| 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 | 49.4 | Very low | 81.9 | Confident | 202 Ų | 202 | 93.5 Ų | 93.5 | 100% | 0.995 | 50% | 0.5 | S | S | * | . | 0 | 121.8 | 0 | -71.5 | -171.7 | -157.8 | 0 | 0 | 105.3 | T3 | M1-T3 PolarHBondContact O-N 3.05Š| |||
| 2 | E | 59.7 | Low | 82.7 | Confident | 145 Ų | 145 | 87.3 Ų | 87.3 | 68% | 0.678 | 47% | 0.467 | S | S | * | . | trans | -63.1 | 121.1 | -178.3 | -73.3 | 165.5 | -179.5 | 0 | 0 | 109.4 | I5 | E2-I5 HydrophobicContact CB-CG1 4.5Š| ||
| 3 | T | 79.6 | Confident | 83.4 | Confident | 69 Ų | 69 | 86.4 Ų | 86.4 | 42% | 0.423 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -80.5 | -12 | 170.4 | 46.2 | 0 | 0 | 0 | 0 | 111.1 | M1 I24 T25 V26 | M1-T3 PolarHBondContact O-N 3.05Å; T3-I24 CarbonylContact O-C 3.6Å; T3-I24 WeakPolarHBondContact O-CA 3.23Å; T3-I24 VanDerWaalsContact O-CG1 3.27Å; T3-I24 WeakPolarHBondContact O-CG1 3.03Å; T3-T25 PolarHBondContact O-N 3.49Å; T3-T25 PolarHBondContact O-OG1 3.48Å; T3-T25 VanDerWaalsContact O-OG1 3.07Å; T3-V26 PolarHBondContact O-N 2.86Å; T3-V26 VanDerWaalsContact O-N 3.12Å |
| 4 | E | 86.5 | Confident | 83.9 | Confident | 112 Ų | 112 | 84.2 Ų | 84.2 | 52% | 0.523 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 124.3 | -176.1 | -52.4 | -173.8 | 168.3 | 0 | 0 | 108.2 | V26 | E4-V26 CarbonylContact C-O 3.57Å; E4-V26 WeakPolarHBondContact CA-O 3.46Å; E4-V26 HydrophobicContact CB-CB 3.93Å; E4-V26 HydrophobicContact CG-CB 3.8Å; E4-V26 HydrophobicContact CG-CG2 3.84Å |
| 5 | I | 87.8 | Confident | 84.4 | Confident | 31 Ų | 31 | 78.7 Ų | 78.7 | 16% | 0.159 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 121.8 | 178.7 | -60.9 | -175.9 | 0 | 0 | 0 | 108.4 | E2 L7 L20 I24 V26 L27 N28 | E2-I5 HydrophobicContact CB-CG1 4.5Å; I5-L7 HydrophobicContact CG2-CD1 3.77Å; I5-L7 HydrophobicContact CG2-CG 3.75Å; I5-L20 HydrophobicContact CD1-CD2 3.89Å; I5-I24 HydrophobicContact CB-CD1 3.78Å; I5-I24 HydrophobicContact CD1-CD1 3.64Å; I5-I24 HydrophobicContact CG1-CD1 3.59Å; I5-I24 HydrophobicContact CG1-CG1 4.36Å; I5-V26 PolarHBondContact N-O 2.71Å; I5-L27 HydrophobicContact CB-CD1 4.04Å; I5-L27 HydrophobicContact CG2-CD1 4.14Å; I5-L27 CarbonylContact O-C 3.39Å; I5-L27 WeakPolarHBondContact O-CA 3.3Å; I5-N28 PolarHBondContact O-N 3.45Å |
| 6 | E | 88.7 | Confident | 84.7 | Confident | 128 Ų | 128 | 81.3 Ų | 81.3 | 60% | 0.598 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118 | 109.7 | 175 | -57.4 | -173.1 | 162.7 | 0 | 0 | 109.4 | N28 | E6-N28 HydrophobicContact CB-CB 4.31Å; E6-N28 HydrophobicContact CG-CB 4.05Å |
