23Å; N98-G123 PolarHBondContact N-O 3.43Å |
| 124 | N | 96.7 | Very high | 93.8 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -117.3 | -179.4 | 170.9 | -81.3 | -81.7 | 0 | 0 | 0 | 110.6 | V95 N98 I100 L121 N156 P157 | V95-N124 PolarHBondContact O-ND2 3.18Å; N98-N124 WeakPolarHBondContact CA-OD1 3.37Å; N98-N124 WeakPolarHBondContact CB-OD1 3.34Å; N98-N124 PolarHBondContact O-OD1 3.37Å; N98-N124 VanDerWaalsContact O-OD1 3.1Å; I100-N124 HydrophobicContact CB-CB 4.3Å; I100-N124 WeakPolarHBondContact CB-OD1 3.33Å; I100-N124 WeakPolarHBondContact CG1-OD1 3.32Å; I100-N124 PolarHBondContact N-OD1 2.89Å; L121-N124 WeakPolarHBondContact O-CB 3.5Å; L121-N124 PolarHBondContact O-ND2 3.28Å; N124-N156 WeakPolarHBondContact CA-OD1 3.29Å; N124-N156 WeakPolarHBondContact CB-OD1 3.48Å; N124-N156 PolarHBondContact O-OD1 3.03Å; N124-P157 WeakPolarHBondContact O-CD 3.41Å |
| 125 | Q | 95.3 | Very high | 93.9 | Very high | 98 Ų | 98 | 35.9 Ų | 35.9 | 46% | 0.458 | 20% | 0.196 | S | C | . | . | trans | -108.5 | 34.3 | -171.7 | -61.1 | -62.8 | -19.3 | 0 | 0 | 112.7 | I100 T101 | I100-Q125 CarbonylContact O-C 3.54Å; I100-Q125 WeakPolarHBondContact O-CA 3.38Å; I100-Q125 PolarHBondContact O-N 3.37Å; T101-Q125 HydrophobicContact CG2-CB 3.84Å | ||
| 126 | I | 95.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -80.9 | 120.6 | 180 | -54.4 | 165 | 0 | 0 | 0 | 109.7 | L103 L121 I132 L147 N156 P157 V158 | L103-I126 HydrophobicContact CD1-CD1 4.06Å; L103-I126 HydrophobicContact CD2-CD1 3.75Å; L103-I126 HydrophobicContact CG-CD1 3.93Å; L121-I126 HydrophobicContact CD1-CD1 4.16Å; L121-I126 HydrophobicContact CD2-CD1 4.02Å; I126-I132 HydrophobicContact CG2-CD1 3.78Å; I126-I132 HydrophobicContact CG2-CG1 3.74Å; I126-L147 HydrophobicContact CD1-CD2 3.95Å; I126-N156 HydrophobicContact CB-CB 4.26Å; I126-N156 VanDerWaalsContact CB-OD1 3.29Å; I126-N156 WeakPolarHBondContact CB-OD1 3.46Å; I126-N156 WeakPolarHBondContact CD1-OD1 3.38Å; I126-N156 VanDerWaalsContact CG1-OD1 3.32Å; I126-N156 WeakPolarHBondContact CG1-OD1 3.3Å; I126-N156 PolarHBondContact N-OD1 2.84Å; I126-N156 VanDerWaalsContact N-OD1 3.09Å; I126-P157 WeakPolarHBondContact O-CD 3.27Å; I126-V158 WeakPolarHBondContact O-CB 3.4Å; I126-V158 PolarHBondContact O-N 3.28Å | ||
| 127 | Q | 92.9 | Very high | 94 | Very high | 134 Ų | 134 | 39.7 Ų | 39.7 | 63% | 0.626 | 21% | 0.207 | S | C | * | . | trans | -104.5 | -30.9 | -171.9 | -56.3 | -171.9 | -10.6 | 0 | 0 | 114.5 | P157 | Q127-P157 HydrophobicContact CG-CB 4.05Å; Q127-P157 HydrophobicContact CG-CG 4.2Å | ||
| 128 | S | 92.4 | Very high | 94 | Very high | 52 Ų | 52 | 41.6 Ų | 41.6 | 36% | 0.364 | 22% | 0.215 | S | C | . | . | trans | -108.3 | 124.6 | -168.8 | 177.1 | 0 | 0 | 0 | 0 | 113.1 | S130 H131 I132 | S128-S130 PolarHBondContact OG-N 3.2Å; S128-H131 WeakPolarHBondContact O-CB 3.43Å; S128-H131 PolarHBondContact O-N 2.88Å; S128-H131 PolarHBondContact OG-N 3.34Å; S128-I132 PolarHBondContact O-N 3.49Å | ||
| 129 | K | 92.7 | Very high | 93.9 | Very high | 51 Ų | 51 | 41.7 Ų | 41.7 | 22% | 0.222 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.5 | -40.7 | 171.9 | 59.7 | -174.9 | 171.7 | -174.7 | 0 | 112.5 | H131 I132 L133 V158 E161 D167 | K129-H131 VanDerWaalsContact C-N 3.25Å; K129-H131 PolarHBondContact O-N 3.46Å; K129-I132 PolarHBondContact O-N 2.93Å; K129-I132 VanDerWaalsContact O-N 3.16Å; K129-L133 WeakPolarHBondContact O-CG 3.43Å; K129-L133 PolarHBondContact O-N 2.82Å; K129-V158 HydrophobicContact CB-CG2 3.93Å; K129-V158 VanDerWaalsContact N-CG2 3.32Å; K129-E161 WeakPolarHBondContact CD-OE2 3.35Å; K129-E161 WeakPolarHBondContact CE-OE2 3.45Å; K129-E161 WeakPolarHBondContact CG-OE2 3.24Å; K129-E161 IonicContact NZ-OE2 3.48Å; K129-D167 HydrophobicContact CD-CB 4.28Å; K129-D167 VanDerWaalsContact CD-OD2 3.26Å; K129-D167 WeakPolarHBondContact CD-OD2 3.42Å; K129-D167 VanDerWaalsContact CE-OD2 3.29Å; K129-D167 WeakPolarHBondContact CE-OD2 3.37Å; K129-D167 IonicContact NZ-OD2 3.76Å; K129-D167 PolarHBondContact NZ-OD2 3.47Å |
| 130 | S | 92.3 | Very high | 93.5 | Very high | 80 Ų | 80 | 45.1 Ų | 45.1 | 56% | 0.559 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -58 | -38.7 | 175.6 | -52.1 | 0 | 0 | 0 | 0 | 112 | S128 L133 E134 | S128-S130 PolarHBondContact OG-N 3.2Å; S130-L133 PolarHBondContact O-N 3.41Å; S130-E134 WeakPolarHBondContact O-CB 3.44Å; S130-E134 PolarHBondContact O-N 2.91Å |
| 131 | H | 93.7 | Very high | 93.3 | Very high | 41 Ų | 41 | 47 Ų | 47 | 19% | 0.19 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.5 | -41.4 | 177.3 | -166.9 | 56.1 | 0 | 0 | 0 | 112.9 | S102 L103 S128 K129 E134 C135 | S102-H131 WeakPolarHBondContact CA-NE2 3.45Å; S102-H131 PolarHBondContact OG-CE1 3.06Å; S102-H131 PolarHBondContact OG-NE2 3.25Å; L103-H131 PolarHBondContact N-NE2 2.91Å; S128-H131 WeakPolarHBondContact O-CB 3.43Å; S128-H131 PolarHBondContact O-N 2.88Å; S128-H131 PolarHBondContact OG-N 3.34Å; K129-H131 VanDerWaalsContact C-N 3.25Å; K129-H131 PolarHBondContact O-N 3.46Å; H131-E134 PolarHBondContact O-N 3.47Å; H131-C135 WeakPolarHBondContact O-CB 3.26Å; H131-C135 PolarHBondContact O-N 3.04Å; H131-C135 PolarHBondContact O-SG 2.97Å |
| 132 | I | 95.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.8 | -47.3 | 175.7 | -63.7 | 174 | 0 | 0 | 0 | 110 | L103 I126 S128 K129 E134 C135 L136 L145 L147 V158 L168 | L103-I132 HydrophobicContact CD1-CG1 4.09Å; I126-I132 HydrophobicContact CG2-CD1 3.78Å; I126-I132 HydrophobicContact CG2-CG1 3.74Å; S128-I132 PolarHBondContact O-N 3.49Å; K129-I132 PolarHBondContact O-N 2.93Å; K129-I132 VanDerWaalsContact O-N 3.16Å; I132-E134 PolarHBondContact O-N 3.35Å; I132-C135 PolarHBondContact O-N 3.49Å; I132-L136 HydrophobicContact CG2-CD1 3.57Å; I132-L136 HydrophobicContact CG2-CG 4.1Å; I132-L136 WeakPolarHBondContact O-CB 3.47Å; I132-L136 WeakPolarHBondContact O-CG 3.47Å; I132-L136 PolarHBondContact O-N 2.93Å; I132-L145 HydrophobicContact CG2-CD2 4.44Å; I132-L147 HydrophobicContact CD1-CD1 3.8Å; I132-L147 HydrophobicContact CD1-CD2 4.33Å; I132-V158 HydrophobicContact CD1-CB 4.33Å; I132-V158 HydrophobicContact CD1-CG1 3.76Å; I132-V158 HydrophobicContact CD1-CG2 4.01Å; I132-L168 HydrophobicContact CB-CD2 4.05Å; I132-L168 HydrophobicContact CD1-CD1 4.45Å; I132-L168 HydrophobicContact CG2-CD1 4.04Å; I132-L168 HydrophobicContact CG2-CD2 3.73Å |
| 133 | L | 94.9 | Very high | 93.1 | Very high | 43 Ų | 43 | 50 Ų | 50 | 23% | 0.225 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.8 | -47.3 | 176.6 | -66.9 | -177.6 | 0 | 0 | 0 | 111.6 | K129 S130 C135 K137 L168 L172 | K129-L133 WeakPolarHBondContact O-CG 3.43Å; K129-L133 PolarHBondContact O-N 2.82Å; S130-L133 PolarHBondContact O-N 3.41Å; L133-C135 VanDerWaalsContact C-N 3.33Å; L133-C135 PolarHBondContact O-N 3.17Å; L133-K137 WeakPolarHBondContact O-CB 3.35Å; L133-K137 PolarHBondContact O-N 3.4Å; L133-L168 HydrophobicContact CD2-CD2 3.7Å; L133-L168 HydrophobicContact CG-CD2 4Å; L133-L172 HydrophobicContact CD2-CD1 4.41Å; L133-L172 HydrophobicContact CD2-CD2 4.02Å; L133-L172 HydrophobicContact CD2-CG 3.74Å |
| 134 | E | 92.3 | Very high | 93.1 | Very high | 113 Ų | 113 | 49.7 Ų | 49.7 | 53% | 0.528 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.2 | -36.9 | 179.1 | -162.8 | -165.3 | 145.1 | 0 | 0 | 112.9 | K107 S130 H131 I132 | K107-E134 IonicContact NZ-OE1 3.82Å; K107-E134 PolarHBondContact NZ-OE1 2.97Å; S130-E134 WeakPolarHBondContact O-CB 3.44Å; S130-E134 PolarHBondContact O-N 2.91Å; H131-E134 PolarHBondContact O-N 3.47Å; I132-E134 PolarHBondContact O-N 3.35Å |
| 135 | C | 94.1 | Very high | 93 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -85.8 | -26.8 | -177.1 | -63.3 | 0 | 0 | 0 | 0 | 114.2 | L103 F110 H131 I132 L133 | L103-C135 HydrophobicContact CB-CB 3.62Å; F110-C135 WeakPolarHBondContact CE1-O 3.27Å; F110-C135 WeakPolarHBondContact CZ-O 3.41Å; H131-C135 WeakPolarHBondContact O-CB 3.26Å; H131-C135 PolarHBondContact O-N 3.04Å; H131-C135 PolarHBondContact O-SG 2.97Å; I132-C135 PolarHBondContact O-N 3.49Å; L133-C135 VanDerWaalsContact C-N 3.33Å; L133-C135 PolarHBondContact O-N 3.17Å |
| 136 | L | 95.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -105.7 | -18.9 | -175.2 | -55.6 | -172.6 | 0 | 0 | 0 | 114.3 | L103 L106 I119 I132 N138 L139 L142 L145 L172 Q174 | L103-L136 HydrophobicContact CD1-CD1 4.43Å; L103-L136 HydrophobicContact CD1-CD2 4.21Å; L103-L136 HydrophobicContact CD1-CG 4.32Å; L106-L136 HydrophobicContact CD1-CD2 3.57Å; I119-L136 HydrophobicContact CD1-CD2 4.22Å; I132-L136 HydrophobicContact CG2-CD1 3.57Å; I132-L136 HydrophobicContact CG2-CG 4.1Å; I132-L136 WeakPolarHBondContact O-CB 3.47Å; I132-L136 WeakPolarHBondContact O-CG 3.47Å; I132-L136 PolarHBondContact O-N 2.93Å; L136-N138 VanDerWaalsContact C-N 3.25Å; L136-N138 PolarHBondContact O-N 2.85Å; L136-N138 VanDerWaalsContact O-N 3.09Å; L136-L139 HydrophobicContact CB-CD1 4.37Å; L136-L139 HydrophobicContact CD2-CD1 3.54Å; L136-L139 WeakPolarHBondContact O-CB 3.34Å; L136-L139 PolarHBondContact O-N 3.1Å; L136-L142 HydrophobicContact CB-CD2 4.14Å; L136-L142 HydrophobicContact CD1-CD2 4.13Å; L136-L145 HydrophobicContact CD1-CD1 4.02Å; L136-L145 HydrophobicContact CD1-CD2 3.61Å; L136-L145 HydrophobicContact CD1-CG 4.47Å; L136-L172 HydrophobicContact CB-CD1 4.05Å; L136-L172 HydrophobicContact CB-CD2 3.94Å; L136-L172 HydrophobicContact CD1-CD1 4.2Å; L136-Q174 PolarHBondContact O-NE2 3.3Å; L136-Q174 VanDerWaalsContact O-NE2 3.14Å |
| 137 | K | 90.6 | Very high | 92.9 | Very high | 130 Ų | 130 | 45 Ų | 45 | 57% | 0.565 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -34.4 | -174.2 | 175.1 | 173.5 | 179.4 | 176.7 | 0 | 114.9 | L133 L172 Q174 | L133-K137 WeakPolarHBondContact O-CB 3.35Å; L133-K137 PolarHBondContact O-N 3.4Å; K137-L172 HydrophobicContact CB-CD2 4.17Å; K137-Q174 PolarHBondContact O-NE2 2.99Å |
| 138 | N | 91 | Very high | 92.9 | Very high | 81 Ų | 81 | 41 Ų | 41 | 43% | 0.433 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 7.9 | -179.4 | -50.4 | -54.4 | 0 | 0 | 0 | 114 | F110 L136 V140 | F110-N138 HydrophobicContact CB-CB 4.38Å; F110-N138 HydrophobicContact CD1-CB 3.69Å; F110-N138 HydrophobicContact CD2-CB 3.75Å; F110-N138 HydrophobicContact CE1-CB 3.71Å; F110-N138 HydrophobicContact CE2-CB 3.81Å; F110-N138 WeakPolarHBondContact CE2-ND2 3.37Å; F110-N138 HydrophobicContact CG-CB 3.68Å; F110-N138 HydrophobicContact CZ-CB 3.76Å; L136-N138 VanDerWaalsContact C-N 3.25Å; L136-N138 PolarHBondContact O-N 2.85Å; L136-N138 VanDerWaalsContact O-N 3.09Å; N138-V140 VanDerWaalsContact C-N 3.29Å; N138-V140 PolarHBondContact O-N 3.39Å |
| 139 | L | 92.3 | Very high | 92.5 | Very high | 5 Ų | 5 | 39.7 Ų | 39.7 | 3% | 0.026 | 20% | 0.201 | C | C | . | . | trans | -79.1 | 81.6 | 166.7 | -61.8 | 176.6 | 0 | 0 | 0 | 108.7 | L106 L109 F110 I119 L136 N141 L142 Q174 | L106-L139 HydrophobicContact CB-CD1 4.47Å; L109-L139 HydrophobicContact CB-CD2 3.9Å; L109-L139 VanDerWaalsContact O-CD2 3.28Å; L109-L139 WeakPolarHBondContact O-CD2 3.33Å; F110-L139 HydrophobicContact CD1-CD2 3.86Å; F110-L139 HydrophobicContact CD1-CG 4.23Å; F110-L139 HydrophobicContact CE1-CD2 4.21Å; F110-L139 HydrophobicContact CE1-CG 4.14Å; I119-L139 HydrophobicContact CD1-CD1 3.83Å; L136-L139 HydrophobicContact CB-CD1 4.37Å; L136-L139 HydrophobicContact CD2-CD1 3.54Å; L136-L139 WeakPolarHBondContact O-CB 3.34Å; L136-L139 PolarHBondContact O-N 3.1Å; L139-N141 PolarHBondContact O-N 2.92Å; L139-L142 HydrophobicContact CB-CB 3.93Å; L139-L142 HydrophobicContact CD1-CD2 4.43Å; L139-L142 VanDerWaalsContact O-CB 3.3Å; L139-L142 WeakPolarHBondContact O-CB 3.48Å; L139-L142 PolarHBondContact O-N 3.37Å; L139-L142 VanDerWaalsContact O-N 3.13Å; L139-Q174 PolarHBondContact O-NE2 3.18Å; L139-Q174 VanDerWaalsContact O-NE2 3.14Å | ||
| 140 | V | 87.8 | Confident | 91.8 | Very high | 73 Ų | 73 | 41.2 Ų | 41.2 | 44% | 0.442 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -24.8 | -171.6 | -63.7 | 0 | 0 | 0 | 0 | 114.3 | N138 R143 | N138-V140 VanDerWaalsContact C-N 3.29Å; N138-V140 PolarHBondContact O-N 3.39Å; V140-R143 PolarHBondContact O-NH1 2.89Å |
| 141 | N | 90.4 | Very high | 91 | Very high | 53 Ų | 53 | 45.8 Ų | 45.8 | 28% | 0.283 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -6.1 | 180 | -70 | -33.4 | 0 | 0 | 0 | 113.6 | Y114 L116 T117 L139 R143 | Y114-N141 PolarHBondContact O-ND2 3.34Å; L116-N141 CarbonylContact O-C 3.59Å; T117-N141 WeakPolarHBondContact CA-O 3.23Å; L139-N141 PolarHBondContact O-N 2.92Å; N141-R143 VanDerWaalsContact C-NH1 3.31Å; N141-R143 PolarHBondContact O-N 3.31Å; N141-R143 PolarHBondContact O-NH1 3.06Å |
| 142 | L | 93.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | trans | -60.9 | 128 | 176.3 | -174 | 66.1 | 0 | 0 | 0 | 110 | L116 I119 L136 L139 Q144 Q174 L175 | L116-L142 WeakPolarHBondContact O-CA 3.48Å; L116-L142 PolarHBondContact O-N 3.15Å; L116-L142 VanDerWaalsContact O-N 3.12Å; I119-L142 HydrophobicContact CB-CD1 4.23Å; I119-L142 HydrophobicContact CD1-CD1 3.68Å; I119-L142 HydrophobicContact CG1-CD1 3.7Å; L136-L142 HydrophobicContact CB-CD2 4.14Å; L136-L142 HydrophobicContact CD1-CD2 4.13Å; L139-L142 HydrophobicContact CB-CB 3.93Å; L139-L142 HydrophobicContact CD1-CD2 4.43Å; L139-L142 VanDerWaalsContact O-CB 3.3Å; L139-L142 WeakPolarHBondContact O-CB 3.48Å; L139-L142 PolarHBondContact O-N 3.37Å; L139-L142 VanDerWaalsContact O-N 3.13Å; L142-Q144 WeakPolarHBondContact CD1-O 3.49Å; L142-Q174 HydrophobicContact CB-CG 4.3Å; L142-Q174 CarbonylContact O-C 3.58Å; L142-Q174 VanDerWaalsContact O-CG 3.3Å; L142-Q174 WeakPolarHBondContact O-CG 3.5Å; L142-L175 HydrophobicContact CD2-CD1 4.17Å; L142-L175 HydrophobicContact CG-CD1 3.96Å | ||
| 143 | R | 91.7 | Very high | 89.6 | Confident | 76 Ų | 76 | 50 Ų | 50 | 29% | 0.287 | 27% | 0.267 | S | S | . | . | trans | -125 | -33.2 | 175.6 | -61.3 | -58.4 | -177.4 | -90.9 | -9.3 | 112.6 | T117 V140 N141 Q174 L175 E176 I177 | T117-R143 HydrophobicContact CG2-CB 3.84Å; T117-R143 HydrophobicContact CG2-CG 3.83Å; T117-R143 PolarHBondContact O-N 3.01Å; V140-R143 PolarHBondContact O-NH1 2.89Å; N141-R143 VanDerWaalsContact C-NH1 3.31Å; N141-R143 PolarHBondContact O-N 3.31Å; N141-R143 PolarHBondContact O-NH1 3.06Å; R143-Q174 WeakPolarHBondContact CD-O 3.37Å; R143-L175 WeakPolarHBondContact O-CD1 3.42Å; R143-E176 WeakPolarHBondContact CD-OE1 3.25Å; R143-E176 IonicContact NE-OE1 2.61Å; R143-E176 PolarHBondContact NE-OE1 2.96Å; R143-E176 PolarHBondContact O-N 3.47Å; R143-I177 PolarHBondContact O-N 3.45Å | ||
| 144 | Q | 93.2 | Very high | 89.1 | Confident | 13 Ų | 13 | 50.6 Ų | 50.6 | 6% | 0.061 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 130.5 | -177.3 | -176 | 166.8 | 56.2 | 0 | 0 | 111.6 | T117 T118 I119 L142 I177 | T117-Q144 PolarHBondContact O-N 2.92Å; T118-Q144 WeakPolarHBondContact CA-O 3.48Å; T118-Q144 HydrophobicContact CG2-CB 4.06Å; T118-Q144 HydrophobicContact CG2-CG 4.03Å; I119-Q144 PolarHBondContact N-O 3.5Å; L142-Q144 WeakPolarHBondContact CD1-O 3.49Å; Q144-I177 WeakPolarHBondContact CA-O 3.36Å; Q144-I177 HydrophobicContact CB-CB 4.38Å; Q144-I177 HydrophobicContact CG-CB 4.14Å; Q144-I177 HydrophobicContact CG-CG2 4.18Å |
| 145 | L | 94.9 | Very high | 89 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 130.5 | 176.8 | 179 | 61 | 0 | 0 | 0 | 108.6 | I119 L121 I132 L136 L147 L168 L172 L175 I177 L178 D179 | I119-L145 HydrophobicContact CB-CD1 4.11Å; I119-L145 HydrophobicContact CG2-CD1 4.17Å; I119-L145 CarbonylContact O-C 3.5Å; I119-L145 WeakPolarHBondContact O-CA 3.39Å; L121-L145 HydrophobicContact CD1-CD1 4.17Å; I132-L145 HydrophobicContact CG2-CD2 4.44Å; L136-L145 HydrophobicContact CD1-CD1 4.02Å; L136-L145 HydrophobicContact CD1-CD2 3.61Å; L136-L145 HydrophobicContact CD1-CG 4.47Å; L145-L147 HydrophobicContact CD1-CD1 4.31Å; L145-L147 HydrophobicContact CD1-CG 4.2Å; L145-L147 HydrophobicContact CD2-CD1 3.74Å; L145-L147 HydrophobicContact CD2-CG 4.48Å; L145-L147 HydrophobicContact CG-CD1 3.93Å; L145-L147 HydrophobicContact CG-CG 4.15Å; L145-L168 HydrophobicContact CD2-CD1 4.26Å; L145-L172 HydrophobicContact CD2-CD1 4.31Å; L145-L175 HydrophobicContact CB-CD1 3.57Å; L145-L175 HydrophobicContact CB-CD2 3.99Å; L145-L175 HydrophobicContact CB-CG 4.42Å; L145-L175 HydrophobicContact CD2-CD2 4.19Å; L145-I177 PolarHBondContact N-O 3.4Å; L145-L178 HydrophobicContact CB-CD1 4.06Å; L145-L178 HydrophobicContact CD2-CD1 3.98Å; L145-L178 HydrophobicContact CG-CD1 3.99Å; L145-L178 CarbonylContact O-C 3.6Å; L145-L178 VanDerWaalsContact O-CA 3.29Å; L145-L178 WeakPolarHBondContact O-CA 3.37Å; L145-D179 PolarHBondContact O-N 3.34Å |
| 146 | V | 94.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 116.5 | 173.8 | -173.8 | 0 | 0 | 0 | 0 | 108.6 | I119 I120 L121 Q122 L148 I190 | I119-V146 PolarHBondContact O-N 2.86Å; I120-V146 HydrophobicContact CG2-CB 4.4Å; L121-V146 CarbonylContact C-O 3.59Å; L121-V146 VanDerWaalsContact CA-O 3.31Å; L121-V146 WeakPolarHBondContact CA-O 3.43Å; L121-V146 WeakPolarHBondContact CB-O 3.5Å; L121-V146 PolarHBondContact N-O 2.97Å; Q122-V146 PolarHBondContact N-O 3.49Å; Q122-V146 VanDerWaalsContact OE1-CG1 3.22Å; V146-L148 WeakPolarHBondContact CG1-O 3.41Å; V146-I190 HydrophobicContact CG2-CD1 4.04Å |
| 147 | L | 94.6 | Very high | 89 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -119.8 | -21 | 177.5 | -74.6 | 158.2 | 0 | 0 | 0 | 111.5 | L121 Q122 I126 I132 L145 S155 N156 Y164 L168 D179 | L121-L147 HydrophobicContact CB-CD2 3.78Å; L121-L147 HydrophobicContact CB-CG 4.46Å; L121-L147 HydrophobicContact CD1-CD2 4.18Å; Q122-L147 WeakPolarHBondContact CA-O 3.45Å; I126-L147 HydrophobicContact CD1-CD2 3.95Å; I132-L147 HydrophobicContact CD1-CD1 3.8Å; I132-L147 HydrophobicContact CD1-CD2 4.33Å; L145-L147 HydrophobicContact CD1-CD1 4.31Å; L145-L147 HydrophobicContact CD1-CG 4.2Å; L145-L147 HydrophobicContact CD2-CD1 3.74Å; L145-L147 HydrophobicContact CD2-CG 4.48Å; L145-L147 HydrophobicContact CG-CD1 3.93Å; L145-L147 HydrophobicContact CG-CG 4.15Å; L147-S155 CarbonylContact O-C 3.57Å; L147-S155 WeakPolarHBondContact O-CA 2.91Å; L147-N156 HydrophobicContact CD2-CB 4.43Å; L147-N156 PolarHBondContact O-N 3.46Å; L147-N156 VanDerWaalsContact O-N 3.09Å; L147-N156 PolarHBondContact O-ND2 3.39Å; L147-Y164 WeakPolarHBondContact CB-OH 3.32Å; L147-Y164 HydrophobicContact CD1-CE2 4.08Å; L147-Y164 WeakPolarHBondContact CD1-OH 3.26Å; L147-L168 HydrophobicContact CD1-CD1 3.73Å; L147-D179 PolarHBondContact N-OD1 3.09Å |
| 148 | L | 92.6 | Very high | 89.1 | Confident | 49 Ų | 49 | 43.5 Ų | 43.5 | 26% | 0.257 | 25% | 0.249 | S | C | . | . | B | Isolated β-bridge | trans | -126.3 | 132.5 | 170.7 | 160.7 | 67.8 | 0 | 0 | 0 | 109.2 | V146 D154 C159 D179 | V146-L148 WeakPolarHBondContact CG1-O 3.41Å; L148-D154 CarbonylContact C-O 3.05Å; L148-D154 WeakPolarHBondContact CA-O 3.5Å; L148-C159 HydrophobicContact CB-CB 4.33Å; L148-D179 HydrophobicContact CB-CB 4.26Å; L148-D179 PolarHBondContact N-OD1 2.83Å; L148-D179 WeakPolarHBondContact O-CB 3.41Å |
| 149 | N | 84.9 | Confident | 89.1 | Confident | 25 Ų | 25 | 40.8 Ų | 40.8 | 13% | 0.134 | 24% | 0.235 | C | C | . | . | trans | -100 | 110.2 | 161.6 | -178.5 | -11.2 | 0 | 0 | 0 | 109.2 | Q122 Q151 T152 G153 D154 | Q122-N149 HydrophobicContact CG-CB 4.15Å; N149-Q151 PolarHBondContact O-N 3.45Å; N149-Q151 WeakPolarHBondContact OD1-CB 3.47Å; N149-Q151 PolarHBondContact OD1-N 2.91Å; N149-T152 PolarHBondContact O-N 3.3Å; N149-G153 WeakPolarHBondContact O-CA 3.43Å; N149-G153 PolarHBondContact O-N 3.31Å; N149-D154 PolarHBondContact N-O 2.82Å | ||
| 150 | P | 77.8 | Confident | 88.9 | Confident | 84 Ų | 84 | 45.6 Ų | 45.6 | 55% | 0.545 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -15.1 | -177.2 | 29 | -35.2 | 0 | 0 | 0 | 113.9 | ||
| 151 | Q | 75.5 | Confident | 89.1 | Confident | 175 Ų | 175 | 45.8 Ų | 45.8 | 82% | 0.818 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -35.2 | 178.1 | -62.3 | -174.7 | -7.3 | 0 | 0 | 112.7 | N149 | N149-Q151 PolarHBondContact O-N 3.45Å; N149-Q151 WeakPolarHBondContact OD1-CB 3.47Å; N149-Q151 PolarHBondContact OD1-N 2.91Å |
| 152 | T | 78.5 | Confident | 88.8 | Confident | 81 Ų | 81 | 48 Ų | 48 | 50% | 0.497 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | -19.6 | -179 | 64 | 0 | 0 | 0 | 0 | 113 | N149 D154 | N149-T152 PolarHBondContact O-N 3.3Å; T152-D154 WeakPolarHBondContact CB-OD2 3.36Å; T152-D154 PolarHBondContact O-N 3.41Å; T152-D154 PolarHBondContact OG1-N 2.97Å; T152-D154 PolarHBondContact OG1-OD2 3.24Å |
| 153 | G | 81 | Confident | 88.6 | Confident | 49 Ų | 49 | 53.3 Ų | 53.3 | 51% | 0.505 | 31% | 0.31 | S | S | . | . | trans | 82.9 | -5.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | N149 S155 | N149-G153 WeakPolarHBondContact O-CA 3.43Å; N149-G153 PolarHBondContact O-N 3.31Å; G153-S155 PolarHBondContact O-N 2.66Å; G153-S155 PolarHBondContact O-OG 3.17Å | ||
| 154 | D | 85.5 | Confident | 88.7 | Confident | 56 Ų | 56 | 50.1 Ų | 50.1 | 30% | 0.299 | 30% | 0.298 | S | S | . | . | trans | -65.6 | 123.6 | 180 | -62.3 | -62.2 | 0 | 0 | 0 | 110.5 | F97 L148 N149 T152 | F97-D154 HydrophobicContact CE1-CB 3.81Å; F97-D154 VanDerWaalsContact CE1-OD2 3.32Å; F97-D154 WeakPolarHBondContact CE1-OD2 3.49Å; F97-D154 HydrophobicContact CZ-CB 3.94Å; F97-D154 VanDerWaalsContact CZ-OD2 3.29Å; F97-D154 WeakPolarHBondContact CZ-OD2 3.43Å; L148-D154 CarbonylContact C-O 3.05Å; L148-D154 WeakPolarHBondContact CA-O 3.5Å; N149-D154 PolarHBondContact N-O 2.82Å; T152-D154 WeakPolarHBondContact CB-OD2 3.36Å; T152-D154 PolarHBondContact O-N 3.41Å; T152-D154 PolarHBondContact OG1-N 2.97Å; T152-D154 PolarHBondContact OG1-OD2 3.24Å | ||
| 155 | S | 90.3 | Very high | 88.6 | Confident | 44 Ų | 44 | 53 Ų | 53 | 31% | 0.308 | 31% | 0.308 | S | S | . | . | B | Isolated β-bridge | trans | -145.6 | 166.9 | -170.4 | 50.2 | 0 | 0 | 0 | 0 | 111.6 | L147 G153 | L147-S155 CarbonylContact O-C 3.57Å; L147-S155 WeakPolarHBondContact O-CA 2.91Å; G153-S155 PolarHBondContact O-N 2.66Å; G153-S155 PolarHBondContact O-OG 3.17Å |
| 156 | N | 94.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 33% | 0.33 | C | S | . | . | trans | -93.4 | 149.3 | 164.8 | -77.2 | -100.9 | 0 | 0 | 0 | 109 | L121 N124 I126 L147 V158 C159 | L121-N156 PolarHBondContact O-ND2 2.95Å; N124-N156 WeakPolarHBondContact CA-OD1 3.29Å; N124-N156 WeakPolarHBondContact CB-OD1 3.48Å; N124-N156 PolarHBondContact O-OD1 3.03Å; I126-N156 HydrophobicContact CB-CB 4.26Å; I126-N156 VanDerWaalsContact CB-OD1 3.29Å; I126-N156 WeakPolarHBondContact CB-OD1 3.46Å; I126-N156 WeakPolarHBondContact CD1-OD1 3.38Å; I126-N156 VanDerWaalsContact CG1-OD1 3.32Å; I126-N156 WeakPolarHBondContact CG1-OD1 3.3Å; I126-N156 PolarHBondContact N-OD1 2.84Å; I126-N156 VanDerWaalsContact N-OD1 3.09Å; L147-N156 HydrophobicContact CD2-CB 4.43Å; L147-N156 PolarHBondContact O-N 3.46Å; L147-N156 VanDerWaalsContact O-N 3.09Å; L147-N156 PolarHBondContact O-ND2 3.39Å; N156-V158 HydrophobicContact CB-CG1 3.76Å; N156-V158 PolarHBondContact O-N 2.95Å; N156-C159 VanDerWaalsContact O-CB 3.25Å; N156-C159 WeakPolarHBondContact O-CB 3.45Å; N156-C159 PolarHBondContact O-N 3.23Å; N156-C159 PolarHBondContact O-SG 3.41Å | ||
| 157 | P | 93.2 | Very high | 88.4 | Confident | 50 Ų | 50 | 59.4 Ų | 59.4 | 33% | 0.325 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -52.7 | -30.4 | 177.4 | -28.4 | 34.1 | 0 | 0 | 0 | 114.5 | N124 I126 Q127 C159 C160 | N124-P157 WeakPolarHBondContact O-CD 3.41Å; I126-P157 WeakPolarHBondContact O-CD 3.27Å; Q127-P157 HydrophobicContact CG-CB 4.05Å; Q127-P157 HydrophobicContact CG-CG 4.2Å; P157-C159 PolarHBondContact O-N 2.97Å; P157-C160 WeakPolarHBondContact O-CB 3.41Å; P157-C160 PolarHBondContact O-N 3.48Å; P157-C160 VanDerWaalsContact O-N 3.14Å |
| 158 | V | 93 | Very high | 88.4 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -58.5 | -28.3 | 173.5 | 72.6 | 0 | 0 | 0 | 0 | 114 | I126 K129 I132 N156 C160 E161 Y164 | I126-V158 WeakPolarHBondContact O-CB 3.4Å; I126-V158 PolarHBondContact O-N 3.28Å; K129-V158 HydrophobicContact CB-CG2 3.93Å; K129-V158 VanDerWaalsContact N-CG2 3.32Å; I132-V158 HydrophobicContact CD1-CB 4.33Å; I132-V158 HydrophobicContact CD1-CG1 3.76Å; I132-V158 HydrophobicContact CD1-CG2 4.01Å; N156-V158 HydrophobicContact CB-CG1 3.76Å; N156-V158 PolarHBondContact O-N 2.95Å; V158-C160 PolarHBondContact O-N 3Å; V158-E161 WeakPolarHBondContact O-CB 3.5Å; V158-E161 PolarHBondContact O-N 3.31Å; V158-Y164 HydrophobicContact CG1-CD2 4.26Å; V158-Y164 HydrophobicContact CG1-CE2 4Å; V158-Y164 HydrophobicContact CG2-CD2 4.03Å; V158-Y164 HydrophobicContact CG2-CE2 4.46Å; V158-Y164 WeakPolarHBondContact O-CD2 3.37Å |
| 159 | C | 90.9 | Very high | 88.4 | Confident | 23 Ų | 23 | 58.4 Ų | 58.4 | 16% | 0.155 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -69.1 | -15.2 | 179.5 | -57.7 | 0 | 0 | 0 | 0 | 112.4 | L148 N156 P157 Y164 | L148-C159 HydrophobicContact CB-CB 4.33Å; N156-C159 VanDerWaalsContact O-CB 3.25Å; N156-C159 WeakPolarHBondContact O-CB 3.45Å; N156-C159 PolarHBondContact O-N 3.23Å; N156-C159 PolarHBondContact O-SG 3.41Å; P157-C159 PolarHBondContact O-N 2.97Å; C159-Y164 HydrophobicContact CB-CD1 4.3Å; C159-Y164 HydrophobicContact CB-CE1 4.16Å |
| 160 | C | 89.6 | Confident | 88.7 | Confident | 106 Ų | 106 | 63.7 Ų | 63.7 | 72% | 0.716 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -86.7 | -6.5 | 172.9 | -57.3 | 0 | 0 | 0 | 0 | 113.2 | P157 V158 | P157-C160 WeakPolarHBondContact O-CB 3.41Å; P157-C160 PolarHBondContact O-N 3.48Å; P157-C160 VanDerWaalsContact O-N 3.14Å; V158-C160 PolarHBondContact O-N 3Å |
| 161 | E | 90.2 | Very high | 89.3 | Confident | 78 Ų | 78 | 60.9 Ų | 60.9 | 36% | 0.364 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -71.4 | 140.9 | 174.8 | -70.1 | -141.6 | 138.7 | 0 | 0 | 111.6 | K129 V158 D163 Y164 | K129-E161 WeakPolarHBondContact CD-OE2 3.35Å; K129-E161 WeakPolarHBondContact CE-OE2 3.45Å; K129-E161 WeakPolarHBondContact CG-OE2 3.24Å; K129-E161 IonicContact NZ-OE2 3.48Å; V158-E161 WeakPolarHBondContact O-CB 3.5Å; V158-E161 PolarHBondContact O-N 3.31Å; E161-D163 PolarHBondContact O-N 3.04Å; E161-Y164 VanDerWaalsContact O-CB 3.24Å; E161-Y164 WeakPolarHBondContact O-CB 3.38Å; E161-Y164 PolarHBondContact O-N 3.31Å |
| 162 | P | 85.6 | Confident | 90.2 | Very high | 100 Ų | 100 | 52.6 Ų | 52.6 | 65% | 0.649 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 139.9 | 170.4 | -24.3 | 34 | 0 | 0 | 0 | 111.5 | Y164 | P162-Y164 PolarHBondContact O-N 3.34Š|
| 163 | D | 88.9 | Confident | 90.7 | Very high | 111 Ų | 111 | 53.1 Ų | 53.1 | 59% | 0.594 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 13.1 | 179 | -57.8 | -48.3 | 0 | 0 | 0 | 115.8 | E161 R165 L166 D167 | E161-D163 PolarHBondContact O-N 3.04Å; D163-R165 VanDerWaalsContact C-N 3.3Å; D163-R165 PolarHBondContact O-N 3.46Å; D163-R165 VanDerWaalsContact O-N 3.09Å; D163-L166 HydrophobicContact CB-CB 4.33Å; D163-L166 WeakPolarHBondContact O-CA 3.41Å; D163-L166 WeakPolarHBondContact O-CB 3.45Å; D163-L166 PolarHBondContact O-N 3.12Å; D163-D167 PolarHBondContact O-N 3.45Å |
| 164 | Y | 93.4 | Very high | 91.2 | Very high | 9 Ų | 9 | 52.3 Ų | 52.3 | 4% | 0.035 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -42.3 | -49.6 | -179.8 | 147.2 | -99.3 | 0 | 0 | 0 | 114 | L147 V158 C159 E161 P162 L168 D179 | L147-Y164 WeakPolarHBondContact CB-OH 3.32Å; L147-Y164 HydrophobicContact CD1-CE2 4.08Å; L147-Y164 WeakPolarHBondContact CD1-OH 3.26Å; V158-Y164 HydrophobicContact CG1-CD2 4.26Å; V158-Y164 HydrophobicContact CG1-CE2 4Å; V158-Y164 HydrophobicContact CG2-CD2 4.03Å; V158-Y164 HydrophobicContact CG2-CE2 4.46Å; V158-Y164 WeakPolarHBondContact O-CD2 3.37Å; C159-Y164 HydrophobicContact CB-CD1 4.3Å; C159-Y164 HydrophobicContact CB-CE1 4.16Å; E161-Y164 VanDerWaalsContact O-CB 3.24Å; E161-Y164 WeakPolarHBondContact O-CB 3.38Å; E161-Y164 PolarHBondContact O-N 3.31Å; P162-Y164 PolarHBondContact O-N 3.34Å; Y164-L168 HydrophobicContact CD2-CD1 4.08Å; Y164-L168 HydrophobicContact CD2-CG 4.17Å; Y164-L168 HydrophobicContact CE2-CD1 3.35Å; Y164-L168 HydrophobicContact CE2-CG 3.93Å; Y164-L168 WeakPolarHBondContact O-CG 3.49Å; Y164-L168 PolarHBondContact O-N 2.95Å; Y164-D179 WeakPolarHBondContact CE1-OD2 3.38Å; Y164-D179 PolarHBondContact OH-OD1 3.45Å; Y164-D179 PolarHBondContact OH-OD2 2.94Å |
| 165 | R | 92.1 | Very high | 91.6 | Very high | 72 Ų | 72 | 49.6 Ų | 49.6 | 27% | 0.272 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.4 | -40.2 | 178.8 | -74.3 | -173.3 | 60.9 | 78.8 | 0.3 | 112.7 | D163 L169 L178 D179 V181 | D163-R165 VanDerWaalsContact C-N 3.3Å; D163-R165 PolarHBondContact O-N 3.46Å; D163-R165 VanDerWaalsContact O-N 3.09Å; R165-L169 WeakPolarHBondContact O-CB 3.39Å; R165-L169 VanDerWaalsContact O-CG 3.25Å; R165-L169 WeakPolarHBondContact O-CG 3.47Å; R165-L169 PolarHBondContact O-N 3.48Å; R165-L178 HydrophobicContact CB-CD2 4.12Å; R165-L178 HydrophobicContact CG-CD2 4.02Å; R165-L178 VanDerWaalsContact NH1-C 3.33Å; R165-L178 PolarHBondContact NH1-O 2.98Å; R165-L178 PolarHBondContact NH2-O 2.74Å; R165-D179 IonicContact NH1-OD2 3.67Å; R165-D179 PolarHBondContact NH1-OD2 3.43Å; R165-V181 PolarHBondContact NH2-O 2.94Å |
| 166 | L | 90.9 | Very high | 91.6 | Very high | 89 Ų | 89 | 52.7 Ų | 52.7 | 47% | 0.466 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -68.6 | -46.7 | -178.8 | -176.6 | 63.2 | 0 | 0 | 0 | 110 | D163 L168 L169 Q170 | D163-L166 HydrophobicContact CB-CB 4.33Å; D163-L166 WeakPolarHBondContact O-CA 3.41Å; D163-L166 WeakPolarHBondContact O-CB 3.45Å; D163-L166 PolarHBondContact O-N 3.12Å; L166-L168 PolarHBondContact O-N 3.22Å; L166-L169 PolarHBondContact O-N 2.93Å; L166-Q170 HydrophobicContact CD1-CG 4.39Å; L166-Q170 WeakPolarHBondContact O-CB 3.31Å; L166-Q170 VanDerWaalsContact O-CG 3.32Å; L166-Q170 WeakPolarHBondContact O-CG 3.48Å; L166-Q170 PolarHBondContact O-N 3.17Å |
| 167 | D | 93.5 | Very high | 91.5 | Very high | 47 Ų | 47 | 54.3 Ų | 54.3 | 25% | 0.251 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.4 | -43.7 | 176.9 | -76.6 | -12.9 | 0 | 0 | 0 | 112.1 | K129 D163 G171 | K129-D167 HydrophobicContact CD-CB 4.28Å; K129-D167 VanDerWaalsContact CD-OD2 3.26Å; K129-D167 WeakPolarHBondContact CD-OD2 3.42Å; K129-D167 VanDerWaalsContact CE-OD2 3.29Å; K129-D167 WeakPolarHBondContact CE-OD2 3.37Å; K129-D167 IonicContact NZ-OD2 3.76Å; K129-D167 PolarHBondContact NZ-OD2 3.47Å; D163-D167 PolarHBondContact O-N 3.45Å; D167-G171 PolarHBondContact O-N 2.98Å |
| 168 | L | 94.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.8 | -43.8 | 175.8 | -72.8 | -159.9 | 0 | 0 | 0 | 112.6 | I132 L133 L145 L147 Y164 L166 Q170 G171 L172 L178 | I132-L168 HydrophobicContact CB-CD2 4.05Å; I132-L168 HydrophobicContact CD1-CD1 4.45Å; I132-L168 HydrophobicContact CG2-CD1 4.04Å; I132-L168 HydrophobicContact CG2-CD2 3.73Å; L133-L168 HydrophobicContact CD2-CD2 3.7Å; L133-L168 HydrophobicContact CG-CD2 4Å; L145-L168 HydrophobicContact CD2-CD1 4.26Å; L147-L168 HydrophobicContact CD1-CD1 3.73Å; Y164-L168 HydrophobicContact CD2-CD1 4.08Å; Y164-L168 HydrophobicContact CD2-CG 4.17Å; Y164-L168 HydrophobicContact CE2-CD1 3.35Å; Y164-L168 HydrophobicContact CE2-CG 3.93Å; Y164-L168 WeakPolarHBondContact O-CG 3.49Å; Y164-L168 PolarHBondContact O-N 2.95Å; L166-L168 PolarHBondContact O-N 3.22Å; L168-Q170 VanDerWaalsContact C-N 3.34Å; L168-Q170 PolarHBondContact O-N 3.34Å; L168-G171 PolarHBondContact O-N 3.46Å; L168-L172 VanDerWaalsContact O-CB 3.27Å; L168-L172 WeakPolarHBondContact O-CB 3.4Å; L168-L172 PolarHBondContact O-N 3.08Å; L168-L178 HydrophobicContact CB-CD2 3.99Å; L168-L178 HydrophobicContact CD1-CD1 4.21Å; L168-L178 HydrophobicContact CD1-CD2 4.35Å |
| 169 | L | 93.1 | Very high | 91.5 | Very high | 27 Ų | 27 | 52.1 Ų | 52.1 | 14% | 0.141 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -70.2 | -29.4 | -179.5 | -71.4 | 172 | 0 | 0 | 0 | 113.1 | R165 L166 L175 L178 R183 | R165-L169 WeakPolarHBondContact O-CB 3.39Å; R165-L169 VanDerWaalsContact O-CG 3.25Å; R165-L169 WeakPolarHBondContact O-CG 3.47Å; R165-L169 PolarHBondContact O-N 3.48Å; L166-L169 PolarHBondContact O-N 2.93Å; L169-L175 HydrophobicContact CD2-CD2 4.17Å; L169-L178 HydrophobicContact CD2-CB 4.08Å; L169-L178 HydrophobicContact CD2-CD2 4.5Å; L169-L178 HydrophobicContact CG-CB 4.49Å; L169-L178 HydrophobicContact CG-CD2 4.12Å; L169-R183 HydrophobicContact CD2-CG 4.13Å; L169-R183 PolarHBondContact O-NH2 2.99Å |
| 170 | Q | 90.5 | Very high | 91.3 | Very high | 136 Ų | 136 | 52.7 Ų | 52.7 | 64% | 0.636 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -75.3 | -43.7 | 171.1 | -71.8 | -174.5 | 22.5 | 0 | 0 | 112.1 | L166 L168 | L166-Q170 HydrophobicContact CD1-CG 4.39Å; L166-Q170 WeakPolarHBondContact O-CB 3.31Å; L166-Q170 VanDerWaalsContact O-CG 3.32Å; L166-Q170 WeakPolarHBondContact O-CG 3.48Å; L166-Q170 PolarHBondContact O-N 3.17Å; L168-Q170 VanDerWaalsContact C-N 3.34Å; L168-Q170 PolarHBondContact O-N 3.34Å |
| 171 | G | 91.1 | Very high | 91.3 | Very high | 26 Ų | 26 | 49.3 Ų | 49.3 | 27% | 0.268 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -77.2 | -22.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115 | D167 L168 P173 | D167-G171 PolarHBondContact O-N 2.98Å; L168-G171 PolarHBondContact O-N 3.46Å; G171-P173 VanDerWaalsContact C-CD 3.47Å; G171-P173 VanDerWaalsContact O-CD 3.29Å; G171-P173 WeakPolarHBondContact O-CD 2.96Å |
| 172 | L | 94.3 | Very high | 91.1 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -115.1 | 74.9 | 175.9 | -55.3 | 176.8 | 0 | 0 | 0 | 110.2 | L133 L136 K137 L145 L168 Q174 L175 R183 | L133-L172 HydrophobicContact CD2-CD1 4.41Å; L133-L172 HydrophobicContact CD2-CD2 4.02Å; L133-L172 HydrophobicContact CD2-CG 3.74Å; L136-L172 HydrophobicContact CB-CD1 4.05Å; L136-L172 HydrophobicContact CB-CD2 3.94Å; L136-L172 HydrophobicContact CD1-CD1 4.2Å; K137-L172 HydrophobicContact CB-CD2 4.17Å; L145-L172 HydrophobicContact CD2-CD1 4.31Å; L168-L172 VanDerWaalsContact O-CB 3.27Å; L168-L172 WeakPolarHBondContact O-CB 3.4Å; L168-L172 PolarHBondContact O-N 3.08Å; L172-Q174 VanDerWaalsContact C-OE1 3.24Å; L172-Q174 PolarHBondContact O-N 3.24Å; L172-Q174 VanDerWaalsContact O-N 3.09Å; L172-L175 HydrophobicContact CB-CB 3.97Å; L172-L175 HydrophobicContact CD1-CD2 4.35Å; L172-L175 WeakPolarHBondContact O-CB 3.3Å; L172-L175 PolarHBondContact O-N 3.39Å; L172-R183 PolarHBondContact O-NH2 3.21Å | ||
| 173 | P | 89.9 | Confident | 91.1 | Very high | 93 Ų | 93 | 47.6 Ų | 47.6 | 60% | 0.604 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -17 | -176.6 | 26.6 | -35.9 | 0 | 0 | 0 | 114.2 | G171 R183 | G171-P173 VanDerWaalsContact C-CD 3.47Å; G171-P173 VanDerWaalsContact O-CD 3.29Å; G171-P173 WeakPolarHBondContact O-CD 2.96Å; P173-R183 PolarHBondContact O-NH2 2.79Å |
| 174 | Q | 91.3 | Very high | 90.7 | Very high | 31 Ų | 31 | 49.1 Ų | 49.1 | 15% | 0.145 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -17.8 | 173.8 | 74 | -85.3 | 33.1 | 0 | 0 | 114.1 | L136 K137 L139 L142 R143 L172 E176 | L136-Q174 PolarHBondContact O-NE2 3.3Å; L136-Q174 VanDerWaalsContact O-NE2 3.14Å; K137-Q174 PolarHBondContact O-NE2 2.99Å; L139-Q174 PolarHBondContact O-NE2 3.18Å; L139-Q174 VanDerWaalsContact O-NE2 3.14Å; L142-Q174 HydrophobicContact CB-CG 4.3Å; L142-Q174 CarbonylContact O-C 3.58Å; L142-Q174 VanDerWaalsContact O-CG 3.3Å; L142-Q174 WeakPolarHBondContact O-CG 3.5Å; R143-Q174 WeakPolarHBondContact CD-O 3.37Å; L172-Q174 VanDerWaalsContact C-OE1 3.24Å; L172-Q174 PolarHBondContact O-N 3.24Å; L172-Q174 VanDerWaalsContact O-N 3.09Å; Q174-E176 PolarHBondContact O-N 3.12Å |
| 175 | L | 93.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | trans | -79.7 | 119.9 | -172.3 | -169.9 | 72.9 | 0 | 0 | 0 | 111.1 | L142 R143 L145 L169 L172 L178 R183 | L142-L175 HydrophobicContact CD2-CD1 4.17Å; L142-L175 HydrophobicContact CG-CD1 3.96Å; R143-L175 WeakPolarHBondContact O-CD1 3.42Å; L145-L175 HydrophobicContact CB-CD1 3.57Å; L145-L175 HydrophobicContact CB-CD2 3.99Å; L145-L175 HydrophobicContact CB-CG 4.42Å; L145-L175 HydrophobicContact CD2-CD2 4.19Å; L169-L175 HydrophobicContact CD2-CD2 4.17Å; L172-L175 HydrophobicContact CB-CB 3.97Å; L172-L175 HydrophobicContact CD1-CD2 4.35Å; L172-L175 WeakPolarHBondContact O-CB 3.3Å; L172-L175 PolarHBondContact O-N 3.39Å; L175-L178 HydrophobicContact CD2-CB 4.04Å; L175-L178 HydrophobicContact CD2-CD1 4.06Å; L175-L178 HydrophobicContact CD2-CG 4.48Å; L175-R183 PolarHBondContact O-NE 3.06Å; L175-R183 PolarHBondContact O-NH2 3.39Å | ||
| 176 | E | 90.5 | Very high | 89.5 | Confident | 109 Ų | 109 | 54.9 Ų | 54.9 | 51% | 0.509 | 29% | 0.285 | S | S | . | . | trans | -91.7 | -39.3 | -178.7 | -70 | 174.8 | -169.9 | 0 | 0 | 112.3 | R143 Q174 D182 R183 | R143-E176 WeakPolarHBondContact CD-OE1 3.25Å; R143-E176 IonicContact NE-OE1 2.61Å; R143-E176 PolarHBondContact NE-OE1 2.96Å; R143-E176 PolarHBondContact O-N 3.47Å; Q174-E176 PolarHBondContact O-N 3.12Å; E176-D182 WeakPolarHBondContact O-CA 3.46Å; E176-R183 PolarHBondContact O-N 3.21Å | ||
| 177 | I | 92.1 | Very high | 88.8 | Confident | 34 Ų | 34 | 55.5 Ų | 55.5 | 17% | 0.174 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 127.8 | -176.5 | -58.4 | 166.6 | 0 | 0 | 0 | 109.7 | R143 Q144 L145 D182 T188 | R143-I177 PolarHBondContact O-N 3.45Å; Q144-I177 WeakPolarHBondContact CA-O 3.36Å; Q144-I177 HydrophobicContact CB-CB 4.38Å; Q144-I177 HydrophobicContact CG-CB 4.14Å; Q144-I177 HydrophobicContact CG-CG2 4.18Å; L145-I177 PolarHBondContact N-O 3.4Å; I177-D182 HydrophobicContact CG1-CB 4.45Å; I177-T188 HydrophobicContact CD1-CG2 4.43Å; I177-T188 WeakPolarHBondContact CG2-OG1 3.33Å |
| 178 | L | 93.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 129.6 | 172.8 | 180 | 62.4 | 0 | 0 | 0 | 108.8 | L145 R165 L168 L169 L175 H180 V181 | L145-L178 HydrophobicContact CB-CD1 4.06Å; L145-L178 HydrophobicContact CD2-CD1 3.98Å; L145-L178 HydrophobicContact CG-CD1 3.99Å; L145-L178 CarbonylContact O-C 3.6Å; L145-L178 VanDerWaalsContact O-CA 3.29Å; L145-L178 WeakPolarHBondContact O-CA 3.37Å; R165-L178 HydrophobicContact CB-CD2 4.12Å; R165-L178 HydrophobicContact CG-CD2 4.02Å; R165-L178 VanDerWaalsContact NH1-C 3.33Å; R165-L178 PolarHBondContact NH1-O 2.98Å; R165-L178 PolarHBondContact NH2-O 2.74Å; L168-L178 HydrophobicContact CB-CD2 3.99Å; L168-L178 HydrophobicContact CD1-CD1 4.21Å; L168-L178 HydrophobicContact CD1-CD2 4.35Å; L169-L178 HydrophobicContact CD2-CB 4.08Å; L169-L178 HydrophobicContact CD2-CD2 4.5Å; L169-L178 HydrophobicContact CG-CB 4.49Å; L169-L178 HydrophobicContact CG-CD2 4.12Å; L175-L178 HydrophobicContact CD2-CB 4.04Å; L175-L178 HydrophobicContact CD2-CD1 4.06Å; L175-L178 HydrophobicContact CD2-CG 4.48Å; L178-H180 VanDerWaalsContact C-N 3.34Å; L178-H180 PolarHBondContact O-N 3Å; L178-V181 PolarHBondContact N-O 3.17Å; L178-V181 CarbonylContact O-C 3.57Å; L178-V181 PolarHBondContact O-N 3.32Å |
| 179 | D | 93 | Very high | 86.2 | Confident | 3 Ų | 3 | 63.8 Ų | 63.8 | 2% | 0.016 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 49.1 | 176.7 | -48.3 | -43.7 | 0 | 0 | 0 | 112.9 | L145 L147 L148 Y164 R165 V181 | L145-D179 PolarHBondContact O-N 3.34Å; L147-D179 PolarHBondContact N-OD1 3.09Å; L148-D179 HydrophobicContact CB-CB 4.26Å; L148-D179 PolarHBondContact N-OD1 2.83Å; L148-D179 WeakPolarHBondContact O-CB 3.41Å; Y164-D179 WeakPolarHBondContact CE1-OD2 3.38Å; Y164-D179 PolarHBondContact OH-OD1 3.45Å; Y164-D179 PolarHBondContact OH-OD2 2.94Å; R165-D179 IonicContact NH1-OD2 3.67Å; R165-D179 PolarHBondContact NH1-OD2 3.43Å; D179-V181 PolarHBondContact O-N 2.69Å; D179-V181 VanDerWaalsContact O-N 3.08Å |
| 180 | H | 86.6 | Confident | 84.6 | Confident | 36 Ų | 36 | 64.4 Ų | 64.4 | 17% | 0.167 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 3.2 | -173.6 | -52.9 | -88.1 | 0 | 0 | 0 | 116.2 | L178 T188 I190 | L178-H180 VanDerWaalsContact C-N 3.34Å; L178-H180 PolarHBondContact O-N 3Å; H180-T188 PolarHBondContact O-N 3.31Å; H180-T188 PolarHBondContact O-OG1 3.33Å; H180-I190 WeakPolarHBondContact CE1-CD1 3.27Å |
| 181 | V | 88.7 | Confident | 82.9 | Confident | 35 Ų | 35 | 62.4 Ų | 62.4 | 21% | 0.212 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 125.3 | -175.1 | 176.5 | 0 | 0 | 0 | 0 | 110.4 | R165 L178 D179 G185 R186 | R165-V181 PolarHBondContact NH2-O 2.94Å; L178-V181 PolarHBondContact N-O 3.17Å; L178-V181 CarbonylContact O-C 3.57Å; L178-V181 PolarHBondContact O-N 3.32Å; D179-V181 PolarHBondContact O-N 2.69Å; D179-V181 VanDerWaalsContact O-N 3.08Å; V181-G185 VanDerWaalsContact CG1-C 3.49Å; V181-G185 VanDerWaalsContact CG1-CA 3.5Å; V181-R186 WeakPolarHBondContact CA-O 3.43Å |
| 182 | D | 87 | Confident | 81.1 | Confident | 18 Ų | 18 | 65.4 Ų | 65.4 | 10% | 0.096 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 173.2 | 178.3 | 81.1 | -2.2 | 0 | 0 | 0 | 112.8 | E176 I177 M184 G185 R186 T188 | E176-D182 WeakPolarHBondContact O-CA 3.46Å; I177-D182 HydrophobicContact CG1-CB 4.45Å; D182-M184 PolarHBondContact O-N 3.33Å; D182-M184 VanDerWaalsContact O-N 3.09Å; D182-M184 VanDerWaalsContact OD1-C 3.31Å; D182-M184 VanDerWaalsContact OD1-CA 3.27Å; D182-M184 WeakPolarHBondContact OD1-CA 3.43Å; D182-M184 WeakPolarHBondContact OD1-CB 3.41Å; D182-M184 PolarHBondContact OD1-N 2.69Å; D182-G185 PolarHBondContact O-N 2.88Å; D182-G185 PolarHBondContact OD1-N 3.04Å; D182-R186 PolarHBondContact N-O 3.42Å; D182-R186 WeakPolarHBondContact OD1-CB 3.3Å; D182-R186 PolarHBondContact OD1-N 3.27Å; D182-R186 IonicContact OD1-NE 2.75Å; D182-R186 IonicContact OD2-CZ 3.99Å; D182-R186 IonicContact OD2-NE 2.96Å; D182-R186 PolarHBondContact OD2-NE 3.48Å; D182-R186 IonicContact OD2-NH2 3.39Å; D182-R186 PolarHBondContact OD2-NH2 2.98Å; D182-T188 HydrophobicContact CB-CG2 4.37Å |
| 183 | R | 84 | Confident | 79 | Confident | 124 Ų | 124 | 68.8 Ų | 68.8 | 47% | 0.468 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -18.5 | 175.8 | -70.8 | -177.3 | 178.3 | -118.8 | -14.7 | 114.8 | L169 L172 P173 L175 E176 | L169-R183 HydrophobicContact CD2-CG 4.13Å; L169-R183 PolarHBondContact O-NH2 2.99Å; L172-R183 PolarHBondContact O-NH2 3.21Å; P173-R183 PolarHBondContact O-NH2 2.79Å; L175-R183 PolarHBondContact O-NE 3.06Å; L175-R183 PolarHBondContact O-NH2 3.39Å; E176-R183 PolarHBondContact O-N 3.21Å |
| 184 | M | 82.2 | Confident | 77.3 | Confident | 142 Ų | 142 | 67.3 Ų | 67.3 | 70% | 0.7 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | 0.4 | 178.4 | -61.1 | -176.4 | 63.1 | 0 | 0 | 112.8 | D182 R186 | D182-M184 PolarHBondContact O-N 3.33Å; D182-M184 VanDerWaalsContact O-N 3.09Å; D182-M184 VanDerWaalsContact OD1-C 3.31Å; D182-M184 VanDerWaalsContact OD1-CA 3.27Å; D182-M184 WeakPolarHBondContact OD1-CA 3.43Å; D182-M184 WeakPolarHBondContact OD1-CB 3.41Å; D182-M184 PolarHBondContact OD1-N 2.69Å; M184-R186 HydrophobicContact CB-CG 4.37Å |
| 185 | G | 79.2 | Confident | 75.6 | Confident | 57 Ų | 57 | 67.7 Ų | 67.7 | 59% | 0.588 | 36% | 0.363 | S | S | * | . | S | Bend | trans | 83.5 | 10.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | V181 D182 | V181-G185 VanDerWaalsContact CG1-C 3.49Å; V181-G185 VanDerWaalsContact CG1-CA 3.5Å; D182-G185 PolarHBondContact O-N 2.88Å; D182-G185 PolarHBondContact OD1-N 3.04Å |
| 186 | R | 81 | Confident | 73.7 | Confident | 146 Ų | 146 | 68.2 Ų | 68.2 | 55% | 0.551 | 37% | 0.366 | S | S | * | . | trans | -86.6 | 132.4 | 179.6 | -58.7 | 178.2 | -63.7 | -172 | 2 | 110.4 | V181 D182 M184 | V181-R186 WeakPolarHBondContact CA-O 3.43Å; D182-R186 PolarHBondContact N-O 3.42Å; D182-R186 WeakPolarHBondContact OD1-CB 3.3Å; D182-R186 PolarHBondContact OD1-N 3.27Å; D182-R186 IonicContact OD1-NE 2.75Å; D182-R186 IonicContact OD2-CZ 3.99Å; D182-R186 IonicContact OD2-NE 2.96Å; D182-R186 PolarHBondContact OD2-NE 3.48Å; D182-R186 IonicContact OD2-NH2 3.39Å; D182-R186 PolarHBondContact OD2-NH2 2.98Å; M184-R186 HydrophobicContact CB-CG 4.37Å | ||
| 187 | S | 75.4 | Confident | 71.8 | Confident | 102 Ų | 102 | 66.9 Ų | 66.9 | 71% | 0.713 | 37% | 0.367 | S | S | * | . | B | Isolated β-bridge | trans | -66.9 | 132.8 | 171.5 | -173.8 | 0 | 0 | 0 | 0 | 110.5 | ||
| 188 | T | 68.9 | Low | 69.8 | Low | 36 Ų | 36 | 71 Ų | 71 | 22% | 0.221 | 39% | 0.385 | C | S | . | . | trans | -127.4 | 127.5 | -180 | 52.1 | 0 | 0 | 0 | 0 | 108.7 | I177 H180 D182 | I177-T188 HydrophobicContact CD1-CG2 4.43Å; I177-T188 WeakPolarHBondContact CG2-OG1 3.33Å; H180-T188 PolarHBondContact O-N 3.31Å; H180-T188 PolarHBondContact O-OG1 3.33Å; D182-T188 HydrophobicContact CB-CG2 4.37Å | ||
| 189 | Q | 64.1 | Low | 67.6 | Low | 184 Ų | 184 | 73.5 Ų | 73.5 | 86% | 0.86 | 40% | 0.398 | S | S | * | . | trans | -76 | 147.3 | 172.4 | -76.1 | -176.7 | -25.1 | 0 | 0 | 110 | D191 | Q189-D191 PolarHBondContact O-N 3.39Š| ||
| 190 | I | 59.5 | Low | 65.3 | Low | 40 Ų | 40 | 77.8 Ų | 77.8 | 21% | 0.205 | 42% | 0.421 | C | S | . | . | trans | -79.1 | 108.7 | 171.9 | -57.8 | -170.7 | 0 | 0 | 0 | 107.2 | R92 I120 V146 H180 V192 | R92-I190 VanDerWaalsContact NH2-CG2 3.34Å; I120-I190 HydrophobicContact CD1-CD1 4Å; V146-I190 HydrophobicContact CG2-CD1 4.04Å; H180-I190 WeakPolarHBondContact CE1-CD1 3.27Å; I190-V192 PolarHBondContact O-N 3.33Å | ||
| 191 | D | 55.4 | Low | 63.3 | Low | 94 Ų | 94 | 78.4 Ų | 78.4 | 50% | 0.503 | 44% | 0.437 | S | S | . | . | trans | -72.7 | 114.3 | 166.3 | -165.8 | -24.7 | 0 | 0 | 0 | 108.7 | R92 Q189 L193 A194 | R92-D191 PolarHBondContact NH1-O 2.91Å; R92-D191 PolarHBondContact NH2-O 2.89Å; Q189-D191 PolarHBondContact O-N 3.39Å; D191-L193 PolarHBondContact OD1-N 3.06Å; D191-A194 HydrophobicContact CB-CB 4.04Å; D191-A194 PolarHBondContact OD1-N 2.7Å | ||
| 192 | V | 53.9 | Low | 61.2 | Low | 89 Ų | 89 | 81.8 Ų | 81.8 | 54% | 0.539 | 45% | 0.449 | S | S | . | . | S | Bend | trans | -77 | -27 | 179.4 | -178.2 | 0 | 0 | 0 | 0 | 111 | I190 | I190-V192 PolarHBondContact O-N 3.33Š|
| 193 | L | 48.4 | Very low | 59.1 | Low | 71 Ų | 71 | 86.5 Ų | 86.5 | 37% | 0.372 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -93.3 | -26.7 | -170.4 | -65.5 | 171.2 | 0 | 0 | 0 | 113.4 | D191 D195 L196 L199 | D191-L193 PolarHBondContact OD1-N 3.06Å; L193-D195 PolarHBondContact O-N 3.31Å; L193-L196 CarbonylContact O-C 3.17Å; L193-L196 PolarHBondContact O-N 3.25Å; L193-L199 HydrophobicContact CD2-CB 4.2Å |
| 194 | A | 55.8 | Low | 57.2 | Low | 63 Ų | 63 | 87.2 Ų | 87.2 | 52% | 0.521 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -32.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | D191 | D191-A194 HydrophobicContact CB-CB 4.04Å; D191-A194 PolarHBondContact OD1-N 2.7Å |
| 195 | D | 54.1 | Low | 55.2 | Low | 38 Ų | 38 | 86.9 Ų | 86.9 | 20% | 0.203 | 49% | 0.486 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -6.8 | -178.7 | -66.7 | -41.2 | 0 | 0 | 0 | 114.2 | V91 R92 L193 | V91-D195 HydrophobicContact CG1-CB 4.27Å; R92-D195 IonicContact CZ-OD2 2.81Å; R92-D195 IonicContact NE-OD2 2.68Å; R92-D195 IonicContact NH1-OD2 3.79Å; R92-D195 PolarHBondContact NH1-OD2 3.38Å; R92-D195 IonicContact NH2-OD2 2.7Å; L193-D195 PolarHBondContact O-N 3.31Å |
| 196 | L | 53.8 | Low | 53 | Low | 12 Ų | 12 | 90.1 Ų | 90.1 | 6% | 0.063 | 49% | 0.488 | C | S | . | . | trans | -129 | 76.1 | -179.1 | -70 | 173.1 | 0 | 0 | 0 | 111.8 | Y48 R69 V70 L193 E198 L199 | Y48-L196 HydrophobicContact CD2-CD1 3.82Å; Y48-L196 HydrophobicContact CG-CD1 4.44Å; R69-L196 HydrophobicContact CB-CD2 4.41Å; V70-L196 HydrophobicContact CG2-CD1 3.97Å; V70-L196 HydrophobicContact CG2-CG 4.24Å; L193-L196 CarbonylContact O-C 3.17Å; L193-L196 PolarHBondContact O-N 3.25Å; L196-E198 PolarHBondContact O-N 3.27Å; L196-L199 HydrophobicContact CB-CD1 4.17Å; L196-L199 HydrophobicContact CD1-CD1 3.95Å; L196-L199 PolarHBondContact O-N 3.48Å; L196-L199 VanDerWaalsContact O-N 3.08Å | ||
| 197 | P | 50.8 | Low | 50.7 | Low | 81 Ų | 81 | 87.6 Ų | 87.6 | 53% | 0.526 | 49% | 0.49 | S | S | . | . | G | 310 helix | trans | -57 | -22.3 | -176.6 | -26.2 | 34.8 | 0 | 0 | 0 | 115.6 | L199 N200 | P197-L199 VanDerWaalsContact C-N 3.33Å; P197-N200 WeakPolarHBondContact O-CB 3.34Å; P197-N200 PolarHBondContact O-N 3.06Å |
| 198 | E | 50.6 | Low | 48.9 | Very low | 120 Ų | 120 | 89.5 Ų | 89.5 | 56% | 0.561 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -73.1 | -21.8 | -179 | -75.6 | 150.7 | -133.9 | 0 | 0 | 113.3 | R47 L196 N200 | R47-E198 IonicContact CZ-OE1 2.75Å; R47-E198 IonicContact CZ-OE2 3.83Å; R47-E198 VanDerWaalsContact CZ-OE2 3.23Å; R47-E198 IonicContact NH1-OE1 3.5Å; R47-E198 PolarHBondContact NH1-OE1 3.01Å; R47-E198 IonicContact NH1-OE2 3.69Å; R47-E198 PolarHBondContact NH1-OE2 2.93Å; R47-E198 IonicContact NH2-OE1 3.94Å; R47-E198 PolarHBondContact NH2-OE1 2.91Å; R47-E198 IonicContact NH2-OE2 3.91Å; R47-E198 PolarHBondContact NH2-OE2 3.47Å; L196-E198 PolarHBondContact O-N 3.27Å; E198-N200 VanDerWaalsContact C-N 3.33Å |
| 199 | L | 46.3 | Very low | 47.1 | Very low | 53 Ų | 53 | 93 Ų | 93 | 28% | 0.277 | 52% | 0.517 | S | S | . | . | G | 310 helix | trans | -77.1 | -16.8 | 175.3 | -96.2 | 151.5 | 0 | 0 | 0 | 113.4 | L193 L196 P197 G201 F202 | L193-L199 HydrophobicContact CD2-CB 4.2Å; L196-L199 HydrophobicContact CB-CD1 4.17Å; L196-L199 HydrophobicContact CD1-CD1 3.95Å; L196-L199 PolarHBondContact O-N 3.48Å; L196-L199 VanDerWaalsContact O-N 3.08Å; P197-L199 VanDerWaalsContact C-N 3.33Å; L199-G201 PolarHBondContact O-N 3.44Å; L199-G201 VanDerWaalsContact O-N 3.14Å; L199-F202 HydrophobicContact CD2-CD2 4.16Å; L199-F202 PolarHBondContact O-N 3.2Å; L199-F202 VanDerWaalsContact O-N 3.1Å |
| 200 | N | 45.4 | Very low | 45.7 | Very low | 92 Ų | 92 | 89.8 Ų | 89.8 | 49% | 0.492 | 52% | 0.515 | S | S | . | . | G | 310 helix | trans | -61 | -25.2 | 179.1 | -71.7 | -16.2 | 0 | 0 | 0 | 113 | P197 E198 F202 L203 | P197-N200 WeakPolarHBondContact O-CB 3.34Å; P197-N200 PolarHBondContact O-N 3.06Å; E198-N200 VanDerWaalsContact C-N 3.33Å; N200-F202 PolarHBondContact O-N 3.36Å; N200-F202 VanDerWaalsContact O-N 3.15Å; N200-L203 PolarHBondContact O-N 3.38Å |
| 201 | G | 45.6 | Very low | 44.3 | Very low | 50 Ų | 50 | 94.5 Ų | 94.5 | 52% | 0.515 | 54% | 0.54 | S | S | . | . | G | 310 helix | trans | -64.9 | -12.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L199 | L199-G201 PolarHBondContact O-N 3.44Å; L199-G201 VanDerWaalsContact O-N 3.14Å |
| 202 | F | 44.8 | Very low | 43.2 | Very low | 105 Ų | 105 | 98.5 Ų | 98.5 | 46% | 0.461 | 56% | 0.56 | S | S | . | * | G | 310 helix | trans | -93.3 | -12.7 | 178.8 | -69.8 | -77.6 | 0 | 0 | 0 | 114.4 | L199 N200 D204 M205 | L199-F202 HydrophobicContact CD2-CD2 4.16Å; L199-F202 PolarHBondContact O-N 3.2Å; L199-F202 VanDerWaalsContact O-N 3.1Å; N200-F202 PolarHBondContact O-N 3.36Å; N200-F202 VanDerWaalsContact O-N 3.15Å; F202-D204 VanDerWaalsContact C-N 3.26Å; F202-D204 PolarHBondContact O-N 3.49Å; F202-M205 PolarHBondContact O-N 3.41Å; F202-M205 VanDerWaalsContact O-N 3.13Å |
| 203 | L | 41.4 | Very low | 41.8 | Very low | 117 Ų | 117 | 97.4 Ų | 97.4 | 61% | 0.613 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -62.5 | -37.5 | 172.3 | -117.2 | 81.7 | 0 | 0 | 0 | 111.3 | N200 M205 | N200-L203 PolarHBondContact O-N 3.38Å; L203-M205 PolarHBondContact O-N 2.94Å |
| 204 | D | 44.4 | Very low | 40.8 | Very low | 139 Ų | 139 | 99.7 Ų | 99.7 | 74% | 0.743 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -71.8 | -12.8 | 177 | -71.6 | -17 | 0 | 0 | 0 | 113.5 | F202 | F202-D204 VanDerWaalsContact C-N 3.26Å; F202-D204 PolarHBondContact O-N 3.49Å |
| 205 | M | 40.3 | Very low | 39.5 | Very low | 136 Ų | 136 | 104.4 Ų | 104.4 | 67% | 0.67 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -97.5 | -2.2 | -178 | -67.3 | -65.7 | 111.4 | 0 | 0 | 113.9 | F202 L203 P207 | F202-M205 PolarHBondContact O-N 3.41Å; F202-M205 VanDerWaalsContact O-N 3.13Å; L203-M205 PolarHBondContact O-N 2.94Å; M205-P207 WeakPolarHBondContact O-CD 3.43Å |
| 206 | I | 33 | Very low | 38.3 | Very low | 124 Ų | 124 | 110 Ų | 110 | 64% | 0.636 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -89.7 | 110.4 | 167.6 | -58.9 | 179.5 | 0 | 0 | 0 | 107.7 | I208 | I206-I208 PolarHBondContact O-N 3.47Š|
| 207 | P | 33.6 | Very low | 36.9 | Very low | 93 Ų | 93 | 116.2 Ų | 116.2 | 60% | 0.604 | 66% | 0.663 | S | S | * | * | trans | -68.5 | 110.1 | -171.2 | -19.9 | 33.5 | 0 | 0 | 0 | 112.1 | M205 S209 | M205-P207 WeakPolarHBondContact O-CD 3.43Å; P207-S209 PolarHBondContact O-N 2.93Å | ||
| 208 | I | 35.8 | Very low | 35.9 | Very low | 143 Ų | 143 | 124 Ų | 124 | 73% | 0.733 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -61.6 | -14.6 | 177.9 | -63.8 | 171.6 | 0 | 0 | 0 | 112.2 | I206 S210 L211 | I206-I208 PolarHBondContact O-N 3.47Å; I208-S210 PolarHBondContact O-N 3.14Å; I208-L211 PolarHBondContact O-N 3.35Å |
| 209 | S | 32.2 | Very low | 34.7 | Very low | 109 Ų | 109 | 126.7 Ų | 126.7 | 76% | 0.762 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -63.6 | 5.7 | 178.8 | 49.5 | 0 | 0 | 0 | 0 | 116.5 | P207 | P207-S209 PolarHBondContact O-N 2.93Š|
| 210 | S | 35 | Very low | 33.9 | Very low | 116 Ų | 116 | 133 Ų | 133 | 81% | 0.811 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -97.4 | 0.3 | 166.9 | -60 | 0 | 0 | 0 | 0 | 114.1 | I208 | I208-S210 PolarHBondContact O-N 3.14Š|
| 211 | L | 29.9 | Very low | 32.9 | Very low | 140 Ų | 140 | 137.1 Ų | 137.1 | 73% | 0.733 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -118.9 | 114.8 | 174.1 | -82.9 | 158.5 | 0 | 0 | 0 | 110.4 | I208 | I208-L211 PolarHBondContact O-N 3.35Š|
| 212 | L | 31.2 | Very low | 32 | Very low | 177 Ų | 177 | 140.3 Ų | 140.3 | 93% | 0.927 | 74% | 0.744 | S | S | * | * | trans | 73.3 | 111.4 | 177.4 | -55.5 | 166.5 | 0 | 0 | 0 | 115.2 | ||||
| 213 | G | 25.9 | Very low | 31.3 | Very low | 67 Ų | 67 | 143 Ų | 143 | 69% | 0.691 | 76% | 0.755 | S | S | * | * | trans | -89.3 | 164.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 214 | S | 26.3 | Very low | 30.5 | Very low | 119 Ų | 119 | 147.2 Ų | 147.2 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | trans | 52.5 | 106.3 | 168.5 | 60.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 215 | D | 29.8 | Very low | 29.6 | Very low | 162 Ų | 162 | 148 Ų | 148 | 87% | 0.866 | 77% | 0.772 | S | S | * | * | -149.1 | 166.1 | 118.4 | -129.9 | -29.4 | 0 | 0 | 0 | 113.6 | |||||
| 216 | H | 28 | Very low | 29 | Very low | 156 Ų | 156 | 148.5 Ų | 148.5 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | trans | -76.9 | 146.9 | -159.8 | -93.6 | -68.8 | 0 | 0 | 0 | 117.6 | ||||
| 217 | L | 25.4 | Very low | 28.7 | Very low | 141 Ų | 141 | 146.5 Ų | 146.5 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | trans | 37.6 | 117.5 | 136 | -60.8 | 165.7 | 0 | 0 | 0 | 119 | ||||
| 218 | R | 28.3 | Very low | 28.4 | Very low | 245 Ų | 245 | 148.7 Ų | 148.7 | 93% | 0.925 | 78% | 0.781 | S | S | * | * | -149.8 | 125.5 | 129.7 | -113.5 | 164.2 | -166.7 | 170.9 | 5.1 | 111.8 | |||||
| 219 | E | 25 | Very low | 28.1 | Very low | 177 Ų | 177 | 151.5 Ų | 151.5 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | trans | -73.8 | 131.9 | 167.1 | -62.4 | 160.3 | 137.1 | 0 | 0 | 108.1 | ||||
| 220 | E | 29.7 | Very low | 27.8 | Very low | 184 Ų | 184 | 153 Ų | 153 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | -125.6 | 106.7 | 156.2 | -88.8 | -81.7 | 134.5 | 0 | 0 | 105.7 | ||||
| 221 | E | 24.9 | Very low | 27.4 | Very low | 180 Ų | 180 | 155.7 Ų | 155.7 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | trans | -67.2 | 132.1 | 168.1 | -52.7 | 177.7 | 115.7 | 0 | 0 | 108.3 | ||||
| 222 | D | 27.3 | Very low | 27.2 | Very low | 117 Ų | 117 | 156.8 Ų | 156.8 | 63% | 0.626 | 80% | 0.795 | S | S | * | * | trans | -157.7 | 143.2 | 145.8 | -121.9 | -29.6 | 0 | 0 | 0 | 117.9 | ||||
| 223 | K | 29.3 | Very low | 26.9 | Very low | 161 Ų | 161 | 156.2 Ų | 156.2 | 70% | 0.7 | 79% | 0.788 | S | S | * | * | trans | 50.1 | 85.4 | 154.1 | -74.1 | 141.3 | -164.5 | 146.3 | 0 | 119.5 | L225 | K223-L225 PolarHBondContact O-N 3.05Š| ||
| 224 | K | 24.1 | Very low | 27 | Very low | 206 Ų | 206 | 160.8 Ų | 160.8 | 90% | 0.896 | 80% | 0.795 | S | S | * | * | -37.5 | 123.2 | 128.5 | -62.7 | 167.1 | 179.2 | 168.2 | 0 | 112.3 | |||||
| 225 | L | 27.5 | Very low | 26.9 | Very low | 155 Ų | 155 | 160 Ų | 160 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | trans | -136.2 | 116.4 | 143.4 | -85.4 | 165.4 | 0 | 0 | 0 | 104.8 | K223 | K223-L225 PolarHBondContact O-N 3.05Š| ||
| 226 | N | 26.2 | Very low | 26.9 | Very low | 146 Ų | 146 | 162.3 Ų | 162.3 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | 44.3 | 128.5 | 85.7 | -91.7 | 7.2 | 0 | 0 | 0 | 112.8 | |||||
| 227 | S | 28.2 | Very low | 26.8 | Very low | 83 Ų | 83 | 164 Ų | 164 | 58% | 0.58 | 80% | 0.798 | S | S | * | * | cis | -176.6 | 156.7 | 4.2 | 43.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 228 | N | 27 | Very low | 26.8 | Very low | 138 Ų | 138 | 162.1 Ų | 162.1 | 74% | 0.738 | 80% | 0.797 | S | S | * | * | trans | 58.7 | 97.4 | 156.2 | -48.8 | -15.1 | 0 | 0 | 0 | 117.2 | ||||
| 229 | E | 28.2 | Very low | 26.7 | Very low | 202 Ų | 202 | 155.5 Ų | 155.5 | 94% | 0.944 | 79% | 0.794 | S | S | * | * | trans | -124.9 | 143.3 | 131 | -79.1 | -160.7 | 152.4 | 0 | 0 | 109.2 | ||||
| 230 | D | 27.1 | Very low | 26.7 | Very low | 141 Ų | 141 | 153 Ų | 153 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | trans | -86.9 | 158.2 | -153 | -85.7 | -59.5 | 0 | 0 | 0 | 115.8 | I232 | D230-I232 PolarHBondContact O-N 2.96Š| ||
| 231 | Q | 25.1 | Very low | 26.6 | Very low | 173 Ų | 173 | 152.8 Ų | 152.8 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | trans | -44.1 | 116.5 | 169.3 | -58.3 | 161.5 | 23.7 | 0 | 0 | 112.8 | ||||
| 232 | I | 26.3 | Very low | 26.6 | Very low | 163 Ų | 163 | 152.9 Ų | 152.9 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | trans | -116.8 | 102 | 147.2 | -61.6 | -174.7 | 0 | 0 | 0 | 108.9 | D230 | D230-I232 PolarHBondContact O-N 2.96Š| ||
| 233 | H | 26.3 | Very low | 26.4 | Very low | 165 Ų | 165 | 153.7 Ų | 153.7 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | trans | -72.7 | 123.2 | 176.8 | -138.9 | -37.9 | 0 | 0 | 0 | 109.7 | ||||
| 234 | L | 26.2 | Very low | 26.3 | Very low | 163 Ų | 163 | 154.4 Ų | 154.4 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | -158 | 133.5 | 147.6 | -105.4 | 144.6 | 0 | 0 | 0 | 110 | ||||
| 235 | P | 26.1 | Very low | 26.4 | Very low | 102 Ų | 102 | 151.1 Ų | 151.1 | 66% | 0.662 | 79% | 0.787 | S | S | * | * | trans | -96.9 | 128.5 | -160 | 15.2 | 3 | 0 | 0 | 0 | 112.2 | ||||