| 7 | L | 88.7 | Confident | 84.8 | Confident | 51 Ų | 51 | 86 Ų | 86 | 27% | 0.267 | 44% | 0.437 | S | S | . | . | trans | -125.1 | 63.5 | 178.3 | -61.1 | 169.2 | 0 | 0 | 0 | 109.3 | I5 I12 L18 N28 L29 N32 | I5-L7 HydrophobicContact CG2-CD1 3.77Å; I5-L7 HydrophobicContact CG2-CG 3.75Å; L7-I12 HydrophobicContact CB-CD1 3.56Å; L7-I12 HydrophobicContact CD1-CD1 3.77Å; L7-I12 HydrophobicContact CG-CD1 4.29Å; L7-L18 HydrophobicContact CD1-CD1 4.19Å; L7-L18 HydrophobicContact CD1-CD2 3.81Å; L7-N28 PolarHBondContact N-O 3.43Å; L7-L29 HydrophobicContact CB-CD2 3.84Å; L7-L29 HydrophobicContact CD1-CD2 4.29Å; L7-N32 PolarHBondContact O-ND2 2.82Å | ||
| 8 | I | 89.4 | Confident | 84.8 | Confident | 80 Ų | 80 | 84.1 Ų | 84.1 | 41% | 0.41 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | 133.2 | 179.8 | -56.7 | 175.3 | 0 | 0 | 0 | 109 | S10 H30 | I8-S10 PolarHBondContact O-N 2.82Å; I8-S10 VanDerWaalsContact O-N 3.13Å; I8-S10 PolarHBondContact O-OG 3.37Å; I8-H30 WeakPolarHBondContact CA-O 3.44Å; I8-H30 HydrophobicContact CG1-CB 4.32Å; I8-H30 HydrophobicContact CG2-CB 4.23Å |
| 9 | N | 91.9 | Very high | 84.7 | Confident | 102 Ų | 102 | 86.5 Ų | 86.5 | 55% | 0.545 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.7 | 44.4 | 176.1 | -166.4 | 23.7 | 0 | 0 | 0 | 114.4 | H30 H31 | N9-H30 PolarHBondContact N-O 2.88Å; N9-H31 WeakPolarHBondContact CA-O 3.4Å; N9-H31 HydrophobicContact CB-CB 4.28Å; N9-H31 PolarHBondContact OD1-O 3.38Å |
| 10 | S | 89.9 | Confident | 84.8 | Confident | 67 Ų | 67 | 82.7 Ų | 82.7 | 47% | 0.469 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -98.3 | 9.8 | -176.9 | -64.5 | 0 | 0 | 0 | 0 | 112.8 | I8 I12 N32 | I8-S10 PolarHBondContact O-N 2.82Å; I8-S10 VanDerWaalsContact O-N 3.13Å; I8-S10 PolarHBondContact O-OG 3.37Å; S10-I12 VanDerWaalsContact C-N 3.27Å; S10-I12 PolarHBondContact O-N 3.48Å; S10-N32 PolarHBondContact N-OD1 3.33Å |
| 11 | G | 89.6 | Confident | 84.8 | Confident | 42 Ų | 42 | 80.1 Ų | 80.1 | 43% | 0.433 | 41% | 0.412 | S | S | . | . | trans | 67.7 | 24.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D13 N32 | G11-D13 PolarHBondContact O-N 2.6Å; G11-N32 PolarHBondContact N-OD1 3.26Å; G11-N32 VanDerWaalsContact N-OD1 3.14Å | ||
| 12 | I | 91.5 | Very high | 86.5 | Confident | 19 Ų | 19 | 73 Ų | 73 | 10% | 0.097 | 38% | 0.381 | C | S | . | . | trans | -73.8 | 124.8 | -177.7 | -62.4 | 161.8 | 0 | 0 | 0 | 109.3 | L7 S10 L18 L29 N32 H33 I34 | L7-I12 HydrophobicContact CB-CD1 3.56Å; L7-I12 HydrophobicContact CD1-CD1 3.77Å; L7-I12 HydrophobicContact CG-CD1 4.29Å; S10-I12 VanDerWaalsContact C-N 3.27Å; S10-I12 PolarHBondContact O-N 3.48Å; I12-L18 HydrophobicContact CD1-CD1 4.16Å; I12-L18 HydrophobicContact CD1-CD2 3.84Å; I12-L18 HydrophobicContact CG1-CD2 4.2Å; I12-L18 HydrophobicContact CG2-CD1 4.37Å; I12-L18 HydrophobicContact CG2-CD2 4.4Å; I12-L18 HydrophobicContact CG2-CG 4.45Å; I12-L29 HydrophobicContact CD1-CD2 3.81Å; I12-N32 HydrophobicContact CB-CB 4.17Å; I12-N32 PolarHBondContact N-OD1 3.29Å; I12-N32 WeakPolarHBondContact O-CB 3.37Å; I12-H33 CarbonylContact O-C 3.46Å; I12-H33 WeakPolarHBondContact O-CA 3.1Å; I12-H33 PolarHBondContact O-N 3.3Å; I12-I34 HydrophobicContact CG2-CD1 4.36Å; I12-I34 HydrophobicContact CG2-CG1 4.19Å; I12-I34 WeakPolarHBondContact O-CG1 3.03Å; I12-I34 PolarHBondContact O-N 3.39Å | ||
| 13 | D | 91.9 | Very high | 87.7 | Confident | 75 Ų | 75 | 73 Ų | 73 | 40% | 0.401 | 38% | 0.379 | S | S | . | . | trans | -100.1 | -23.6 | 176.8 | 60 | -6 | 0 | 0 | 0 | 112.8 | G11 R17 H33 | G11-D13 PolarHBondContact O-N 2.6Å; D13-R17 IonicContact OD1-CZ 3.76Å; D13-R17 IonicContact OD1-NH1 2.9Å; D13-R17 PolarHBondContact OD1-NH1 2.8Å; D13-R17 IonicContact OD2-CZ 2.68Å; D13-R17 IonicContact OD2-NH1 2.75Å; D13-R17 PolarHBondContact OD2-NH1 3.44Å; D13-H33 HydrophobicContact CB-CB 4.48Å | ||
| 14 | N | 90.4 | Very high | 88.2 | Confident | 56 Ų | 56 | 69.7 Ų | 69.7 | 30% | 0.299 | 36% | 0.359 | S | S | . | . | trans | -148.9 | 118 | -174.1 | -166.9 | -28.9 | 0 | 0 | 0 | 113 | K16 R17 | N14-K16 VanDerWaalsContact C-N 3.26Å; N14-K16 PolarHBondContact O-N 2.8Å; N14-K16 WeakPolarHBondContact OD1-CB 3.04Å; N14-K16 PolarHBondContact OD1-N 2.77Å; N14-R17 HydrophobicContact CB-CG 4.48Å; N14-R17 PolarHBondContact O-N 2.78Å | ||
| 15 | I | 91 | Very high | 88.4 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -62.6 | -30.1 | -177.7 | -51.8 | 171.8 | 0 | 0 | 0 | 112 | R17 L18 L20 L29 I34 I37 N38 L40 L51 | I15-R17 PolarHBondContact O-N 2.91Å; I15-R17 VanDerWaalsContact O-N 3.08Å; I15-L18 HydrophobicContact CG2-CD1 4.37Å; I15-L18 WeakPolarHBondContact O-CB 3.28Å; I15-L18 PolarHBondContact O-N 2.71Å; I15-L20 HydrophobicContact CG2-CD1 3.69Å; I15-L29 HydrophobicContact CD1-CD1 4.1Å; I15-L29 HydrophobicContact CG1-CD1 3.81Å; I15-L29 HydrophobicContact CG2-CD1 4.23Å; I15-I34 HydrophobicContact CD1-CD1 4.22Å; I15-I34 HydrophobicContact CD1-CG2 4.13Å; I15-I34 HydrophobicContact CG1-CD1 3.76Å; I15-I34 HydrophobicContact CG1-CG1 4.28Å; I15-I34 HydrophobicContact CG1-CG2 4.06Å; I15-I37 HydrophobicContact CD1-CG2 4.48Å; I15-N38 CarbonylContact C-O 3.55Å; I15-N38 VanDerWaalsContact CB-O 3.29Å; I15-N38 WeakPolarHBondContact CB-O 3.11Å; I15-L40 HydrophobicContact CG2-CD2 3.77Å; I15-L40 HydrophobicContact CG2-CG 4.2Å; I15-L51 HydrophobicContact CD1-CD1 4.44Å; I15-L51 HydrophobicContact CD1-CD2 3.71Å |