| 236 | K | 28.4 | Very low | 26.2 | Very low | 210 Ų | 210 | 150.5 Ų | 150.5 | 91% | 0.913 | 78% | 0.782 | S | S | * | * | trans | -86.8 | 112.8 | 160 | -74.4 | -177.3 | 177.4 | 176.6 | 0 | 108.6 | S238 | K236-S238 PolarHBondContact O-N 3.06Š| ||
| 237 | Q | 26.9 | Very low | 26.4 | Very low | 193 Ų | 193 | 153 Ų | 153 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | trans | -61.4 | 128.1 | 174.6 | -74 | 176.2 | -26.1 | 0 | 0 | 110.2 | A239 | Q237-A239 PolarHBondContact O-N 3.31Š| ||
| 238 | S | 24.8 | Very low | 26.3 | Very low | 101 Ų | 101 | 154.4 Ų | 154.4 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | trans | -69.4 | 115.1 | 172.2 | 45.3 | 0 | 0 | 0 | 0 | 110.1 | K236 D240 | K236-S238 PolarHBondContact O-N 3.06Å; S238-D240 VanDerWaalsContact C-N 3.32Å; S238-D240 PolarHBondContact O-N 2.87Å | ||
| 239 | A | 26.2 | Very low | 26.5 | Very low | 105 Ų | 105 | 151.8 Ų | 151.8 | 87% | 0.868 | 80% | 0.795 | S | S | * | * | trans | -74.3 | 88.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | Q237 K241 | Q237-A239 PolarHBondContact O-N 3.31Å; A239-K241 PolarHBondContact O-N 2.74Å | ||
| 240 | D | 25 | Very low | 26.6 | Very low | 125 Ų | 125 | 148.8 Ų | 148.8 | 67% | 0.668 | 79% | 0.791 | S | S | * | * | trans | -79.5 | 110.8 | 175.2 | -112.6 | -37.9 | 0 | 0 | 0 | 111.3 | S238 E242 | S238-D240 VanDerWaalsContact C-N 3.32Å; S238-D240 PolarHBondContact O-N 2.87Å; D240-E242 PolarHBondContact O-N 3.04Å | ||
| 241 | K | 27.1 | Very low | 26.5 | Very low | 179 Ų | 179 | 147.8 Ų | 147.8 | 78% | 0.778 | 79% | 0.794 | S | S | * | * | trans | 13.8 | 98.1 | 141.6 | -61.8 | 167.6 | -179.1 | 167.8 | 0 | 116.9 | A239 | A239-K241 PolarHBondContact O-N 2.74Š| ||
| 242 | E | 26.1 | Very low | 26.6 | Very low | 182 Ų | 182 | 147.5 Ų | 147.5 | 85% | 0.85 | 79% | 0.793 | S | S | * | * | trans | -103.3 | 89.3 | 144.1 | -73 | -150.8 | 126.3 | 0 | 0 | 110.1 | D240 | D240-E242 PolarHBondContact O-N 3.04Š| ||
| 243 | V | 23.1 | Very low | 26.9 | Very low | 134 Ų | 134 | 149.1 Ų | 149.1 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | trans | -95.4 | 98 | 162.9 | 177 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 244 | K | 27.3 | Very low | 27.2 | Very low | 177 Ų | 177 | 145.4 Ų | 145.4 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | trans | -136.2 | 112.5 | 169.5 | -91.6 | -178.3 | -178.6 | 165.5 | 0 | 112.9 | ||||
| 245 | N | 26.4 | Very low | 27.5 | Very low | 136 Ų | 136 | 146 Ų | 146 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | 57.9 | 111.9 | 142.8 | -66.8 | 1 | 0 | 0 | 0 | 120.6 | ||||
| 246 | M | 22.6 | Very low | 27.9 | Very low | 143 Ų | 143 | 149.2 Ų | 149.2 | 70% | 0.704 | 79% | 0.794 | S | S | * | * | 57.7 | 113.4 | 123.9 | -59.4 | -173 | 71.3 | 0 | 0 | 118.1 | |||||
| 247 | H | 29.1 | Very low | 28.4 | Very low | 199 Ų | 199 | 145.8 Ų | 145.8 | 92% | 0.921 | 78% | 0.781 | S | S | * | * | -142.8 | 105.5 | 116.8 | -89.3 | 91.2 | 0 | 0 | 0 | 108.8 | |||||
| 248 | S | 27 | Very low | 28.8 | Very low | 111 Ų | 111 | 142.8 Ų | 142.8 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | -86.5 | 110.9 | 168.2 | 53.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 249 | A | 31.7 | Very low | 29.6 | Very low | 83 Ų | 83 | 142.2 Ų | 142.2 | 69% | 0.686 | 77% | 0.765 | S | S | * | * | trans | -134.2 | 105.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 250 | T | 28.9 | Very low | 30.5 | Very low | 140 Ų | 140 | 140.8 Ų | 140.8 | 86% | 0.859 | 75% | 0.746 | S | S | * | * | trans | 42.5 | 104.5 | 148 | 50.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 251 | C | 25.9 | Very low | 31.3 | Very low | 119 Ų | 119 | 140.1 Ų | 140.1 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | trans | -57.8 | 176.8 | 148.8 | -164.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 252 | E | 27.8 | Very low | 32.4 | Very low | 168 Ų | 168 | 134.7 Ų | 134.7 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | trans | 81.1 | 67.2 | 169.8 | -55.5 | 178.1 | -165.3 | 0 | 0 | 117.5 | ||||
| 253 | Q | 32.4 | Very low | 33.7 | Very low | 196 Ų | 196 | 128 Ų | 128 | 92% | 0.916 | 70% | 0.7 | S | S | * | * | trans | -164.9 | 59.7 | 148.4 | -115.6 | 164.2 | 75.8 | 0 | 0 | 113.3 | ||||
| 254 | S | 32.8 | Very low | 35.4 | Very low | 87 Ų | 87 | 125 Ų | 125 | 61% | 0.608 | 68% | 0.682 | S | S | * | * | trans | -141.5 | -5.9 | 179.6 | 55.5 | 0 | 0 | 0 | 0 | 117.2 | Q256 H257 | S254-Q256 VanDerWaalsContact C-N 3.26Å; S254-Q256 PolarHBondContact O-N 3.36Å; S254-H257 PolarHBondContact O-N 2.95Å | ||
| 255 | E | 31.8 | Very low | 37.3 | Very low | 176 Ų | 176 | 120.4 Ų | 120.4 | 82% | 0.822 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -71.4 | -14 | 177.9 | -70.4 | -164.6 | 144.7 | 0 | 0 | 114.5 | ||
| 256 | Q | 35.7 | Very low | 39.3 | Very low | 170 Ų | 170 | 119.8 Ų | 119.8 | 79% | 0.794 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -87.1 | -7.8 | 178.6 | -71.7 | -170.8 | -10.7 | 0 | 0 | 115.2 | S254 T260 | S254-Q256 VanDerWaalsContact C-N 3.26Å; S254-Q256 PolarHBondContact O-N 3.36Å; Q256-T260 PolarHBondContact O-OG1 2.95Å |
| 257 | H | 37.1 | Very low | 41.8 | Very low | 137 Ų | 137 | 121.7 Ų | 121.7 | 63% | 0.634 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -92.9 | -20.6 | 178.1 | -84.3 | -74.2 | 0 | 0 | 0 | 114.7 | S254 T260 L261 | S254-H257 PolarHBondContact O-N 2.95Å; H257-T260 PolarHBondContact O-N 2.87Å; H257-L261 PolarHBondContact O-N 2.93Å |
| 258 | I | 37.1 | Very low | 44 | Very low | 130 Ų | 130 | 121.3 Ų | 121.3 | 67% | 0.667 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -70.7 | -38.7 | 179.9 | -60.9 | 178.9 | 0 | 0 | 0 | 111 | T260 L261 S262 | I258-T260 VanDerWaalsContact C-N 3.28Å; I258-T260 PolarHBondContact O-N 2.98Å; I258-L261 PolarHBondContact O-N 3.31Å; I258-S262 PolarHBondContact O-N 3.23Å |
| 259 | S | 41.1 | Very low | 46.3 | Very low | 89 Ų | 89 | 121.2 Ų | 121.2 | 62% | 0.622 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -59.8 | -37.1 | 175.7 | -44.8 | 0 | 0 | 0 | 0 | 112.7 | ||
| 260 | T | 43.6 | Very low | 48.7 | Very low | 75 Ų | 75 | 122.7 Ų | 122.7 | 46% | 0.46 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -74.4 | -41.6 | -178.3 | -41.2 | 0 | 0 | 0 | 0 | 111.5 | Q256 H257 I258 S263 T264 | Q256-T260 PolarHBondContact O-OG1 2.95Å; H257-T260 PolarHBondContact O-N 2.87Å; I258-T260 VanDerWaalsContact C-N 3.28Å; I258-T260 PolarHBondContact O-N 2.98Å; T260-S263 PolarHBondContact O-N 3.2Å; T260-S263 PolarHBondContact O-OG 2.97Å; T260-T264 PolarHBondContact O-N 2.89Å; T260-T264 PolarHBondContact O-OG1 3.35Å |
| 261 | L | 43.2 | Very low | 51.3 | Low | 111 Ų | 111 | 120.3 Ų | 120.3 | 58% | 0.581 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67.8 | -35 | -178.3 | -80.7 | 165.9 | 0 | 0 | 0 | 113.6 | H257 I258 T264 T265 | H257-L261 PolarHBondContact O-N 2.93Å; I258-L261 PolarHBondContact O-N 3.31Å; L261-T264 WeakPolarHBondContact CA-OG1 3.36Å; L261-T264 PolarHBondContact O-N 3.08Å; L261-T264 PolarHBondContact O-OG1 3.21Å; L261-T265 PolarHBondContact O-N 3.42Å; L261-T265 VanDerWaalsContact O-N 3.08Å; L261-T265 PolarHBondContact O-OG1 2.95Å |
| 262 | S | 50.4 | Low | 54.1 | Low | 65 Ų | 65 | 119.7 Ų | 119.7 | 46% | 0.455 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -56.5 | -51.5 | 171.4 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | I258 T264 T265 E266 | I258-S262 PolarHBondContact O-N 3.23Å; S262-T264 VanDerWaalsContact C-N 3.33Å; S262-T264 PolarHBondContact O-N 3.04Å; S262-T265 PolarHBondContact O-N 2.93Å; S262-E266 PolarHBondContact O-N 3.45Å |
| 263 | S | 52.4 | Low | 56.7 | Low | 43 Ų | 43 | 117.1 Ų | 117.1 | 30% | 0.301 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.3 | -34.2 | -180 | 79.6 | 0 | 0 | 0 | 0 | 114 | T260 R267 | T260-S263 PolarHBondContact O-N 3.2Å; T260-S263 PolarHBondContact O-OG 2.97Å; S263-R267 WeakPolarHBondContact O-CB 3.48Å; S263-R267 WeakPolarHBondContact O-CG 3.44Å; S263-R267 PolarHBondContact O-N 3.31Å; S263-R267 VanDerWaalsContact O-N 3.16Å |
| 264 | T | 59.1 | Low | 59.2 | Low | 69 Ų | 69 | 111.4 Ų | 111.4 | 42% | 0.423 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -73.1 | -29.3 | 176.1 | 49 | 0 | 0 | 0 | 0 | 112.8 | T260 L261 S262 R268 | T260-T264 PolarHBondContact O-N 2.89Å; T260-T264 PolarHBondContact O-OG1 3.35Å; L261-T264 WeakPolarHBondContact CA-OG1 3.36Å; L261-T264 PolarHBondContact O-N 3.08Å; L261-T264 PolarHBondContact O-OG1 3.21Å; S262-T264 VanDerWaalsContact C-N 3.33Å; S262-T264 PolarHBondContact O-N 3.04Å; T264-R268 WeakPolarHBondContact O-CB 3.29Å; T264-R268 PolarHBondContact O-N 2.92Å; T264-R268 VanDerWaalsContact O-N 3.14Å |
| 265 | T | 66.7 | Low | 61.8 | Low | 82 Ų | 82 | 112.5 Ų | 112.5 | 50% | 0.503 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -76.7 | -43.1 | 179.9 | -50.4 | 0 | 0 | 0 | 0 | 110.7 | L261 S262 R267 R268 L269 | L261-T265 PolarHBondContact O-N 3.42Å; L261-T265 VanDerWaalsContact O-N 3.08Å; L261-T265 PolarHBondContact O-OG1 2.95Å; S262-T265 PolarHBondContact O-N 2.93Å; T265-R267 PolarHBondContact O-N 2.95Å; T265-R268 WeakPolarHBondContact O-CB 3.37Å; T265-R268 PolarHBondContact O-N 3.09Å; T265-R268 VanDerWaalsContact O-N 3.11Å; T265-L269 PolarHBondContact O-N 3.35Å |
| 266 | E | 69.4 | Low | 64.4 | Low | 122 Ų | 122 | 109.2 Ų | 109.2 | 57% | 0.57 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -60.6 | -43.7 | 172.6 | -70.3 | -178 | 156.8 | 0 | 0 | 112.1 | S262 R268 L269 L270 | S262-E266 PolarHBondContact O-N 3.45Å; E266-R268 VanDerWaalsContact C-N 3.26Å; E266-R268 PolarHBondContact O-N 3.29Å; E266-L269 PolarHBondContact O-N 3.41Å; E266-L270 PolarHBondContact O-N 3.38Å |
| 267 | R | 73.8 | Confident | 66.8 | Low | 183 Ų | 183 | 105.5 Ų | 105.5 | 69% | 0.691 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.2 | -33.5 | 173.1 | -76.6 | 179.8 | -174.9 | 173 | 4.6 | 113 | S263 T265 N271 | S263-R267 WeakPolarHBondContact O-CB 3.48Å; S263-R267 WeakPolarHBondContact O-CG 3.44Å; S263-R267 PolarHBondContact O-N 3.31Å; S263-R267 VanDerWaalsContact O-N 3.16Å; T265-R267 PolarHBondContact O-N 2.95Å; R267-N271 VanDerWaalsContact O-CB 3.29Å; R267-N271 WeakPolarHBondContact O-CB 3.27Å; R267-N271 PolarHBondContact O-N 3.04Å |
| 268 | R | 75.6 | Confident | 69 | Low | 192 Ų | 192 | 102.7 Ų | 102.7 | 73% | 0.725 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -69.9 | -41.5 | 177.2 | -127.2 | 173.5 | 170.1 | 160 | -4.8 | 111.4 | T264 T265 E266 N271 L272 | T264-R268 WeakPolarHBondContact O-CB 3.29Å; T264-R268 PolarHBondContact O-N 2.92Å; T264-R268 VanDerWaalsContact O-N 3.14Å; T265-R268 WeakPolarHBondContact O-CB 3.37Å; T265-R268 PolarHBondContact O-N 3.09Å; T265-R268 VanDerWaalsContact O-N 3.11Å; E266-R268 VanDerWaalsContact C-N 3.26Å; E266-R268 PolarHBondContact O-N 3.29Å; R268-N271 PolarHBondContact O-N 3.06Å; R268-L272 WeakPolarHBondContact O-CG 3.45Å; R268-L272 PolarHBondContact O-N 2.92Å |
| 269 | L | 75.7 | Confident | 71.3 | Confident | 108 Ų | 108 | 101.5 Ų | 101.5 | 57% | 0.565 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.9 | -51.6 | 173.4 | -89.3 | 157.4 | 0 | 0 | 0 | 111.7 | T265 E266 N271 L272 E273 | T265-L269 PolarHBondContact O-N 3.35Å; E266-L269 PolarHBondContact O-N 3.41Å; L269-N271 VanDerWaalsContact C-N 3.29Å; L269-N271 PolarHBondContact O-N 2.91Å; L269-L272 PolarHBondContact O-N 3.25Å; L269-L272 VanDerWaalsContact O-N 3.09Å; L269-E273 PolarHBondContact O-N 3.47Å |
| 270 | L | 82.2 | Confident | 73.4 | Confident | 114 Ų | 114 | 101.2 Ų | 101.2 | 60% | 0.597 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -58.3 | -37.2 | 176.7 | -82.6 | 161.4 | 0 | 0 | 0 | 113.1 | E266 S274 | E266-L270 PolarHBondContact O-N 3.38Å; L270-S274 WeakPolarHBondContact O-CB 3.48Å; L270-S274 PolarHBondContact O-N 3.01Å |
| 271 | N | 83.6 | Confident | 75.3 | Confident | 91 Ų | 91 | 101.6 Ų | 101.6 | 49% | 0.487 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.3 | -40.4 | 175.7 | -169.6 | 19.2 | 0 | 0 | 0 | 111.9 | R267 R268 L269 S274 Q275 | R267-N271 VanDerWaalsContact O-CB 3.29Å; R267-N271 WeakPolarHBondContact O-CB 3.27Å; R267-N271 PolarHBondContact O-N 3.04Å; R268-N271 PolarHBondContact O-N 3.06Å; L269-N271 VanDerWaalsContact C-N 3.29Å; L269-N271 PolarHBondContact O-N 2.91Å; N271-S274 PolarHBondContact O-N 2.91Å; N271-Q275 WeakPolarHBondContact O-CG 3.28Å; N271-Q275 PolarHBondContact O-N 3.42Å |
| 272 | L | 84 | Confident | 77.1 | Confident | 105 Ų | 105 | 98.8 Ų | 98.8 | 55% | 0.55 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.3 | -40.8 | 175.9 | -72.7 | 168 | 0 | 0 | 0 | 112.2 | R268 L269 S274 Q275 L276 | R268-L272 WeakPolarHBondContact O-CG 3.45Å; R268-L272 PolarHBondContact O-N 2.92Å; L269-L272 PolarHBondContact O-N 3.25Å; L269-L272 VanDerWaalsContact O-N 3.09Å; L272-S274 VanDerWaalsContact C-N 3.35Å; L272-Q275 PolarHBondContact O-N 3.4Å; L272-L276 WeakPolarHBondContact O-CB 3.48Å; L272-L276 PolarHBondContact O-N 3.03Å |
| 273 | E | 83.8 | Confident | 78.5 | Confident | 114 Ų | 114 | 100.3 Ų | 100.3 | 53% | 0.533 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.2 | -42.5 | 171.3 | -74.6 | -171.7 | 131.5 | 0 | 0 | 111.8 | L269 Q275 L276 N277 | L269-E273 PolarHBondContact O-N 3.47Å; E273-Q275 VanDerWaalsContact C-N 3.34Å; E273-Q275 PolarHBondContact O-N 2.99Å; E273-L276 PolarHBondContact O-N 3.31Å; E273-N277 WeakPolarHBondContact O-CB 3.33Å; E273-N277 PolarHBondContact O-N 2.86Å; E273-N277 PolarHBondContact O-ND2 3.48Å |
| 274 | S | 84.2 | Confident | 79.8 | Confident | 76 Ų | 76 | 102.8 Ų | 102.8 | 53% | 0.531 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.6 | -39.6 | 176.3 | -171.7 | 0 | 0 | 0 | 0 | 112.4 | L270 N271 L272 S278 | L270-S274 WeakPolarHBondContact O-CB 3.48Å; L270-S274 PolarHBondContact O-N 3.01Å; N271-S274 PolarHBondContact O-N 2.91Å; L272-S274 VanDerWaalsContact C-N 3.35Å; S274-S278 VanDerWaalsContact O-CB 3.3Å; S274-S278 WeakPolarHBondContact O-CB 3.42Å; S274-S278 PolarHBondContact O-N 3.38Å |
| 275 | Q | 87.5 | Confident | 80.6 | Confident | 111 Ų | 111 | 104.7 Ų | 104.7 | 52% | 0.519 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.2 | -42 | 176.2 | -73.6 | 177.9 | 6.7 | 0 | 0 | 112 | N271 L272 E273 S278 L279 | N271-Q275 WeakPolarHBondContact O-CG 3.28Å; N271-Q275 PolarHBondContact O-N 3.42Å; L272-Q275 PolarHBondContact O-N 3.4Å; E273-Q275 VanDerWaalsContact C-N 3.34Å; E273-Q275 PolarHBondContact O-N 2.99Å; Q275-S278 WeakPolarHBondContact O-CB 3.47Å; Q275-S278 PolarHBondContact O-N 3.3Å; Q275-L279 PolarHBondContact O-N 3.11Å |
| 276 | L | 86.3 | Confident | 80.7 | Confident | 106 Ų | 106 | 107 Ų | 107 | 56% | 0.555 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63 | -47.7 | 177.6 | -169.5 | 72.9 | 0 | 0 | 0 | 111.2 | L272 E273 S278 L279 I280 | L272-L276 WeakPolarHBondContact O-CB 3.48Å; L272-L276 PolarHBondContact O-N 3.03Å; E273-L276 PolarHBondContact O-N 3.31Å; L276-S278 PolarHBondContact O-N 2.89Å; L276-L279 PolarHBondContact O-N 3.34Å; L276-I280 HydrophobicContact CG-CD1 4.15Å; L276-I280 WeakPolarHBondContact O-CG1 3.45Å; L276-I280 PolarHBondContact O-N 3.41Å |
| 277 | N | 85.6 | Confident | 80.7 | Confident | 93 Ų | 93 | 105.3 Ų | 105.3 | 50% | 0.497 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62 | -43.5 | 177.6 | -73.8 | -31.9 | 0 | 0 | 0 | 111.7 | E273 L279 I280 T281 | E273-N277 WeakPolarHBondContact O-CB 3.33Å; E273-N277 PolarHBondContact O-N 2.86Å; E273-N277 PolarHBondContact O-ND2 3.48Å; N277-L279 VanDerWaalsContact C-N 3.31Å; N277-L279 PolarHBondContact O-N 3.16Å; N277-I280 PolarHBondContact O-N 2.93Å; N277-T281 PolarHBondContact O-N 2.92Å; N277-T281 PolarHBondContact O-OG1 3.24Å; N277-T281 VanDerWaalsContact O-OG1 3.06Å |
| 278 | S | 83.6 | Confident | 79.9 | Confident | 78 Ų | 78 | 104.2 Ų | 104.2 | 55% | 0.545 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -54.8 | -44.3 | 173.1 | 174.3 | 0 | 0 | 0 | 0 | 112.7 | S274 Q275 L276 T281 S282 | S274-S278 VanDerWaalsContact O-CB 3.3Å; S274-S278 WeakPolarHBondContact O-CB 3.42Å; S274-S278 PolarHBondContact O-N 3.38Å; Q275-S278 WeakPolarHBondContact O-CB 3.47Å; Q275-S278 PolarHBondContact O-N 3.3Å; L276-S278 PolarHBondContact O-N 2.89Å; S278-T281 PolarHBondContact O-N 3.48Å; S278-S282 WeakPolarHBondContact O-CB 3.47Å; S278-S282 PolarHBondContact O-N 3.14Å |
| 279 | L | 84.7 | Confident | 78.9 | Confident | 104 Ų | 104 | 101 Ų | 101 | 55% | 0.545 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.5 | -37.9 | -179.7 | -167.6 | 67.9 | 0 | 0 | 0 | 112.5 | Q275 L276 N277 S282 H283 | Q275-L279 PolarHBondContact O-N 3.11Å; L276-L279 PolarHBondContact O-N 3.34Å; N277-L279 VanDerWaalsContact C-N 3.31Å; N277-L279 PolarHBondContact O-N 3.16Å; L279-S282 PolarHBondContact O-N 3.02Å; L279-H283 PolarHBondContact O-N 3.03Å; L279-H283 PolarHBondContact O-ND1 3.29Å |
| 280 | I | 86.7 | Confident | 77.6 | Confident | 83 Ų | 83 | 100.3 Ų | 100.3 | 43% | 0.426 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.8 | -49.2 | 174.6 | -67.7 | 165.6 | 0 | 0 | 0 | 110.2 | L276 N277 S282 H283 L284 | L276-I280 HydrophobicContact CG-CD1 4.15Å; L276-I280 WeakPolarHBondContact O-CG1 3.45Å; L276-I280 PolarHBondContact O-N 3.41Å; N277-I280 PolarHBondContact O-N 2.93Å; I280-S282 VanDerWaalsContact C-N 3.31Å; I280-S282 PolarHBondContact O-N 2.97Å; I280-H283 PolarHBondContact O-N 3.5Å; I280-H283 VanDerWaalsContact O-N 3.14Å; I280-L284 HydrophobicContact CG2-CD1 3.92Å; I280-L284 HydrophobicContact CG2-CG 4.44Å; I280-L284 WeakPolarHBondContact O-CG 3.35Å; I280-L284 PolarHBondContact O-N 3.02Å |
| 281 | T | 81.8 | Confident | 75.8 | Confident | 84 Ų | 84 | 101.9 Ų | 101.9 | 52% | 0.515 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.5 | -40.1 | 176.8 | -52.5 | 0 | 0 | 0 | 0 | 111.6 | N277 S278 H283 L284 M285 | N277-T281 PolarHBondContact O-N 2.92Å; N277-T281 PolarHBondContact O-OG1 3.24Å; N277-T281 VanDerWaalsContact O-OG1 3.06Å; S278-T281 PolarHBondContact O-N 3.48Å; T281-H283 PolarHBondContact O-N 3.49Å; T281-L284 PolarHBondContact O-N 3.4Å; T281-M285 HydrophobicContact CG2-CG 4.44Å; T281-M285 WeakPolarHBondContact O-CB 3.27Å; T281-M285 WeakPolarHBondContact O-CG 3.33Å; T281-M285 PolarHBondContact O-N 3.47Å |
| 282 | S | 81.3 | Confident | 73.8 | Confident | 51 Ų | 51 | 105 Ų | 105 | 36% | 0.357 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.1 | -39.6 | 174.9 | -174.8 | 0 | 0 | 0 | 0 | 112.7 | S278 L279 I280 R286 | S278-S282 WeakPolarHBondContact O-CB 3.47Å; S278-S282 PolarHBondContact O-N 3.14Å; L279-S282 PolarHBondContact O-N 3.02Å; I280-S282 VanDerWaalsContact C-N 3.31Å; I280-S282 PolarHBondContact O-N 2.97Å; S282-R286 WeakPolarHBondContact O-CB 3.28Å; S282-R286 PolarHBondContact O-N 3.46Å; S282-R286 VanDerWaalsContact O-N 3.17Å; S282-R286 PolarHBondContact OG-NH2 2.75Å |
| 283 | H | 81.4 | Confident | 71.7 | Confident | 97 Ų | 97 | 106.3 Ų | 106.3 | 45% | 0.449 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68 | -46.5 | 175.5 | -93.1 | 77.1 | 0 | 0 | 0 | 112.2 | L279 I280 T281 M285 R286 I287 | L279-H283 PolarHBondContact O-N 3.03Å; L279-H283 PolarHBondContact O-ND1 3.29Å; I280-H283 PolarHBondContact O-N 3.5Å; I280-H283 VanDerWaalsContact O-N 3.14Å; T281-H283 PolarHBondContact O-N 3.49Å; H283-M285 PolarHBondContact O-N 3.27Å; H283-R286 WeakPolarHBondContact O-CB 3.5Å; H283-R286 PolarHBondContact O-N 3.1Å; H283-R286 VanDerWaalsContact O-N 3.12Å; H283-I287 WeakPolarHBondContact O-CG1 3.28Å; H283-I287 PolarHBondContact O-N 3.4Å |
| 284 | L | 79.5 | Confident | 69.4 | Low | 96 Ų | 96 | 109.4 Ų | 109.4 | 50% | 0.503 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.2 | -42.9 | 178.7 | -69.4 | 171.9 | 0 | 0 | 0 | 111.9 | I280 T281 R286 I287 Y288 | I280-L284 HydrophobicContact CG2-CD1 3.92Å; I280-L284 HydrophobicContact CG2-CG 4.44Å; I280-L284 WeakPolarHBondContact O-CG 3.35Å; I280-L284 PolarHBondContact O-N 3.02Å; T281-L284 PolarHBondContact O-N 3.4Å; L284-R286 VanDerWaalsContact C-N 3.29Å; L284-R286 PolarHBondContact O-N 2.86Å; L284-I287 PolarHBondContact O-N 3.1Å; L284-Y288 PolarHBondContact O-N 2.93Å |
| 285 | M | 75.7 | Confident | 67 | Low | 109 Ų | 109 | 110.3 Ų | 110.3 | 54% | 0.537 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.2 | -35.8 | 174.4 | -75.8 | -68 | -75.3 | 0 | 0 | 112.6 | T281 H283 Q289 | T281-M285 HydrophobicContact CG2-CG 4.44Å; T281-M285 WeakPolarHBondContact O-CB 3.27Å; T281-M285 WeakPolarHBondContact O-CG 3.33Å; T281-M285 PolarHBondContact O-N 3.47Å; H283-M285 PolarHBondContact O-N 3.27Å; M285-Q289 WeakPolarHBondContact O-CB 3.21Å; M285-Q289 WeakPolarHBondContact O-CG 3.46Å; M285-Q289 PolarHBondContact O-N 3.05Å |
| 286 | R | 69 | Low | 64.3 | Low | 131 Ų | 131 | 114.5 Ų | 114.5 | 49% | 0.494 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -69.1 | -40.1 | 177.7 | -147.2 | 177.7 | -56.5 | 158.9 | 6.1 | 111.7 | S282 H283 L284 Q289 T290 | S282-R286 WeakPolarHBondContact O-CB 3.28Å; S282-R286 PolarHBondContact O-N 3.46Å; S282-R286 VanDerWaalsContact O-N 3.17Å; S282-R286 PolarHBondContact OG-NH2 2.75Å; H283-R286 WeakPolarHBondContact O-CB 3.5Å; H283-R286 PolarHBondContact O-N 3.1Å; H283-R286 VanDerWaalsContact O-N 3.12Å; L284-R286 VanDerWaalsContact C-N 3.29Å; L284-R286 PolarHBondContact O-N 2.86Å; R286-Q289 PolarHBondContact O-N 2.97Å; R286-T290 PolarHBondContact O-N 3.02Å; R286-T290 PolarHBondContact O-OG1 2.9Å |
| 287 | I | 69.4 | Low | 61.6 | Low | 85 Ų | 85 | 115 Ų | 115 | 44% | 0.436 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -62.9 | -49.2 | 174.5 | -66.2 | 163.9 | 0 | 0 | 0 | 110.2 | H283 L284 Q289 T290 E291 | H283-I287 WeakPolarHBondContact O-CG1 3.28Å; H283-I287 PolarHBondContact O-N 3.4Å; L284-I287 PolarHBondContact O-N 3.1Å; I287-Q289 VanDerWaalsContact C-N 3.31Å; I287-Q289 PolarHBondContact O-N 2.97Å; I287-T290 WeakPolarHBondContact CA-OG1 3.42Å; I287-T290 PolarHBondContact O-N 3.25Å; I287-T290 VanDerWaalsContact O-N 3.09Å; I287-T290 PolarHBondContact O-OG1 3.29Å; I287-E291 PolarHBondContact O-N 2.96Å |
| 288 | Y | 57.2 | Low | 59 | Low | 161 Ų | 161 | 119.5 Ų | 119.5 | 63% | 0.631 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -59.9 | -37.1 | 176.1 | -98.9 | -87.8 | 0 | 0 | 0 | 113.3 | L284 | L284-Y288 PolarHBondContact O-N 2.93Å |
| 289 | Q | 52.8 | Low | 56.3 | Low | 124 Ų | 124 | 120.5 Ų | 120.5 | 58% | 0.579 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -70.1 | -31.7 | 175.3 | -77 | -179.9 | -1.3 | 0 | 0 | 113 | M285 R286 I287 | M285-Q289 WeakPolarHBondContact O-CB 3.21Å; M285-Q289 WeakPolarHBondContact O-CG 3.46Å; M285-Q289 PolarHBondContact O-N 3.05Å; R286-Q289 PolarHBondContact O-N 2.97Å; I287-Q289 VanDerWaalsContact C-N 3.31Å; I287-Q289 PolarHBondContact O-N 2.97Å |
| 290 | T | 50.2 | Low | 53.7 | Low | 94 Ų | 94 | 122.7 Ų | 122.7 | 58% | 0.577 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -72.3 | -31.5 | 175.7 | 43.1 | 0 | 0 | 0 | 0 | 113.7 | R286 I287 H292 | R286-T290 PolarHBondContact O-N 3.02Å; R286-T290 PolarHBondContact O-OG1 2.9Å; I287-T290 WeakPolarHBondContact CA-OG1 3.42Å; I287-T290 PolarHBondContact O-N 3.25Å; I287-T290 VanDerWaalsContact O-N 3.09Å; I287-T290 PolarHBondContact O-OG1 3.29Å; T290-H292 PolarHBondContact O-N 3.44Å |
| 291 | E | 43.5 | Very low | 50.9 | Low | 147 Ų | 147 | 124.9 Ų | 124.9 | 69% | 0.687 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -74.8 | -23.2 | -179.5 | -69.5 | -173.4 | 162.6 | 0 | 0 | 113.4 | I287 | I287-E291 PolarHBondContact O-N 2.96Å |
| 292 | H | 41.6 | Very low | 48.5 | Very low | 155 Ų | 155 | 129.2 Ų | 129.2 | 72% | 0.718 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | 3 | -173.1 | -117.2 | -52.4 | 0 | 0 | 0 | 116.5 | T290 | T290-H292 PolarHBondContact O-N 3.44Š|
| 293 | I | 39.5 | Very low | 45.9 | Very low | 133 Ų | 133 | 133.8 Ų | 133.8 | 68% | 0.682 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | -13.4 | -174.6 | -67 | 175.1 | 0 | 0 | 0 | 113.5 | ||
| 294 | H | 36.7 | Very low | 43.3 | Very low | 180 Ų | 180 | 134.8 Ų | 134.8 | 83% | 0.833 | 70% | 0.697 | S | S | * | * | trans | -103.5 | 63.9 | -177.3 | -79.6 | -66.5 | 0 | 0 | 0 | 115 | ||||
| 295 | S | 32.7 | Very low | 40.8 | Very low | 95 Ų | 95 | 135 Ų | 135 | 66% | 0.664 | 71% | 0.706 | S | S | * | * | trans | -155.7 | 74.6 | 165.6 | 55.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 296 | K | 32 | Very low | 38.6 | Very low | 198 Ų | 198 | 136.5 Ų | 136.5 | 86% | 0.861 | 72% | 0.721 | S | S | * | * | trans | -134.1 | 121.3 | 152.5 | -87.7 | -167.4 | 175.7 | 179.5 | 0 | 111.7 | ||||
| 297 | P | 29.3 | Very low | 36.7 | Very low | 118 Ų | 118 | 138.7 Ų | 138.7 | 77% | 0.766 | 74% | 0.737 | S | S | * | * | trans | -86.4 | 131 | 178.1 | 33.6 | -31.6 | 0 | 0 | 0 | 110.8 | ||||
| 298 | H | 31.4 | Very low | 34.6 | Very low | 187 Ų | 187 | 142.7 Ų | 142.7 | 87% | 0.866 | 75% | 0.754 | S | S | * | * | trans | -129.1 | 94 | 159.8 | -90.1 | -64 | 0 | 0 | 0 | 110.1 | ||||
| 299 | S | 26.6 | Very low | 33.3 | Very low | 99 Ų | 99 | 142.8 Ų | 142.8 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | trans | -74.1 | 127 | 158.9 | 51.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 300 | N | 30.5 | Very low | 32.1 | Very low | 149 Ų | 149 | 143.7 Ų | 143.7 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | trans | 176.2 | 97.2 | 145.6 | -88.3 | -15.4 | 0 | 0 | 0 | 106 | ||||
| 301 | V | 27 | Very low | 31.1 | Very low | 129 Ų | 129 | 146.9 Ų | 146.9 | 78% | 0.782 | 79% | 0.787 | S | S | * | * | 57.8 | 97.6 | 86.1 | -178.4 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 302 | L | 30.9 | Very low | 30.4 | Very low | 175 Ų | 175 | 149.4 Ų | 149.4 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | trans | -149 | 128.6 | 140.9 | -107.1 | 165.1 | 0 | 0 | 0 | 108.2 | ||||
| 303 | N | 27.1 | Very low | 29.9 | Very low | 148 Ų | 148 | 147.3 Ų | 147.3 | 79% | 0.791 | 79% | 0.794 | S | S | * | * | trans | -100.4 | 170.5 | -174.4 | -117.3 | -18.4 | 0 | 0 | 0 | 110.4 | ||||
| 304 | S | 26.8 | Very low | 29.2 | Very low | 118 Ų | 118 | 147.2 Ų | 147.2 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | 72.4 | 148 | 175 | 81.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 305 | S | 27.9 | Very low | 28.8 | Very low | 99 Ų | 99 | 146.1 Ų | 146.1 | 69% | 0.692 | 80% | 0.804 | S | S | * | * | cis | -142.9 | 130.8 | 3.8 | 52.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 306 | V | 28.2 | Very low | 28.4 | Very low | 141 Ų | 141 | 147.7 Ų | 147.7 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | trans | -86.6 | 124.2 | 166.9 | 176.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 307 | Q | 28.8 | Very low | 28.4 | Very low | 178 Ų | 178 | 145.2 Ų | 145.2 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | -130.6 | 111.3 | 166 | -107.9 | 178.4 | -22.1 | 0 | 0 | 108.7 | ||||
| 308 | E | 26 | Very low | 28.3 | Very low | 169 Ų | 169 | 147 Ų | 147 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | trans | -68.4 | 141.2 | 167.5 | -60.6 | 174.6 | 125 | 0 | 0 | 109.3 | ||||
| 309 | N | 30.5 | Very low | 28.2 | Very low | 162 Ų | 162 | 142.9 Ų | 142.9 | 87% | 0.866 | 81% | 0.812 | S | S | * | * | trans | -148.8 | 121.3 | 152.9 | -105.1 | -34.6 | 0 | 0 | 0 | 110.1 | ||||
| 310 | N | 26.7 | Very low | 28.2 | Very low | 144 Ų | 144 | 146.8 Ų | 146.8 | 77% | 0.77 | 82% | 0.817 | S | S | * | * | trans | -79.6 | 137.3 | 177.5 | -71.6 | -76.6 | 0 | 0 | 0 | 110.4 | ||||
| 311 | L | 29.5 | Very low | 28.1 | Very low | 160 Ų | 160 | 146.5 Ų | 146.5 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | trans | -147 | 107.7 | 149.7 | -103.8 | 121.9 | 0 | 0 | 0 | 110.6 | T313 | L311-T313 HydrophobicContact CD2-CG2 4.42Š| ||
| 312 | K | 28.1 | Very low | 28.2 | Very low | 201 Ų | 201 | 149 Ų | 149 | 87% | 0.874 | 82% | 0.818 | S | S | * | * | trans | -95.6 | 129.6 | 160.3 | -74.2 | 178 | 175.6 | 176.9 | 0 | 107.6 | ||||
| 313 | T | 31.4 | Very low | 28.1 | Very low | 110 Ų | 110 | 147.2 Ų | 147.2 | 68% | 0.675 | 82% | 0.815 | S | S | * | * | trans | -142.7 | 98.3 | 162.3 | 48 | 0 | 0 | 0 | 0 | 108.8 | L311 | L311-T313 HydrophobicContact CD2-CG2 4.42Š| ||
| 314 | C | 24.4 | Very low | 28.3 | Very low | 132 Ų | 132 | 148.2 Ų | 148.2 | 89% | 0.892 | 82% | 0.82 | S | S | * | * | trans | -117.7 | 98.7 | 163.2 | -70 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 315 | D | 29.6 | Very low | 28.3 | Very low | 157 Ų | 157 | 147.6 Ų | 147.6 | 84% | 0.84 | 82% | 0.816 | S | S | * | * | trans | -108.7 | 139.2 | 175.9 | -87 | -48.3 | 0 | 0 | 0 | 111.8 | ||||
| 316 | T | 24.9 | Very low | 28.4 | Very low | 128 Ų | 128 | 147.8 Ų | 147.8 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | trans | -87.6 | 138.4 | -176.2 | 49 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 317 | V | 31.6 | Very low | 28.5 | Very low | 146 Ų | 146 | 152.1 Ų | 152.1 | 89% | 0.885 | 82% | 0.818 | S | S | * | * | trans | -138.6 | 132.4 | 152.6 | -176.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 318 | N | 26.1 | Very low | 28.5 | Very low | 156 Ų | 156 | 149.8 Ų | 149.8 | 83% | 0.834 | 82% | 0.816 | S | S | * | * | trans | -67.5 | 145.3 | 174.2 | -85.3 | -43.4 | 0 | 0 | 0 | 113 | ||||
| 319 | A | 30.4 | Very low | 28.6 | Very low | 100 Ų | 100 | 148.8 Ų | 148.8 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | trans | -156 | 121.7 | 130.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 320 | K | 26.6 | Very low | 28.5 | Very low | 180 Ų | 180 | 148.6 Ų | 148.6 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | trans | -92.7 | 143.4 | 154.4 | -59.4 | 177.3 | 176.3 | 179.5 | 0 | 106.7 | ||||
| 321 | D | 28.5 | Very low | 28.7 | Very low | 143 Ų | 143 | 148 Ų | 148 | 77% | 0.765 | 82% | 0.817 | S | S | * | * | 166.8 | 159 | 101.9 | -91.1 | -38.6 | 0 | 0 | 0 | 112.5 | |||||
| 322 | E | 29.2 | Very low | 28.6 | Very low | 182 Ų | 182 | 148.7 Ų | 148.7 | 85% | 0.85 | 82% | 0.82 | S | S | * | * | trans | 64.6 | 107.3 | 158.8 | -71.5 | 178.2 | -173.3 | 0 | 0 | 121.6 | ||||
| 323 | T | 27.7 | Very low | 28.6 | Very low | 137 Ų | 137 | 148.5 Ų | 148.5 | 84% | 0.84 | 82% | 0.822 | S | S | * | * | trans | -45.6 | 135.2 | 155.3 | 48.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 324 | N | 31.7 | Very low | 28.6 | Very low | 170 Ų | 170 | 148.7 Ų | 148.7 | 91% | 0.909 | 83% | 0.828 | S | S | * | * | trans | -145.2 | 158.9 | 138.6 | -139.5 | -20.4 | 0 | 0 | 0 | 112 | ||||
| 325 | S | 26.6 | Very low | 29 | Very low | 104 Ų | 104 | 149.4 Ų | 149.4 | 73% | 0.727 | 83% | 0.828 | S | S | * | * | trans | -91.5 | 167.6 | -157.3 | -165.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 326 | S | 29.7 | Very low | 29 | Very low | 104 Ų | 104 | 149.7 Ų | 149.7 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | trans | 71.6 | 96.2 | 161.3 | 54.1 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 327 | R | 30.8 | Very low | 29.2 | Very low | 231 Ų | 231 | 149.6 Ų | 149.6 | 87% | 0.872 | 82% | 0.819 | S | S | * | * | 41.8 | 98.9 | 111.8 | -153.8 | 176.8 | -166.9 | 172.9 | 3.6 | 115.8 | |||||
| 328 | V | 28 | Very low | 29.2 | Very low | 129 Ų | 129 | 149.6 Ų | 149.6 | 78% | 0.782 | 81% | 0.814 | S | S | * | * | 52.5 | 92.9 | 85.7 | -175.5 | 0 | 0 | 0 | 0 | 113 | |||||
| 329 | N | 28 | Very low | 29.2 | Very low | 148 Ų | 148 | 148.9 Ų | 148.9 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | trans | -150.9 | 168.5 | 143.5 | -99.2 | -9.1 | 0 | 0 | 0 | 107.6 | ||||
| 330 | D | 29.2 | Very low | 29 | Very low | 158 Ų | 158 | 149.8 Ų | 149.8 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | trans | 74 | 77.2 | 171.3 | -49.2 | -19.4 | 0 | 0 | 0 | 116.4 | ||||
| 331 | T | 30.4 | Very low | 29.1 | Very low | 133 Ų | 133 | 149.8 Ų | 149.8 | 82% | 0.816 | 81% | 0.811 | S | S | * | * | trans | -111.9 | 149.4 | 146.4 | 19.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 332 | L | 28.2 | Very low | 29.1 | Very low | 174 Ų | 174 | 151.3 Ų | 151.3 | 91% | 0.911 | 81% | 0.813 | S | S | * | * | trans | 84.4 | 68.9 | 169.1 | -59.1 | 156.6 | 0 | 0 | 0 | 117.9 | ||||
| 333 | E | 26.9 | Very low | 29 | Very low | 196 Ų | 196 | 150.5 Ų | 150.5 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | trans | -102.3 | 159.1 | 132.8 | -82.4 | -167.7 | 144.9 | 0 | 0 | 110.2 | ||||
| 334 | S | 31.9 | Very low | 29.2 | Very low | 114 Ų | 114 | 149 Ų | 149 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | 67.1 | 84 | 166 | -178.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 335 | V | 34.2 | Very low | 29 | Very low | 147 Ų | 147 | 147.9 Ų | 147.9 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | -137.6 | 125.2 | 116.5 | -177.8 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 336 | H | 28.1 | Very low | 29 | Very low | 164 Ų | 164 | 150.1 Ų | 150.1 | 76% | 0.759 | 79% | 0.792 | S | S | * | * | trans | -128 | 152.7 | -178.4 | -166.7 | -62.5 | 0 | 0 | 0 | 108.8 | ||||
| 337 | N | 30 | Very low | 28.9 | Very low | 126 Ų | 126 | 152.8 Ų | 152.8 | 67% | 0.674 | 79% | 0.793 | S | S | * | * | trans | 82.5 | 124.5 | -172.3 | -48.6 | -24.1 | 0 | 0 | 0 | 112.6 | ||||
| 338 | D | 31.5 | Very low | 28.6 | Very low | 145 Ų | 145 | 147.6 Ų | 147.6 | 78% | 0.775 | 79% | 0.786 | S | S | * | * | -148 | 157.2 | 59.5 | -91.3 | -33.7 | 0 | 0 | 0 | 116.5 | |||||
| 339 | L | 25.5 | Very low | 28.7 | Very low | 142 Ų | 142 | 151.2 Ų | 151.2 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | trans | 34 | 107.6 | 154.7 | -79.5 | 60.2 | 0 | 0 | 0 | 118.9 | ||||
| 340 | C | 26 | Very low | 28.5 | Very low | 119 Ų | 119 | 150.8 Ų | 150.8 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | 44.6 | 110.6 | 76.8 | -69.8 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 341 | Q | 28.8 | Very low | 28.6 | Very low | 180 Ų | 180 | 146.4 Ų | 146.4 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | trans | -165.9 | 120 | 131.2 | -107.6 | 170.8 | 34 | 0 | 0 | 114.8 | ||||
| 342 | H | 28.4 | Very low | 28.3 | Very low | 174 Ų | 174 | 148.3 Ų | 148.3 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | trans | 39.8 | 117.4 | 151.5 | -65.5 | -57 | 0 | 0 | 0 | 124.5 | ||||
| 343 | I | 28.4 | Very low | 28.1 | Very low | 166 Ų | 166 | 145.9 Ų | 145.9 | 85% | 0.851 | 77% | 0.769 | S | S | * | * | trans | -126 | 134.7 | 138.3 | -63.4 | 175.1 | 0 | 0 | 0 | 107.9 | ||||
| 344 | P | 29.8 | Very low | 28 | Very low | 105 Ų | 105 | 143.8 Ų | 143.8 | 68% | 0.682 | 76% | 0.759 | S | S | * | * | trans | -105 | 133.9 | 172.4 | 35.2 | -28.1 | 0 | 0 | 0 | 114.6 | ||||
| 345 | E | 28 | Very low | 27.9 | Very low | 147 Ų | 147 | 145.2 Ų | 145.2 | 69% | 0.687 | 76% | 0.763 | S | S | * | * | trans | 60.2 | 128.8 | 137.3 | -57.2 | -155.7 | 142.9 | 0 | 0 | 124.6 | ||||
| 346 | K | 26.4 | Very low | 27.4 | Very low | 150 Ų | 150 | 146.5 Ų | 146.5 | 65% | 0.652 | 76% | 0.759 | S | S | * | * | trans | 67.6 | 149.7 | 136.1 | -67.8 | 166.6 | -165.2 | 153.8 | 0 | 118.3 | ||||
| 347 | E | 29.4 | Very low | 27.4 | Very low | 161 Ų | 161 | 145.2 Ų | 145.2 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | cis | -144.7 | 131.3 | 3.1 | -108.1 | 141.2 | -145.2 | 0 | 0 | 107.4 | ||||
| 348 | V | 24.3 | Very low | 27.1 | Very low | 121 Ų | 121 | 145.7 Ų | 145.7 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | 44.8 | 102.5 | 95.9 | -171.3 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 349 | F | 28.6 | Very low | 27 | Very low | 206 Ų | 206 | 145.3 Ų | 145.3 | 90% | 0.904 | 76% | 0.763 | S | S | * | * | trans | -142.6 | 130.7 | 144.2 | -152.5 | -95.5 | 0 | 0 | 0 | 110.5 | ||||
| 350 | N | 25.3 | Very low | 27 | Very low | 138 Ų | 138 | 145.9 Ų | 145.9 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | trans | -101.3 | 163.2 | -174.1 | -73.6 | -24.5 | 0 | 0 | 0 | 112.1 | ||||
| 351 | G | 29.7 | Very low | 27 | Very low | 67 Ų | 67 | 145.4 Ų | 145.4 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | trans | 145.1 | 86.7 | -180 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 352 | E | 25.2 | Very low | 27.2 | Very low | 172 Ų | 172 | 144.8 Ų | 144.8 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | 49.8 | 136 | 62.2 | -59 | -164.4 | 158.2 | 0 | 0 | 114.4 | |||||
| 353 | L | 23.6 | Very low | 27.1 | Very low | 123 Ų | 123 | 143.8 Ų | 143.8 | 64% | 0.644 | 76% | 0.763 | S | S | * | * | cis | -162.5 | 152.9 | -17 | -107.7 | 162.7 | 0 | 0 | 0 | 105.7 | ||||
| 354 | H | 25.3 | Very low | 27 | Very low | 153 Ų | 153 | 144 Ų | 144 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | trans | 31.8 | 132.4 | 162.5 | -60.4 | -59.9 | 0 | 0 | 0 | 122.1 | ||||
| 355 | T | 29.6 | Very low | 26.8 | Very low | 144 Ų | 144 | 148.6 Ų | 148.6 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | -162.9 | 130.8 | 104.5 | 17.8 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 356 | E | 22.8 | Very low | 26.9 | Very low | 174 Ų | 174 | 148.1 Ų | 148.1 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | trans | -90 | 146.7 | 167.1 | -61 | 170.5 | 120.3 | 0 | 0 | 109.7 | ||||
| 357 | T | 27.9 | Very low | 26.9 | Very low | 137 Ų | 137 | 148.5 Ų | 148.5 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | trans | 172.2 | 118 | 139.2 | 29.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 358 | N | 25.2 | Very low | 26.6 | Very low | 135 Ų | 135 | 145.6 Ų | 145.6 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | 94.4 | 149.6 | 59.2 | -161.4 | 8.9 | 0 | 0 | 0 | 112.4 | |||||
| 359 | L | 27.8 | Very low | 26.6 | Very low | 138 Ų | 138 | 146.3 Ų | 146.3 | 72% | 0.723 | 78% | 0.78 | S | S | * | * | trans | 88.4 | 82.8 | 170.6 | -52.8 | 174.7 | 0 | 0 | 0 | 120.4 | ||||
| 360 | Q | 27 | Very low | 26.6 | Very low | 154 Ų | 154 | 143.4 Ų | 143.4 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | 41.6 | 113.6 | 116.7 | -79.6 | 145.7 | -40.6 | 0 | 0 | 123 | |||||
| 361 | S | 26.6 | Very low | 26.6 | Very low | 108 Ų | 108 | 143.2 Ų | 143.2 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | 36.6 | 116.2 | 125.1 | 63.2 | 0 | 0 | 0 | 0 | 121 | |||||
| 362 | N | 32.6 | Very low | 26.6 | Very low | 168 Ų | 168 | 150 Ų | 150 | 90% | 0.898 | 78% | 0.783 | S | S | * | * | trans | -123.4 | 139.9 | 157.3 | -94 | -43.1 | 0 | 0 | 0 | 111.6 | ||||
| 363 | N | 24.9 | Very low | 26.6 | Very low | 153 Ų | 153 | 147 Ų | 147 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -85.7 | 152.7 | 174.4 | -78.7 | -71.4 | 0 | 0 | 0 | 111.3 | ||||
| 364 | L | 28.1 | Very low | 26.9 | Very low | 170 Ų | 170 | 148.9 Ų | 148.9 | 89% | 0.89 | 79% | 0.79 | S | S | * | * | 165.2 | 152.7 | 112.7 | -86.7 | 168.4 | 0 | 0 | 0 | 113.3 | |||||
| 365 | K | 24.2 | Very low | 27 | Very low | 202 Ų | 202 | 146.9 Ų | 146.9 | 88% | 0.878 | 79% | 0.793 | S | S | * | * | trans | -87.7 | 141 | 175 | -74.1 | 171.5 | 169.9 | 174.9 | 0 | 111.6 | ||||
| 366 | V | 30.2 | Very low | 26.8 | Very low | 136 Ų | 136 | 148.7 Ų | 148.7 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | trans | -145.3 | 103.6 | 159.8 | 178.4 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 367 | Q | 25.9 | Very low | 27.7 | Very low | 158 Ų | 158 | 145.4 Ų | 145.4 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | 90.8 | 126.2 | 83 | -156.4 | 69.1 | 8.1 | 0 | 0 | 112.7 | |||||
| 368 | S | 24 | Very low | 27.5 | Very low | 100 Ų | 100 | 145.1 Ų | 145.1 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | trans | -93.5 | -163.7 | 172.8 | 55.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 369 | I | 24.8 | Very low | 27.6 | Very low | 136 Ų | 136 | 146.7 Ų | 146.7 | 70% | 0.697 | 79% | 0.786 | S | S | * | * | trans | 107.9 | 150.3 | 167.8 | -49.8 | 154.5 | 0 | 0 | 0 | 114.4 | ||||
| 370 | I | 27.7 | Very low | 27.5 | Very low | 145 Ų | 145 | 148.2 Ų | 148.2 | 74% | 0.744 | 79% | 0.789 | S | S | * | * | trans | 95.2 | 77.9 | 167.7 | -43.2 | -175.7 | 0 | 0 | 0 | 117.7 | ||||
| 371 | D | 24.7 | Very low | 27.3 | Very low | 135 Ų | 135 | 149.2 Ų | 149.2 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | 13.7 | 135.6 | 122.8 | -56.9 | -53.2 | 0 | 0 | 0 | 120.9 | |||||
| 372 | K | 31.5 | Very low | 27.3 | Very low | 210 Ų | 210 | 148 Ų | 148 | 91% | 0.913 | 80% | 0.803 | S | S | * | * | trans | -136.6 | 100 | 146.9 | -77.9 | -171.6 | 177.5 | 176.4 | 0 | 110.9 | ||||
| 373 | S | 24.2 | Very low | 26.8 | Very low | 108 Ų | 108 | 144.7 Ų | 144.7 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | trans | -121.4 | 132.3 | 164.5 | 52.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 374 | L | 29.3 | Very low | 27 | Very low | 163 Ų | 163 | 146.4 Ų | 146.4 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | -143.8 | 138.4 | -175.4 | -93.2 | 167.3 | 0 | 0 | 0 | 112.3 | ||||
| 375 | S | 28.8 | Very low | 26.7 | Very low | 110 Ų | 110 | 145.2 Ų | 145.2 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | 58.6 | 89.5 | 156.6 | 55.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 376 | H | 25.9 | Very low | 26.8 | Very low | 183 Ų | 183 | 142.2 Ų | 142.2 | 85% | 0.847 | 79% | 0.79 | S | S | * | * | -13.9 | 174.6 | 115.7 | -75.9 | 6.4 | 0 | 0 | 0 | 119.4 | |||||
| 377 | P | 41.8 | Very low | 26.6 | Very low | 105 Ų | 105 | 143 Ų | 143 | 68% | 0.682 | 79% | 0.785 | S | S | * | * | cis | -144.9 | 169.1 | -33.8 | 39.7 | -21.5 | 0 | 0 | 0 | 116.7 | ||||
| 378 | V | 23.2 | Very low | 26.7 | Very low | 130 Ų | 130 | 143 Ų | 143 | 79% | 0.788 | 78% | 0.784 | S | S | * | * | trans | 22.5 | 144.2 | 135.6 | -165.4 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 379 | Q | 26.3 | Very low | 26.9 | Very low | 168 Ų | 168 | 146.3 Ų | 146.3 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | 119.1 | 144.6 | 158.3 | -67.3 | -176.3 | -5.6 | 0 | 0 | 113.4 | ||||
| 380 | Q | 26.3 | Very low | 26.9 | Very low | 170 Ų | 170 | 146.2 Ų | 146.2 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | cis | -152.7 | 171.8 | -2.4 | -136.5 | 174.8 | -5.9 | 0 | 0 | 111.8 | ||||
| 381 | L | 22.5 | Very low | 27.1 | Very low | 175 Ų | 175 | 148 Ų | 148 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | trans | -65.1 | 153.4 | 176.1 | -69.7 | 128.6 | 0 | 0 | 0 | 114.3 | ||||
| 382 | G | 26.6 | Very low | 27.2 | Very low | 83 Ų | 83 | 146.6 Ų | 146.6 | 86% | 0.856 | 80% | 0.8 | S | S | * | * | trans | -172.9 | 106.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 383 | A | 22.4 | Very low | 26.8 | Very low | 99 Ų | 99 | 142.2 Ų | 142.2 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -103.7 | 125.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 384 | Q | 27.8 | Very low | 27.1 | Very low | 188 Ų | 188 | 142.5 Ų | 142.5 | 88% | 0.879 | 79% | 0.793 | S | S | * | * | trans | -163.1 | 121.5 | 161.6 | -102.1 | 157.8 | 33.6 | 0 | 0 | 107 | ||||
| 385 | N | 22.9 | Very low | 26.9 | Very low | 145 Ų | 145 | 142 Ų | 142 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | 102.3 | 154.9 | 65 | -141.4 | -2.1 | 0 | 0 | 0 | 109.9 | |||||
| 386 | L | 26.5 | Very low | 26.6 | Very low | 139 Ų | 139 | 146.2 Ų | 146.2 | 73% | 0.728 | 79% | 0.787 | S | S | * | * | trans | 74.9 | 143.9 | 178.4 | -49.7 | 159.7 | 0 | 0 | 0 | 115.2 | ||||
| 387 | Q | 25.2 | Very low | 26.5 | Very low | 153 Ų | 153 | 145.7 Ų | 145.7 | 72% | 0.715 | 78% | 0.782 | S | S | * | * | cis | -171.1 | 173.8 | -24.7 | -121.3 | 172.9 | 7.8 | 0 | 0 | 108 | ||||
| 388 | H | 27.8 | Very low | 25.8 | Very low | 159 Ų | 159 | 149.6 Ų | 149.6 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | trans | 62.1 | 109.7 | 170.3 | -74 | -83.5 | 0 | 0 | 0 | 116.9 | ||||
| 389 | L | 28.3 | Very low | 25.9 | Very low | 168 Ų | 168 | 148.8 Ų | 148.8 | 88% | 0.88 | 79% | 0.791 | S | S | * | * | -155.8 | 144.2 | 69.3 | -100.1 | 149.7 | 0 | 0 | 0 | 112.9 | |||||
| 390 | N | 25.9 | Very low | 25.8 | Very low | 134 Ų | 134 | 147.9 Ų | 147.9 | 72% | 0.717 | 79% | 0.79 | S | S | * | * | trans | -88.9 | 145.8 | 177.7 | -71.8 | -47 | 0 | 0 | 0 | 111.8 | ||||
| 391 | H | 31.6 | Very low | 25.8 | Very low | 184 Ų | 184 | 145.3 Ų | 145.3 | 85% | 0.852 | 79% | 0.786 | S | S | * | * | -178.2 | 95.6 | 127 | -83 | -23.5 | 0 | 0 | 0 | 107.6 | |||||
| 392 | S | 26.4 | Very low | 26.1 | Very low | 105 Ų | 105 | 142.8 Ų | 142.8 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | 74.2 | 86 | 90.5 | -173.6 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 393 | S | 23.8 | Very low | 26.1 | Very low | 117 Ų | 117 | 149 Ų | 149 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | trans | -93.6 | 136.8 | 159.4 | 54.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 394 | T | 29.3 | Very low | 26.4 | Very low | 115 Ų | 115 | 152 Ų | 152 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | trans | -157.1 | 113.8 | 167.1 | -15.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 395 | M | 25.2 | Very low | 26.3 | Very low | 151 Ų | 151 | 151.6 Ų | 151.6 | 74% | 0.744 | 77% | 0.771 | S | S | * | * | trans | 46.5 | 115.6 | 131.1 | -60.2 | -66.4 | 156.5 | 0 | 0 | 119 | ||||
| 396 | R | 24 | Very low | 27.2 | Very low | 199 Ų | 199 | 150.3 Ų | 150.3 | 75% | 0.751 | 77% | 0.771 | S | S | * | * | 96.2 | 109.9 | 56.5 | -177.8 | -167.9 | -135.6 | -170.3 | 5.6 | 112.1 | |||||
| 397 | K | 23.7 | Very low | 27.2 | Very low | 173 Ų | 173 | 147 Ų | 147 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | trans | 53.1 | 128.3 | 154.9 | -60.8 | 178.4 | 175.7 | -169.7 | 0 | 118.5 | ||||
| 398 | Q | 27.3 | Very low | 27.4 | Very low | 186 Ų | 186 | 147.1 Ų | 147.1 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | -174.5 | 150.2 | 102.8 | -100.2 | 166.6 | -5.4 | 0 | 0 | 112.6 | |||||
| 399 | S | 23.3 | Very low | 27.2 | Very low | 113 Ų | 113 | 144.3 Ų | 144.3 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | -115.1 | 121.3 | -177.8 | 51.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 400 | I | 25.9 | Very low | 27.1 | Very low | 150 Ų | 150 | 142 Ų | 142 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | -154.6 | 135.4 | -178.8 | -62.3 | -177.6 | 0 | 0 | 0 | 107 | ||||
| 401 | V | 26 | Very low | 27.1 | Very low | 115 Ų | 115 | 144.5 Ų | 144.5 | 70% | 0.697 | 78% | 0.778 | S | S | * | * | cis | -160.9 | -172.6 | -25.5 | 93.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 402 | D | 29.2 | Very low | 26.9 | Very low | 123 Ų | 123 | 141.6 Ų | 141.6 | 66% | 0.658 | 78% | 0.778 | S | S | * | * | trans | 68.7 | 116.8 | 171.3 | -68 | -36.1 | 0 | 0 | 0 | 118.5 | ||||
| 403 | R | 25.3 | Very low | 27.1 | Very low | 212 Ų | 212 | 145 Ų | 145 | 80% | 0.8 | 78% | 0.779 | S | S | * | * | 78.4 | 100.3 | 61.4 | -77.2 | -174.9 | 165.6 | 178.4 | -4.5 | 114 | |||||
| 404 | N | 29.7 | Very low | 27.1 | Very low | 162 Ų | 162 | 144.8 Ų | 144.8 | 87% | 0.866 | 78% | 0.778 | S | S | * | * | 179.2 | 135.2 | 107.1 | -86.3 | -27.4 | 0 | 0 | 0 | 112.8 | |||||
| 405 | Q | 25.8 | Very low | 27.2 | Very low | 180 Ų | 180 | 146.6 Ų | 146.6 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | trans | -91.1 | -173 | 159.8 | -63.9 | -176.3 | -17.5 | 0 | 0 | 108.9 | ||||
| 406 | P | 40.5 | Very low | 27.3 | Very low | 118 Ų | 118 | 145.1 Ų | 145.1 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | cis | -129.5 | 169.5 | -19.5 | 16.6 | 7.5 | 0 | 0 | 0 | 114.3 | ||||
| 407 | G | 26.4 | Very low | 27.4 | Very low | 69 Ų | 69 | 139 Ų | 139 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | trans | 83.1 | 114.4 | 130 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 408 | T | 29.9 | Very low | 27.5 | Very low | 157 Ų | 157 | 141.4 Ų | 141.4 | 96% | 0.963 | 79% | 0.787 | S | S | * | * | trans | -159.1 | 149.7 | 130 | 8.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 409 | S | 24.6 | Very low | 27.5 | Very low | 99 Ų | 99 | 140.4 Ų | 140.4 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | trans | -102.1 | 162.8 | -167.9 | 48.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 410 | T | 24.8 | Very low | 27.7 | Very low | 120 Ų | 120 | 139.4 Ų | 139.4 | 74% | 0.736 | 78% | 0.78 | S | S | * | * | trans | 47.9 | 115 | 153.5 | 51.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 411 | K | 27.2 | Very low | 27.9 | Very low | 187 Ų | 187 | 140 Ų | 140 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | -169.2 | 98.6 | 123.5 | -102 | 148.6 | -169.1 | 170.8 | 0 | 112.1 | K413 | K411-K413 PolarHBondContact O-N 3.02Š| |||
| 412 | S | 26.4 | Very low | 27.8 | Very low | 123 Ų | 123 | 144 Ų | 144 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | -66 | 112.8 | 152.1 | 39.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 413 | K | 30.3 | Very low | 27.8 | Very low | 175 Ų | 175 | 144 Ų | 144 | 76% | 0.761 | 79% | 0.792 | S | S | * | * | trans | -98.3 | 103.6 | 170.1 | -85.2 | -174 | 173.9 | -179.4 | 0 | 109.5 | K411 | K411-K413 PolarHBondContact O-N 3.02Š| ||
| 414 | S | 25 | Very low | 27.7 | Very low | 114 Ų | 114 | 139.6 Ų | 139.6 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -61.9 | 134.2 | 152.9 | 42.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 415 | I | 30.3 | Very low | 27.5 | Very low | 153 Ų | 153 | 138.2 Ų | 138.2 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | -125.2 | 121.2 | 164 | -61.8 | -175.6 | 0 | 0 | 0 | 106.8 | ||||
| 416 | P | 28.1 | Very low | 27.6 | Very low | 119 Ų | 119 | 138.7 Ų | 138.7 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | -101.7 | 165.5 | -170.3 | 38.7 | -35.1 | 0 | 0 | 0 | 113 | ||||
| 417 | G | 26.1 | Very low | 26.9 | Very low | 71 Ų | 71 | 142.8 Ų | 142.8 | 73% | 0.732 | 80% | 0.799 | S | S | * | * | 97.5 | 107.4 | 128.1 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 418 | R | 24.6 | Very low | 26.9 | Very low | 223 Ų | 223 | 149.1 Ų | 149.1 | 84% | 0.842 | 81% | 0.807 | S | S | * | * | 63.4 | 96.3 | 117.7 | -166.8 | -169.3 | -162.3 | -173.9 | 7.2 | 118 | |||||
| 419 | L | 28.9 | Very low | 26.6 | Very low | 165 Ų | 165 | 148 Ų | 148 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | -128.5 | 102.4 | 139.6 | -81.5 | 178 | 0 | 0 | 0 | 110.6 | ||||
| 420 | S | 25.8 | Very low | 26.8 | Very low | 92 Ų | 92 | 152.2 Ų | 152.2 | 64% | 0.643 | 81% | 0.806 | S | S | * | * | trans | -98.9 | 103.4 | 172.9 | 54.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 421 | H | 30.3 | Very low | 26.8 | Very low | 162 Ų | 162 | 154.2 Ų | 154.2 | 75% | 0.75 | 81% | 0.807 | S | S | * | * | trans | -113.7 | 102.4 | 165.9 | -84 | -73.4 | 0 | 0 | 0 | 110.4 | T423 | H421-T423 PolarHBondContact O-N 3.1Š| ||
| 422 | K | 25.2 | Very low | 26.8 | Very low | 200 Ų | 200 | 153.8 Ų | 153.8 | 87% | 0.87 | 81% | 0.807 | S | S | * | * | trans | -70 | 120.4 | 162.2 | -71.8 | 178.6 | 173.6 | -179.3 | 0 | 108.2 | ||||
| 423 | T | 28.2 | Very low | 26.9 | Very low | 124 Ų | 124 | 155.8 Ų | 155.8 | 76% | 0.761 | 81% | 0.809 | S | S | * | * | trans | -133.5 | 111.9 | 156.6 | 47.9 | 0 | 0 | 0 | 0 | 108.5 | H421 | H421-T423 PolarHBondContact O-N 3.1Š| ||
| 424 | S | 22.8 | Very low | 26.8 | Very low | 118 Ų | 118 | 151.6 Ų | 151.6 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | -88.5 | 108.6 | -176.5 | -49.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 425 | T | 27.2 | Very low | 26.9 | Very low | 134 Ų | 134 | 158.4 Ų | 158.4 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | trans | -145.1 | 72.7 | 165.5 | 53.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 426 | E | 26.4 | Very low | 26.7 | Very low | 190 Ų | 190 | 160 Ų | 160 | 89% | 0.888 | 81% | 0.811 | S | S | * | * | trans | -80.4 | 118.4 | 161.3 | -71 | -174.9 | 143.9 | 0 | 0 | 109.9 | ||||
| 427 | K | 26 | Very low | 26.6 | Very low | 203 Ų | 203 | 160.1 Ų | 160.1 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | trans | 163.2 | 86.3 | 145.6 | -93.1 | 170.4 | -177.9 | 179.9 | 0 | 109.4 | ||||
| 428 | K | 27.3 | Very low | 26.7 | Very low | 202 Ų | 202 | 163.1 Ų | 163.1 | 88% | 0.878 | 82% | 0.819 | S | S | * | * | trans | -126.1 | 99.6 | 159.2 | -91.3 | -174.2 | 175 | 176.7 | 0 | 110 | ||||
| 429 | T | 23.9 | Very low | 26.7 | Very low | 134 Ų | 134 | 157.5 Ų | 157.5 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | trans | -13.2 | 126.3 | 149 | 41.9 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 430 | K | 27.1 | Very low | 26.6 | Very low | 188 Ų | 188 | 157.7 Ų | 157.7 | 82% | 0.817 | 82% | 0.815 | S | S | * | * | trans | -159.3 | 127.8 | 142.4 | -115.1 | 174.4 | -174.6 | -174 | 0 | 113.4 | ||||
| 431 | Q | 25.9 | Very low | 26.8 | Very low | 161 Ų | 161 | 156.8 Ų | 156.8 | 75% | 0.752 | 82% | 0.821 | S | S | * | * | trans | 64.6 | 82.4 | 151.1 | -71.2 | 167.7 | -57.7 | 0 | 0 | 118.4 | ||||
| 432 | E | 26.6 | Very low | 26.5 | Very low | 178 Ų | 178 | 157.4 Ų | 157.4 | 83% | 0.832 | 83% | 0.829 | S | S | * | * | trans | -54.6 | 129.7 | 142.1 | -57.8 | 173.4 | 132.7 | 0 | 0 | 110.2 | ||||
| 433 | N | 28.2 | Very low | 26.7 | Very low | 166 Ų | 166 | 153.5 Ų | 153.5 | 89% | 0.888 | 82% | 0.822 | S | S | * | * | trans | -106.1 | 79.6 | 159.9 | -95.8 | -21.7 | 0 | 0 | 0 | 108.2 | ||||
| 434 | S | 28.5 | Very low | 26.6 | Very low | 86 Ų | 86 | 154 Ų | 154 | 60% | 0.601 | 82% | 0.82 | S | S | * | * | trans | -80.5 | 121 | 173.9 | 55.2 | 0 | 0 | 0 | 0 | 110.4 | K436 | S434-K436 PolarHBondContact O-N 3.49Š| ||
| 435 | R | 26.6 | Very low | 26.9 | Very low | 257 Ų | 257 | 157.2 Ų | 157.2 | 97% | 0.97 | 82% | 0.819 | S | S | * | * | trans | -69.5 | 96 | 170.1 | -73.1 | 176.6 | 173.5 | 164.1 | -3.1 | 108.7 | ||||
| 436 | K | 27.9 | Very low | 26.9 | Very low | 186 Ų | 186 | 157.1 Ų | 157.1 | 81% | 0.809 | 81% | 0.814 | S | S | * | * | trans | -92.3 | 123.2 | 166.4 | -93.1 | -177.8 | 174.1 | 176.9 | 0 | 110.5 | S434 | S434-K436 PolarHBondContact O-N 3.49Š| ||
| 437 | S | 25.5 | Very low | 26.9 | Very low | 122 Ų | 122 | 155.8 Ų | 155.8 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | trans | -59.2 | 131.5 | 167 | 26.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 438 | T | 27.8 | Very low | 27 | Very low | 135 Ų | 135 | 155 Ų | 155 | 83% | 0.828 | 81% | 0.812 | S | S | * | * | trans | -117.3 | 116.6 | 166.5 | 35 | 0 | 0 | 0 | 0 | 109 | ||||
| 439 | S | 23.9 | Very low | 26.9 | Very low | 105 Ų | 105 | 153.6 Ų | 153.6 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | trans | -71.9 | 138.5 | 159.6 | 54 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 440 | N | 27.8 | Very low | 27.1 | Very low | 168 Ų | 168 | 154.3 Ų | 154.3 | 90% | 0.898 | 81% | 0.81 | S | S | * | * | trans | 171.1 | 130.7 | 139.4 | -86.9 | -13.2 | 0 | 0 | 0 | 108.8 | ||||
| 441 | G | 29 | Very low | 27.1 | Very low | 74 Ų | 74 | 151.8 Ų | 151.8 | 76% | 0.763 | 81% | 0.806 | S | S | * | * | trans | 163.9 | 30.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | V443 | G441-V443 PolarHBondContact O-N 2.88Š| ||
| 442 | L | 24.3 | Very low | 27.2 | Very low | 174 Ų | 174 | 152.2 Ų | 152.2 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | trans | -71.7 | 105.7 | 165.2 | -87.2 | 162.7 | 0 | 0 | 0 | 108.7 | ||||
| 443 | V | 30.1 | Very low | 27.3 | Very low | 119 Ų | 119 | 147.8 Ų | 147.8 | 72% | 0.721 | 80% | 0.796 | S | S | * | * | trans | -130 | 87.6 | 163.5 | -178.1 | 0 | 0 | 0 | 0 | 107.9 | G441 F445 | G441-V443 PolarHBondContact O-N 2.88Å; V443-F445 HydrophobicContact CG1-CD2 3.72Å; V443-F445 HydrophobicContact CG1-CE2 4.17Å | ||
| 444 | N | 26.8 | Very low | 27.3 | Very low | 134 Ų | 134 | 149.2 Ų | 149.2 | 72% | 0.717 | 80% | 0.795 | S | S | * | * | trans | -91.2 | 97.1 | 174.5 | -171.9 | 33 | 0 | 0 | 0 | 107.9 | ||||
| 445 | F | 28.8 | Very low | 27.2 | Very low | 186 Ų | 186 | 154.1 Ų | 154.1 | 82% | 0.816 | 81% | 0.805 | S | S | * | * | trans | -91.2 | 114.9 | 173.8 | -108.7 | -78.2 | 0 | 0 | 0 | 109.9 | V443 | V443-F445 HydrophobicContact CG1-CD2 3.72Å; V443-F445 HydrophobicContact CG1-CE2 4.17Å | ||
| 446 | N | 27.8 | Very low | 27.3 | Very low | 132 Ų | 132 | 148.8 Ų | 148.8 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | trans | -68 | 152 | 179.7 | -74.2 | -38.3 | 0 | 0 | 0 | 112.1 | E448 | N446-E448 PolarHBondContact O-N 3.46Š| ||
| 447 | N | 26 | Very low | 27.4 | Very low | 161 Ų | 161 | 145.4 Ų | 145.4 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | trans | -61.3 | 126.9 | 163.1 | -63.8 | -50.4 | 0 | 0 | 0 | 110.3 | ||||
| 448 | E | 27.5 | Very low | 27.6 | Very low | 188 Ų | 188 | 146 Ų | 146 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | trans | -127.2 | 131 | 151.1 | -86.9 | -168.6 | 155 | 0 | 0 | 109.9 | N446 | N446-E448 PolarHBondContact O-N 3.46Š| ||
| 449 | L | 25.2 | Very low | 27.7 | Very low | 172 Ų | 172 | 145.6 Ų | 145.6 | 90% | 0.901 | 79% | 0.787 | S | S | * | * | trans | -77.7 | 129.4 | 177 | -63.9 | 104.8 | 0 | 0 | 0 | 109.4 | ||||
| 450 | I | 28.5 | Very low | 27.8 | Very low | 148 Ų | 148 | 148.9 Ų | 148.9 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | trans | -113.3 | 97 | 160.1 | -62.3 | -177.8 | 0 | 0 | 0 | 108.2 | Q452 | I450-Q452 HydrophobicContact CG2-CG 4.36Å; I450-Q452 PolarHBondContact O-N 2.87Å | ||
| 451 | D | 26.9 | Very low | 28 | Very low | 136 Ų | 136 | 145.8 Ų | 145.8 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | -57 | 119.7 | 164.9 | 175.6 | 10.9 | 0 | 0 | 0 | 109.7 | S453 | D451-S453 PolarHBondContact OD1-N 3.14Å; D451-S453 VanDerWaalsContact OD1-N 3.08Å | ||
| 452 | Q | 28.9 | Very low | 27.9 | Very low | 170 Ų | 170 | 147.6 Ų | 147.6 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | trans | -117.7 | 81.8 | 163.5 | -74.7 | -159.6 | 4.5 | 0 | 0 | 110.5 | I450 K454 | I450-Q452 HydrophobicContact CG2-CG 4.36Å; I450-Q452 PolarHBondContact O-N 2.87Å; Q452-K454 PolarHBondContact O-N 3.4Å | ||
| 453 | S | 27.1 | Very low | 28.2 | Very low | 84 Ų | 84 | 150.2 Ų | 150.2 | 59% | 0.587 | 79% | 0.787 | S | S | * | * | trans | -44.5 | 119.2 | 163.2 | 65.7 | 0 | 0 | 0 | 0 | 112.5 | D451 | D451-S453 PolarHBondContact OD1-N 3.14Å; D451-S453 VanDerWaalsContact OD1-N 3.08Å | ||
| 454 | K | 29.2 | Very low | 28.3 | Very low | 196 Ų | 196 | 149.5 Ų | 149.5 | 85% | 0.852 | 78% | 0.784 | S | S | * | * | trans | -112 | 83.1 | 153.2 | -84.1 | -171.5 | 176.3 | 177.9 | 0 | 109.9 | Q452 I456 | Q452-K454 PolarHBondContact O-N 3.4Å; K454-I456 PolarHBondContact O-N 2.93Å | ||
| 455 | K | 26 | Very low | 28.4 | Very low | 189 Ų | 189 | 149.4 Ų | 149.4 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | -70.5 | 117.3 | 158.9 | -68.7 | 176.4 | 179.1 | 173.3 | 0 | 107.8 | ||||
| 456 | I | 28.8 | Very low | 28.5 | Very low | 146 Ų | 146 | 146.2 Ų | 146.2 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | trans | -111.7 | 103.6 | 159 | -61.9 | -179.7 | 0 | 0 | 0 | 106.5 | K454 | K454-I456 PolarHBondContact O-N 2.93Š| ||
| 457 | P | 28.9 | Very low | 28.6 | Very low | 114 Ų | 114 | 147.7 Ų | 147.7 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 124 | 173.2 | 31.6 | -29.8 | 0 | 0 | 0 | 109.1 | ||
| 458 | V | 31.4 | Very low | 28.9 | Very low | 135 Ų | 135 | 147.6 Ų | 147.6 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 125.4 | 161.5 | 179.3 | 0 | 0 | 0 | 0 | 108.1 | ||