| 16 | K | 88.8 | Confident | 88.6 | Confident | 121 Ų | 121 | 65.9 Ų | 65.9 | 53% | 0.526 | 35% | 0.345 | S | S | . | . | G | 310 helix | trans | -55.4 | -30.3 | 177.5 | -74.7 | 176.8 | 174.3 | 158.4 | 0 | 112.7 | N14 L18 N38 G39 | N14-K16 VanDerWaalsContact C-N 3.26Å; N14-K16 PolarHBondContact O-N 2.8Å; N14-K16 WeakPolarHBondContact OD1-CB 3.04Å; N14-K16 PolarHBondContact OD1-N 2.77Å; K16-L18 VanDerWaalsContact C-N 3.32Å; K16-L18 PolarHBondContact O-N 3.06Å; K16-N38 HydrophobicContact CD-CB 4.19Å; K16-N38 HydrophobicContact CG-CB 4.26Å; K16-N38 WeakPolarHBondContact CG-O 2.87Å; K16-N38 PolarHBondContact N-O 3.3Å; K16-N38 VanDerWaalsContact N-O 3.13Å; K16-G39 VanDerWaalsContact CG-CA 3.46Å |
| 17 | R | 87.1 | Confident | 88.8 | Confident | 161 Ų | 161 | 59.8 Ų | 59.8 | 61% | 0.608 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -74.3 | -19.4 | -177.9 | -67.5 | -179.4 | 175 | 159.6 | -3.6 | 113.5 | D13 N14 I15 N19 | D13-R17 IonicContact OD1-CZ 3.76Å; D13-R17 IonicContact OD1-NH1 2.9Å; D13-R17 PolarHBondContact OD1-NH1 2.8Å; D13-R17 IonicContact OD2-CZ 2.68Å; D13-R17 IonicContact OD2-NH1 2.75Å; D13-R17 PolarHBondContact OD2-NH1 3.44Å; N14-R17 HydrophobicContact CB-CG 4.48Å; N14-R17 PolarHBondContact O-N 2.78Å; I15-R17 PolarHBondContact O-N 2.91Å; I15-R17 VanDerWaalsContact O-N 3.08Å; R17-N19 PolarHBondContact O-N 3.12Å |
| 18 | L | 85 | Confident | 89.1 | Confident | 52 Ų | 52 | 58.1 Ų | 58.1 | 27% | 0.272 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -73.4 | -14.4 | -177.9 | -60.6 | 177.9 | 0 | 0 | 0 | 113.5 | L7 I12 I15 K16 L20 L29 | L7-L18 HydrophobicContact CD1-CD1 4.19Å; L7-L18 HydrophobicContact CD1-CD2 3.81Å; I12-L18 HydrophobicContact CD1-CD1 4.16Å; I12-L18 HydrophobicContact CD1-CD2 3.84Å; I12-L18 HydrophobicContact CG1-CD2 4.2Å; I12-L18 HydrophobicContact CG2-CD1 4.37Å; I12-L18 HydrophobicContact CG2-CD2 4.4Å; I12-L18 HydrophobicContact CG2-CG 4.45Å; I15-L18 HydrophobicContact CG2-CD1 4.37Å; I15-L18 WeakPolarHBondContact O-CB 3.28Å; I15-L18 PolarHBondContact O-N 2.71Å; K16-L18 VanDerWaalsContact C-N 3.32Å; K16-L18 PolarHBondContact O-N 3.06Å; L18-L20 VanDerWaalsContact C-N 3.33Å; L18-L20 HydrophobicContact CB-CD2 3.89Å; L18-L20 HydrophobicContact CB-CG 3.96Å; L18-L20 HydrophobicContact CD1-CD2 4.29Å; L18-L20 PolarHBondContact O-N 3.45Å; L18-L29 HydrophobicContact CD1-CD1 3.97Å; L18-L29 HydrophobicContact CD1-CD2 3.79Å |