| 459 | T | 28.7 | Very low | 29.2 | Very low | 126 Ų | 126 | 147.3 Ų | 147.3 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 150 | -167.9 | 39 | 0 | 0 | 0 | 0 | 113.8 | ||
| 460 | M | 25.6 | Very low | 29.7 | Very low | 175 Ų | 175 | 146.7 Ų | 146.7 | 86% | 0.862 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -47 | 134.4 | 168 | -63.7 | -76.5 | -170.4 | 0 | 0 | 112.6 | T462 | M460-T462 HydrophobicContact CB-CG2 4.49Š|
| 461 | A | 31.9 | Very low | 30.4 | Very low | 102 Ų | 102 | 146.5 Ų | 146.5 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | -112.9 | 104.9 | 154.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 462 | T | 28.7 | Very low | 31.4 | Very low | 113 Ų | 113 | 146.2 Ų | 146.2 | 69% | 0.693 | 79% | 0.79 | S | S | * | * | trans | -90.1 | 122.3 | 180 | 48 | 0 | 0 | 0 | 0 | 111.1 | M460 | M460-T462 HydrophobicContact CB-CG2 4.49Š| ||
| 463 | Y | 29.4 | Very low | 32.4 | Very low | 229 Ų | 229 | 144.5 Ų | 144.5 | 90% | 0.898 | 78% | 0.782 | S | S | * | * | trans | -137.1 | 148.2 | 151.6 | -80.7 | -74.6 | 0 | 0 | 0 | 110.2 | ||||
| 464 | P | 32 | Very low | 33.7 | Very low | 104 Ų | 104 | 150 Ų | 150 | 68% | 0.675 | 79% | 0.789 | S | S | * | * | trans | -112 | 151.4 | -152.1 | 40.4 | -32.6 | 0 | 0 | 0 | 115.5 | ||||
| 465 | T | 28.6 | Very low | 34.9 | Very low | 131 Ų | 131 | 145.8 Ų | 145.8 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | 43.2 | 109.9 | 145.2 | 57 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 466 | S | 32.1 | Very low | 36.3 | Very low | 120 Ų | 120 | 140.8 Ų | 140.8 | 84% | 0.839 | 76% | 0.759 | S | S | * | * | trans | -137.8 | 124.7 | 135.7 | 56.6 | 0 | 0 | 0 | 0 | 110.1 | I468 | S466-I468 PolarHBondContact O-N 3.45Š| ||
| 467 | N | 29.5 | Very low | 38 | Very low | 163 Ų | 163 | 139.3 Ų | 139.3 | 87% | 0.872 | 75% | 0.75 | S | S | * | * | trans | -75.2 | 118.4 | -178.2 | -77.2 | -34.7 | 0 | 0 | 0 | 111.2 | ||||
| 468 | I | 31.6 | Very low | 40.1 | Very low | 158 Ų | 158 | 140.9 Ų | 140.9 | 81% | 0.81 | 75% | 0.745 | S | S | * | * | trans | -136.8 | 133.3 | 146 | -60.1 | -174.7 | 0 | 0 | 0 | 108.2 | S466 L470 | S466-I468 PolarHBondContact O-N 3.45Å; I468-L470 PolarHBondContact O-N 3.33Å | ||
| 469 | Q | 34.2 | Very low | 41.9 | Very low | 182 Ų | 182 | 138.3 Ų | 138.3 | 85% | 0.85 | 73% | 0.729 | S | S | * | * | trans | -76.5 | 117.8 | -174.5 | -66.8 | 131.6 | -54.5 | 0 | 0 | 112.2 | ||||
| 470 | L | 35.3 | Very low | 43.8 | Very low | 159 Ų | 159 | 137.3 Ų | 137.3 | 83% | 0.832 | 72% | 0.718 | S | S | * | * | trans | -134.1 | 94.8 | 161.7 | -84.8 | 169.4 | 0 | 0 | 0 | 108 | I468 | I468-L470 PolarHBondContact O-N 3.33Š| ||
| 471 | N | 44.3 | Very low | 46.2 | Very low | 145 Ų | 145 | 134 Ų | 134 | 78% | 0.775 | 70% | 0.703 | S | S | * | * | trans | -102.7 | 1 | -161.5 | -144.2 | 18 | 0 | 0 | 0 | 115 | ||||
| 472 | D | 48.2 | Very low | 48.6 | Very low | 130 Ų | 130 | 135.6 Ų | 135.6 | 70% | 0.695 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -86 | -42.4 | -176.5 | -83.7 | -43.8 | 0 | 0 | 0 | 114.4 | R474 N475 | D472-R474 PolarHBondContact O-N 2.91Å; D472-N475 PolarHBondContact O-N 3.3Å; D472-N475 VanDerWaalsContact O-N 3.15Å |
| 473 | H | 49.3 | Very low | 50.8 | Low | 134 Ų | 134 | 135.1 Ų | 135.1 | 62% | 0.62 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -62.9 | -13.4 | -172.2 | -72.3 | -36.8 | 0 | 0 | 0 | 115.8 | N475 D476 M477 | H473-N475 VanDerWaalsContact C-N 3.33Å; H473-D476 IonicContact ND1-OD2 3.25Å; H473-D476 PolarHBondContact ND1-OD2 3.48Å; H473-M477 PolarHBondContact O-N 3.37Å; H473-M477 VanDerWaalsContact O-N 3.14Å |
| 474 | R | 53.3 | Low | 53.1 | Low | 198 Ų | 198 | 128.6 Ų | 128.6 | 75% | 0.747 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -75.1 | -23.2 | 179.5 | -156.4 | 175.5 | -170.9 | -169.9 | 3.7 | 113 | D472 | D472-R474 PolarHBondContact O-N 2.91Å |
| 475 | N | 55.6 | Low | 55.6 | Low | 108 Ų | 108 | 131 Ų | 131 | 58% | 0.578 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -80.3 | -45.4 | 171.1 | -75 | -22.7 | 0 | 0 | 0 | 110.5 | D472 H473 M477 K478 T479 | D472-N475 PolarHBondContact O-N 3.3Å; D472-N475 VanDerWaalsContact O-N 3.15Å; H473-N475 VanDerWaalsContact C-N 3.33Å; N475-M477 VanDerWaalsContact C-N 3.32Å; N475-M477 PolarHBondContact O-N 2.96Å; N475-K478 PolarHBondContact O-N 3.2Å; N475-T479 PolarHBondContact O-N 3.34Å; N475-T479 PolarHBondContact O-OG1 3.43Å; N475-T479 VanDerWaalsContact O-OG1 3.13Å |
| 476 | D | 54.5 | Low | 58.3 | Low | 85 Ų | 85 | 129.7 Ų | 129.7 | 46% | 0.455 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -53.1 | -47 | 177.2 | -60.3 | -26.9 | 0 | 0 | 0 | 112.3 | H473 K478 T479 M480 | H473-D476 IonicContact ND1-OD2 3.25Å; H473-D476 PolarHBondContact ND1-OD2 3.48Å; D476-K478 VanDerWaalsContact C-N 3.31Å; D476-K478 PolarHBondContact O-N 3.29Å; D476-T479 PolarHBondContact O-N 3.28Å; D476-M480 WeakPolarHBondContact O-CB 3.48Å; D476-M480 PolarHBondContact O-N 2.78Å |
| 477 | M | 64.1 | Low | 60.7 | Low | 115 Ų | 115 | 129.8 Ų | 129.8 | 57% | 0.567 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -64.9 | -30.5 | 179.5 | -81.3 | -70.9 | 166.1 | 0 | 0 | 113.6 | H473 N475 N481 | H473-M477 PolarHBondContact O-N 3.37Å; H473-M477 VanDerWaalsContact O-N 3.14Å; N475-M477 VanDerWaalsContact C-N 3.32Å; N475-M477 PolarHBondContact O-N 2.96Å; M477-N481 PolarHBondContact O-N 2.78Å; M477-N481 PolarHBondContact O-ND2 3.05Å |
| 478 | K | 73.7 | Confident | 63.2 | Low | 147 Ų | 147 | 126.6 Ų | 126.6 | 64% | 0.639 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -72.5 | -43.4 | 172.8 | -74.8 | -179 | 176.1 | -179.2 | 0 | 111.2 | N475 D476 K482 | N475-K478 PolarHBondContact O-N 3.2Å; D476-K478 VanDerWaalsContact C-N 3.31Å; D476-K478 PolarHBondContact O-N 3.29Å; K478-K482 PolarHBondContact O-N 3Å; K478-K482 VanDerWaalsContact O-N 3.08Å |
| 479 | T | 70.4 | Confident | 65.7 | Low | 80 Ų | 80 | 124 Ų | 124 | 49% | 0.491 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -60.4 | -45.6 | 176.5 | -55 | 0 | 0 | 0 | 0 | 110.9 | N475 D476 K482 I483 | N475-T479 PolarHBondContact O-N 3.34Å; N475-T479 PolarHBondContact O-OG1 3.43Å; N475-T479 VanDerWaalsContact O-OG1 3.13Å; D476-T479 PolarHBondContact O-N 3.28Å; T479-K482 PolarHBondContact O-N 3.06Å; T479-I483 HydrophobicContact CG2-CD1 3.91Å; T479-I483 WeakPolarHBondContact O-CG1 3.48Å; T479-I483 PolarHBondContact O-N 3.3Å |
| 480 | M | 66.6 | Low | 68.1 | Low | 106 Ų | 106 | 118.7 Ų | 118.7 | 52% | 0.522 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -63.5 | -45.5 | 179.7 | -170.4 | 170.7 | -69.4 | 0 | 0 | 112.7 | D476 K482 I483 L484 | D476-M480 WeakPolarHBondContact O-CB 3.48Å; D476-M480 PolarHBondContact O-N 2.78Å; M480-K482 VanDerWaalsContact C-N 3.3Å; M480-K482 PolarHBondContact O-N 3.47Å; M480-I483 PolarHBondContact O-N 3.25Å; M480-L484 HydrophobicContact CG-CD1 4.38Å; M480-L484 WeakPolarHBondContact O-CG 3.47Å; M480-L484 PolarHBondContact O-N 3.08Å |
| 481 | N | 78 | Confident | 70.3 | Confident | 104 Ų | 104 | 117.3 Ų | 117.3 | 56% | 0.556 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.1 | -36.1 | 175.3 | -81.3 | -68.9 | 0 | 0 | 0 | 112.4 | M477 L484 Y485 | M477-N481 PolarHBondContact O-N 2.78Å; M477-N481 PolarHBondContact O-ND2 3.05Å; N481-L484 PolarHBondContact O-N 3.4Å; N481-Y485 PolarHBondContact O-N 3.17Å; N481-Y485 VanDerWaalsContact O-N 3.1Å |
| 482 | K | 81.6 | Confident | 72.3 | Confident | 136 Ų | 136 | 114.1 Ų | 114.1 | 59% | 0.591 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -67.7 | -43.2 | 176.2 | -168.3 | 179.3 | 176.8 | -164.2 | 0 | 111.9 | K478 T479 M480 L484 Y485 E486 | K478-K482 PolarHBondContact O-N 3Å; K478-K482 VanDerWaalsContact O-N 3.08Å; T479-K482 PolarHBondContact O-N 3.06Å; M480-K482 VanDerWaalsContact C-N 3.3Å; M480-K482 PolarHBondContact O-N 3.47Å; K482-L484 VanDerWaalsContact C-N 3.35Å; K482-L484 PolarHBondContact O-N 3.36Å; K482-Y485 PolarHBondContact O-N 2.94Å; K482-E486 WeakPolarHBondContact CE-OE1 3.34Å; K482-E486 IonicContact NZ-OE1 3.15Å; K482-E486 PolarHBondContact O-N 2.76Å |
| 483 | I | 75 | Confident | 74 | Confident | 104 Ų | 104 | 115.4 Ų | 115.4 | 53% | 0.533 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.8 | -43.1 | 175.2 | -69.7 | 166.5 | 0 | 0 | 0 | 110.9 | T479 M480 Y485 E486 F487 | T479-I483 HydrophobicContact CG2-CD1 3.91Å; T479-I483 WeakPolarHBondContact O-CG1 3.48Å; T479-I483 PolarHBondContact O-N 3.3Å; M480-I483 PolarHBondContact O-N 3.25Å; I483-Y485 PolarHBondContact O-N 3.14Å; I483-E486 PolarHBondContact O-N 2.93Å; I483-F487 VanDerWaalsContact O-CB 3.24Å; I483-F487 WeakPolarHBondContact O-CB 3.33Å; I483-F487 PolarHBondContact O-N 3.29Å |
| 484 | L | 77.6 | Confident | 75.7 | Confident | 91 Ų | 91 | 116.4 Ų | 116.4 | 48% | 0.476 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 177.1 | -72.5 | 168.5 | 0 | 0 | 0 | 112.1 | M480 N481 K482 F487 D488 | M480-L484 HydrophobicContact CG-CD1 4.38Å; M480-L484 WeakPolarHBondContact O-CG 3.47Å; M480-L484 PolarHBondContact O-N 3.08Å; N481-L484 PolarHBondContact O-N 3.4Å; K482-L484 VanDerWaalsContact C-N 3.35Å; K482-L484 PolarHBondContact O-N 3.36Å; L484-F487 PolarHBondContact O-N 3.28Å; L484-D488 PolarHBondContact O-N 3.44Å |
| 485 | Y | 84.5 | Confident | 77.2 | Confident | 155 Ų | 155 | 114 Ų | 114 | 61% | 0.608 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.2 | -40.8 | 177.3 | -177.7 | -103.3 | 0 | 0 | 0 | 113.2 | N481 K482 I483 Q489 | N481-Y485 PolarHBondContact O-N 3.17Å; N481-Y485 VanDerWaalsContact O-N 3.1Å; K482-Y485 PolarHBondContact O-N 2.94Å; I483-Y485 PolarHBondContact O-N 3.14Å; Y485-Q489 PolarHBondContact O-N 3.34Å; Y485-Q489 VanDerWaalsContact O-N 3.11Å |
| 486 | E | 84.7 | Confident | 78.8 | Confident | 104 Ų | 104 | 115.8 Ų | 115.8 | 49% | 0.486 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.6 | -37.6 | 173.9 | -73.4 | 176.7 | -172.9 | 0 | 0 | 111.4 | K482 I483 Q489 E490 | K482-E486 WeakPolarHBondContact CE-OE1 3.34Å; K482-E486 IonicContact NZ-OE1 3.15Å; K482-E486 PolarHBondContact O-N 2.76Å; I483-E486 PolarHBondContact O-N 2.93Å; E486-Q489 PolarHBondContact O-N 2.91Å; E486-E490 WeakPolarHBondContact O-CB 3.38Å; E486-E490 PolarHBondContact O-N 2.92Å |
| 487 | F | 82.9 | Confident | 80.1 | Confident | 122 Ų | 122 | 115.1 Ų | 115.1 | 54% | 0.535 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.8 | -42.8 | 174.9 | -178.9 | -98.9 | 0 | 0 | 0 | 112.6 | I483 L484 E490 K491 | I483-F487 VanDerWaalsContact O-CB 3.24Å; I483-F487 WeakPolarHBondContact O-CB 3.33Å; I483-F487 PolarHBondContact O-N 3.29Å; L484-F487 PolarHBondContact O-N 3.28Å; F487-E490 PolarHBondContact O-N 3.44Å; F487-K491 HydrophobicContact CE1-CD 4.24Å; F487-K491 WeakPolarHBondContact O-CB 3.25Å; F487-K491 PolarHBondContact O-N 3.37Å |
| 488 | D | 81.3 | Confident | 81.1 | Confident | 95 Ų | 95 | 115.4 Ų | 115.4 | 51% | 0.508 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -69.7 | -35.8 | 177.6 | -78.9 | -26.6 | 0 | 0 | 0 | 112.8 | L484 S492 | L484-D488 PolarHBondContact O-N 3.44Å; D488-S492 PolarHBondContact O-N 2.9Å; D488-S492 VanDerWaalsContact O-N 3.07Å; D488-S492 PolarHBondContact O-OG 3.27Å |
| 489 | Q | 85.4 | Confident | 81.8 | Confident | 103 Ų | 103 | 113.8 Ų | 113.8 | 48% | 0.481 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.5 | -44.3 | 168.6 | -89.9 | -161.2 | 80.7 | 0 | 0 | 111.8 | Y485 E486 K491 S492 R493 | Y485-Q489 PolarHBondContact O-N 3.34Å; Y485-Q489 VanDerWaalsContact O-N 3.11Å; E486-Q489 PolarHBondContact O-N 2.91Å; Q489-K491 VanDerWaalsContact C-N 3.31Å; Q489-K491 PolarHBondContact O-N 3.43Å; Q489-S492 WeakPolarHBondContact O-CB 3.48Å; Q489-S492 PolarHBondContact O-N 3.33Å; Q489-R493 PolarHBondContact O-N 2.98Å |
| 490 | E | 83.6 | Confident | 82.8 | Confident | 71 Ų | 71 | 115.2 Ų | 115.2 | 33% | 0.332 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.1 | -42.7 | 178.1 | -174.3 | 57.2 | -159.7 | 0 | 0 | 111.5 | E486 F487 S492 R493 R494 | E486-E490 WeakPolarHBondContact O-CB 3.38Å; E486-E490 PolarHBondContact O-N 2.92Å; F487-E490 PolarHBondContact O-N 3.44Å; E490-S492 VanDerWaalsContact C-N 3.32Å; E490-S492 PolarHBondContact O-N 3.14Å; E490-R493 PolarHBondContact O-N 3.33Å; E490-R493 IonicContact OE1-NH2 2.67Å; E490-R493 IonicContact OE2-CZ 2.71Å; E490-R493 VanDerWaalsContact OE2-CZ 3.31Å; E490-R493 IonicContact OE2-NE 3.05Å; E490-R493 PolarHBondContact OE2-NE 3.45Å; E490-R493 VanDerWaalsContact OE2-NE 3.17Å; E490-R493 IonicContact OE2-NH2 2.67Å; E490-R493 PolarHBondContact OE2-NH2 3.17Å; E490-R494 WeakPolarHBondContact O-CB 3.35Å; E490-R494 PolarHBondContact O-N 2.97Å |
| 491 | K | 82 | Confident | 83.8 | Confident | 131 Ų | 131 | 113.5 Ų | 113.5 | 57% | 0.57 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -61.2 | -38.8 | 176 | -157.2 | 173.2 | -173.6 | 178.9 | 0 | 112.1 | F487 Q489 K495 | F487-K491 HydrophobicContact CE1-CD 4.24Å; F487-K491 WeakPolarHBondContact O-CB 3.25Å; F487-K491 PolarHBondContact O-N 3.37Å; Q489-K491 VanDerWaalsContact C-N 3.31Å; Q489-K491 PolarHBondContact O-N 3.43Å; K491-K495 WeakPolarHBondContact O-CB 3.43Å; K491-K495 PolarHBondContact O-N 3.39Å |
| 492 | S | 85.1 | Confident | 84.2 | Confident | 77 Ų | 77 | 113 Ų | 113 | 54% | 0.538 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.2 | -46.2 | 172.4 | -73.7 | 0 | 0 | 0 | 0 | 112.8 | D488 Q489 E490 K495 Q496 | D488-S492 PolarHBondContact O-N 2.9Å; D488-S492 VanDerWaalsContact O-N 3.07Å; D488-S492 PolarHBondContact O-OG 3.27Å; Q489-S492 WeakPolarHBondContact O-CB 3.48Å; Q489-S492 PolarHBondContact O-N 3.33Å; E490-S492 VanDerWaalsContact C-N 3.32Å; E490-S492 PolarHBondContact O-N 3.14Å; S492-K495 PolarHBondContact O-N 2.96Å; S492-Q496 PolarHBondContact O-N 3.4Å |
| 493 | R | 84.1 | Confident | 84.7 | Confident | 158 Ų | 158 | 110.6 Ų | 110.6 | 60% | 0.596 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.6 | -44.6 | 176.1 | -66.5 | -160.2 | -57.1 | 161.9 | -3.2 | 111.7 | Q489 E490 K495 Q496 S497 | Q489-R493 PolarHBondContact O-N 2.98Å; E490-R493 PolarHBondContact O-N 3.33Å; E490-R493 IonicContact OE1-NH2 2.67Å; E490-R493 IonicContact OE2-CZ 2.71Å; E490-R493 VanDerWaalsContact OE2-CZ 3.31Å; E490-R493 IonicContact OE2-NE 3.05Å; E490-R493 PolarHBondContact OE2-NE 3.45Å; E490-R493 VanDerWaalsContact OE2-NE 3.17Å; E490-R493 IonicContact OE2-NH2 2.67Å; E490-R493 PolarHBondContact OE2-NH2 3.17Å; R493-K495 VanDerWaalsContact C-N 3.34Å; R493-K495 PolarHBondContact O-N 2.93Å; R493-Q496 PolarHBondContact O-N 3.01Å; R493-S497 PolarHBondContact O-N 2.7Å |
| 494 | R | 84.9 | Confident | 85.4 | Confident | 155 Ų | 155 | 110.5 Ų | 110.5 | 59% | 0.585 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.2 | -44.3 | 179.5 | -154.8 | -179.8 | -158.1 | 109.5 | -3.6 | 111.1 | E490 S497 E498 | E490-R494 WeakPolarHBondContact O-CB 3.35Å; E490-R494 PolarHBondContact O-N 2.97Å; R494-S497 PolarHBondContact O-N 3.28Å; R494-E498 WeakPolarHBondContact O-CG 3.37Å; R494-E498 PolarHBondContact O-N 3.49Å |
| 495 | K | 85.4 | Confident | 86.1 | Confident | 146 Ų | 146 | 109.4 Ų | 109.4 | 64% | 0.635 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.8 | -39.2 | 176.4 | -168.1 | 176.7 | -176.8 | -177.7 | 0 | 113.1 | K491 S492 R493 E498 Q499 | K491-K495 WeakPolarHBondContact O-CB 3.43Å; K491-K495 PolarHBondContact O-N 3.39Å; S492-K495 PolarHBondContact O-N 2.96Å; R493-K495 VanDerWaalsContact C-N 3.34Å; R493-K495 PolarHBondContact O-N 2.93Å; K495-E498 PolarHBondContact O-N 2.94Å; K495-Q499 WeakPolarHBondContact O-CB 3.39Å; K495-Q499 PolarHBondContact O-N 2.99Å |
| 496 | Q | 88.6 | Confident | 86.2 | Confident | 146 Ų | 146 | 104.8 Ų | 104.8 | 68% | 0.682 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.9 | -42.2 | 172 | -80.1 | -175.5 | -26.2 | 0 | 0 | 111.9 | S492 R493 Q499 L500 | S492-Q496 PolarHBondContact O-N 3.4Å; R493-Q496 PolarHBondContact O-N 3.01Å; Q496-Q499 PolarHBondContact O-N 3.48Å; Q496-L500 PolarHBondContact O-N 3.32Å |
| 497 | S | 82.6 | Confident | 86.6 | Confident | 71 Ų | 71 | 106.8 Ų | 106.8 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.9 | -41 | 176.7 | -165.5 | 0 | 0 | 0 | 0 | 112.1 | R493 R494 L500 C501 | R493-S497 PolarHBondContact O-N 2.7Å; R494-S497 PolarHBondContact O-N 3.28Å; S497-L500 PolarHBondContact O-N 3.04Å; S497-C501 WeakPolarHBondContact O-CB 3.45Å; S497-C501 PolarHBondContact O-N 3.27Å; S497-C501 PolarHBondContact O-SG 3.33Å |
| 498 | E | 85.4 | Confident | 87 | Confident | 122 Ų | 122 | 105.3 Ų | 105.3 | 57% | 0.57 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.3 | -43.6 | 174.4 | -78 | 172.9 | 166.5 | 0 | 0 | 111.6 | R494 K495 L500 C501 Q502 | R494-E498 WeakPolarHBondContact O-CG 3.37Å; R494-E498 PolarHBondContact O-N 3.49Å; K495-E498 PolarHBondContact O-N 2.94Å; E498-L500 PolarHBondContact O-N 3.46Å; E498-C501 PolarHBondContact O-N 3.28Å; E498-Q502 VanDerWaalsContact O-CB 3.29Å; E498-Q502 WeakPolarHBondContact O-CB 3.44Å; E498-Q502 PolarHBondContact O-N 3.06Å |
| 499 | Q | 88.7 | Confident | 87.3 | Confident | 113 Ų | 113 | 106.6 Ų | 106.6 | 53% | 0.528 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.9 | -47.7 | 175.1 | -168.5 | 72.6 | 50.6 | 0 | 0 | 111.4 | K495 Q496 Q502 D503 | K495-Q499 WeakPolarHBondContact O-CB 3.39Å; K495-Q499 PolarHBondContact O-N 2.99Å; Q496-Q499 PolarHBondContact O-N 3.48Å; Q499-Q502 WeakPolarHBondContact O-CB 3.38Å; Q499-Q502 PolarHBondContact O-N 3.39Å; Q499-Q502 VanDerWaalsContact O-N 3.17Å; Q499-D503 VanDerWaalsContact O-CG 3.3Å; Q499-D503 PolarHBondContact O-N 3.38Å |
| 500 | L | 90.1 | Very high | 87.5 | Confident | 110 Ų | 110 | 106.8 Ų | 106.8 | 58% | 0.576 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.7 | -39.9 | -179.6 | -131.2 | 165.2 | 0 | 0 | 0 | 112.1 | Q496 S497 E498 L504 | Q496-L500 PolarHBondContact O-N 3.32Å; S497-L500 PolarHBondContact O-N 3.04Å; E498-L500 PolarHBondContact O-N 3.46Å; L500-L504 HydrophobicContact CD2-CD1 4.27Å; L500-L504 WeakPolarHBondContact O-CG 3.49Å; L500-L504 PolarHBondContact O-N 3.01Å |
| 501 | C | 88.1 | Confident | 87.7 | Confident | 69 Ų | 69 | 108.1 Ų | 108.1 | 47% | 0.466 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.2 | -39.8 | 171.7 | -71.9 | 0 | 0 | 0 | 0 | 111.9 | S497 E498 L504 V505 | S497-C501 WeakPolarHBondContact O-CB 3.45Å; S497-C501 PolarHBondContact O-N 3.27Å; S497-C501 PolarHBondContact O-SG 3.33Å; E498-C501 PolarHBondContact O-N 3.28Å; C501-L504 PolarHBondContact O-N 2.97Å; C501-V505 WeakPolarHBondContact O-CB 3.4Å; C501-V505 VanDerWaalsContact O-CG2 3.3Å; C501-V505 WeakPolarHBondContact O-CG2 3.48Å; C501-V505 PolarHBondContact O-N 2.73Å |
| 502 | Q | 87.1 | Confident | 88 | Confident | 95 Ų | 95 | 107.3 Ų | 107.3 | 44% | 0.444 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.3 | -40.1 | 178.8 | -172 | 58.2 | 70.3 | 0 | 0 | 112 | E498 Q499 V505 N506 | E498-Q502 VanDerWaalsContact O-CB 3.29Å; E498-Q502 WeakPolarHBondContact O-CB 3.44Å; E498-Q502 PolarHBondContact O-N 3.06Å; Q499-Q502 WeakPolarHBondContact O-CB 3.38Å; Q499-Q502 PolarHBondContact O-N 3.39Å; Q499-Q502 VanDerWaalsContact O-N 3.17Å; Q502-V505 PolarHBondContact O-N 3.17Å; Q502-N506 PolarHBondContact NE2-OD1 3.33Å; Q502-N506 WeakPolarHBondContact O-CB 3.47Å; Q502-N506 PolarHBondContact O-N 2.98Å; Q502-N506 PolarHBondContact O-ND2 2.94Å |
| 503 | D | 91.3 | Very high | 88.1 | Confident | 84 Ų | 84 | 108.5 Ų | 108.5 | 45% | 0.449 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.8 | -41.8 | 175.4 | -66.8 | -20.7 | 0 | 0 | 0 | 111.3 | Q499 N506 R507 | Q499-D503 VanDerWaalsContact O-CG 3.3Å; Q499-D503 PolarHBondContact O-N 3.38Å; D503-N506 PolarHBondContact O-N 3.33Å; D503-R507 WeakPolarHBondContact O-CB 3.31Å; D503-R507 PolarHBondContact O-N 3.44Å |
| 504 | L | 90.2 | Very high | 88.2 | Confident | 102 Ų | 102 | 103.9 Ų | 103.9 | 53% | 0.534 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 173.1 | -75.7 | 168.8 | 0 | 0 | 0 | 112.5 | L500 C501 N506 R507 I508 | L500-L504 HydrophobicContact CD2-CD1 4.27Å; L500-L504 WeakPolarHBondContact O-CG 3.49Å; L500-L504 PolarHBondContact O-N 3.01Å; C501-L504 PolarHBondContact O-N 2.97Å; L504-N506 VanDerWaalsContact C-N 3.33Å; L504-N506 PolarHBondContact O-N 3.29Å; L504-R507 PolarHBondContact O-N 3.44Å; L504-I508 WeakPolarHBondContact O-CG1 3.18Å; L504-I508 PolarHBondContact O-N 3.15Å |
| 505 | V | 91.4 | Very high | 88.3 | Confident | 68 Ų | 68 | 99.1 Ų | 99.1 | 41% | 0.412 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.8 | -41 | 176.2 | 165 | 0 | 0 | 0 | 0 | 111.3 | C501 Q502 I508 R509 | C501-V505 WeakPolarHBondContact O-CB 3.4Å; C501-V505 VanDerWaalsContact O-CG2 3.3Å; C501-V505 WeakPolarHBondContact O-CG2 3.48Å; C501-V505 PolarHBondContact O-N 2.73Å; Q502-V505 PolarHBondContact O-N 3.17Å; V505-I508 PolarHBondContact O-N 2.97Å; V505-R509 PolarHBondContact O-N 2.82Å; V505-R509 VanDerWaalsContact O-N 3.08Å |
| 506 | N | 87.8 | Confident | 88.3 | Confident | 59 Ų | 59 | 96.4 Ų | 96.4 | 32% | 0.316 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.3 | -41.9 | 175.6 | -69.1 | -23 | 0 | 0 | 0 | 111.1 | Q502 D503 L504 R509 E510 | Q502-N506 PolarHBondContact NE2-OD1 3.33Å; Q502-N506 WeakPolarHBondContact O-CB 3.47Å; Q502-N506 PolarHBondContact O-N 2.98Å; Q502-N506 PolarHBondContact O-ND2 2.94Å; D503-N506 PolarHBondContact O-N 3.33Å; L504-N506 VanDerWaalsContact C-N 3.33Å; L504-N506 PolarHBondContact O-N 3.29Å; N506-R509 PolarHBondContact O-N 3.03Å; N506-R509 PolarHBondContact OD1-NH1 2.9Å; N506-E510 PolarHBondContact O-N 2.9Å |
| 507 | R | 93.6 | Very high | 88 | Confident | 145 Ų | 145 | 93.7 Ų | 93.7 | 55% | 0.547 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.2 | -35.5 | 178.5 | -171.3 | 55.5 | 174.5 | 157.4 | 3.6 | 113.5 | D503 L504 E510 L511 | D503-R507 WeakPolarHBondContact O-CB 3.31Å; D503-R507 PolarHBondContact O-N 3.44Å; L504-R507 PolarHBondContact O-N 3.44Å; R507-E510 VanDerWaalsContact CD-OE2 3.25Å; R507-E510 WeakPolarHBondContact CD-OE2 3.41Å; R507-E510 IonicContact CZ-OE2 2.65Å; R507-E510 IonicContact NE-OE2 3.87Å; R507-E510 IonicContact NH1-OE2 3.19Å; R507-E510 PolarHBondContact NH1-OE2 2.98Å; R507-L511 WeakPolarHBondContact O-CG 3.44Å; R507-L511 PolarHBondContact O-N 2.66Å |
| 508 | I | 90.5 | Very high | 87.9 | Confident | 91 Ų | 91 | 96.7 Ų | 96.7 | 47% | 0.467 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.3 | -46.8 | 171.8 | -69.7 | 165.1 | 0 | 0 | 0 | 109.9 | L504 V505 E510 L511 E512 | L504-I508 WeakPolarHBondContact O-CG1 3.18Å; L504-I508 PolarHBondContact O-N 3.15Å; V505-I508 PolarHBondContact O-N 2.97Å; I508-E510 VanDerWaalsContact C-N 3.3Å; I508-E510 PolarHBondContact O-N 3.11Å; I508-L511 WeakPolarHBondContact O-CB 3.29Å; I508-L511 PolarHBondContact O-N 3Å; I508-E512 HydrophobicContact CG2-CG 4.27Å; I508-E512 WeakPolarHBondContact O-CG 3.48Å; I508-E512 PolarHBondContact O-N 2.86Å |
| 509 | R | 88.3 | Confident | 87.9 | Confident | 123 Ų | 123 | 97.2 Ų | 97.2 | 46% | 0.464 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.1 | -35.5 | 180 | -161.1 | -174.7 | -63.3 | 122.4 | -1.1 | 113 | V505 N506 L513 | V505-R509 PolarHBondContact O-N 2.82Å; V505-R509 VanDerWaalsContact O-N 3.08Å; N506-R509 PolarHBondContact O-N 3.03Å; N506-R509 PolarHBondContact OD1-NH1 2.9Å; R509-L513 WeakPolarHBondContact O-CG 3.08Å; R509-L513 PolarHBondContact O-N 3.4Å; R509-L513 VanDerWaalsContact O-N 3.08Å |
| 510 | E | 88.6 | Confident | 87.6 | Confident | 106 Ų | 106 | 97.5 Ų | 97.5 | 50% | 0.495 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 171.5 | -72.6 | 177.9 | 169.2 | 0 | 0 | 112.7 | N506 R507 I508 S514 | N506-E510 PolarHBondContact O-N 2.9Å; R507-E510 VanDerWaalsContact CD-OE2 3.25Å; R507-E510 WeakPolarHBondContact CD-OE2 3.41Å; R507-E510 IonicContact CZ-OE2 2.65Å; R507-E510 IonicContact NE-OE2 3.87Å; R507-E510 IonicContact NH1-OE2 3.19Å; R507-E510 PolarHBondContact NH1-OE2 2.98Å; I508-E510 VanDerWaalsContact C-N 3.3Å; I508-E510 PolarHBondContact O-N 3.11Å; E510-S514 WeakPolarHBondContact O-CB 3.45Å; E510-S514 PolarHBondContact O-N 3.02Å |
| 511 | L | 88.7 | Confident | 87.2 | Confident | 100 Ų | 100 | 94.8 Ų | 94.8 | 52% | 0.524 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.7 | -38.3 | 178.7 | -68.8 | 169.9 | 0 | 0 | 0 | 111.7 | R507 I508 S514 A515 | R507-L511 WeakPolarHBondContact O-CG 3.44Å; R507-L511 PolarHBondContact O-N 2.66Å; I508-L511 WeakPolarHBondContact O-CB 3.29Å; I508-L511 PolarHBondContact O-N 3Å; L511-S514 PolarHBondContact O-N 3.33Å; L511-A515 WeakPolarHBondContact O-CB 3.33Å; L511-A515 PolarHBondContact O-N 3.5Å |
| 512 | E | 88.8 | Confident | 87.3 | Confident | 114 Ų | 114 | 96.6 Ų | 96.6 | 53% | 0.533 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.5 | -46.2 | 173.5 | -70.6 | 173.6 | 155.6 | 0 | 0 | 111.7 | I508 A515 I516 | I508-E512 HydrophobicContact CG2-CG 4.27Å; I508-E512 WeakPolarHBondContact O-CG 3.48Å; I508-E512 PolarHBondContact O-N 2.86Å; E512-A515 PolarHBondContact O-N 2.97Å; E512-I516 WeakPolarHBondContact O-CG1 3.48Å; E512-I516 PolarHBondContact O-N 2.69Å |
| 513 | L | 86.8 | Confident | 87.3 | Confident | 102 Ų | 102 | 98 Ų | 98 | 53% | 0.534 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.7 | -45.3 | 174.7 | -76.8 | 165.9 | 0 | 0 | 0 | 111.8 | R509 A515 I516 D517 | R509-L513 WeakPolarHBondContact O-CG 3.08Å; R509-L513 PolarHBondContact O-N 3.4Å; R509-L513 VanDerWaalsContact O-N 3.08Å; L513-A515 VanDerWaalsContact C-N 3.32Å; L513-A515 PolarHBondContact O-N 3.43Å; L513-I516 PolarHBondContact O-N 3.41Å; L513-D517 PolarHBondContact O-N 2.88Å; L513-D517 VanDerWaalsContact O-N 3.1Å |
| 514 | S | 86.4 | Confident | 87.1 | Confident | 61 Ų | 61 | 98 Ų | 98 | 43% | 0.427 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.8 | -39.1 | 176.4 | -173.5 | 0 | 0 | 0 | 0 | 112.6 | E510 L511 D517 Q518 | E510-S514 WeakPolarHBondContact O-CB 3.45Å; E510-S514 PolarHBondContact O-N 3.02Å; L511-S514 PolarHBondContact O-N 3.33Å; S514-D517 PolarHBondContact O-N 2.92Å; S514-Q518 WeakPolarHBondContact O-CG 3.47Å; S514-Q518 PolarHBondContact O-N 3.29Å |
| 515 | A | 87.1 | Confident | 87 | Confident | 54 Ų | 54 | 97.6 Ų | 97.6 | 45% | 0.446 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.6 | -38.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L511 E512 L513 Q518 H519 | L511-A515 WeakPolarHBondContact O-CB 3.33Å; L511-A515 PolarHBondContact O-N 3.5Å; E512-A515 PolarHBondContact O-N 2.97Å; L513-A515 VanDerWaalsContact C-N 3.32Å; L513-A515 PolarHBondContact O-N 3.43Å; A515-Q518 PolarHBondContact O-N 2.99Å; A515-H519 PolarHBondContact O-N 3.33Å |
| 516 | I | 84.4 | Confident | 86.8 | Confident | 90 Ų | 90 | 98.8 Ų | 98.8 | 46% | 0.462 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 174.4 | -71.2 | 165 | 0 | 0 | 0 | 110.6 | E512 L513 H519 K520 | E512-I516 WeakPolarHBondContact O-CG1 3.48Å; E512-I516 PolarHBondContact O-N 2.69Å; L513-I516 PolarHBondContact O-N 3.41Å; I516-H519 PolarHBondContact O-N 2.93Å; I516-K520 HydrophobicContact CG2-CD 4.49Å; I516-K520 WeakPolarHBondContact O-CG 3.29Å; I516-K520 PolarHBondContact O-N 3.36Å |
| 517 | D | 82.6 | Confident | 86.9 | Confident | 88 Ų | 88 | 100.8 Ų | 100.8 | 47% | 0.471 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -72.1 | -33.8 | -179.8 | -71 | -21.7 | 0 | 0 | 0 | 112.6 | L513 S514 K520 A521 | L513-D517 PolarHBondContact O-N 2.88Å; L513-D517 VanDerWaalsContact O-N 3.1Å; S514-D517 PolarHBondContact O-N 2.92Å; D517-K520 PolarHBondContact O-N 3.3Å; D517-K520 IonicContact OD1-NZ 2.8Å; D517-K520 PolarHBondContact OD1-NZ 3.49Å; D517-A521 WeakPolarHBondContact O-CB 3.13Å; D517-A521 PolarHBondContact O-N 3.23Å |
| 518 | Q | 80.2 | Confident | 86.6 | Confident | 135 Ų | 135 | 98.8 Ų | 98.8 | 63% | 0.631 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.1 | -42.4 | 167.9 | -75.4 | -178.3 | 1 | 0 | 0 | 112.1 | S514 A515 A521 L522 | S514-Q518 WeakPolarHBondContact O-CG 3.47Å; S514-Q518 PolarHBondContact O-N 3.29Å; A515-Q518 PolarHBondContact O-N 2.99Å; Q518-A521 PolarHBondContact O-N 2.9Å; Q518-L522 WeakPolarHBondContact O-CB 3.36Å; Q518-L522 PolarHBondContact O-N 3.3Å |
| 519 | H | 84.7 | Confident | 86.6 | Confident | 133 Ų | 133 | 100.3 Ų | 100.3 | 62% | 0.616 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.7 | -40.6 | 178.1 | -174.3 | 62.8 | 0 | 0 | 0 | 112.3 | A515 I516 L522 K523 | A515-H519 PolarHBondContact O-N 3.33Å; I516-H519 PolarHBondContact O-N 2.93Å; H519-L522 PolarHBondContact O-N 3.31Å; H519-K523 PolarHBondContact O-N 2.97Å |
| 520 | K | 84.1 | Confident | 86.6 | Confident | 118 Ų | 118 | 100.9 Ų | 100.9 | 51% | 0.513 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.6 | -47.2 | 172.1 | -68.8 | 171.2 | -166.5 | 156.2 | 0 | 111.5 | I516 D517 L522 K523 V524 | I516-K520 HydrophobicContact CG2-CD 4.49Å; I516-K520 WeakPolarHBondContact O-CG 3.29Å; I516-K520 PolarHBondContact O-N 3.36Å; D517-K520 PolarHBondContact O-N 3.3Å; D517-K520 IonicContact OD1-NZ 2.8Å; D517-K520 PolarHBondContact OD1-NZ 3.49Å; K520-L522 VanDerWaalsContact C-N 3.32Å; K520-L522 PolarHBondContact O-N 2.92Å; K520-K523 PolarHBondContact O-N 3.5Å; K520-V524 WeakPolarHBondContact O-CG2 3.34Å; K520-V524 PolarHBondContact O-N 3.39Å |
| 521 | A | 81.7 | Confident | 86.5 | Confident | 53 Ų | 53 | 98.4 Ų | 98.4 | 44% | 0.438 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.7 | -39.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | D517 Q518 V524 T525 | D517-A521 WeakPolarHBondContact O-CB 3.13Å; D517-A521 PolarHBondContact O-N 3.23Å; Q518-A521 PolarHBondContact O-N 2.9Å; A521-V524 PolarHBondContact O-N 3.49Å; A521-T525 WeakPolarHBondContact O-CB 2.99Å; A521-T525 PolarHBondContact O-N 3.35Å; A521-T525 PolarHBondContact O-OG1 2.94Å |
| 522 | L | 88.2 | Confident | 86.6 | Confident | 108 Ų | 108 | 99.8 Ų | 99.8 | 57% | 0.565 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.6 | -42.6 | 177.8 | -158.4 | 129.6 | 0 | 0 | 0 | 111.6 | Q518 H519 K520 T525 E526 | Q518-L522 WeakPolarHBondContact O-CB 3.36Å; Q518-L522 PolarHBondContact O-N 3.3Å; H519-L522 PolarHBondContact O-N 3.31Å; K520-L522 VanDerWaalsContact C-N 3.32Å; K520-L522 PolarHBondContact O-N 2.92Å; L522-T525 WeakPolarHBondContact O-CB 3.48Å; L522-T525 PolarHBondContact O-N 3.26Å; L522-T525 VanDerWaalsContact O-N 3.15Å; L522-E526 PolarHBondContact O-N 3.29Å |
| 523 | K | 87.5 | Confident | 86.6 | Confident | 123 Ų | 123 | 97.9 Ų | 97.9 | 54% | 0.535 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.3 | -47 | 174.1 | -176.8 | 176.3 | 172.1 | -176.9 | 0 | 112.3 | H519 K520 T525 E526 E527 | H519-K523 PolarHBondContact O-N 2.97Å; K520-K523 PolarHBondContact O-N 3.5Å; K523-T525 PolarHBondContact O-N 2.94Å; K523-E526 PolarHBondContact O-N 2.84Å; K523-E526 VanDerWaalsContact O-N 3.17Å; K523-E527 WeakPolarHBondContact CE-OE1 3.49Å; K523-E527 IonicContact NZ-OE1 2.61Å; K523-E527 WeakPolarHBondContact O-CG 3.36Å; K523-E527 PolarHBondContact O-N 2.92Å |
| 524 | V | 88.5 | Confident | 86.6 | Confident | 86 Ų | 86 | 96.1 Ų | 96.1 | 52% | 0.521 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.4 | -37 | 174.8 | 171 | 0 | 0 | 0 | 0 | 111.1 | K520 A521 E527 L528 | K520-V524 WeakPolarHBondContact O-CG2 3.34Å; K520-V524 PolarHBondContact O-N 3.39Å; A521-V524 PolarHBondContact O-N 3.49Å; V524-E527 PolarHBondContact O-N 3.05Å; V524-L528 WeakPolarHBondContact O-CB 3.4Å; V524-L528 PolarHBondContact O-N 3.04Å |
| 525 | T | 86.4 | Confident | 86.8 | Confident | 92 Ų | 92 | 98.5 Ų | 98.5 | 56% | 0.564 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.1 | -39.2 | 177.1 | -53.3 | 0 | 0 | 0 | 0 | 112.1 | A521 L522 K523 K529 | A521-T525 WeakPolarHBondContact O-CB 2.99Å; A521-T525 PolarHBondContact O-N 3.35Å; A521-T525 PolarHBondContact O-OG1 2.94Å; L522-T525 WeakPolarHBondContact O-CB 3.48Å; L522-T525 PolarHBondContact O-N 3.26Å; L522-T525 VanDerWaalsContact O-N 3.15Å; K523-T525 PolarHBondContact O-N 2.94Å; T525-K529 VanDerWaalsContact O-CB 3.27Å; T525-K529 WeakPolarHBondContact O-CB 3.29Å; T525-K529 PolarHBondContact O-N 3.39Å |
| 526 | E | 88.4 | Confident | 87 | Confident | 94 Ų | 94 | 101.9 Ų | 101.9 | 44% | 0.439 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.7 | -43.1 | 176.1 | -145 | 77.2 | -124.2 | 0 | 0 | 111.5 | L522 K523 K529 Q530 | L522-E526 PolarHBondContact O-N 3.29Å; K523-E526 PolarHBondContact O-N 2.84Å; K523-E526 VanDerWaalsContact O-N 3.17Å; E526-K529 PolarHBondContact O-N 3.33Å; E526-K529 IonicContact OE1-NZ 2.66Å; E526-K529 PolarHBondContact OE1-NZ 3.49Å; E526-Q530 WeakPolarHBondContact O-CB 3.41Å; E526-Q530 PolarHBondContact O-N 3.38Å |
| 527 | E | 89.7 | Confident | 87.3 | Confident | 100 Ų | 100 | 104 Ų | 104 | 47% | 0.467 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61 | -44.2 | 174.4 | -72.1 | 172.7 | 177.2 | 0 | 0 | 111.5 | K523 V524 K529 Q530 A531 | K523-E527 WeakPolarHBondContact CE-OE1 3.49Å; K523-E527 IonicContact NZ-OE1 2.61Å; K523-E527 WeakPolarHBondContact O-CG 3.36Å; K523-E527 PolarHBondContact O-N 2.92Å; V524-E527 PolarHBondContact O-N 3.05Å; E527-K529 PolarHBondContact O-N 2.93Å; E527-Q530 PolarHBondContact O-N 3.37Å; E527-A531 PolarHBondContact O-N 3.34Å |
| 528 | L | 87.3 | Confident | 87.6 | Confident | 103 Ų | 103 | 106 Ų | 106 | 54% | 0.539 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.8 | -43 | 176.7 | -150.8 | 84.3 | 0 | 0 | 0 | 111.8 | V524 Q530 A531 F532 | V524-L528 WeakPolarHBondContact O-CB 3.4Å; V524-L528 PolarHBondContact O-N 3.04Å; L528-Q530 VanDerWaalsContact C-N 3.33Å; L528-Q530 PolarHBondContact O-N 3.36Å; L528-A531 PolarHBondContact O-N 3.38Å; L528-F532 HydrophobicContact CD2-CD2 4.47Å; L528-F532 HydrophobicContact CD2-CE2 3.94Å; L528-F532 HydrophobicContact CG-CD2 4.29Å; L528-F532 HydrophobicContact CG-CE2 4.09Å; L528-F532 VanDerWaalsContact O-CD2 3.27Å; L528-F532 WeakPolarHBondContact O-CD2 3.46Å; L528-F532 PolarHBondContact O-N 3.02Å |
| 529 | K | 89.6 | Confident | 88.2 | Confident | 124 Ų | 124 | 105.6 Ų | 105.6 | 54% | 0.539 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.4 | -39.3 | 177 | 176.2 | -176.3 | 165.9 | -160 | 0 | 111.5 | T525 E526 E527 F532 T533 | T525-K529 VanDerWaalsContact O-CB 3.27Å; T525-K529 WeakPolarHBondContact O-CB 3.29Å; T525-K529 PolarHBondContact O-N 3.39Å; E526-K529 PolarHBondContact O-N 3.33Å; E526-K529 IonicContact OE1-NZ 2.66Å; E526-K529 PolarHBondContact OE1-NZ 3.49Å; E527-K529 PolarHBondContact O-N 2.93Å; K529-F532 PolarHBondContact O-N 3.5Å; K529-T533 PolarHBondContact O-N 3.43Å; K529-T533 VanDerWaalsContact O-N 3.13Å |
| 530 | Q | 89 | Confident | 88.4 | Confident | 135 Ų | 135 | 104.4 Ų | 104.4 | 63% | 0.631 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.5 | -44.5 | 176.2 | -155.8 | 168.1 | 18.7 | 0 | 0 | 111 | E526 E527 L528 F532 T533 T534 | E526-Q530 WeakPolarHBondContact O-CB 3.41Å; E526-Q530 PolarHBondContact O-N 3.38Å; E527-Q530 PolarHBondContact O-N 3.37Å; L528-Q530 VanDerWaalsContact C-N 3.33Å; L528-Q530 PolarHBondContact O-N 3.36Å; Q530-F532 PolarHBondContact O-N 2.81Å; Q530-T533 PolarHBondContact O-N 3.31Å; Q530-T533 VanDerWaalsContact O-N 3.1Å; Q530-T533 PolarHBondContact O-OG1 2.7Å; Q530-T534 PolarHBondContact O-N 3.39Å; Q530-T534 VanDerWaalsContact O-N 3.1Å; Q530-T534 PolarHBondContact O-OG1 2.97Å |
| 531 | A | 86.8 | Confident | 88.7 | Confident | 54 Ų | 54 | 103.7 Ų | 103.7 | 45% | 0.446 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60 | -41.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113 | E527 L528 T533 T534 E535 | E527-A531 PolarHBondContact O-N 3.34Å; L528-A531 PolarHBondContact O-N 3.38Å; A531-T533 VanDerWaalsContact C-N 3.3Å; A531-T533 PolarHBondContact O-N 3.1Å; A531-T534 WeakPolarHBondContact CA-OG1 3.42Å; A531-T534 PolarHBondContact O-N 3.1Å; A531-T534 PolarHBondContact O-OG1 2.92Å; A531-E535 WeakPolarHBondContact O-CB 3.21Å; A531-E535 PolarHBondContact O-N 3.36Å |
| 532 | F | 89.5 | Confident | 89 | Confident | 128 Ų | 128 | 104.8 Ų | 104.8 | 56% | 0.561 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.9 | -35.5 | 173.5 | -89.7 | -63 | 0 | 0 | 0 | 112.8 | L528 K529 Q530 H536 | L528-F532 HydrophobicContact CD2-CD2 4.47Å; L528-F532 HydrophobicContact CD2-CE2 3.94Å; L528-F532 HydrophobicContact CG-CD2 4.29Å; L528-F532 HydrophobicContact CG-CE2 4.09Å; L528-F532 VanDerWaalsContact O-CD2 3.27Å; L528-F532 WeakPolarHBondContact O-CD2 3.46Å; L528-F532 PolarHBondContact O-N 3.02Å; K529-F532 PolarHBondContact O-N 3.5Å; Q530-F532 PolarHBondContact O-N 2.81Å; F532-H536 VanDerWaalsContact O-CB 3.28Å; F532-H536 WeakPolarHBondContact O-CB 3.31Å; F532-H536 PolarHBondContact O-N 3.25Å |
| 533 | T | 89.5 | Confident | 89.2 | Confident | 74 Ų | 74 | 105.1 Ų | 105.1 | 45% | 0.454 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -71.5 | -35.5 | 176.8 | 54.8 | 0 | 0 | 0 | 0 | 113.2 | K529 Q530 A531 Q537 | K529-T533 PolarHBondContact O-N 3.43Å; K529-T533 VanDerWaalsContact O-N 3.13Å; Q530-T533 PolarHBondContact O-N 3.31Å; Q530-T533 VanDerWaalsContact O-N 3.1Å; Q530-T533 PolarHBondContact O-OG1 2.7Å; A531-T533 VanDerWaalsContact C-N 3.3Å; A531-T533 PolarHBondContact O-N 3.1Å; T533-Q537 WeakPolarHBondContact O-CG 3.4Å; T533-Q537 PolarHBondContact O-N 2.9Å; T533-Q537 VanDerWaalsContact O-N 3.14Å |
| 534 | T | 88.2 | Confident | 89.3 | Confident | 66 Ų | 66 | 102 Ų | 102 | 41% | 0.405 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -71 | -45.2 | 175.2 | 50.5 | 0 | 0 | 0 | 0 | 111.3 | Q530 A531 H536 Q537 E538 | Q530-T534 PolarHBondContact O-N 3.39Å; Q530-T534 VanDerWaalsContact O-N 3.1Å; Q530-T534 PolarHBondContact O-OG1 2.97Å; A531-T534 WeakPolarHBondContact CA-OG1 3.42Å; A531-T534 PolarHBondContact O-N 3.1Å; A531-T534 PolarHBondContact O-OG1 2.92Å; T534-H536 VanDerWaalsContact C-N 3.26Å; T534-H536 PolarHBondContact O-N 3.46Å; T534-Q537 PolarHBondContact O-N 3.13Å; T534-Q537 VanDerWaalsContact O-N 3.09Å; T534-E538 WeakPolarHBondContact O-CG 3.43Å; T534-E538 PolarHBondContact O-N 3.05Å |
| 535 | E | 88.7 | Confident | 89.4 | Confident | 111 Ų | 111 | 102.6 Ų | 102.6 | 52% | 0.519 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -57.1 | -40.7 | 174.6 | -169.7 | -162.4 | 154.9 | 0 | 0 | 111.3 | A531 K539 | A531-E535 WeakPolarHBondContact O-CB 3.21Å; A531-E535 PolarHBondContact O-N 3.36Å; E535-K539 WeakPolarHBondContact O-CB 3.3Å; E535-K539 PolarHBondContact O-N 3.45Å |
| 536 | H | 91.5 | Very high | 89.6 | Confident | 125 Ų | 125 | 102.3 Ų | 102.3 | 58% | 0.579 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65 | -39.9 | 176.9 | -173.3 | 71.8 | 0 | 0 | 0 | 113 | F532 T534 L540 | F532-H536 VanDerWaalsContact O-CB 3.28Å; F532-H536 WeakPolarHBondContact O-CB 3.31Å; F532-H536 PolarHBondContact O-N 3.25Å; T534-H536 VanDerWaalsContact C-N 3.26Å; T534-H536 PolarHBondContact O-N 3.46Å; H536-L540 WeakPolarHBondContact O-CB 3.29Å; H536-L540 PolarHBondContact O-N 2.95Å; H536-L540 VanDerWaalsContact O-N 3.07Å |
| 537 | Q | 90.6 | Very high | 89.8 | Confident | 135 Ų | 135 | 105.1 Ų | 105.1 | 63% | 0.631 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68 | -44.1 | 177 | -74 | 174 | -2.7 | 0 | 0 | 111.9 | T533 T534 L540 L541 | T533-Q537 WeakPolarHBondContact O-CG 3.4Å; T533-Q537 PolarHBondContact O-N 2.9Å; T533-Q537 VanDerWaalsContact O-N 3.14Å; T534-Q537 PolarHBondContact O-N 3.13Å; T534-Q537 VanDerWaalsContact O-N 3.09Å; Q537-L540 WeakPolarHBondContact O-CB 3.43Å; Q537-L540 PolarHBondContact O-N 3.31Å; Q537-L541 PolarHBondContact O-N 3.34Å |
| 538 | E | 90.7 | Very high | 89.9 | Confident | 129 Ų | 129 | 105 Ų | 105 | 60% | 0.603 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.4 | -44.1 | 175.9 | -71.2 | 173.1 | 179.8 | 0 | 0 | 111.4 | T534 L540 L541 V542 | T534-E538 WeakPolarHBondContact O-CG 3.43Å; T534-E538 PolarHBondContact O-N 3.05Å; E538-L540 VanDerWaalsContact C-N 3.3Å; E538-L540 PolarHBondContact O-N 2.94Å; E538-L541 WeakPolarHBondContact O-CB 3.48Å; E538-L541 PolarHBondContact O-N 2.9Å; E538-V542 WeakPolarHBondContact O-CG2 3.47Å; E538-V542 PolarHBondContact O-N 3.46Å |
| 539 | K | 91.1 | Very high | 89.9 | Confident | 127 Ų | 127 | 105.2 Ų | 105.2 | 55% | 0.552 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -59 | -39.4 | 174.3 | -179.1 | 174.5 | -179.9 | 172.9 | 0 | 112.7 | E535 V542 Q543 | E535-K539 WeakPolarHBondContact O-CB 3.3Å; E535-K539 PolarHBondContact O-N 3.45Å; K539-V542 PolarHBondContact O-N 3.42Å; K539-Q543 WeakPolarHBondContact O-CB 3.47Å; K539-Q543 PolarHBondContact O-N 3.01Å |
| 540 | L | 89.3 | Confident | 90.1 | Very high | 108 Ų | 108 | 105 Ų | 105 | 57% | 0.565 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.7 | -41 | 177.1 | -166 | 73.4 | 0 | 0 | 0 | 111.4 | H536 Q537 E538 Q543 S544 | H536-L540 WeakPolarHBondContact O-CB 3.29Å; H536-L540 PolarHBondContact O-N 2.95Å; H536-L540 VanDerWaalsContact O-N 3.07Å; Q537-L540 WeakPolarHBondContact O-CB 3.43Å; Q537-L540 PolarHBondContact O-N 3.31Å; E538-L540 VanDerWaalsContact C-N 3.3Å; E538-L540 PolarHBondContact O-N 2.94Å; L540-Q543 PolarHBondContact O-N 2.96Å; L540-S544 PolarHBondContact O-N 3.42Å |
| 541 | L | 90 | Very high | 90.2 | Very high | 102 Ų | 102 | 103.5 Ų | 103.5 | 53% | 0.534 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.2 | -48.1 | 174.2 | -176 | 66.5 | 0 | 0 | 0 | 111.3 | Q537 E538 Q543 S544 Q545 | Q537-L541 PolarHBondContact O-N 3.34Å; E538-L541 WeakPolarHBondContact O-CB 3.48Å; E538-L541 PolarHBondContact O-N 2.9Å; L541-Q543 VanDerWaalsContact C-N 3.35Å; L541-Q543 PolarHBondContact O-N 3.26Å; L541-S544 WeakPolarHBondContact O-CB 3.4Å; L541-S544 PolarHBondContact O-N 2.87Å; L541-S544 VanDerWaalsContact O-N 3.1Å; L541-S544 PolarHBondContact O-OG 3.3Å; L541-Q545 PolarHBondContact O-N 3.49Å |
| 542 | V | 88.2 | Confident | 90.5 | Very high | 76 Ų | 76 | 107.4 Ų | 107.4 | 46% | 0.461 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.7 | -40.6 | 177.1 | 173.1 | 0 | 0 | 0 | 0 | 111.4 | E538 K539 S544 Q545 L546 | E538-V542 WeakPolarHBondContact O-CG2 3.47Å; E538-V542 PolarHBondContact O-N 3.46Å; K539-V542 PolarHBondContact O-N 3.42Å; V542-S544 VanDerWaalsContact C-N 3.32Å; V542-S544 PolarHBondContact O-N 3.13Å; V542-Q545 PolarHBondContact O-N 3.41Å; V542-L546 HydrophobicContact CG1-CD1 3.98Å; V542-L546 HydrophobicContact CG1-CG 4.3Å; V542-L546 WeakPolarHBondContact O-CB 3.27Å; V542-L546 WeakPolarHBondContact O-CG 3.16Å; V542-L546 PolarHBondContact O-N 3.27Å |
| 543 | Q | 92 | Very high | 90.7 | Very high | 116 Ų | 116 | 107.5 Ų | 107.5 | 54% | 0.542 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.5 | -39.5 | 172.9 | -85.4 | -170.1 | -48.3 | 0 | 0 | 112.6 | K539 L540 L541 K547 | K539-Q543 WeakPolarHBondContact O-CB 3.47Å; K539-Q543 PolarHBondContact O-N 3.01Å; L540-Q543 PolarHBondContact O-N 2.96Å; L541-Q543 VanDerWaalsContact C-N 3.35Å; L541-Q543 PolarHBondContact O-N 3.26Å; Q543-K547 WeakPolarHBondContact O-CB 3.39Å; Q543-K547 PolarHBondContact O-N 3.35Å; Q543-K547 VanDerWaalsContact O-N 3.09Å |
| 544 | S | 89.7 | Confident | 90.9 | Very high | 56 Ų | 56 | 108.2 Ų | 108.2 | 39% | 0.392 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.9 | -39.7 | 175.9 | 79.6 | 0 | 0 | 0 | 0 | 112.5 | L540 L541 V542 K547 I548 | L540-S544 PolarHBondContact O-N 3.42Å; L541-S544 WeakPolarHBondContact O-CB 3.4Å; L541-S544 PolarHBondContact O-N 2.87Å; L541-S544 VanDerWaalsContact O-N 3.1Å; L541-S544 PolarHBondContact O-OG 3.3Å; V542-S544 VanDerWaalsContact C-N 3.32Å; V542-S544 PolarHBondContact O-N 3.13Å; S544-K547 PolarHBondContact O-N 2.95Å; S544-I548 WeakPolarHBondContact O-CG1 3.43Å; S544-I548 PolarHBondContact O-N 3Å |
| 545 | Q | 92.1 | Very high | 91.1 | Very high | 100 Ų | 100 | 108.2 Ų | 108.2 | 47% | 0.467 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -70.5 | -42.8 | 178.6 | -70 | 178.6 | -9.7 | 0 | 0 | 111.9 | L541 V542 K547 I548 I549 | L541-Q545 PolarHBondContact O-N 3.49Å; V542-Q545 PolarHBondContact O-N 3.41Å; Q545-K547 VanDerWaalsContact C-N 3.3Å; Q545-K547 PolarHBondContact O-N 3.29Å; Q545-I548 PolarHBondContact O-N 2.83Å; Q545-I548 VanDerWaalsContact O-N 3.16Å; Q545-I549 WeakPolarHBondContact O-CG1 3.34Å; Q545-I549 PolarHBondContact O-N 3.48Å |
| 546 | L | 90 | Very high | 91.2 | Very high | 86 Ų | 86 | 108.7 Ų | 108.7 | 45% | 0.45 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -55.6 | -45.6 | 172.9 | -78.4 | 170 | 0 | 0 | 0 | 111.2 | V542 I548 I549 E550 | V542-L546 HydrophobicContact CG1-CD1 3.98Å; V542-L546 HydrophobicContact CG1-CG 4.3Å; V542-L546 WeakPolarHBondContact O-CB 3.27Å; V542-L546 WeakPolarHBondContact O-CG 3.16Å; V542-L546 PolarHBondContact O-N 3.27Å; L546-I548 VanDerWaalsContact C-N 3.29Å; L546-I548 PolarHBondContact O-N 2.95Å; L546-I549 CarbonylContact O-C 3.59Å; L546-I549 WeakPolarHBondContact O-CA 3.49Å; L546-I549 WeakPolarHBondContact O-CB 3.24Å; L546-I549 PolarHBondContact O-N 3.3Å; L546-E550 WeakPolarHBondContact O-CG 3.37Å; L546-E550 PolarHBondContact O-N 3.32Å |
| 547 | K | 92.5 | Very high | 91.2 | Very high | 152 Ų | 152 | 104.9 Ų | 104.9 | 66% | 0.661 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.4 | -33.3 | 178.8 | -159.9 | 173.3 | -172.4 | 178.2 | 0 | 113.4 | Q543 S544 Q545 Q551 | Q543-K547 WeakPolarHBondContact O-CB 3.39Å; Q543-K547 PolarHBondContact O-N 3.35Å; Q543-K547 VanDerWaalsContact O-N 3.09Å; S544-K547 PolarHBondContact O-N 2.95Å; Q545-K547 VanDerWaalsContact C-N 3.3Å; Q545-K547 PolarHBondContact O-N 3.29Å; K547-Q551 PolarHBondContact O-N 3.39Å; K547-Q551 VanDerWaalsContact O-N 3.15Å |
| 548 | I | 91.9 | Very high | 91.3 | Very high | 99 Ų | 99 | 103.6 Ų | 103.6 | 51% | 0.508 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -71.1 | -37.9 | 173.2 | -66.3 | 165.1 | 0 | 0 | 0 | 111 | S544 Q545 L546 K552 | S544-I548 WeakPolarHBondContact O-CG1 3.43Å; S544-I548 PolarHBondContact O-N 3Å; Q545-I548 PolarHBondContact O-N 2.83Å; Q545-I548 VanDerWaalsContact O-N 3.16Å; L546-I548 VanDerWaalsContact C-N 3.29Å; L546-I548 PolarHBondContact O-N 2.95Å; I548-K552 HydrophobicContact CG2-CD 4.45Å; I548-K552 WeakPolarHBondContact O-CG 3.49Å; I548-K552 PolarHBondContact O-N 2.88Å; I548-K552 VanDerWaalsContact O-N 3.08Å |
| 549 | I | 88.1 | Confident | 91.3 | Very high | 106 Ų | 106 | 102.4 Ų | 102.4 | 54% | 0.544 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69 | -42.8 | 177.3 | -66.7 | 165.1 | 0 | 0 | 0 | 110.7 | Q545 L546 Q551 K552 F553 | Q545-I549 WeakPolarHBondContact O-CG1 3.34Å; Q545-I549 PolarHBondContact O-N 3.48Å; L546-I549 CarbonylContact O-C 3.59Å; L546-I549 WeakPolarHBondContact O-CA 3.49Å; L546-I549 WeakPolarHBondContact O-CB 3.24Å; L546-I549 PolarHBondContact O-N 3.3Å; I549-Q551 VanDerWaalsContact C-N 3.34Å; I549-Q551 PolarHBondContact O-N 3.29Å; I549-K552 PolarHBondContact O-N 2.84Å; I549-F553 WeakPolarHBondContact O-CB 3.49Å; I549-F553 PolarHBondContact O-N 3.45Å |
| 550 | E | 92.1 | Very high | 91.1 | Very high | 119 Ų | 119 | 99.3 Ų | 99.3 | 56% | 0.556 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -58 | -43.6 | 173.8 | -73.4 | 171.1 | 169.4 | 0 | 0 | 111.7 | L546 F553 N554 | L546-E550 WeakPolarHBondContact O-CG 3.37Å; L546-E550 PolarHBondContact O-N 3.32Å; E550-F553 PolarHBondContact O-N 3.28Å; E550-N554 PolarHBondContact O-N 3.34Å |
| 551 | Q | 92.7 | Very high | 91.3 | Very high | 105 Ų | 105 | 98.2 Ų | 98.2 | 49% | 0.491 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.7 | -50.5 | 174.8 | -174.4 | 61.7 | 49.3 | 0 | 0 | 111.6 | K547 I549 F553 N554 D555 | K547-Q551 PolarHBondContact O-N 3.39Å; K547-Q551 VanDerWaalsContact O-N 3.15Å; I549-Q551 VanDerWaalsContact C-N 3.34Å; I549-Q551 PolarHBondContact O-N 3.29Å; Q551-F553 PolarHBondContact O-N 2.92Å; Q551-N554 WeakPolarHBondContact O-CB 3.24Å; Q551-N554 PolarHBondContact O-N 3.18Å; Q551-N554 VanDerWaalsContact O-N 3.11Å; Q551-D555 PolarHBondContact NE2-OD1 3.14Å; Q551-D555 PolarHBondContact O-N 3.39Å |
| 552 | K | 93.2 | Very high | 91.3 | Very high | 135 Ų | 135 | 99.5 Ų | 99.5 | 59% | 0.587 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.5 | -33.5 | 178.5 | -73.8 | 178.7 | 177.1 | -175.2 | 0 | 112.9 | I548 I549 M556 | I548-K552 HydrophobicContact CG2-CD 4.45Å; I548-K552 WeakPolarHBondContact O-CG 3.49Å; I548-K552 PolarHBondContact O-N 2.88Å; I548-K552 VanDerWaalsContact O-N 3.08Å; I549-K552 PolarHBondContact O-N 2.84Å; K552-M556 WeakPolarHBondContact O-CB 3.42Å; K552-M556 PolarHBondContact O-N 3.45Å |
| 553 | F | 93 | Very high | 91.3 | Very high | 131 Ų | 131 | 100.8 Ų | 100.8 | 58% | 0.575 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.8 | -46.3 | 174.3 | -178.4 | -97.2 | 0 | 0 | 0 | 111.2 | I549 E550 Q551 D555 M556 C557 | I549-F553 WeakPolarHBondContact O-CB 3.49Å; I549-F553 PolarHBondContact O-N 3.45Å; E550-F553 PolarHBondContact O-N 3.28Å; Q551-F553 PolarHBondContact O-N 2.92Å; F553-D555 PolarHBondContact O-N 2.94Å; F553-M556 PolarHBondContact O-N 3.09Å; F553-C557 PolarHBondContact O-N 2.93Å; F553-C557 PolarHBondContact O-SG 3.09Å; F553-C557 VanDerWaalsContact O-SG 3.39Å |
| 554 | N | 93.3 | Very high | 91.2 | Very high | 89 Ų | 89 | 102 Ų | 102 | 48% | 0.476 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.6 | -44.5 | 173.7 | -92.8 | -12.7 | 0 | 0 | 0 | 112.6 | E550 Q551 M556 C557 Q558 | E550-N554 PolarHBondContact O-N 3.34Å; Q551-N554 WeakPolarHBondContact O-CB 3.24Å; Q551-N554 PolarHBondContact O-N 3.18Å; Q551-N554 VanDerWaalsContact O-N 3.11Å; N554-M556 VanDerWaalsContact C-N 3.29Å; N554-M556 PolarHBondContact O-N 3.08Å; N554-C557 PolarHBondContact O-N 3.11Å; N554-Q558 WeakPolarHBondContact O-CG 3.22Å; N554-Q558 PolarHBondContact O-N 3.02Å |
| 555 | D | 92.5 | Very high | 91.4 | Very high | 65 Ų | 65 | 104 Ų | 104 | 35% | 0.348 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.6 | -41.2 | 177.7 | -58 | -23.2 | 0 | 0 | 0 | 110.7 | Q551 F553 Q558 I559 | Q551-D555 PolarHBondContact NE2-OD1 3.14Å; Q551-D555 PolarHBondContact O-N 3.39Å; F553-D555 PolarHBondContact O-N 2.94Å; D555-Q558 PolarHBondContact O-N 3.43Å; D555-I559 WeakPolarHBondContact O-CG1 3.29Å; D555-I559 PolarHBondContact O-N 3.07Å; D555-I559 VanDerWaalsContact O-N 3.15Å |
| 556 | M | 90.3 | Very high | 91.2 | Very high | 121 Ų | 121 | 106 Ų | 106 | 60% | 0.596 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -67.4 | -40.4 | 176.7 | -167.1 | -176.3 | -57.1 | 0 | 0 | 112.5 | K552 F553 N554 I559 V560 | K552-M556 WeakPolarHBondContact O-CB 3.42Å; K552-M556 PolarHBondContact O-N 3.45Å; F553-M556 PolarHBondContact O-N 3.09Å; N554-M556 VanDerWaalsContact C-N 3.29Å; N554-M556 PolarHBondContact O-N 3.08Å; M556-I559 PolarHBondContact O-N 2.68Å; M556-V560 WeakPolarHBondContact O-CG2 3.41Å; M556-V560 PolarHBondContact O-N 2.69Å |
| 557 | C | 92 | Very high | 91.2 | Very high | 46 Ų | 46 | 108.5 Ų | 108.5 | 31% | 0.311 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.8 | -44.2 | 173.9 | -72.8 | 0 | 0 | 0 | 0 | 111.8 | F553 N554 I559 V560 D561 | F553-C557 PolarHBondContact O-N 2.93Å; F553-C557 PolarHBondContact O-SG 3.09Å; F553-C557 VanDerWaalsContact O-SG 3.39Å; N554-C557 PolarHBondContact O-N 3.11Å; C557-I559 VanDerWaalsContact C-N 3.3Å; C557-I559 PolarHBondContact O-N 2.69Å; C557-V560 PolarHBondContact O-N 3.33Å; C557-V560 VanDerWaalsContact O-N 3.14Å; C557-D561 PolarHBondContact O-N 3.43Å |
| 558 | Q | 92.5 | Very high | 91.1 | Very high | 107 Ų | 107 | 105.5 Ų | 105.5 | 50% | 0.5 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.9 | -39.5 | 176 | -70 | 172.2 | 31.8 | 0 | 0 | 112.2 | N554 D555 D561 H562 | N554-Q558 WeakPolarHBondContact O-CG 3.22Å; N554-Q558 PolarHBondContact O-N 3.02Å; D555-Q558 PolarHBondContact O-N 3.43Å; Q558-D561 PolarHBondContact O-N 3.38Å; Q558-H562 WeakPolarHBondContact O-CB 3.49Å; Q558-H562 PolarHBondContact O-CD2 2.93Å; Q558-H562 PolarHBondContact O-N 3.46Å |
| 559 | I | 91 | Very high | 91 | Very high | 104 Ų | 104 | 103 Ų | 103 | 53% | 0.533 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 175 | -67.5 | 164.6 | 0 | 0 | 0 | 111.1 | D555 M556 C557 H562 L563 | D555-I559 WeakPolarHBondContact O-CG1 3.29Å; D555-I559 PolarHBondContact O-N 3.07Å; D555-I559 VanDerWaalsContact O-N 3.15Å; M556-I559 PolarHBondContact O-N 2.68Å; C557-I559 VanDerWaalsContact C-N 3.3Å; C557-I559 PolarHBondContact O-N 2.69Å; I559-H562 PolarHBondContact O-N 3.3Å; I559-L563 HydrophobicContact CG2-CD1 4.18Å; I559-L563 WeakPolarHBondContact O-CG 3.27Å; I559-L563 PolarHBondContact O-N 3.07Å |
| 560 | V | 87.2 | Confident | 91 | Very high | 62 Ų | 62 | 102.9 Ų | 102.9 | 38% | 0.376 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 177.9 | 170.8 | 0 | 0 | 0 | 0 | 111.6 | M556 C557 L563 R564 | M556-V560 WeakPolarHBondContact O-CG2 3.41Å; M556-V560 PolarHBondContact O-N 2.69Å; C557-V560 PolarHBondContact O-N 3.33Å; C557-V560 VanDerWaalsContact O-N 3.14Å; V560-L563 PolarHBondContact O-N 2.97Å; V560-R564 WeakPolarHBondContact O-CG 3.27Å; V560-R564 PolarHBondContact O-N 3.28Å |
| 561 | D | 92.3 | Very high | 90.9 | Very high | 85 Ų | 85 | 102.7 Ų | 102.7 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68 | -36.3 | 177.9 | -68.1 | -26.8 | 0 | 0 | 0 | 111.7 | C557 Q558 L563 R564 V565 | C557-D561 PolarHBondContact O-N 3.43Å; Q558-D561 PolarHBondContact O-N 3.38Å; D561-L563 VanDerWaalsContact C-N 3.34Å; D561-L563 PolarHBondContact O-N 2.81Å; D561-R564 PolarHBondContact O-N 2.73Å; D561-R564 IonicContact OD1-NH1 3.76Å; D561-R564 PolarHBondContact OD1-NH1 2.91Å; D561-V565 WeakPolarHBondContact O-CG2 3.44Å; D561-V565 PolarHBondContact O-N 2.87Å |
| 562 | H | 90.9 | Very high | 90.9 | Very high | 130 Ų | 130 | 102 Ų | 102 | 60% | 0.602 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.9 | -33.2 | 170.8 | -78.5 | -45.1 | 0 | 0 | 0 | 113.8 | Q558 I559 K566 | Q558-H562 WeakPolarHBondContact O-CB 3.49Å; Q558-H562 PolarHBondContact O-CD2 2.93Å; Q558-H562 PolarHBondContact O-N 3.46Å; I559-H562 PolarHBondContact O-N 3.3Å; H562-K566 WeakPolarHBondContact O-CG 3.47Å; H562-K566 PolarHBondContact O-N 3.27Å |
| 563 | L | 87.6 | Confident | 90.8 | Very high | 102 Ų | 102 | 103.6 Ų | 103.6 | 53% | 0.534 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -71.4 | -42.1 | 174.8 | -72.5 | 171.7 | 0 | 0 | 0 | 111.4 | I559 V560 D561 V565 K566 E567 | I559-L563 HydrophobicContact CG2-CD1 4.18Å; I559-L563 WeakPolarHBondContact O-CG 3.27Å; I559-L563 PolarHBondContact O-N 3.07Å; V560-L563 PolarHBondContact O-N 2.97Å; D561-L563 VanDerWaalsContact C-N 3.34Å; D561-L563 PolarHBondContact O-N 2.81Å; L563-V565 PolarHBondContact O-N 2.79Å; L563-K566 WeakPolarHBondContact O-CB 3.28Å; L563-K566 PolarHBondContact O-N 3.43Å; L563-K566 VanDerWaalsContact O-N 3.12Å; L563-E567 PolarHBondContact O-N 2.8Å |
| 564 | R | 91.1 | Very high | 90.7 | Very high | 141 Ų | 141 | 104.4 Ų | 104.4 | 53% | 0.532 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.5 | -46.7 | 174.2 | -74.5 | 170.9 | 170.1 | 165.9 | -6.4 | 112.5 | V560 D561 K566 E567 D568 | V560-R564 WeakPolarHBondContact O-CG 3.27Å; V560-R564 PolarHBondContact O-N 3.28Å; D561-R564 PolarHBondContact O-N 2.73Å; D561-R564 IonicContact OD1-NH1 3.76Å; D561-R564 PolarHBondContact OD1-NH1 2.91Å; R564-K566 PolarHBondContact O-N 3.08Å; R564-E567 WeakPolarHBondContact O-CB 3.48Å; R564-E567 PolarHBondContact O-N 3.42Å; R564-E567 VanDerWaalsContact O-N 3.1Å; R564-D568 PolarHBondContact O-N 3.34Å |
| 565 | V | 92.4 | Very high | 90.6 | Very high | 98 Ų | 98 | 105.2 Ų | 105.2 | 59% | 0.594 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61 | -30.4 | 176.9 | 171.2 | 0 | 0 | 0 | 0 | 112.3 | D561 L563 A569 | D561-V565 WeakPolarHBondContact O-CG2 3.44Å; D561-V565 PolarHBondContact O-N 2.87Å; L563-V565 PolarHBondContact O-N 2.79Å; V565-A569 VanDerWaalsContact O-CB 3.26Å; V565-A569 WeakPolarHBondContact O-CB 3.31Å; V565-A569 PolarHBondContact O-N 3.18Å |
| 566 | K | 89 | Confident | 90.6 | Very high | 144 Ų | 144 | 107.7 Ų | 107.7 | 63% | 0.626 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -74.3 | -43.5 | 172.5 | -73.9 | -179.6 | 178.9 | -177.1 | 0 | 112.3 | H562 L563 R564 A569 E570 | H562-K566 WeakPolarHBondContact O-CG 3.47Å; H562-K566 PolarHBondContact O-N 3.27Å; L563-K566 WeakPolarHBondContact O-CB 3.28Å; L563-K566 PolarHBondContact O-N 3.43Å; L563-K566 VanDerWaalsContact O-N 3.12Å; R564-K566 PolarHBondContact O-N 3.08Å; K566-A569 PolarHBondContact O-N 2.88Å; K566-E570 WeakPolarHBondContact O-CB 3.33Å; K566-E570 PolarHBondContact O-N 3.37Å |
| 567 | E | 89.2 | Confident | 90.7 | Very high | 137 Ų | 137 | 107.5 Ų | 107.5 | 64% | 0.64 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -58.8 | -48 | 176.9 | -175.2 | 178.1 | -172.4 | 0 | 0 | 111.1 | L563 R564 A569 E570 K571 | L563-E567 PolarHBondContact O-N 2.8Å; R564-E567 WeakPolarHBondContact O-CB 3.48Å; R564-E567 PolarHBondContact O-N 3.42Å; R564-E567 VanDerWaalsContact O-N 3.1Å; E567-A569 PolarHBondContact O-N 3.23Å; E567-E570 PolarHBondContact O-N 2.92Å; E567-K571 WeakPolarHBondContact O-CB 3.41Å; E567-K571 PolarHBondContact O-N 3.49Å |
| 568 | D | 91.7 | Very high | 90.5 | Very high | 90 Ų | 90 | 110 Ų | 110 | 48% | 0.481 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.8 | -45.1 | 175.2 | -71.3 | -35.9 | 0 | 0 | 0 | 111.5 | R564 E570 K571 D572 | R564-D568 PolarHBondContact O-N 3.34Å; D568-E570 VanDerWaalsContact C-N 3.27Å; D568-E570 PolarHBondContact O-N 3.09Å; D568-K571 PolarHBondContact O-N 3.49Å; D568-D572 PolarHBondContact O-N 3.19Å |
| 569 | A | 89.1 | Confident | 90.4 | Very high | 45 Ų | 45 | 110 Ų | 110 | 37% | 0.372 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -71.1 | -16.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | V565 K566 E567 | V565-A569 VanDerWaalsContact O-CB 3.26Å; V565-A569 WeakPolarHBondContact O-CB 3.31Å; V565-A569 PolarHBondContact O-N 3.18Å; K566-A569 PolarHBondContact O-N 2.88Å; E567-A569 PolarHBondContact O-N 3.23Å |
| 570 | E | 88.9 | Confident | 90.4 | Very high | 105 Ų | 105 | 109.4 Ų | 109.4 | 49% | 0.491 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -88.9 | -38.9 | 173.2 | -169.8 | 145.2 | -142.2 | 0 | 0 | 110.4 | K566 E567 D568 R573 Y574 | K566-E570 WeakPolarHBondContact O-CB 3.33Å; K566-E570 PolarHBondContact O-N 3.37Å; E567-E570 PolarHBondContact O-N 2.92Å; D568-E570 VanDerWaalsContact C-N 3.27Å; D568-E570 PolarHBondContact O-N 3.09Å; E570-R573 WeakPolarHBondContact O-CB 3.27Å; E570-R573 PolarHBondContact O-N 3.36Å; E570-Y574 HydrophobicContact CG-CD2 4.4Å; E570-Y574 HydrophobicContact CG-CE2 3.81Å; E570-Y574 VanDerWaalsContact O-CD2 3.25Å; E570-Y574 WeakPolarHBondContact O-CD2 3.47Å; E570-Y574 PolarHBondContact O-N 2.89Å; E570-Y574 VanDerWaalsContact O-N 3.08Å |
| 571 | K | 90.3 | Very high | 90.7 | Very high | 114 Ų | 114 | 111 Ų | 111 | 50% | 0.496 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.6 | -48.5 | 169.8 | -176.8 | -174.9 | 168 | -161.1 | 0 | 112.6 | E567 D568 R573 Y574 E575 | E567-K571 WeakPolarHBondContact O-CB 3.41Å; E567-K571 PolarHBondContact O-N 3.49Å; D568-K571 PolarHBondContact O-N 3.49Å; K571-R573 PolarHBondContact O-N 3.24Å; K571-Y574 PolarHBondContact O-N 3.18Å; K571-Y574 VanDerWaalsContact O-N 3.08Å; K571-E575 WeakPolarHBondContact CE-OE1 3.3Å; K571-E575 IonicContact NZ-OE1 2.8Å; K571-E575 PolarHBondContact O-N 3.2Å |
| 572 | D | 92.6 | Very high | 90.6 | Very high | 91 Ų | 91 | 111.2 Ų | 111.2 | 49% | 0.487 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -55.4 | -35.4 | 175.1 | -78.2 | -7.9 | 0 | 0 | 0 | 111.8 | D568 Q576 | D568-D572 PolarHBondContact O-N 3.19Å; D572-Q576 VanDerWaalsContact O-CG 3.31Å; D572-Q576 WeakPolarHBondContact O-CG 3.41Å; D572-Q576 PolarHBondContact O-N 3.03Å; D572-Q576 VanDerWaalsContact O-N 3.1Å |
| 573 | R | 91.1 | Very high | 90.6 | Very high | 168 Ų | 168 | 109.7 Ų | 109.7 | 63% | 0.634 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -68.9 | -44.2 | 177 | -118.7 | -176.5 | -72.2 | -161.7 | 0.2 | 112 | E570 K571 Q576 E577 | E570-R573 WeakPolarHBondContact O-CB 3.27Å; E570-R573 PolarHBondContact O-N 3.36Å; K571-R573 PolarHBondContact O-N 3.24Å; R573-Q576 PolarHBondContact O-N 3.08Å; R573-E577 PolarHBondContact O-N 3.39Å |
| 574 | Y | 90.7 | Very high | 90.9 | Very high | 149 Ų | 149 | 109.1 Ų | 109.1 | 58% | 0.584 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.2 | -37.6 | 174.8 | -69.5 | -54.6 | 0 | 0 | 0 | 112.5 | E570 K571 Q576 E577 I578 | E570-Y574 HydrophobicContact CG-CD2 4.4Å; E570-Y574 HydrophobicContact CG-CE2 3.81Å; E570-Y574 VanDerWaalsContact O-CD2 3.25Å; E570-Y574 WeakPolarHBondContact O-CD2 3.47Å; E570-Y574 PolarHBondContact O-N 2.89Å; E570-Y574 VanDerWaalsContact O-N 3.08Å; K571-Y574 PolarHBondContact O-N 3.18Å; K571-Y574 VanDerWaalsContact O-N 3.08Å; Y574-Q576 VanDerWaalsContact C-N 3.34Å; Y574-Q576 PolarHBondContact O-N 3.09Å; Y574-E577 PolarHBondContact O-N 2.86Å; Y574-I578 WeakPolarHBondContact O-CB 3.25Å; Y574-I578 WeakPolarHBondContact O-CD1 3.39Å; Y574-I578 VanDerWaalsContact O-CG1 3.24Å; Y574-I578 WeakPolarHBondContact O-CG1 3.29Å; Y574-I578 PolarHBondContact O-N 3.04Å |
| 575 | E | 91.2 | Very high | 90.7 | Very high | 105 Ų | 105 | 105.7 Ų | 105.7 | 49% | 0.491 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.1 | -40.1 | 175.1 | -70.5 | -174.8 | -171.1 | 0 | 0 | 111.6 | K571 I578 E579 | K571-E575 WeakPolarHBondContact CE-OE1 3.3Å; K571-E575 IonicContact NZ-OE1 2.8Å; K571-E575 PolarHBondContact O-N 3.2Å; E575-I578 PolarHBondContact O-N 3.33Å; E575-E579 PolarHBondContact O-N 2.94Å |
| 576 | Q | 92.1 | Very high | 90.5 | Very high | 118 Ų | 118 | 105 Ų | 105 | 55% | 0.551 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.6 | -41.5 | 173.8 | -72.2 | 169.4 | 11.8 | 0 | 0 | 113.2 | D572 R573 Y574 I578 E579 N580 | D572-Q576 VanDerWaalsContact O-CG 3.31Å; D572-Q576 WeakPolarHBondContact O-CG 3.41Å; D572-Q576 PolarHBondContact O-N 3.03Å; D572-Q576 VanDerWaalsContact O-N 3.1Å; R573-Q576 PolarHBondContact O-N 3.08Å; Y574-Q576 VanDerWaalsContact C-N 3.34Å; Y574-Q576 PolarHBondContact O-N 3.09Å; Q576-I578 VanDerWaalsContact C-N 3.33Å; Q576-I578 PolarHBondContact O-N 3.38Å; Q576-E579 PolarHBondContact O-N 3.07Å; Q576-N580 PolarHBondContact O-N 2.91Å; Q576-N580 PolarHBondContact O-ND2 2.93Å |
| 577 | E | 92.2 | Very high | 90.6 | Very high | 117 Ų | 117 | 104 Ų | 104 | 55% | 0.547 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.2 | -45.3 | 174.7 | -162.4 | 78.4 | -139 | 0 | 0 | 110.8 | R573 Y574 N580 L581 | R573-E577 PolarHBondContact O-N 3.39Å; Y574-E577 PolarHBondContact O-N 2.86Å; E577-N580 PolarHBondContact O-N 3.02Å; E577-L581 WeakPolarHBondContact O-CG 3.29Å; E577-L581 PolarHBondContact O-N 3.44Å |
| 578 | I | 86.9 | Confident | 90.6 | Very high | 97 Ų | 97 | 101.7 Ų | 101.7 | 50% | 0.497 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.1 | -41.8 | 176.5 | -70.3 | 165.4 | 0 | 0 | 0 | 111.3 | Y574 E575 Q576 L581 N582 | Y574-I578 WeakPolarHBondContact O-CB 3.25Å; Y574-I578 WeakPolarHBondContact O-CD1 3.39Å; Y574-I578 VanDerWaalsContact O-CG1 3.24Å; Y574-I578 WeakPolarHBondContact O-CG1 3.29Å; Y574-I578 PolarHBondContact O-N 3.04Å; E575-I578 PolarHBondContact O-N 3.33Å; Q576-I578 VanDerWaalsContact C-N 3.33Å; Q576-I578 PolarHBondContact O-N 3.38Å; I578-L581 PolarHBondContact O-N 2.94Å; I578-N582 WeakPolarHBondContact CG2-ND2 3.45Å; I578-N582 WeakPolarHBondContact O-CB 3.44Å; I578-N582 PolarHBondContact O-N 2.68Å; I578-N582 PolarHBondContact O-ND2 2.9Å |
| 579 | E | 91.2 | Very high | 90.5 | Very high | 108 Ų | 108 | 105.6 Ų | 105.6 | 51% | 0.505 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.8 | -39 | 177.5 | -158.1 | -171.2 | 137.1 | 0 | 0 | 111.9 | E575 Q576 N582 K583 | E575-E579 PolarHBondContact O-N 2.94Å; Q576-E579 PolarHBondContact O-N 3.07Å; E579-N582 PolarHBondContact O-N 3.03Å; E579-K583 WeakPolarHBondContact O-CG 3.35Å; E579-K583 PolarHBondContact O-N 3.39Å; E579-K583 WeakPolarHBondContact OE1-CE 3.28Å; E579-K583 IonicContact OE1-NZ 2.6Å; E579-K583 PolarHBondContact OE1-NZ 3.1Å |
| 580 | N | 91.9 | Very high | 90.5 | Very high | 92 Ų | 92 | 105.7 Ų | 105.7 | 49% | 0.492 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65 | -44.1 | 176.1 | -69.1 | -24.9 | 0 | 0 | 0 | 112.1 | Q576 E577 N582 K583 L584 | Q576-N580 PolarHBondContact O-N 2.91Å; Q576-N580 PolarHBondContact O-ND2 2.93Å; E577-N580 PolarHBondContact O-N 3.02Å; N580-N582 VanDerWaalsContact C-N 3.33Å; N580-N582 PolarHBondContact O-N 3.42Å; N580-K583 PolarHBondContact O-N 2.68Å; N580-L584 PolarHBondContact O-N 2.93Å |
| 581 | L | 92.7 | Very high | 90.4 | Very high | 96 Ų | 96 | 105.7 Ų | 105.7 | 50% | 0.503 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62 | -40.2 | 174.8 | -72.2 | 169.4 | 0 | 0 | 0 | 112 | E577 I578 L584 I585 | E577-L581 WeakPolarHBondContact O-CG 3.29Å; E577-L581 PolarHBondContact O-N 3.44Å; I578-L581 PolarHBondContact O-N 2.94Å; L581-L584 PolarHBondContact O-N 2.93Å; L581-I585 VanDerWaalsContact O-CG1 3.3Å; L581-I585 WeakPolarHBondContact O-CG1 3.38Å; L581-I585 PolarHBondContact O-N 3.48Å |
| 582 | N | 90.6 | Very high | 90.2 | Very high | 89 Ų | 89 | 105.3 Ų | 105.3 | 48% | 0.476 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.1 | -39.9 | 176 | -79.6 | -55.8 | 0 | 0 | 0 | 112.4 | I578 E579 N580 I585 T586 | I578-N582 WeakPolarHBondContact CG2-ND2 3.45Å; I578-N582 WeakPolarHBondContact O-CB 3.44Å; I578-N582 PolarHBondContact O-N 2.68Å; I578-N582 PolarHBondContact O-ND2 2.9Å; E579-N582 PolarHBondContact O-N 3.03Å; N580-N582 VanDerWaalsContact C-N 3.33Å; N580-N582 PolarHBondContact O-N 3.42Å; N582-I585 PolarHBondContact O-N 3.35Å; N582-T586 PolarHBondContact O-N 3.31Å |
| 583 | K | 91.4 | Very high | 90 | Very high | 97 Ų | 97 | 108.8 Ų | 108.8 | 42% | 0.422 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.2 | -49.4 | 173.6 | -72.5 | 164.1 | -173.9 | 159.3 | 0 | 111.2 | E579 N580 I585 T586 E587 | E579-K583 WeakPolarHBondContact O-CG 3.35Å; E579-K583 PolarHBondContact O-N 3.39Å; E579-K583 WeakPolarHBondContact OE1-CE 3.28Å; E579-K583 IonicContact OE1-NZ 2.6Å; E579-K583 PolarHBondContact OE1-NZ 3.1Å; N580-K583 PolarHBondContact O-N 2.68Å; K583-I585 VanDerWaalsContact C-N 3.31Å; K583-I585 PolarHBondContact O-N 3Å; K583-T586 PolarHBondContact O-N 2.65Å; K583-T586 PolarHBondContact O-OG1 3.4Å; K583-E587 PolarHBondContact O-N 3Å |
| 584 | L | 92.5 | Very high | 89.8 | Confident | 90 Ų | 90 | 105 Ų | 105 | 47% | 0.471 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.2 | -41.1 | 177.3 | -175.8 | 64.3 | 0 | 0 | 0 | 112.4 | N580 L581 T586 E587 I588 | N580-L584 PolarHBondContact O-N 2.93Å; L581-L584 PolarHBondContact O-N 2.93Å; L584-T586 VanDerWaalsContact C-N 3.31Å; L584-T586 PolarHBondContact O-N 2.99Å; L584-E587 PolarHBondContact O-N 3.37Å; L584-I588 HydrophobicContact CD1-CD1 4.42Å; L584-I588 HydrophobicContact CG-CD1 4.1Å; L584-I588 WeakPolarHBondContact O-CG1 3.36Å; L584-I588 PolarHBondContact O-N 3Å |
| 585 | I | 87.9 | Confident | 89.6 | Confident | 70 Ų | 70 | 99.9 Ų | 99.9 | 36% | 0.359 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.1 | -37.9 | 174.6 | -71.2 | 165 | 0 | 0 | 0 | 111.5 | L581 N582 K583 R589 | L581-I585 VanDerWaalsContact O-CG1 3.3Å; L581-I585 WeakPolarHBondContact O-CG1 3.38Å; L581-I585 PolarHBondContact O-N 3.48Å; N582-I585 PolarHBondContact O-N 3.35Å; K583-I585 VanDerWaalsContact C-N 3.31Å; K583-I585 PolarHBondContact O-N 3Å; I585-R589 WeakPolarHBondContact O-CB 3.5Å; I585-R589 VanDerWaalsContact O-CG 3.24Å; I585-R589 WeakPolarHBondContact O-CG 3.36Å; I585-R589 PolarHBondContact O-N 3.42Å; I585-R589 VanDerWaalsContact O-N 3.11Å |
| 586 | T | 88.5 | Confident | 89.3 | Confident | 82 Ų | 82 | 100 Ų | 100 | 50% | 0.503 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.7 | -36.1 | 176.8 | 56.8 | 0 | 0 | 0 | 0 | 113.3 | N582 K583 L584 R589 A590 | N582-T586 PolarHBondContact O-N 3.31Å; K583-T586 PolarHBondContact O-N 2.65Å; K583-T586 PolarHBondContact O-OG1 3.4Å; L584-T586 VanDerWaalsContact C-N 3.31Å; L584-T586 PolarHBondContact O-N 2.99Å; T586-R589 PolarHBondContact O-N 3.35Å; T586-A590 PolarHBondContact O-N 3.11Å |
| 587 | E | 89.7 | Confident | 88.9 | Confident | 123 Ų | 123 | 96.9 Ų | 96.9 | 58% | 0.575 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.2 | -49.9 | 174.6 | -69.2 | 177.3 | 165.4 | 0 | 0 | 111.2 | K583 L584 R589 A590 D591 | K583-E587 PolarHBondContact O-N 3Å; L584-E587 PolarHBondContact O-N 3.37Å; E587-R589 VanDerWaalsContact C-N 3.26Å; E587-R589 PolarHBondContact O-N 3.39Å; E587-A590 WeakPolarHBondContact O-CB 3.24Å; E587-A590 PolarHBondContact O-N 2.94Å; E587-D591 PolarHBondContact O-N 2.82Å |
| 588 | I | 89.8 | Confident | 88.5 | Confident | 89 Ų | 89 | 99.3 Ų | 99.3 | 46% | 0.456 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.2 | -38.8 | 177 | -66.7 | 167.1 | 0 | 0 | 0 | 111.5 | L584 N592 | L584-I588 HydrophobicContact CD1-CD1 4.42Å; L584-I588 HydrophobicContact CG-CD1 4.1Å; L584-I588 WeakPolarHBondContact O-CG1 3.36Å; L584-I588 PolarHBondContact O-N 3Å; I588-N592 WeakPolarHBondContact O-CB 3.49Å; I588-N592 PolarHBondContact O-N 3.09Å; I588-N592 PolarHBondContact O-ND2 3.15Å |
| 589 | R | 90.4 | Very high | 88.3 | Confident | 172 Ų | 172 | 97.4 Ų | 97.4 | 65% | 0.649 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.7 | -38.5 | 175.1 | -75.9 | 171.4 | 178.7 | 175 | 2.3 | 112.4 | I585 T586 E587 K593 | I585-R589 WeakPolarHBondContact O-CB 3.5Å; I585-R589 VanDerWaalsContact O-CG 3.24Å; I585-R589 WeakPolarHBondContact O-CG 3.36Å; I585-R589 PolarHBondContact O-N 3.42Å; I585-R589 VanDerWaalsContact O-N 3.11Å; T586-R589 PolarHBondContact O-N 3.35Å; E587-R589 VanDerWaalsContact C-N 3.26Å; E587-R589 PolarHBondContact O-N 3.39Å; R589-K593 PolarHBondContact O-N 2.86Å |
| 590 | A | 88 | Confident | 87.9 | Confident | 48 Ų | 48 | 97.1 Ų | 97.1 | 40% | 0.397 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.9 | -45.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | T586 E587 K593 N594 | T586-A590 PolarHBondContact O-N 3.11Å; E587-A590 WeakPolarHBondContact O-CB 3.24Å; E587-A590 PolarHBondContact O-N 2.94Å; A590-K593 WeakPolarHBondContact O-CB 3.47Å; A590-K593 PolarHBondContact O-N 2.66Å; A590-N594 VanDerWaalsContact O-CG 3.23Å; A590-N594 PolarHBondContact O-N 3.06Å; A590-N594 PolarHBondContact O-ND2 2.97Å |
| 591 | D | 87.4 | Confident | 87.6 | Confident | 104 Ų | 104 | 96.5 Ų | 96.5 | 56% | 0.556 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65 | -40.6 | 179 | -83.9 | -13.8 | 0 | 0 | 0 | 113 | E587 K593 N594 A595 | E587-D591 PolarHBondContact O-N 2.82Å; D591-K593 VanDerWaalsContact C-N 3.33Å; D591-K593 PolarHBondContact O-N 3.22Å; D591-N594 CarbonylContact O-C 3.59Å; D591-N594 PolarHBondContact O-N 3.19Å; D591-A595 WeakPolarHBondContact O-CB 3.49Å; D591-A595 PolarHBondContact O-N 3.42Å |
| 592 | N | 86.6 | Confident | 87 | Confident | 107 Ų | 107 | 94.7 Ų | 94.7 | 57% | 0.572 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.6 | -40.4 | 173.1 | -78.4 | -25 | 0 | 0 | 0 | 112 | I588 A595 L596 | I588-N592 WeakPolarHBondContact O-CB 3.49Å; I588-N592 PolarHBondContact O-N 3.09Å; I588-N592 PolarHBondContact O-ND2 3.15Å; N592-A595 PolarHBondContact O-N 3.1Å; N592-L596 PolarHBondContact O-N 2.9Å |
| 593 | K | 86.8 | Confident | 86.4 | Confident | 163 Ų | 163 | 97.2 Ų | 97.2 | 71% | 0.709 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.2 | -40.6 | 174.3 | -169.1 | 177.6 | -177.9 | 179.6 | 0 | 111.8 | R589 A590 D591 A595 L596 A597 | R589-K593 PolarHBondContact O-N 2.86Å; A590-K593 WeakPolarHBondContact O-CB 3.47Å; A590-K593 PolarHBondContact O-N 2.66Å; D591-K593 VanDerWaalsContact C-N 3.33Å; D591-K593 PolarHBondContact O-N 3.22Å; K593-A595 VanDerWaalsContact C-N 3.34Å; K593-L596 PolarHBondContact O-N 2.87Å; K593-A597 PolarHBondContact O-N 2.76Å; K593-A597 VanDerWaalsContact O-N 3.13Å |
| 594 | N | 86.7 | Confident | 86 | Confident | 89 Ų | 89 | 98.2 Ų | 98.2 | 48% | 0.476 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.4 | -29.7 | 175.4 | -67.7 | -28.1 | 0 | 0 | 0 | 112.8 | A590 D591 R598 | A590-N594 VanDerWaalsContact O-CG 3.23Å; A590-N594 PolarHBondContact O-N 3.06Å; A590-N594 PolarHBondContact O-ND2 2.97Å; D591-N594 CarbonylContact O-C 3.59Å; D591-N594 PolarHBondContact O-N 3.19Å; N594-R598 WeakPolarHBondContact O-CG 3.37Å; N594-R598 PolarHBondContact O-N 2.87Å; N594-R598 PolarHBondContact O-NE 3.09Å |
| 595 | A | 86.9 | Confident | 85.5 | Confident | 41 Ų | 41 | 100 Ų | 100 | 34% | 0.339 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -72.3 | -44.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | D591 N592 K593 R598 A599 | D591-A595 WeakPolarHBondContact O-CB 3.49Å; D591-A595 PolarHBondContact O-N 3.42Å; N592-A595 PolarHBondContact O-N 3.1Å; K593-A595 VanDerWaalsContact C-N 3.34Å; A595-R598 WeakPolarHBondContact O-CB 3.41Å; A595-R598 PolarHBondContact O-N 3.24Å; A595-R598 VanDerWaalsContact O-N 3.17Å; A595-A599 PolarHBondContact O-N 3.03Å |
| 596 | L | 85.7 | Confident | 85 | Confident | 108 Ų | 108 | 101 Ų | 101 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.5 | -49.3 | 177.8 | -167.6 | 71.2 | 0 | 0 | 0 | 111.7 | N592 K593 R598 A599 E600 | N592-L596 PolarHBondContact O-N 2.9Å; K593-L596 PolarHBondContact O-N 2.87Å; L596-R598 PolarHBondContact O-N 3.03Å; L596-A599 WeakPolarHBondContact O-CB 3.49Å; L596-A599 PolarHBondContact O-N 3.44Å; L596-E600 PolarHBondContact O-N 3.42Å |
| 597 | A | 83.9 | Confident | 84.6 | Confident | 53 Ų | 53 | 101.6 Ų | 101.6 | 44% | 0.438 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.8 | -29 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | K593 N601 | K593-A597 PolarHBondContact O-N 2.76Å; K593-A597 VanDerWaalsContact O-N 3.13Å; A597-N601 WeakPolarHBondContact O-CB 3.44Å; A597-N601 PolarHBondContact O-N 3.3Å |
| 598 | R | 84 | Confident | 84.3 | Confident | 168 Ų | 168 | 102.1 Ų | 102.1 | 63% | 0.634 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -71.9 | -38.2 | 172.6 | -79.8 | 179.1 | -74.1 | 162.1 | -5.7 | 111.9 | N594 A595 L596 A602 | N594-R598 WeakPolarHBondContact O-CG 3.37Å; N594-R598 PolarHBondContact O-N 2.87Å; N594-R598 PolarHBondContact O-NE 3.09Å; A595-R598 WeakPolarHBondContact O-CB 3.41Å; A595-R598 PolarHBondContact O-N 3.24Å; A595-R598 VanDerWaalsContact O-N 3.17Å; L596-R598 PolarHBondContact O-N 3.03Å; R598-A602 WeakPolarHBondContact O-CB 3.45Å; R598-A602 PolarHBondContact O-N 2.68Å; R598-A602 VanDerWaalsContact O-N 3.1Å |
| 599 | A | 81.5 | Confident | 83.7 | Confident | 57 Ų | 57 | 101.1 Ų | 101.1 | 47% | 0.471 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.4 | -48.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A595 L596 N601 A602 E603 | A595-A599 PolarHBondContact O-N 3.03Å; L596-A599 WeakPolarHBondContact O-CB 3.49Å; L596-A599 PolarHBondContact O-N 3.44Å; A599-N601 VanDerWaalsContact C-N 3.32Å; A599-N601 PolarHBondContact O-N 3.34Å; A599-A602 WeakPolarHBondContact O-CB 3.48Å; A599-A602 PolarHBondContact O-N 2.97Å; A599-E603 PolarHBondContact O-N 3.39Å |
| 600 | E | 83.2 | Confident | 83.1 | Confident | 101 Ų | 101 | 98.4 Ų | 98.4 | 47% | 0.472 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -56.5 | -43.3 | 177.6 | -68.7 | 172.5 | 172 | 0 | 0 | 112.3 | L596 E603 Q604 | L596-E600 PolarHBondContact O-N 3.42Å; E600-E603 PolarHBondContact O-N 2.84Å; E600-Q604 WeakPolarHBondContact O-CG 3.39Å; E600-Q604 PolarHBondContact O-N 3.4Å |
| 601 | N | 84.6 | Confident | 82.6 | Confident | 79 Ų | 79 | 99.7 Ų | 99.7 | 42% | 0.422 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.1 | -35.2 | 177.4 | -169.7 | -9 | 0 | 0 | 0 | 112.2 | A597 A599 K605 | A597-N601 WeakPolarHBondContact O-CB 3.44Å; A597-N601 PolarHBondContact O-N 3.3Å; A599-N601 VanDerWaalsContact C-N 3.32Å; A599-N601 PolarHBondContact O-N 3.34Å; N601-K605 WeakPolarHBondContact O-CG 3.25Å; N601-K605 PolarHBondContact O-N 3.15Å; N601-K605 VanDerWaalsContact O-N 3.15Å; N601-K605 VanDerWaalsContact OD1-CE 3.26Å; N601-K605 WeakPolarHBondContact OD1-CE 3.19Å |
| 602 | A | 80.3 | Confident | 82 | Confident | 58 Ų | 58 | 100.3 Ų | 100.3 | 48% | 0.479 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.2 | -40 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | R598 A599 K605 L606 | R598-A602 WeakPolarHBondContact O-CB 3.45Å; R598-A602 PolarHBondContact O-N 2.68Å; R598-A602 VanDerWaalsContact O-N 3.1Å; A599-A602 WeakPolarHBondContact O-CB 3.48Å; A599-A602 PolarHBondContact O-N 2.97Å; A602-K605 PolarHBondContact O-N 3.38Å; A602-L606 PolarHBondContact O-N 3.32Å |
| 603 | E | 79.4 | Confident | 81.6 | Confident | 142 Ų | 142 | 99.8 Ų | 99.8 | 66% | 0.664 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65 | -45.7 | 176.6 | -170.8 | 169 | -151.2 | 0 | 0 | 112 | A599 E600 K605 L606 D607 | A599-E603 PolarHBondContact O-N 3.39Å; E600-E603 PolarHBondContact O-N 2.84Å; E603-K605 VanDerWaalsContact C-N 3.27Å; E603-K605 PolarHBondContact O-N 3.3Å; E603-L606 WeakPolarHBondContact O-CB 3.5Å; E603-L606 PolarHBondContact O-N 3.08Å; E603-L606 VanDerWaalsContact O-N 3.12Å; E603-D607 PolarHBondContact O-N 3.2Å |
| 604 | Q | 81.4 | Confident | 81 | Confident | 118 Ų | 118 | 101 Ų | 101 | 55% | 0.551 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.7 | -34.1 | 174.1 | -71.2 | 179.6 | 21.4 | 0 | 0 | 113.2 | E600 K608 | E600-Q604 WeakPolarHBondContact O-CG 3.39Å; E600-Q604 PolarHBondContact O-N 3.4Å; Q604-K608 WeakPolarHBondContact O-CG 3.22Å; Q604-K608 PolarHBondContact O-N 3.02Å |
| 605 | K | 82.6 | Confident | 80.4 | Confident | 127 Ų | 127 | 101.6 Ų | 101.6 | 55% | 0.552 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -69.9 | -42.1 | 173.8 | -75.6 | 171.3 | -178.3 | 173.6 | 0 | 111.5 | N601 A602 E603 D607 K608 T609 | N601-K605 WeakPolarHBondContact O-CG 3.25Å; N601-K605 PolarHBondContact O-N 3.15Å; N601-K605 VanDerWaalsContact O-N 3.15Å; N601-K605 VanDerWaalsContact OD1-CE 3.26Å; N601-K605 WeakPolarHBondContact OD1-CE 3.19Å; A602-K605 PolarHBondContact O-N 3.38Å; E603-K605 VanDerWaalsContact C-N 3.27Å; E603-K605 PolarHBondContact O-N 3.3Å; K605-D607 VanDerWaalsContact C-N 3.31Å; K605-D607 PolarHBondContact O-N 2.89Å; K605-K608 PolarHBondContact O-N 3Å; K605-T609 WeakPolarHBondContact O-CG2 3.14Å; K605-T609 PolarHBondContact O-N 2.97Å; K605-T609 PolarHBondContact O-OG1 3.07Å |
| 606 | L | 78.1 | Confident | 79.9 | Confident | 91 Ų | 91 | 105.6 Ų | 105.6 | 48% | 0.476 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.3 | -41 | 177 | 179.3 | 63.4 | 0 | 0 | 0 | 111.6 | A602 E603 T609 K610 | A602-L606 PolarHBondContact O-N 3.32Å; E603-L606 WeakPolarHBondContact O-CB 3.5Å; E603-L606 PolarHBondContact O-N 3.08Å; E603-L606 VanDerWaalsContact O-N 3.12Å; L606-T609 WeakPolarHBondContact CA-OG1 3.2Å; L606-T609 PolarHBondContact O-N 3.05Å; L606-T609 PolarHBondContact O-OG1 3.32Å; L606-K610 HydrophobicContact CG-CD 4.36Å; L606-K610 WeakPolarHBondContact O-CG 3.38Å; L606-K610 PolarHBondContact O-N 3.12Å |
| 607 | D | 80.5 | Confident | 79.1 | Confident | 96 Ų | 96 | 106.8 Ų | 106.8 | 51% | 0.513 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -72.5 | -35.2 | -178.6 | -144.2 | 50.4 | 0 | 0 | 0 | 112.6 | E603 K605 K610 T611 | E603-D607 PolarHBondContact O-N 3.2Å; K605-D607 VanDerWaalsContact C-N 3.31Å; K605-D607 PolarHBondContact O-N 2.89Å; D607-K610 PolarHBondContact O-N 3.01Å; D607-T611 PolarHBondContact O-N 2.75Å; D607-T611 PolarHBondContact O-OG1 2.92Å |
| 608 | K | 81.8 | Confident | 78.5 | Confident | 133 Ų | 133 | 107.2 Ų | 107.2 | 58% | 0.578 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.3 | -37.8 | 168.6 | -73.1 | 172.8 | -177.3 | 173.2 | 0 | 112.9 | Q604 K605 T611 L612 | Q604-K608 WeakPolarHBondContact O-CG 3.22Å; Q604-K608 PolarHBondContact O-N 3.02Å; K605-K608 PolarHBondContact O-N 3Å; K608-T611 WeakPolarHBondContact CA-OG1 3.37Å; K608-T611 PolarHBondContact O-OG1 3.21Å; K608-L612 WeakPolarHBondContact O-CB 3.38Å; K608-L612 WeakPolarHBondContact O-CG 3.39Å; K608-L612 PolarHBondContact O-N 2.82Å; K608-L612 VanDerWaalsContact O-N 3.14Å |
| 609 | T | 78.2 | Confident | 77.8 | Confident | 69 Ų | 69 | 105 Ų | 105 | 42% | 0.423 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -74.6 | -36.6 | 176.5 | 55.2 | 0 | 0 | 0 | 0 | 112.5 | K605 L606 L612 L613 | K605-T609 WeakPolarHBondContact O-CG2 3.14Å; K605-T609 PolarHBondContact O-N 2.97Å; K605-T609 PolarHBondContact O-OG1 3.07Å; L606-T609 WeakPolarHBondContact CA-OG1 3.2Å; L606-T609 PolarHBondContact O-N 3.05Å; L606-T609 PolarHBondContact O-OG1 3.32Å; T609-L612 PolarHBondContact O-N 3.12Å; T609-L613 WeakPolarHBondContact O-CB 3.38Å; T609-L613 WeakPolarHBondContact O-CG 3.44Å; T609-L613 PolarHBondContact O-N 3.35Å |
| 610 | K | 77.2 | Confident | 76.6 | Confident | 115 Ų | 115 | 108.4 Ų | 108.4 | 50% | 0.5 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.8 | -46.4 | 172.6 | -76.2 | 171.5 | 179.3 | 170.9 | 0 | 112.1 | L606 D607 L613 R614 | L606-K610 HydrophobicContact CG-CD 4.36Å; L606-K610 WeakPolarHBondContact O-CG 3.38Å; L606-K610 PolarHBondContact O-N 3.12Å; D607-K610 PolarHBondContact O-N 3.01Å; K610-L613 PolarHBondContact O-N 2.96Å; K610-R614 WeakPolarHBondContact O-CB 3.3Å; K610-R614 PolarHBondContact O-N 2.84Å |
| 611 | T | 77.6 | Confident | 75.3 | Confident | 75 Ų | 75 | 110.6 Ų | 110.6 | 46% | 0.46 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.5 | -41.5 | 178.5 | 43.8 | 0 | 0 | 0 | 0 | 112.5 | D607 K608 R614 N615 | D607-T611 PolarHBondContact O-N 2.75Å; D607-T611 PolarHBondContact O-OG1 2.92Å; K608-T611 WeakPolarHBondContact CA-OG1 3.37Å; K608-T611 PolarHBondContact O-OG1 3.21Å; T611-R614 PolarHBondContact O-N 3.39Å; T611-N615 VanDerWaalsContact O-CG 3.3Å; T611-N615 PolarHBondContact O-N 2.8Å; T611-N615 VanDerWaalsContact O-N 3.11Å |
| 612 | L | 75.9 | Confident | 73.9 | Confident | 116 Ų | 116 | 113.9 Ų | 113.9 | 61% | 0.607 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.7 | -41.8 | 173.5 | -81.4 | 166.1 | 0 | 0 | 0 | 113.4 | K608 T609 R616 | K608-L612 WeakPolarHBondContact O-CB 3.38Å; K608-L612 WeakPolarHBondContact O-CG 3.39Å; K608-L612 PolarHBondContact O-N 2.82Å; K608-L612 VanDerWaalsContact O-N 3.14Å; T609-L612 PolarHBondContact O-N 3.12Å; L612-R616 PolarHBondContact O-N 3.23Å; L612-R616 VanDerWaalsContact O-N 3.15Å |
| 613 | L | 76.4 | Confident | 72.8 | Confident | 97 Ų | 97 | 116.3 Ų | 116.3 | 51% | 0.508 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63 | -48.1 | 176.8 | -80 | 166.8 | 0 | 0 | 0 | 111.4 | T609 K610 N615 R616 E617 | T609-L613 WeakPolarHBondContact O-CB 3.38Å; T609-L613 WeakPolarHBondContact O-CG 3.44Å; T609-L613 PolarHBondContact O-N 3.35Å; K610-L613 PolarHBondContact O-N 2.96Å; L613-N615 VanDerWaalsContact C-N 3.3Å; L613-N615 PolarHBondContact O-N 2.6Å; L613-R616 PolarHBondContact O-N 3.38Å; L613-E617 PolarHBondContact O-N 3.46Å |
| 614 | R | 74.8 | Confident | 71.4 | Confident | 189 Ų | 189 | 116.8 Ų | 116.8 | 71% | 0.713 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -59.5 | -39.9 | 179.4 | -169.5 | 174.3 | -171.9 | 163.6 | 3.7 | 112.4 | K610 T611 T618 | K610-R614 WeakPolarHBondContact O-CB 3.3Å; K610-R614 PolarHBondContact O-N 2.84Å; T611-R614 PolarHBondContact O-N 3.39Å; R614-T618 WeakPolarHBondContact O-CG2 3.37Å; R614-T618 PolarHBondContact O-N 3.15Å |
| 615 | N | 75.4 | Confident | 69.9 | Low | 101 Ų | 101 | 118.3 Ų | 118.3 | 54% | 0.54 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -62.8 | -44.6 | 174.5 | -69.8 | -9 | 0 | 0 | 0 | 111.2 | T611 L613 T618 E619 | T611-N615 VanDerWaalsContact O-CG 3.3Å; T611-N615 PolarHBondContact O-N 2.8Å; T611-N615 VanDerWaalsContact O-N 3.11Å; L613-N615 VanDerWaalsContact C-N 3.3Å; L613-N615 PolarHBondContact O-N 2.6Å; N615-T618 PolarHBondContact O-N 2.87Å; N615-T618 PolarHBondContact O-OG1 2.93Å; N615-E619 PolarHBondContact O-N 3.39Å |
| 616 | R | 75.5 | Confident | 68.2 | Low | 124 Ų | 124 | 119 Ų | 119 | 47% | 0.468 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -72.9 | -29.9 | -175.6 | -162.9 | 157.4 | 65.9 | 104 | -2.8 | 113.9 | L612 L613 T618 E619 Y620 | L612-R616 PolarHBondContact O-N 3.23Å; L612-R616 VanDerWaalsContact O-N 3.15Å; L613-R616 PolarHBondContact O-N 3.38Å; R616-T618 VanDerWaalsContact C-N 3.35Å; R616-E619 PolarHBondContact O-N 3.07Å; R616-Y620 HydrophobicContact CG-CD2 4.07Å; R616-Y620 HydrophobicContact CG-CE2 3.67Å; R616-Y620 PolarHBondContact NH1-OH 3.1Å; R616-Y620 WeakPolarHBondContact O-CD2 3.32Å; R616-Y620 PolarHBondContact O-N 2.87Å; R616-Y620 VanDerWaalsContact O-N 3.08Å |
| 617 | E | 70 | Confident | 66.5 | Low | 134 Ų | 134 | 123.2 Ų | 123.2 | 63% | 0.626 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -58.5 | -46.3 | 167.2 | -76.9 | 178.7 | 137.8 | 0 | 0 | 111.2 | L613 E619 Y620 E621 | L613-E617 PolarHBondContact O-N 3.46Å; E617-E619 PolarHBondContact O-N 3.44Å; E617-Y620 PolarHBondContact O-N 2.95Å; E617-E621 PolarHBondContact O-N 3.04Å |
| 618 | T | 70.8 | Confident | 64.6 | Low | 61 Ų | 61 | 128.6 Ų | 128.6 | 37% | 0.374 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -70.2 | -12 | 179.2 | 69.8 | 0 | 0 | 0 | 0 | 114.8 | R614 N615 R616 K622 | R614-T618 WeakPolarHBondContact O-CG2 3.37Å; R614-T618 PolarHBondContact O-N 3.15Å; N615-T618 PolarHBondContact O-N 2.87Å; N615-T618 PolarHBondContact O-OG1 2.93Å; R616-T618 VanDerWaalsContact C-N 3.35Å; T618-K622 VanDerWaalsContact O-CD 3.23Å; T618-K622 WeakPolarHBondContact O-CD 3.21Å; T618-K622 VanDerWaalsContact O-CE 3.23Å; T618-K622 WeakPolarHBondContact O-CE 3.35Å; T618-K622 WeakPolarHBondContact O-CG 3.32Å; T618-K622 PolarHBondContact O-NZ 2.82Å |
| 619 | E | 69.6 | Low | 63 | Low | 123 Ų | 123 | 132 Ų | 132 | 58% | 0.575 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -85.5 | -45.4 | 168.4 | -70.7 | -171.6 | 143.1 | 0 | 0 | 111.1 | N615 R616 E617 E621 K622 E623 | N615-E619 PolarHBondContact O-N 3.39Å; R616-E619 PolarHBondContact O-N 3.07Å; E617-E619 PolarHBondContact O-N 3.44Å; E619-E621 PolarHBondContact O-N 3.33Å; E619-K622 WeakPolarHBondContact O-CB 2.97Å; E619-K622 PolarHBondContact O-N 2.64Å; E619-E623 PolarHBondContact O-N 3Å |
| 620 | Y | 56.4 | Low | 61.6 | Low | 128 Ų | 128 | 135.2 Ų | 135.2 | 50% | 0.502 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -63.9 | -36.3 | 178.5 | -75 | -50.6 | 0 | 0 | 0 | 113.3 | R616 E617 K622 E623 L624 | R616-Y620 HydrophobicContact CG-CD2 4.07Å; R616-Y620 HydrophobicContact CG-CE2 3.67Å; R616-Y620 PolarHBondContact NH1-OH 3.1Å; R616-Y620 WeakPolarHBondContact O-CD2 3.32Å; R616-Y620 PolarHBondContact O-N 2.87Å; R616-Y620 VanDerWaalsContact O-N 3.08Å; E617-Y620 PolarHBondContact O-N 2.95Å; Y620-K622 PolarHBondContact O-N 3.01Å; Y620-E623 PolarHBondContact O-N 3.41Å; Y620-L624 WeakPolarHBondContact O-CB 3.23Å; Y620-L624 PolarHBondContact O-N 2.94Å |
| 621 | E | 54.8 | Low | 60.2 | Low | 147 Ų | 147 | 137.6 Ų | 137.6 | 69% | 0.687 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -58.9 | -34.2 | 172 | -74.1 | -172.9 | 143.3 | 0 | 0 | 112.5 | E617 E619 | E617-E621 PolarHBondContact O-N 3.04Å; E619-E621 PolarHBondContact O-N 3.33Å |
| 622 | K | 56.3 | Low | 58.8 | Low | 147 Ų | 147 | 136.5 Ų | 136.5 | 64% | 0.639 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -78 | -37 | 178.8 | -66.8 | 169.7 | -171.1 | 157.7 | 0 | 112.5 | T618 E619 Y620 | T618-K622 VanDerWaalsContact O-CD 3.23Å; T618-K622 WeakPolarHBondContact O-CD 3.21Å; T618-K622 VanDerWaalsContact O-CE 3.23Å; T618-K622 WeakPolarHBondContact O-CE 3.35Å; T618-K622 WeakPolarHBondContact O-CG 3.32Å; T618-K622 PolarHBondContact O-NZ 2.82Å; E619-K622 WeakPolarHBondContact O-CB 2.97Å; E619-K622 PolarHBondContact O-N 2.64Å; Y620-K622 PolarHBondContact O-N 3.01Å |
| 623 | E | 55.3 | Low | 58 | Low | 109 Ų | 109 | 136 Ų | 136 | 51% | 0.509 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -74.9 | -40.7 | 178.9 | -71.1 | -154.2 | 116.8 | 0 | 0 | 113.1 | E619 Y620 N625 N626 | E619-E623 PolarHBondContact O-N 3Å; Y620-E623 PolarHBondContact O-N 3.41Å; E623-N625 VanDerWaalsContact C-N 3.31Å; E623-N625 PolarHBondContact O-N 3.45Å; E623-N626 PolarHBondContact O-N 2.93Å |
| 624 | L | 51.2 | Low | 57.2 | Low | 152 Ų | 152 | 139.1 Ų | 139.1 | 80% | 0.796 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -65.7 | -35.4 | -173.6 | -161.8 | 74.9 | 0 | 0 | 0 | 112.2 | Y620 N626 | Y620-L624 WeakPolarHBondContact O-CB 3.23Å; Y620-L624 PolarHBondContact O-N 2.94Å; L624-N626 PolarHBondContact O-N 3.4Å |
| 625 | N | 48.8 | Very low | 56.3 | Low | 151 Ų | 151 | 133.9 Ų | 133.9 | 81% | 0.807 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -3.1 | -179.5 | -160.8 | 32.8 | 0 | 0 | 0 | 114.1 | E623 | E623-N625 VanDerWaalsContact C-N 3.31Å; E623-N625 PolarHBondContact O-N 3.45Å |
| 626 | N | 46.9 | Very low | 55.7 | Low | 142 Ų | 142 | 132.7 Ų | 132.7 | 76% | 0.759 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.1 | 4 | -166.1 | -134.7 | 9.3 | 0 | 0 | 0 | 115.9 | E623 L624 | E623-N626 PolarHBondContact O-N 2.93Å; L624-N626 PolarHBondContact O-N 3.4Å |
| 627 | R | 43.8 | Very low | 55.5 | Low | 178 Ų | 178 | 134.9 Ų | 134.9 | 67% | 0.672 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127 | -26.5 | -169.2 | -69.3 | -169.1 | -180 | -101 | 4.5 | 120 | ||
| 628 | Y | 40.9 | Very low | 55.6 | Low | 209 Ų | 209 | 135.7 Ų | 135.7 | 82% | 0.82 | 66% | 0.656 | S | S | * | * | trans | -139.8 | 130.4 | -173.6 | -67.6 | -78.3 | 0 | 0 | 0 | 115.8 | ||||
| 629 | K | 46.3 | Very low | 55.5 | Low | 206 Ų | 206 | 136 Ų | 136 | 90% | 0.896 | 66% | 0.655 | S | S | * | * | trans | -91.7 | 144.1 | 165.7 | -71.2 | -179.4 | 174.8 | -179.8 | 0 | 109.5 | ||||
| 630 | L | 50 | Low | 56 | Low | 135 Ų | 135 | 132.9 Ų | 132.9 | 71% | 0.707 | 65% | 0.646 | S | S | * | * | trans | -95.8 | -17.4 | -148 | -157.4 | 65.3 | 0 | 0 | 0 | 116.8 | S632 | L630-S632 PolarHBondContact O-N 2.81Å; L630-S632 VanDerWaalsContact O-N 3.11Å | ||
| 631 | D | 47.1 | Very low | 57.1 | Low | 166 Ų | 166 | 129.8 Ų | 129.8 | 89% | 0.888 | 65% | 0.648 | S | S | * | * | trans | -91.9 | 55 | -159.4 | -60.7 | -41.5 | 0 | 0 | 0 | 116.2 | ||||
| 632 | S | 49.6 | Very low | 58.3 | Low | 52 Ų | 52 | 127.3 Ų | 127.3 | 36% | 0.364 | 64% | 0.635 | S | S | . | * | trans | -108.7 | 126.5 | 168.3 | 177.9 | 0 | 0 | 0 | 0 | 112.1 | L630 E634 L635 S636 | L630-S632 PolarHBondContact O-N 2.81Å; L630-S632 VanDerWaalsContact O-N 3.11Å; S632-E634 PolarHBondContact O-N 3.04Å; S632-L635 PolarHBondContact O-N 3.31Å; S632-S636 WeakPolarHBondContact O-CB 3.42Å; S632-S636 PolarHBondContact O-N 3Å | ||
| 633 | P | 58.1 | Low | 59.5 | Low | 104 Ų | 104 | 123.7 Ų | 123.7 | 68% | 0.675 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -71.3 | -30.2 | -174.5 | 27.9 | -34.6 | 0 | 0 | 0 | 113.7 | S636 K637 | P633-S636 PolarHBondContact O-N 3.07Å; P633-K637 PolarHBondContact O-N 3.46Å |
| 634 | E | 58.6 | Low | 61 | Low | 163 Ų | 163 | 122.1 Ų | 122.1 | 76% | 0.762 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -69 | -42.6 | 175.4 | -64.9 | 177.7 | 156.4 | 0 | 0 | 110.8 | S632 K637 F638 | S632-E634 PolarHBondContact O-N 3.04Å; E634-K637 PolarHBondContact O-N 3Å; E634-F638 PolarHBondContact O-N 3.39Å; E634-F638 VanDerWaalsContact O-N 3.11Å |
| 635 | L | 56 | Low | 62.7 | Low | 79 Ų | 79 | 119.6 Ų | 119.6 | 41% | 0.414 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -61.8 | -44.9 | 172.8 | -173.5 | 67.2 | 0 | 0 | 0 | 110.5 | S632 K637 F638 I639 | S632-L635 PolarHBondContact O-N 3.31Å; L635-K637 VanDerWaalsContact C-N 3.33Å; L635-K637 PolarHBondContact O-N 3.16Å; L635-F638 PolarHBondContact O-N 2.82Å; L635-I639 HydrophobicContact CD1-CD1 4.14Å; L635-I639 HydrophobicContact CD1-CG1 4.33Å; L635-I639 HydrophobicContact CD2-CD1 4.19Å; L635-I639 HydrophobicContact CG-CD1 3.68Å; L635-I639 HydrophobicContact CG-CG1 4.23Å; L635-I639 VanDerWaalsContact O-CB 3.23Å; L635-I639 WeakPolarHBondContact O-CB 3.24Å; L635-I639 VanDerWaalsContact O-CG1 3.23Å; L635-I639 WeakPolarHBondContact O-CG1 3.41Å; L635-I639 PolarHBondContact O-N 3.47Å |
| 636 | S | 64 | Low | 64.3 | Low | 76 Ų | 76 | 115.5 Ų | 115.5 | 53% | 0.531 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -58.7 | -40.5 | 177.4 | -170.2 | 0 | 0 | 0 | 0 | 112.7 | S632 P633 S640 | S632-S636 WeakPolarHBondContact O-CB 3.42Å; S632-S636 PolarHBondContact O-N 3Å; P633-S636 PolarHBondContact O-N 3.07Å; S636-S640 WeakPolarHBondContact O-CB 3.46Å; S636-S640 PolarHBondContact O-N 2.83Å |
| 637 | K | 71.9 | Confident | 66.3 | Low | 171 Ų | 171 | 116.1 Ų | 116.1 | 74% | 0.743 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -70.3 | -40.4 | 178.6 | -150.1 | 176.6 | -169.9 | 179.7 | 0 | 112.8 | P633 E634 L635 A641 | P633-K637 PolarHBondContact O-N 3.46Å; E634-K637 PolarHBondContact O-N 3Å; L635-K637 VanDerWaalsContact C-N 3.33Å; L635-K637 PolarHBondContact O-N 3.16Å; K637-A641 PolarHBondContact O-N 2.91Å; K637-A641 VanDerWaalsContact O-N 3.12Å |
| 638 | F | 71.5 | Confident | 68.4 | Low | 151 Ų | 151 | 110.7 Ų | 110.7 | 66% | 0.662 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68.1 | -42.7 | 174.1 | -175.7 | -94.3 | 0 | 0 | 0 | 111.8 | E634 L635 A641 K642 | E634-F638 PolarHBondContact O-N 3.39Å; E634-F638 VanDerWaalsContact O-N 3.11Å; L635-F638 PolarHBondContact O-N 2.82Å; F638-A641 PolarHBondContact O-N 2.9Å; F638-K642 WeakPolarHBondContact O-CB 3.37Å; F638-K642 PolarHBondContact O-N 2.96Å |
| 639 | I | 69.5 | Low | 70.6 | Confident | 67 Ų | 67 | 105.9 Ų | 105.9 | 34% | 0.344 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -57.6 | -48.2 | 173 | -76.4 | 177.2 | 0 | 0 | 0 | 110.1 | L635 K642 I643 | L635-I639 HydrophobicContact CD1-CD1 4.14Å; L635-I639 HydrophobicContact CD1-CG1 4.33Å; L635-I639 HydrophobicContact CD2-CD1 4.19Å; L635-I639 HydrophobicContact CG-CD1 3.68Å; L635-I639 HydrophobicContact CG-CG1 4.23Å; L635-I639 VanDerWaalsContact O-CB 3.23Å; L635-I639 WeakPolarHBondContact O-CB 3.24Å; L635-I639 VanDerWaalsContact O-CG1 3.23Å; L635-I639 WeakPolarHBondContact O-CG1 3.41Å; L635-I639 PolarHBondContact O-N 3.47Å; I639-K642 PolarHBondContact O-N 2.94Å; I639-I643 HydrophobicContact CG2-CD1 3.43Å; I639-I643 VanDerWaalsContact CG2-CD1 3.43Å; I639-I643 HydrophobicContact CG2-CG1 4.09Å; I639-I643 VanDerWaalsContact O-CB 3.24Å; I639-I643 WeakPolarHBondContact O-CB 3.44Å; I639-I643 VanDerWaalsContact O-CG1 3.22Å; I639-I643 WeakPolarHBondContact O-CG1 3.39Å; I639-I643 PolarHBondContact O-N 2.99Å |
| 640 | S | 78.4 | Confident | 72.5 | Confident | 57 Ų | 57 | 103.1 Ų | 103.1 | 40% | 0.399 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.2 | -48.5 | 179.3 | -161.5 | 0 | 0 | 0 | 0 | 111.9 | S636 K642 I643 D644 | S636-S640 WeakPolarHBondContact O-CB 3.46Å; S636-S640 PolarHBondContact O-N 2.83Å; S640-K642 VanDerWaalsContact C-N 3.31Å; S640-K642 PolarHBondContact O-N 3.02Å; S640-I643 PolarHBondContact O-N 2.8Å; S640-D644 VanDerWaalsContact O-CG 3.26Å; S640-D644 PolarHBondContact O-N 2.78Å |
| 641 | A | 79.5 | Confident | 74.4 | Confident | 64 Ų | 64 | 101.4 Ų | 101.4 | 53% | 0.529 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.9 | -38 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | K637 F638 L645 | K637-A641 PolarHBondContact O-N 2.91Å; K637-A641 VanDerWaalsContact O-N 3.12Å; F638-A641 PolarHBondContact O-N 2.9Å; A641-L645 PolarHBondContact O-N 3.26Å; A641-L645 VanDerWaalsContact O-N 3.13Å |
| 642 | K | 80.1 | Confident | 76.4 | Confident | 95 Ų | 95 | 100.5 Ų | 100.5 | 41% | 0.413 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -73.4 | -37 | 175.7 | -176.2 | 53.4 | 178.2 | 155.9 | 0 | 112 | F638 I639 S640 L645 E646 | F638-K642 WeakPolarHBondContact O-CB 3.37Å; F638-K642 PolarHBondContact O-N 2.96Å; I639-K642 PolarHBondContact O-N 2.94Å; S640-K642 VanDerWaalsContact C-N 3.31Å; S640-K642 PolarHBondContact O-N 3.02Å; K642-L645 HydrophobicContact CD-CD2 4.32Å; K642-E646 WeakPolarHBondContact CE-OE2 3.23Å; K642-E646 IonicContact NZ-OE1 3.35Å; K642-E646 PolarHBondContact NZ-OE1 3.06Å; K642-E646 IonicContact NZ-OE2 2.74Å; K642-E646 PolarHBondContact NZ-OE2 3.05Å; K642-E646 WeakPolarHBondContact O-CB 3.42Å; K642-E646 PolarHBondContact O-N 2.92Å |
| 643 | I | 83.1 | Confident | 78.3 | Confident | 71 Ų | 71 | 101.5 Ų | 101.5 | 36% | 0.364 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.8 | -44.3 | 172.2 | -79.3 | 174.9 | 0 | 0 | 0 | 110.6 | I639 S640 E646 R647 | I639-I643 HydrophobicContact CG2-CD1 3.43Å; I639-I643 VanDerWaalsContact CG2-CD1 3.43Å; I639-I643 HydrophobicContact CG2-CG1 4.09Å; I639-I643 VanDerWaalsContact O-CB 3.24Å; I639-I643 WeakPolarHBondContact O-CB 3.44Å; I639-I643 VanDerWaalsContact O-CG1 3.22Å; I639-I643 WeakPolarHBondContact O-CG1 3.39Å; I639-I643 PolarHBondContact O-N 2.99Å; S640-I643 PolarHBondContact O-N 2.8Å; I643-E646 PolarHBondContact O-N 3.44Å; I643-R647 HydrophobicContact CG2-CG 4.21Å; I643-R647 VanDerWaalsContact O-CB 3.3Å; I643-R647 WeakPolarHBondContact O-CB 3.26Å; I643-R647 WeakPolarHBondContact O-CG 3.39Å; I643-R647 PolarHBondContact O-N 3.02Å |
| 644 | D | 86.2 | Confident | 79.7 | Confident | 75 Ų | 75 | 100.1 Ų | 100.1 | 40% | 0.401 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -72 | -35.4 | -177.3 | -64.6 | -33 | 0 | 0 | 0 | 111.7 | S640 R647 A648 | S640-D644 VanDerWaalsContact O-CG 3.26Å; S640-D644 PolarHBondContact O-N 2.78Å; D644-R647 IonicContact OD1-NH1 2.74Å; D644-R647 PolarHBondContact OD1-NH1 3.12Å; D644-A648 WeakPolarHBondContact O-CB 3.11Å; D644-A648 PolarHBondContact O-N 3.32Å |
| 645 | L | 85.9 | Confident | 81.3 | Confident | 100 Ų | 100 | 96 Ų | 96 | 52% | 0.524 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.1 | -47 | 168.2 | -173.6 | 77 | 0 | 0 | 0 | 111.6 | A641 K642 A648 H649 | A641-L645 PolarHBondContact O-N 3.26Å; A641-L645 VanDerWaalsContact O-N 3.13Å; K642-L645 HydrophobicContact CD-CD2 4.32Å; L645-A648 PolarHBondContact O-N 3.49Å; L645-H649 PolarHBondContact O-N 3.36Å |
| 646 | E | 83.9 | Confident | 82.9 | Confident | 64 Ų | 64 | 95.8 Ų | 95.8 | 30% | 0.299 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68.5 | -38.6 | -179.3 | -133.9 | 71.9 | 170.4 | 0 | 0 | 111.6 | K642 I643 A648 H649 Y650 | K642-E646 WeakPolarHBondContact CE-OE2 3.23Å; K642-E646 IonicContact NZ-OE1 3.35Å; K642-E646 PolarHBondContact NZ-OE1 3.06Å; K642-E646 IonicContact NZ-OE2 2.74Å; K642-E646 PolarHBondContact NZ-OE2 3.05Å; K642-E646 WeakPolarHBondContact O-CB 3.42Å; K642-E646 PolarHBondContact O-N 2.92Å; I643-E646 PolarHBondContact O-N 3.44Å; E646-A648 VanDerWaalsContact C-N 3.35Å; E646-A648 PolarHBondContact O-N 3.18Å; E646-H649 WeakPolarHBondContact O-CB 3.25Å; E646-H649 PolarHBondContact O-N 2.86Å; E646-Y650 HydrophobicContact CB-CD2 4.3Å; E646-Y650 HydrophobicContact CB-CE2 4.05Å; E646-Y650 HydrophobicContact CG-CD2 4.11Å; E646-Y650 HydrophobicContact CG-CE2 3.48Å; E646-Y650 VanDerWaalsContact CG-CE2 3.48Å; E646-Y650 WeakPolarHBondContact O-CD2 3.28Å; E646-Y650 PolarHBondContact O-N 3.2Å |
| 647 | R | 89.1 | Confident | 84.2 | Confident | 156 Ų | 156 | 97.6 Ų | 97.6 | 59% | 0.589 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -59.5 | -43.5 | 171.8 | -78.9 | 169.9 | 172.9 | 166.3 | -4.7 | 111.6 | I643 D644 H649 Y650 Q651 | I643-R647 HydrophobicContact CG2-CG 4.21Å; I643-R647 VanDerWaalsContact O-CB 3.3Å; I643-R647 WeakPolarHBondContact O-CB 3.26Å; I643-R647 WeakPolarHBondContact O-CG 3.39Å; I643-R647 PolarHBondContact O-N 3.02Å; D644-R647 IonicContact OD1-NH1 2.74Å; D644-R647 PolarHBondContact OD1-NH1 3.12Å; R647-H649 VanDerWaalsContact C-N 3.3Å; R647-H649 PolarHBondContact O-N 2.86Å; R647-Y650 PolarHBondContact O-N 2.98Å; R647-Q651 VanDerWaalsContact O-CB 3.24Å; R647-Q651 WeakPolarHBondContact O-CB 3.09Å; R647-Q651 PolarHBondContact O-N 2.72Å |
| 648 | A | 87.2 | Confident | 85.2 | Confident | 63 Ų | 63 | 94.6 Ų | 94.6 | 52% | 0.521 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.1 | -37 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D644 L645 E646 K652 | D644-A648 WeakPolarHBondContact O-CB 3.11Å; D644-A648 PolarHBondContact O-N 3.32Å; L645-A648 PolarHBondContact O-N 3.49Å; E646-A648 VanDerWaalsContact C-N 3.35Å; E646-A648 PolarHBondContact O-N 3.18Å; A648-K652 WeakPolarHBondContact O-CB 3.41Å; A648-K652 PolarHBondContact O-N 2.71Å; A648-K652 VanDerWaalsContact O-N 3.11Å |
| 649 | H | 86.7 | Confident | 86.2 | Confident | 108 Ų | 108 | 93.6 Ų | 93.6 | 50% | 0.5 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -66.1 | -52.1 | 173.8 | -118.9 | -75.6 | 0 | 0 | 0 | 112.2 | L645 E646 R647 Q651 K652 D653 | L645-H649 PolarHBondContact O-N 3.36Å; E646-H649 WeakPolarHBondContact O-CB 3.25Å; E646-H649 PolarHBondContact O-N 2.86Å; R647-H649 VanDerWaalsContact C-N 3.3Å; R647-H649 PolarHBondContact O-N 2.86Å; H649-Q651 VanDerWaalsContact C-N 3.31Å; H649-Q651 PolarHBondContact O-N 3.32Å; H649-K652 PolarHBondContact O-N 3.12Å; H649-D653 PolarHBondContact O-N 2.92Å |
| 650 | Y | 85.9 | Confident | 87.3 | Confident | 148 Ų | 148 | 95.9 Ų | 95.9 | 58% | 0.58 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -61.4 | -37.5 | 177.1 | -69.8 | -52.7 | 0 | 0 | 0 | 112.3 | E646 R647 D653 I654 | E646-Y650 HydrophobicContact CB-CD2 4.3Å; E646-Y650 HydrophobicContact CB-CE2 4.05Å; E646-Y650 HydrophobicContact CG-CD2 4.11Å; E646-Y650 HydrophobicContact CG-CE2 3.48Å; E646-Y650 VanDerWaalsContact CG-CE2 3.48Å; E646-Y650 WeakPolarHBondContact O-CD2 3.28Å; E646-Y650 PolarHBondContact O-N 3.2Å; R647-Y650 PolarHBondContact O-N 2.98Å; Y650-D653 PolarHBondContact O-N 3.39Å; Y650-I654 WeakPolarHBondContact O-CB 3.21Å; Y650-I654 WeakPolarHBondContact O-CD1 3.16Å; Y650-I654 WeakPolarHBondContact O-CG1 3.22Å; Y650-I654 PolarHBondContact O-N 3.3Å |
| 651 | Q | 90.1 | Very high | 87.9 | Confident | 99 Ų | 99 | 98.6 Ų | 98.6 | 46% | 0.463 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.6 | -46.9 | 175 | -173.5 | 61.8 | 52.7 | 0 | 0 | 110.8 | R647 H649 D653 I654 D655 | R647-Q651 VanDerWaalsContact O-CB 3.24Å; R647-Q651 WeakPolarHBondContact O-CB 3.09Å; R647-Q651 PolarHBondContact O-N 2.72Å; H649-Q651 VanDerWaalsContact C-N 3.31Å; H649-Q651 PolarHBondContact O-N 3.32Å; Q651-D653 VanDerWaalsContact C-N 3.3Å; Q651-D653 PolarHBondContact O-N 3.1Å; Q651-I654 WeakPolarHBondContact O-CB 3.43Å; Q651-I654 PolarHBondContact O-N 2.99Å; Q651-D655 PolarHBondContact NE2-OD1 2.97Å; Q651-D655 PolarHBondContact O-N 3.38Å |
| 652 | K | 88.8 | Confident | 88.6 | Confident | 148 Ų | 148 | 100 Ų | 100 | 64% | 0.643 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61 | -38.8 | 176.6 | -175.9 | 179.2 | 178.5 | -178.9 | 0 | 112.5 | A648 H649 L656 | A648-K652 WeakPolarHBondContact O-CB 3.41Å; A648-K652 PolarHBondContact O-N 2.71Å; A648-K652 VanDerWaalsContact O-N 3.11Å; H649-K652 PolarHBondContact O-N 3.12Å; K652-L656 WeakPolarHBondContact O-CB 3.46Å; K652-L656 PolarHBondContact O-N 3Å |
| 653 | D | 89.5 | Confident | 89.2 | Confident | 73 Ų | 73 | 100 Ų | 100 | 39% | 0.39 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -70.9 | -36.3 | 176.5 | -69.3 | -24.3 | 0 | 0 | 0 | 111.7 | H649 Y650 Q651 L657 | H649-D653 PolarHBondContact O-N 2.92Å; Y650-D653 PolarHBondContact O-N 3.39Å; Q651-D653 VanDerWaalsContact C-N 3.3Å; Q651-D653 PolarHBondContact O-N 3.1Å; D653-L657 WeakPolarHBondContact O-CB 3.48Å; D653-L657 WeakPolarHBondContact O-CG 3.45Å; D653-L657 PolarHBondContact O-N 3.38Å |
| 654 | I | 88.6 | Confident | 89.5 | Confident | 75 Ų | 75 | 99.5 Ų | 99.5 | 39% | 0.385 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.8 | -47.6 | 171.4 | -73.8 | 163 | 0 | 0 | 0 | 110.5 | Y650 Q651 L656 L657 Q658 | Y650-I654 WeakPolarHBondContact O-CB 3.21Å; Y650-I654 WeakPolarHBondContact O-CD1 3.16Å; Y650-I654 WeakPolarHBondContact O-CG1 3.22Å; Y650-I654 PolarHBondContact O-N 3.3Å; Q651-I654 WeakPolarHBondContact O-CB 3.43Å; Q651-I654 PolarHBondContact O-N 2.99Å; I654-L656 VanDerWaalsContact C-N 3.34Å; I654-L656 PolarHBondContact O-N 3.48Å; I654-L657 PolarHBondContact O-N 3.35Å; I654-Q658 HydrophobicContact CG2-CG 4.36Å; I654-Q658 WeakPolarHBondContact O-CB 3.19Å; I654-Q658 WeakPolarHBondContact O-CG 3.35Å; I654-Q658 PolarHBondContact O-N 3.33Å |
| 655 | D | 91.5 | Very high | 89.8 | Confident | 76 Ų | 76 | 99.6 Ų | 99.6 | 41% | 0.406 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.7 | -44.3 | 179.4 | -61.6 | -20.7 | 0 | 0 | 0 | 110.5 | Q651 L657 Q658 E659 | Q651-D655 PolarHBondContact NE2-OD1 2.97Å; Q651-D655 PolarHBondContact O-N 3.38Å; D655-L657 PolarHBondContact O-N 2.92Å; D655-Q658 PolarHBondContact O-N 2.76Å; D655-E659 PolarHBondContact O-N 3Å |
| 656 | L | 90.8 | Very high | 90.1 | Very high | 74 Ų | 74 | 101.3 Ų | 101.3 | 39% | 0.387 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.3 | -36.2 | 175.6 | -177 | 66.8 | 0 | 0 | 0 | 112.7 | K652 I654 K660 | K652-L656 WeakPolarHBondContact O-CB 3.46Å; K652-L656 PolarHBondContact O-N 3Å; I654-L656 VanDerWaalsContact C-N 3.34Å; I654-L656 PolarHBondContact O-N 3.48Å; L656-K660 HydrophobicContact CG-CD 4.49Å; L656-K660 WeakPolarHBondContact O-CB 3.41Å; L656-K660 VanDerWaalsContact O-CG 3.3Å; L656-K660 WeakPolarHBondContact O-CG 3.45Å; L656-K660 PolarHBondContact O-N 3.38Å |
| 657 | L | 90.3 | Very high | 90.4 | Very high | 115 Ų | 115 | 105.5 Ų | 105.5 | 60% | 0.602 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -71.7 | -36.2 | 174.8 | -75.8 | 170 | 0 | 0 | 0 | 111.8 | D653 I654 D655 K660 L661 | D653-L657 WeakPolarHBondContact O-CB 3.48Å; D653-L657 WeakPolarHBondContact O-CG 3.45Å; D653-L657 PolarHBondContact O-N 3.38Å; I654-L657 PolarHBondContact O-N 3.35Å; D655-L657 PolarHBondContact O-N 2.92Å; L657-K660 PolarHBondContact O-N 2.97Å; L657-L661 VanDerWaalsContact O-CB 3.24Å; L657-L661 WeakPolarHBondContact O-CB 3.4Å; L657-L661 PolarHBondContact O-N 3.46Å |
| 658 | Q | 92.3 | Very high | 90.4 | Very high | 107 Ų | 107 | 105.5 Ų | 105.5 | 50% | 0.5 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.7 | -42.9 | 172.8 | -73.6 | 179.7 | 12.4 | 0 | 0 | 111.3 | I654 D655 L661 I662 | I654-Q658 HydrophobicContact CG2-CG 4.36Å; I654-Q658 WeakPolarHBondContact O-CB 3.19Å; I654-Q658 WeakPolarHBondContact O-CG 3.35Å; I654-Q658 PolarHBondContact O-N 3.33Å; D655-Q658 PolarHBondContact O-N 2.76Å; Q658-L661 PolarHBondContact O-N 2.84Å; Q658-I662 WeakPolarHBondContact O-CB 3.08Å; Q658-I662 VanDerWaalsContact O-CG1 3.25Å; Q658-I662 WeakPolarHBondContact O-CG1 3.34Å; Q658-I662 PolarHBondContact O-N 3.43Å |
| 659 | E | 92.2 | Very high | 90.7 | Very high | 130 Ų | 130 | 105.6 Ų | 105.6 | 61% | 0.607 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.3 | -48.8 | 174 | -175.6 | 177.9 | -151 | 0 | 0 | 111.3 | D655 L661 I662 E663 | D655-E659 PolarHBondContact O-N 3Å; E659-L661 VanDerWaalsContact C-N 3.32Å; E659-L661 PolarHBondContact O-N 3.33Å; E659-I662 PolarHBondContact O-N 3.11Å; E659-E663 PolarHBondContact O-N 3.46Å |
| 660 | K | 93.2 | Very high | 90.8 | Very high | 115 Ų | 115 | 102.7 Ų | 102.7 | 50% | 0.5 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.3 | -36.7 | 175.4 | -74.8 | 173 | -178.7 | 174.8 | 0 | 113 | L656 L657 E663 S664 | L656-K660 HydrophobicContact CG-CD 4.49Å; L656-K660 WeakPolarHBondContact O-CB 3.41Å; L656-K660 VanDerWaalsContact O-CG 3.3Å; L656-K660 WeakPolarHBondContact O-CG 3.45Å; L656-K660 PolarHBondContact O-N 3.38Å; L657-K660 PolarHBondContact O-N 2.97Å; K660-E663 PolarHBondContact O-N 2.99Å; K660-S664 WeakPolarHBondContact O-CB 3.48Å; K660-S664 PolarHBondContact O-N 2.79Å |
| 661 | L | 91.9 | Very high | 91 | Very high | 114 Ų | 114 | 99.3 Ų | 99.3 | 60% | 0.597 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.6 | -45.4 | 175.5 | -178.8 | 63.8 | 0 | 0 | 0 | 110.7 | L657 Q658 E659 E663 S664 T665 | L657-L661 VanDerWaalsContact O-CB 3.24Å; L657-L661 WeakPolarHBondContact O-CB 3.4Å; L657-L661 PolarHBondContact O-N 3.46Å; Q658-L661 PolarHBondContact O-N 2.84Å; E659-L661 VanDerWaalsContact C-N 3.32Å; E659-L661 PolarHBondContact O-N 3.33Å; L661-E663 VanDerWaalsContact C-N 3.34Å; L661-E663 PolarHBondContact O-N 2.87Å; L661-S664 PolarHBondContact O-N 3.26Å; L661-T665 WeakPolarHBondContact O-CB 3.5Å; L661-T665 PolarHBondContact O-N 3.08Å; L661-T665 PolarHBondContact O-OG1 2.74Å |
| 662 | I | 93.4 | Very high | 91 | Very high | 95 Ų | 95 | 98.7 Ų | 98.7 | 49% | 0.487 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.2 | -44.5 | 175.1 | -70.7 | 163.4 | 0 | 0 | 0 | 110.5 | Q658 E659 T665 K666 | Q658-I662 WeakPolarHBondContact O-CB 3.08Å; Q658-I662 VanDerWaalsContact O-CG1 3.25Å; Q658-I662 WeakPolarHBondContact O-CG1 3.34Å; Q658-I662 PolarHBondContact O-N 3.43Å; E659-I662 PolarHBondContact O-N 3.11Å; I662-T665 PolarHBondContact O-N 3.49Å; I662-K666 HydrophobicContact CG2-CD 4.28Å; I662-K666 WeakPolarHBondContact O-CG 3.39Å; I662-K666 PolarHBondContact O-N 2.96Å |
| 663 | E | 91.9 | Very high | 91 | Very high | 94 Ų | 94 | 96.1 Ų | 96.1 | 44% | 0.439 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -69.3 | -40.6 | 179.3 | -157.6 | -171.8 | -171.9 | 0 | 0 | 112.3 | E659 K660 L661 T665 K666 R667 | E659-E663 PolarHBondContact O-N 3.46Å; K660-E663 PolarHBondContact O-N 2.99Å; L661-E663 VanDerWaalsContact C-N 3.34Å; L661-E663 PolarHBondContact O-N 2.87Å; E663-T665 VanDerWaalsContact C-N 3.34Å; E663-T665 PolarHBondContact O-N 2.78Å; E663-K666 PolarHBondContact O-N 2.89Å; E663-R667 VanDerWaalsContact CD-CZ 3.5Å; E663-R667 WeakPolarHBondContact O-CG 3.41Å; E663-R667 PolarHBondContact O-N 3.39Å; E663-R667 IonicContact OE1-CZ 3.23Å; E663-R667 IonicContact OE1-NE 3.15Å; E663-R667 IonicContact OE1-NH2 2.78Å; E663-R667 PolarHBondContact OE1-NH2 3.35Å; E663-R667 IonicContact OE2-CZ 2.71Å; E663-R667 IonicContact OE2-NH1 3.1Å; E663-R667 IonicContact OE2-NH2 3.49Å; E663-R667 PolarHBondContact OE2-NH2 2.76Å |
| 664 | S | 90.4 | Very high | 91 | Very high | 61 Ų | 61 | 98.8 Ų | 98.8 | 43% | 0.427 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.1 | -42.7 | 173.1 | -170.8 | 0 | 0 | 0 | 0 | 111.6 | K660 L661 R667 Y668 | K660-S664 WeakPolarHBondContact O-CB 3.48Å; K660-S664 PolarHBondContact O-N 2.79Å; L661-S664 PolarHBondContact O-N 3.26Å; S664-R667 PolarHBondContact O-N 2.91Å; S664-Y668 PolarHBondContact O-N 2.56Å |
| 665 | T | 92.8 | Very high | 91 | Very high | 76 Ų | 76 | 101.6 Ų | 101.6 | 47% | 0.466 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 175.5 | -60.6 | 0 | 0 | 0 | 0 | 111 | L661 I662 E663 R667 Y668 T669 | L661-T665 WeakPolarHBondContact O-CB 3.5Å; L661-T665 PolarHBondContact O-N 3.08Å; L661-T665 PolarHBondContact O-OG1 2.74Å; I662-T665 PolarHBondContact O-N 3.49Å; E663-T665 VanDerWaalsContact C-N 3.34Å; E663-T665 PolarHBondContact O-N 2.78Å; T665-R667 VanDerWaalsContact C-N 3.34Å; T665-R667 PolarHBondContact O-N 2.69Å; T665-Y668 PolarHBondContact O-N 3.15Å; T665-Y668 VanDerWaalsContact O-N 3.17Å; T665-T669 PolarHBondContact O-N 3.08Å; T665-T669 PolarHBondContact O-OG1 2.71Å |
| 666 | K | 92.1 | Very high | 91.1 | Very high | 136 Ų | 136 | 104.6 Ų | 104.6 | 59% | 0.591 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.9 | -41.6 | 174.8 | -75.3 | 171.5 | -179.5 | 176.3 | 0 | 112.7 | I662 E663 T669 A670 | I662-K666 HydrophobicContact CG2-CD 4.28Å; I662-K666 WeakPolarHBondContact O-CG 3.39Å; I662-K666 PolarHBondContact O-N 2.96Å; E663-K666 PolarHBondContact O-N 2.89Å; K666-T669 WeakPolarHBondContact CA-OG1 3.43Å; K666-T669 PolarHBondContact O-OG1 3.28Å; K666-A670 WeakPolarHBondContact O-CB 3.38Å; K666-A670 PolarHBondContact O-N 3.46Å |
| 667 | R | 90.5 | Very high | 91 | Very high | 153 Ų | 153 | 105.9 Ų | 105.9 | 58% | 0.577 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.3 | -39.6 | 175.4 | -69.3 | 176.6 | -170.2 | 142.1 | 2.8 | 111.6 | E663 S664 T665 A670 L671 | E663-R667 VanDerWaalsContact CD-CZ 3.5Å; E663-R667 WeakPolarHBondContact O-CG 3.41Å; E663-R667 PolarHBondContact O-N 3.39Å; E663-R667 IonicContact OE1-CZ 3.23Å; E663-R667 IonicContact OE1-NE 3.15Å; E663-R667 IonicContact OE1-NH2 2.78Å; E663-R667 PolarHBondContact OE1-NH2 3.35Å; E663-R667 IonicContact OE2-CZ 2.71Å; E663-R667 IonicContact OE2-NH1 3.1Å; E663-R667 IonicContact OE2-NH2 3.49Å; E663-R667 PolarHBondContact OE2-NH2 2.76Å; S664-R667 PolarHBondContact O-N 2.91Å; T665-R667 VanDerWaalsContact C-N 3.34Å; T665-R667 PolarHBondContact O-N 2.69Å; R667-A670 PolarHBondContact O-N 3.29Å; R667-L671 WeakPolarHBondContact O-CB 3.35Å; R667-L671 PolarHBondContact O-N 3.32Å |
| 668 | Y | 89.1 | Confident | 90.9 | Very high | 155 Ų | 155 | 103 Ų | 103 | 61% | 0.608 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.3 | -44.5 | 174.8 | -120.1 | -87.4 | 0 | 0 | 0 | 112.2 | S664 T665 L671 E672 | S664-Y668 PolarHBondContact O-N 2.56Å; T665-Y668 PolarHBondContact O-N 3.15Å; T665-Y668 VanDerWaalsContact O-N 3.17Å; Y668-L671 PolarHBondContact O-N 3.23Å; Y668-E672 PolarHBondContact O-N 3.44Å |
| 669 | T | 92.2 | Very high | 90.7 | Very high | 66 Ų | 66 | 104 Ų | 104 | 41% | 0.405 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.8 | -38.2 | 177 | 51.1 | 0 | 0 | 0 | 0 | 112.3 | T665 K666 L671 E672 D673 | T665-T669 PolarHBondContact O-N 3.08Å; T665-T669 PolarHBondContact O-OG1 2.71Å; K666-T669 WeakPolarHBondContact CA-OG1 3.43Å; K666-T669 PolarHBondContact O-OG1 3.28Å; T669-L671 VanDerWaalsContact C-N 3.34Å; T669-E672 PolarHBondContact O-N 2.96Å; T669-D673 PolarHBondContact O-N 2.94Å |
| 670 | A | 89.9 | Confident | 90.7 | Very high | 47 Ų | 47 | 104.6 Ų | 104.6 | 39% | 0.388 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.5 | -42.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | K666 R667 D673 E674 | K666-A670 WeakPolarHBondContact O-CB 3.38Å; K666-A670 PolarHBondContact O-N 3.46Å; R667-A670 PolarHBondContact O-N 3.29Å; A670-D673 PolarHBondContact O-N 2.91Å; A670-E674 WeakPolarHBondContact O-CG 3.33Å; A670-E674 PolarHBondContact O-N 3Å |
| 671 | L | 88.9 | Confident | 90.4 | Very high | 77 Ų | 77 | 102.8 Ų | 102.8 | 40% | 0.403 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.7 | -39.3 | 175.3 | -172 | 68.4 | 0 | 0 | 0 | 112.1 | R667 Y668 T669 D673 E674 F675 | R667-L671 WeakPolarHBondContact O-CB 3.35Å; R667-L671 PolarHBondContact O-N 3.32Å; Y668-L671 PolarHBondContact O-N 3.23Å; T669-L671 VanDerWaalsContact C-N 3.34Å; L671-D673 VanDerWaalsContact C-N 3.34Å; L671-E674 PolarHBondContact O-N 3.34Å; L671-F675 HydrophobicContact CD1-CD2 4.41Å; L671-F675 HydrophobicContact CD1-CE2 4.06Å; L671-F675 HydrophobicContact CD2-CE2 4.21Å; L671-F675 HydrophobicContact CG-CD2 4.01Å; L671-F675 HydrophobicContact CG-CE2 3.82Å; L671-F675 WeakPolarHBondContact O-CD2 3.43Å; L671-F675 PolarHBondContact O-N 2.96Å |
| 672 | E | 90.6 | Very high | 90.2 | Very high | 85 Ų | 85 | 102.5 Ų | 102.5 | 40% | 0.397 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61 | -41.8 | 171.4 | -79 | -170.6 | -151.9 | 0 | 0 | 112.2 | Y668 T669 F675 R676 | Y668-E672 PolarHBondContact O-N 3.44Å; T669-E672 PolarHBondContact O-N 2.96Å; E672-F675 PolarHBondContact O-N 2.77Å; E672-R676 WeakPolarHBondContact O-CB 3.2Å; E672-R676 WeakPolarHBondContact O-CD 3.24Å; E672-R676 WeakPolarHBondContact O-CG 3.41Å; E672-R676 PolarHBondContact O-N 2.78Å; E672-R676 IonicContact OE2-CZ 2.88Å; E672-R676 IonicContact OE2-NE 2.72Å; E672-R676 IonicContact OE2-NH2 2.94Å; E672-R676 PolarHBondContact OE2-NH2 3.06Å |
| 673 | D | 90.1 | Very high | 90.1 | Very high | 95 Ų | 95 | 100.8 Ų | 100.8 | 51% | 0.508 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.5 | -36.5 | 177.2 | -74.8 | -28.7 | 0 | 0 | 0 | 111.9 | T669 A670 L671 R676 M677 | T669-D673 PolarHBondContact O-N 2.94Å; A670-D673 PolarHBondContact O-N 2.91Å; L671-D673 VanDerWaalsContact C-N 3.34Å; D673-R676 PolarHBondContact O-N 3.23Å; D673-M677 WeakPolarHBondContact O-CB 3.28Å; D673-M677 PolarHBondContact O-N 2.91Å |
| 674 | E | 89 | Confident | 90.1 | Very high | 129 Ų | 129 | 101.4 Ų | 101.4 | 60% | 0.603 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.3 | -47 | 169.6 | -74.9 | 175.7 | -172 | 0 | 0 | 111.8 | A670 L671 R676 M677 A678 | A670-E674 WeakPolarHBondContact O-CG 3.33Å; A670-E674 PolarHBondContact O-N 3Å; L671-E674 PolarHBondContact O-N 3.34Å; E674-R676 PolarHBondContact O-N 3.1Å; E674-M677 PolarHBondContact O-N 3.28Å; E674-A678 WeakPolarHBondContact O-CB 3.09Å; E674-A678 PolarHBondContact O-N 2.97Å |
| 675 | F | 89.1 | Confident | 90.1 | Very high | 134 Ų | 134 | 106 Ų | 106 | 59% | 0.588 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.2 | -41 | 175.1 | -85.4 | -66.2 | 0 | 0 | 0 | 112.4 | L671 E672 M677 A678 L679 | L671-F675 HydrophobicContact CD1-CD2 4.41Å; L671-F675 HydrophobicContact CD1-CE2 4.06Å; L671-F675 HydrophobicContact CD2-CE2 4.21Å; L671-F675 HydrophobicContact CG-CD2 4.01Å; L671-F675 HydrophobicContact CG-CE2 3.82Å; L671-F675 WeakPolarHBondContact O-CD2 3.43Å; L671-F675 PolarHBondContact O-N 2.96Å; E672-F675 PolarHBondContact O-N 2.77Å; F675-M677 VanDerWaalsContact C-N 3.33Å; F675-M677 PolarHBondContact O-N 3.26Å; F675-A678 PolarHBondContact O-N 2.92Å; F675-L679 WeakPolarHBondContact O-CB 3.44Å; F675-L679 WeakPolarHBondContact O-CG 3.4Å; F675-L679 PolarHBondContact O-N 3.27Å |
| 676 | R | 91.9 | Very high | 90 | Very high | 139 Ų | 139 | 109.7 Ų | 109.7 | 53% | 0.525 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.7 | -36.8 | 175.5 | -70.3 | 163.8 | -167.8 | -147.6 | 8.4 | 111.7 | E672 D673 E674 R680 | E672-R676 WeakPolarHBondContact O-CB 3.2Å; E672-R676 WeakPolarHBondContact O-CD 3.24Å; E672-R676 WeakPolarHBondContact O-CG 3.41Å; E672-R676 PolarHBondContact O-N 2.78Å; E672-R676 IonicContact OE2-CZ 2.88Å; E672-R676 IonicContact OE2-NE 2.72Å; E672-R676 IonicContact OE2-NH2 2.94Å; E672-R676 PolarHBondContact OE2-NH2 3.06Å; D673-R676 PolarHBondContact O-N 3.23Å; E674-R676 PolarHBondContact O-N 3.1Å; R676-R680 WeakPolarHBondContact O-CB 3.45Å; R676-R680 PolarHBondContact O-N 2.79Å; R676-R680 VanDerWaalsContact O-N 3.13Å |