| 19 | N | 83.3 | Confident | 89.3 | Confident | 129 Ų | 129 | 54.3 Ų | 54.3 | 69% | 0.69 | 29% | 0.288 | S | S | * | . | trans | 44.9 | 55 | -177.9 | -163.4 | 17.2 | 0 | 0 | 0 | 112.9 | R17 | R17-N19 PolarHBondContact O-N 3.12Š| ||
| 20 | L | 86 | Confident | 89.4 | Confident | 11 Ų | 11 | 52.2 Ų | 52.2 | 6% | 0.058 | 28% | 0.275 | C | S | . | . | trans | -61.8 | 140.3 | -172.2 | -61.6 | 165 | 0 | 0 | 0 | 112 | I5 I15 L18 I24 L27 L40 T43 | I5-L20 HydrophobicContact CD1-CD2 3.89Å; I15-L20 HydrophobicContact CG2-CD1 3.69Å; L18-L20 VanDerWaalsContact C-N 3.33Å; L18-L20 HydrophobicContact CB-CD2 3.89Å; L18-L20 HydrophobicContact CB-CG 3.96Å; L18-L20 HydrophobicContact CD1-CD2 4.29Å; L18-L20 PolarHBondContact O-N 3.45Å; L20-I24 HydrophobicContact CD2-CD1 4.23Å; L20-L27 HydrophobicContact CD1-CD2 3.57Å; L20-L27 HydrophobicContact CD2-CD1 3.93Å; L20-L27 HydrophobicContact CD2-CD2 4.38Å; L20-L40 HydrophobicContact CD1-CD2 3.49Å; L20-L40 VanDerWaalsContact CD1-CD2 3.49Å; L20-T43 HydrophobicContact CB-CG2 3.52Å; L20-T43 HydrophobicContact CD1-CG2 4.09Å; L20-T43 HydrophobicContact CG-CG2 4.46Å | ||
| 21 | S | 84.7 | Confident | 89.6 | Confident | 29 Ų | 29 | 53.3 Ų | 53.3 | 20% | 0.203 | 27% | 0.272 | C | S | . | . | trans | -70.5 | 143.5 | 178.2 | 92.3 | 0 | 0 | 0 | 0 | 110.7 | K23 I24 | S21-K23 PolarHBondContact O-N 3.33Å; S21-K23 VanDerWaalsContact O-N 3.12Å; S21-K23 PolarHBondContact OG-N 3.35Å; S21-I24 WeakPolarHBondContact O-CG2 3.4Å; S21-I24 PolarHBondContact O-N 3.42Å | ||
| 22 | P | 85.6 | Confident | 89.9 | Confident | 53 Ų | 53 | 51.4 Ų | 51.4 | 34% | 0.344 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -14.5 | 178.6 | 24.8 | -33 | 0 | 0 | 0 | 113.8 | R42 F45 | P22-R42 VanDerWaalsContact CA-O 3.28Å; P22-R42 WeakPolarHBondContact CA-O 3.11Å; P22-R42 VanDerWaalsContact CB-O 3.26Å; P22-R42 WeakPolarHBondContact CB-O 3.49Å; P22-F45 WeakPolarHBondContact O-CD2 3.19Å |
| 23 | K | 85.4 | Confident | 90.1 | Very high | 143 Ų | 143 | 54.7 Ų | 54.7 | 62% | 0.622 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93 | 1.4 | -178.4 | -65.5 | -172.2 | 176.6 | -173.3 | 0 | 114 | S21 | S21-K23 PolarHBondContact O-N 3.33Å; S21-K23 VanDerWaalsContact O-N 3.12Å; S21-K23 PolarHBondContact OG-N 3.35Å |