| 677 | M | 89.2 | Confident | 90.1 | Very high | 100 Ų | 100 | 108 Ų | 108 | 49% | 0.493 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68 | -45.5 | 174.5 | -169 | 70.9 | 87.3 | 0 | 0 | 111 | D673 E674 F675 L679 R680 I681 | D673-M677 WeakPolarHBondContact O-CB 3.28Å; D673-M677 PolarHBondContact O-N 2.91Å; E674-M677 PolarHBondContact O-N 3.28Å; F675-M677 VanDerWaalsContact C-N 3.33Å; F675-M677 PolarHBondContact O-N 3.26Å; M677-L679 PolarHBondContact O-N 3.24Å; M677-R680 WeakPolarHBondContact O-CB 3.18Å; M677-R680 PolarHBondContact O-N 2.92Å; M677-R680 VanDerWaalsContact O-N 3.13Å; M677-I681 HydrophobicContact CG-CD1 3.99Å; M677-I681 WeakPolarHBondContact O-CG1 3.45Å; M677-I681 PolarHBondContact O-N 3.43Å |
| 678 | A | 88.1 | Confident | 90.1 | Very high | 54 Ų | 54 | 104.6 Ų | 104.6 | 45% | 0.446 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60 | -44.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | E674 F675 R680 I681 E682 | E674-A678 WeakPolarHBondContact O-CB 3.09Å; E674-A678 PolarHBondContact O-N 2.97Å; F675-A678 PolarHBondContact O-N 2.92Å; A678-R680 VanDerWaalsContact C-N 3.29Å; A678-R680 PolarHBondContact O-N 2.83Å; A678-I681 PolarHBondContact O-N 3.16Å; A678-E682 WeakPolarHBondContact O-CB 3.39Å; A678-E682 PolarHBondContact O-N 3.32Å |
| 679 | L | 88.7 | Confident | 90.3 | Very high | 129 Ų | 129 | 102.6 Ų | 102.6 | 68% | 0.675 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.6 | -35.5 | 174.5 | -73.9 | 170.4 | 0 | 0 | 0 | 112.7 | F675 M677 A683 | F675-L679 WeakPolarHBondContact O-CB 3.44Å; F675-L679 WeakPolarHBondContact O-CG 3.4Å; F675-L679 PolarHBondContact O-N 3.27Å; M677-L679 PolarHBondContact O-N 3.24Å; L679-A683 WeakPolarHBondContact O-CB 3.45Å; L679-A683 PolarHBondContact O-N 3.46Å |
| 680 | R | 92.1 | Very high | 90.3 | Very high | 143 Ų | 143 | 103.4 Ų | 103.4 | 54% | 0.54 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.9 | -45.8 | 176.6 | -164.6 | -175.1 | -58.5 | 160.7 | 4.9 | 111.7 | R676 M677 A678 E682 A683 E684 | R676-R680 WeakPolarHBondContact O-CB 3.45Å; R676-R680 PolarHBondContact O-N 2.79Å; R676-R680 VanDerWaalsContact O-N 3.13Å; M677-R680 WeakPolarHBondContact O-CB 3.18Å; M677-R680 PolarHBondContact O-N 2.92Å; M677-R680 VanDerWaalsContact O-N 3.13Å; A678-R680 VanDerWaalsContact C-N 3.29Å; A678-R680 PolarHBondContact O-N 2.83Å; R680-E682 VanDerWaalsContact C-N 3.29Å; R680-E682 PolarHBondContact O-N 2.92Å; R680-A683 PolarHBondContact O-N 3.21Å; R680-E684 WeakPolarHBondContact O-CG 3.22Å; R680-E684 PolarHBondContact O-N 3.09Å |
| 681 | I | 87.5 | Confident | 90.5 | Very high | 76 Ų | 76 | 106.6 Ų | 106.6 | 39% | 0.39 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.4 | -41.2 | 175.2 | -68.3 | 165.5 | 0 | 0 | 0 | 110.7 | M677 A678 E684 R685 | M677-I681 HydrophobicContact CG-CD1 3.99Å; M677-I681 WeakPolarHBondContact O-CG1 3.45Å; M677-I681 PolarHBondContact O-N 3.43Å; A678-I681 PolarHBondContact O-N 3.16Å; I681-E684 PolarHBondContact O-N 3.29Å; I681-R685 WeakPolarHBondContact O-CB 3.37Å; I681-R685 VanDerWaalsContact O-CG 3.31Å; I681-R685 WeakPolarHBondContact O-CG 3.23Å; I681-R685 PolarHBondContact O-N 2.95Å |
| 682 | E | 87.2 | Confident | 90.6 | Very high | 109 Ų | 109 | 106.6 Ų | 106.6 | 51% | 0.509 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -71.6 | -34.6 | 179.3 | -162 | 59.3 | -158.6 | 0 | 0 | 112.3 | A678 R680 R685 Y686 | A678-E682 WeakPolarHBondContact O-CB 3.39Å; A678-E682 PolarHBondContact O-N 3.32Å; R680-E682 VanDerWaalsContact C-N 3.29Å; R680-E682 PolarHBondContact O-N 2.92Å; E682-R685 PolarHBondContact O-N 3.14Å; E682-R685 WeakPolarHBondContact OE2-CD 3.47Å; E682-R685 IonicContact OE2-NH1 3.74Å; E682-Y686 WeakPolarHBondContact O-CB 3.36Å; E682-Y686 PolarHBondContact O-N 2.99Å |
| 683 | A | 90.9 | Very high | 90.6 | Very high | 59 Ų | 59 | 105.8 Ų | 105.8 | 49% | 0.488 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.3 | -43.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L679 R680 R685 Y686 E687 | L679-A683 WeakPolarHBondContact O-CB 3.45Å; L679-A683 PolarHBondContact O-N 3.46Å; R680-A683 PolarHBondContact O-N 3.21Å; A683-R685 VanDerWaalsContact C-N 3.35Å; A683-R685 PolarHBondContact O-N 3.09Å; A683-Y686 PolarHBondContact O-N 3.14Å; A683-E687 WeakPolarHBondContact O-CB 3.39Å; A683-E687 PolarHBondContact O-N 3.38Å |
| 684 | E | 91.9 | Very high | 90.8 | Very high | 106 Ų | 106 | 105 Ų | 105 | 50% | 0.495 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.8 | -38 | 175.1 | -72.1 | 169.5 | -163.2 | 0 | 0 | 111.9 | R680 I681 E687 T688 | R680-E684 WeakPolarHBondContact O-CG 3.22Å; R680-E684 PolarHBondContact O-N 3.09Å; I681-E684 PolarHBondContact O-N 3.29Å; E684-E687 PolarHBondContact O-N 3Å; E684-T688 WeakPolarHBondContact O-CB 3.48Å; E684-T688 WeakPolarHBondContact O-CG2 3.45Å; E684-T688 PolarHBondContact O-N 3.33Å; E684-T688 PolarHBondContact O-OG1 3.3Å |
| 685 | R | 90.8 | Very high | 90.9 | Very high | 157 Ų | 157 | 103.8 Ų | 103.8 | 59% | 0.592 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.1 | -43.6 | 171.8 | -78.7 | 173.2 | 168.8 | -168.6 | -4.1 | 112.5 | I681 E682 A683 T688 L689 | I681-R685 WeakPolarHBondContact O-CB 3.37Å; I681-R685 VanDerWaalsContact O-CG 3.31Å; I681-R685 WeakPolarHBondContact O-CG 3.23Å; I681-R685 PolarHBondContact O-N 2.95Å; E682-R685 PolarHBondContact O-N 3.14Å; E682-R685 WeakPolarHBondContact OE2-CD 3.47Å; E682-R685 IonicContact OE2-NH1 3.74Å; A683-R685 VanDerWaalsContact C-N 3.35Å; A683-R685 PolarHBondContact O-N 3.09Å; R685-T688 WeakPolarHBondContact CA-OG1 3.36Å; R685-T688 PolarHBondContact O-N 3.34Å; R685-T688 PolarHBondContact O-OG1 2.9Å; R685-L689 VanDerWaalsContact O-CB 3.28Å; R685-L689 WeakPolarHBondContact O-CB 3.32Å; R685-L689 PolarHBondContact O-N 3.47Å |
| 686 | Y | 91 | Very high | 90.9 | Very high | 155 Ų | 155 | 101.1 Ų | 101.1 | 61% | 0.608 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.2 | -40.8 | 176.4 | -174.7 | -93.1 | 0 | 0 | 0 | 111.6 | E682 A683 L689 L690 | E682-Y686 WeakPolarHBondContact O-CB 3.36Å; E682-Y686 PolarHBondContact O-N 2.99Å; A683-Y686 PolarHBondContact O-N 3.14Å; Y686-L689 PolarHBondContact O-N 2.6Å; Y686-L690 WeakPolarHBondContact O-CB 3.29Å; Y686-L690 PolarHBondContact O-N 2.94Å |
| 687 | E | 93.8 | Very high | 91 | Very high | 101 Ų | 101 | 100.4 Ų | 100.4 | 47% | 0.472 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.9 | -41.6 | 176.8 | -166.9 | -172 | 151.4 | 0 | 0 | 112.2 | A683 E684 L690 K691 | A683-E687 WeakPolarHBondContact O-CB 3.39Å; A683-E687 PolarHBondContact O-N 3.38Å; E684-E687 PolarHBondContact O-N 3Å; E687-L690 PolarHBondContact O-N 3.1Å; E687-K691 HydrophobicContact CG-CD 4.39Å; E687-K691 WeakPolarHBondContact O-CB 3.42Å; E687-K691 WeakPolarHBondContact O-CG 3.29Å; E687-K691 PolarHBondContact O-N 3.28Å; E687-K691 VanDerWaalsContact OE1-CE 3.29Å; E687-K691 WeakPolarHBondContact OE1-CE 3.22Å; E687-K691 IonicContact OE1-NZ 4Å; E687-K691 PolarHBondContact OE1-NZ 2.92Å |
| 688 | T | 91 | Very high | 91.1 | Very high | 81 Ų | 81 | 99.9 Ų | 99.9 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.8 | -36.6 | 175.7 | 47.2 | 0 | 0 | 0 | 0 | 112.5 | E684 R685 K691 T692 | E684-T688 WeakPolarHBondContact O-CB 3.48Å; E684-T688 WeakPolarHBondContact O-CG2 3.45Å; E684-T688 PolarHBondContact O-N 3.33Å; E684-T688 PolarHBondContact O-OG1 3.3Å; R685-T688 WeakPolarHBondContact CA-OG1 3.36Å; R685-T688 PolarHBondContact O-N 3.34Å; R685-T688 PolarHBondContact O-OG1 2.9Å; T688-K691 PolarHBondContact O-N 3.49Å; T688-T692 WeakPolarHBondContact O-CB 3.4Å; T688-T692 WeakPolarHBondContact O-CG2 3.33Å; T688-T692 PolarHBondContact O-N 2.94Å; T688-T692 PolarHBondContact O-OG1 3.32Å |
| 689 | L | 91.6 | Very high | 91.2 | Very high | 113 Ų | 113 | 103.1 Ų | 103.1 | 59% | 0.592 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.8 | -40.8 | 171.4 | -177.4 | 62.5 | 0 | 0 | 0 | 112 | R685 Y686 T692 S693 | R685-L689 VanDerWaalsContact O-CB 3.28Å; R685-L689 WeakPolarHBondContact O-CB 3.32Å; R685-L689 PolarHBondContact O-N 3.47Å; Y686-L689 PolarHBondContact O-N 2.6Å; L689-T692 WeakPolarHBondContact CA-OG1 3.19Å; L689-T692 PolarHBondContact O-N 3.14Å; L689-T692 PolarHBondContact O-OG1 3.13Å; L689-S693 VanDerWaalsContact O-CB 3.28Å; L689-S693 WeakPolarHBondContact O-CB 3.15Å; L689-S693 PolarHBondContact O-N 3.29Å |
| 690 | L | 93.9 | Very high | 91.2 | Very high | 83 Ų | 83 | 101.4 Ų | 101.4 | 44% | 0.435 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65 | -46.9 | 176.8 | -171.8 | 66.5 | 0 | 0 | 0 | 111.2 | Y686 E687 T692 S693 D694 | Y686-L690 WeakPolarHBondContact O-CB 3.29Å; Y686-L690 PolarHBondContact O-N 2.94Å; E687-L690 PolarHBondContact O-N 3.1Å; L690-T692 VanDerWaalsContact C-N 3.35Å; L690-T692 PolarHBondContact O-N 2.99Å; L690-S693 WeakPolarHBondContact O-CB 3.41Å; L690-S693 PolarHBondContact O-N 2.89Å; L690-D694 PolarHBondContact O-N 3.38Å |
| 691 | K | 93.5 | Very high | 91.2 | Very high | 114 Ų | 114 | 98.3 Ų | 98.3 | 50% | 0.496 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.5 | -41.3 | 175.7 | -75.4 | 166.7 | 173.4 | 170.1 | 0 | 112.9 | E687 T688 L695 | E687-K691 HydrophobicContact CG-CD 4.39Å; E687-K691 WeakPolarHBondContact O-CB 3.42Å; E687-K691 WeakPolarHBondContact O-CG 3.29Å; E687-K691 PolarHBondContact O-N 3.28Å; E687-K691 VanDerWaalsContact OE1-CE 3.29Å; E687-K691 WeakPolarHBondContact OE1-CE 3.22Å; E687-K691 IonicContact OE1-NZ 4Å; E687-K691 PolarHBondContact OE1-NZ 2.92Å; T688-K691 PolarHBondContact O-N 3.49Å; K691-L695 WeakPolarHBondContact O-CB 3.31Å; K691-L695 WeakPolarHBondContact O-CG 3.37Å; K691-L695 PolarHBondContact O-N 3.31Å |
| 692 | T | 90.7 | Very high | 91.4 | Very high | 77 Ų | 77 | 99.3 Ų | 99.3 | 47% | 0.472 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -72.8 | -34.9 | 177.8 | 47.5 | 0 | 0 | 0 | 0 | 112.4 | T688 L689 L690 L695 C696 | T688-T692 WeakPolarHBondContact O-CB 3.4Å; T688-T692 WeakPolarHBondContact O-CG2 3.33Å; T688-T692 PolarHBondContact O-N 2.94Å; T688-T692 PolarHBondContact O-OG1 3.32Å; L689-T692 WeakPolarHBondContact CA-OG1 3.19Å; L689-T692 PolarHBondContact O-N 3.14Å; L689-T692 PolarHBondContact O-OG1 3.13Å; L690-T692 VanDerWaalsContact C-N 3.35Å; L690-T692 PolarHBondContact O-N 2.99Å; T692-L695 PolarHBondContact O-N 3.36Å; T692-C696 VanDerWaalsContact O-CB 3.31Å; T692-C696 WeakPolarHBondContact O-CB 3.49Å; T692-C696 PolarHBondContact O-N 3.15Å |
| 693 | S | 91.4 | Very high | 91.4 | Very high | 68 Ų | 68 | 97.8 Ų | 97.8 | 48% | 0.476 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61 | -46.4 | 170.1 | -177.6 | 0 | 0 | 0 | 0 | 112 | L689 L690 C696 K697 | L689-S693 VanDerWaalsContact O-CB 3.28Å; L689-S693 WeakPolarHBondContact O-CB 3.15Å; L689-S693 PolarHBondContact O-N 3.29Å; L690-S693 WeakPolarHBondContact O-CB 3.41Å; L690-S693 PolarHBondContact O-N 2.89Å; S693-C696 PolarHBondContact O-N 2.98Å; S693-K697 VanDerWaalsContact O-CB 3.31Å; S693-K697 WeakPolarHBondContact O-CB 3.36Å; S693-K697 PolarHBondContact O-N 3.14Å |
| 694 | D | 92.9 | Very high | 91.5 | Very high | 77 Ų | 77 | 100.2 Ų | 100.2 | 41% | 0.412 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.8 | -38.8 | 177.3 | -77.1 | -31.1 | 0 | 0 | 0 | 112.4 | L690 K697 N698 | L690-D694 PolarHBondContact O-N 3.38Å; D694-K697 PolarHBondContact O-N 2.96Å; D694-N698 WeakPolarHBondContact O-CB 3.41Å; D694-N698 PolarHBondContact O-N 2.85Å; D694-N698 PolarHBondContact O-ND2 3.42Å; D694-N698 VanDerWaalsContact O-ND2 3.1Å |
| 695 | L | 92.4 | Very high | 91.5 | Very high | 105 Ų | 105 | 100 Ų | 100 | 55% | 0.55 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.1 | -51.9 | 171 | -80.1 | 165.5 | 0 | 0 | 0 | 111.5 | K691 T692 K697 N698 E699 | K691-L695 WeakPolarHBondContact O-CB 3.31Å; K691-L695 WeakPolarHBondContact O-CG 3.37Å; K691-L695 PolarHBondContact O-N 3.31Å; T692-L695 PolarHBondContact O-N 3.36Å; L695-K697 VanDerWaalsContact C-N 3.27Å; L695-K697 PolarHBondContact O-N 3.06Å; L695-N698 WeakPolarHBondContact O-CB 3.46Å; L695-N698 PolarHBondContact O-N 3.38Å; L695-E699 WeakPolarHBondContact O-CG 3.43Å; L695-E699 PolarHBondContact O-N 2.9Å |
| 696 | C | 89.3 | Confident | 91.4 | Very high | 77 Ų | 77 | 98 Ų | 98 | 52% | 0.52 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.5 | -34.9 | -179.7 | -167.4 | 0 | 0 | 0 | 0 | 112.1 | T692 S693 E699 L700 | T692-C696 VanDerWaalsContact O-CB 3.31Å; T692-C696 WeakPolarHBondContact O-CB 3.49Å; T692-C696 PolarHBondContact O-N 3.15Å; S693-C696 PolarHBondContact O-N 2.98Å; C696-E699 PolarHBondContact O-N 3.1Å; C696-L700 WeakPolarHBondContact O-CB 3.18Å; C696-L700 PolarHBondContact O-N 3.44Å |
| 697 | K | 92 | Very high | 91.3 | Very high | 124 Ų | 124 | 95.7 Ų | 95.7 | 54% | 0.539 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.7 | -38.3 | 172.7 | -173.3 | -180 | -179.8 | -176 | 0 | 112.6 | S693 D694 L695 L700 N701 | S693-K697 VanDerWaalsContact O-CB 3.31Å; S693-K697 WeakPolarHBondContact O-CB 3.36Å; S693-K697 PolarHBondContact O-N 3.14Å; D694-K697 PolarHBondContact O-N 2.96Å; L695-K697 VanDerWaalsContact C-N 3.27Å; L695-K697 PolarHBondContact O-N 3.06Å; K697-L700 PolarHBondContact O-N 3.27Å; K697-N701 VanDerWaalsContact O-CG 3.23Å; K697-N701 PolarHBondContact O-N 3.03Å; K697-N701 PolarHBondContact O-ND2 3.38Å |
| 698 | N | 92 | Very high | 91.3 | Very high | 90 Ų | 90 | 96.9 Ų | 96.9 | 48% | 0.481 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.1 | -38.6 | 174.7 | -70.3 | -31.8 | 0 | 0 | 0 | 111.9 | D694 L695 N701 N702 | D694-N698 WeakPolarHBondContact O-CB 3.41Å; D694-N698 PolarHBondContact O-N 2.85Å; D694-N698 PolarHBondContact O-ND2 3.42Å; D694-N698 VanDerWaalsContact O-ND2 3.1Å; L695-N698 WeakPolarHBondContact O-CB 3.46Å; L695-N698 PolarHBondContact O-N 3.38Å; N698-N701 PolarHBondContact O-N 3.05Å; N698-N702 WeakPolarHBondContact O-CB 3.47Å; N698-N702 PolarHBondContact O-N 3.5Å |
| 699 | E | 89.7 | Confident | 91.3 | Very high | 121 Ų | 121 | 97.2 Ų | 97.2 | 57% | 0.565 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.7 | -41.8 | 171.5 | -70.8 | 174.4 | 165.1 | 0 | 0 | 111.9 | L695 C696 N702 T703 | L695-E699 WeakPolarHBondContact O-CG 3.43Å; L695-E699 PolarHBondContact O-N 2.9Å; C696-E699 PolarHBondContact O-N 3.1Å; E699-N702 PolarHBondContact O-N 2.84Å; E699-T703 WeakPolarHBondContact O-CB 3.46Å; E699-T703 WeakPolarHBondContact O-CG2 3.21Å; E699-T703 PolarHBondContact O-N 2.86Å; E699-T703 PolarHBondContact O-OG1 3.4Å |
| 700 | L | 89.6 | Confident | 91.1 | Very high | 93 Ų | 93 | 96.6 Ų | 96.6 | 49% | 0.487 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.6 | -43.9 | 173.8 | -178.1 | 63.6 | 0 | 0 | 0 | 111.8 | C696 K697 T703 Q704 | C696-L700 WeakPolarHBondContact O-CB 3.18Å; C696-L700 PolarHBondContact O-N 3.44Å; K697-L700 PolarHBondContact O-N 3.27Å; L700-T703 WeakPolarHBondContact CA-OG1 3.32Å; L700-T703 PolarHBondContact O-OG1 3.11Å; L700-Q704 WeakPolarHBondContact O-CB 3.32Å; L700-Q704 VanDerWaalsContact O-CG 3.22Å; L700-Q704 WeakPolarHBondContact O-CG 3.4Å; L700-Q704 PolarHBondContact O-N 2.63Å |
| 701 | N | 92.7 | Very high | 90.9 | Very high | 79 Ų | 79 | 96.4 Ų | 96.4 | 42% | 0.422 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 175.8 | -70.5 | -22.9 | 0 | 0 | 0 | 111.9 | K697 N698 Q704 L705 | K697-N701 VanDerWaalsContact O-CG 3.23Å; K697-N701 PolarHBondContact O-N 3.03Å; K697-N701 PolarHBondContact O-ND2 3.38Å; N698-N701 PolarHBondContact O-N 3.05Å; N701-Q704 PolarHBondContact O-N 3.41Å; N701-L705 PolarHBondContact O-N 2.78Å |
| 702 | N | 91.4 | Very high | 90.8 | Very high | 97 Ų | 97 | 95.3 Ų | 95.3 | 52% | 0.519 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.6 | -43.5 | 177.9 | -77.6 | -16.2 | 0 | 0 | 0 | 112 | N698 E699 L705 Q706 | N698-N702 WeakPolarHBondContact O-CB 3.47Å; N698-N702 PolarHBondContact O-N 3.5Å; E699-N702 PolarHBondContact O-N 2.84Å; N702-L705 WeakPolarHBondContact O-CB 3.5Å; N702-L705 PolarHBondContact O-N 2.99Å; N702-Q706 WeakPolarHBondContact O-CG 3.39Å; N702-Q706 PolarHBondContact O-N 2.89Å |
| 703 | T | 86.6 | Confident | 90.6 | Very high | 76 Ų | 76 | 98 Ų | 98 | 47% | 0.466 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.1 | -34.5 | 177.1 | 49.7 | 0 | 0 | 0 | 0 | 112.3 | E699 L700 L707 | E699-T703 WeakPolarHBondContact O-CB 3.46Å; E699-T703 WeakPolarHBondContact O-CG2 3.21Å; E699-T703 PolarHBondContact O-N 2.86Å; E699-T703 PolarHBondContact O-OG1 3.4Å; L700-T703 WeakPolarHBondContact CA-OG1 3.32Å; L700-T703 PolarHBondContact O-OG1 3.11Å; T703-L707 VanDerWaalsContact O-CB 3.29Å; T703-L707 WeakPolarHBondContact O-CB 3.4Å; T703-L707 PolarHBondContact O-N 2.82Å |
| 704 | Q | 92.4 | Very high | 90.5 | Very high | 110 Ų | 110 | 99.3 Ų | 99.3 | 51% | 0.514 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.3 | -40.5 | 170.1 | -75.1 | 175.1 | 10.1 | 0 | 0 | 112.6 | L700 N701 L707 K708 | L700-Q704 WeakPolarHBondContact O-CB 3.32Å; L700-Q704 VanDerWaalsContact O-CG 3.22Å; L700-Q704 WeakPolarHBondContact O-CG 3.4Å; L700-Q704 PolarHBondContact O-N 2.63Å; N701-Q704 PolarHBondContact O-N 3.41Å; Q704-L707 PolarHBondContact O-N 2.9Å; Q704-K708 PolarHBondContact O-N 2.76Å; Q704-K708 VanDerWaalsContact O-N 3.11Å |
| 705 | L | 92.5 | Very high | 90.4 | Very high | 103 Ų | 103 | 101.7 Ų | 101.7 | 54% | 0.539 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.5 | -49.7 | 175.5 | -163.4 | 94 | 0 | 0 | 0 | 111 | N701 N702 L707 K708 E709 | N701-L705 PolarHBondContact O-N 2.78Å; N702-L705 WeakPolarHBondContact O-CB 3.5Å; N702-L705 PolarHBondContact O-N 2.99Å; L705-L707 VanDerWaalsContact C-N 3.31Å; L705-L707 PolarHBondContact O-N 2.81Å; L705-K708 WeakPolarHBondContact O-CB 3.23Å; L705-K708 PolarHBondContact O-N 3.32Å; L705-K708 VanDerWaalsContact O-N 3.08Å; L705-E709 PolarHBondContact O-N 2.92Å |
| 706 | Q | 89.3 | Confident | 90.3 | Very high | 113 Ų | 113 | 100.1 Ų | 100.1 | 53% | 0.528 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.7 | -39.3 | 176.8 | -73.1 | 174.7 | -7.3 | 0 | 0 | 112.3 | N702 K708 E709 M710 | N702-Q706 WeakPolarHBondContact O-CG 3.39Å; N702-Q706 PolarHBondContact O-N 2.89Å; Q706-K708 VanDerWaalsContact C-N 3.32Å; Q706-K708 PolarHBondContact O-N 2.92Å; Q706-E709 PolarHBondContact O-N 2.96Å; Q706-M710 WeakPolarHBondContact O-CB 3.25Å; Q706-M710 VanDerWaalsContact O-CG 3.31Å; Q706-M710 WeakPolarHBondContact O-CG 3.43Å; Q706-M710 PolarHBondContact O-N 2.85Å |
| 707 | L | 89.4 | Confident | 90.2 | Very high | 108 Ų | 108 | 98.6 Ų | 98.6 | 57% | 0.565 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.9 | -40.4 | 174.9 | 179.8 | 62.3 | 0 | 0 | 0 | 111.5 | T703 Q704 L705 M710 I711 | T703-L707 VanDerWaalsContact O-CB 3.29Å; T703-L707 WeakPolarHBondContact O-CB 3.4Å; T703-L707 PolarHBondContact O-N 2.82Å; Q704-L707 PolarHBondContact O-N 2.9Å; L705-L707 VanDerWaalsContact C-N 3.31Å; L705-L707 PolarHBondContact O-N 2.81Å; L707-M710 WeakPolarHBondContact O-CB 3.39Å; L707-M710 PolarHBondContact O-N 3.11Å; L707-I711 HydrophobicContact CD1-CD1 4.45Å; L707-I711 HydrophobicContact CG-CD1 4.23Å; L707-I711 WeakPolarHBondContact O-CG1 3.46Å; L707-I711 PolarHBondContact O-N 3.2Å |
| 708 | K | 92.3 | Very high | 90 | Very high | 125 Ų | 125 | 99.7 Ų | 99.7 | 54% | 0.543 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.5 | -46.9 | 175.7 | -166.7 | -175.5 | 179.9 | -104 | 0 | 111.7 | Q704 L705 Q706 M710 I711 E712 | Q704-K708 PolarHBondContact O-N 2.76Å; Q704-K708 VanDerWaalsContact O-N 3.11Å; L705-K708 WeakPolarHBondContact O-CB 3.23Å; L705-K708 PolarHBondContact O-N 3.32Å; L705-K708 VanDerWaalsContact O-N 3.08Å; Q706-K708 VanDerWaalsContact C-N 3.32Å; Q706-K708 PolarHBondContact O-N 2.92Å; K708-M710 VanDerWaalsContact C-N 3.26Å; K708-M710 PolarHBondContact O-N 3.14Å; K708-I711 PolarHBondContact O-N 3.12Å; K708-I711 VanDerWaalsContact O-N 3.16Å; K708-E712 WeakPolarHBondContact CE-OE1 3.48Å; K708-E712 IonicContact NZ-OE1 3.89Å; K708-E712 PolarHBondContact NZ-OE1 3.07Å; K708-E712 WeakPolarHBondContact O-CG 3.41Å; K708-E712 PolarHBondContact O-N 2.97Å |
| 709 | E | 91.4 | Very high | 89.8 | Confident | 88 Ų | 88 | 98.5 Ų | 98.5 | 41% | 0.411 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.2 | -31.9 | 175.4 | -68.3 | 176 | -179.7 | 0 | 0 | 113 | L705 Q706 R713 | L705-E709 PolarHBondContact O-N 2.92Å; Q706-E709 PolarHBondContact O-N 2.96Å; E709-R713 WeakPolarHBondContact O-CB 3.39Å; E709-R713 WeakPolarHBondContact O-CG 3.33Å; E709-R713 PolarHBondContact O-N 3.46Å; E709-R713 VanDerWaalsContact O-N 3.13Å; E709-R713 PolarHBondContact O-NE 2.89Å |
| 710 | M | 87 | Confident | 89.7 | Confident | 101 Ų | 101 | 97.7 Ų | 97.7 | 50% | 0.498 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68.2 | -41.6 | 173.5 | -80.4 | -62.3 | -49 | 0 | 0 | 111.7 | Q706 L707 K708 R713 E714 | Q706-M710 WeakPolarHBondContact O-CB 3.25Å; Q706-M710 VanDerWaalsContact O-CG 3.31Å; Q706-M710 WeakPolarHBondContact O-CG 3.43Å; Q706-M710 PolarHBondContact O-N 2.85Å; L707-M710 WeakPolarHBondContact O-CB 3.39Å; L707-M710 PolarHBondContact O-N 3.11Å; K708-M710 VanDerWaalsContact C-N 3.26Å; K708-M710 PolarHBondContact O-N 3.14Å; M710-R713 PolarHBondContact O-N 3.16Å; M710-R713 PolarHBondContact SD-NH1 3.09Å; M710-R713 PolarHBondContact SD-NH2 2.91Å; M710-R713 VanDerWaalsContact SD-NH2 3.36Å; M710-E714 WeakPolarHBondContact O-CB 3.4Å; M710-E714 PolarHBondContact O-N 3.17Å |
| 711 | I | 89.6 | Confident | 89.4 | Confident | 79 Ų | 79 | 98 Ų | 98 | 41% | 0.405 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.6 | -47.2 | 176.6 | -68.2 | 162.3 | 0 | 0 | 0 | 110.6 | L707 K708 R713 E714 E715 | L707-I711 HydrophobicContact CD1-CD1 4.45Å; L707-I711 HydrophobicContact CG-CD1 4.23Å; L707-I711 WeakPolarHBondContact O-CG1 3.46Å; L707-I711 PolarHBondContact O-N 3.2Å; K708-I711 PolarHBondContact O-N 3.12Å; K708-I711 VanDerWaalsContact O-N 3.16Å; I711-R713 VanDerWaalsContact C-N 3.28Å; I711-R713 PolarHBondContact O-N 2.86Å; I711-E714 WeakPolarHBondContact O-CB 3.37Å; I711-E714 PolarHBondContact O-N 2.97Å; I711-E715 WeakPolarHBondContact O-CG 3.29Å; I711-E715 PolarHBondContact O-N 2.66Å |
| 712 | E | 92.1 | Very high | 89.2 | Confident | 90 Ų | 90 | 100.9 Ų | 100.9 | 42% | 0.421 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.5 | -37.4 | 177.6 | -69.3 | 173.6 | -172.8 | 0 | 0 | 111.8 | K708 S716 | K708-E712 WeakPolarHBondContact CE-OE1 3.48Å; K708-E712 IonicContact NZ-OE1 3.89Å; K708-E712 PolarHBondContact NZ-OE1 3.07Å; K708-E712 WeakPolarHBondContact O-CG 3.41Å; K708-E712 PolarHBondContact O-N 2.97Å; E712-S716 WeakPolarHBondContact O-CB 3.38Å; E712-S716 PolarHBondContact O-N 3.4Å; E712-S716 PolarHBondContact O-OG 2.96Å |
| 713 | R | 87.5 | Confident | 89.1 | Confident | 135 Ų | 135 | 101.9 Ų | 101.9 | 51% | 0.509 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.9 | -37.6 | 172.4 | -79.9 | 179.6 | -77.1 | 152.3 | -11.8 | 113.1 | E709 M710 I711 S716 A717 | E709-R713 WeakPolarHBondContact O-CB 3.39Å; E709-R713 WeakPolarHBondContact O-CG 3.33Å; E709-R713 PolarHBondContact O-N 3.46Å; E709-R713 VanDerWaalsContact O-N 3.13Å; E709-R713 PolarHBondContact O-NE 2.89Å; M710-R713 PolarHBondContact O-N 3.16Å; M710-R713 PolarHBondContact SD-NH1 3.09Å; M710-R713 PolarHBondContact SD-NH2 2.91Å; M710-R713 VanDerWaalsContact SD-NH2 3.36Å; I711-R713 VanDerWaalsContact C-N 3.28Å; I711-R713 PolarHBondContact O-N 2.86Å; R713-S716 PolarHBondContact O-N 3.25Å; R713-A717 WeakPolarHBondContact O-CB 3.38Å; R713-A717 PolarHBondContact O-N 3.45Å |
| 714 | E | 88.9 | Confident | 88.9 | Confident | 95 Ų | 95 | 103.7 Ų | 103.7 | 44% | 0.444 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.2 | -43.4 | 176.2 | -162.8 | -164.3 | 152.3 | 0 | 0 | 111.4 | M710 I711 A717 R718 | M710-E714 WeakPolarHBondContact O-CB 3.4Å; M710-E714 PolarHBondContact O-N 3.17Å; I711-E714 WeakPolarHBondContact O-CB 3.37Å; I711-E714 PolarHBondContact O-N 2.97Å; E714-A717 PolarHBondContact O-N 3.4Å; E714-R718 WeakPolarHBondContact O-CB 3.41Å; E714-R718 VanDerWaalsContact O-CG 3.25Å; E714-R718 WeakPolarHBondContact O-CG 3.48Å; E714-R718 PolarHBondContact O-N 3.28Å; E714-R718 IonicContact OE1-CZ 2.68Å; E714-R718 IonicContact OE1-NE 2.66Å; E714-R718 PolarHBondContact OE1-NE 2.9Å; E714-R718 IonicContact OE1-NH2 2.65Å; E714-R718 PolarHBondContact OE1-NH2 3.04Å |
| 715 | E | 90.8 | Very high | 88.5 | Confident | 127 Ų | 127 | 102.6 Ų | 102.6 | 59% | 0.593 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.1 | -43.6 | 175 | -70.1 | -175.9 | 162.7 | 0 | 0 | 111.7 | I711 A717 R718 C719 | I711-E715 WeakPolarHBondContact O-CG 3.29Å; I711-E715 PolarHBondContact O-N 2.66Å; E715-A717 PolarHBondContact O-N 3.02Å; E715-R718 PolarHBondContact O-N 2.86Å; E715-C719 PolarHBondContact O-N 3.08Å |
| 716 | S | 90.2 | Very high | 88.2 | Confident | 71 Ų | 71 | 101.3 Ų | 101.3 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.5 | -45.6 | 174 | -56.9 | 0 | 0 | 0 | 0 | 111.9 | E712 R713 C719 L720 | E712-S716 WeakPolarHBondContact O-CB 3.38Å; E712-S716 PolarHBondContact O-N 3.4Å; E712-S716 PolarHBondContact O-OG 2.96Å; R713-S716 PolarHBondContact O-N 3.25Å; S716-C719 WeakPolarHBondContact O-CB 3.34Å; S716-C719 PolarHBondContact O-N 3.39Å; S716-L720 PolarHBondContact O-N 3.05Å |
| 717 | A | 87.5 | Confident | 88.1 | Confident | 45 Ų | 45 | 99.5 Ų | 99.5 | 37% | 0.372 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.9 | -39.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | R713 E714 E715 C719 L720 I721 | R713-A717 WeakPolarHBondContact O-CB 3.38Å; R713-A717 PolarHBondContact O-N 3.45Å; E714-A717 PolarHBondContact O-N 3.4Å; E715-A717 PolarHBondContact O-N 3.02Å; A717-C719 VanDerWaalsContact C-N 3.31Å; A717-C719 PolarHBondContact O-N 3.4Å; A717-L720 PolarHBondContact O-N 3.14Å; A717-I721 WeakPolarHBondContact O-CB 3.4Å; A717-I721 WeakPolarHBondContact O-CD1 3.4Å; A717-I721 VanDerWaalsContact O-CG1 3.22Å; A717-I721 WeakPolarHBondContact O-CG1 3.46Å; A717-I721 PolarHBondContact O-N 3.07Å |
| 718 | R | 86.4 | Confident | 87.9 | Confident | 148 Ų | 148 | 98.4 Ų | 98.4 | 56% | 0.558 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.8 | -38.5 | 174 | -74.8 | 165.8 | 173.6 | -123.1 | 8 | 111.6 | E714 E715 I721 Q722 | E714-R718 WeakPolarHBondContact O-CB 3.41Å; E714-R718 VanDerWaalsContact O-CG 3.25Å; E714-R718 WeakPolarHBondContact O-CG 3.48Å; E714-R718 PolarHBondContact O-N 3.28Å; E714-R718 IonicContact OE1-CZ 2.68Å; E714-R718 IonicContact OE1-NE 2.66Å; E714-R718 PolarHBondContact OE1-NE 2.9Å; E714-R718 IonicContact OE1-NH2 2.65Å; E714-R718 PolarHBondContact OE1-NH2 3.04Å; E715-R718 PolarHBondContact O-N 2.86Å; R718-I721 PolarHBondContact O-N 3.34Å; R718-Q722 WeakPolarHBondContact O-CG 3.37Å; R718-Q722 PolarHBondContact O-N 2.85Å; R718-Q722 VanDerWaalsContact O-N 3.1Å |
| 719 | C | 88.7 | Confident | 87.5 | Confident | 65 Ų | 65 | 99.9 Ų | 99.9 | 44% | 0.439 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.3 | -50.6 | 175.8 | -152.8 | 0 | 0 | 0 | 0 | 111.3 | E715 S716 A717 I721 Q722 E723 | E715-C719 PolarHBondContact O-N 3.08Å; S716-C719 WeakPolarHBondContact O-CB 3.34Å; S716-C719 PolarHBondContact O-N 3.39Å; A717-C719 VanDerWaalsContact C-N 3.31Å; A717-C719 PolarHBondContact O-N 3.4Å; C719-I721 VanDerWaalsContact C-N 3.28Å; C719-I721 PolarHBondContact O-N 3.03Å; C719-Q722 WeakPolarHBondContact O-CA 3.36Å; C719-Q722 WeakPolarHBondContact O-CB 3.29Å; C719-Q722 PolarHBondContact O-N 3.19Å; C719-E723 PolarHBondContact O-N 3.48Å |
| 720 | L | 87.9 | Confident | 87.3 | Confident | 103 Ų | 103 | 100 Ų | 100 | 54% | 0.539 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -55.6 | -40.9 | 174.7 | -75.7 | 165 | 0 | 0 | 0 | 112.4 | S716 A717 Q722 E723 L724 | S716-L720 PolarHBondContact O-N 3.05Å; A717-L720 PolarHBondContact O-N 3.14Å; L720-Q722 VanDerWaalsContact C-N 3.33Å; L720-Q722 PolarHBondContact O-N 3.39Å; L720-E723 PolarHBondContact O-N 3.25Å; L720-L724 WeakPolarHBondContact O-CB 3.35Å; L720-L724 PolarHBondContact O-N 3.32Å |
| 721 | I | 83.4 | Confident | 87.3 | Confident | 99 Ų | 99 | 100.3 Ų | 100.3 | 51% | 0.508 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.9 | -36.9 | 175.1 | -71.3 | 164.4 | 0 | 0 | 0 | 111.3 | A717 R718 C719 N725 | A717-I721 WeakPolarHBondContact O-CB 3.4Å; A717-I721 WeakPolarHBondContact O-CD1 3.4Å; A717-I721 VanDerWaalsContact O-CG1 3.22Å; A717-I721 WeakPolarHBondContact O-CG1 3.46Å; A717-I721 PolarHBondContact O-N 3.07Å; R718-I721 PolarHBondContact O-N 3.34Å; C719-I721 VanDerWaalsContact C-N 3.28Å; C719-I721 PolarHBondContact O-N 3.03Å; I721-N725 WeakPolarHBondContact CG2-ND2 3.3Å; I721-N725 WeakPolarHBondContact O-CB 3.3Å; I721-N725 PolarHBondContact O-N 3.44Å; I721-N725 PolarHBondContact O-ND2 3Å |
| 722 | Q | 87.6 | Confident | 87 | Confident | 141 Ų | 141 | 103.9 Ų | 103.9 | 66% | 0.659 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.6 | -41.4 | 175.1 | -72.5 | -179 | 6.8 | 0 | 0 | 112 | R718 C719 L720 N725 S726 | R718-Q722 WeakPolarHBondContact O-CG 3.37Å; R718-Q722 PolarHBondContact O-N 2.85Å; R718-Q722 VanDerWaalsContact O-N 3.1Å; C719-Q722 WeakPolarHBondContact O-CA 3.36Å; C719-Q722 WeakPolarHBondContact O-CB 3.29Å; C719-Q722 PolarHBondContact O-N 3.19Å; L720-Q722 VanDerWaalsContact C-N 3.33Å; L720-Q722 PolarHBondContact O-N 3.39Å; Q722-N725 PolarHBondContact O-N 2.91Å; Q722-S726 PolarHBondContact O-N 3.27Å |
| 723 | E | 88.8 | Confident | 86.6 | Confident | 117 Ų | 117 | 103 Ų | 103 | 55% | 0.547 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.1 | -48.4 | 174.7 | -67.6 | -179.5 | 168.7 | 0 | 0 | 111.6 | C719 L720 N725 S726 V727 | C719-E723 PolarHBondContact O-N 3.48Å; L720-E723 PolarHBondContact O-N 3.25Å; E723-N725 VanDerWaalsContact C-N 3.31Å; E723-N725 PolarHBondContact O-N 3.28Å; E723-S726 WeakPolarHBondContact O-CA 3.37Å; E723-S726 VanDerWaalsContact O-CB 3.24Å; E723-S726 WeakPolarHBondContact O-CB 3.36Å; E723-S726 PolarHBondContact O-N 3.03Å; E723-V727 PolarHBondContact O-N 3.29Å |
| 724 | L | 83.1 | Confident | 86.6 | Confident | 114 Ų | 114 | 101 Ų | 101 | 60% | 0.597 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -57.1 | -42.8 | 174.7 | -113.2 | 136.1 | 0 | 0 | 0 | 111.9 | L720 S726 V727 V728 | L720-L724 WeakPolarHBondContact O-CB 3.35Å; L720-L724 PolarHBondContact O-N 3.32Å; L724-S726 VanDerWaalsContact C-N 3.28Å; L724-S726 PolarHBondContact O-N 3.28Å; L724-V727 PolarHBondContact O-N 3.41Å; L724-V728 WeakPolarHBondContact O-CB 3.06Å; L724-V728 VanDerWaalsContact O-CG2 3.27Å; L724-V728 WeakPolarHBondContact O-CG2 3.49Å; L724-V728 PolarHBondContact O-N 2.57Å |
| 725 | N | 83.6 | Confident | 86.5 | Confident | 88 Ų | 88 | 103.5 Ų | 103.5 | 47% | 0.471 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.2 | -30.7 | 174.8 | -84.2 | -64.8 | 0 | 0 | 0 | 113.1 | I721 Q722 E723 K729 | I721-N725 WeakPolarHBondContact CG2-ND2 3.3Å; I721-N725 WeakPolarHBondContact O-CB 3.3Å; I721-N725 PolarHBondContact O-N 3.44Å; I721-N725 PolarHBondContact O-ND2 3Å; Q722-N725 PolarHBondContact O-N 2.91Å; E723-N725 VanDerWaalsContact C-N 3.31Å; E723-N725 PolarHBondContact O-N 3.28Å; N725-K729 VanDerWaalsContact O-CG 3.31Å; N725-K729 WeakPolarHBondContact O-CG 3.43Å; N725-K729 PolarHBondContact O-N 3.46Å |
| 726 | S | 86.7 | Confident | 86.1 | Confident | 75 Ų | 75 | 100.2 Ų | 100.2 | 52% | 0.524 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.1 | -50.7 | 172.6 | -165.2 | 0 | 0 | 0 | 0 | 111 | Q722 E723 L724 V728 K729 E730 | Q722-S726 PolarHBondContact O-N 3.27Å; E723-S726 WeakPolarHBondContact O-CA 3.37Å; E723-S726 VanDerWaalsContact O-CB 3.24Å; E723-S726 WeakPolarHBondContact O-CB 3.36Å; E723-S726 PolarHBondContact O-N 3.03Å; L724-S726 VanDerWaalsContact C-N 3.28Å; L724-S726 PolarHBondContact O-N 3.28Å; S726-V728 VanDerWaalsContact C-N 3.34Å; S726-V728 PolarHBondContact O-N 3.15Å; S726-K729 WeakPolarHBondContact O-CB 3.49Å; S726-K729 PolarHBondContact O-N 3.29Å; S726-K729 VanDerWaalsContact O-N 3.12Å; S726-E730 PolarHBondContact O-N 3.09Å |
| 727 | V | 86.5 | Confident | 85.8 | Confident | 76 Ų | 76 | 100.3 Ų | 100.3 | 46% | 0.461 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.9 | -42.2 | 178.3 | 175.6 | 0 | 0 | 0 | 0 | 111.4 | E723 L724 K729 E730 Q731 | E723-V727 PolarHBondContact O-N 3.29Å; L724-V727 PolarHBondContact O-N 3.41Å; V727-K729 PolarHBondContact O-N 2.97Å; V727-E730 PolarHBondContact O-N 2.79Å; V727-Q731 HydrophobicContact CG1-CG 4.23Å; V727-Q731 WeakPolarHBondContact O-CB 3.34Å; V727-Q731 WeakPolarHBondContact O-CG 3.42Å; V727-Q731 PolarHBondContact O-N 3.27Å |
| 728 | V | 85.9 | Confident | 85.7 | Confident | 84 Ų | 84 | 104.8 Ų | 104.8 | 51% | 0.509 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.3 | -39.3 | 176.4 | 169.1 | 0 | 0 | 0 | 0 | 111.7 | L724 S726 K732 | L724-V728 WeakPolarHBondContact O-CB 3.06Å; L724-V728 VanDerWaalsContact O-CG2 3.27Å; L724-V728 WeakPolarHBondContact O-CG2 3.49Å; L724-V728 PolarHBondContact O-N 2.57Å; S726-V728 VanDerWaalsContact C-N 3.34Å; S726-V728 PolarHBondContact O-N 3.15Å; V728-K732 VanDerWaalsContact O-CB 3.29Å; V728-K732 WeakPolarHBondContact O-CB 3.42Å; V728-K732 PolarHBondContact O-N 2.96Å |
| 729 | K | 84.7 | Confident | 85.8 | Confident | 156 Ų | 156 | 102.3 Ų | 102.3 | 68% | 0.678 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.4 | -42.5 | 172.9 | -76.8 | 171.8 | -178.7 | 174.1 | 0 | 111.7 | N725 S726 V727 K732 S733 | N725-K729 VanDerWaalsContact O-CG 3.31Å; N725-K729 WeakPolarHBondContact O-CG 3.43Å; N725-K729 PolarHBondContact O-N 3.46Å; S726-K729 WeakPolarHBondContact O-CB 3.49Å; S726-K729 PolarHBondContact O-N 3.29Å; S726-K729 VanDerWaalsContact O-N 3.12Å; V727-K729 PolarHBondContact O-N 2.97Å; K729-K732 PolarHBondContact O-N 3.01Å; K729-S733 PolarHBondContact O-N 2.84Å |
| 730 | E | 87.1 | Confident | 85.8 | Confident | 92 Ų | 92 | 106.3 Ų | 106.3 | 43% | 0.43 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.6 | -49.9 | 178 | -165.1 | -166.4 | 144.1 | 0 | 0 | 111 | S726 V727 K732 S733 K734 | S726-E730 PolarHBondContact O-N 3.09Å; V727-E730 PolarHBondContact O-N 2.79Å; E730-K732 VanDerWaalsContact C-N 3.34Å; E730-K732 PolarHBondContact O-N 2.94Å; E730-S733 WeakPolarHBondContact O-CA 3.3Å; E730-S733 WeakPolarHBondContact O-CB 3.5Å; E730-S733 PolarHBondContact O-N 3.32Å; E730-S733 PolarHBondContact O-OG 2.84Å; E730-K734 HydrophobicContact CG-CD 4.43Å; E730-K734 PolarHBondContact O-N 3.13Å; E730-K734 WeakPolarHBondContact OE1-CE 3.49Å; E730-K734 IonicContact OE1-NZ 3.34Å; E730-K734 PolarHBondContact OE1-NZ 3.16Å |
| 731 | Q | 85.6 | Confident | 85.7 | Confident | 106 Ų | 106 | 104.2 Ų | 104.2 | 50% | 0.495 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.7 | -38.5 | 178.2 | -67.4 | -64.6 | 0.3 | 0 | 0 | 112.2 | V727 S733 K734 Y735 | V727-Q731 HydrophobicContact CG1-CG 4.23Å; V727-Q731 WeakPolarHBondContact O-CB 3.34Å; V727-Q731 WeakPolarHBondContact O-CG 3.42Å; V727-Q731 PolarHBondContact O-N 3.27Å; Q731-S733 VanDerWaalsContact C-N 3.28Å; Q731-S733 PolarHBondContact O-N 3.31Å; Q731-K734 PolarHBondContact O-N 2.99Å; Q731-Y735 WeakPolarHBondContact O-CB 3.35Å; Q731-Y735 PolarHBondContact O-N 3.31Å |
| 732 | K | 83.8 | Confident | 86 | Confident | 154 Ų | 154 | 105.2 Ų | 105.2 | 67% | 0.67 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.6 | -36.6 | 172.1 | -170.7 | 171.5 | -175.9 | 173 | 0 | 111.9 | V728 K729 E730 T736 | V728-K732 VanDerWaalsContact O-CB 3.29Å; V728-K732 WeakPolarHBondContact O-CB 3.42Å; V728-K732 PolarHBondContact O-N 2.96Å; K729-K732 PolarHBondContact O-N 3.01Å; E730-K732 VanDerWaalsContact C-N 3.34Å; E730-K732 PolarHBondContact O-N 2.94Å; K732-T736 WeakPolarHBondContact O-CB 3.4Å; K732-T736 PolarHBondContact O-N 3.46Å; K732-T736 PolarHBondContact O-OG1 3.14Å |
| 733 | S | 84.6 | Confident | 86 | Confident | 71 Ų | 71 | 103.4 Ų | 103.4 | 50% | 0.497 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -71.1 | -41.2 | 175.9 | 81.8 | 0 | 0 | 0 | 0 | 112.5 | K729 E730 Q731 T736 S737 | K729-S733 PolarHBondContact O-N 2.84Å; E730-S733 WeakPolarHBondContact O-CA 3.3Å; E730-S733 WeakPolarHBondContact O-CB 3.5Å; E730-S733 PolarHBondContact O-N 3.32Å; E730-S733 PolarHBondContact O-OG 2.84Å; Q731-S733 VanDerWaalsContact C-N 3.28Å; Q731-S733 PolarHBondContact O-N 3.31Å; S733-T736 PolarHBondContact O-N 3.3Å; S733-S737 PolarHBondContact O-N 3.14Å; S733-S737 PolarHBondContact O-OG 3.42Å |
| 734 | K | 86.7 | Confident | 86 | Confident | 95 Ų | 95 | 103 Ų | 103 | 41% | 0.413 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.6 | -46.7 | 172.8 | -76.7 | 171.4 | 164 | 169.5 | 0 | 112.5 | E730 Q731 T736 S737 Q738 | E730-K734 HydrophobicContact CG-CD 4.43Å; E730-K734 PolarHBondContact O-N 3.13Å; E730-K734 WeakPolarHBondContact OE1-CE 3.49Å; E730-K734 IonicContact OE1-NZ 3.34Å; E730-K734 PolarHBondContact OE1-NZ 3.16Å; Q731-K734 PolarHBondContact O-N 2.99Å; K734-T736 VanDerWaalsContact C-N 3.32Å; K734-T736 PolarHBondContact O-N 3.23Å; K734-S737 PolarHBondContact O-N 3.05Å; K734-S737 PolarHBondContact O-OG 3.3Å; K734-Q738 WeakPolarHBondContact O-CB 3.45Å; K734-Q738 PolarHBondContact O-N 3.27Å |
| 735 | Y | 85.8 | Confident | 86.3 | Confident | 146 Ų | 146 | 102.2 Ų | 102.2 | 57% | 0.573 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.9 | -43.7 | 174.8 | -179.1 | -93.9 | 0 | 0 | 0 | 111.3 | Q731 S737 Q738 Q739 | Q731-Y735 WeakPolarHBondContact O-CB 3.35Å; Q731-Y735 PolarHBondContact O-N 3.31Å; Y735-S737 PolarHBondContact O-N 3.09Å; Y735-Q738 PolarHBondContact O-N 2.91Å; Y735-Q739 VanDerWaalsContact O-CB 3.28Å; Y735-Q739 WeakPolarHBondContact O-CB 3.05Å; Y735-Q739 PolarHBondContact O-N 3.42Å |
| 736 | T | 82.4 | Confident | 86.4 | Confident | 59 Ų | 59 | 102 Ų | 102 | 36% | 0.362 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.3 | -39.1 | 178.4 | -55.7 | 0 | 0 | 0 | 0 | 112.2 | K732 S733 K734 K740 | K732-T736 WeakPolarHBondContact O-CB 3.4Å; K732-T736 PolarHBondContact O-N 3.46Å; K732-T736 PolarHBondContact O-OG1 3.14Å; S733-T736 PolarHBondContact O-N 3.3Å; K734-T736 VanDerWaalsContact C-N 3.32Å; K734-T736 PolarHBondContact O-N 3.23Å; T736-K740 WeakPolarHBondContact O-CG 3.45Å; T736-K740 PolarHBondContact O-N 2.98Å; T736-K740 VanDerWaalsContact O-N 3.13Å |
| 737 | S | 85.6 | Confident | 86.5 | Confident | 72 Ų | 72 | 103.4 Ų | 103.4 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -71.5 | -40.4 | 176.7 | 64.7 | 0 | 0 | 0 | 0 | 112 | S733 K734 Y735 K740 A741 | S733-S737 PolarHBondContact O-N 3.14Å; S733-S737 PolarHBondContact O-OG 3.42Å; K734-S737 PolarHBondContact O-N 3.05Å; K734-S737 PolarHBondContact O-OG 3.3Å; Y735-S737 PolarHBondContact O-N 3.09Å; S737-K740 PolarHBondContact O-N 3.36Å; S737-A741 PolarHBondContact O-N 2.9Å |
| 738 | Q | 84.9 | Confident | 86.6 | Confident | 139 Ų | 139 | 103.7 Ų | 103.7 | 65% | 0.65 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.6 | -40.7 | 174.2 | -171.3 | 175.7 | 3.7 | 0 | 0 | 112 | K734 Y735 A741 H742 | K734-Q738 WeakPolarHBondContact O-CB 3.45Å; K734-Q738 PolarHBondContact O-N 3.27Å; Y735-Q738 PolarHBondContact O-N 2.91Å; Q738-A741 PolarHBondContact O-N 2.75Å; Q738-H742 WeakPolarHBondContact O-CB 3.4Å; Q738-H742 PolarHBondContact O-N 3.05Å |
| 739 | Q | 87.4 | Confident | 86.6 | Confident | 96 Ų | 96 | 104.4 Ų | 104.4 | 45% | 0.449 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.6 | -39 | 176.7 | -168.4 | 172.7 | 23.8 | 0 | 0 | 111.9 | Y735 H742 L743 | Y735-Q739 VanDerWaalsContact O-CB 3.28Å; Y735-Q739 WeakPolarHBondContact O-CB 3.05Å; Y735-Q739 PolarHBondContact O-N 3.42Å; Q739-H742 PolarHBondContact O-N 3.48Å; Q739-L743 PolarHBondContact O-N 3.48Å |
| 740 | K | 88.9 | Confident | 86.8 | Confident | 150 Ų | 150 | 102.8 Ų | 102.8 | 65% | 0.652 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.8 | -43.8 | 171.2 | -74.9 | 176.2 | 179.4 | -176.1 | 0 | 112.1 | T736 S737 H742 L743 L744 | T736-K740 WeakPolarHBondContact O-CG 3.45Å; T736-K740 PolarHBondContact O-N 2.98Å; T736-K740 VanDerWaalsContact O-N 3.13Å; S737-K740 PolarHBondContact O-N 3.36Å; K740-H742 VanDerWaalsContact C-N 3.35Å; K740-L743 PolarHBondContact O-N 2.65Å; K740-L744 PolarHBondContact O-N 2.8Å |
| 741 | A | 86.5 | Confident | 86.9 | Confident | 59 Ų | 59 | 103.5 Ų | 103.5 | 49% | 0.488 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.6 | -39.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S737 Q738 L744 L745 | S737-A741 PolarHBondContact O-N 2.9Å; Q738-A741 PolarHBondContact O-N 2.75Å; A741-L744 PolarHBondContact O-N 2.99Å; A741-L745 WeakPolarHBondContact O-CB 3.35Å; A741-L745 PolarHBondContact O-N 2.97Å |
| 742 | H | 89.2 | Confident | 87.3 | Confident | 120 Ų | 120 | 106 Ų | 106 | 56% | 0.556 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.2 | -42.2 | 175.8 | -173.6 | -79.6 | 0 | 0 | 0 | 112.4 | Q738 Q739 K740 L744 L745 Q746 | Q738-H742 WeakPolarHBondContact O-CB 3.4Å; Q738-H742 PolarHBondContact O-N 3.05Å; Q739-H742 PolarHBondContact O-N 3.48Å; K740-H742 VanDerWaalsContact C-N 3.35Å; H742-L744 VanDerWaalsContact C-N 3.34Å; H742-L744 PolarHBondContact O-N 2.92Å; H742-L745 PolarHBondContact O-N 3.49Å; H742-Q746 WeakPolarHBondContact O-CB 3.48Å; H742-Q746 PolarHBondContact O-N 3.47Å |
| 743 | L | 87.2 | Confident | 87.5 | Confident | 102 Ų | 102 | 103 Ų | 103 | 53% | 0.534 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60 | -42.7 | 173.3 | -87.5 | 159 | 0 | 0 | 0 | 111.9 | Q739 K740 Q746 H747 | Q739-L743 PolarHBondContact O-N 3.48Å; K740-L743 PolarHBondContact O-N 2.65Å; L743-Q746 PolarHBondContact O-N 3.3Å; L743-H747 PolarHBondContact O-N 2.92Å |
| 744 | L | 89.8 | Confident | 87.7 | Confident | 109 Ų | 109 | 103.7 Ų | 103.7 | 57% | 0.571 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.5 | -42.9 | 175.9 | -171.1 | 70 | 0 | 0 | 0 | 112 | K740 A741 H742 Q746 H747 N748 | K740-L744 PolarHBondContact O-N 2.8Å; A741-L744 PolarHBondContact O-N 2.99Å; H742-L744 VanDerWaalsContact C-N 3.34Å; H742-L744 PolarHBondContact O-N 2.92Å; L744-Q746 PolarHBondContact O-N 3.36Å; L744-H747 WeakPolarHBondContact O-CB 3.38Å; L744-H747 PolarHBondContact O-N 2.99Å; L744-N748 VanDerWaalsContact O-CG 3.24Å; L744-N748 PolarHBondContact O-N 2.94Å; L744-N748 PolarHBondContact O-OD1 2.9Å |
| 745 | L | 88.8 | Confident | 87.7 | Confident | 97 Ų | 97 | 101.9 Ų | 101.9 | 51% | 0.508 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 174.7 | -178.3 | 65.6 | 0 | 0 | 0 | 111.4 | A741 H742 H747 N748 L749 | A741-L745 WeakPolarHBondContact O-CB 3.35Å; A741-L745 PolarHBondContact O-N 2.97Å; H742-L745 PolarHBondContact O-N 3.49Å; L745-H747 VanDerWaalsContact C-N 3.31Å; L745-H747 PolarHBondContact O-N 2.9Å; L745-N748 PolarHBondContact O-N 3.07Å; L745-L749 HydrophobicContact CD1-CD1 4.35Å; L745-L749 HydrophobicContact CD1-CG 4.39Å; L745-L749 HydrophobicContact CG-CD1 4.04Å; L745-L749 HydrophobicContact CG-CG 4.47Å; L745-L749 WeakPolarHBondContact O-CB 3.35Å; L745-L749 VanDerWaalsContact O-CG 3.3Å; L745-L749 WeakPolarHBondContact O-CG 3.29Å; L745-L749 PolarHBondContact O-N 3.32Å |
| 746 | Q | 85.4 | Confident | 87.7 | Confident | 85 Ų | 85 | 99.9 Ų | 99.9 | 40% | 0.397 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.5 | -36.4 | 177.4 | -167 | -174.4 | 21.9 | 0 | 0 | 112 | H742 L743 L744 K750 | H742-Q746 WeakPolarHBondContact O-CB 3.48Å; H742-Q746 PolarHBondContact O-N 3.47Å; L743-Q746 PolarHBondContact O-N 3.3Å; L744-Q746 PolarHBondContact O-N 3.36Å; Q746-K750 WeakPolarHBondContact O-CB 3.44Å; Q746-K750 VanDerWaalsContact O-CG 3.31Å; Q746-K750 WeakPolarHBondContact O-CG 3.32Å; Q746-K750 PolarHBondContact O-N 3.43Å |
| 747 | H | 90.6 | Very high | 88.1 | Confident | 103 Ų | 103 | 102.2 Ų | 102.2 | 48% | 0.477 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.7 | -54.3 | 172.5 | -173.9 | -83.8 | 0 | 0 | 0 | 111.3 | L743 L744 L745 L749 K750 E751 | L743-H747 PolarHBondContact O-N 2.92Å; L744-H747 WeakPolarHBondContact O-CB 3.38Å; L744-H747 PolarHBondContact O-N 2.99Å; L745-H747 VanDerWaalsContact C-N 3.31Å; L745-H747 PolarHBondContact O-N 2.9Å; H747-L749 VanDerWaalsContact C-N 3.28Å; H747-L749 PolarHBondContact O-N 3.29Å; H747-K750 WeakPolarHBondContact O-CB 3.37Å; H747-K750 PolarHBondContact O-N 2.93Å; H747-E751 IonicContact CE1-OE1 2.64Å; H747-E751 PolarHBondContact CE1-OE1 3.14Å; H747-E751 VanDerWaalsContact CE1-OE1 3.27Å; H747-E751 IonicContact CE1-OE2 2.71Å; H747-E751 PolarHBondContact CE1-OE2 3.37Å; H747-E751 IonicContact ND1-OE1 2.58Å; H747-E751 IonicContact ND1-OE2 3.91Å; H747-E751 PolarHBondContact ND1-OE2 2.96Å; H747-E751 PolarHBondContact O-N 3.32Å |
| 748 | N | 88.1 | Confident | 88.3 | Confident | 83 Ų | 83 | 103.6 Ų | 103.6 | 44% | 0.444 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.1 | -37 | -179.2 | -64.2 | -9.8 | 0 | 0 | 0 | 112.4 | L744 L745 R752 | L744-N748 VanDerWaalsContact O-CG 3.24Å; L744-N748 PolarHBondContact O-N 2.94Å; L744-N748 PolarHBondContact O-OD1 2.9Å; L745-N748 PolarHBondContact O-N 3.07Å; N748-R752 WeakPolarHBondContact O-CB 3.42Å; N748-R752 PolarHBondContact O-N 3.14Å |
| 749 | L | 86.2 | Confident | 88.6 | Confident | 98 Ų | 98 | 102.3 Ų | 102.3 | 51% | 0.513 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.9 | -39.5 | 175 | -71.9 | 173.6 | 0 | 0 | 0 | 112.1 | L745 H747 R752 I753 | L745-L749 HydrophobicContact CD1-CD1 4.35Å; L745-L749 HydrophobicContact CD1-CG 4.39Å; L745-L749 HydrophobicContact CG-CD1 4.04Å; L745-L749 HydrophobicContact CG-CG 4.47Å; L745-L749 WeakPolarHBondContact O-CB 3.35Å; L745-L749 VanDerWaalsContact O-CG 3.3Å; L745-L749 WeakPolarHBondContact O-CG 3.29Å; L745-L749 PolarHBondContact O-N 3.32Å; H747-L749 VanDerWaalsContact C-N 3.28Å; H747-L749 PolarHBondContact O-N 3.29Å; L749-R752 PolarHBondContact O-N 3.49Å; L749-I753 VanDerWaalsContact O-CG1 3.27Å; L749-I753 WeakPolarHBondContact O-CG1 3.34Å; L749-I753 PolarHBondContact O-N 2.92Å |
| 750 | K | 88.9 | Confident | 88.6 | Confident | 123 Ų | 123 | 102.6 Ų | 102.6 | 54% | 0.535 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.5 | -48.8 | 173.8 | -78.1 | 173.7 | 176.9 | 179.1 | 0 | 111.6 | Q746 H747 R752 I753 T754 | Q746-K750 WeakPolarHBondContact O-CB 3.44Å; Q746-K750 VanDerWaalsContact O-CG 3.31Å; Q746-K750 WeakPolarHBondContact O-CG 3.32Å; Q746-K750 PolarHBondContact O-N 3.43Å; H747-K750 WeakPolarHBondContact O-CB 3.37Å; H747-K750 PolarHBondContact O-N 2.93Å; K750-R752 VanDerWaalsContact C-N 3.3Å; K750-R752 PolarHBondContact O-N 3.39Å; K750-I753 PolarHBondContact O-N 3.36Å; K750-I753 VanDerWaalsContact O-N 3.14Å; K750-T754 PolarHBondContact O-N 2.94Å; K750-T754 PolarHBondContact O-OG1 2.96Å |
| 751 | E | 89 | Confident | 88.6 | Confident | 106 Ų | 106 | 101.6 Ų | 101.6 | 50% | 0.495 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -57.3 | -44.5 | 175.2 | -71.7 | -176.8 | 133.4 | 0 | 0 | 111.4 | H747 I753 T754 T755 | H747-E751 IonicContact CE1-OE1 2.64Å; H747-E751 PolarHBondContact CE1-OE1 3.14Å; H747-E751 VanDerWaalsContact CE1-OE1 3.27Å; H747-E751 IonicContact CE1-OE2 2.71Å; H747-E751 PolarHBondContact CE1-OE2 3.37Å; H747-E751 IonicContact ND1-OE1 2.58Å; H747-E751 IonicContact ND1-OE2 3.91Å; H747-E751 PolarHBondContact ND1-OE2 2.96Å; H747-E751 PolarHBondContact O-N 3.32Å; E751-I753 PolarHBondContact O-N 3.49Å; E751-T754 PolarHBondContact O-N 2.92Å; E751-T755 WeakPolarHBondContact O-CG2 3.47Å; E751-T755 PolarHBondContact O-N 3.24Å; E751-T755 PolarHBondContact O-OG1 2.99Å |
| 752 | R | 92.7 | Very high | 88.7 | Confident | 159 Ų | 159 | 102.6 Ų | 102.6 | 60% | 0.6 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.7 | -43.2 | 176.2 | 178.1 | 62.3 | 83.3 | 177.7 | 9 | 111.9 | N748 L749 K750 T755 L756 | N748-R752 WeakPolarHBondContact O-CB 3.42Å; N748-R752 PolarHBondContact O-N 3.14Å; L749-R752 PolarHBondContact O-N 3.49Å; K750-R752 VanDerWaalsContact C-N 3.3Å; K750-R752 PolarHBondContact O-N 3.39Å; R752-T755 PolarHBondContact O-N 2.85Å; R752-T755 PolarHBondContact O-OG1 2.91Å; R752-L756 HydrophobicContact CG-CD1 4.13Å; R752-L756 WeakPolarHBondContact O-CG 3.41Å; R752-L756 PolarHBondContact O-N 3.43Å |
| 753 | I | 88.8 | Confident | 88.8 | Confident | 90 Ų | 90 | 98.6 Ų | 98.6 | 46% | 0.462 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.6 | -50.2 | 175.6 | -71.2 | 162.6 | 0 | 0 | 0 | 110.2 | L749 K750 E751 T755 L756 E757 | L749-I753 VanDerWaalsContact O-CG1 3.27Å; L749-I753 WeakPolarHBondContact O-CG1 3.34Å; L749-I753 PolarHBondContact O-N 2.92Å; K750-I753 PolarHBondContact O-N 3.36Å; K750-I753 VanDerWaalsContact O-N 3.14Å; E751-I753 PolarHBondContact O-N 3.49Å; I753-T755 VanDerWaalsContact C-N 3.3Å; I753-T755 PolarHBondContact O-N 3.33Å; I753-L756 WeakPolarHBondContact O-CA 3.48Å; I753-L756 PolarHBondContact O-N 2.87Å; I753-E757 HydrophobicContact CG2-CG 4.23Å; I753-E757 WeakPolarHBondContact O-CG 3.25Å; I753-E757 PolarHBondContact O-N 2.99Å |
| 754 | T | 88.2 | Confident | 88.9 | Confident | 87 Ų | 87 | 98 Ų | 98 | 53% | 0.534 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.4 | -37 | 179.1 | -53.6 | 0 | 0 | 0 | 0 | 112.7 | K750 E751 E757 M758 | K750-T754 PolarHBondContact O-N 2.94Å; K750-T754 PolarHBondContact O-OG1 2.96Å; E751-T754 PolarHBondContact O-N 2.92Å; T754-E757 WeakPolarHBondContact CA-OE2 3.27Å; T754-M758 PolarHBondContact O-N 2.81Å; T754-M758 VanDerWaalsContact O-N 3.1Å |
| 755 | T | 88.4 | Confident | 88.8 | Confident | 57 Ų | 57 | 95.5 Ų | 95.5 | 35% | 0.35 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66 | -38.8 | 171.9 | 60.6 | 0 | 0 | 0 | 0 | 112.7 | E751 R752 I753 M758 H759 | E751-T755 WeakPolarHBondContact O-CG2 3.47Å; E751-T755 PolarHBondContact O-N 3.24Å; E751-T755 PolarHBondContact O-OG1 2.99Å; R752-T755 PolarHBondContact O-N 2.85Å; R752-T755 PolarHBondContact O-OG1 2.91Å; I753-T755 VanDerWaalsContact C-N 3.3Å; I753-T755 PolarHBondContact O-N 3.33Å; T755-M758 PolarHBondContact O-N 3.32Å; T755-H759 PolarHBondContact O-CD2 3.19Å; T755-H759 PolarHBondContact O-N 3.46Å |
| 756 | L | 84 | Confident | 88.9 | Confident | 104 Ų | 104 | 97 Ų | 97 | 55% | 0.545 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -70.1 | -36.3 | 178.1 | -70.5 | 171.4 | 0 | 0 | 0 | 112.2 | R752 I753 H759 L760 | R752-L756 HydrophobicContact CG-CD1 4.13Å; R752-L756 WeakPolarHBondContact O-CG 3.41Å; R752-L756 PolarHBondContact O-N 3.43Å; I753-L756 WeakPolarHBondContact O-CA 3.48Å; I753-L756 PolarHBondContact O-N 2.87Å; L756-H759 PolarHBondContact O-N 2.86Å; L756-L760 WeakPolarHBondContact O-CB 3.29Å; L756-L760 PolarHBondContact O-N 3.04Å |
| 757 | E | 91.1 | Very high | 89.1 | Confident | 108 Ų | 108 | 97.6 Ų | 97.6 | 51% | 0.505 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61 | -47.2 | 173.1 | -70.9 | 169.9 | 153.1 | 0 | 0 | 111 | I753 T754 H759 L760 E761 | I753-E757 HydrophobicContact CG2-CG 4.23Å; I753-E757 WeakPolarHBondContact O-CG 3.25Å; I753-E757 PolarHBondContact O-N 2.99Å; T754-E757 WeakPolarHBondContact CA-OE2 3.27Å; E757-H759 PolarHBondContact O-N 3.26Å; E757-L760 WeakPolarHBondContact O-CB 3.45Å; E757-L760 PolarHBondContact O-N 2.95Å; E757-E761 PolarHBondContact O-N 3.49Å |
| 758 | M | 90.2 | Very high | 89 | Confident | 101 Ų | 101 | 98.3 Ų | 98.3 | 50% | 0.498 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.9 | -47 | 174.5 | -177.5 | -176.7 | 73 | 0 | 0 | 112.1 | T754 T755 L760 E761 E762 | T754-M758 PolarHBondContact O-N 2.81Å; T754-M758 VanDerWaalsContact O-N 3.1Å; T755-M758 PolarHBondContact O-N 3.32Å; M758-L760 VanDerWaalsContact C-N 3.31Å; M758-L760 PolarHBondContact O-N 3.48Å; M758-E761 PolarHBondContact O-N 3.23Å; M758-E762 WeakPolarHBondContact O-CG 3.13Å; M758-E762 PolarHBondContact O-N 3.14Å |
| 759 | H | 91.7 | Very high | 89 | Confident | 111 Ų | 111 | 99 Ų | 99 | 51% | 0.514 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.3 | -34.6 | 177.6 | -80.4 | -126.9 | 0 | 0 | 0 | 112.7 | T755 L756 E757 A763 | T755-H759 PolarHBondContact O-CD2 3.19Å; T755-H759 PolarHBondContact O-N 3.46Å; L756-H759 PolarHBondContact O-N 2.86Å; E757-H759 PolarHBondContact O-N 3.26Å; H759-A763 WeakPolarHBondContact O-CB 3.34Å; H759-A763 PolarHBondContact O-N 2.85Å |
| 760 | L | 86.7 | Confident | 89 | Confident | 102 Ų | 102 | 100.4 Ų | 100.4 | 53% | 0.534 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.5 | -43.7 | 175.4 | 179.4 | 65.5 | 0 | 0 | 0 | 111.1 | L756 E757 M758 A763 Q764 | L756-L760 WeakPolarHBondContact O-CB 3.29Å; L756-L760 PolarHBondContact O-N 3.04Å; E757-L760 WeakPolarHBondContact O-CB 3.45Å; E757-L760 PolarHBondContact O-N 2.95Å; M758-L760 VanDerWaalsContact C-N 3.31Å; M758-L760 PolarHBondContact O-N 3.48Å; L760-A763 PolarHBondContact O-N 3.48Å; L760-Q764 WeakPolarHBondContact O-CG 3.05Å; L760-Q764 PolarHBondContact O-N 3.02Å |
| 761 | E | 89.7 | Confident | 89 | Confident | 130 Ų | 130 | 99.5 Ų | 99.5 | 61% | 0.607 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.8 | -42 | 177.8 | -169.9 | 162.2 | -149 | 0 | 0 | 111.5 | E757 M758 A763 Q764 T765 | E757-E761 PolarHBondContact O-N 3.49Å; M758-E761 PolarHBondContact O-N 3.23Å; E761-A763 PolarHBondContact O-N 2.77Å; E761-Q764 PolarHBondContact O-N 2.77Å; E761-T765 WeakPolarHBondContact O-CG2 3.26Å; E761-T765 PolarHBondContact O-N 3Å |
| 762 | E | 89.3 | Confident | 88.9 | Confident | 79 Ų | 79 | 98 Ų | 98 | 37% | 0.369 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -57.8 | -46.3 | 168.7 | -72.7 | -171.3 | 170.9 | 0 | 0 | 112.3 | M758 Q764 T765 R766 | M758-E762 WeakPolarHBondContact O-CG 3.13Å; M758-E762 PolarHBondContact O-N 3.14Å; E762-Q764 VanDerWaalsContact C-N 3.32Å; E762-Q764 PolarHBondContact O-N 3.05Å; E762-T765 PolarHBondContact O-N 3.48Å; E762-T765 PolarHBondContact O-OG1 3.09Å; E762-R766 WeakPolarHBondContact O-CG 3.49Å; E762-R766 PolarHBondContact O-N 3.41Å; E762-R766 IonicContact OE2-CZ 3.31Å; E762-R766 IonicContact OE2-NH1 3.97Å; E762-R766 IonicContact OE2-NH2 3.17Å; E762-R766 PolarHBondContact OE2-NH2 3.07Å |
| 763 | A | 90 | Very high | 88.5 | Confident | 37 Ų | 37 | 95.2 Ų | 95.2 | 31% | 0.306 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | H759 L760 E761 R766 I767 | H759-A763 WeakPolarHBondContact O-CB 3.34Å; H759-A763 PolarHBondContact O-N 2.85Å; L760-A763 PolarHBondContact O-N 3.48Å; E761-A763 PolarHBondContact O-N 2.77Å; A763-R766 PolarHBondContact O-N 3.3Å; A763-I767 WeakPolarHBondContact O-CG1 3.29Å; A763-I767 PolarHBondContact O-N 2.67Å |
| 764 | Q | 90.6 | Very high | 88.6 | Confident | 90 Ų | 90 | 99.1 Ų | 99.1 | 42% | 0.421 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.2 | -37.1 | 176 | -71.1 | 177.7 | 13.7 | 0 | 0 | 112.9 | L760 E761 E762 I767 R768 | L760-Q764 WeakPolarHBondContact O-CG 3.05Å; L760-Q764 PolarHBondContact O-N 3.02Å; E761-Q764 PolarHBondContact O-N 2.77Å; E762-Q764 VanDerWaalsContact C-N 3.32Å; E762-Q764 PolarHBondContact O-N 3.05Å; Q764-I767 PolarHBondContact O-N 2.89Å; Q764-R768 PolarHBondContact O-N 3.19Å; Q764-R768 PolarHBondContact O-NE 2.88Å |
| 765 | T | 86.7 | Confident | 88.7 | Confident | 56 Ų | 56 | 101 Ų | 101 | 34% | 0.344 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.4 | -41.9 | 173.9 | 59.6 | 0 | 0 | 0 | 0 | 111.7 | E761 E762 I767 R768 N769 | E761-T765 WeakPolarHBondContact O-CG2 3.26Å; E761-T765 PolarHBondContact O-N 3Å; E762-T765 PolarHBondContact O-N 3.48Å; E762-T765 PolarHBondContact O-OG1 3.09Å; T765-I767 PolarHBondContact O-N 3.26Å; T765-R768 PolarHBondContact O-N 3.18Å; T765-N769 VanDerWaalsContact O-CG 3.26Å; T765-N769 PolarHBondContact O-N 3.15Å; T765-N769 PolarHBondContact O-OD1 3.04Å |
| 766 | R | 90.1 | Very high | 88.7 | Confident | 127 Ų | 127 | 103.7 Ų | 103.7 | 48% | 0.479 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.9 | -44 | 173.4 | -66 | 175.7 | -165.7 | 110.1 | 3.7 | 112 | E762 A763 N769 H770 | E762-R766 WeakPolarHBondContact O-CG 3.49Å; E762-R766 PolarHBondContact O-N 3.41Å; E762-R766 IonicContact OE2-CZ 3.31Å; E762-R766 IonicContact OE2-NH1 3.97Å; E762-R766 IonicContact OE2-NH2 3.17Å; E762-R766 PolarHBondContact OE2-NH2 3.07Å; A763-R766 PolarHBondContact O-N 3.3Å; R766-N769 PolarHBondContact O-N 2.89Å; R766-H770 PolarHBondContact O-CD2 3.13Å; R766-H770 PolarHBondContact O-N 3.16Å |
| 767 | I | 89.7 | Confident | 88.8 | Confident | 98 Ų | 98 | 103.7 Ų | 103.7 | 50% | 0.503 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.3 | -49.2 | 177.2 | -69.6 | 165.1 | 0 | 0 | 0 | 110.9 | A763 Q764 T765 N769 H770 E771 | A763-I767 WeakPolarHBondContact O-CG1 3.29Å; A763-I767 PolarHBondContact O-N 2.67Å; Q764-I767 PolarHBondContact O-N 2.89Å; T765-I767 PolarHBondContact O-N 3.26Å; I767-N769 VanDerWaalsContact C-N 3.28Å; I767-N769 PolarHBondContact O-N 3.33Å; I767-H770 PolarHBondContact O-N 3.41Å; I767-H770 VanDerWaalsContact O-N 3.12Å; I767-E771 HydrophobicContact CG2-CG 4.49Å; I767-E771 WeakPolarHBondContact O-CG 3.46Å; I767-E771 PolarHBondContact O-N 2.99Å |
| 768 | R | 88.5 | Confident | 88.7 | Confident | 119 Ų | 119 | 105.2 Ų | 105.2 | 45% | 0.449 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.1 | -39.9 | 176.3 | -81.3 | 178.5 | -95.4 | 131.2 | -9.2 | 112.5 | Q764 T765 E771 N772 | Q764-R768 PolarHBondContact O-N 3.19Å; Q764-R768 PolarHBondContact O-NE 2.88Å; T765-R768 PolarHBondContact O-N 3.18Å; R768-E771 PolarHBondContact O-N 3.42Å; R768-N772 PolarHBondContact O-N 2.88Å; R768-N772 VanDerWaalsContact O-N 3.1Å |
| 769 | N | 88.4 | Confident | 88.7 | Confident | 97 Ų | 97 | 106 Ų | 106 | 52% | 0.519 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.9 | -43.2 | 176 | -67.7 | -10.3 | 0 | 0 | 0 | 111.8 | T765 R766 I767 E771 N772 L773 | T765-N769 VanDerWaalsContact O-CG 3.26Å; T765-N769 PolarHBondContact O-N 3.15Å; T765-N769 PolarHBondContact O-OD1 3.04Å; R766-N769 PolarHBondContact O-N 2.89Å; I767-N769 VanDerWaalsContact C-N 3.28Å; I767-N769 PolarHBondContact O-N 3.33Å; N769-E771 VanDerWaalsContact C-N 3.34Å; N769-E771 PolarHBondContact O-N 3.35Å; N769-N772 PolarHBondContact O-N 3.35Å; N769-L773 WeakPolarHBondContact O-CG 3.31Å; N769-L773 PolarHBondContact O-N 3.01Å |
| 770 | H | 86.6 | Confident | 88.4 | Confident | 128 Ų | 128 | 105.7 Ų | 105.7 | 59% | 0.593 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.6 | -35.1 | 174.8 | -74.5 | -55.1 | 0 | 0 | 0 | 113.1 | R766 I767 R774 | R766-H770 PolarHBondContact O-CD2 3.13Å; R766-H770 PolarHBondContact O-N 3.16Å; I767-H770 PolarHBondContact O-N 3.41Å; I767-H770 VanDerWaalsContact O-N 3.12Å; H770-R774 WeakPolarHBondContact O-CB 3.49Å; H770-R774 PolarHBondContact O-N 3.36Å |