| 24 | I | 90.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -65.3 | 135.6 | 179.4 | -165.6 | 177.9 | 0 | 0 | 0 | 110.9 | T3 I5 L20 S21 V26 L27 T43 F45 L46 | T3-I24 CarbonylContact O-C 3.6Å; T3-I24 WeakPolarHBondContact O-CA 3.23Å; T3-I24 VanDerWaalsContact O-CG1 3.27Å; T3-I24 WeakPolarHBondContact O-CG1 3.03Å; I5-I24 HydrophobicContact CB-CD1 3.78Å; I5-I24 HydrophobicContact CD1-CD1 3.64Å; I5-I24 HydrophobicContact CG1-CD1 3.59Å; I5-I24 HydrophobicContact CG1-CG1 4.36Å; L20-I24 HydrophobicContact CD2-CD1 4.23Å; S21-I24 WeakPolarHBondContact O-CG2 3.4Å; S21-I24 PolarHBondContact O-N 3.42Å; I24-V26 WeakPolarHBondContact CD1-O 3.26Å; I24-V26 WeakPolarHBondContact CG1-O 3.43Å; I24-L27 HydrophobicContact CD1-CB 3.98Å; I24-L27 HydrophobicContact CD1-CD1 4.02Å; I24-L27 HydrophobicContact CD1-CG 4.48Å; I24-T43 HydrophobicContact CG2-CG2 3.48Å; I24-T43 VanDerWaalsContact CG2-CG2 3.48Å; I24-F45 CarbonylContact O-C 3.21Å; I24-F45 VanDerWaalsContact O-C 3.31Å; I24-L46 HydrophobicContact CD1-CD1 4.46Å; I24-L46 HydrophobicContact CG1-CD1 4.19Å; I24-L46 HydrophobicContact CG2-CD1 3.91Å; I24-L46 WeakPolarHBondContact O-CA 3.24Å; I24-L46 PolarHBondContact O-N 3.46Å | ||
| 25 | T | 89.4 | Confident | 90.5 | Very high | 37 Ų | 37 | 51.3 Ų | 51.3 | 23% | 0.227 | 25% | 0.253 | C | S | . | . | trans | -112 | -28.7 | 178.6 | 52.1 | 0 | 0 | 0 | 0 | 112.3 | T3 R47 Y48 | T3-T25 PolarHBondContact O-N 3.49Å; T3-T25 PolarHBondContact O-OG1 3.48Å; T3-T25 VanDerWaalsContact O-OG1 3.07Å; T25-R47 WeakPolarHBondContact O-CA 3.47Å; T25-R47 PolarHBondContact O-N 2.63Å; T25-Y48 PolarHBondContact O-N 2.79Å | ||
| 26 | V | 92.1 | Very high | 90.6 | Very high | 27 Ų | 27 | 56.3 Ų | 56.3 | 16% | 0.164 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 126.4 | 179.6 | -178.4 | 0 | 0 | 0 | 0 | 109.2 | T3 E4 I5 I24 Y48 | T3-V26 PolarHBondContact O-N 2.86Å; T3-V26 VanDerWaalsContact O-N 3.12Å; E4-V26 CarbonylContact C-O 3.57Å; E4-V26 WeakPolarHBondContact CA-O 3.46Å; E4-V26 HydrophobicContact CB-CB 3.93Å; E4-V26 HydrophobicContact CG-CB 3.8Å; E4-V26 HydrophobicContact CG-CG2 3.84Å; I5-V26 PolarHBondContact N-O 2.71Å; I24-V26 WeakPolarHBondContact CD1-O 3.26Å; I24-V26 WeakPolarHBondContact CG1-O 3.43Å; V26-Y48 WeakPolarHBondContact CA-O 3.42Å; V26-Y48 HydrophobicContact CG1-CD1 3.67Å; V26-Y48 HydrophobicContact CG1-CE1 4.45Å; V26-Y48 HydrophobicContact CG1-CG 4.2Å |
| 27 | L | 93.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 111.8 | 175.7 | 179.5 | 60.1 | 0 | 0 | 0 | 109.2 | I5 L20 I24 L29 L40 L46 Y48 L49 D50 | I5-L27 HydrophobicContact CB-CD1 4.04Å; I5-L27 HydrophobicContact CG2-CD1 4.14Å; I5-L27 CarbonylContact O-C 3.39Å; I5-L27 WeakPolarHBondContact O-CA 3.3Å; L20-L27 HydrophobicContact CD1-CD2 3.57Å; L20-L27 HydrophobicContact CD2-CD1 3.93Å; L20-L27 HydrophobicContact CD2-CD2 4.38Å; I24-L27 HydrophobicContact CD1-CB 3.98Å; I24-L27 HydrophobicContact CD1-CD1 4.02Å; I24-L27 HydrophobicContact