| 771 | E | 88 | Confident | 88.4 | Confident | 103 Ų | 103 | 107.3 Ų | 107.3 | 48% | 0.481 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.4 | -39.5 | 174.3 | -73.3 | -177.6 | 167.5 | 0 | 0 | 112.5 | I767 R768 N769 R774 K775 | I767-E771 HydrophobicContact CG2-CG 4.49Å; I767-E771 WeakPolarHBondContact O-CG 3.46Å; I767-E771 PolarHBondContact O-N 2.99Å; R768-E771 PolarHBondContact O-N 3.42Å; N769-E771 VanDerWaalsContact C-N 3.34Å; N769-E771 PolarHBondContact O-N 3.35Å; E771-R774 PolarHBondContact O-N 3.3Å; E771-K775 WeakPolarHBondContact O-CG 3.37Å; E771-K775 PolarHBondContact O-N 3.04Å |
| 772 | N | 87.5 | Confident | 88.1 | Confident | 76 Ų | 76 | 104.1 Ų | 104.1 | 41% | 0.406 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.4 | -50.2 | 175.6 | -70.9 | -15.5 | 0 | 0 | 0 | 111.4 | R768 N769 R774 K775 E776 | R768-N772 PolarHBondContact O-N 2.88Å; R768-N772 VanDerWaalsContact O-N 3.1Å; N769-N772 PolarHBondContact O-N 3.35Å; N772-R774 PolarHBondContact O-N 2.89Å; N772-K775 WeakPolarHBondContact O-CA 3.39Å; N772-K775 WeakPolarHBondContact O-CB 3.32Å; N772-K775 PolarHBondContact O-N 3.49Å; N772-E776 PolarHBondContact O-N 2.97Å |
| 773 | L | 85.3 | Confident | 87.8 | Confident | 99 Ų | 99 | 104 Ų | 104 | 52% | 0.518 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -56 | -34.8 | 173.2 | -71.3 | 166.9 | 0 | 0 | 0 | 112.4 | N769 L777 | N769-L773 WeakPolarHBondContact O-CG 3.31Å; N769-L773 PolarHBondContact O-N 3.01Å; L773-L777 VanDerWaalsContact O-CB 3.31Å; L773-L777 WeakPolarHBondContact O-CB 3.36Å; L773-L777 PolarHBondContact O-N 2.98Å |
| 774 | R | 90.4 | Very high | 87.2 | Confident | 172 Ų | 172 | 106.8 Ų | 106.8 | 65% | 0.649 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -72.7 | -29.6 | 176.4 | -169.1 | 177.9 | -173 | -170.1 | 3.5 | 112.9 | H770 E771 N772 K778 | H770-R774 WeakPolarHBondContact O-CB 3.49Å; H770-R774 PolarHBondContact O-N 3.36Å; E771-R774 PolarHBondContact O-N 3.3Å; N772-R774 PolarHBondContact O-N 2.89Å; R774-K778 WeakPolarHBondContact O-CG 3.42Å; R774-K778 PolarHBondContact O-N 3.08Å |
| 775 | K | 89.3 | Confident | 86.7 | Confident | 128 Ų | 128 | 106.5 Ų | 106.5 | 56% | 0.557 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -70.2 | -47.2 | 171.1 | -69.8 | 165.3 | -170.6 | 164.5 | 0 | 110.3 | E771 N772 L777 K778 Q779 | E771-K775 WeakPolarHBondContact O-CG 3.37Å; E771-K775 PolarHBondContact O-N 3.04Å; N772-K775 WeakPolarHBondContact O-CA 3.39Å; N772-K775 WeakPolarHBondContact O-CB 3.32Å; N772-K775 PolarHBondContact O-N 3.49Å; K775-L777 PolarHBondContact O-N 2.82Å; K775-K778 WeakPolarHBondContact O-CB 3.47Å; K775-K778 PolarHBondContact O-N 2.74Å; K775-K778 VanDerWaalsContact O-N 3.13Å; K775-Q779 PolarHBondContact O-N 3.4Å |
| 776 | E | 88.4 | Confident | 86.3 | Confident | 112 Ų | 112 | 106.3 Ų | 106.3 | 52% | 0.523 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -57.2 | -47.7 | 175.1 | -69.1 | 165.5 | -167.5 | 0 | 0 | 111.4 | N772 K778 Q779 Q780 | N772-E776 PolarHBondContact O-N 2.97Å; E776-K778 VanDerWaalsContact C-N 3.32Å; E776-K778 PolarHBondContact O-N 3.47Å; E776-Q779 PolarHBondContact O-N 3.22Å; E776-Q779 VanDerWaalsContact O-N 3.15Å; E776-Q780 WeakPolarHBondContact O-CG 3.25Å; E776-Q780 PolarHBondContact O-N 2.75Å |
| 777 | L | 87 | Confident | 85.8 | Confident | 104 Ų | 104 | 105.2 Ų | 105.2 | 55% | 0.545 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.1 | -39.7 | 175.3 | -173.5 | 78.4 | 0 | 0 | 0 | 112.6 | L773 K775 K781 | L773-L777 VanDerWaalsContact O-CB 3.31Å; L773-L777 WeakPolarHBondContact O-CB 3.36Å; L773-L777 PolarHBondContact O-N 2.98Å; K775-L777 PolarHBondContact O-N 2.82Å; L777-K781 WeakPolarHBondContact O-CB 3.4Å; L777-K781 WeakPolarHBondContact O-CG 3.43Å; L777-K781 PolarHBondContact O-N 3.21Å |
| 778 | K | 88.4 | Confident | 85.3 | Confident | 141 Ų | 141 | 106 Ų | 106 | 61% | 0.613 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.7 | -41 | 176 | -81 | 179.5 | 174.7 | -170.2 | 0 | 111.6 | R774 K775 E776 K781 A782 | R774-K778 WeakPolarHBondContact O-CG 3.42Å; R774-K778 PolarHBondContact O-N 3.08Å; K775-K778 WeakPolarHBondContact O-CB 3.47Å; K775-K778 PolarHBondContact O-N 2.74Å; K775-K778 VanDerWaalsContact O-N 3.13Å; E776-K778 VanDerWaalsContact C-N 3.32Å; E776-K778 PolarHBondContact O-N 3.47Å; K778-K781 PolarHBondContact O-N 2.9Å; K778-A782 PolarHBondContact O-N 3.33Å |
| 779 | Q | 90.5 | Very high | 84.9 | Confident | 117 Ų | 117 | 104.2 Ų | 104.2 | 55% | 0.547 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.6 | -48.6 | 176.9 | -179.2 | 174.1 | -15.8 | 0 | 0 | 111.1 | K775 E776 K781 A782 E783 | K775-Q779 PolarHBondContact O-N 3.4Å; E776-Q779 PolarHBondContact O-N 3.22Å; E776-Q779 VanDerWaalsContact O-N 3.15Å; Q779-K781 VanDerWaalsContact C-N 3.3Å; Q779-K781 PolarHBondContact O-N 3.02Å; Q779-A782 WeakPolarHBondContact O-CB 3.48Å; Q779-A782 PolarHBondContact O-N 3.09Å; Q779-E783 WeakPolarHBondContact CG-OE1 3.24Å; Q779-E783 PolarHBondContact NE2-OE1 3Å; Q779-E783 VanDerWaalsContact NE2-OE1 3.07Å; Q779-E783 PolarHBondContact O-N 3.25Å |
| 780 | Q | 85.1 | Confident | 84.3 | Confident | 105 Ų | 105 | 104.8 Ų | 104.8 | 49% | 0.491 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.9 | -39.5 | 174.8 | -72.4 | -61.3 | -66.1 | 0 | 0 | 112.3 | E776 E783 M784 | E776-Q780 WeakPolarHBondContact O-CG 3.25Å; E776-Q780 PolarHBondContact O-N 2.75Å; Q780-E783 PolarHBondContact NE2-OE2 3.28Å; Q780-E783 PolarHBondContact O-N 2.99Å; Q780-M784 WeakPolarHBondContact O-CB 3.5Å; Q780-M784 VanDerWaalsContact O-CG 3.31Å; Q780-M784 WeakPolarHBondContact O-CG 3.42Å; Q780-M784 PolarHBondContact O-N 2.85Å |
| 781 | K | 87.8 | Confident | 83.5 | Confident | 135 Ų | 135 | 102.7 Ų | 102.7 | 59% | 0.587 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63 | -41.8 | 172.2 | -79.6 | -173.1 | 174.6 | -165.1 | 0 | 112.8 | L777 K778 Q779 M784 T785 | L777-K781 WeakPolarHBondContact O-CB 3.4Å; L777-K781 WeakPolarHBondContact O-CG 3.43Å; L777-K781 PolarHBondContact O-N 3.21Å; K778-K781 PolarHBondContact O-N 2.9Å; Q779-K781 VanDerWaalsContact C-N 3.3Å; Q779-K781 PolarHBondContact O-N 3.02Å; K781-M784 PolarHBondContact O-N 3.09Å; K781-T785 PolarHBondContact O-N 2.91Å; K781-T785 PolarHBondContact O-OG1 3.2Å; K781-T785 VanDerWaalsContact O-OG1 3.08Å |
| 782 | A | 82.4 | Confident | 82.9 | Confident | 63 Ų | 63 | 100.4 Ų | 100.4 | 52% | 0.521 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.5 | -40 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | K778 Q779 T785 A786 | K778-A782 PolarHBondContact O-N 3.33Å; Q779-A782 WeakPolarHBondContact O-CB 3.48Å; Q779-A782 PolarHBondContact O-N 3.09Å; A782-T785 PolarHBondContact O-N 3.33Å; A782-A786 WeakPolarHBondContact O-CB 3.35Å; A782-A786 PolarHBondContact O-N 3.02Å |
| 783 | E | 83.1 | Confident | 82.4 | Confident | 78 Ų | 78 | 98.5 Ų | 98.5 | 36% | 0.364 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.1 | -45 | 173.2 | -73.3 | 169.9 | -161.3 | 0 | 0 | 111.4 | Q779 Q780 A786 Q787 | Q779-E783 WeakPolarHBondContact CG-OE1 3.24Å; Q779-E783 PolarHBondContact NE2-OE1 3Å; Q779-E783 VanDerWaalsContact NE2-OE1 3.07Å; Q779-E783 PolarHBondContact O-N 3.25Å; Q780-E783 PolarHBondContact NE2-OE2 3.28Å; Q780-E783 PolarHBondContact O-N 2.99Å; E783-A786 PolarHBondContact O-N 3.2Å; E783-Q787 WeakPolarHBondContact O-CG 3.39Å; E783-Q787 PolarHBondContact O-N 3.48Å |
| 784 | M | 76.5 | Confident | 81.7 | Confident | 94 Ų | 94 | 98.9 Ų | 98.9 | 46% | 0.463 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.3 | -45.7 | 174.1 | -72.7 | -58.5 | -53.7 | 0 | 0 | 112.4 | Q780 K781 A786 Q787 E788 | Q780-M784 WeakPolarHBondContact O-CB 3.5Å; Q780-M784 VanDerWaalsContact O-CG 3.31Å; Q780-M784 WeakPolarHBondContact O-CG 3.42Å; Q780-M784 PolarHBondContact O-N 2.85Å; K781-M784 PolarHBondContact O-N 3.09Å; M784-A786 VanDerWaalsContact C-N 3.31Å; M784-A786 PolarHBondContact O-N 2.88Å; M784-Q787 PolarHBondContact O-N 2.67Å; M784-E788 WeakPolarHBondContact O-CG 3.38Å; M784-E788 PolarHBondContact O-N 3.13Å |
| 785 | T | 80.2 | Confident | 80.8 | Confident | 84 Ų | 84 | 97.5 Ų | 97.5 | 52% | 0.515 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.4 | -33.8 | 177.7 | -58.1 | 0 | 0 | 0 | 0 | 112.3 | K781 A782 S789 | K781-T785 PolarHBondContact O-N 2.91Å; K781-T785 PolarHBondContact O-OG1 3.2Å; K781-T785 VanDerWaalsContact O-OG1 3.08Å; A782-T785 PolarHBondContact O-N 3.33Å; T785-S789 WeakPolarHBondContact O-CB 3.33Å; T785-S789 PolarHBondContact O-N 2.79Å |
| 786 | A | 78.9 | Confident | 79.8 | Confident | 53 Ų | 53 | 93.6 Ų | 93.6 | 44% | 0.438 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.6 | -42.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A782 E783 M784 S789 I790 | A782-A786 WeakPolarHBondContact O-CB 3.35Å; A782-A786 PolarHBondContact O-N 3.02Å; E783-A786 PolarHBondContact O-N 3.2Å; M784-A786 VanDerWaalsContact C-N 3.31Å; M784-A786 PolarHBondContact O-N 2.88Å; A786-S789 WeakPolarHBondContact O-CB 3.32Å; A786-S789 PolarHBondContact O-N 2.66Å; A786-I790 WeakPolarHBondContact O-CG1 3.31Å; A786-I790 PolarHBondContact O-N 3.47Å |
| 787 | Q | 80.4 | Confident | 78.6 | Confident | 103 Ų | 103 | 94 Ų | 94 | 48% | 0.481 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65 | -42.5 | 174 | -70.2 | 176.9 | 9.1 | 0 | 0 | 112.3 | E783 M784 S789 I790 I791 | E783-Q787 WeakPolarHBondContact O-CG 3.39Å; E783-Q787 PolarHBondContact O-N 3.48Å; M784-Q787 PolarHBondContact O-N 2.67Å; Q787-S789 VanDerWaalsContact C-N 3.29Å; Q787-S789 PolarHBondContact O-N 3.37Å; Q787-I790 PolarHBondContact O-N 3.37Å; Q787-I791 WeakPolarHBondContact O-CB 3.32Å; Q787-I791 VanDerWaalsContact O-CG1 3.26Å; Q787-I791 WeakPolarHBondContact O-CG1 3.37Å; Q787-I791 PolarHBondContact O-N 2.82Å |
| 788 | E | 79.2 | Confident | 76.9 | Confident | 114 Ų | 114 | 99.1 Ų | 99.1 | 53% | 0.533 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.4 | -40.1 | 173.6 | -74.4 | 173.9 | 159.8 | 0 | 0 | 111.6 | M784 I791 A792 | M784-E788 WeakPolarHBondContact O-CG 3.38Å; M784-E788 PolarHBondContact O-N 3.13Å; E788-I791 PolarHBondContact O-N 3.11Å; E788-A792 VanDerWaalsContact O-CB 3.27Å; E788-A792 WeakPolarHBondContact O-CB 3.42Å; E788-A792 PolarHBondContact O-N 3.48Å |
| 789 | S | 78.8 | Confident | 75.7 | Confident | 83 Ų | 83 | 99.4 Ų | 99.4 | 58% | 0.58 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.8 | -44.3 | 175 | -178.2 | 0 | 0 | 0 | 0 | 112.3 | T785 A786 Q787 A792 G793 | T785-S789 WeakPolarHBondContact O-CB 3.33Å; T785-S789 PolarHBondContact O-N 2.79Å; A786-S789 WeakPolarHBondContact O-CB 3.32Å; A786-S789 PolarHBondContact O-N 2.66Å; Q787-S789 VanDerWaalsContact C-N 3.29Å; Q787-S789 PolarHBondContact O-N 3.37Å; S789-A792 PolarHBondContact O-N 3.08Å; S789-G793 PolarHBondContact O-N 3.01Å |
| 790 | I | 76 | Confident | 74.3 | Confident | 109 Ų | 109 | 98.4 Ų | 98.4 | 56% | 0.559 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.7 | -46.1 | 174.6 | -67 | 163.5 | 0 | 0 | 0 | 110.5 | A786 Q787 A792 G793 L794 | A786-I790 WeakPolarHBondContact O-CG1 3.31Å; A786-I790 PolarHBondContact O-N 3.47Å; Q787-I790 PolarHBondContact O-N 3.37Å; I790-A792 VanDerWaalsContact C-N 3.31Å; I790-A792 PolarHBondContact O-N 3.23Å; I790-G793 PolarHBondContact O-N 2.94Å; I790-L794 HydrophobicContact CG2-CD1 4Å; I790-L794 WeakPolarHBondContact O-CG 3.43Å; I790-L794 PolarHBondContact O-N 2.91Å |
| 791 | I | 71 | Confident | 72.4 | Confident | 84 Ų | 84 | 103.3 Ų | 103.3 | 43% | 0.431 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.3 | -39 | 176.8 | -68.5 | 164.1 | 0 | 0 | 0 | 111.2 | Q787 E788 K795 | Q787-I791 WeakPolarHBondContact O-CB 3.32Å; Q787-I791 VanDerWaalsContact O-CG1 3.26Å; Q787-I791 WeakPolarHBondContact O-CG1 3.37Å; Q787-I791 PolarHBondContact O-N 2.82Å; E788-I791 PolarHBondContact O-N 3.11Å; I791-K795 HydrophobicContact CG2-CD 4.03Å; I791-K795 WeakPolarHBondContact O-CB 3.31Å; I791-K795 VanDerWaalsContact O-CG 3.26Å; I791-K795 WeakPolarHBondContact O-CG 3.5Å; I791-K795 PolarHBondContact O-N 3.38Å |
| 792 | A | 73.7 | Confident | 70.5 | Confident | 55 Ų | 55 | 99.2 Ų | 99.2 | 46% | 0.455 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.6 | -42.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E788 S789 I790 K795 A796 | E788-A792 VanDerWaalsContact O-CB 3.27Å; E788-A792 WeakPolarHBondContact O-CB 3.42Å; E788-A792 PolarHBondContact O-N 3.48Å; S789-A792 PolarHBondContact O-N 3.08Å; I790-A792 VanDerWaalsContact C-N 3.31Å; I790-A792 PolarHBondContact O-N 3.23Å; A792-K795 PolarHBondContact O-N 2.92Å; A792-A796 WeakPolarHBondContact O-CB 3.29Å; A792-A796 PolarHBondContact O-N 2.86Å |
| 793 | G | 77.5 | Confident | 68.7 | Low | 36 Ų | 36 | 98.6 Ų | 98.6 | 37% | 0.371 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -57.7 | -52.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S789 I790 K795 A796 E797 | S789-G793 PolarHBondContact O-N 3.01Å; I790-G793 PolarHBondContact O-N 2.94Å; G793-K795 VanDerWaalsContact C-N 3.31Å; G793-K795 PolarHBondContact O-N 3.22Å; G793-A796 WeakPolarHBondContact O-CB 3.46Å; G793-A796 PolarHBondContact O-N 3.1Å; G793-E797 PolarHBondContact O-N 3.38Å |
| 794 | L | 71.2 | Confident | 66.8 | Low | 106 Ų | 106 | 100.2 Ų | 100.2 | 56% | 0.555 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.8 | -35.1 | 178.2 | -66.8 | 169.5 | 0 | 0 | 0 | 113 | I790 R798 | I790-L794 HydrophobicContact CG2-CD1 4Å; I790-L794 WeakPolarHBondContact O-CG 3.43Å; I790-L794 PolarHBondContact O-N 2.91Å; L794-R798 PolarHBondContact O-N 3.3Å |
| 795 | K | 71.8 | Confident | 64.9 | Low | 144 Ų | 144 | 103 Ų | 103 | 63% | 0.626 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -69.5 | -38.4 | 172.3 | -77.2 | 173.9 | -179.4 | 175.9 | 0 | 112.2 | I791 A792 G793 R798 R799 | I791-K795 HydrophobicContact CG2-CD 4.03Å; I791-K795 WeakPolarHBondContact O-CB 3.31Å; I791-K795 VanDerWaalsContact O-CG 3.26Å; I791-K795 WeakPolarHBondContact O-CG 3.5Å; I791-K795 PolarHBondContact O-N 3.38Å; A792-K795 PolarHBondContact O-N 2.92Å; G793-K795 VanDerWaalsContact C-N 3.31Å; G793-K795 PolarHBondContact O-N 3.22Å; K795-R798 PolarHBondContact O-N 3.23Å; K795-R799 WeakPolarHBondContact O-CB 3.39Å; K795-R799 PolarHBondContact O-N 3.12Å |
| 796 | A | 67.4 | Low | 63.1 | Low | 45 Ų | 45 | 102.3 Ų | 102.3 | 37% | 0.372 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.8 | -42.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | A792 G793 R799 N800 | A792-A796 WeakPolarHBondContact O-CB 3.29Å; A792-A796 PolarHBondContact O-N 2.86Å; G793-A796 WeakPolarHBondContact O-CB 3.46Å; G793-A796 PolarHBondContact O-N 3.1Å; A796-R799 PolarHBondContact O-N 3.34Å; A796-N800 WeakPolarHBondContact O-CB 3.26Å; A796-N800 VanDerWaalsContact O-CG 3.24Å; A796-N800 PolarHBondContact O-N 2.71Å; A796-N800 PolarHBondContact O-OD1 3.02Å |
| 797 | E | 62.9 | Low | 61.3 | Low | 120 Ų | 120 | 104.6 Ų | 104.6 | 56% | 0.561 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -58 | -51.8 | 171.6 | -72.3 | -176.9 | 150.4 | 0 | 0 | 111.2 | G793 R799 N800 W801 | G793-E797 PolarHBondContact O-N 3.38Å; E797-R799 VanDerWaalsContact C-N 3.26Å; E797-R799 PolarHBondContact O-N 2.83Å; E797-N800 PolarHBondContact O-N 2.92Å; E797-N800 VanDerWaalsContact O-N 3.17Å; E797-W801 PolarHBondContact O-N 2.95Å |
| 798 | R | 52.6 | Low | 59.1 | Low | 212 Ų | 212 | 107.2 Ų | 107.2 | 80% | 0.8 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -56 | -40 | 176.3 | -178.2 | 179.3 | -73.1 | -164.5 | -3.2 | 112.5 | L794 K795 G802 | L794-R798 PolarHBondContact O-N 3.3Å; K795-R798 PolarHBondContact O-N 3.23Å; R798-G802 PolarHBondContact O-N 2.84Å |
| 799 | R | 62.6 | Low | 57.2 | Low | 147 Ų | 147 | 105.3 Ų | 105.3 | 56% | 0.555 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -69.3 | -42.8 | 178.3 | 175.7 | 171.2 | 155.6 | 59.5 | 16 | 112 | K795 A796 E797 G802 E803 | K795-R799 WeakPolarHBondContact O-CB 3.39Å; K795-R799 PolarHBondContact O-N 3.12Å; A796-R799 PolarHBondContact O-N 3.34Å; E797-R799 VanDerWaalsContact C-N 3.26Å; E797-R799 PolarHBondContact O-N 2.83Å; R799-G802 PolarHBondContact O-N 2.92Å; R799-E803 VanDerWaalsContact CZ-CD 3.48Å; R799-E803 IonicContact CZ-OE1 3.78Å; R799-E803 IonicContact CZ-OE2 3.48Å; R799-E803 IonicContact NH1-OE1 3.75Å; R799-E803 PolarHBondContact NH1-OE1 2.8Å; R799-E803 IonicContact NH2-OE1 3.68Å; R799-E803 PolarHBondContact NH2-OE1 3.3Å; R799-E803 IonicContact NH2-OE2 3.19Å; R799-E803 PolarHBondContact NH2-OE2 2.82Å; R799-E803 VanDerWaalsContact NH2-OE2 3.15Å; R799-E803 PolarHBondContact O-N 3.35Å |
| 800 | N | 61.1 | Low | 55.2 | Low | 96 Ų | 96 | 105 Ų | 105 | 51% | 0.513 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -64.4 | -41.7 | 179.1 | -72.4 | -7.6 | 0 | 0 | 0 | 111.5 | A796 E797 G802 E803 E804 | A796-N800 WeakPolarHBondContact O-CB 3.26Å; A796-N800 VanDerWaalsContact O-CG 3.24Å; A796-N800 PolarHBondContact O-N 2.71Å; A796-N800 PolarHBondContact O-OD1 3.02Å; E797-N800 PolarHBondContact O-N 2.92Å; E797-N800 VanDerWaalsContact O-N 3.17Å; N800-G802 VanDerWaalsContact C-N 3.28Å; N800-G802 PolarHBondContact O-N 3.39Å; N800-E803 PolarHBondContact O-N 3.03Å; N800-E804 WeakPolarHBondContact O-CB 3.37Å; N800-E804 PolarHBondContact O-N 3.11Å |
| 801 | W | 44.6 | Very low | 53.4 | Low | 209 Ų | 209 | 101.8 Ų | 101.8 | 79% | 0.792 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.4 | -32.2 | 175.6 | -74.4 | 51.7 | 0 | 0 | 0 | 112.5 | E797 | E797-W801 PolarHBondContact O-N 2.95Å |
| 802 | G | 49.4 | Very low | 51.8 | Low | 48 Ų | 48 | 105.9 Ų | 105.9 | 50% | 0.495 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -74.4 | -36.7 | 173 | 0 | 0 | 0 | 0 | 0 | 114 | R798 R799 N800 | R798-G802 PolarHBondContact O-N 2.84Å; R799-G802 PolarHBondContact O-N 2.92Å; N800-G802 VanDerWaalsContact C-N 3.28Å; N800-G802 PolarHBondContact O-N 3.39Å |
| 803 | E | 44.9 | Very low | 50.1 | Low | 51 Ų | 51 | 107.8 Ų | 107.8 | 24% | 0.238 | 58% | 0.583 | C | S | . | * | H | α-helix | trans | -77.7 | -29.9 | 179.3 | -71.8 | -157.9 | 154.2 | 0 | 0 | 113.5 | R799 N800 L805 A806 K807 | R799-E803 VanDerWaalsContact CZ-CD 3.48Å; R799-E803 IonicContact CZ-OE1 3.78Å; R799-E803 IonicContact CZ-OE2 3.48Å; R799-E803 IonicContact NH1-OE1 3.75Å; R799-E803 PolarHBondContact NH1-OE1 2.8Å; R799-E803 IonicContact NH2-OE1 3.68Å; R799-E803 PolarHBondContact NH2-OE1 3.3Å; R799-E803 IonicContact NH2-OE2 3.19Å; R799-E803 PolarHBondContact NH2-OE2 2.82Å; R799-E803 VanDerWaalsContact NH2-OE2 3.15Å; R799-E803 PolarHBondContact O-N 3.35Å; N800-E803 PolarHBondContact O-N 3.03Å; E803-L805 VanDerWaalsContact C-N 3.35Å; E803-L805 PolarHBondContact O-N 2.85Å; E803-A806 PolarHBondContact O-N 3.46Å; E803-K807 HydrophobicContact CB-CD 4.35Å; E803-K807 WeakPolarHBondContact O-CB 3.45Å; E803-K807 WeakPolarHBondContact O-CG 3.47Å; E803-K807 PolarHBondContact O-N 2.96Å; E803-K807 WeakPolarHBondContact OE2-CE 3.49Å; E803-K807 IonicContact OE2-NZ 2.66Å; E803-K807 PolarHBondContact OE2-NZ 2.97Å |
| 804 | E | 41.9 | Very low | 48.7 | Very low | 111 Ų | 111 | 111.1 Ų | 111.1 | 52% | 0.519 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -68.5 | -35.3 | -178.5 | -158.2 | 55.8 | -146.9 | 0 | 0 | 112.1 | N800 A806 | N800-E804 WeakPolarHBondContact O-CB 3.37Å; N800-E804 PolarHBondContact O-N 3.11Å; E804-A806 PolarHBondContact O-N 3.26Å |
| 805 | L | 36.3 | Very low | 47.3 | Very low | 154 Ų | 154 | 109.6 Ų | 109.6 | 81% | 0.806 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -65.8 | -23.4 | 170.4 | -89.2 | 163.1 | 0 | 0 | 0 | 113.7 | E803 | E803-L805 VanDerWaalsContact C-N 3.35Å; E803-L805 PolarHBondContact O-N 2.85Å |
| 806 | A | 43.3 | Very low | 45.8 | Very low | 68 Ų | 68 | 112.2 Ų | 112.2 | 56% | 0.562 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -94.2 | -34.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | E803 E804 G809 | E803-A806 PolarHBondContact O-N 3.46Å; E804-A806 PolarHBondContact O-N 3.26Å; A806-G809 PolarHBondContact O-N 2.88Å |
| 807 | K | 40.9 | Very low | 44.9 | Very low | 101 Ų | 101 | 112.2 Ų | 112.2 | 44% | 0.439 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -76.4 | -26.9 | -171.7 | -80 | 174.7 | -175.6 | 161 | 0 | 114.7 | E803 G809 S810 A811 | E803-K807 HydrophobicContact CB-CD 4.35Å; E803-K807 WeakPolarHBondContact O-CB 3.45Å; E803-K807 WeakPolarHBondContact O-CG 3.47Å; E803-K807 PolarHBondContact O-N 2.96Å; E803-K807 WeakPolarHBondContact OE2-CE 3.49Å; E803-K807 IonicContact OE2-NZ 2.66Å; E803-K807 PolarHBondContact OE2-NZ 2.97Å; K807-G809 PolarHBondContact O-N 2.83Å; K807-S810 PolarHBondContact O-N 2.88Å; K807-A811 PolarHBondContact O-N 3.4Å |
| 808 | Q | 33.8 | Very low | 44.6 | Very low | 159 Ų | 159 | 113.3 Ų | 113.3 | 74% | 0.743 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.5 | -24 | 173.5 | -69.5 | -175.1 | 3.6 | 0 | 0 | 112.6 | ||
| 809 | G | 39.4 | Very low | 44.3 | Very low | 74 Ų | 74 | 108.1 Ų | 108.1 | 76% | 0.763 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -19.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | A806 K807 | A806-G809 PolarHBondContact O-N 2.88Å; K807-G809 PolarHBondContact O-N 2.83Å |
| 810 | S | 37.9 | Very low | 43.7 | Very low | 76 Ų | 76 | 107.2 Ų | 107.2 | 53% | 0.531 | 58% | 0.581 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -143.2 | -0.3 | -172.2 | 90.2 | 0 | 0 | 0 | 0 | 117.8 | K807 L812 | K807-S810 PolarHBondContact O-N 2.88Å; S810-L812 PolarHBondContact O-N 2.89Å |
| 811 | A | 38.5 | Very low | 43.7 | Very low | 41 Ų | 41 | 105.6 Ų | 105.6 | 34% | 0.339 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -60 | -48.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | K807 A813 Q814 D815 | K807-A811 PolarHBondContact O-N 3.4Å; A811-A813 PolarHBondContact O-N 3.49Å; A811-Q814 PolarHBondContact O-N 3.31Å; A811-D815 PolarHBondContact O-N 3.31Å |
| 812 | L | 37.4 | Very low | 44.6 | Very low | 171 Ų | 171 | 101.3 Ų | 101.3 | 90% | 0.895 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -58.9 | -22.7 | -169.4 | -81.1 | 161.8 | 0 | 0 | 0 | 116.1 | S810 | S810-L812 PolarHBondContact O-N 2.89Å |
| 813 | A | 37.3 | Very low | 45.3 | Very low | 94 Ų | 94 | 103.6 Ų | 103.6 | 78% | 0.777 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -93.1 | -24.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A811 | A811-A813 PolarHBondContact O-N 3.49Å |
| 814 | Q | 46.8 | Very low | 46.5 | Very low | 106 Ų | 106 | 107.7 Ų | 107.7 | 50% | 0.495 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -90.2 | -26.6 | -174.7 | -163.1 | 175.1 | 25.5 | 0 | 0 | 112.7 | A811 R816 G817 R818 | A811-Q814 PolarHBondContact O-N 3.31Å; Q814-R816 VanDerWaalsContact C-N 3.33Å; Q814-R816 PolarHBondContact O-N 3.35Å; Q814-G817 PolarHBondContact O-N 2.87Å; Q814-R818 WeakPolarHBondContact O-CB 3.35Å; Q814-R818 PolarHBondContact O-N 3.25Å; Q814-R818 VanDerWaalsContact O-N 3.16Å |
| 815 | D | 43 | Very low | 48.2 | Very low | 75 Ų | 75 | 105.1 Ų | 105.1 | 40% | 0.401 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.4 | -34.2 | -173 | -71.6 | -31.5 | 0 | 0 | 0 | 113.6 | A811 R818 L819 | A811-D815 PolarHBondContact O-N 3.31Å; D815-R818 PolarHBondContact O-N 3.43Å; D815-L819 WeakPolarHBondContact O-CG 3.27Å; D815-L819 PolarHBondContact O-N 3.01Å; D815-L819 VanDerWaalsContact O-N 3.14Å |
| 816 | R | 40.1 | Very low | 50 | Low | 198 Ų | 198 | 102.5 Ų | 102.5 | 75% | 0.747 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -62.8 | -51 | 179.9 | -175.3 | 172.9 | 171.4 | 169.3 | -2.9 | 112.9 | Q814 R818 L819 | Q814-R816 VanDerWaalsContact C-N 3.33Å; Q814-R816 PolarHBondContact O-N 3.35Å; R816-R818 VanDerWaalsContact C-N 3.31Å; R816-R818 PolarHBondContact O-N 3.5Å; R816-L819 PolarHBondContact O-N 2.91Å |
| 817 | G | 48.4 | Very low | 51.5 | Low | 46 Ų | 46 | 105.6 Ų | 105.6 | 47% | 0.474 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -71.5 | -25.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q814 A821 | Q814-G817 PolarHBondContact O-N 2.87Å; G817-A821 PolarHBondContact O-N 3.3Å |
| 818 | R | 56.4 | Low | 53.3 | Low | 143 Ų | 143 | 106.7 Ų | 106.7 | 54% | 0.54 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -69.7 | -31 | 174.8 | -102.1 | -178.3 | 166 | -175.7 | -2.3 | 113.6 | Q814 D815 R816 K822 | Q814-R818 WeakPolarHBondContact O-CB 3.35Å; Q814-R818 PolarHBondContact O-N 3.25Å; Q814-R818 VanDerWaalsContact O-N 3.16Å; D815-R818 PolarHBondContact O-N 3.43Å; R816-R818 VanDerWaalsContact C-N 3.31Å; R816-R818 PolarHBondContact O-N 3.5Å; R818-K822 VanDerWaalsContact O-CB 3.25Å; R818-K822 WeakPolarHBondContact O-CB 3.48Å; R818-K822 VanDerWaalsContact O-CG 3.32Å; R818-K822 WeakPolarHBondContact O-CG 3.39Å; R818-K822 PolarHBondContact O-N 3.38Å |
| 819 | L | 45.8 | Very low | 55.7 | Low | 102 Ų | 102 | 104.7 Ų | 104.7 | 53% | 0.534 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -72.3 | -41.8 | -179.2 | -72.8 | 168.4 | 0 | 0 | 0 | 111.8 | D815 R816 K822 I823 | D815-L819 WeakPolarHBondContact O-CG 3.27Å; D815-L819 PolarHBondContact O-N 3.01Å; D815-L819 VanDerWaalsContact O-N 3.14Å; R816-L819 PolarHBondContact O-N 2.91Å; L819-K822 WeakPolarHBondContact O-CB 3.38Å; L819-K822 PolarHBondContact O-N 2.8Å; L819-I823 WeakPolarHBondContact O-CG1 3.3Å; L819-I823 PolarHBondContact O-N 2.78Å |
| 820 | E | 51.6 | Low | 57.6 | Low | 129 Ų | 129 | 105.4 Ų | 105.4 | 60% | 0.603 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.2 | -48.4 | 178.4 | -68 | 169 | -176.3 | 0 | 0 | 111.2 | K822 I823 E824 | E820-K822 VanDerWaalsContact C-N 3.31Å; E820-K822 PolarHBondContact O-N 2.9Å; E820-I823 PolarHBondContact O-N 3.04Å; E820-E824 PolarHBondContact O-N 3.46Å |
| 821 | A | 60.2 | Low | 59.6 | Low | 61 Ų | 61 | 104.4 Ų | 104.4 | 50% | 0.504 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.2 | -27.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | G817 A825 | G817-A821 PolarHBondContact O-N 3.3Å; A821-A825 VanDerWaalsContact O-CB 3.29Å; A821-A825 WeakPolarHBondContact O-CB 3.22Å; A821-A825 PolarHBondContact O-N 3.35Å |
| 822 | K | 64.4 | Low | 61.8 | Low | 119 Ų | 119 | 104.5 Ų | 104.5 | 52% | 0.517 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67 | -41.3 | 172.8 | -95.1 | -177.2 | 173 | -176.8 | 0 | 111.9 | R818 L819 E820 A825 Q826 | R818-K822 VanDerWaalsContact O-CB 3.25Å; R818-K822 WeakPolarHBondContact O-CB 3.48Å; R818-K822 VanDerWaalsContact O-CG 3.32Å; R818-K822 WeakPolarHBondContact O-CG 3.39Å; R818-K822 PolarHBondContact O-N 3.38Å; L819-K822 WeakPolarHBondContact O-CB 3.38Å; L819-K822 PolarHBondContact O-N 2.8Å; E820-K822 VanDerWaalsContact C-N 3.31Å; E820-K822 PolarHBondContact O-N 2.9Å; K822-A825 PolarHBondContact O-N 2.99Å; K822-Q826 VanDerWaalsContact O-CB 3.23Å; K822-Q826 WeakPolarHBondContact O-CB 3.49Å; K822-Q826 WeakPolarHBondContact O-CG 3.09Å; K822-Q826 PolarHBondContact O-N 3.34Å |
| 823 | I | 62.1 | Low | 63.8 | Low | 96 Ų | 96 | 101.1 Ų | 101.1 | 49% | 0.492 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.4 | -49.5 | -177.2 | -68.9 | 162.5 | 0 | 0 | 0 | 110.1 | L819 E820 A825 Q826 E827 | L819-I823 WeakPolarHBondContact O-CG1 3.3Å; L819-I823 PolarHBondContact O-N 2.78Å; E820-I823 PolarHBondContact O-N 3.04Å; I823-A825 PolarHBondContact O-N 3.32Å; I823-Q826 PolarHBondContact O-N 3.48Å; I823-E827 WeakPolarHBondContact O-CG 3.34Å; I823-E827 PolarHBondContact O-N 2.88Å |
| 824 | E | 70.2 | Confident | 65.9 | Low | 138 Ų | 138 | 103.6 Ų | 103.6 | 65% | 0.645 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.1 | -42 | 177.8 | -172.5 | 177.4 | -162 | 0 | 0 | 112.3 | E820 Q826 E827 L828 | E820-E824 PolarHBondContact O-N 3.46Å; E824-Q826 PolarHBondContact O-N 3.2Å; E824-E827 PolarHBondContact O-N 2.87Å; E824-L828 PolarHBondContact O-N 3.08Å; E824-L828 VanDerWaalsContact O-N 3.15Å |
| 825 | A | 77.8 | Confident | 67.7 | Low | 57 Ų | 57 | 105.3 Ų | 105.3 | 47% | 0.471 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.4 | -40.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A821 K822 I823 E829 | A821-A825 VanDerWaalsContact O-CB 3.29Å; A821-A825 WeakPolarHBondContact O-CB 3.22Å; A821-A825 PolarHBondContact O-N 3.35Å; K822-A825 PolarHBondContact O-N 2.99Å; I823-A825 PolarHBondContact O-N 3.32Å; A825-E829 VanDerWaalsContact O-CB 3.26Å; A825-E829 WeakPolarHBondContact O-CB 3.35Å; A825-E829 PolarHBondContact O-N 2.93Å |
| 826 | Q | 75.5 | Confident | 69.7 | Low | 99 Ų | 99 | 104.6 Ų | 104.6 | 46% | 0.463 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -70.3 | -34 | 178 | -76.5 | 178.5 | -45.5 | 0 | 0 | 112.3 | K822 I823 E824 E829 I830 | K822-Q826 VanDerWaalsContact O-CB 3.23Å; K822-Q826 WeakPolarHBondContact O-CB 3.49Å; K822-Q826 WeakPolarHBondContact O-CG 3.09Å; K822-Q826 PolarHBondContact O-N 3.34Å; I823-Q826 PolarHBondContact O-N 3.48Å; E824-Q826 PolarHBondContact O-N 3.2Å; Q826-E829 PolarHBondContact O-N 3.2Å; Q826-I830 VanDerWaalsContact O-CB 3.29Å; Q826-I830 WeakPolarHBondContact O-CB 3.39Å; Q826-I830 WeakPolarHBondContact O-CD1 3.43Å; Q826-I830 WeakPolarHBondContact O-CG1 3.47Å; Q826-I830 PolarHBondContact O-N 3.1Å |
| 827 | E | 74.3 | Confident | 71.9 | Confident | 132 Ų | 132 | 101.1 Ų | 101.1 | 62% | 0.617 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.5 | -43.6 | 174.2 | -74.1 | -174.9 | 167.4 | 0 | 0 | 111.7 | I823 E824 I830 A831 | I823-E827 WeakPolarHBondContact O-CG 3.34Å; I823-E827 PolarHBondContact O-N 2.88Å; E824-E827 PolarHBondContact O-N 2.87Å; E827-I830 PolarHBondContact O-N 2.99Å; E827-A831 WeakPolarHBondContact O-CB 3.49Å; E827-A831 PolarHBondContact O-N 3.23Å |
| 828 | L | 78.7 | Confident | 73.6 | Confident | 125 Ų | 125 | 104.9 Ų | 104.9 | 65% | 0.654 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.8 | -41.6 | 171.9 | -86 | 165.8 | 0 | 0 | 0 | 112.5 | E824 A831 G832 | E824-L828 PolarHBondContact O-N 3.08Å; E824-L828 VanDerWaalsContact O-N 3.15Å; L828-A831 PolarHBondContact O-N 3.08Å; L828-G832 PolarHBondContact O-N 3.07Å |
| 829 | E | 83.5 | Confident | 74.9 | Confident | 116 Ų | 116 | 102.6 Ų | 102.6 | 54% | 0.542 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.3 | -45.4 | 175.8 | -174.7 | 176.7 | -160.2 | 0 | 0 | 111.2 | A825 Q826 A831 G832 L833 | A825-E829 VanDerWaalsContact O-CB 3.26Å; A825-E829 WeakPolarHBondContact O-CB 3.35Å; A825-E829 PolarHBondContact O-N 2.93Å; Q826-E829 PolarHBondContact O-N 3.2Å; E829-A831 VanDerWaalsContact C-N 3.33Å; E829-A831 PolarHBondContact O-N 2.79Å; E829-G832 PolarHBondContact O-N 2.87Å; E829-L833 HydrophobicContact CG-CD1 3.89Å; E829-L833 HydrophobicContact CG-CG 4.24Å; E829-L833 VanDerWaalsContact O-CB 3.31Å; E829-L833 WeakPolarHBondContact O-CB 3.23Å; E829-L833 VanDerWaalsContact O-CG 3.25Å; E829-L833 WeakPolarHBondContact O-CG 3.36Å; E829-L833 PolarHBondContact O-N 2.88Å |
| 830 | I | 78.9 | Confident | 76.9 | Confident | 89 Ų | 89 | 102.6 Ų | 102.6 | 46% | 0.456 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.6 | -39.5 | 176.2 | -72.1 | 163.8 | 0 | 0 | 0 | 111.1 | Q826 E827 K834 | Q826-I830 VanDerWaalsContact O-CB 3.29Å; Q826-I830 WeakPolarHBondContact O-CB 3.39Å; Q826-I830 WeakPolarHBondContact O-CD1 3.43Å; Q826-I830 WeakPolarHBondContact O-CG1 3.47Å; Q826-I830 PolarHBondContact O-N 3.1Å; E827-I830 PolarHBondContact O-N 2.99Å; I830-K834 HydrophobicContact CG2-CD 4.29Å; I830-K834 WeakPolarHBondContact O-CB 3.33Å; I830-K834 VanDerWaalsContact O-CG 3.32Å; I830-K834 WeakPolarHBondContact O-CG 3.37Å; I830-K834 PolarHBondContact O-N 3.05Å |
| 831 | A | 80.3 | Confident | 78.4 | Confident | 56 Ų | 56 | 100.4 Ų | 100.4 | 46% | 0.463 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.5 | -43.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E827 L828 E829 K835 | E827-A831 WeakPolarHBondContact O-CB 3.49Å; E827-A831 PolarHBondContact O-N 3.23Å; L828-A831 PolarHBondContact O-N 3.08Å; E829-A831 VanDerWaalsContact C-N 3.33Å; E829-A831 PolarHBondContact O-N 2.79Å; A831-K835 PolarHBondContact O-N 3.32Å; A831-K835 VanDerWaalsContact O-N 3.15Å |
| 832 | G | 84 | Confident | 79.7 | Confident | 42 Ų | 42 | 100.9 Ų | 100.9 | 43% | 0.433 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.9 | -46.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L828 E829 K835 S836 | L828-G832 PolarHBondContact O-N 3.07Å; E829-G832 PolarHBondContact O-N 2.87Å; G832-K835 PolarHBondContact O-N 3.28Å; G832-S836 WeakPolarHBondContact O-CB 3.42Å; G832-S836 PolarHBondContact O-N 3.46Å |
| 833 | L | 80.2 | Confident | 80.8 | Confident | 101 Ų | 101 | 96.9 Ų | 96.9 | 53% | 0.529 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64 | -39.8 | 177.4 | -73.8 | 174 | 0 | 0 | 0 | 112.1 | E829 S836 L837 | E829-L833 HydrophobicContact CG-CD1 3.89Å; E829-L833 HydrophobicContact CG-CG 4.24Å; E829-L833 VanDerWaalsContact O-CB 3.31Å; E829-L833 WeakPolarHBondContact O-CB 3.23Å; E829-L833 VanDerWaalsContact O-CG 3.25Å; E829-L833 WeakPolarHBondContact O-CG 3.36Å; E829-L833 PolarHBondContact O-N 2.88Å; L833-S836 PolarHBondContact O-N 3.43Å; L833-L837 VanDerWaalsContact O-CB 3.23Å; L833-L837 WeakPolarHBondContact O-CB 3.31Å; L833-L837 PolarHBondContact O-N 3.05Å |
| 834 | K | 81.9 | Confident | 81.9 | Confident | 146 Ų | 146 | 96.3 Ų | 96.3 | 64% | 0.635 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.6 | -47.3 | 173.4 | -81.1 | 177.6 | 178 | 178.9 | 0 | 111.6 | I830 S836 L837 E838 | I830-K834 HydrophobicContact CG2-CD 4.29Å; I830-K834 WeakPolarHBondContact O-CB 3.33Å; I830-K834 VanDerWaalsContact O-CG 3.32Å; I830-K834 WeakPolarHBondContact O-CG 3.37Å; I830-K834 PolarHBondContact O-N 3.05Å; K834-S836 VanDerWaalsContact C-N 3.33Å; K834-S836 PolarHBondContact O-N 3.38Å; K834-L837 PolarHBondContact O-N 2.96Å; K834-E838 PolarHBondContact O-N 2.9Å |
| 835 | K | 83.5 | Confident | 82.8 | Confident | 141 Ų | 141 | 95 Ų | 95 | 61% | 0.613 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.4 | -37.8 | 176.8 | -171.7 | 174.5 | -177.5 | 176.6 | 0 | 112.1 | A831 G832 E838 N839 | A831-K835 PolarHBondContact O-N 3.32Å; A831-K835 VanDerWaalsContact O-N 3.15Å; G832-K835 PolarHBondContact O-N 3.28Å; K835-E838 PolarHBondContact O-N 3.1Å; K835-N839 PolarHBondContact O-N 3.47Å; K835-N839 PolarHBondContact O-ND2 2.98Å |
| 836 | S | 84.9 | Confident | 83.2 | Confident | 60 Ų | 60 | 97.7 Ų | 97.7 | 42% | 0.42 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.7 | -38.6 | 175 | -161.9 | 0 | 0 | 0 | 0 | 112.1 | G832 L833 K834 N839 E840 | G832-S836 WeakPolarHBondContact O-CB 3.42Å; G832-S836 PolarHBondContact O-N 3.46Å; L833-S836 PolarHBondContact O-N 3.43Å; K834-S836 VanDerWaalsContact C-N 3.33Å; K834-S836 PolarHBondContact O-N 3.38Å; S836-N839 PolarHBondContact O-N 2.97Å; S836-E840 WeakPolarHBondContact O-CB 3.41Å; S836-E840 PolarHBondContact O-N 3.29Å |
| 837 | L | 87.2 | Confident | 83.9 | Confident | 125 Ų | 125 | 98.2 Ų | 98.2 | 65% | 0.654 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.7 | -38.4 | 176.1 | -179.9 | 65.5 | 0 | 0 | 0 | 111.5 | L833 K834 E840 N841 | L833-L837 VanDerWaalsContact O-CB 3.23Å; L833-L837 WeakPolarHBondContact O-CB 3.31Å; L833-L837 PolarHBondContact O-N 3.05Å; K834-L837 PolarHBondContact O-N 2.96Å; L837-E840 PolarHBondContact O-N 3.23Å; L837-N841 WeakPolarHBondContact O-CB 3.25Å; L837-N841 PolarHBondContact O-N 2.98Å |
| 838 | E | 84.2 | Confident | 84.4 | Confident | 126 Ų | 126 | 94.8 Ų | 94.8 | 59% | 0.589 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.2 | -48.2 | 174.2 | -171.5 | 166.3 | -143 | 0 | 0 | 111.2 | K834 K835 E840 N841 D842 | K834-E838 PolarHBondContact O-N 2.9Å; K835-E838 PolarHBondContact O-N 3.1Å; E838-E840 PolarHBondContact O-N 3.49Å; E838-N841 WeakPolarHBondContact O-CB 3.32Å; E838-N841 PolarHBondContact O-N 3.44Å; E838-D842 PolarHBondContact O-N 2.91Å |
| 839 | N | 84.6 | Confident | 85 | Confident | 95 Ų | 95 | 95.1 Ų | 95.1 | 51% | 0.508 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.8 | -44.1 | 173.7 | -69.4 | -19.4 | 0 | 0 | 0 | 112.5 | K835 S836 D842 S843 | K835-N839 PolarHBondContact O-N 3.47Å; K835-N839 PolarHBondContact O-ND2 2.98Å; S836-N839 PolarHBondContact O-N 2.97Å; N839-D842 PolarHBondContact O-N 2.98Å; N839-S843 VanDerWaalsContact O-CB 3.26Å; N839-S843 WeakPolarHBondContact O-CB 3.29Å; N839-S843 PolarHBondContact O-N 3.35Å |
| 840 | E | 85.8 | Confident | 85.4 | Confident | 101 Ų | 101 | 92.8 Ų | 92.8 | 47% | 0.472 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70.7 | -33.3 | 177.4 | -76.2 | -55.9 | 145.7 | 0 | 0 | 112.5 | S836 L837 E838 S843 V844 K847 | S836-E840 WeakPolarHBondContact O-CB 3.41Å; S836-E840 PolarHBondContact O-N 3.29Å; L837-E840 PolarHBondContact O-N 3.23Å; E838-E840 PolarHBondContact O-N 3.49Å; E840-S843 WeakPolarHBondContact O-CB 3.31Å; E840-S843 PolarHBondContact O-N 3.35Å; E840-V844 WeakPolarHBondContact O-CB 3.48Å; E840-V844 VanDerWaalsContact O-CG2 3.29Å; E840-V844 WeakPolarHBondContact O-CG2 3.49Å; E840-V844 PolarHBondContact O-N 3.49Å; E840-K847 IonicContact OE2-NZ 2.66Å |
| 841 | N | 85.1 | Confident | 85.7 | Confident | 84 Ų | 84 | 93.1 Ų | 93.1 | 45% | 0.449 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.3 | -41.7 | 173.6 | -172.4 | 31.3 | 0 | 0 | 0 | 111.2 | L837 E838 V844 K845 | L837-N841 WeakPolarHBondContact O-CB 3.25Å; L837-N841 PolarHBondContact O-N 2.98Å; E838-N841 WeakPolarHBondContact O-CB 3.32Å; E838-N841 PolarHBondContact O-N 3.44Å; N841-V844 PolarHBondContact O-N 3.4Å; N841-K845 WeakPolarHBondContact O-CG 3.31Å; N841-K845 PolarHBondContact O-N 2.97Å |
| 842 | D | 86.8 | Confident | 86 | Confident | 70 Ų | 70 | 94.9 Ų | 94.9 | 37% | 0.374 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -70 | -37.2 | 174.1 | -74 | -14.1 | 0 | 0 | 0 | 112.3 | E838 N839 V844 K845 I846 | E838-D842 PolarHBondContact O-N 2.91Å; N839-D842 PolarHBondContact O-N 2.98Å; D842-V844 VanDerWaalsContact C-N 3.3Å; D842-V844 PolarHBondContact O-N 3.38Å; D842-K845 PolarHBondContact O-N 3.21Å; D842-K845 WeakPolarHBondContact OD1-CE 3.35Å; D842-K845 IonicContact OD1-NZ 2.71Å; D842-K845 PolarHBondContact OD1-NZ 3.45Å; D842-I846 VanDerWaalsContact O-CG1 3.29Å; D842-I846 WeakPolarHBondContact O-CG1 3.48Å; D842-I846 PolarHBondContact O-N 2.85Å |
| 843 | S | 87.7 | Confident | 86.1 | Confident | 35 Ų | 35 | 96.7 Ų | 96.7 | 25% | 0.245 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -56 | -42.7 | 168.7 | -173.6 | 0 | 0 | 0 | 0 | 111.6 | N839 E840 K847 | N839-S843 VanDerWaalsContact O-CB 3.26Å; N839-S843 WeakPolarHBondContact O-CB 3.29Å; N839-S843 PolarHBondContact O-N 3.35Å; E840-S843 WeakPolarHBondContact O-CB 3.31Å; E840-S843 PolarHBondContact O-N 3.35Å; S843-K847 WeakPolarHBondContact O-CB 3.46Å; S843-K847 WeakPolarHBondContact O-CD 3.41Å; S843-K847 WeakPolarHBondContact O-CG 3.46Å; S843-K847 PolarHBondContact O-N 2.98Å; S843-K847 VanDerWaalsContact OG-CE 3.28Å; S843-K847 WeakPolarHBondContact OG-CE 3.24Å; S843-K847 PolarHBondContact OG-NZ 3.27Å |
| 844 | V | 85.1 | Confident | 86.5 | Confident | 84 Ų | 84 | 97.1 Ų | 97.1 | 51% | 0.509 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.7 | -43.6 | 174.9 | 168.6 | 0 | 0 | 0 | 0 | 111.8 | E840 N841 D842 I846 K847 S848 | E840-V844 WeakPolarHBondContact O-CB 3.48Å; E840-V844 VanDerWaalsContact O-CG2 3.29Å; E840-V844 WeakPolarHBondContact O-CG2 3.49Å; E840-V844 PolarHBondContact O-N 3.49Å; N841-V844 PolarHBondContact O-N 3.4Å; D842-V844 VanDerWaalsContact C-N 3.3Å; D842-V844 PolarHBondContact O-N 3.38Å; V844-I846 VanDerWaalsContact C-N 3.35Å; V844-I846 PolarHBondContact O-N 3.09Å; V844-K847 PolarHBondContact O-N 2.93Å; V844-S848 WeakPolarHBondContact O-CB 3.45Å; V844-S848 PolarHBondContact O-N 2.9Å |
| 845 | K | 89.4 | Confident | 86.7 | Confident | 112 Ų | 112 | 93.6 Ų | 93.6 | 49% | 0.487 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59 | -44.7 | 174.8 | -68.7 | 169 | -159 | 160.3 | 0 | 111.8 | N841 D842 S848 K849 | N841-K845 WeakPolarHBondContact O-CG 3.31Å; N841-K845 PolarHBondContact O-N 2.97Å; D842-K845 PolarHBondContact O-N 3.21Å; D842-K845 WeakPolarHBondContact OD1-CE 3.35Å; D842-K845 IonicContact OD1-NZ 2.71Å; D842-K845 PolarHBondContact OD1-NZ 3.45Å; K845-S848 PolarHBondContact O-N 3.04Å; K845-K849 PolarHBondContact O-N 3.41Å |
| 846 | I | 86.2 | Confident | 86.9 | Confident | 113 Ų | 113 | 92.7 Ų | 92.7 | 58% | 0.579 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.5 | -46.7 | 177.3 | -67.3 | 164.8 | 0 | 0 | 0 | 110.3 | D842 V844 S848 K849 V850 | D842-I846 VanDerWaalsContact O-CG1 3.29Å; D842-I846 WeakPolarHBondContact O-CG1 3.48Å; D842-I846 PolarHBondContact O-N 2.85Å; V844-I846 VanDerWaalsContact C-N 3.35Å; V844-I846 PolarHBondContact O-N 3.09Å; I846-S848 PolarHBondContact O-N 2.81Å; I846-K849 PolarHBondContact O-N 2.92Å; I846-V850 WeakPolarHBondContact O-CG2 3.46Å; I846-V850 PolarHBondContact O-N 3.47Å |
| 847 | K | 88.9 | Confident | 87 | Confident | 109 Ų | 109 | 93.6 Ų | 93.6 | 47% | 0.474 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.6 | -42.3 | 176.2 | -71.8 | 162 | -168.4 | 160.7 | 0 | 112.1 | E840 S843 V844 V850 I851 | E840-K847 IonicContact OE2-NZ 2.66Å; S843-K847 WeakPolarHBondContact O-CB 3.46Å; S843-K847 WeakPolarHBondContact O-CD 3.41Å; S843-K847 WeakPolarHBondContact O-CG 3.46Å; S843-K847 PolarHBondContact O-N 2.98Å; S843-K847 VanDerWaalsContact OG-CE 3.28Å; S843-K847 WeakPolarHBondContact OG-CE 3.24Å; S843-K847 PolarHBondContact OG-NZ 3.27Å; V844-K847 PolarHBondContact O-N 2.93Å; K847-V850 PolarHBondContact O-N 2.98Å; K847-I851 VanDerWaalsContact O-CG1 3.3Å; K847-I851 WeakPolarHBondContact O-CG1 3.35Å; K847-I851 PolarHBondContact O-N 3.5Å |
| 848 | S | 85.6 | Confident | 87.1 | Confident | 61 Ų | 61 | 92.8 Ų | 92.8 | 43% | 0.427 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.4 | -51.1 | 175.9 | -166.1 | 0 | 0 | 0 | 0 | 110.5 | V844 K845 I846 V850 I851 D852 | V844-S848 WeakPolarHBondContact O-CB 3.45Å; V844-S848 PolarHBondContact O-N 2.9Å; K845-S848 PolarHBondContact O-N 3.04Å; I846-S848 PolarHBondContact O-N 2.81Å; S848-V850 VanDerWaalsContact C-N 3.31Å; S848-V850 PolarHBondContact O-N 2.98Å; S848-I851 CarbonylContact O-C 3.3Å; S848-I851 WeakPolarHBondContact O-CA 3.48Å; S848-I851 WeakPolarHBondContact O-CB 3.43Å; S848-I851 PolarHBondContact O-N 2.84Å; S848-D852 VanDerWaalsContact O-CG 3.27Å; S848-D852 PolarHBondContact O-N 2.97Å; S848-D852 VanDerWaalsContact O-OD2 3.11Å |
| 849 | K | 91 | Very high | 87.2 | Confident | 132 Ų | 132 | 92.1 Ų | 92.1 | 57% | 0.574 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -58.3 | -41.9 | 177.6 | -173.1 | -179.4 | 176.3 | -175.6 | 0 | 112.4 | K845 I846 I851 D852 D853 | K845-K849 PolarHBondContact O-N 3.41Å; I846-K849 PolarHBondContact O-N 2.92Å; K849-I851 VanDerWaalsContact C-N 3.31Å; K849-I851 PolarHBondContact O-N 2.89Å; K849-D852 PolarHBondContact O-N 3.32Å; K849-D853 WeakPolarHBondContact O-CB 3.32Å; K849-D853 PolarHBondContact O-N 3.04Å |
| 850 | V | 91.4 | Very high | 87.4 | Confident | 67 Ų | 67 | 91.9 Ų | 91.9 | 41% | 0.406 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.6 | -36 | 175.6 | 170.2 | 0 | 0 | 0 | 0 | 111.8 | I846 K847 S848 Q854 | I846-V850 WeakPolarHBondContact O-CG2 3.46Å; I846-V850 PolarHBondContact O-N 3.47Å; K847-V850 PolarHBondContact O-N 2.98Å; S848-V850 VanDerWaalsContact C-N 3.31Å; S848-V850 PolarHBondContact O-N 2.98Å; V850-Q854 HydrophobicContact CG1-CG 4.42Å; V850-Q854 VanDerWaalsContact O-CB 3.23Å; V850-Q854 WeakPolarHBondContact O-CB 3.46Å; V850-Q854 WeakPolarHBondContact O-CG 3.11Å; V850-Q854 PolarHBondContact O-N 3.21Å |
| 851 | I | 85.3 | Confident | 87.5 | Confident | 96 Ų | 96 | 92 Ų | 92 | 49% | 0.492 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.7 | -40.5 | 173.8 | -69.8 | 163.4 | 0 | 0 | 0 | 110.8 | K847 S848 K849 Q854 T855 | K847-I851 VanDerWaalsContact O-CG1 3.3Å; K847-I851 WeakPolarHBondContact O-CG1 3.35Å; K847-I851 PolarHBondContact O-N 3.5Å; S848-I851 CarbonylContact O-C 3.3Å; S848-I851 WeakPolarHBondContact O-CA 3.48Å; S848-I851 WeakPolarHBondContact O-CB 3.43Å; S848-I851 PolarHBondContact O-N 2.84Å; K849-I851 VanDerWaalsContact C-N 3.31Å; K849-I851 PolarHBondContact O-N 2.89Å; I851-Q854 PolarHBondContact O-N 2.64Å; I851-T855 VanDerWaalsContact O-CB 3.27Å; I851-T855 WeakPolarHBondContact O-CB 3.28Å; I851-T855 PolarHBondContact O-N 3.48Å; I851-T855 PolarHBondContact O-OG1 3.46Å |
| 852 | D | 86.4 | Confident | 87.8 | Confident | 93 Ų | 93 | 94.8 Ų | 94.8 | 50% | 0.497 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.7 | -51.1 | 177 | -61.1 | -39.4 | 0 | 0 | 0 | 110.6 | S848 K849 Q854 T855 E856 | S848-D852 VanDerWaalsContact O-CG 3.27Å; S848-D852 PolarHBondContact O-N 2.97Å; S848-D852 VanDerWaalsContact O-OD2 3.11Å; K849-D852 PolarHBondContact O-N 3.32Å; D852-Q854 VanDerWaalsContact C-N 3.32Å; D852-Q854 PolarHBondContact O-N 2.95Å; D852-T855 WeakPolarHBondContact O-CB 3.4Å; D852-T855 PolarHBondContact O-N 3.1Å; D852-E856 PolarHBondContact O-N 3.29Å |
| 853 | D | 87.7 | Confident | 87.9 | Confident | 79 Ų | 79 | 97.3 Ų | 97.3 | 42% | 0.422 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.3 | -40.7 | 176.1 | -65.9 | -20.7 | 0 | 0 | 0 | 111.5 | K849 T857 | K849-D853 WeakPolarHBondContact O-CB 3.32Å; K849-D853 PolarHBondContact O-N 3.04Å; D853-T857 WeakPolarHBondContact O-CB 3.49Å; D853-T857 PolarHBondContact O-N 3.38Å; D853-T857 PolarHBondContact O-OG1 3.01Å |
| 854 | Q | 88.1 | Confident | 87.8 | Confident | 110 Ų | 110 | 98.4 Ų | 98.4 | 51% | 0.514 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.7 | -38.7 | 174.1 | -78.1 | 175.7 | 5.1 | 0 | 0 | 112.4 | V850 I851 D852 T857 I858 | V850-Q854 HydrophobicContact CG1-CG 4.42Å; V850-Q854 VanDerWaalsContact O-CB 3.23Å; V850-Q854 WeakPolarHBondContact O-CB 3.46Å; V850-Q854 WeakPolarHBondContact O-CG 3.11Å; V850-Q854 PolarHBondContact O-N 3.21Å; I851-Q854 PolarHBondContact O-N 2.64Å; D852-Q854 VanDerWaalsContact C-N 3.32Å; D852-Q854 PolarHBondContact O-N 2.95Å; Q854-T857 WeakPolarHBondContact O-CB 3.47Å; Q854-T857 PolarHBondContact O-N 3.26Å; Q854-I858 WeakPolarHBondContact O-CB 3.36Å; Q854-I858 VanDerWaalsContact O-CG1 3.25Å; Q854-I858 WeakPolarHBondContact O-CG1 3.48Å; Q854-I858 PolarHBondContact O-N 3.34Å |
| 855 | T | 86.6 | Confident | 88 | Confident | 72 Ų | 72 | 98.9 Ų | 98.9 | 44% | 0.442 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.6 | -42 | -179.7 | -61.2 | 0 | 0 | 0 | 0 | 110.9 | I851 D852 I858 L859 | I851-T855 VanDerWaalsContact O-CB 3.27Å; I851-T855 WeakPolarHBondContact O-CB 3.28Å; I851-T855 PolarHBondContact O-N 3.48Å; I851-T855 PolarHBondContact O-OG1 3.46Å; D852-T855 WeakPolarHBondContact O-CB 3.4Å; D852-T855 PolarHBondContact O-N 3.1Å; T855-I858 PolarHBondContact O-N 2.89Å; T855-L859 HydrophobicContact CG2-CD1 4.48Å; T855-L859 WeakPolarHBondContact O-CB 3.36Å; T855-L859 PolarHBondContact O-N 3.27Å |
| 856 | E | 87.7 | Confident | 88 | Confident | 122 Ų | 122 | 99.4 Ų | 99.4 | 57% | 0.57 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.2 | -43.4 | 172 | -176 | 172.9 | -172.5 | 0 | 0 | 111.4 | D852 I858 L859 N860 | D852-E856 PolarHBondContact O-N 3.29Å; E856-I858 PolarHBondContact O-N 2.87Å; E856-L859 PolarHBondContact O-N 3.42Å; E856-N860 WeakPolarHBondContact O-CB 3.36Å; E856-N860 PolarHBondContact O-N 3.4Å; E856-N860 PolarHBondContact O-ND2 3.01Å |
| 857 | T | 87.2 | Confident | 88.1 | Confident | 80 Ų | 80 | 98.8 Ų | 98.8 | 49% | 0.491 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -58.5 | -45.2 | 175.2 | -59.2 | 0 | 0 | 0 | 0 | 111.6 | D853 Q854 N860 L861 | D853-T857 WeakPolarHBondContact O-CB 3.49Å; D853-T857 PolarHBondContact O-N 3.38Å; D853-T857 PolarHBondContact O-OG1 3.01Å; Q854-T857 WeakPolarHBondContact O-CB 3.47Å; Q854-T857 PolarHBondContact O-N 3.26Å; T857-N860 PolarHBondContact O-N 2.88Å; T857-L861 HydrophobicContact CG2-CD1 4.01Å; T857-L861 HydrophobicContact CG2-CG 4.47Å; T857-L861 WeakPolarHBondContact O-CB 3.34Å; T857-L861 VanDerWaalsContact O-CG 3.27Å; T857-L861 WeakPolarHBondContact O-CG 3.2Å; T857-L861 PolarHBondContact O-N 2.82Å |
| 858 | I | 88.4 | Confident | 88.1 | Confident | 107 Ų | 107 | 97.8 Ų | 97.8 | 55% | 0.549 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.1 | -40.6 | 177.5 | -70.2 | 163.6 | 0 | 0 | 0 | 111.3 | Q854 T855 E856 L861 K862 | Q854-I858 WeakPolarHBondContact O-CB 3.36Å; Q854-I858 VanDerWaalsContact O-CG1 3.25Å; Q854-I858 WeakPolarHBondContact O-CG1 3.48Å; Q854-I858 PolarHBondContact O-N 3.34Å; T855-I858 PolarHBondContact O-N 2.89Å; E856-I858 PolarHBondContact O-N 2.87Å; I858-L861 PolarHBondContact O-N 3.46Å; I858-K862 VanDerWaalsContact O-CB 3.26Å; I858-K862 WeakPolarHBondContact O-CB 3.28Å; I858-K862 PolarHBondContact O-N 2.9Å |
| 859 | L | 87.3 | Confident | 88.2 | Confident | 113 Ų | 113 | 100.2 Ų | 100.2 | 59% | 0.592 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.2 | -47.1 | 175.3 | -89.2 | 164.4 | 0 | 0 | 0 | 111.8 | T855 E856 K862 K863 | T855-L859 HydrophobicContact CG2-CD1 4.48Å; T855-L859 WeakPolarHBondContact O-CB 3.36Å; T855-L859 PolarHBondContact O-N 3.27Å; E856-L859 PolarHBondContact O-N 3.42Å; L859-K862 PolarHBondContact O-N 3.28Å; L859-K863 WeakPolarHBondContact O-CB 3.25Å; L859-K863 PolarHBondContact O-N 3.42Å |
| 860 | N | 86.8 | Confident | 87.9 | Confident | 90 Ų | 90 | 98 Ų | 98 | 48% | 0.481 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.7 | -42.1 | 178.2 | -74.6 | -34.3 | 0 | 0 | 0 | 112 | E856 T857 K863 C864 | E856-N860 WeakPolarHBondContact O-CB 3.36Å; E856-N860 PolarHBondContact O-N 3.4Å; E856-N860 PolarHBondContact O-ND2 3.01Å; T857-N860 PolarHBondContact O-N 2.88Å; N860-K863 PolarHBondContact O-N 2.91Å; N860-C864 WeakPolarHBondContact O-CB 3.37Å; N860-C864 PolarHBondContact O-N 2.58Å |
| 861 | L | 89.4 | Confident | 87.8 | Confident | 102 Ų | 102 | 98.3 Ų | 98.3 | 53% | 0.534 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 173.2 | -73.1 | 171.5 | 0 | 0 | 0 | 112 | T857 I858 K863 C864 I865 | T857-L861 HydrophobicContact CG2-CD1 4.01Å; T857-L861 HydrophobicContact CG2-CG 4.47Å; T857-L861 WeakPolarHBondContact O-CB 3.34Å; T857-L861 VanDerWaalsContact O-CG 3.27Å; T857-L861 WeakPolarHBondContact O-CG 3.2Å; T857-L861 PolarHBondContact O-N 2.82Å; I858-L861 PolarHBondContact O-N 3.46Å; L861-K863 PolarHBondContact O-N 2.96Å; L861-C864 PolarHBondContact O-N 3.47Å; L861-I865 WeakPolarHBondContact O-CB 3.49Å; L861-I865 VanDerWaalsContact O-CG1 3.26Å; L861-I865 WeakPolarHBondContact O-CG1 3.29Å; L861-I865 PolarHBondContact O-N 3.38Å |
| 862 | K | 90.5 | Very high | 87.7 | Confident | 144 Ų | 144 | 98.2 Ų | 98.2 | 63% | 0.626 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63 | -41.4 | 178 | -173.1 | 179.2 | -179.5 | -176.8 | 0 | 111.7 | I858 L859 I865 Q866 | I858-K862 VanDerWaalsContact O-CB 3.26Å; I858-K862 WeakPolarHBondContact O-CB 3.28Å; I858-K862 PolarHBondContact O-N 2.9Å; L859-K862 PolarHBondContact O-N 3.28Å; K862-I865 PolarHBondContact O-N 2.89Å; K862-Q866 WeakPolarHBondContact O-CB 3.36Å; K862-Q866 PolarHBondContact O-N 3.5Å |
| 863 | K | 89.8 | Confident | 87.8 | Confident | 123 Ų | 123 | 100 Ų | 100 | 54% | 0.535 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.9 | -50.4 | 173.6 | -180 | 180 | 169.8 | -175.5 | 0 | 111.3 | L859 N860 L861 I865 Q866 E867 | L859-K863 WeakPolarHBondContact O-CB 3.25Å; L859-K863 PolarHBondContact O-N 3.42Å; N860-K863 PolarHBondContact O-N 2.91Å; L861-K863 PolarHBondContact O-N 2.96Å; K863-I865 VanDerWaalsContact C-N 3.34Å; K863-I865 PolarHBondContact O-N 3.06Å; K863-Q866 WeakPolarHBondContact O-CB 3.47Å; K863-Q866 PolarHBondContact O-N 2.68Å; K863-Q866 VanDerWaalsContact O-N 3.1Å; K863-E867 WeakPolarHBondContact CE-OE1 3.3Å; K863-E867 IonicContact NZ-OE1 3.88Å; K863-E867 WeakPolarHBondContact O-CG 3.44Å; K863-E867 PolarHBondContact O-N 3.46Å |
| 864 | C | 85.9 | Confident | 87.8 | Confident | 57 Ų | 57 | 102.5 Ų | 102.5 | 39% | 0.385 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.4 | -40.9 | 178 | -177 | 0 | 0 | 0 | 0 | 112.4 | N860 L861 Q866 E867 N868 | N860-C864 WeakPolarHBondContact O-CB 3.37Å; N860-C864 PolarHBondContact O-N 2.58Å; L861-C864 PolarHBondContact O-N 3.47Å; C864-Q866 PolarHBondContact O-N 3.28Å; C864-E867 PolarHBondContact O-N 3.33Å; C864-N868 WeakPolarHBondContact O-CB 3.43Å; C864-N868 PolarHBondContact O-N 3.37Å; C864-N868 PolarHBondContact O-ND2 2.98Å; C864-N868 VanDerWaalsContact O-ND2 3.14Å |
| 865 | I | 87.5 | Confident | 87.7 | Confident | 94 Ų | 94 | 101 Ų | 101 | 48% | 0.482 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 174 | -70.5 | 164.9 | 0 | 0 | 0 | 111.1 | L861 K862 K863 N868 Q869 | L861-I865 WeakPolarHBondContact O-CB 3.49Å; L861-I865 VanDerWaalsContact O-CG1 3.26Å; L861-I865 WeakPolarHBondContact O-CG1 3.29Å; L861-I865 PolarHBondContact O-N 3.38Å; K862-I865 PolarHBondContact O-N 2.89Å; K863-I865 VanDerWaalsContact C-N 3.34Å; K863-I865 PolarHBondContact O-N 3.06Å; I865-N868 PolarHBondContact O-N 3.05Å; I865-Q869 HydrophobicContact CG2-CG 4.49Å; I865-Q869 WeakPolarHBondContact O-CB 3.31Å; I865-Q869 VanDerWaalsContact O-CG 3.32Å; I865-Q869 WeakPolarHBondContact O-CG 3.32Å; I865-Q869 PolarHBondContact O-N 2.99Å |
| 866 | Q | 90.6 | Very high | 87.8 | Confident | 123 Ų | 123 | 102.6 Ų | 102.6 | 58% | 0.575 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.8 | -42.4 | 178.6 | -175.2 | 170.8 | -14.9 | 0 | 0 | 112 | K862 K863 C864 Q869 T870 | K862-Q866 WeakPolarHBondContact O-CB 3.36Å; K862-Q866 PolarHBondContact O-N 3.5Å; K863-Q866 WeakPolarHBondContact O-CB 3.47Å; K863-Q866 PolarHBondContact O-N 2.68Å; K863-Q866 VanDerWaalsContact O-N 3.1Å; C864-Q866 PolarHBondContact O-N 3.28Å; Q866-Q869 PolarHBondContact O-N 2.96Å; Q866-T870 PolarHBondContact O-N 3.17Å; Q866-T870 PolarHBondContact O-OG1 3.07Å |
| 867 | E | 88.9 | Confident | 87.7 | Confident | 100 Ų | 100 | 102.1 Ų | 102.1 | 47% | 0.467 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.2 | -47.7 | 173.8 | -71.9 | 167.3 | 172.3 | 0 | 0 | 110.9 | K863 C864 Q869 T870 E871 | K863-E867 WeakPolarHBondContact CE-OE1 3.3Å; K863-E867 IonicContact NZ-OE1 3.88Å; K863-E867 WeakPolarHBondContact O-CG 3.44Å; K863-E867 PolarHBondContact O-N 3.46Å; C864-E867 PolarHBondContact O-N 3.33Å; E867-Q869 VanDerWaalsContact C-N 3.34Å; E867-Q869 PolarHBondContact O-N 3.38Å; E867-T870 WeakPolarHBondContact CA-OG1 3.49Å; E867-T870 PolarHBondContact O-N 3.37Å; E867-T870 VanDerWaalsContact O-N 3.14Å; E867-T870 PolarHBondContact O-OG1 2.61Å; E867-E871 PolarHBondContact O-N 2.78Å |
| 868 | N | 88.6 | Confident | 87.7 | Confident | 89 Ų | 89 | 102.9 Ų | 102.9 | 48% | 0.476 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.3 | -38.9 | 175 | -71.7 | -28.8 | 0 | 0 | 0 | 112.6 | C864 I865 E871 I872 | C864-N868 WeakPolarHBondContact O-CB 3.43Å; C864-N868 PolarHBondContact O-N 3.37Å; C864-N868 PolarHBondContact O-ND2 2.98Å; C864-N868 VanDerWaalsContact O-ND2 3.14Å; I865-N868 PolarHBondContact O-N 3.05Å; N868-E871 PolarHBondContact O-N 2.97Å; N868-I872 WeakPolarHBondContact O-CB 3.24Å; N868-I872 WeakPolarHBondContact O-CD1 3.45Å; N868-I872 VanDerWaalsContact O-CG1 3.24Å; N868-I872 WeakPolarHBondContact O-CG1 3.26Å; N868-I872 PolarHBondContact O-N 3.48Å |
| 869 | Q | 87.6 | Confident | 87.6 | Confident | 111 Ų | 111 | 103 Ų | 103 | 52% | 0.519 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.7 | -36.5 | 174.4 | -78 | -179.7 | 1.5 | 0 | 0 | 112.5 | I865 Q866 E867 K873 | I865-Q869 HydrophobicContact CG2-CG 4.49Å; I865-Q869 WeakPolarHBondContact O-CB 3.31Å; I865-Q869 VanDerWaalsContact O-CG 3.32Å; I865-Q869 WeakPolarHBondContact O-CG 3.32Å; I865-Q869 PolarHBondContact O-N 2.99Å; Q866-Q869 PolarHBondContact O-N 2.96Å; E867-Q869 VanDerWaalsContact C-N 3.34Å; E867-Q869 PolarHBondContact O-N 3.38Å; Q869-K873 WeakPolarHBondContact O-CG 3.29Å; Q869-K873 PolarHBondContact O-N 2.92Å; Q869-K873 VanDerWaalsContact O-N 3.17Å |
| 870 | T | 85.4 | Confident | 87.7 | Confident | 87 Ų | 87 | 101.6 Ų | 101.6 | 53% | 0.534 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.3 | -38.6 | 173.3 | 49.3 | 0 | 0 | 0 | 0 | 112.1 | Q866 E867 K873 R874 | Q866-T870 PolarHBondContact O-N 3.17Å; Q866-T870 PolarHBondContact O-OG1 3.07Å; E867-T870 WeakPolarHBondContact CA-OG1 3.49Å; E867-T870 PolarHBondContact O-N 3.37Å; E867-T870 VanDerWaalsContact O-N 3.14Å; E867-T870 PolarHBondContact O-OG1 2.61Å; T870-K873 PolarHBondContact O-N 3.41Å; T870-R874 PolarHBondContact O-N 3.06Å |
| 871 | E | 87.4 | Confident | 87.7 | Confident | 73 Ų | 73 | 102.3 Ų | 102.3 | 34% | 0.341 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.2 | -44.9 | 177.5 | -168.4 | 66.4 | -176.9 | 0 | 0 | 111.9 | E867 N868 K873 R874 L875 | E867-E871 PolarHBondContact O-N 2.78Å; N868-E871 PolarHBondContact O-N 2.97Å; E871-K873 VanDerWaalsContact C-N 3.31Å; E871-K873 PolarHBondContact O-N 3.24Å; E871-R874 WeakPolarHBondContact O-CB 3.44Å; E871-R874 PolarHBondContact O-N 3.32Å; E871-R874 VanDerWaalsContact O-N 3.11Å; E871-R874 IonicContact OE1-CZ 2.69Å; E871-R874 IonicContact OE1-NH1 3.88Å; E871-R874 PolarHBondContact OE1-NH1 3.42Å; E871-R874 IonicContact OE1-NH2 3.35Å; E871-R874 PolarHBondContact OE1-NH2 2.8Å; E871-R874 IonicContact OE2-CZ 3.57Å; E871-R874 IonicContact OE2-NH1 3.67Å; E871-R874 PolarHBondContact OE2-NH1 3.11Å; E871-R874 IonicContact OE2-NH2 3.59Å; E871-L875 HydrophobicContact CG-CD1 4.2Å; E871-L875 WeakPolarHBondContact O-CG 3.5Å; E871-L875 PolarHBondContact O-N 2.93Å |
| 872 | I | 84.9 | Confident | 87.7 | Confident | 93 Ų | 93 | 99.7 Ų | 99.7 | 48% | 0.477 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -57.7 | -44 | 174.7 | -71.2 | 164.7 | 0 | 0 | 0 | 110.7 | N868 L875 Q876 | N868-I872 WeakPolarHBondContact O-CB 3.24Å; N868-I872 WeakPolarHBondContact O-CD1 3.45Å; N868-I872 VanDerWaalsContact O-CG1 3.24Å; N868-I872 WeakPolarHBondContact O-CG1 3.26Å; N868-I872 PolarHBondContact O-N 3.48Å; I872-L875 PolarHBondContact O-N 3.4Å; I872-Q876 HydrophobicContact CG2-CG 4.37Å; I872-Q876 WeakPolarHBondContact O-CB 3.46Å; I872-Q876 VanDerWaalsContact O-CG 3.25Å; I872-Q876 WeakPolarHBondContact O-CG 3.24Å; I872-Q876 PolarHBondContact O-N 3.36Å |
| 873 | K | 87 | Confident | 87.5 | Confident | 132 Ų | 132 | 99.3 Ų | 99.3 | 57% | 0.574 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.1 | -38.9 | 176 | -75 | 176.4 | -179.6 | -179.9 | 0 | 112.4 | Q869 T870 E871 Q876 N877 | Q869-K873 WeakPolarHBondContact O-CG 3.29Å; Q869-K873 PolarHBondContact O-N 2.92Å; Q869-K873 VanDerWaalsContact O-N 3.17Å; T870-K873 PolarHBondContact O-N 3.41Å; E871-K873 VanDerWaalsContact C-N 3.31Å; E871-K873 PolarHBondContact O-N 3.24Å; K873-Q876 PolarHBondContact O-N 3Å; K873-N877 PolarHBondContact O-N 2.86Å |
| 874 | R | 89.1 | Confident | 87.5 | Confident | 130 Ų | 130 | 97.9 Ų | 97.9 | 49% | 0.491 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.8 | -49.4 | 175.3 | -159.8 | -171.2 | 81.4 | -133.9 | -10.3 | 110.8 | T870 E871 Q876 N877 E878 | T870-R874 PolarHBondContact O-N 3.06Å; E871-R874 WeakPolarHBondContact O-CB 3.44Å; E871-R874 PolarHBondContact O-N 3.32Å; E871-R874 VanDerWaalsContact O-N 3.11Å; E871-R874 IonicContact OE1-CZ 2.69Å; E871-R874 IonicContact OE1-NH1 3.88Å; E871-R874 PolarHBondContact OE1-NH1 3.42Å; E871-R874 IonicContact OE1-NH2 3.35Å; E871-R874 PolarHBondContact OE1-NH2 2.8Å; E871-R874 IonicContact OE2-CZ 3.57Å; E871-R874 IonicContact OE2-NH1 3.67Å; E871-R874 PolarHBondContact OE2-NH1 3.11Å; E871-R874 IonicContact OE2-NH2 3.59Å; R874-Q876 VanDerWaalsContact C-N 3.34Å; R874-Q876 PolarHBondContact O-N 3.03Å; R874-N877 PolarHBondContact O-N 3.47Å; R874-E878 WeakPolarHBondContact O-CB 3.39Å; R874-E878 PolarHBondContact O-N 3.42Å |
| 875 | L | 85.2 | Confident | 87.7 | Confident | 78 Ų | 78 | 98.1 Ų | 98.1 | 41% | 0.408 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.5 | -32.8 | 178.7 | -67.4 | 171.7 | 0 | 0 | 0 | 113 | E871 I872 N879 | E871-L875 HydrophobicContact CG-CD1 4.2Å; E871-L875 WeakPolarHBondContact O-CG 3.5Å; E871-L875 PolarHBondContact O-N 2.93Å; I872-L875 PolarHBondContact O-N 3.4Å; L875-N879 WeakPolarHBondContact O-CB 3.45Å; L875-N879 PolarHBondContact O-N 3.35Å; L875-N879 PolarHBondContact O-ND2 3.29Å |
| 876 | Q | 87.9 | Confident | 87.6 | Confident | 107 Ų | 107 | 98.8 Ų | 98.8 | 50% | 0.5 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.3 | -47.1 | 172.7 | -79 | 173.8 | -18.3 | 0 | 0 | 111.6 | I872 K873 R874 N879 I880 | I872-Q876 HydrophobicContact CG2-CG 4.37Å; I872-Q876 WeakPolarHBondContact O-CB 3.46Å; I872-Q876 VanDerWaalsContact O-CG 3.25Å; I872-Q876 WeakPolarHBondContact O-CG 3.24Å; I872-Q876 PolarHBondContact O-N 3.36Å; K873-Q876 PolarHBondContact O-N 3Å; R874-Q876 VanDerWaalsContact C-N 3.34Å; R874-Q876 PolarHBondContact O-N 3.03Å; Q876-N879 PolarHBondContact O-N 2.92Å; Q876-I880 VanDerWaalsContact O-CG1 3.3Å; Q876-I880 WeakPolarHBondContact O-CG1 3.4Å; Q876-I880 PolarHBondContact O-N 3.38Å |
| 877 | N | 86.1 | Confident | 87.5 | Confident | 111 Ų | 111 | 96.8 Ų | 96.8 | 59% | 0.594 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -63.7 | -41 | 176.4 | -73.2 | -9.8 | 0 | 0 | 0 | 111.7 | K873 R874 I880 Q881 | K873-N877 PolarHBondContact O-N 2.86Å; R874-N877 PolarHBondContact O-N 3.47Å; N877-I880 PolarHBondContact O-N 2.93Å; N877-Q881 PolarHBondContact O-N 3.01Å |
| 878 | E | 88.1 | Confident | 87.5 | Confident | 96 Ų | 96 | 95.4 Ų | 95.4 | 45% | 0.449 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 175.3 | -169.6 | 177.7 | 167.8 | 0 | 0 | 111.7 | R874 I880 Q881 N882 | R874-E878 WeakPolarHBondContact O-CB 3.39Å; R874-E878 PolarHBondContact O-N 3.42Å; E878-I880 PolarHBondContact O-N 3.01Å; E878-Q881 PolarHBondContact O-N 3.35Å; E878-N882 WeakPolarHBondContact O-CB 3.43Å; E878-N882 VanDerWaalsContact O-CG 3.28Å; E878-N882 PolarHBondContact O-N 3.21Å; E878-N882 PolarHBondContact O-ND2 3.05Å |
| 879 | N | 86.2 | Confident | 87.6 | Confident | 110 Ų | 110 | 95.9 Ų | 95.9 | 59% | 0.588 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -63.8 | -37.6 | 173.1 | -95.9 | -49.7 | 0 | 0 | 0 | 113.2 | L875 Q876 R883 | L875-N879 WeakPolarHBondContact O-CB 3.45Å; L875-N879 PolarHBondContact O-N 3.35Å; L875-N879 PolarHBondContact O-ND2 3.29Å; Q876-N879 PolarHBondContact O-N 2.92Å; N879-R883 VanDerWaalsContact O-CB 3.29Å; N879-R883 WeakPolarHBondContact O-CB 3.36Å; N879-R883 PolarHBondContact O-N 2.85Å |
| 880 | I | 88.8 | Confident | 87.6 | Confident | 83 Ų | 83 | 95.7 Ų | 95.7 | 43% | 0.426 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -64.8 | -43.8 | 174.9 | -69.8 | 163.1 | 0 | 0 | 0 | 110.2 | Q876 N877 E878 R883 H884 | Q876-I880 VanDerWaalsContact O-CG1 3.3Å; Q876-I880 WeakPolarHBondContact O-CG1 3.4Å; Q876-I880 PolarHBondContact O-N 3.38Å; N877-I880 PolarHBondContact O-N 2.93Å; E878-I880 PolarHBondContact O-N 3.01Å; I880-R883 PolarHBondContact O-N 3.17Å; I880-H884 WeakPolarHBondContact O-CB 3.37Å; I880-H884 PolarHBondContact O-N 3.26Å |
| 881 | Q | 88 | Confident | 87.8 | Confident | 105 Ų | 105 | 97.5 Ų | 97.5 | 49% | 0.491 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.6 | -44 | 177.4 | -171.6 | 62.1 | 48.4 | 0 | 0 | 112.2 | N877 E878 R883 H884 N885 | N877-Q881 PolarHBondContact O-N 3.01Å; E878-Q881 PolarHBondContact O-N 3.35Å; Q881-R883 VanDerWaalsContact C-N 3.34Å; Q881-R883 PolarHBondContact O-N 3.39Å; Q881-H884 PolarHBondContact O-N 3.13Å; Q881-N885 PolarHBondContact NE2-OD1 2.93Å; Q881-N885 WeakPolarHBondContact O-CB 3.38Å; Q881-N885 PolarHBondContact O-N 2.86Å; Q881-N885 PolarHBondContact O-OD1 3.47Å |
| 882 | N | 89.2 | Confident | 87.9 | Confident | 48 Ų | 48 | 99.4 Ų | 99.4 | 26% | 0.257 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 175.7 | -73.9 | -28.9 | 0 | 0 | 0 | 111.2 | E878 N885 L886 | E878-N882 WeakPolarHBondContact O-CB 3.43Å; E878-N882 VanDerWaalsContact O-CG 3.28Å; E878-N882 PolarHBondContact O-N 3.21Å; E878-N882 PolarHBondContact O-ND2 3.05Å; N882-N885 PolarHBondContact O-N 3.23Å; N882-L886 WeakPolarHBondContact O-CB 3.32Å; N882-L886 WeakPolarHBondContact O-CG 3.48Å; N882-L886 PolarHBondContact O-N 3.13Å |
| 883 | R | 86.4 | Confident | 88.2 | Confident | 135 Ų | 135 | 100.3 Ų | 100.3 | 51% | 0.509 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.6 | -45 | 174.5 | -167.9 | -175.8 | 66.8 | -115.3 | -0.3 | 111.8 | N879 I880 Q881 N885 L886 E887 | N879-R883 VanDerWaalsContact O-CB 3.29Å; N879-R883 WeakPolarHBondContact O-CB 3.36Å; N879-R883 PolarHBondContact O-N 2.85Å; I880-R883 PolarHBondContact O-N 3.17Å; Q881-R883 VanDerWaalsContact C-N 3.34Å; Q881-R883 PolarHBondContact O-N 3.39Å; R883-N885 VanDerWaalsContact C-N 3.32Å; R883-N885 PolarHBondContact O-N 3.37Å; R883-L886 PolarHBondContact O-N 2.86Å; R883-E887 WeakPolarHBondContact CD-OE1 3.47Å; R883-E887 HydrophobicContact CG-CG 4.42Å; R883-E887 WeakPolarHBondContact CG-OE1 3.44Å; R883-E887 IonicContact NE-OE1 2.7Å; R883-E887 PolarHBondContact NE-OE1 3.48Å; R883-E887 WeakPolarHBondContact O-CB 3.35Å; R883-E887 WeakPolarHBondContact O-CG 3.49Å; R883-E887 PolarHBondContact O-N 2.99Å |
| 884 | H | 89.7 | Confident | 88.4 | Confident | 93 Ų | 93 | 98.5 Ų | 98.5 | 43% | 0.431 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.2 | -38.7 | 176.7 | -173.1 | -80.5 | 0 | 0 | 0 | 112.2 | I880 Q881 N888 | I880-H884 WeakPolarHBondContact O-CB 3.37Å; I880-H884 PolarHBondContact O-N 3.26Å; Q881-H884 PolarHBondContact O-N 3.13Å; H884-N888 PolarHBondContact CE1-ND2 3.5Å; H884-N888 VanDerWaalsContact CE1-ND2 3.3Å; H884-N888 PolarHBondContact ND1-ND2 2.85Å; H884-N888 WeakPolarHBondContact O-CB 3.33Å; H884-N888 PolarHBondContact O-N 3.41Å |
| 885 | N | 89.8 | Confident | 88.5 | Confident | 62 Ų | 62 | 97.3 Ų | 97.3 | 33% | 0.332 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.3 | -43.9 | 174.7 | -69.2 | -7.9 | 0 | 0 | 0 | 111.6 | Q881 N882 R883 N888 Q889 | Q881-N885 PolarHBondContact NE2-OD1 2.93Å; Q881-N885 WeakPolarHBondContact O-CB 3.38Å; Q881-N885 PolarHBondContact O-N 2.86Å; Q881-N885 PolarHBondContact O-OD1 3.47Å; N882-N885 PolarHBondContact O-N 3.23Å; R883-N885 VanDerWaalsContact C-N 3.32Å; R883-N885 PolarHBondContact O-N 3.37Å; N885-N888 PolarHBondContact O-N 3.24Å; N885-Q889 WeakPolarHBondContact O-CG 3.47Å; N885-Q889 PolarHBondContact O-N 2.97Å |
| 886 | L | 85.6 | Confident | 88.6 | Confident | 109 Ų | 109 | 96.6 Ų | 96.6 | 57% | 0.571 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -65.8 | -39.8 | 175.6 | -71.6 | 168.1 | 0 | 0 | 0 | 112.4 | N882 R883 N888 Q889 L890 | N882-L886 WeakPolarHBondContact O-CB 3.32Å; N882-L886 WeakPolarHBondContact O-CG 3.48Å; N882-L886 PolarHBondContact O-N 3.13Å; R883-L886 PolarHBondContact O-N 2.86Å; L886-N888 VanDerWaalsContact C-N 3.3Å; L886-N888 PolarHBondContact O-N 3.31Å; L886-Q889 PolarHBondContact O-N 3.26Å; L886-L890 VanDerWaalsContact O-CB 3.27Å; L886-L890 WeakPolarHBondContact O-CB 3.43Å; L886-L890 PolarHBondContact O-N 2.93Å |
| 887 | E | 87.6 | Confident | 88.6 | Confident | 80 Ų | 80 | 96.6 Ų | 96.6 | 37% | 0.374 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62 | -37.7 | 173.7 | -76.4 | 173.1 | -154.2 | 0 | 0 | 111.5 | R883 K891 | R883-E887 WeakPolarHBondContact CD-OE1 3.47Å; R883-E887 HydrophobicContact CG-CG 4.42Å; R883-E887 WeakPolarHBondContact CG-OE1 3.44Å; R883-E887 IonicContact NE-OE1 2.7Å; R883-E887 PolarHBondContact NE-OE1 3.48Å; R883-E887 WeakPolarHBondContact O-CB 3.35Å; R883-E887 WeakPolarHBondContact O-CG 3.49Å; R883-E887 PolarHBondContact O-N 2.99Å; E887-K891 VanDerWaalsContact O-CG 3.28Å; E887-K891 WeakPolarHBondContact O-CG 3.39Å; E887-K891 PolarHBondContact O-N 3.45Å |
| 888 | N | 88.2 | Confident | 88.8 | Confident | 71 Ų | 71 | 94.3 Ų | 94.3 | 38% | 0.38 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -71 | -43.5 | 175.2 | -75.9 | -9.9 | 0 | 0 | 0 | 112.6 | H884 N885 L886 L890 K891 Q892 | H884-N888 PolarHBondContact CE1-ND2 3.5Å; H884-N888 VanDerWaalsContact CE1-ND2 3.3Å; H884-N888 PolarHBondContact ND1-ND2 2.85Å; H884-N888 WeakPolarHBondContact O-CB 3.33Å; H884-N888 PolarHBondContact O-N 3.41Å; N885-N888 PolarHBondContact O-N 3.24Å; L886-N888 VanDerWaalsContact C-N 3.3Å; L886-N888 PolarHBondContact O-N 3.31Å; N888-L890 VanDerWaalsContact C-N 3.3Å; N888-L890 PolarHBondContact O-N 2.7Å; N888-K891 PolarHBondContact O-N 2.92Å; N888-Q892 PolarHBondContact O-N 3.44Å |
| 889 | Q | 90.6 | Very high | 89 | Confident | 100 Ų | 100 | 94.9 Ų | 94.9 | 47% | 0.467 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.7 | -40.5 | 173 | -73.6 | 175.9 | -8.9 | 0 | 0 | 111.5 | N885 L886 Q892 K893 | N885-Q889 WeakPolarHBondContact O-CG 3.47Å; N885-Q889 PolarHBondContact O-N 2.97Å; L886-Q889 PolarHBondContact O-N 3.26Å; Q889-Q892 PolarHBondContact O-N 3.25Å; Q889-K893 WeakPolarHBondContact O-CG 3.47Å; Q889-K893 PolarHBondContact O-N 2.81Å |
| 890 | L | 87.6 | Confident | 89 | Confident | 107 Ų | 107 | 94.6 Ų | 94.6 | 56% | 0.56 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -63.6 | -44.1 | 175.9 | -178.7 | 62.4 | 0 | 0 | 0 | 111.7 | L886 N888 Q892 K893 I894 | L886-L890 VanDerWaalsContact O-CB 3.27Å; L886-L890 WeakPolarHBondContact O-CB 3.43Å; L886-L890 PolarHBondContact O-N 2.93Å; N888-L890 VanDerWaalsContact C-N 3.3Å; N888-L890 PolarHBondContact O-N 2.7Å; L890-Q892 VanDerWaalsContact C-N 3.34Å; L890-Q892 PolarHBondContact O-N 3.21Å; L890-K893 PolarHBondContact O-N 3.08Å; L890-I894 HydrophobicContact CD1-CD1 4.26Å; L890-I894 HydrophobicContact CD1-CG1 4.48Å; L890-I894 HydrophobicContact CG-CD1 3.98Å; L890-I894 WeakPolarHBondContact O-CB 3.35Å; L890-I894 VanDerWaalsContact O-CG1 3.25Å; L890-I894 WeakPolarHBondContact O-CG1 3.37Å; L890-I894 PolarHBondContact O-N 2.7Å |
| 891 | K | 90.9 | Very high | 89.1 | Confident | 125 Ų | 125 | 94.4 Ų | 94.4 | 54% | 0.543 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -59.3 | -44 | 173.2 | -73.6 | 166.6 | -171.2 | 166.3 | 0 | 111.7 | E887 N888 I894 Q895 | E887-K891 VanDerWaalsContact O-CG 3.28Å; E887-K891 WeakPolarHBondContact O-CG 3.39Å; E887-K891 PolarHBondContact O-N 3.45Å; N888-K891 PolarHBondContact O-N 2.92Å; K891-I894 PolarHBondContact O-N 3.21Å; K891-Q895 PolarHBondContact O-N 3.13Å |
| 892 | Q | 89.7 | Confident | 89.3 | Confident | 113 Ų | 113 | 93.1 Ų | 93.1 | 53% | 0.528 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.9 | -45 | 176.2 | -173.8 | -175.4 | -21 | 0 | 0 | 111.5 | N888 Q889 L890 I894 Q895 E896 | N888-Q892 PolarHBondContact O-N 3.44Å; Q889-Q892 PolarHBondContact O-N 3.25Å; L890-Q892 VanDerWaalsContact C-N 3.34Å; L890-Q892 PolarHBondContact O-N 3.21Å; Q892-I894 VanDerWaalsContact C-N 3.32Å; Q892-I894 PolarHBondContact O-N 2.96Å; Q892-Q895 WeakPolarHBondContact O-CB 3.47Å; Q892-Q895 PolarHBondContact O-N 3.4Å; Q892-E896 HydrophobicContact CG-CG 4.5Å; Q892-E896 WeakPolarHBondContact CG-OE1 3.48Å; Q892-E896 PolarHBondContact NE2-OE1 3.28Å; Q892-E896 WeakPolarHBondContact O-CG 3.46Å; Q892-E896 PolarHBondContact O-N 2.93Å |
| 893 | K | 89.7 | Confident | 89.4 | Confident | 111 Ų | 111 | 94.4 Ų | 94.4 | 48% | 0.483 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -68.2 | -29 | 177.8 | -69.1 | -70.7 | 162.9 | -158.9 | 0 | 113.4 | Q889 L890 E896 N897 | Q889-K893 WeakPolarHBondContact O-CG 3.47Å; Q889-K893 PolarHBondContact O-N 2.81Å; L890-K893 PolarHBondContact O-N 3.08Å; K893-E896 WeakPolarHBondContact CD-OE2 3.37Å; K893-E896 WeakPolarHBondContact CE-OE2 3.42Å; K893-E896 IonicContact NZ-OE1 3.08Å; K893-E896 IonicContact NZ-OE2 3.24Å; K893-E896 PolarHBondContact NZ-OE2 3.36Å; K893-N897 WeakPolarHBondContact O-CB 3.42Å; K893-N897 PolarHBondContact O-N 3.45Å; K893-N897 VanDerWaalsContact O-N 3.08Å; K893-N897 PolarHBondContact O-ND2 2.91Å |
| 894 | I | 91.2 | Very high | 89.5 | Confident | 94 Ų | 94 | 92.7 Ų | 92.7 | 48% | 0.482 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66.5 | -46.5 | 169.6 | -71.5 | 164.4 | 0 | 0 | 0 | 110 | L890 K891 Q892 N897 T898 | L890-I894 HydrophobicContact CD1-CD1 4.26Å; L890-I894 HydrophobicContact CD1-CG1 4.48Å; L890-I894 HydrophobicContact CG-CD1 3.98Å; L890-I894 WeakPolarHBondContact O-CB 3.35Å; L890-I894 VanDerWaalsContact O-CG1 3.25Å; L890-I894 WeakPolarHBondContact O-CG1 3.37Å; L890-I894 PolarHBondContact O-N 2.7Å; K891-I894 PolarHBondContact O-N 3.21Å; Q892-I894 VanDerWaalsContact C-N 3.32Å; Q892-I894 PolarHBondContact O-N 2.96Å; I894-N897 PolarHBondContact O-N 2.86Å; I894-T898 PolarHBondContact O-N 2.79Å; I894-T898 PolarHBondContact O-OG1 2.8Å |
| 895 | Q | 91.1 | Very high | 89.6 | Confident | 106 Ų | 106 | 93.2 Ų | 93.2 | 50% | 0.495 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.8 | -49.3 | 177.7 | -178 | 61.4 | 34 | 0 | 0 | 112 | K891 Q892 N897 T898 E899 | K891-Q895 PolarHBondContact O-N 3.13Å; Q892-Q895 WeakPolarHBondContact O-CB 3.47Å; Q892-Q895 PolarHBondContact O-N 3.4Å; Q895-N897 VanDerWaalsContact C-N 3.3Å; Q895-N897 PolarHBondContact O-N 3.47Å; Q895-T898 WeakPolarHBondContact CA-OG1 3.45Å; Q895-T898 PolarHBondContact O-N 3.36Å; Q895-T898 VanDerWaalsContact O-N 3.1Å; Q895-T898 PolarHBondContact O-OG1 3.44Å; Q895-E899 WeakPolarHBondContact CG-OE1 3.43Å; Q895-E899 PolarHBondContact NE2-OE1 3.34Å; Q895-E899 WeakPolarHBondContact O-CG 3.15Å; Q895-E899 PolarHBondContact O-N 3.22Å |
| 896 | E | 89.3 | Confident | 89.6 | Confident | 62 Ų | 62 | 97.2 Ų | 97.2 | 29% | 0.29 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -57.5 | -41.5 | 175.1 | -71.5 | 171.5 | -164.3 | 0 | 0 | 111.5 | Q892 K893 E899 L900 | Q892-E896 HydrophobicContact CG-CG 4.5Å; Q892-E896 WeakPolarHBondContact CG-OE1 3.48Å; Q892-E896 PolarHBondContact NE2-OE1 3.28Å; Q892-E896 WeakPolarHBondContact O-CG 3.46Å; Q892-E896 PolarHBondContact O-N 2.93Å; K893-E896 WeakPolarHBondContact CD-OE2 3.37Å; K893-E896 WeakPolarHBondContact CE-OE2 3.42Å; K893-E896 IonicContact NZ-OE1 3.08Å; K893-E896 IonicContact NZ-OE2 3.24Å; K893-E896 PolarHBondContact NZ-OE2 3.36Å; E896-E899 PolarHBondContact O-N 3.38Å; E896-L900 WeakPolarHBondContact O-CB 3.22Å; E896-L900 VanDerWaalsContact O-CG 3.29Å; E896-L900 WeakPolarHBondContact O-CG 3.15Å; E896-L900 PolarHBondContact O-N 2.93Å |
| 897 | N | 86.5 | Confident | 89.7 | Confident | 108 Ų | 108 | 96.8 Ų | 96.8 | 58% | 0.578 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -66.6 | -36.8 | 175 | -87.8 | -29.4 | 0 | 0 | 0 | 113.2 | K893 I894 Q895 L900 D901 | K893-N897 WeakPolarHBondContact O-CB 3.42Å; K893-N897 PolarHBondContact O-N 3.45Å; K893-N897 VanDerWaalsContact O-N 3.08Å; K893-N897 PolarHBondContact O-ND2 2.91Å; I894-N897 PolarHBondContact O-N 2.86Å; Q895-N897 VanDerWaalsContact C-N 3.3Å; Q895-N897 PolarHBondContact O-N 3.47Å; N897-L900 PolarHBondContact O-N 2.91Å; N897-D901 WeakPolarHBondContact O-CB 3.35Å; N897-D901 PolarHBondContact O-N 3.25Å |
| 898 | T | 90.9 | Very high | 89.8 | Confident | 62 Ų | 62 | 97 Ų | 97 | 38% | 0.38 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.5 | -37.7 | 175.5 | 46 | 0 | 0 | 0 | 0 | 112.2 | I894 Q895 D901 D902 | I894-T898 PolarHBondContact O-N 2.79Å; I894-T898 PolarHBondContact O-OG1 2.8Å; Q895-T898 WeakPolarHBondContact CA-OG1 3.45Å; Q895-T898 PolarHBondContact O-N 3.36Å; Q895-T898 VanDerWaalsContact O-N 3.1Å; Q895-T898 PolarHBondContact O-OG1 3.44Å; T898-D901 PolarHBondContact O-N 3.42Å; T898-D902 PolarHBondContact O-N 3.28Å |
| 899 | E | 91.5 | Very high | 90 | Very high | 108 Ų | 108 | 100.4 Ų | 100.4 | 51% | 0.505 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66 | -41.2 | 175.2 | -71.3 | 169.8 | -161.5 | 0 | 0 | 111.8 | Q895 E896 D902 E903 | Q895-E899 WeakPolarHBondContact CG-OE1 3.43Å; Q895-E899 PolarHBondContact NE2-OE1 3.34Å; Q895-E899 WeakPolarHBondContact O-CG 3.15Å; Q895-E899 PolarHBondContact O-N 3.22Å; E896-E899 PolarHBondContact O-N 3.38Å; E899-D902 PolarHBondContact O-N 2.98Å; E899-E903 PolarHBondContact O-N 3.17Å |
| 900 | L | 86.2 | Confident | 90.1 | Very high | 105 Ų | 105 | 103.4 Ų | 103.4 | 55% | 0.55 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.3 | -41 | 173.9 | -72.1 | 171.1 | 0 | 0 | 0 | 112.5 | E896 N897 E903 I904 | E896-L900 WeakPolarHBondContact O-CB 3.22Å; E896-L900 VanDerWaalsContact O-CG 3.29Å; E896-L900 WeakPolarHBondContact O-CG 3.15Å; E896-L900 PolarHBondContact O-N 2.93Å; N897-L900 PolarHBondContact O-N 2.91Å; L900-E903 PolarHBondContact O-N 3.49Å; L900-I904 WeakPolarHBondContact O-CB 3.45Å; L900-I904 VanDerWaalsContact O-CG1 3.25Å; L900-I904 WeakPolarHBondContact O-CG1 3.4Å; L900-I904 PolarHBondContact O-N 2.9Å |
| 901 | D | 92.4 | Very high | 90.2 | Very high | 78 Ų | 78 | 104.8 Ų | 104.8 | 42% | 0.417 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.9 | -39.4 | 176 | -175.1 | 48.3 | 0 | 0 | 0 | 111.6 | N897 T898 I904 K905 | N897-D901 WeakPolarHBondContact O-CB 3.35Å; N897-D901 PolarHBondContact O-N 3.25Å; T898-D901 PolarHBondContact O-N 3.42Å; D901-I904 PolarHBondContact O-N 2.99Å; D901-K905 VanDerWaalsContact CG-CE 3.47Å; D901-K905 VanDerWaalsContact O-CG 3.3Å; D901-K905 WeakPolarHBondContact O-CG 3.41Å; D901-K905 PolarHBondContact O-N 3.01Å; D901-K905 WeakPolarHBondContact OD2-CE 3.41Å; D901-K905 IonicContact OD2-NZ 3.32Å; D901-K905 PolarHBondContact OD2-NZ 2.87Å |
| 902 | D | 91.7 | Very high | 90.3 | Very high | 78 Ų | 78 | 103 Ų | 103 | 42% | 0.417 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -73.1 | -29 | 175.3 | -76.9 | -15.6 | 0 | 0 | 0 | 113.8 | T898 E899 K905 R906 | T898-D902 PolarHBondContact O-N 3.28Å; E899-D902 PolarHBondContact O-N 2.98Å; D902-K905 IonicContact OD1-NZ 3.48Å; D902-K905 PolarHBondContact OD1-NZ 3.31Å; D902-R906 WeakPolarHBondContact O-CG 3.41Å; D902-R906 PolarHBondContact O-N 3.43Å; D902-R906 VanDerWaalsContact O-N 3.15Å; D902-R906 PolarHBondContact O-NE 3.22Å; D902-R906 VanDerWaalsContact O-NE 3.07Å |
| 903 | E | 90.4 | Very high | 90.4 | Very high | 75 Ų | 75 | 101.7 Ų | 101.7 | 35% | 0.35 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.7 | -44.1 | 167.8 | -169.9 | 59.3 | -132.2 | 0 | 0 | 111.1 | E899 L900 K905 R906 L907 | E899-E903 PolarHBondContact O-N 3.17Å; L900-E903 PolarHBondContact O-N 3.49Å; E903-K905 VanDerWaalsContact C-N 3.33Å; E903-K905 PolarHBondContact O-N 3.03Å; E903-R906 PolarHBondContact O-N 3.28Å; E903-R906 VanDerWaalsContact O-N 3.11Å; E903-R906 IonicContact OE1-NH1 3.12Å; E903-R906 IonicContact OE2-CZ 3.74Å; E903-R906 IonicContact OE2-NE 3Å; E903-R906 IonicContact OE2-NH1 2.66Å; E903-R906 PolarHBondContact OE2-NH1 2.92Å; E903-R906 IonicContact OE2-NH2 2.69Å; E903-R906 PolarHBondContact OE2-NH2 2.99Å; E903-L907 HydrophobicContact CG-CD1 4.19Å; E903-L907 HydrophobicContact CG-CG 4.48Å; E903-L907 WeakPolarHBondContact O-CG 3.46Å; E903-L907 PolarHBondContact O-N 3.4Å |
| 904 | I | 88.2 | Confident | 90.4 | Very high | 99 Ų | 99 | 100.3 Ų | 100.3 | 51% | 0.508 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -57.9 | -45.2 | 174.7 | -72.2 | 165.1 | 0 | 0 | 0 | 110.6 | L900 D901 R906 L907 V908 | L900-I904 WeakPolarHBondContact O-CB 3.45Å; L900-I904 VanDerWaalsContact O-CG1 3.25Å; L900-I904 WeakPolarHBondContact O-CG1 3.4Å; L900-I904 PolarHBondContact O-N 2.9Å; D901-I904 PolarHBondContact O-N 2.99Å; I904-R906 VanDerWaalsContact C-N 3.35Å; I904-R906 PolarHBondContact O-N 3.03Å; I904-L907 PolarHBondContact O-N 3.27Å; I904-V908 HydrophobicContact CG2-CG2 4.29Å; I904-V908 WeakPolarHBondContact O-CB 3.48Å; I904-V908 VanDerWaalsContact O-CG2 3.26Å; I904-V908 WeakPolarHBondContact O-CG2 3.27Å; I904-V908 PolarHBondContact O-N 3.05Å |
| 905 | K | 91.8 | Very high | 90.4 | Very high | 105 Ų | 105 | 100.7 Ų | 100.7 | 46% | 0.457 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.8 | -43.2 | 174.6 | -71.2 | 166.2 | -153.6 | 152.1 | 0 | 112.3 | D901 D902 E903 V908 K909 | D901-K905 VanDerWaalsContact CG-CE 3.47Å; D901-K905 VanDerWaalsContact O-CG 3.3Å; D901-K905 WeakPolarHBondContact O-CG 3.41Å; D901-K905 PolarHBondContact O-N 3.01Å; D901-K905 WeakPolarHBondContact OD2-CE 3.41Å; D901-K905 IonicContact OD2-NZ 3.32Å; D901-K905 PolarHBondContact OD2-NZ 2.87Å; D902-K905 IonicContact OD1-NZ 3.48Å; D902-K905 PolarHBondContact OD1-NZ 3.31Å; E903-K905 VanDerWaalsContact C-N 3.33Å; E903-K905 PolarHBondContact O-N 3.03Å; K905-V908 PolarHBondContact O-N 2.75Å; K905-K909 PolarHBondContact O-N 2.92Å |
| 906 | R | 90.5 | Very high | 90.4 | Very high | 145 Ų | 145 | 101.1 Ų | 101.1 | 55% | 0.547 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.4 | -43.8 | 177.4 | -80.1 | 178.2 | -80.6 | 145.1 | -7.3 | 112 | D902 E903 I904 K909 R910 | D902-R906 WeakPolarHBondContact O-CG 3.41Å; D902-R906 PolarHBondContact O-N 3.43Å; D902-R906 VanDerWaalsContact O-N 3.15Å; D902-R906 PolarHBondContact O-NE 3.22Å; D902-R906 VanDerWaalsContact O-NE 3.07Å; E903-R906 PolarHBondContact O-N 3.28Å; E903-R906 VanDerWaalsContact O-N 3.11Å; E903-R906 IonicContact OE1-NH1 3.12Å; E903-R906 IonicContact OE2-CZ 3.74Å; E903-R906 IonicContact OE2-NE 3Å; E903-R906 IonicContact OE2-NH1 2.66Å; E903-R906 PolarHBondContact OE2-NH1 2.92Å; E903-R906 IonicContact OE2-NH2 2.69Å; E903-R906 PolarHBondContact OE2-NH2 2.99Å; I904-R906 VanDerWaalsContact C-N 3.35Å; I904-R906 PolarHBondContact O-N 3.03Å; R906-K909 PolarHBondContact O-N 3.24Å; R906-R910 PolarHBondContact O-N 3.47Å |
| 907 | L | 86.9 | Confident | 90.5 | Very high | 100 Ų | 100 | 102.5 Ų | 102.5 | 52% | 0.524 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.4 | -39.8 | 176.1 | -68.1 | 173.9 | 0 | 0 | 0 | 112.4 | E903 I904 R910 K911 | E903-L907 HydrophobicContact CG-CD1 4.19Å; E903-L907 HydrophobicContact CG-CG 4.48Å; E903-L907 WeakPolarHBondContact O-CG 3.46Å; E903-L907 PolarHBondContact O-N 3.4Å; I904-L907 PolarHBondContact O-N 3.27Å; L907-R910 PolarHBondContact O-N 2.98Å; L907-K911 WeakPolarHBondContact O-CB 3.49Å; L907-K911 PolarHBondContact O-N 3.31Å |
| 908 | V | 89.6 | Confident | 90.6 | Very high | 86 Ų | 86 | 102 Ų | 102 | 52% | 0.521 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.3 | -43.6 | 174.1 | 167.2 | 0 | 0 | 0 | 0 | 111.1 | I904 K905 K911 E912 | I904-V908 HydrophobicContact CG2-CG2 4.29Å; I904-V908 WeakPolarHBondContact O-CB 3.48Å; I904-V908 VanDerWaalsContact O-CG2 3.26Å; I904-V908 WeakPolarHBondContact O-CG2 3.27Å; I904-V908 PolarHBondContact O-N 3.05Å; K905-V908 PolarHBondContact O-N 2.75Å; V908-K911 WeakPolarHBondContact O-CB 3.34Å; V908-K911 PolarHBondContact O-N 3.49Å; V908-E912 PolarHBondContact O-N 2.93Å; V908-E912 VanDerWaalsContact O-N 3.14Å |
| 909 | K | 92.8 | Very high | 90.5 | Very high | 141 Ų | 141 | 101.9 Ų | 101.9 | 61% | 0.613 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.6 | -50.4 | 174.5 | -175.2 | -179.1 | 175.6 | -176.3 | 0 | 111.4 | K905 R906 K911 E912 D913 | K905-K909 PolarHBondContact O-N 2.92Å; R906-K909 PolarHBondContact O-N 3.24Å; K909-K911 VanDerWaalsContact C-N 3.26Å; K909-K911 PolarHBondContact O-N 3.32Å; K909-E912 PolarHBondContact O-N 3.07Å; K909-D913 PolarHBondContact O-N 3.17Å |
| 910 | R | 93.6 | Very high | 90.5 | Very high | 163 Ų | 163 | 101.9 Ų | 101.9 | 62% | 0.615 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61 | -34.6 | 179.2 | -175.3 | 168 | 176.6 | 83.4 | -2.8 | 112.5 | R906 L907 E912 L914 | R906-R910 PolarHBondContact O-N 3.47Å; L907-R910 PolarHBondContact O-N 2.98Å; R910-E912 VanDerWaalsContact C-N 3.35Å; R910-L914 HydrophobicContact CG-CD1 4.1Å; R910-L914 HydrophobicContact CG-CG 4.46Å; R910-L914 WeakPolarHBondContact O-CB 3.43Å; R910-L914 VanDerWaalsContact O-CG 3.23Å; R910-L914 WeakPolarHBondContact O-CG 3.22Å; R910-L914 PolarHBondContact O-N 3Å |
| 911 | K | 90.3 | Very high | 90.7 | Very high | 137 Ų | 137 | 101.5 Ų | 101.5 | 60% | 0.596 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.6 | -41.6 | 172.2 | 178.9 | -179.6 | 179.1 | 176.6 | 0 | 111.7 | L907 V908 K909 K915 | L907-K911 WeakPolarHBondContact O-CB 3.49Å; L907-K911 PolarHBondContact O-N 3.31Å; V908-K911 WeakPolarHBondContact O-CB 3.34Å; V908-K911 PolarHBondContact O-N 3.49Å; K909-K911 VanDerWaalsContact C-N 3.26Å; K909-K911 PolarHBondContact O-N 3.32Å; K911-K915 WeakPolarHBondContact O-CG 3.4Å; K911-K915 PolarHBondContact O-N 2.93Å; K911-K915 VanDerWaalsContact O-N 3.07Å |
| 912 | E | 92 | Very high | 90.6 | Very high | 88 Ų | 88 | 102.7 Ų | 102.7 | 41% | 0.411 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -71.7 | -42.9 | 178.6 | -152.6 | 62.1 | -149.1 | 0 | 0 | 112.1 | V908 K909 R910 L914 K915 L916 | V908-E912 PolarHBondContact O-N 2.93Å; V908-E912 VanDerWaalsContact O-N 3.14Å; K909-E912 PolarHBondContact O-N 3.07Å; R910-E912 VanDerWaalsContact C-N 3.35Å; E912-L914 VanDerWaalsContact C-N 3.27Å; E912-L914 PolarHBondContact O-N 3.1Å; E912-K915 WeakPolarHBondContact O-CB 3.48Å; E912-K915 PolarHBondContact O-N 3.41Å; E912-K915 VanDerWaalsContact O-N 3.14Å; E912-K915 IonicContact OE1-NZ 3.55Å; E912-K915 PolarHBondContact OE1-NZ 2.86Å; E912-K915 WeakPolarHBondContact OE2-CE 3.42Å; E912-K915 IonicContact OE2-NZ 2.69Å; E912-K915 PolarHBondContact OE2-NZ 3.33Å; E912-L916 PolarHBondContact O-N 2.97Å |
| 913 | D | 92.9 | Very high | 90.6 | Very high | 84 Ų | 84 | 102.5 Ų | 102.5 | 45% | 0.449 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.1 | -41.8 | 173.9 | -62.8 | -29.2 | 0 | 0 | 0 | 111.1 | K909 L916 L917 | K909-D913 PolarHBondContact O-N 3.17Å; D913-L916 PolarHBondContact O-N 3.29Å; D913-L917 PolarHBondContact O-N 2.94Å; D913-L917 VanDerWaalsContact O-N 3.08Å |
| 914 | L | 89.6 | Confident | 90.6 | Very high | 82 Ų | 82 | 103.6 Ų | 103.6 | 43% | 0.429 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.5 | -36.4 | 176.2 | -74.2 | 170.4 | 0 | 0 | 0 | 113.3 | R910 E912 L916 L917 V918 | R910-L914 HydrophobicContact CG-CD1 4.1Å; R910-L914 HydrophobicContact CG-CG 4.46Å; R910-L914 WeakPolarHBondContact O-CB 3.43Å; R910-L914 VanDerWaalsContact O-CG 3.23Å; R910-L914 WeakPolarHBondContact O-CG 3.22Å; R910-L914 PolarHBondContact O-N 3Å; E912-L914 VanDerWaalsContact C-N 3.27Å; E912-L914 PolarHBondContact O-N 3.1Å; L914-L916 VanDerWaalsContact C-N 3.34Å; L914-L917 PolarHBondContact O-N 3.2Å; L914-V918 WeakPolarHBondContact O-CG2 3.44Å; L914-V918 PolarHBondContact O-N 3.48Å |
| 915 | K | 90.4 | Very high | 90.6 | Very high | 103 Ų | 103 | 102 Ų | 102 | 45% | 0.448 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.3 | -42.6 | 172.7 | -72.8 | 178.9 | -163 | 164.4 | 0 | 111.6 | K911 E912 L917 V918 A919 | K911-K915 WeakPolarHBondContact O-CG 3.4Å; K911-K915 PolarHBondContact O-N 2.93Å; K911-K915 VanDerWaalsContact O-N 3.07Å; E912-K915 WeakPolarHBondContact O-CB 3.48Å; E912-K915 PolarHBondContact O-N 3.41Å; E912-K915 VanDerWaalsContact O-N 3.14Å; E912-K915 IonicContact OE1-NZ 3.55Å; E912-K915 PolarHBondContact OE1-NZ 2.86Å; E912-K915 WeakPolarHBondContact OE2-CE 3.42Å; E912-K915 IonicContact OE2-NZ 2.69Å; E912-K915 PolarHBondContact OE2-NZ 3.33Å; K915-L917 VanDerWaalsContact C-N 3.33Å; K915-V918 PolarHBondContact O-N 3.43Å; K915-A919 WeakPolarHBondContact O-CB 3.38Å; K915-A919 PolarHBondContact O-N 3.39Å |
| 916 | L | 91.5 | Very high | 90.5 | Very high | 115 Ų | 115 | 99.8 Ų | 99.8 | 60% | 0.602 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.5 | -42.6 | 178.2 | -69.6 | 172.6 | 0 | 0 | 0 | 110.8 | E912 D913 L914 A919 D920 | E912-L916 PolarHBondContact O-N 2.97Å; D913-L916 PolarHBondContact O-N 3.29Å; L914-L916 VanDerWaalsContact C-N 3.34Å; L916-A919 PolarHBondContact O-N 2.84Å; L916-D920 PolarHBondContact O-N 2.88Å |
| 917 | L | 91.6 | Very high | 90.6 | Very high | 90 Ų | 90 | 97 Ų | 97 | 47% | 0.471 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.7 | -42.4 | 174 | -178.5 | 62.2 | 0 | 0 | 0 | 112.5 | D913 L914 K915 A919 D920 L921 | D913-L917 PolarHBondContact O-N 2.94Å; D913-L917 VanDerWaalsContact O-N 3.08Å; L914-L917 PolarHBondContact O-N 3.2Å; K915-L917 VanDerWaalsContact C-N 3.33Å; L917-A919 VanDerWaalsContact C-N 3.32Å; L917-A919 PolarHBondContact O-N 2.81Å; L917-D920 PolarHBondContact O-N 3.31Å; L917-L921 HydrophobicContact CD1-CD1 4.28Å; L917-L921 HydrophobicContact CD1-CG 4.27Å; L917-L921 HydrophobicContact CG-CD1 4.07Å; L917-L921 HydrophobicContact CG-CG 4.47Å; L917-L921 WeakPolarHBondContact O-CB 3.41Å; L917-L921 VanDerWaalsContact O-CG 3.3Å; L917-L921 WeakPolarHBondContact O-CG 3.39Å; L917-L921 PolarHBondContact O-N 3.15Å |
| 918 | V | 87.6 | Confident | 90.6 | Very high | 97 Ų | 97 | 96.6 Ų | 96.6 | 59% | 0.588 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.3 | -38.6 | 175.7 | 168.5 | 0 | 0 | 0 | 0 | 111.5 | L914 K915 Q922 | L914-V918 WeakPolarHBondContact O-CG2 3.44Å; L914-V918 PolarHBondContact O-N 3.48Å; K915-V918 PolarHBondContact O-N 3.43Å; V918-Q922 WeakPolarHBondContact O-CB 3.2Å; V918-Q922 PolarHBondContact O-N 2.86Å |
| 919 | A | 89.8 | Confident | 90.6 | Very high | 60 Ų | 60 | 97.6 Ų | 97.6 | 50% | 0.496 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.6 | -40.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | K915 L916 L917 Q922 S923 | K915-A919 WeakPolarHBondContact O-CB 3.38Å; K915-A919 PolarHBondContact O-N 3.39Å; L916-A919 PolarHBondContact O-N 2.84Å; L917-A919 VanDerWaalsContact C-N 3.32Å; L917-A919 PolarHBondContact O-N 2.81Å; A919-Q922 PolarHBondContact O-N 2.7Å; A919-S923 PolarHBondContact O-N 3.42Å |
| 920 | D | 91.8 | Very high | 90.5 | Very high | 108 Ų | 108 | 97.3 Ų | 97.3 | 58% | 0.578 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -65.3 | -46.9 | 175.1 | -174.3 | 64.8 | 0 | 0 | 0 | 111.7 | L916 L917 Q922 S923 K924 | L916-D920 PolarHBondContact O-N 2.88Å; L917-D920 PolarHBondContact O-N 3.31Å; D920-Q922 VanDerWaalsContact C-N 3.35Å; D920-Q922 PolarHBondContact O-N 3.47Å; D920-S923 WeakPolarHBondContact O-CB 3.26Å; D920-S923 PolarHBondContact O-N 2.89Å; D920-K924 PolarHBondContact O-N 3.3Å |
| 921 | L | 89.9 | Confident | 90.4 | Very high | 98 Ų | 98 | 94.3 Ų | 94.3 | 51% | 0.513 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61 | -41.1 | 175.3 | -71.4 | 173.9 | 0 | 0 | 0 | 112.1 | L917 K924 V925 | L917-L921 HydrophobicContact CD1-CD1 4.28Å; L917-L921 HydrophobicContact CD1-CG 4.27Å; L917-L921 HydrophobicContact CG-CD1 4.07Å; L917-L921 HydrophobicContact CG-CG 4.47Å; L917-L921 WeakPolarHBondContact O-CB 3.41Å; L917-L921 VanDerWaalsContact O-CG 3.3Å; L917-L921 WeakPolarHBondContact O-CG 3.39Å; L917-L921 PolarHBondContact O-N 3.15Å; L921-K924 PolarHBondContact O-N 3.31Å; L921-V925 WeakPolarHBondContact O-CG2 3.39Å; L921-V925 PolarHBondContact O-N 2.99Å |
| 922 | Q | 90.2 | Very high | 90.4 | Very high | 102 Ų | 102 | 92.8 Ų | 92.8 | 48% | 0.477 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.9 | -45.2 | 174.2 | -174.1 | 62 | 54.4 | 0 | 0 | 111.2 | V918 A919 D920 K924 V925 D926 | V918-Q922 WeakPolarHBondContact O-CB 3.2Å; V918-Q922 PolarHBondContact O-N 2.86Å; A919-Q922 PolarHBondContact O-N 2.7Å; D920-Q922 VanDerWaalsContact C-N 3.35Å; D920-Q922 PolarHBondContact O-N 3.47Å; Q922-K924 PolarHBondContact O-N 3Å; Q922-V925 PolarHBondContact O-N 2.91Å; Q922-V925 VanDerWaalsContact O-N 3.15Å; Q922-D926 PolarHBondContact NE2-OD1 3.36Å; Q922-D926 VanDerWaalsContact O-CG 3.31Å; Q922-D926 PolarHBondContact O-N 3.35Å |
| 923 | S | 91 | Very high | 90.3 | Very high | 75 Ų | 75 | 94.8 Ų | 94.8 | 52% | 0.524 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.3 | -33.8 | 174.7 | -173 | 0 | 0 | 0 | 0 | 112.1 | A919 D920 E927 | A919-S923 PolarHBondContact O-N 3.42Å; D920-S923 WeakPolarHBondContact O-CB 3.26Å; D920-S923 PolarHBondContact O-N 2.89Å; S923-E927 WeakPolarHBondContact O-CB 3.33Å; S923-E927 PolarHBondContact O-N 3.15Å; S923-E927 VanDerWaalsContact O-N 3.07Å |
| 924 | K | 90.8 | Very high | 90.2 | Very high | 98 Ų | 98 | 93.3 Ų | 93.3 | 43% | 0.426 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -73 | -38.9 | 176.1 | -165.4 | 71 | -161.4 | 168.1 | 0 | 112.5 | D920 L921 Q922 E927 L928 | D920-K924 PolarHBondContact O-N 3.3Å; L921-K924 PolarHBondContact O-N 3.31Å; Q922-K924 PolarHBondContact O-N 3Å; K924-E927 IonicContact NZ-OE2 3Å; K924-E927 PolarHBondContact NZ-OE2 3.41Å; K924-E927 PolarHBondContact O-N 2.95Å; K924-L928 HydrophobicContact CG-CD1 4.37Å; K924-L928 WeakPolarHBondContact O-CB 3.3Å; K924-L928 VanDerWaalsContact O-CG 3.31Å; K924-L928 WeakPolarHBondContact O-CG 3.25Å; K924-L928 PolarHBondContact O-N 3.5Å |
| 925 | V | 87.7 | Confident | 90 | Very high | 64 Ų | 64 | 93.2 Ų | 93.2 | 39% | 0.388 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.5 | -46.8 | 172.2 | 170 | 0 | 0 | 0 | 0 | 110.4 | L921 Q922 E927 L928 Q929 | L921-V925 WeakPolarHBondContact O-CG2 3.39Å; L921-V925 PolarHBondContact O-N 2.99Å; Q922-V925 PolarHBondContact O-N 2.91Å; Q922-V925 VanDerWaalsContact O-N 3.15Å; V925-E927 VanDerWaalsContact C-N 3.3Å; V925-E927 PolarHBondContact O-N 2.84Å; V925-L928 PolarHBondContact O-N 2.89Å; V925-Q929 HydrophobicContact CG1-CG 4.35Å; V925-Q929 WeakPolarHBondContact O-CB 3.43Å; V925-Q929 VanDerWaalsContact O-CG 3.31Å; V925-Q929 WeakPolarHBondContact O-CG 3.22Å; V925-Q929 PolarHBondContact O-N 2.98Å |
| 926 | D | 90.6 | Very high | 89.9 | Confident | 60 Ų | 60 | 90.6 Ų | 90.6 | 32% | 0.321 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.1 | -37.3 | 177.2 | -68.4 | 6.7 | 0 | 0 | 0 | 112.3 | Q922 K930 | Q922-D926 PolarHBondContact NE2-OD1 3.36Å; Q922-D926 VanDerWaalsContact O-CG 3.31Å; Q922-D926 PolarHBondContact O-N 3.35Å; D926-K930 WeakPolarHBondContact O-CD 3.4Å; D926-K930 WeakPolarHBondContact O-CG 3.37Å; D926-K930 PolarHBondContact O-N 3.12Å; D926-K930 VanDerWaalsContact O-N 3.13Å |
| 927 | E | 92.1 | Very high | 89.8 | Confident | 85 Ų | 85 | 88.7 Ų | 88.7 | 40% | 0.397 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.7 | -46.6 | 174.8 | -169.5 | -171.9 | -163.6 | 0 | 0 | 111.5 | S923 K924 V925 Q929 K930 Q931 | S923-E927 WeakPolarHBondContact O-CB 3.33Å; S923-E927 PolarHBondContact O-N 3.15Å; S923-E927 VanDerWaalsContact O-N 3.07Å; K924-E927 IonicContact NZ-OE2 3Å; K924-E927 PolarHBondContact NZ-OE2 3.41Å; K924-E927 PolarHBondContact O-N 2.95Å; V925-E927 VanDerWaalsContact C-N 3.3Å; V925-E927 PolarHBondContact O-N 2.84Å; E927-Q929 VanDerWaalsContact C-N 3.33Å; E927-Q929 PolarHBondContact O-N 3.26Å; E927-K930 PolarHBondContact O-N 3.47Å; E927-Q931 WeakPolarHBondContact O-CG 3.33Å; E927-Q931 PolarHBondContact O-N 3.05Å |
| 928 | L | 88 | Confident | 89.8 | Confident | 93 Ų | 93 | 91.3 Ų | 91.3 | 49% | 0.487 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64 | -36.9 | 177.5 | -72.1 | 171.2 | 0 | 0 | 0 | 112 | K924 V925 Q931 N932 | K924-L928 HydrophobicContact CG-CD1 4.37Å; K924-L928 WeakPolarHBondContact O-CB 3.3Å; K924-L928 VanDerWaalsContact O-CG 3.31Å; K924-L928 WeakPolarHBondContact O-CG 3.25Å; K924-L928 PolarHBondContact O-N 3.5Å; V925-L928 PolarHBondContact O-N 2.89Å; L928-Q931 PolarHBondContact O-N 2.88Å; L928-N932 VanDerWaalsContact O-CB 3.3Å; L928-N932 WeakPolarHBondContact O-CB 3.45Å; L928-N932 PolarHBondContact O-N 2.95Å |
| 929 | Q | 89.1 | Confident | 89.6 | Confident | 106 Ų | 106 | 93.8 Ų | 93.8 | 50% | 0.495 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61 | -50.5 | 172.7 | -76.3 | 176 | -5.4 | 0 | 0 | 111.1 | V925 E927 Q931 N932 E933 | V925-Q929 HydrophobicContact CG1-CG 4.35Å; V925-Q929 WeakPolarHBondContact O-CB 3.43Å; V925-Q929 VanDerWaalsContact O-CG 3.31Å; V925-Q929 WeakPolarHBondContact O-CG 3.22Å; V925-Q929 PolarHBondContact O-N 2.98Å; E927-Q929 VanDerWaalsContact C-N 3.33Å; E927-Q929 PolarHBondContact O-N 3.26Å; Q929-Q931 VanDerWaalsContact C-N 3.31Å; Q929-Q931 PolarHBondContact O-N 2.95Å; Q929-N932 PolarHBondContact O-N 2.85Å; Q929-N932 VanDerWaalsContact O-N 3.11Å; Q929-E933 WeakPolarHBondContact O-CG 3.46Å; Q929-E933 PolarHBondContact O-N 3.27Å |
| 930 | K | 91.2 | Very high | 89.5 | Confident | 136 Ų | 136 | 97.9 Ų | 97.9 | 59% | 0.591 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -60 | -38.8 | 175.9 | -72.8 | 163.3 | -176.5 | 155 | 0 | 112.8 | D926 E927 S934 | D926-K930 WeakPolarHBondContact O-CD 3.4Å; D926-K930 WeakPolarHBondContact O-CG 3.37Å; D926-K930 PolarHBondContact O-N 3.12Å; D926-K930 VanDerWaalsContact O-N 3.13Å; E927-K930 PolarHBondContact O-N 3.47Å; K930-S934 WeakPolarHBondContact O-CB 3.37Å; K930-S934 PolarHBondContact O-N 3.49Å |
| 931 | Q | 90.6 | Very high | 89.4 | Confident | 99 Ų | 99 | 96.9 Ų | 96.9 | 46% | 0.463 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 174.3 | -72.3 | -178.4 | 7.8 | 0 | 0 | 111.5 | E927 L928 Q929 S934 M935 | E927-Q931 WeakPolarHBondContact O-CG 3.33Å; E927-Q931 PolarHBondContact O-N 3.05Å; L928-Q931 PolarHBondContact O-N 2.88Å; Q929-Q931 VanDerWaalsContact C-N 3.31Å; Q929-Q931 PolarHBondContact O-N 2.95Å; Q931-S934 PolarHBondContact O-N 2.91Å; Q931-M935 WeakPolarHBondContact O-CB 3.22Å; Q931-M935 WeakPolarHBondContact O-CG 3.43Å; Q931-M935 PolarHBondContact O-N 3.28Å |
| 932 | N | 89.7 | Confident | 89.5 | Confident | 105 Ų | 105 | 98.9 Ų | 98.9 | 56% | 0.561 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -66.9 | -39.3 | 177.6 | -170.9 | 37.1 | 0 | 0 | 0 | 112.5 | L928 Q929 M935 S936 | L928-N932 VanDerWaalsContact O-CB 3.3Å; L928-N932 WeakPolarHBondContact O-CB 3.45Å; L928-N932 PolarHBondContact O-N 2.95Å; Q929-N932 PolarHBondContact O-N 2.85Å; Q929-N932 VanDerWaalsContact O-N 3.11Å; N932-M935 PolarHBondContact O-N 2.98Å; N932-S936 VanDerWaalsContact O-CB 3.23Å; N932-S936 WeakPolarHBondContact O-CB 3.49Å; N932-S936 PolarHBondContact O-N 3.08Å; N932-S936 PolarHBondContact O-OG 3.46Å |
| 933 | E | 90.5 | Very high | 89.4 | Confident | 130 Ų | 130 | 98.2 Ų | 98.2 | 61% | 0.607 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60.3 | -46.3 | 171.8 | -74.1 | 174.2 | 175.1 | 0 | 0 | 111.4 | Q929 M935 S936 Q937 | Q929-E933 WeakPolarHBondContact O-CG 3.46Å; Q929-E933 PolarHBondContact O-N 3.27Å; E933-M935 PolarHBondContact O-N 3.37Å; E933-S936 PolarHBondContact O-N 2.93Å; E933-Q937 PolarHBondContact O-N 3.29Å |
| 934 | S | 90.5 | Very high | 89.1 | Confident | 54 Ų | 54 | 97 Ų | 97 | 38% | 0.378 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.8 | -42.5 | 176.5 | -174.7 | 0 | 0 | 0 | 0 | 112.2 | K930 Q931 Q937 R938 | K930-S934 WeakPolarHBondContact O-CB 3.37Å; K930-S934 PolarHBondContact O-N 3.49Å; Q931-S934 PolarHBondContact O-N 2.91Å; S934-Q937 PolarHBondContact O-N 3.24Å; S934-R938 WeakPolarHBondContact O-CG 3.35Å; S934-R938 PolarHBondContact O-N 3.39Å |
| 935 | M | 85.6 | Confident | 89.1 | Confident | 80 Ų | 80 | 97.1 Ų | 97.1 | 39% | 0.394 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65.1 | -41.9 | 175.1 | -74.7 | -63.5 | -68.4 | 0 | 0 | 111.8 | Q931 N932 E933 Q937 R938 W939 | Q931-M935 WeakPolarHBondContact O-CB 3.22Å; Q931-M935 WeakPolarHBondContact O-CG 3.43Å; Q931-M935 PolarHBondContact O-N 3.28Å; N932-M935 PolarHBondContact O-N 2.98Å; E933-M935 PolarHBondContact O-N 3.37Å; M935-Q937 VanDerWaalsContact C-N 3.34Å; M935-Q937 PolarHBondContact O-N 3.45Å; M935-R938 PolarHBondContact O-N 3.3Å; M935-W939 PolarHBondContact O-N 2.91Å |
| 936 | S | 88.7 | Confident | 89 | Confident | 47 Ų | 47 | 98.3 Ų | 98.3 | 33% | 0.329 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.2 | -35.2 | 177 | -62.8 | 0 | 0 | 0 | 0 | 112.5 | N932 E933 R940 | N932-S936 VanDerWaalsContact O-CB 3.23Å; N932-S936 WeakPolarHBondContact O-CB 3.49Å; N932-S936 PolarHBondContact O-N 3.08Å; N932-S936 PolarHBondContact O-OG 3.46Å; E933-S936 PolarHBondContact O-N 2.93Å; S936-R940 PolarHBondContact O-N 3.33Å |
| 937 | Q | 89.7 | Confident | 88.8 | Confident | 76 Ų | 76 | 98.7 Ų | 98.7 | 36% | 0.355 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.5 | -48.6 | 170.5 | -176.2 | 63.7 | 55.4 | 0 | 0 | 111 | E933 S934 M935 W939 R940 D941 | E933-Q937 PolarHBondContact O-N 3.29Å; S934-Q937 PolarHBondContact O-N 3.24Å; M935-Q937 VanDerWaalsContact C-N 3.34Å; M935-Q937 PolarHBondContact O-N 3.45Å; Q937-W939 VanDerWaalsContact C-N 3.25Å; Q937-W939 PolarHBondContact O-N 2.93Å; Q937-R940 PolarHBondContact O-N 2.93Å; Q937-R940 VanDerWaalsContact O-N 3.07Å; Q937-D941 PolarHBondContact NE2-OD1 2.8Å; Q937-D941 PolarHBondContact O-N 3.3Å |
| 938 | R | 91.2 | Very high | 88.7 | Confident | 144 Ų | 144 | 100.2 Ų | 100.2 | 54% | 0.543 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.1 | -35.5 | 176.6 | -70.1 | 171.4 | -174.7 | -177.5 | 2.8 | 112.7 | S934 M935 R942 | S934-R938 WeakPolarHBondContact O-CG 3.35Å; S934-R938 PolarHBondContact O-N 3.39Å; M935-R938 PolarHBondContact O-N 3.3Å; R938-R942 WeakPolarHBondContact O-CB 3.34Å; R938-R942 VanDerWaalsContact O-CG 3.29Å; R938-R942 WeakPolarHBondContact O-CG 3.5Å; R938-R942 PolarHBondContact O-N 3.18Å |
| 939 | W | 82.1 | Confident | 88.8 | Confident | 150 Ų | 150 | 99.9 Ų | 99.9 | 57% | 0.568 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -66.3 | -46.9 | 172.7 | -79.8 | 119.9 | 0 | 0 | 0 | 111.7 | M935 Q937 D941 R942 T943 | M935-W939 PolarHBondContact O-N 2.91Å; Q937-W939 VanDerWaalsContact C-N 3.25Å; Q937-W939 PolarHBondContact O-N 2.93Å; W939-D941 VanDerWaalsContact C-N 3.31Å; W939-D941 PolarHBondContact O-N 3.02Å; W939-R942 PolarHBondContact O-N 2.94Å; W939-T943 PolarHBondContact O-N 3.42Å; W939-T943 PolarHBondContact O-OG1 3.49Å; W939-T943 VanDerWaalsContact O-OG1 3.09Å |
| 940 | R | 88.5 | Confident | 88.7 | Confident | 146 Ų | 146 | 100.5 Ų | 100.5 | 55% | 0.551 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -58.2 | -41 | 173.8 | -77.5 | -175.5 | -78 | 118.3 | 1.2 | 112.6 | S936 Q937 T943 S944 | S936-R940 PolarHBondContact O-N 3.33Å; Q937-R940 PolarHBondContact O-N 2.93Å; Q937-R940 VanDerWaalsContact O-N 3.07Å; R940-T943 PolarHBondContact O-N 2.89Å; R940-S944 WeakPolarHBondContact O-CB 3.33Å; R940-S944 PolarHBondContact O-N 3.02Å |
| 941 | D | 90.4 | Very high | 88.6 | Confident | 87 Ų | 87 | 99.6 Ų | 99.6 | 47% | 0.465 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.4 | -41.8 | 177.3 | -59 | -23.6 | 0 | 0 | 0 | 111.5 | Q937 W939 S944 L945 | Q937-D941 PolarHBondContact NE2-OD1 2.8Å; Q937-D941 PolarHBondContact O-N 3.3Å; W939-D941 VanDerWaalsContact C-N 3.31Å; W939-D941 PolarHBondContact O-N 3.02Å; D941-S944 PolarHBondContact O-N 3.48Å; D941-L945 PolarHBondContact O-N 3.13Å |
| 942 | R | 90.4 | Very high | 88.5 | Confident | 139 Ų | 139 | 100.1 Ų | 100.1 | 53% | 0.525 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.5 | -45.4 | 174.4 | -78.9 | 173.2 | 171.9 | 177.9 | -3.9 | 112.3 | R938 W939 S944 L945 I946 | R938-R942 WeakPolarHBondContact O-CB 3.34Å; R938-R942 VanDerWaalsContact O-CG 3.29Å; R938-R942 WeakPolarHBondContact O-CG 3.5Å; R938-R942 PolarHBondContact O-N 3.18Å; W939-R942 PolarHBondContact O-N 2.94Å; R942-S944 VanDerWaalsContact C-N 3.32Å; R942-S944 PolarHBondContact O-N 2.99Å; R942-L945 WeakPolarHBondContact O-CB 3.21Å; R942-L945 PolarHBondContact O-N 3.28Å; R942-L945 VanDerWaalsContact O-N 3.1Å; R942-I946 WeakPolarHBondContact O-CG1 3.48Å; R942-I946 PolarHBondContact O-N 3.06Å |
| 943 | T | 88.2 | Confident | 88.3 | Confident | 88 Ų | 88 | 99.6 Ų | 99.6 | 54% | 0.54 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.7 | -43.8 | 174.8 | -57.7 | 0 | 0 | 0 | 0 | 110.5 | W939 R940 L945 I946 D947 | W939-T943 PolarHBondContact O-N 3.42Å; W939-T943 PolarHBondContact O-OG1 3.49Å; W939-T943 VanDerWaalsContact O-OG1 3.09Å; R940-T943 PolarHBondContact O-N 2.89Å; T943-L945 VanDerWaalsContact C-N 3.28Å; T943-L945 PolarHBondContact O-N 3.03Å; T943-I946 PolarHBondContact O-N 3.46Å; T943-D947 WeakPolarHBondContact O-CB 3.49Å; T943-D947 PolarHBondContact O-N 3.44Å |
| 944 | S | 86.4 | Confident | 88.2 | Confident | 51 Ų | 51 | 97.3 Ų | 97.3 | 36% | 0.357 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.5 | -31.9 | 174.5 | -177.7 | 0 | 0 | 0 | 0 | 113.4 | R940 D941 R942 K948 | R940-S944 WeakPolarHBondContact O-CB 3.33Å; R940-S944 PolarHBondContact O-N 3.02Å; D941-S944 PolarHBondContact O-N 3.48Å; R942-S944 VanDerWaalsContact C-N 3.32Å; R942-S944 PolarHBondContact O-N 2.99Å; S944-K948 VanDerWaalsContact O-CD 3.32Å; S944-K948 WeakPolarHBondContact O-CD 3.31Å; S944-K948 VanDerWaalsContact O-CG 3.25Å; S944-K948 WeakPolarHBondContact O-CG 3.24Å; S944-K948 PolarHBondContact O-N 2.96Å; S944-K948 PolarHBondContact OG-NZ 3.38Å |
| 945 | L | 89.3 | Confident | 88.1 | Confident | 100 Ų | 100 | 100.7 Ų | 100.7 | 52% | 0.524 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -73.6 | -43.4 | 175.2 | -177.6 | 62.9 | 0 | 0 | 0 | 111.8 | D941 R942 T943 K948 L949 | D941-L945 PolarHBondContact O-N 3.13Å; R942-L945 WeakPolarHBondContact O-CB 3.21Å; R942-L945 PolarHBondContact O-N 3.28Å; R942-L945 VanDerWaalsContact O-N 3.1Å; T943-L945 VanDerWaalsContact C-N 3.28Å; T943-L945 PolarHBondContact O-N 3.03Å; L945-K948 PolarHBondContact O-N 2.86Å; L945-L949 HydrophobicContact CG-CD1 4.16Å; L945-L949 WeakPolarHBondContact O-CG 3.33Å; L945-L949 PolarHBondContact O-N 3.14Å |
| 946 | I | 87 | Confident | 88.1 | Confident | 89 Ų | 89 | 103.3 Ų | 103.3 | 46% | 0.456 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.2 | -49.6 | 174.8 | -68.8 | 164.4 | 0 | 0 | 0 | 109.6 | R942 T943 K948 L949 E950 | R942-I946 WeakPolarHBondContact O-CG1 3.48Å; R942-I946 PolarHBondContact O-N 3.06Å; T943-I946 PolarHBondContact O-N 3.46Å; I946-K948 PolarHBondContact O-N 2.82Å; I946-K948 VanDerWaalsContact O-N 3.17Å; I946-L949 CarbonylContact O-C 3.55Å; I946-L949 WeakPolarHBondContact O-CA 3.4Å; I946-L949 PolarHBondContact O-N 2.95Å; I946-E950 HydrophobicContact CG2-CG 4.13Å; I946-E950 WeakPolarHBondContact CG2-OE1 3.37Å; I946-E950 WeakPolarHBondContact O-CB 3.43Å; I946-E950 WeakPolarHBondContact O-CG 3.38Å; I946-E950 PolarHBondContact O-N 2.77Å |
| 947 | D | 85.5 | Confident | 88.1 | Confident | 68 Ų | 68 | 106.7 Ų | 106.7 | 36% | 0.364 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.9 | -30 | 178.9 | -173 | 80.2 | 0 | 0 | 0 | 113 | T943 K951 | T943-D947 WeakPolarHBondContact O-CB 3.49Å; T943-D947 PolarHBondContact O-N 3.44Å; D947-K951 VanDerWaalsContact CG-NZ 3.27Å; D947-K951 VanDerWaalsContact O-CD 3.24Å; D947-K951 WeakPolarHBondContact O-CD 3.45Å; D947-K951 VanDerWaalsContact O-CG 3.26Å; D947-K951 WeakPolarHBondContact O-CG 3.24Å; D947-K951 PolarHBondContact O-N 2.92Å; D947-K951 IonicContact OD1-NZ 2.64Å; D947-K951 PolarHBondContact OD1-NZ 2.87Å; D947-K951 IonicContact OD2-NZ 2.77Å; D947-K951 PolarHBondContact OD2-NZ 3.45Å |
| 948 | K | 91.2 | Very high | 88.1 | Confident | 117 Ų | 117 | 107.3 Ų | 107.3 | 51% | 0.509 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -76.2 | -42.6 | 170.8 | -73.6 | 163.1 | -174.5 | 153.6 | 0 | 112.7 | S944 L945 I946 K951 Q952 | S944-K948 VanDerWaalsContact O-CD 3.32Å; S944-K948 WeakPolarHBondContact O-CD 3.31Å; S944-K948 VanDerWaalsContact O-CG 3.25Å; S944-K948 WeakPolarHBondContact O-CG 3.24Å; S944-K948 PolarHBondContact O-N 2.96Å; S944-K948 PolarHBondContact OG-NZ 3.38Å; L945-K948 PolarHBondContact O-N 2.86Å; I946-K948 PolarHBondContact O-N 2.82Å; I946-K948 VanDerWaalsContact O-N 3.17Å; K948-K951 PolarHBondContact O-N 3.18Å; K948-Q952 WeakPolarHBondContact O-CG 3.35Å; K948-Q952 PolarHBondContact O-N 2.83Å |
| 949 | L | 88.3 | Confident | 88 | Confident | 86 Ų | 86 | 105.1 Ų | 105.1 | 45% | 0.45 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.9 | -41.1 | 178.2 | -71.9 | 169.9 | 0 | 0 | 0 | 111.1 | L945 I946 K951 Q952 V953 | L945-L949 HydrophobicContact CG-CD1 4.16Å; L945-L949 WeakPolarHBondContact O-CG 3.33Å; L945-L949 PolarHBondContact O-N 3.14Å; I946-L949 CarbonylContact O-C 3.55Å; I946-L949 WeakPolarHBondContact O-CA 3.4Å; I946-L949 PolarHBondContact O-N 2.95Å; L949-K951 PolarHBondContact O-N 3.11Å; L949-Q952 PolarHBondContact O-N 3.49Å; L949-V953 WeakPolarHBondContact O-CB 3.49Å; L949-V953 VanDerWaalsContact O-CG2 3.29Å; L949-V953 WeakPolarHBondContact O-CG2 3.43Å; L949-V953 PolarHBondContact O-N 3.19Å |
| 950 | E | 87 | Confident | 88.3 | Confident | 118 Ų | 118 | 105 Ų | 105 | 55% | 0.551 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.3 | -44.9 | 173.6 | -72.8 | 174 | 170.3 | 0 | 0 | 111.1 | I946 Q952 V953 E954 | I946-E950 HydrophobicContact CG2-CG 4.13Å; I946-E950 WeakPolarHBondContact CG2-OE1 3.37Å; I946-E950 WeakPolarHBondContact O-CB 3.43Å; I946-E950 WeakPolarHBondContact O-CG 3.38Å; I946-E950 PolarHBondContact O-N 2.77Å; E950-Q952 PolarHBondContact O-N 2.88Å; E950-V953 PolarHBondContact O-N 2.86Å; E950-E954 WeakPolarHBondContact O-CB 3.46Å; E950-E954 PolarHBondContact O-N 2.88Å |
| 951 | K | 89.4 | Confident | 88.3 | Confident | 117 Ų | 117 | 101.3 Ų | 101.3 | 51% | 0.509 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.3 | -37.3 | 175.1 | -73.7 | 165.1 | -170 | 158.9 | 0 | 112.9 | D947 K948 L949 Q955 | D947-K951 VanDerWaalsContact CG-NZ 3.27Å; D947-K951 VanDerWaalsContact O-CD 3.24Å; D947-K951 WeakPolarHBondContact O-CD 3.45Å; D947-K951 VanDerWaalsContact O-CG 3.26Å; D947-K951 WeakPolarHBondContact O-CG 3.24Å; D947-K951 PolarHBondContact O-N 2.92Å; D947-K951 IonicContact OD1-NZ 2.64Å; D947-K951 PolarHBondContact OD1-NZ 2.87Å; D947-K951 IonicContact OD2-NZ 2.77Å; D947-K951 PolarHBondContact OD2-NZ 3.45Å; K948-K951 PolarHBondContact O-N 3.18Å; L949-K951 PolarHBondContact O-N 3.11Å; K951-Q955 WeakPolarHBondContact O-CB 3.42Å; K951-Q955 WeakPolarHBondContact O-CG 3.18Å; K951-Q955 PolarHBondContact O-N 3.33Å |
| 952 | Q | 89.1 | Confident | 88.2 | Confident | 111 Ų | 111 | 103.4 Ų | 103.4 | 52% | 0.519 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.4 | -40.8 | 173.6 | -75.9 | -178.6 | -30.7 | 0 | 0 | 112.3 | K948 L949 E950 Q955 M956 | K948-Q952 WeakPolarHBondContact O-CG 3.35Å; K948-Q952 PolarHBondContact O-N 2.83Å; L949-Q952 PolarHBondContact O-N 3.49Å; E950-Q952 PolarHBondContact O-N 2.88Å; Q952-Q955 PolarHBondContact O-N 3.5Å; Q952-M956 WeakPolarHBondContact O-CB 3.33Å; Q952-M956 WeakPolarHBondContact O-CG 3.36Å; Q952-M956 PolarHBondContact O-N 3.29Å |
| 953 | V | 84.8 | Confident | 88.1 | Confident | 94 Ų | 94 | 102.3 Ų | 102.3 | 57% | 0.57 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.4 | -40 | 176.7 | 168.9 | 0 | 0 | 0 | 0 | 111 | L949 E950 M956 R957 | L949-V953 WeakPolarHBondContact O-CB 3.49Å; L949-V953 VanDerWaalsContact O-CG2 3.29Å; L949-V953 WeakPolarHBondContact O-CG2 3.43Å; L949-V953 PolarHBondContact O-N 3.19Å; E950-V953 PolarHBondContact O-N 2.86Å; V953-M956 PolarHBondContact O-N 3.48Å; V953-R957 PolarHBondContact O-N 3.04Å |
| 954 | E | 89.4 | Confident | 88.1 | Confident | 82 Ų | 82 | 102.3 Ų | 102.3 | 38% | 0.383 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.8 | -43.4 | 174.2 | -169.7 | 64.7 | -158 | 0 | 0 | 111.2 | E950 R957 L958 | E950-E954 WeakPolarHBondContact O-CB 3.46Å; E950-E954 PolarHBondContact O-N 2.88Å; E954-R957 PolarHBondContact O-N 3.45Å; E954-R957 IonicContact OE1-CZ 3.72Å; E954-R957 VanDerWaalsContact OE1-CZ 3.24Å; E954-R957 IonicContact OE1-NH1 2.74Å; E954-R957 PolarHBondContact OE1-NH1 3.37Å; E954-R957 VanDerWaalsContact OE1-NH1 3.08Å; E954-R957 IonicContact OE1-NH2 2.66Å; E954-R957 PolarHBondContact OE1-NH2 2.93Å; E954-R957 IonicContact OE2-CZ 3.87Å; E954-R957 IonicContact OE2-NH1 2.97Å; E954-R957 PolarHBondContact OE2-NH1 3.35Å; E954-R957 IonicContact OE2-NH2 3.21Å; E954-L958 HydrophobicContact CG-CD1 4.49Å; E954-L958 WeakPolarHBondContact O-CG 3.47Å; E954-L958 PolarHBondContact O-N 3.3Å |
| 955 | Q | 87.8 | Confident | 88.3 | Confident | 125 Ų | 125 | 106.3 Ų | 106.3 | 58% | 0.584 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.7 | -43.4 | 172.6 | -77.6 | -179.7 | -22.7 | 0 | 0 | 112.3 | K951 Q952 R957 L958 N959 | K951-Q955 WeakPolarHBondContact O-CB 3.42Å; K951-Q955 WeakPolarHBondContact O-CG 3.18Å; K951-Q955 PolarHBondContact O-N 3.33Å; Q952-Q955 PolarHBondContact O-N 3.5Å; Q955-R957 VanDerWaalsContact C-N 3.33Å; Q955-R957 PolarHBondContact O-N 3.34Å; Q955-L958 PolarHBondContact O-N 3.15Å; Q955-N959 PolarHBondContact O-N 3.43Å; Q955-N959 PolarHBondContact O-OD1 3.11Å |
| 956 | M | 86.3 | Confident | 88.4 | Confident | 135 Ų | 135 | 107.2 Ų | 107.2 | 67% | 0.665 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.6 | -37.8 | 175.4 | -74.6 | 179 | 65.9 | 0 | 0 | 112.1 | Q952 V953 W960 | Q952-M956 WeakPolarHBondContact O-CB 3.33Å; Q952-M956 WeakPolarHBondContact O-CG 3.36Å; Q952-M956 PolarHBondContact O-N 3.29Å; V953-M956 PolarHBondContact O-N 3.48Å; M956-W960 WeakPolarHBondContact O-CB 3.45Å; M956-W960 PolarHBondContact O-N 3.34Å |
| 957 | R | 88.1 | Confident | 88.4 | Confident | 118 Ų | 118 | 108.1 Ų | 108.1 | 45% | 0.445 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.4 | -44.6 | 176.4 | -158.1 | -168.7 | 76.7 | -116.9 | -12.8 | 111.2 | V953 E954 Q955 N959 W960 D961 | V953-R957 PolarHBondContact O-N 3.04Å; E954-R957 PolarHBondContact O-N 3.45Å; E954-R957 IonicContact OE1-CZ 3.72Å; E954-R957 VanDerWaalsContact OE1-CZ 3.24Å; E954-R957 IonicContact OE1-NH1 2.74Å; E954-R957 PolarHBondContact OE1-NH1 3.37Å; E954-R957 VanDerWaalsContact OE1-NH1 3.08Å; E954-R957 IonicContact OE1-NH2 2.66Å; E954-R957 PolarHBondContact OE1-NH2 2.93Å; E954-R957 IonicContact OE2-CZ 3.87Å; E954-R957 IonicContact OE2-NH1 2.97Å; E954-R957 PolarHBondContact OE2-NH1 3.35Å; E954-R957 IonicContact OE2-NH2 3.21Å; Q955-R957 VanDerWaalsContact C-N 3.33Å; Q955-R957 PolarHBondContact O-N 3.34Å; R957-N959 PolarHBondContact O-N 3.47Å; R957-W960 PolarHBondContact O-N 3.01Å; R957-D961 IonicContact NE-OD2 3Å; R957-D961 PolarHBondContact NE-OD2 2.95Å; R957-D961 WeakPolarHBondContact O-CB 3.38Å; R957-D961 PolarHBondContact O-N 2.96Å |
| 958 | L | 88.9 | Confident | 88.4 | Confident | 88 Ų | 88 | 107.9 Ų | 107.9 | 46% | 0.461 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.9 | -46.1 | 176.3 | -70.8 | 170.5 | 0 | 0 | 0 | 111.8 | E954 Q955 W960 D961 E962 | E954-L958 HydrophobicContact CG-CD1 4.49Å; E954-L958 WeakPolarHBondContact O-CG 3.47Å; E954-L958 PolarHBondContact O-N 3.3Å; Q955-L958 PolarHBondContact O-N 3.15Å; L958-W960 VanDerWaalsContact C-N 3.33Å; L958-W960 PolarHBondContact O-N 3.47Å; L958-D961 PolarHBondContact O-N 3.36Å; L958-E962 WeakPolarHBondContact O-CG 3.39Å; L958-E962 PolarHBondContact O-N 2.8Å |
| 959 | N | 89.2 | Confident | 88.4 | Confident | 99 Ų | 99 | 106.5 Ų | 106.5 | 53% | 0.529 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61 | -42.2 | 175.6 | -67.7 | 1.7 | 0 | 0 | 0 | 111.8 | Q955 R957 E962 E963 | Q955-N959 PolarHBondContact O-N 3.43Å; Q955-N959 PolarHBondContact O-OD1 3.11Å; R957-N959 PolarHBondContact O-N 3.47Å; N959-E962 PolarHBondContact O-N 3.38Å; N959-E963 PolarHBondContact O-N 3.19Å |
| 960 | W | 88.3 | Confident | 88.4 | Confident | 146 Ų | 146 | 108.6 Ų | 108.6 | 55% | 0.553 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.1 | -42.1 | 176.1 | 177.6 | -90 | 0 | 0 | 0 | 112.3 | M956 R957 L958 E962 E963 Q964 | M956-W960 WeakPolarHBondContact O-CB 3.45Å; M956-W960 PolarHBondContact O-N 3.34Å; R957-W960 PolarHBondContact O-N 3.01Å; L958-W960 VanDerWaalsContact C-N 3.33Å; L958-W960 PolarHBondContact O-N 3.47Å; W960-E962 VanDerWaalsContact C-N 3.28Å; W960-E962 PolarHBondContact O-N 2.81Å; W960-E963 PolarHBondContact O-N 2.97Å; W960-Q964 WeakPolarHBondContact O-CB 3.36Å; W960-Q964 PolarHBondContact O-N 3.37Å |
| 961 | D | 89.7 | Confident | 88.4 | Confident | 70 Ų | 70 | 108.1 Ų | 108.1 | 37% | 0.374 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.4 | -35.5 | 177.5 | -70 | -28.6 | 0 | 0 | 0 | 110.8 | R957 L958 K965 | R957-D961 IonicContact NE-OD2 3Å; R957-D961 PolarHBondContact NE-OD2 2.95Å; R957-D961 WeakPolarHBondContact O-CB 3.38Å; R957-D961 PolarHBondContact O-N 2.96Å; L958-D961 PolarHBondContact O-N 3.36Å; D961-K965 VanDerWaalsContact O-CB 3.27Å; D961-K965 WeakPolarHBondContact O-CB 3.45Å; D961-K965 PolarHBondContact O-N 2.93Å |
| 962 | E | 88.4 | Confident | 88.4 | Confident | 131 Ų | 131 | 105 Ų | 105 | 61% | 0.612 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -69.1 | -48.6 | 172.1 | -73.1 | -175.2 | 174.4 | 0 | 0 | 113 | L958 N959 W960 Q964 K965 L966 | L958-E962 WeakPolarHBondContact O-CG 3.39Å; L958-E962 PolarHBondContact O-N 2.8Å; N959-E962 PolarHBondContact O-N 3.38Å; W960-E962 VanDerWaalsContact C-N 3.28Å; W960-E962 PolarHBondContact O-N 2.81Å; E962-Q964 PolarHBondContact O-N 3.02Å; E962-K965 PolarHBondContact O-N 3.4Å; E962-L966 WeakPolarHBondContact O-CG 3.45Å; E962-L966 PolarHBondContact O-N 2.85Å |
| 963 | E | 88.4 | Confident | 88.5 | Confident | 116 Ų | 116 | 103.3 Ų | 103.3 | 54% | 0.542 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.4 | -44.8 | 175.2 | -76.7 | -174.8 | 167.4 | 0 | 0 | 111.7 | N959 W960 K965 L966 L967 | N959-E963 PolarHBondContact O-N 3.19Å; W960-E963 PolarHBondContact O-N 2.97Å; E963-K965 VanDerWaalsContact C-N 3.3Å; E963-K965 PolarHBondContact O-N 3.36Å; E963-L966 PolarHBondContact O-N 3.1Å; E963-L967 WeakPolarHBondContact O-CG 3.43Å; E963-L967 PolarHBondContact O-N 3.46Å |
| 964 | Q | 87.6 | Confident | 88.7 | Confident | 87 Ų | 87 | 100.7 Ų | 100.7 | 41% | 0.407 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.7 | -37.2 | 178.4 | -168.8 | -175.6 | -76.1 | 0 | 0 | 111.3 | W960 E962 I968 | W960-Q964 WeakPolarHBondContact O-CB 3.36Å; W960-Q964 PolarHBondContact O-N 3.37Å; E962-Q964 PolarHBondContact O-N 3.02Å; Q964-I968 HydrophobicContact CG-CD1 4.17Å; Q964-I968 WeakPolarHBondContact O-CB 3.33Å; Q964-I968 WeakPolarHBondContact O-CD1 3.46Å; Q964-I968 VanDerWaalsContact O-CG1 3.22Å; Q964-I968 WeakPolarHBondContact O-CG1 3.44Å; Q964-I968 PolarHBondContact O-N 3.31Å |
| 965 | K | 90.7 | Very high | 88.5 | Confident | 136 Ų | 136 | 103.7 Ų | 103.7 | 59% | 0.591 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -64.7 | -47.1 | 173.7 | -177.3 | -177 | 174.4 | -170.9 | 0 | 111.5 | D961 E962 E963 L967 I968 D969 | D961-K965 VanDerWaalsContact O-CB 3.27Å; D961-K965 WeakPolarHBondContact O-CB 3.45Å; D961-K965 PolarHBondContact O-N 2.93Å; E962-K965 PolarHBondContact O-N 3.4Å; E963-K965 VanDerWaalsContact C-N 3.3Å; E963-K965 PolarHBondContact O-N 3.36Å; K965-L967 VanDerWaalsContact C-N 3.33Å; K965-L967 PolarHBondContact O-N 3.08Å; K965-I968 PolarHBondContact O-N 3.05Å; K965-I968 VanDerWaalsContact O-N 3.15Å; K965-D969 PolarHBondContact O-N 3.28Å |
| 966 | L | 91.3 | Very high | 88.6 | Confident | 119 Ų | 119 | 104.7 Ų | 104.7 | 62% | 0.623 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58.3 | -43.9 | 176.3 | -71.4 | 168.2 | 0 | 0 | 0 | 111.8 | E962 E963 I968 D969 E970 | E962-L966 WeakPolarHBondContact O-CG 3.45Å; E962-L966 PolarHBondContact O-N 2.85Å; E963-L966 PolarHBondContact O-N 3.1Å; L966-I968 VanDerWaalsContact C-N 3.34Å; L966-I968 PolarHBondContact O-N 2.75Å; L966-D969 PolarHBondContact O-N 3.21Å; L966-E970 WeakPolarHBondContact O-CB 3.24Å; L966-E970 PolarHBondContact O-N 3.45Å |
| 967 | L | 86.2 | Confident | 88.8 | Confident | 107 Ų | 107 | 104.1 Ų | 104.1 | 56% | 0.56 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.9 | -32.9 | 176.4 | -71.1 | 170 | 0 | 0 | 0 | 113.1 | E963 K965 R971 | E963-L967 WeakPolarHBondContact O-CG 3.43Å; E963-L967 PolarHBondContact O-N 3.46Å; K965-L967 VanDerWaalsContact C-N 3.33Å; K965-L967 PolarHBondContact O-N 3.08Å; L967-R971 WeakPolarHBondContact O-CB 3.41Å; L967-R971 PolarHBondContact O-N 2.96Å |
| 968 | I | 87.2 | Confident | 88.8 | Confident | 63 Ų | 63 | 103.9 Ų | 103.9 | 32% | 0.323 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70.1 | -44.7 | 173.5 | -72.9 | 164.5 | 0 | 0 | 0 | 110.5 | Q964 K965 L966 R971 D972 | Q964-I968 HydrophobicContact CG-CD1 4.17Å; Q964-I968 WeakPolarHBondContact O-CB 3.33Å; Q964-I968 WeakPolarHBondContact O-CD1 3.46Å; Q964-I968 VanDerWaalsContact O-CG1 3.22Å; Q964-I968 WeakPolarHBondContact O-CG1 3.44Å; Q964-I968 PolarHBondContact O-N 3.31Å; K965-I968 PolarHBondContact O-N 3.05Å; K965-I968 VanDerWaalsContact O-N 3.15Å; L966-I968 VanDerWaalsContact C-N 3.34Å; L966-I968 PolarHBondContact O-N 2.75Å; I968-R971 PolarHBondContact O-N 2.61Å; I968-D972 WeakPolarHBondContact O-CB 3.46Å; I968-D972 PolarHBondContact O-N 3.48Å |
| 969 | D | 90.1 | Very high | 88.7 | Confident | 88 Ų | 88 | 103.6 Ų | 103.6 | 47% | 0.471 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 178.4 | -72.6 | -24.8 | 0 | 0 | 0 | 110.9 | K965 L966 D972 T973 | K965-D969 PolarHBondContact O-N 3.28Å; L966-D969 PolarHBondContact O-N 3.21Å; D969-D972 PolarHBondContact O-N 2.78Å; D969-T973 PolarHBondContact O-N 3.5Å; D969-T973 PolarHBondContact O-OG1 2.97Å; D969-T973 VanDerWaalsContact O-OG1 3.08Å |
| 970 | E | 88.7 | Confident | 88.7 | Confident | 130 Ų | 130 | 104.9 Ų | 104.9 | 61% | 0.607 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.5 | -44.3 | 174 | -175.4 | -179.2 | -169.8 | 0 | 0 | 112.4 | L966 D972 T973 A974 | L966-E970 WeakPolarHBondContact O-CB 3.24Å; L966-E970 PolarHBondContact O-N 3.45Å; E970-D972 VanDerWaalsContact C-N 3.26Å; E970-D972 PolarHBondContact O-N 3.3Å; E970-T973 WeakPolarHBondContact CA-OG1 3.36Å; E970-T973 PolarHBondContact O-N 2.93Å; E970-T973 PolarHBondContact O-OG1 3.31Å; E970-A974 WeakPolarHBondContact O-CB 3.48Å; E970-A974 PolarHBondContact O-N 3.13Å |
| 971 | R | 86.5 | Confident | 88.8 | Confident | 108 Ų | 108 | 103.2 Ų | 103.2 | 41% | 0.408 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.5 | -40 | 174.6 | -176.8 | -154.8 | 73.3 | -165.5 | -3.4 | 111.2 | L967 I968 R975 | L967-R971 WeakPolarHBondContact O-CB 3.41Å; L967-R971 PolarHBondContact O-N 2.96Å; I968-R971 PolarHBondContact O-N 2.61Å; R971-R975 WeakPolarHBondContact O-CB 3.33Å; R971-R975 WeakPolarHBondContact O-CG 3.49Å; R971-R975 PolarHBondContact O-N 3.49Å |
| 972 | D | 90.2 | Very high | 88.7 | Confident | 53 Ų | 53 | 104.4 Ų | 104.4 | 28% | 0.283 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -83.3 | -23 | -175.2 | -72.4 | -13.3 | 0 | 0 | 0 | 113.3 | I968 D969 E970 R975 K976 | I968-D972 WeakPolarHBondContact O-CB 3.46Å; I968-D972 PolarHBondContact O-N 3.48Å; D969-D972 PolarHBondContact O-N 2.78Å; E970-D972 VanDerWaalsContact C-N 3.26Å; E970-D972 PolarHBondContact O-N 3.3Å; D972-R975 WeakPolarHBondContact OD1-CD 3.49Å; D972-R975 IonicContact OD1-NH1 2.71Å; D972-K976 VanDerWaalsContact O-CG 3.31Å; D972-K976 WeakPolarHBondContact O-CG 3.45Å; D972-K976 PolarHBondContact O-N 3.24Å |
| 973 | T | 90.1 | Very high | 88.7 | Confident | 74 Ų | 74 | 101.1 Ų | 101.1 | 45% | 0.454 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.9 | -50.3 | 161.2 | 40.4 | 0 | 0 | 0 | 0 | 111.2 | D969 E970 R975 K976 E977 | D969-T973 PolarHBondContact O-N 3.5Å; D969-T973 PolarHBondContact O-OG1 2.97Å; D969-T973 VanDerWaalsContact O-OG1 3.08Å; E970-T973 WeakPolarHBondContact CA-OG1 3.36Å; E970-T973 PolarHBondContact O-N 2.93Å; E970-T973 PolarHBondContact O-OG1 3.31Å; T973-R975 VanDerWaalsContact C-N 3.26Å; T973-R975 PolarHBondContact O-N 3.25Å; T973-K976 WeakPolarHBondContact O-CA 3.33Å; T973-K976 WeakPolarHBondContact O-CB 3.06Å; T973-K976 PolarHBondContact O-N 3.19Å; T973-E977 PolarHBondContact O-N 3.46Å |
| 974 | A | 88.7 | Confident | 88.8 | Confident | 39 Ų | 39 | 100.9 Ų | 100.9 | 32% | 0.322 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -57.9 | -37.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E970 E977 I978 | E970-A974 WeakPolarHBondContact O-CB 3.48Å; E970-A974 PolarHBondContact O-N 3.13Å; A974-E977 PolarHBondContact O-N 2.9Å; A974-I978 WeakPolarHBondContact O-CB 3.21Å; A974-I978 WeakPolarHBondContact O-CD1 3.22Å; A974-I978 VanDerWaalsContact O-CG1 3.24Å; A974-I978 WeakPolarHBondContact O-CG1 3.4Å; A974-I978 PolarHBondContact O-N 3.47Å |
| 975 | R | 87.2 | Confident | 88.8 | Confident | 145 Ų | 145 | 101.3 Ų | 101.3 | 55% | 0.547 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.9 | -36.7 | 173.3 | -80.4 | 169.8 | 167.4 | -164.7 | -5.5 | 113.4 | R971 D972 T973 S979 | R971-R975 WeakPolarHBondContact O-CB 3.33Å; R971-R975 WeakPolarHBondContact O-CG 3.49Å; R971-R975 PolarHBondContact O-N 3.49Å; D972-R975 WeakPolarHBondContact OD1-CD 3.49Å; D972-R975 IonicContact OD1-NH1 2.71Å; T973-R975 VanDerWaalsContact C-N 3.26Å; T973-R975 PolarHBondContact O-N 3.25Å; R975-S979 WeakPolarHBondContact O-CB 3.4Å; R975-S979 PolarHBondContact O-N 3.32Å |
| 976 | K | 89.5 | Confident | 88.6 | Confident | 147 Ų | 147 | 100.5 Ų | 100.5 | 64% | 0.639 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.8 | -48.3 | 174.2 | -74.8 | 167.5 | -176.5 | 171 | 0 | 110.5 | D972 T973 I978 S979 E980 | D972-K976 VanDerWaalsContact O-CG 3.31Å; D972-K976 WeakPolarHBondContact O-CG 3.45Å; D972-K976 PolarHBondContact O-N 3.24Å; T973-K976 WeakPolarHBondContact O-CA 3.33Å; T973-K976 WeakPolarHBondContact O-CB 3.06Å; T973-K976 PolarHBondContact O-N 3.19Å; K976-I978 PolarHBondContact O-N 3.42Å; K976-S979 WeakPolarHBondContact O-CB 3.39Å; K976-S979 PolarHBondContact O-N 2.85Å; K976-S979 VanDerWaalsContact O-N 3.13Å; K976-E980 WeakPolarHBondContact O-CB 3.34Å; K976-E980 PolarHBondContact O-N 3.2Å |
| 977 | E | 89.6 | Confident | 88.5 | Confident | 122 Ų | 122 | 98.7 Ų | 98.7 | 57% | 0.57 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -58.3 | -45.1 | 177.4 | -67.3 | 175.9 | 173.6 | 0 | 0 | 112 | T973 A974 S979 E980 L981 | T973-E977 PolarHBondContact O-N 3.46Å; A974-E977 PolarHBondContact O-N 2.9Å; E977-S979 PolarHBondContact O-N 3.49Å; E977-E980 PolarHBondContact O-N 3.29Å; E977-L981 WeakPolarHBondContact O-CB 3.34Å; E977-L981 WeakPolarHBondContact O-CG 3.37Å; E977-L981 PolarHBondContact O-N 3.41Å |
| 978 | I | 88.3 | Confident | 88.4 | Confident | 114 Ų | 114 | 98.3 Ų | 98.3 | 59% | 0.585 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.9 | -42.8 | 175.2 | -70.6 | 165.9 | 0 | 0 | 0 | 111.4 | A974 K976 E980 L981 H982 | A974-I978 WeakPolarHBondContact O-CB 3.21Å; A974-I978 WeakPolarHBondContact O-CD1 3.22Å; A974-I978 VanDerWaalsContact O-CG1 3.24Å; A974-I978 WeakPolarHBondContact O-CG1 3.4Å; A974-I978 PolarHBondContact O-N 3.47Å; K976-I978 PolarHBondContact O-N 3.42Å; I978-E980 VanDerWaalsContact C-N 3.32Å; I978-E980 PolarHBondContact O-N 3.03Å; I978-L981 PolarHBondContact O-N 3.02Å; I978-H982 WeakPolarHBondContact O-CB 3.3Å; I978-H982 PolarHBondContact O-N 2.96Å |
| 979 | S | 87.2 | Confident | 88.4 | Confident | 81 Ų | 81 | 99.2 Ų | 99.2 | 57% | 0.566 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.7 | -38.1 | 177.7 | -167 | 0 | 0 | 0 | 0 | 112 | R975 K976 E977 H982 S983 | R975-S979 WeakPolarHBondContact O-CB 3.4Å; R975-S979 PolarHBondContact O-N 3.32Å; K976-S979 WeakPolarHBondContact O-CB 3.39Å; K976-S979 PolarHBondContact O-N 2.85Å; K976-S979 VanDerWaalsContact O-N 3.13Å; E977-S979 PolarHBondContact O-N 3.49Å; S979-H982 PolarHBondContact O-N 3.31Å; S979-S983 WeakPolarHBondContact O-CB 3.49Å; S979-S983 PolarHBondContact O-N 2.75Å |
| 980 | E | 89.6 | Confident | 88.3 | Confident | 127 Ų | 127 | 99.6 Ų | 99.6 | 59% | 0.593 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -69.9 | -42.7 | 178.3 | -164.3 | 159.2 | -140.5 | 0 | 0 | 111.6 | K976 E977 I978 S983 Q984 | K976-E980 WeakPolarHBondContact O-CB 3.34Å; K976-E980 PolarHBondContact O-N 3.2Å; E977-E980 PolarHBondContact O-N 3.29Å; I978-E980 VanDerWaalsContact C-N 3.32Å; I978-E980 PolarHBondContact O-N 3.03Å; E980-S983 WeakPolarHBondContact O-CB 3.36Å; E980-S983 PolarHBondContact O-N 3.04Å; E980-Q984 WeakPolarHBondContact O-CG 3.24Å; E980-Q984 PolarHBondContact O-N 3.21Å |
| 981 | L | 89.3 | Confident | 88.4 | Confident | 111 Ų | 111 | 101.3 Ų | 101.3 | 58% | 0.581 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.4 | -40.6 | 169.7 | -74 | 170.9 | 0 | 0 | 0 | 112.3 | E977 I978 Q984 M985 | E977-L981 WeakPolarHBondContact O-CB 3.34Å; E977-L981 WeakPolarHBondContact O-CG 3.37Å; E977-L981 PolarHBondContact O-N 3.41Å; I978-L981 PolarHBondContact O-N 3.02Å; L981-Q984 PolarHBondContact O-N 2.96Å; L981-M985 WeakPolarHBondContact O-CB 3.23Å; L981-M985 PolarHBondContact O-N 3.32Å |
| 982 | H | 88.7 | Confident | 88.4 | Confident | 95 Ų | 95 | 101.7 Ų | 101.7 | 44% | 0.44 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.9 | -38.5 | 178.4 | -158.5 | 91.7 | 0 | 0 | 0 | 111.6 | I978 S979 M985 Q986 | I978-H982 WeakPolarHBondContact O-CB 3.3Å; I978-H982 PolarHBondContact O-N 2.96Å; S979-H982 PolarHBondContact O-N 3.31Å; H982-M985 PolarHBondContact O-N 2.85Å; H982-Q986 PolarHBondContact CD2-NE2 3.19Å; H982-Q986 VanDerWaalsContact CD2-NE2 3.3Å; H982-Q986 PolarHBondContact NE2-NE2 3.4Å; H982-Q986 WeakPolarHBondContact O-CG 3.23Å; H982-Q986 PolarHBondContact O-N 3.38Å |
| 983 | S | 87.4 | Confident | 88.3 | Confident | 62 Ų | 62 | 107.2 Ų | 107.2 | 43% | 0.434 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.6 | -46.9 | 171.4 | -177.3 | 0 | 0 | 0 | 0 | 111.8 | S979 E980 M985 Q986 I987 | S979-S983 WeakPolarHBondContact O-CB 3.49Å; S979-S983 PolarHBondContact O-N 2.75Å; E980-S983 WeakPolarHBondContact O-CB 3.36Å; E980-S983 PolarHBondContact O-N 3.04Å; S983-M985 VanDerWaalsContact C-N 3.32Å; S983-M985 PolarHBondContact O-N 3.36Å; S983-Q986 PolarHBondContact O-N 2.95Å; S983-I987 WeakPolarHBondContact O-CG1 3.33Å; S983-I987 PolarHBondContact O-N 3.49Å |
| 984 | Q | 89.9 | Confident | 88 | Confident | 111 Ų | 111 | 109 Ų | 109 | 52% | 0.519 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.4 | -40.4 | 174.9 | -70.8 | 177.2 | 25.9 | 0 | 0 | 112.3 | E980 L981 I987 M988 | E980-Q984 WeakPolarHBondContact O-CG 3.24Å; E980-Q984 PolarHBondContact O-N 3.21Å; L981-Q984 PolarHBondContact O-N 2.96Å; Q984-I987 PolarHBondContact O-N 3.33Å; Q984-M988 WeakPolarHBondContact O-CB 3.22Å; Q984-M988 PolarHBondContact O-N 3Å |
| 985 | M | 87.6 | Confident | 88 | Confident | 95 Ų | 95 | 112.8 Ų | 112.8 | 47% | 0.468 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.9 | -41.7 | 177.7 | -170.6 | 166 | 63.9 | 0 | 0 | 111.9 | L981 H982 S983 I987 M988 D989 | L981-M985 WeakPolarHBondContact O-CB 3.23Å; L981-M985 PolarHBondContact O-N 3.32Å; H982-M985 PolarHBondContact O-N 2.85Å; S983-M985 VanDerWaalsContact C-N 3.32Å; S983-M985 PolarHBondContact O-N 3.36Å; M985-I987 VanDerWaalsContact C-N 3.35Å; M985-I987 PolarHBondContact O-N 2.94Å; M985-M988 WeakPolarHBondContact O-CB 3.41Å; M985-M988 PolarHBondContact O-N 3.12Å; M985-M988 VanDerWaalsContact O-N 3.1Å; M985-D989 PolarHBondContact O-N 3.42Å |
| 986 | Q | 88 | Confident | 87.9 | Confident | 119 Ų | 119 | 110.7 Ų | 110.7 | 56% | 0.556 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.1 | -41.1 | 173 | -74.5 | -178.6 | 0.2 | 0 | 0 | 112.2 | H982 S983 M988 D989 E990 | H982-Q986 PolarHBondContact CD2-NE2 3.19Å; H982-Q986 VanDerWaalsContact CD2-NE2 3.3Å; H982-Q986 PolarHBondContact NE2-NE2 3.4Å; H982-Q986 WeakPolarHBondContact O-CG 3.23Å; H982-Q986 PolarHBondContact O-N 3.38Å; S983-Q986 PolarHBondContact O-N 2.95Å; Q986-M988 VanDerWaalsContact C-N 3.27Å; Q986-M988 PolarHBondContact O-N 2.91Å; Q986-D989 PolarHBondContact O-N 3.42Å; Q986-E990 WeakPolarHBondContact O-CB 3.36Å; Q986-E990 PolarHBondContact O-N 3.36Å |
| 987 | I | 88.9 | Confident | 87.8 | Confident | 81 Ų | 81 | 106.4 Ų | 106.4 | 42% | 0.415 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.7 | -34.8 | 174.1 | -66.6 | 164.8 | 0 | 0 | 0 | 111.2 | S983 Q984 M985 R991 | S983-I987 WeakPolarHBondContact O-CG1 3.33Å; S983-I987 PolarHBondContact O-N 3.49Å; Q984-I987 PolarHBondContact O-N 3.33Å; M985-I987 VanDerWaalsContact C-N 3.35Å; M985-I987 PolarHBondContact O-N 2.94Å; I987-R991 WeakPolarHBondContact O-CG 3.44Å; I987-R991 PolarHBondContact O-N 2.76Å |
| 988 | M | 84.4 | Confident | 87.6 | Confident | 99 Ų | 99 | 103.6 Ų | 103.6 | 49% | 0.488 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -71.5 | -46.2 | 177.8 | -150.3 | -172 | -44.9 | 0 | 0 | 111.8 | Q984 M985 Q986 E990 R991 F992 | Q984-M988 WeakPolarHBondContact O-CB 3.22Å; Q984-M988 PolarHBondContact O-N 3Å; M985-M988 WeakPolarHBondContact O-CB 3.41Å; M985-M988 PolarHBondContact O-N 3.12Å; M985-M988 VanDerWaalsContact O-N 3.1Å; Q986-M988 VanDerWaalsContact C-N 3.27Å; Q986-M988 PolarHBondContact O-N 2.91Å; M988-E990 VanDerWaalsContact C-N 3.35Å; M988-E990 PolarHBondContact O-N 2.86Å; M988-R991 WeakPolarHBondContact O-CB 3.33Å; M988-R991 PolarHBondContact O-N 2.89Å; M988-F992 HydrophobicContact CG-CD2 4.18Å; M988-F992 HydrophobicContact CG-CE2 3.69Å; M988-F992 HydrophobicContact CG-CZ 4.46Å; M988-F992 WeakPolarHBondContact O-CD2 3.39Å; M988-F992 PolarHBondContact O-N 3.37Å; M988-F992 HydrophobicContact SD-CE2 3.89Å |
| 989 | D | 86.8 | Confident | 87.4 | Confident | 83 Ų | 83 | 100.9 Ų | 100.9 | 44% | 0.444 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.1 | -41 | 175.6 | -87.8 | -0.9 | 0 | 0 | 0 | 112.1 | M985 Q986 F992 R993 | M985-D989 PolarHBondContact O-N 3.42Å; Q986-D989 PolarHBondContact O-N 3.42Å; D989-F992 PolarHBondContact O-N 2.91Å; D989-R993 WeakPolarHBondContact O-CG 3.29Å; D989-R993 PolarHBondContact O-N 2.97Å |
| 990 | E | 88.1 | Confident | 87.3 | Confident | 95 Ų | 95 | 102 Ų | 102 | 44% | 0.444 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 175.8 | -179.1 | 53.7 | -151 | 0 | 0 | 111.3 | Q986 M988 F992 R993 Q994 | Q986-E990 WeakPolarHBondContact O-CB 3.36Å; Q986-E990 PolarHBondContact O-N 3.36Å; M988-E990 VanDerWaalsContact C-N 3.35Å; M988-E990 PolarHBondContact O-N 2.86Å; E990-F992 PolarHBondContact O-N 3.31Å; E990-R993 PolarHBondContact O-N 2.77Å; E990-Q994 VanDerWaalsContact O-CG 3.29Å; E990-Q994 WeakPolarHBondContact O-CG 3.23Å; E990-Q994 PolarHBondContact O-N 3.38Å; E990-Q994 PolarHBondContact OE1-NE2 2.79Å |
| 991 | R | 89.9 | Confident | 87.1 | Confident | 167 Ų | 167 | 101.6 Ų | 101.6 | 63% | 0.63 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63 | -40.5 | 172.6 | -74.1 | 172.7 | 178.9 | 160 | 2 | 112.5 | I987 M988 Q994 Q995 | I987-R991 WeakPolarHBondContact O-CG 3.44Å; I987-R991 PolarHBondContact O-N 2.76Å; M988-R991 WeakPolarHBondContact O-CB 3.33Å; M988-R991 PolarHBondContact O-N 2.89Å; R991-Q994 PolarHBondContact O-N 3.04Å; R991-Q995 WeakPolarHBondContact O-CB 3.23Å; R991-Q995 PolarHBondContact O-N 3.32Å |
| 992 | F | 86.9 | Confident | 86.9 | Confident | 115 Ų | 115 | 101.9 Ų | 101.9 | 50% | 0.504 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.8 | -39 | 175.7 | -76.4 | -53.4 | 0 | 0 | 0 | 112.3 | M988 D989 E990 Q995 L996 | M988-F992 HydrophobicContact CG-CD2 4.18Å; M988-F992 HydrophobicContact CG-CE2 3.69Å; M988-F992 HydrophobicContact CG-CZ 4.46Å; M988-F992 WeakPolarHBondContact O-CD2 3.39Å; M988-F992 PolarHBondContact O-N 3.37Å; M988-F992 HydrophobicContact SD-CE2 3.89Å; D989-F992 PolarHBondContact O-N 2.91Å; E990-F992 PolarHBondContact O-N 3.31Å; F992-Q995 PolarHBondContact O-N 3.11Å; F992-L996 WeakPolarHBondContact O-CB 3.36Å; F992-L996 PolarHBondContact O-N 2.99Å |
| 993 | R | 87.8 | Confident | 86.6 | Confident | 170 Ų | 170 | 103.7 Ų | 103.7 | 64% | 0.642 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.5 | -46.5 | 173.1 | -73.6 | 172.4 | -171.1 | -109.5 | 0.4 | 111.7 | D989 E990 Q995 L996 S997 | D989-R993 WeakPolarHBondContact O-CG 3.29Å; D989-R993 PolarHBondContact O-N 2.97Å; E990-R993 PolarHBondContact O-N 2.77Å; R993-Q995 PolarHBondContact O-N 2.86Å; R993-L996 PolarHBondContact O-N 3.15Å; R993-S997 WeakPolarHBondContact O-CB 3.25Å; R993-S997 PolarHBondContact O-N 3.31Å |
| 994 | Q | 85.2 | Confident | 86.5 | Confident | 110 Ų | 110 | 105.6 Ų | 105.6 | 51% | 0.514 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.5 | -43.2 | 176.8 | -70.3 | 171.9 | 12.2 | 0 | 0 | 111.7 | E990 R991 S998 | E990-Q994 VanDerWaalsContact O-CG 3.29Å; E990-Q994 WeakPolarHBondContact O-CG 3.23Å; E990-Q994 PolarHBondContact O-N 3.38Å; E990-Q994 PolarHBondContact OE1-NE2 2.79Å; R991-Q994 PolarHBondContact O-N 3.04Å; Q994-S998 WeakPolarHBondContact O-CB 3.45Å; Q994-S998 PolarHBondContact O-N 3.24Å |
| 995 | Q | 87.6 | Confident | 86.4 | Confident | 120 Ų | 120 | 105.8 Ų | 105.8 | 56% | 0.561 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.1 | -44 | 175.6 | -172 | 178.3 | 11.7 | 0 | 0 | 112 | R991 F992 R993 S998 T999 | R991-Q995 WeakPolarHBondContact O-CB 3.23Å; R991-Q995 PolarHBondContact O-N 3.32Å; F992-Q995 PolarHBondContact O-N 3.11Å; R993-Q995 PolarHBondContact O-N 2.86Å; Q995-S998 PolarHBondContact O-N 3.26Å; Q995-T999 WeakPolarHBondContact O-CG2 3.46Å; Q995-T999 PolarHBondContact O-N 3.43Å; Q995-T999 PolarHBondContact O-OG1 2.99Å |
| 996 | L | 86.1 | Confident | 86.2 | Confident | 101 Ų | 101 | 104.3 Ų | 104.3 | 53% | 0.529 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.5 | -51.1 | 178.5 | -172.2 | 68.6 | 0 | 0 | 0 | 110.6 | F992 R993 S998 T999 E1000 | F992-L996 WeakPolarHBondContact O-CB 3.36Å; F992-L996 PolarHBondContact O-N 2.99Å; R993-L996 PolarHBondContact O-N 3.15Å; L996-S998 VanDerWaalsContact C-N 3.34Å; L996-S998 PolarHBondContact O-N 3.38Å; L996-T999 CarbonylContact O-C 3.28Å; L996-T999 PolarHBondContact O-N 3.02Å; L996-T999 PolarHBondContact O-OG1 2.91Å; L996-E1000 PolarHBondContact O-N 2.93Å |
| 997 | S | 86.6 | Confident | 86.2 | Confident | 57 Ų | 57 | 102.9 Ų | 102.9 | 40% | 0.399 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -52.4 | -49.4 | 175 | -175 | 0 | 0 | 0 | 0 | 111.8 | R993 T999 E1000 E1001 | R993-S997 WeakPolarHBondContact O-CB 3.25Å; R993-S997 PolarHBondContact O-N 3.31Å; S997-T999 VanDerWaalsContact C-N 3.33Å; S997-T999 PolarHBondContact O-N 3.07Å; S997-E1000 PolarHBondContact O-N 3.43Å; S997-E1000 VanDerWaalsContact O-N 3.15Å; S997-E1001 WeakPolarHBondContact O-CG 3.43Å; S997-E1001 PolarHBondContact O-N 2.87Å |
| 998 | S | 85.4 | Confident | 86 | Confident | 62 Ų | 62 | 103.4 Ų | 103.4 | 43% | 0.434 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.5 | -38.4 | 177.4 | -176.6 | 0 | 0 | 0 | 0 | 112.6 | Q994 Q995 L996 M1002 | Q994-S998 WeakPolarHBondContact O-CB 3.45Å; Q994-S998 PolarHBondContact O-N 3.24Å; Q995-S998 PolarHBondContact O-N 3.26Å; L996-S998 VanDerWaalsContact C-N 3.34Å; L996-S998 PolarHBondContact O-N 3.38Å; S998-M1002 WeakPolarHBondContact O-CB 3.4Å; S998-M1002 WeakPolarHBondContact O-CG 3.44Å; S998-M1002 PolarHBondContact O-N 3.23Å |
| 999 | T | 84.4 | Confident | 86.1 | Confident | 58 Ų | 58 | 104.5 Ų | 104.5 | 36% | 0.356 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -71.3 | -29.8 | 174.8 | 60.2 | 0 | 0 | 0 | 0 | 113.7 | Q995 L996 S997 K1003 | Q995-T999 WeakPolarHBondContact O-CG2 3.46Å; Q995-T999 PolarHBondContact O-N 3.43Å; Q995-T999 PolarHBondContact O-OG1 2.99Å; L996-T999 CarbonylContact O-C 3.28Å; L996-T999 PolarHBondContact O-N 3.02Å; L996-T999 PolarHBondContact O-OG1 2.91Å; S997-T999 VanDerWaalsContact C-N 3.33Å; S997-T999 PolarHBondContact O-N 3.07Å; T999-K1003 WeakPolarHBondContact O-CB 3.44Å; T999-K1003 VanDerWaalsContact O-CG 3.25Å; T999-K1003 WeakPolarHBondContact O-CG 3.47Å; T999-K1003 PolarHBondContact O-N 3.47Å |
| 1000 | E | 85.7 | Confident | 85.9 | Confident | 104 Ų | 104 | 104.1 Ų | 104.1 | 49% | 0.486 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -71.6 | -42.7 | 173.6 | -71.7 | -175.8 | 155.8 | 0 | 0 | 111.5 | L996 S997 M1002 K1003 N1004 | L996-E1000 PolarHBondContact O-N 2.93Å; S997-E1000 PolarHBondContact O-N 3.43Å; S997-E1000 VanDerWaalsContact O-N 3.15Å; E1000-M1002 PolarHBondContact O-N 3.38Å; E1000-K1003 PolarHBondContact O-N 3.11Å; E1000-N1004 WeakPolarHBondContact O-CB 3.43Å; E1000-N1004 VanDerWaalsContact O-CG 3.32Å; E1000-N1004 PolarHBondContact O-N 3.02Å; E1000-N1004 PolarHBondContact O-ND2 3.11Å |
| 1001 | E | 85.2 | Confident | 85.8 | Confident | 119 Ų | 119 | 106.8 Ų | 106.8 | 56% | 0.556 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -57.6 | -48.4 | 171.6 | -71.8 | 177.2 | 167.3 | 0 | 0 | 111.6 | S997 K1003 N1004 L1005 | S997-E1001 WeakPolarHBondContact O-CG 3.43Å; S997-E1001 PolarHBondContact O-N 2.87Å; E1001-K1003 PolarHBondContact O-N 3.37Å; E1001-N1004 PolarHBondContact O-N 3.32Å; E1001-L1005 WeakPolarHBondContact O-CG 3.48Å; E1001-L1005 PolarHBondContact O-N 3.04Å |
| 1002 | M | 84.5 | Confident | 85.6 | Confident | 116 Ų | 116 | 104 Ų | 104 | 57% | 0.571 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.8 | -40.2 | 175.8 | -80.2 | -67.5 | -67.9 | 0 | 0 | 112.9 | S998 E1000 T1006 | S998-M1002 WeakPolarHBondContact O-CB 3.4Å; S998-M1002 WeakPolarHBondContact O-CG 3.44Å; S998-M1002 PolarHBondContact O-N 3.23Å; E1000-M1002 PolarHBondContact O-N 3.38Å; M1002-T1006 WeakPolarHBondContact O-CB 3.45Å; M1002-T1006 PolarHBondContact O-N 3.46Å; M1002-T1006 PolarHBondContact O-OG1 2.99Å |
| 1003 | K | 82.1 | Confident | 85.5 | Confident | 133 Ų | 133 | 103 Ų | 103 | 58% | 0.578 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.1 | -45.9 | 174 | -78.7 | 170.4 | -177.7 | 171.8 | 0 | 111.3 | T999 E1000 E1001 L1005 T1006 V1007 | T999-K1003 WeakPolarHBondContact O-CB 3.44Å; T999-K1003 VanDerWaalsContact O-CG 3.25Å; T999-K1003 WeakPolarHBondContact O-CG 3.47Å; T999-K1003 PolarHBondContact O-N 3.47Å; E1000-K1003 PolarHBondContact O-N 3.11Å; E1001-K1003 PolarHBondContact O-N 3.37Å; K1003-L1005 PolarHBondContact O-N 3.35Å; K1003-T1006 WeakPolarHBondContact O-CB 3.38Å; K1003-T1006 PolarHBondContact O-N 3.47Å; K1003-T1006 VanDerWaalsContact O-N 3.11Å; K1003-V1007 WeakPolarHBondContact O-CG2 3.43Å; K1003-V1007 PolarHBondContact O-N 3.04Å |
| 1004 | N | 86.1 | Confident | 85.2 | Confident | 103 Ų | 103 | 97.6 Ų | 97.6 | 55% | 0.551 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.2 | -42.5 | 179.5 | -75.1 | -28.4 | 0 | 0 | 0 | 112.2 | E1000 E1001 T1006 V1007 N1008 | E1000-N1004 WeakPolarHBondContact O-CB 3.43Å; E1000-N1004 VanDerWaalsContact O-CG 3.32Å; E1000-N1004 PolarHBondContact O-N 3.02Å; E1000-N1004 PolarHBondContact O-ND2 3.11Å; E1001-N1004 PolarHBondContact O-N 3.32Å; N1004-T1006 VanDerWaalsContact C-N 3.33Å; N1004-T1006 PolarHBondContact O-N 2.84Å; N1004-V1007 PolarHBondContact O-N 3.37Å; N1004-N1008 WeakPolarHBondContact O-CB 3.46Å; N1004-N1008 PolarHBondContact O-N 2.93Å; N1004-N1008 PolarHBondContact O-ND2 2.73Å |
| 1005 | L | 86.8 | Confident | 85.2 | Confident | 114 Ų | 114 | 96.4 Ų | 96.4 | 60% | 0.597 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.5 | -42.9 | 171.8 | -72.5 | 170.5 | 0 | 0 | 0 | 111.8 | E1001 K1003 N1008 R1009 | E1001-L1005 WeakPolarHBondContact O-CG 3.48Å; E1001-L1005 PolarHBondContact O-N 3.04Å; K1003-L1005 PolarHBondContact O-N 3.35Å; L1005-N1008 PolarHBondContact O-N 3.38Å; L1005-R1009 PolarHBondContact O-N 2.77Å |
| 1006 | T | 84.6 | Confident | 85.1 | Confident | 64 Ų | 64 | 97.1 Ų | 97.1 | 39% | 0.393 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.8 | -42.4 | 179.4 | -53.4 | 0 | 0 | 0 | 0 | 112.1 | M1002 K1003 N1004 R1009 V1010 | M1002-T1006 WeakPolarHBondContact O-CB 3.45Å; M1002-T1006 PolarHBondContact O-N 3.46Å; M1002-T1006 PolarHBondContact O-OG1 2.99Å; K1003-T1006 WeakPolarHBondContact O-CB 3.38Å; K1003-T1006 PolarHBondContact O-N 3.47Å; K1003-T1006 VanDerWaalsContact O-N 3.11Å; N1004-T1006 VanDerWaalsContact C-N 3.33Å; N1004-T1006 PolarHBondContact O-N 2.84Å; T1006-R1009 PolarHBondContact O-N 3.5Å; T1006-V1010 WeakPolarHBondContact O-CG2 3.42Å; T1006-V1010 PolarHBondContact O-N 3.43Å |
| 1007 | V | 86.2 | Confident | 84.9 | Confident | 90 Ų | 90 | 97.8 Ų | 97.8 | 55% | 0.545 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62 | -44.9 | 175.6 | 168.9 | 0 | 0 | 0 | 0 | 110.7 | K1003 N1004 R1009 V1010 K1011 | K1003-V1007 WeakPolarHBondContact O-CG2 3.43Å; K1003-V1007 PolarHBondContact O-N 3.04Å; N1004-V1007 PolarHBondContact O-N 3.37Å; V1007-R1009 PolarHBondContact O-N 3.47Å; V1007-V1010 PolarHBondContact O-N 2.92Å; V1007-K1011 WeakPolarHBondContact O-CB 3.33Å; V1007-K1011 PolarHBondContact O-N 3.42Å |
| 1008 | N | 85 | Confident | 84.8 | Confident | 92 Ų | 92 | 100.7 Ų | 100.7 | 49% | 0.492 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.2 | -39.4 | 176.8 | -75.2 | -24.7 | 0 | 0 | 0 | 112.3 | N1004 L1005 K1011 N1012 | N1004-N1008 WeakPolarHBondContact O-CB 3.46Å; N1004-N1008 PolarHBondContact O-N 2.93Å; N1004-N1008 PolarHBondContact O-ND2 2.73Å; L1005-N1008 PolarHBondContact O-N 3.38Å; N1008-K1011 PolarHBondContact O-N 3.38Å; N1008-N1012 PolarHBondContact O-N 2.94Å |
| 1009 | R | 87.5 | Confident | 84.7 | Confident | 122 Ų | 122 | 101.8 Ų | 101.8 | 46% | 0.46 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.4 | -51.4 | 173.9 | -175.8 | -173.8 | 60.5 | 72.4 | 7.3 | 111.7 | L1005 T1006 V1007 K1011 N1012 E1013 | L1005-R1009 PolarHBondContact O-N 2.77Å; T1006-R1009 PolarHBondContact O-N 3.5Å; V1007-R1009 PolarHBondContact O-N 3.47Å; R1009-K1011 VanDerWaalsContact C-N 3.28Å; R1009-K1011 PolarHBondContact O-N 3Å; R1009-N1012 PolarHBondContact O-N 3.33Å; R1009-E1013 WeakPolarHBondContact CG-OE1 3.41Å; R1009-E1013 IonicContact CZ-OE1 2.6Å; R1009-E1013 IonicContact CZ-OE2 3.66Å; R1009-E1013 IonicContact NH1-OE1 3.3Å; R1009-E1013 PolarHBondContact NH1-OE1 2.66Å; R1009-E1013 IonicContact NH1-OE2 3.1Å; R1009-E1013 PolarHBondContact NH1-OE2 2.99Å; R1009-E1013 PolarHBondContact O-N 3.06Å |
| 1010 | V | 83.2 | Confident | 84.6 | Confident | 75 Ų | 75 | 101.7 Ų | 101.7 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.1 | -37.3 | 179.4 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | T1006 V1007 E1013 A1014 | T1006-V1010 WeakPolarHBondContact O-CG2 3.42Å; T1006-V1010 PolarHBondContact O-N 3.43Å; V1007-V1010 PolarHBondContact O-N 2.92Å; V1010-E1013 PolarHBondContact O-N 3.37Å; V1010-A1014 WeakPolarHBondContact O-CB 3.45Å; V1010-A1014 PolarHBondContact O-N 2.74Å |
| 1011 | K | 85.2 | Confident | 84.4 | Confident | 150 Ų | 150 | 100.3 Ų | 100.3 | 65% | 0.652 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.8 | -40.9 | 176.6 | -162.4 | 177.5 | -175.2 | -176.9 | 0 | 112.1 | V1007 N1008 R1009 E1015 | V1007-K1011 WeakPolarHBondContact O-CB 3.33Å; V1007-K1011 PolarHBondContact O-N 3.42Å; N1008-K1011 PolarHBondContact O-N 3.38Å; R1009-K1011 VanDerWaalsContact C-N 3.28Å; R1009-K1011 PolarHBondContact O-N 3Å; K1011-E1015 PolarHBondContact O-N 2.94Å; K1011-E1015 VanDerWaalsContact O-N 3.13Å |
| 1012 | N | 85.1 | Confident | 84.1 | Confident | 110 Ų | 110 | 99.6 Ų | 99.6 | 59% | 0.588 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.6 | -39.6 | 174.4 | -72.8 | -11 | 0 | 0 | 0 | 112.4 | N1008 R1009 E1015 Q1016 | N1008-N1012 PolarHBondContact O-N 2.94Å; R1009-N1012 PolarHBondContact O-N 3.33Å; N1012-E1015 PolarHBondContact O-N 2.99Å; N1012-Q1016 VanDerWaalsContact O-CG 3.31Å; N1012-Q1016 WeakPolarHBondContact O-CG 3.41Å; N1012-Q1016 PolarHBondContact O-N 3.2Å |
| 1013 | E | 84.7 | Confident | 84 | Confident | 92 Ų | 92 | 97 Ų | 97 | 43% | 0.43 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.1 | -40 | 175.8 | -74.6 | 166.1 | -173.7 | 0 | 0 | 112.1 | R1009 V1010 Q1016 L1017 | R1009-E1013 WeakPolarHBondContact CG-OE1 3.41Å; R1009-E1013 IonicContact CZ-OE1 2.6Å; R1009-E1013 IonicContact CZ-OE2 3.66Å; R1009-E1013 IonicContact NH1-OE1 3.3Å; R1009-E1013 PolarHBondContact NH1-OE1 2.66Å; R1009-E1013 IonicContact NH1-OE2 3.1Å; R1009-E1013 PolarHBondContact NH1-OE2 2.99Å; R1009-E1013 PolarHBondContact O-N 3.06Å; V1010-E1013 PolarHBondContact O-N 3.37Å; E1013-Q1016 PolarHBondContact O-N 3.41Å; E1013-L1017 PolarHBondContact O-N 3.42Å |
| 1014 | A | 82.4 | Confident | 83.9 | Confident | 57 Ų | 57 | 98.9 Ų | 98.9 | 47% | 0.471 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.4 | -39.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | V1010 L1017 R1018 | V1010-A1014 WeakPolarHBondContact O-CB 3.45Å; V1010-A1014 PolarHBondContact O-N 2.74Å; A1014-L1017 PolarHBondContact O-N 3.13Å; A1014-R1018 PolarHBondContact O-N 2.88Å |
| 1015 | E | 85.4 | Confident | 83.6 | Confident | 86 Ų | 86 | 98.1 Ų | 98.1 | 40% | 0.402 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.2 | -44.3 | 176.2 | -168.5 | 67.1 | -164.8 | 0 | 0 | 111.5 | K1011 N1012 L1017 R1018 I1019 | K1011-E1015 PolarHBondContact O-N 2.94Å; K1011-E1015 VanDerWaalsContact O-N 3.13Å; N1012-E1015 PolarHBondContact O-N 2.99Å; E1015-L1017 VanDerWaalsContact C-N 3.35Å; E1015-L1017 PolarHBondContact O-N 3.46Å; E1015-R1018 PolarHBondContact O-N 3.06Å; E1015-R1018 IonicContact OE1-CZ 3.38Å; E1015-R1018 IonicContact OE1-NH1 3.99Å; E1015-R1018 PolarHBondContact OE1-NH1 3.19Å; E1015-R1018 IonicContact OE1-NH2 3.84Å; E1015-R1018 PolarHBondContact OE1-NH2 2.74Å; E1015-R1018 IonicContact OE2-CZ 2.71Å; E1015-R1018 IonicContact OE2-NH1 2.76Å; E1015-R1018 PolarHBondContact OE2-NH1 3.42Å; E1015-I1019 HydrophobicContact CG-CD1 4.45Å; E1015-I1019 WeakPolarHBondContact O-CG1 3.44Å; E1015-I1019 PolarHBondContact O-N 3.42Å; E1015-I1019 VanDerWaalsContact O-N 3.15Å |
| 1016 | Q | 84.4 | Confident | 83.2 | Confident | 135 Ų | 135 | 96.5 Ų | 96.5 | 63% | 0.631 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.5 | -43.4 | 174.5 | -71.8 | -74.6 | -20.6 | 0 | 0 | 111.9 | N1012 E1013 I1019 A1020 | N1012-Q1016 VanDerWaalsContact O-CG 3.31Å; N1012-Q1016 WeakPolarHBondContact O-CG 3.41Å; N1012-Q1016 PolarHBondContact O-N 3.2Å; E1013-Q1016 PolarHBondContact O-N 3.41Å; Q1016-I1019 PolarHBondContact O-N 3.42Å; Q1016-A1020 PolarHBondContact O-N 3Å |
| 1017 | L | 82.7 | Confident | 83 | Confident | 115 Ų | 115 | 99 Ų | 99 | 60% | 0.602 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.2 | -37.2 | 175.6 | -89.4 | 165.1 | 0 | 0 | 0 | 112.9 | E1013 A1014 E1015 A1020 C1021 | E1013-L1017 PolarHBondContact O-N 3.42Å; A1014-L1017 PolarHBondContact O-N 3.13Å; E1015-L1017 VanDerWaalsContact C-N 3.35Å; E1015-L1017 PolarHBondContact O-N 3.46Å; L1017-A1020 PolarHBondContact O-N 3.03Å; L1017-C1021 WeakPolarHBondContact O-CB 3.43Å; L1017-C1021 PolarHBondContact O-N 3.47Å; L1017-C1021 PolarHBondContact O-SG 3.23Å; L1017-C1021 VanDerWaalsContact O-SG 3.42Å |
| 1018 | R | 84.1 | Confident | 82.6 | Confident | 117 Ų | 117 | 98.2 Ų | 98.2 | 44% | 0.442 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.1 | -48.1 | 176.1 | -161.9 | -171.4 | 75.3 | -116.8 | -12.4 | 111 | A1014 E1015 A1020 C1021 E1022 | A1014-R1018 PolarHBondContact O-N 2.88Å; E1015-R1018 PolarHBondContact O-N 3.06Å; E1015-R1018 IonicContact OE1-CZ 3.38Å; E1015-R1018 IonicContact OE1-NH1 3.99Å; E1015-R1018 PolarHBondContact OE1-NH1 3.19Å; E1015-R1018 IonicContact OE1-NH2 3.84Å; E1015-R1018 PolarHBondContact OE1-NH2 2.74Å; E1015-R1018 IonicContact OE2-CZ 2.71Å; E1015-R1018 IonicContact OE2-NH1 2.76Å; E1015-R1018 PolarHBondContact OE2-NH1 3.42Å; R1018-A1020 VanDerWaalsContact C-N 3.33Å; R1018-A1020 PolarHBondContact O-N 3.37Å; R1018-C1021 PolarHBondContact O-N 2.92Å; R1018-E1022 WeakPolarHBondContact CD-OE1 3.31Å; R1018-E1022 WeakPolarHBondContact CG-OE1 3.49Å; R1018-E1022 IonicContact NE-OE1 3.43Å; R1018-E1022 PolarHBondContact NE-OE1 3.41Å; R1018-E1022 WeakPolarHBondContact O-CG 3.46Å; R1018-E1022 PolarHBondContact O-N 2.94Å |
| 1019 | I | 83.7 | Confident | 82.1 | Confident | 85 Ų | 85 | 98.7 Ų | 98.7 | 44% | 0.436 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60 | -43.1 | 178.3 | -64.6 | 165.2 | 0 | 0 | 0 | 111 | E1015 Q1016 C1021 E1022 A1023 | E1015-I1019 HydrophobicContact CG-CD1 4.45Å; E1015-I1019 WeakPolarHBondContact O-CG1 3.44Å; E1015-I1019 PolarHBondContact O-N 3.42Å; E1015-I1019 VanDerWaalsContact O-N 3.15Å; Q1016-I1019 PolarHBondContact O-N 3.42Å; I1019-C1021 PolarHBondContact O-N 3.21Å; I1019-E1022 PolarHBondContact O-N 3.3Å; I1019-A1023 WeakPolarHBondContact O-CB 3.42Å; I1019-A1023 PolarHBondContact O-N 3.39Å |
| 1020 | A | 83 | Confident | 81.6 | Confident | 57 Ų | 57 | 95.8 Ų | 95.8 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65 | -36.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q1016 L1017 R1018 R1024 | Q1016-A1020 PolarHBondContact O-N 3Å; L1017-A1020 PolarHBondContact O-N 3.03Å; R1018-A1020 VanDerWaalsContact C-N 3.33Å; R1018-A1020 PolarHBondContact O-N 3.37Å; A1020-R1024 PolarHBondContact O-N 3.15Å |
| 1021 | C | 79.7 | Confident | 81.2 | Confident | 74 Ų | 74 | 97.5 Ų | 97.5 | 50% | 0.5 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.2 | -44.3 | 174.3 | -75.8 | 0 | 0 | 0 | 0 | 112.3 | L1017 R1018 I1019 A1023 R1024 V1025 | L1017-C1021 WeakPolarHBondContact O-CB 3.43Å; L1017-C1021 PolarHBondContact O-N 3.47Å; L1017-C1021 PolarHBondContact O-SG 3.23Å; L1017-C1021 VanDerWaalsContact O-SG 3.42Å; R1018-C1021 PolarHBondContact O-N 2.92Å; I1019-C1021 PolarHBondContact O-N 3.21Å; C1021-A1023 VanDerWaalsContact C-N 3.33Å; C1021-A1023 PolarHBondContact O-N 3.03Å; C1021-R1024 PolarHBondContact O-N 3.2Å; C1021-V1025 WeakPolarHBondContact O-CG2 3.38Å; C1021-V1025 PolarHBondContact O-N 3.02Å |
| 1022 | E | 80.5 | Confident | 80.9 | Confident | 105 Ų | 105 | 95.7 Ų | 95.7 | 49% | 0.491 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.4 | -43.5 | 175.8 | -74.2 | 166.6 | -173.6 | 0 | 0 | 111.4 | R1018 I1019 R1024 V1025 S1026 | R1018-E1022 WeakPolarHBondContact CD-OE1 3.31Å; R1018-E1022 WeakPolarHBondContact CG-OE1 3.49Å; R1018-E1022 IonicContact NE-OE1 3.43Å; R1018-E1022 PolarHBondContact NE-OE1 3.41Å; R1018-E1022 WeakPolarHBondContact O-CG 3.46Å; R1018-E1022 PolarHBondContact O-N 2.94Å; I1019-E1022 PolarHBondContact O-N 3.3Å; E1022-R1024 PolarHBondContact O-N 3.27Å; E1022-V1025 PolarHBondContact O-N 3.16Å; E1022-S1026 PolarHBondContact O-N 3.01Å |
| 1023 | A | 81.5 | Confident | 80.5 | Confident | 61 Ų | 61 | 98.9 Ų | 98.9 | 50% | 0.504 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.8 | -44.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I1019 C1021 S1026 E1027 | I1019-A1023 WeakPolarHBondContact O-CB 3.42Å; I1019-A1023 PolarHBondContact O-N 3.39Å; C1021-A1023 VanDerWaalsContact C-N 3.33Å; C1021-A1023 PolarHBondContact O-N 3.03Å; A1023-S1026 WeakPolarHBondContact O-CB 3.49Å; A1023-S1026 PolarHBondContact O-N 3.48Å; A1023-E1027 PolarHBondContact O-N 3.44Å; A1023-E1027 VanDerWaalsContact O-N 3.08Å |
| 1024 | R | 80 | Confident | 80.1 | Confident | 173 Ų | 173 | 98.4 Ų | 98.4 | 65% | 0.653 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -74.6 | -26.6 | -177.2 | -163.3 | 149.6 | 65.5 | 114.4 | -1.5 | 113.7 | A1020 C1021 E1022 V1028 | A1020-R1024 PolarHBondContact O-N 3.15Å; C1021-R1024 PolarHBondContact O-N 3.2Å; E1022-R1024 PolarHBondContact O-N 3.27Å; R1024-V1028 WeakPolarHBondContact O-CG2 3.36Å; R1024-V1028 PolarHBondContact O-N 3.45Å; R1024-V1028 VanDerWaalsContact O-N 3.16Å |
| 1025 | V | 79.6 | Confident | 79.6 | Confident | 87 Ų | 87 | 100.6 Ų | 100.6 | 53% | 0.527 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.8 | -45.2 | 168.4 | 171.4 | 0 | 0 | 0 | 0 | 110.3 | C1021 E1022 E1027 V1028 E1029 | C1021-V1025 WeakPolarHBondContact O-CG2 3.38Å; C1021-V1025 PolarHBondContact O-N 3.02Å; E1022-V1025 PolarHBondContact O-N 3.16Å; V1025-E1027 VanDerWaalsContact C-N 3.31Å; V1025-E1027 PolarHBondContact O-N 3.47Å; V1025-V1028 PolarHBondContact O-N 3.22Å; V1025-E1029 WeakPolarHBondContact O-CG 3.49Å; V1025-E1029 PolarHBondContact O-N 3.44Å |
| 1026 | S | 79 | Confident | 79.1 | Confident | 80 Ų | 80 | 102 Ų | 102 | 56% | 0.559 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60 | -39.2 | 177.1 | -167.4 | 0 | 0 | 0 | 0 | 112.7 | E1022 A1023 E1029 S1030 | E1022-S1026 PolarHBondContact O-N 3.01Å; A1023-S1026 WeakPolarHBondContact O-CB 3.49Å; A1023-S1026 PolarHBondContact O-N 3.48Å; S1026-E1029 PolarHBondContact O-N 3.33Å; S1026-S1030 PolarHBondContact O-N 3.38Å |
| 1027 | E | 79.8 | Confident | 78.7 | Confident | 117 Ų | 117 | 101 Ų | 101 | 55% | 0.547 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.7 | -50.4 | 175.3 | -169.8 | 169.1 | -141.9 | 0 | 0 | 111.8 | A1023 V1025 E1029 S1030 E1031 | A1023-E1027 PolarHBondContact O-N 3.44Å; A1023-E1027 VanDerWaalsContact O-N 3.08Å; V1025-E1027 VanDerWaalsContact C-N 3.31Å; V1025-E1027 PolarHBondContact O-N 3.47Å; E1027-E1029 VanDerWaalsContact C-N 3.32Å; E1027-E1029 PolarHBondContact O-N 3.1Å; E1027-S1030 WeakPolarHBondContact O-CA 3.31Å; E1027-S1030 WeakPolarHBondContact O-CB 3.43Å; E1027-S1030 PolarHBondContact O-N 3.4Å; E1027-S1030 PolarHBondContact O-OG 3.05Å; E1027-E1031 PolarHBondContact O-N 3.45Å; E1027-E1031 VanDerWaalsContact O-N 3.1Å |
| 1028 | V | 77.1 | Confident | 78.3 | Confident | 72 Ų | 72 | 101.4 Ų | 101.4 | 44% | 0.436 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.5 | -36.3 | 176.9 | 172.1 | 0 | 0 | 0 | 0 | 112.2 | R1024 V1025 S1030 E1031 M1032 | R1024-V1028 WeakPolarHBondContact O-CG2 3.36Å; R1024-V1028 PolarHBondContact O-N 3.45Å; R1024-V1028 VanDerWaalsContact O-N 3.16Å; V1025-V1028 PolarHBondContact O-N 3.22Å; V1028-S1030 PolarHBondContact O-N 2.97Å; V1028-E1031 PolarHBondContact O-N 3.35Å; V1028-M1032 WeakPolarHBondContact O-CB 3.47Å; V1028-M1032 PolarHBondContact O-N 3.08Å |
| 1029 | E | 75.5 | Confident | 77.9 | Confident | 102 Ų | 102 | 98.5 Ų | 98.5 | 48% | 0.477 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63 | -29.1 | 172.6 | -77.4 | -169.9 | -170.6 | 0 | 0 | 112.9 | V1025 S1026 E1027 R1033 | V1025-E1029 WeakPolarHBondContact O-CG 3.49Å; V1025-E1029 PolarHBondContact O-N 3.44Å; S1026-E1029 PolarHBondContact O-N 3.33Å; E1027-E1029 VanDerWaalsContact C-N 3.32Å; E1027-E1029 PolarHBondContact O-N 3.1Å; E1029-R1033 VanDerWaalsContact O-CG 3.27Å; E1029-R1033 WeakPolarHBondContact O-CG 3.27Å; E1029-R1033 PolarHBondContact O-N 3.37Å |
| 1030 | S | 76.1 | Confident | 77.5 | Confident | 62 Ų | 62 | 98 Ų | 98 | 43% | 0.434 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -76.1 | -39.8 | 174.9 | 84 | 0 | 0 | 0 | 0 | 112.4 | S1026 E1027 V1028 R1033 T1034 | S1026-S1030 PolarHBondContact O-N 3.38Å; E1027-S1030 WeakPolarHBondContact O-CA 3.31Å; E1027-S1030 WeakPolarHBondContact O-CB 3.43Å; E1027-S1030 PolarHBondContact O-N 3.4Å; E1027-S1030 PolarHBondContact O-OG 3.05Å; V1028-S1030 PolarHBondContact O-N 2.97Å; S1030-R1033 PolarHBondContact O-N 2.93Å; S1030-T1034 PolarHBondContact O-N 2.96Å; S1030-T1034 PolarHBondContact O-OG1 3.07Å |
| 1031 | E | 76.3 | Confident | 77.3 | Confident | 110 Ų | 110 | 99.5 Ų | 99.5 | 51% | 0.514 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62 | -46.4 | 174.3 | -65.8 | -175.8 | 151 | 0 | 0 | 110.7 | E1027 V1028 R1033 T1034 I1035 | E1027-E1031 PolarHBondContact O-N 3.45Å; E1027-E1031 VanDerWaalsContact O-N 3.1Å; V1028-E1031 PolarHBondContact O-N 3.35Å; E1031-R1033 VanDerWaalsContact C-N 3.32Å; E1031-R1033 PolarHBondContact O-N 2.67Å; E1031-T1034 WeakPolarHBondContact O-CA 3.42Å; E1031-T1034 WeakPolarHBondContact O-CB 3.44Å; E1031-T1034 PolarHBondContact O-N 2.98Å; E1031-I1035 WeakPolarHBondContact O-CG1 3.47Å; E1031-I1035 PolarHBondContact O-N 3.39Å |
| 1032 | M | 77.6 | Confident | 76.9 | Confident | 112 Ų | 112 | 99.5 Ų | 99.5 | 55% | 0.552 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -57.1 | -42 | 177.9 | -169.8 | 86.9 | 76.5 | 0 | 0 | 112.4 | V1028 T1034 I1035 L1036 | V1028-M1032 WeakPolarHBondContact O-CB 3.47Å; V1028-M1032 PolarHBondContact O-N 3.08Å; M1032-T1034 VanDerWaalsContact C-N 3.27Å; M1032-T1034 PolarHBondContact O-N 3.37Å; M1032-I1035 PolarHBondContact O-N 3.36Å; M1032-L1036 HydrophobicContact CG-CD1 4.31Å; M1032-L1036 VanDerWaalsContact O-CG 3.31Å; M1032-L1036 WeakPolarHBondContact O-CG 3.38Å; M1032-L1036 PolarHBondContact O-N 3.19Å |
| 1033 | R | 77.3 | Confident | 76.6 | Confident | 177 Ų | 177 | 99.9 Ų | 99.9 | 67% | 0.668 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62 | -36.3 | 175.6 | -71.8 | 168.8 | -162.1 | -123.4 | 5.4 | 111.9 | E1029 S1030 E1031 L1037 | E1029-R1033 VanDerWaalsContact O-CG 3.27Å; E1029-R1033 WeakPolarHBondContact O-CG 3.27Å; E1029-R1033 PolarHBondContact O-N 3.37Å; S1030-R1033 PolarHBondContact O-N 2.93Å; E1031-R1033 VanDerWaalsContact C-N 3.32Å; E1031-R1033 PolarHBondContact O-N 2.67Å; R1033-L1037 PolarHBondContact O-N 2.98Å |
| 1034 | T | 76.8 | Confident | 76.2 | Confident | 82 Ų | 82 | 102.6 Ų | 102.6 | 50% | 0.503 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -70 | -47.3 | 179.5 | -48.9 | 0 | 0 | 0 | 0 | 110.8 | S1030 E1031 M1032 L1036 L1037 E1038 | S1030-T1034 PolarHBondContact O-N 2.96Å; S1030-T1034 PolarHBondContact O-OG1 3.07Å; E1031-T1034 WeakPolarHBondContact O-CA 3.42Å; E1031-T1034 WeakPolarHBondContact O-CB 3.44Å; E1031-T1034 PolarHBondContact O-N 2.98Å; M1032-T1034 VanDerWaalsContact C-N 3.27Å; M1032-T1034 PolarHBondContact O-N 3.37Å; T1034-L1036 VanDerWaalsContact C-N 3.34Å; T1034-L1036 PolarHBondContact O-N 3.08Å; T1034-L1037 WeakPolarHBondContact O-CB 3.38Å; T1034-L1037 PolarHBondContact O-N 3.35Å; T1034-L1037 VanDerWaalsContact O-N 3.08Å; T1034-E1038 PolarHBondContact O-N 2.96Å; T1034-E1038 VanDerWaalsContact O-N 3.07Å |
| 1035 | I | 72.5 | Confident | 75.9 | Confident | 104 Ų | 104 | 97 Ų | 97 | 53% | 0.533 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.4 | -41.9 | 176.9 | -66.3 | 164.4 | 0 | 0 | 0 | 111.7 | E1031 M1032 L1037 E1038 A1039 | E1031-I1035 WeakPolarHBondContact O-CG1 3.47Å; E1031-I1035 PolarHBondContact O-N 3.39Å; M1032-I1035 PolarHBondContact O-N 3.36Å; I1035-L1037 VanDerWaalsContact C-N 3.27Å; I1035-L1037 PolarHBondContact O-N 3.38Å; I1035-E1038 PolarHBondContact O-N 2.99Å; I1035-A1039 WeakPolarHBondContact O-CB 3.35Å; I1035-A1039 PolarHBondContact O-N 3.1Å |
| 1036 | L | 73.2 | Confident | 75.4 | Confident | 114 Ų | 114 | 96.3 Ų | 96.3 | 60% | 0.597 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.8 | -33.9 | 176.7 | -73.8 | 168.4 | 0 | 0 | 0 | 112.6 | M1032 T1034 E1040 | M1032-L1036 HydrophobicContact CG-CD1 4.31Å; M1032-L1036 VanDerWaalsContact O-CG 3.31Å; M1032-L1036 WeakPolarHBondContact O-CG 3.38Å; M1032-L1036 PolarHBondContact O-N 3.19Å; T1034-L1036 VanDerWaalsContact C-N 3.34Å; T1034-L1036 PolarHBondContact O-N 3.08Å; L1036-E1040 PolarHBondContact O-N 3.17Å; L1036-E1040 VanDerWaalsContact O-N 3.17Å |
| 1037 | L | 77.1 | Confident | 75 | Confident | 114 Ų | 114 | 97.7 Ų | 97.7 | 60% | 0.597 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -73.2 | -38.9 | 178.8 | -134.9 | 155 | 0 | 0 | 0 | 111.5 | R1033 T1034 I1035 N1041 | R1033-L1037 PolarHBondContact O-N 2.98Å; T1034-L1037 WeakPolarHBondContact O-CB 3.38Å; T1034-L1037 PolarHBondContact O-N 3.35Å; T1034-L1037 VanDerWaalsContact O-N 3.08Å; I1035-L1037 VanDerWaalsContact C-N 3.27Å; I1035-L1037 PolarHBondContact O-N 3.38Å; L1037-N1041 PolarHBondContact O-N 3.31Å; L1037-N1041 VanDerWaalsContact O-N 3.16Å; L1037-N1041 PolarHBondContact O-ND2 3.24Å |
| 1038 | E | 73.9 | Confident | 74.5 | Confident | 124 Ų | 124 | 96.4 Ų | 96.4 | 58% | 0.579 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67.4 | -38.8 | 172.9 | -68.4 | -170.8 | 148.5 | 0 | 0 | 112.9 | T1034 I1035 N1041 S1042 | T1034-E1038 PolarHBondContact O-N 2.96Å; T1034-E1038 VanDerWaalsContact O-N 3.07Å; I1035-E1038 PolarHBondContact O-N 2.99Å; E1038-N1041 PolarHBondContact O-N 3.33Å; E1038-S1042 WeakPolarHBondContact O-CB 3.4Å; E1038-S1042 PolarHBondContact O-N 3.35Å; E1038-S1042 PolarHBondContact O-OG 3.48Å |
| 1039 | A | 75.3 | Confident | 74 | Confident | 56 Ų | 56 | 101.7 Ų | 101.7 | 46% | 0.463 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1035 S1042 R1043 | I1035-A1039 WeakPolarHBondContact O-CB 3.35Å; I1035-A1039 PolarHBondContact O-N 3.1Å; A1039-S1042 PolarHBondContact O-N 2.71Å; A1039-R1043 WeakPolarHBondContact O-CB 3.47Å; A1039-R1043 PolarHBondContact O-N 2.76Å |
| 1040 | E | 76.1 | Confident | 73.3 | Confident | 74 Ų | 74 | 102.3 Ų | 102.3 | 35% | 0.346 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.6 | -36.2 | 177.6 | 177.7 | 58.1 | -164.6 | 0 | 0 | 112.5 | L1036 R1043 K1044 | L1036-E1040 PolarHBondContact O-N 3.17Å; L1036-E1040 VanDerWaalsContact O-N 3.17Å; E1040-R1043 VanDerWaalsContact CD-NH2 3.3Å; E1040-R1043 PolarHBondContact O-N 3.35Å; E1040-R1043 IonicContact OE1-CZ 2.66Å; E1040-R1043 IonicContact OE1-NE 3.32Å; E1040-R1043 IonicContact OE1-NH2 2.65Å; E1040-R1043 PolarHBondContact OE1-NH2 3.17Å; E1040-R1043 IonicContact OE2-CZ 3.62Å; E1040-R1043 IonicContact OE2-NE 2.8Å; E1040-R1043 PolarHBondContact OE2-NE 3.34Å; E1040-R1043 IonicContact OE2-NH2 3.13Å; E1040-R1043 PolarHBondContact OE2-NH2 2.98Å; E1040-R1043 VanDerWaalsContact OE2-NH2 3.1Å; E1040-K1044 PolarHBondContact O-N 3.41Å |
| 1041 | N | 77.9 | Confident | 72.8 | Confident | 89 Ų | 89 | 107.4 Ų | 107.4 | 48% | 0.476 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.1 | -43.8 | 173.4 | -75.1 | -29 | 0 | 0 | 0 | 111.9 | L1037 E1038 R1043 K1044 A1045 | L1037-N1041 PolarHBondContact O-N 3.31Å; L1037-N1041 VanDerWaalsContact O-N 3.16Å; L1037-N1041 PolarHBondContact O-ND2 3.24Å; E1038-N1041 PolarHBondContact O-N 3.33Å; N1041-R1043 VanDerWaalsContact C-N 3.29Å; N1041-R1043 PolarHBondContact O-N 3.03Å; N1041-K1044 PolarHBondContact O-N 3.36Å; N1041-A1045 PolarHBondContact O-N 3.48Å; N1041-A1045 VanDerWaalsContact O-N 3.12Å |
| 1042 | S | 72 | Confident | 72 | Confident | 75 Ų | 75 | 105.7 Ų | 105.7 | 52% | 0.524 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59 | -40.2 | 174.2 | -67.4 | 0 | 0 | 0 | 0 | 112.2 | E1038 A1039 A1045 T1046 | E1038-S1042 WeakPolarHBondContact O-CB 3.4Å; E1038-S1042 PolarHBondContact O-N 3.35Å; E1038-S1042 PolarHBondContact O-OG 3.48Å; A1039-S1042 PolarHBondContact O-N 2.71Å; S1042-A1045 PolarHBondContact O-N 3.01Å; S1042-T1046 PolarHBondContact O-N 3.44Å; S1042-T1046 PolarHBondContact O-OG1 3.24Å |
| 1043 | R | 73.8 | Confident | 71.1 | Confident | 113 Ų | 113 | 105 Ų | 105 | 43% | 0.426 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 176.3 | -166.8 | -176.8 | 69.4 | 70.5 | 1.4 | 112.4 | A1039 E1040 N1041 T1046 Q1047 | A1039-R1043 WeakPolarHBondContact O-CB 3.47Å; A1039-R1043 PolarHBondContact O-N 2.76Å; E1040-R1043 VanDerWaalsContact CD-NH2 3.3Å; E1040-R1043 PolarHBondContact O-N 3.35Å; E1040-R1043 IonicContact OE1-CZ 2.66Å; E1040-R1043 IonicContact OE1-NE 3.32Å; E1040-R1043 IonicContact OE1-NH2 2.65Å; E1040-R1043 PolarHBondContact OE1-NH2 3.17Å; E1040-R1043 IonicContact OE2-CZ 3.62Å; E1040-R1043 IonicContact OE2-NE 2.8Å; E1040-R1043 PolarHBondContact OE2-NE 3.34Å; E1040-R1043 IonicContact OE2-NH2 3.13Å; E1040-R1043 PolarHBondContact OE2-NH2 2.98Å; E1040-R1043 VanDerWaalsContact OE2-NH2 3.1Å; N1041-R1043 VanDerWaalsContact C-N 3.29Å; N1041-R1043 PolarHBondContact O-N 3.03Å; R1043-T1046 PolarHBondContact O-N 3.49Å; R1043-T1046 PolarHBondContact O-OG1 3.02Å; R1043-Q1047 WeakPolarHBondContact O-CG 3.48Å; R1043-Q1047 PolarHBondContact O-N 2.92Å |
| 1044 | K | 72.5 | Confident | 70 | Confident | 118 Ų | 118 | 100.6 Ų | 100.6 | 51% | 0.513 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.6 | -41 | 174.4 | -73.7 | 174.8 | -178.7 | 168.7 | 0 | 111.9 | E1040 N1041 T1046 Q1047 E1048 | E1040-K1044 PolarHBondContact O-N 3.41Å; N1041-K1044 PolarHBondContact O-N 3.36Å; K1044-T1046 VanDerWaalsContact C-N 3.35Å; K1044-T1046 PolarHBondContact O-N 3.07Å; K1044-Q1047 PolarHBondContact O-N 3.38Å; K1044-E1048 PolarHBondContact O-N 3.17Å |
| 1045 | A | 74.1 | Confident | 69 | Low | 55 Ų | 55 | 100.3 Ų | 100.3 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.4 | -36.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | N1041 S1042 R1049 | N1041-A1045 PolarHBondContact O-N 3.48Å; N1041-A1045 VanDerWaalsContact O-N 3.12Å; S1042-A1045 PolarHBondContact O-N 3.01Å; A1045-R1049 PolarHBondContact O-N 3.16Å |
| 1046 | T | 70.6 | Confident | 68.2 | Low | 73 Ų | 73 | 98.8 Ų | 98.8 | 45% | 0.448 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -73 | -35.1 | 176.3 | 55.2 | 0 | 0 | 0 | 0 | 112.9 | S1042 R1043 K1044 E1048 R1049 L1050 | S1042-T1046 PolarHBondContact O-N 3.44Å; S1042-T1046 PolarHBondContact O-OG1 3.24Å; R1043-T1046 PolarHBondContact O-N 3.49Å; R1043-T1046 PolarHBondContact O-OG1 3.02Å; K1044-T1046 VanDerWaalsContact C-N 3.35Å; K1044-T1046 PolarHBondContact O-N 3.07Å; T1046-E1048 VanDerWaalsContact C-N 3.34Å; T1046-E1048 PolarHBondContact O-N 3.4Å; T1046-R1049 PolarHBondContact O-N 3.48Å; T1046-L1050 PolarHBondContact O-N 3.3Å |
| 1047 | Q | 70.7 | Confident | 67.1 | Low | 108 Ų | 108 | 100.2 Ų | 100.2 | 51% | 0.505 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.6 | -40.6 | 172.9 | -73.4 | -172 | -68.4 | 0 | 0 | 112.2 | R1043 K1044 L1050 R1051 | R1043-Q1047 WeakPolarHBondContact O-CG 3.48Å; R1043-Q1047 PolarHBondContact O-N 2.92Å; K1044-Q1047 PolarHBondContact O-N 3.38Å; Q1047-L1050 PolarHBondContact O-N 3.5Å; Q1047-R1051 PolarHBondContact O-N 3.06Å |
| 1048 | E | 68.4 | Low | 65.6 | Low | 90 Ų | 90 | 100.3 Ų | 100.3 | 42% | 0.421 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69.6 | -36.6 | 177.8 | -167.5 | 59.9 | -165.2 | 0 | 0 | 112.3 | K1044 T1046 L1050 R1051 C1052 | K1044-E1048 PolarHBondContact O-N 3.17Å; T1046-E1048 VanDerWaalsContact C-N 3.34Å; T1046-E1048 PolarHBondContact O-N 3.4Å; E1048-L1050 PolarHBondContact O-N 3.48Å; E1048-R1051 VanDerWaalsContact CD-NE 3.33Å; E1048-R1051 WeakPolarHBondContact O-CB 3.36Å; E1048-R1051 PolarHBondContact O-N 3.23Å; E1048-R1051 IonicContact OE1-CZ 3.23Å; E1048-R1051 VanDerWaalsContact OE1-CZ 3.23Å; E1048-R1051 IonicContact OE1-NE 2.96Å; E1048-R1051 PolarHBondContact OE1-NE 3.12Å; E1048-R1051 IonicContact OE1-NH2 2.67Å; E1048-R1051 PolarHBondContact OE1-NH2 3.24Å; E1048-R1051 IonicContact OE2-CZ 3.92Å; E1048-R1051 IonicContact OE2-NE 2.99Å; E1048-R1051 PolarHBondContact OE2-NE 3.21Å; E1048-R1051 IonicContact OE2-NH2 4Å; E1048-C1052 PolarHBondContact O-N 3.31Å; E1048-C1052 VanDerWaalsContact O-N 3.1Å |
| 1049 | R | 65.7 | Low | 64 | Low | 184 Ų | 184 | 98.1 Ų | 98.1 | 69% | 0.694 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61.4 | -41.9 | 171.7 | -74.7 | 178.9 | 177.5 | 169 | 0.8 | 112.4 | A1045 T1046 R1051 C1052 I1053 | A1045-R1049 PolarHBondContact O-N 3.16Å; T1046-R1049 PolarHBondContact O-N 3.48Å; R1049-R1051 VanDerWaalsContact C-N 3.3Å; R1049-R1051 PolarHBondContact O-N 3.26Å; R1049-C1052 PolarHBondContact O-N 3.33Å; R1049-I1053 WeakPolarHBondContact O-CG1 3.34Å; R1049-I1053 PolarHBondContact O-N 3.46Å |
| 1050 | L | 62.6 | Low | 62.3 | Low | 115 Ų | 115 | 101.5 Ų | 101.5 | 60% | 0.602 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.9 | -36.4 | 174.5 | -78.4 | 165.1 | 0 | 0 | 0 | 112.1 | T1046 Q1047 E1048 I1053 S1054 | T1046-L1050 PolarHBondContact O-N 3.3Å; Q1047-L1050 PolarHBondContact O-N 3.5Å; E1048-L1050 PolarHBondContact O-N 3.48Å; L1050-I1053 PolarHBondContact O-N 3.13Å; L1050-S1054 PolarHBondContact O-N 3.39Å |
| 1051 | R | 65 | Low | 60.3 | Low | 168 Ų | 168 | 105.7 Ų | 105.7 | 63% | 0.634 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -61.3 | -43.7 | 174.4 | -159.4 | 175.1 | 76.3 | 90.5 | 1.3 | 111.7 | Q1047 E1048 R1049 S1054 A1055 | Q1047-R1051 PolarHBondContact O-N 3.06Å; E1048-R1051 VanDerWaalsContact CD-NE 3.33Å; E1048-R1051 WeakPolarHBondContact O-CB 3.36Å; E1048-R1051 PolarHBondContact O-N 3.23Å; E1048-R1051 IonicContact OE1-CZ 3.23Å; E1048-R1051 VanDerWaalsContact OE1-CZ 3.23Å; E1048-R1051 IonicContact OE1-NE 2.96Å; E1048-R1051 PolarHBondContact OE1-NE 3.12Å; E1048-R1051 IonicContact OE1-NH2 2.67Å; E1048-R1051 PolarHBondContact OE1-NH2 3.24Å; E1048-R1051 IonicContact OE2-CZ 3.92Å; E1048-R1051 IonicContact OE2-NE 2.99Å; E1048-R1051 PolarHBondContact OE2-NE 3.21Å; E1048-R1051 IonicContact OE2-NH2 4Å; R1049-R1051 VanDerWaalsContact C-N 3.3Å; R1049-R1051 PolarHBondContact O-N 3.26Å; R1051-S1054 PolarHBondContact O-N 3.1Å; R1051-A1055 PolarHBondContact O-N 2.99Å |
| 1052 | C | 59.5 | Low | 58.2 | Low | 75 Ų | 75 | 107 Ų | 107 | 51% | 0.507 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66.4 | -39 | 175.7 | -66.7 | 0 | 0 | 0 | 0 | 113.3 | E1048 R1049 A1055 A1056 | E1048-C1052 PolarHBondContact O-N 3.31Å; E1048-C1052 VanDerWaalsContact O-N 3.1Å; R1049-C1052 PolarHBondContact O-N 3.33Å; C1052-A1055 PolarHBondContact O-N 3.03Å; C1052-A1056 PolarHBondContact O-N 3.28Å |
| 1053 | I | 57.5 | Low | 56.5 | Low | 97 Ų | 97 | 108.3 Ų | 108.3 | 50% | 0.497 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -66.4 | -39.5 | 177.6 | -67.8 | 164.5 | 0 | 0 | 0 | 111.1 | R1049 L1050 A1055 A1056 L1057 | R1049-I1053 WeakPolarHBondContact O-CG1 3.34Å; R1049-I1053 PolarHBondContact O-N 3.46Å; L1050-I1053 PolarHBondContact O-N 3.13Å; I1053-A1055 VanDerWaalsContact C-N 3.29Å; I1053-A1055 PolarHBondContact O-N 3.2Å; I1053-A1056 PolarHBondContact O-N 3.29Å; I1053-A1056 VanDerWaalsContact O-N 3.13Å; I1053-L1057 HydrophobicContact CG2-CD1 4.07Å; I1053-L1057 PolarHBondContact O-N 2.67Å |
| 1054 | S | 55.6 | Low | 54.7 | Low | 84 Ų | 84 | 111.8 Ų | 111.8 | 59% | 0.587 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -60.4 | -37.7 | 175.1 | -168.3 | 0 | 0 | 0 | 0 | 112.4 | L1050 R1051 A1056 | L1050-S1054 PolarHBondContact O-N 3.39Å; R1051-S1054 PolarHBondContact O-N 3.1Å; S1054-A1056 PolarHBondContact O-N 3.19Å |
| 1055 | A | 55.2 | Low | 53 | Low | 77 Ų | 77 | 114.2 Ų | 114.2 | 64% | 0.636 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -69.1 | -29.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | R1051 C1052 I1053 | R1051-A1055 PolarHBondContact O-N 2.99Å; C1052-A1055 PolarHBondContact O-N 3.03Å; I1053-A1055 VanDerWaalsContact C-N 3.29Å; I1053-A1055 PolarHBondContact O-N 3.2Å |
| 1056 | A | 55.2 | Low | 51 | Low | 71 Ų | 71 | 120.9 Ų | 120.9 | 59% | 0.587 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -80.1 | -26 | -177 | 0 | 0 | 0 | 0 | 0 | 114.1 | C1052 I1053 S1054 C1058 | C1052-A1056 PolarHBondContact O-N 3.28Å; I1053-A1056 PolarHBondContact O-N 3.29Å; I1053-A1056 VanDerWaalsContact O-N 3.13Å; S1054-A1056 PolarHBondContact O-N 3.19Å; A1056-C1058 VanDerWaalsContact C-N 3.27Å; A1056-C1058 PolarHBondContact O-N 2.96Å |
| 1057 | L | 51.5 | Low | 49.4 | Very low | 144 Ų | 144 | 124.4 Ų | 124.4 | 75% | 0.754 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -5.8 | -176 | -81.4 | 162.1 | 0 | 0 | 0 | 114.9 | I1053 | I1053-L1057 HydrophobicContact CG2-CD1 4.07Å; I1053-L1057 PolarHBondContact O-N 2.67Å |
| 1058 | C | 45.2 | Very low | 47.5 | Very low | 117 Ų | 117 | 126.9 Ų | 126.9 | 79% | 0.791 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.5 | 17.9 | 178.9 | -71.5 | 0 | 0 | 0 | 0 | 114.4 | A1056 | A1056-C1058 VanDerWaalsContact C-N 3.27Å; A1056-C1058 PolarHBondContact O-N 2.96Å |
| 1059 | A | 40.1 | Very low | 45.9 | Very low | 77 Ų | 77 | 128.3 Ų | 128.3 | 64% | 0.636 | 71% | 0.714 | S | S | * | * | trans | -113.3 | 123.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1060 | P | 38.4 | Very low | 44.3 | Very low | 128 Ų | 128 | 125.9 Ų | 125.9 | 83% | 0.831 | 71% | 0.713 | S | S | * | * | trans | -79.3 | 129.7 | 180 | 29.8 | -33 | 0 | 0 | 0 | 113.7 | ||||
| 1061 | I | 35.7 | Very low | 42.7 | Very low | 162 Ų | 162 | 127.4 Ų | 127.4 | 83% | 0.831 | 72% | 0.722 | S | S | * | * | trans | -23.5 | 123.7 | 171.4 | -55.8 | 161.8 | 0 | 0 | 0 | 116 | ||||
| 1062 | S | 33.6 | Very low | 41.4 | Very low | 115 Ų | 115 | 130.1 Ų | 130.1 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | trans | -132 | 124.5 | 153.8 | -176.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1063 | P | 35.7 | Very low | 40.5 | Very low | 104 Ų | 104 | 132.9 Ų | 132.9 | 68% | 0.675 | 77% | 0.77 | S | S | * | * | trans | -105.3 | 97.8 | -164.4 | 36.8 | -31.8 | 0 | 0 | 0 | 114 | ||||
| 1064 | H | 36.1 | Very low | 39.6 | Very low | 185 Ų | 185 | 134.7 Ų | 134.7 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | trans | -164.9 | 108.4 | 151 | -108.7 | 43 | 0 | 0 | 0 | 110.9 | ||||
| 1065 | N | 36 | Very low | 38.7 | Very low | 169 Ų | 169 | 137.6 Ų | 137.6 | 90% | 0.904 | 80% | 0.795 | S | S | * | * | trans | 177.4 | 98 | 142.7 | -91.6 | -17.2 | 0 | 0 | 0 | 109.7 | ||||
| 1066 | K | 32.3 | Very low | 37.7 | Very low | 196 Ų | 196 | 141.1 Ų | 141.1 | 85% | 0.852 | 80% | 0.804 | S | S | * | * | trans | -81.5 | 166 | 156.2 | -70.3 | 178.2 | 174.4 | 177.4 | 0 | 108.3 | ||||
| 1067 | I | 37 | Very low | 36.6 | Very low | 146 Ų | 146 | 145.5 Ų | 145.5 | 75% | 0.749 | 82% | 0.818 | S | S | * | * | trans | 112.5 | 109.4 | 154.3 | -60.1 | 164.8 | 0 | 0 | 0 | 115.9 | ||||
| 1068 | Q | 32.2 | Very low | 35.6 | Very low | 161 Ų | 161 | 145.6 Ų | 145.6 | 75% | 0.752 | 82% | 0.822 | S | S | * | * | trans | 57.8 | 117.4 | 145.7 | -65.7 | 165.6 | -25.3 | 0 | 0 | 122.1 | ||||
| 1069 | C | 34.6 | Very low | 34.9 | Very low | 119 Ų | 119 | 147.6 Ų | 147.6 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | 171.5 | 120.4 | 111.1 | -87.2 | 0 | 0 | 0 | 0 | 107.1 | |||||
| 1070 | I | 32 | Very low | 34.5 | Very low | 134 Ų | 134 | 153.1 Ų | 153.1 | 69% | 0.687 | 84% | 0.839 | S | S | * | * | 75.4 | 110 | 54.8 | -60.8 | 171.6 | 0 | 0 | 0 | 112.9 | |||||
| 1071 | N | 29 | Very low | 34.2 | Very low | 147 Ų | 147 | 155.2 Ų | 155.2 | 79% | 0.786 | 84% | 0.84 | S | S | * | * | trans | 50.8 | 99.4 | 158.7 | -60.8 | -3.2 | 0 | 0 | 0 | 120 | ||||
| 1072 | T | 36.4 | Very low | 34.1 | Very low | 224 Ų | 224 | 154.5 Ų | 154.5 | 100% | 1.374 | 84% | 0.84 | S | S | * | * | -152.1 | 0 | 108.3 | 16.8 | 0 | 0 | 0 | 0 | 110.9 |
Retrieved 1,072 of 1,072 residues in 1164.8 ms
(Link to these results)