CD1-CG 4.48Å; L27-L29 HydrophobicContact CD1-CD1 4.14Å; L27-L29 HydrophobicContact CD1-CD2 3.99Å; L27-L29 HydrophobicContact CD1-CG 3.88Å; L27-L29 HydrophobicContact CD2-CD1 4Å; L27-L29 HydrophobicContact CD2-CG 4.46Å; L27-L29 HydrophobicContact CG-CD1 4.04Å; L27-L29 HydrophobicContact CG-CG 3.95Å; L27-L40 HydrophobicContact CD2-CD2 3.62Å; L27-L46 HydrophobicContact CB-CD1 3.6Å; L27-L46 HydrophobicContact CB-CD2 4.23Å; L27-Y48 PolarHBondContact N-O 2.81Å; L27-L49 HydrophobicContact CB-CD1 4.1Å; L27-L49 HydrophobicContact CD2-CD1 3.87Å; L27-L49 HydrophobicContact CG-CD1 4.03Å; L27-L49 WeakPolarHBondContact O-CA 3.15Å; L27-D50 PolarHBondContact O-N 3.23Å |
| 28 | N | 93.6 | Very high | 90.9 | Very high | 16 Ų | 16 | 44.9 Ų | 44.9 | 9% | 0.086 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 113 | 176 | -171.7 | -17.8 | 0 | 0 | 0 | 110.2 | I5 E6 L7 H30 D50 | I5-N28 PolarHBondContact O-N 3.45Å; E6-N28 HydrophobicContact CB-CB 4.31Å; E6-N28 HydrophobicContact CG-CB 4.05Å; L7-N28 PolarHBondContact N-O 3.43Å; N28-H30 VanDerWaalsContact OD1-CB 3.24Å; N28-H30 WeakPolarHBondContact OD1-CB 2.97Å; N28-H30 PolarHBondContact OD1-N 2.72Å; N28-D50 HydrophobicContact CB-CB 4.36Å |
| 29 | L | 94.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -122.2 | 31.6 | 179 | -61.3 | 179 | 0 | 0 | 0 | 110.9 | L7 I12 I15 L18 L27 N32 I34 D50 L51 N54 | L7-L29 HydrophobicContact CB-CD2 3.84Å; L7-L29 HydrophobicContact CD1-CD2 4.29Å; I12-L29 HydrophobicContact CD1-CD2 3.81Å; I15-L29 HydrophobicContact CD1-CD1 4.1Å; I15-L29 HydrophobicContact CG1-CD1 3.81Å; I15-L29 HydrophobicContact CG2-CD1 4.23Å; L18-L29 HydrophobicContact CD1-CD1 3.97Å; L18-L29 HydrophobicContact CD1-CD2 3.79Å; L27-L29 HydrophobicContact CD1-CD1 4.14Å; L27-L29 HydrophobicContact CD1-CD2 3.99Å; L27-L29 HydrophobicContact CD1-CG 3.88Å; L27-L29 HydrophobicContact CD2-CD1 4Å; L27-L29 HydrophobicContact CD2-CG 4.46Å; L27-L29 HydrophobicContact CG-CD1 4.04Å; L27-L29 HydrophobicContact CG-CG 3.95Å; L29-N32 VanDerWaalsContact C-ND2 3.26Å; L29-N32 PolarHBondContact O-ND2 3.36Å; L29-I34 HydrophobicContact CB-CD1 3.85Å; L29-I34 HydrophobicContact CD1-CD1 3.82Å; L29-I34 HydrophobicContact CG-CD1 4.42Å; L29-D50 CarbonylContact C-O 3.52Å; L29-D50 WeakPolarHBondContact CA-O 3.46Å; L29-D50 PolarHBondContact N-O 3.34Å; L29-L51 HydrophobicContact CB-CD2 3.95Å; L29-L51 HydrophobicContact CD1-CD2 4.01Å; L29-N54 PolarHBondContact O-ND2 3.45Å | ||
| 30 | H | 94.8 | Very high | 91.4 | Very high | 57 Ų | 57 | 37.4 Ų | 37.4 | 26% | 0.264 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 140.9 | 176.2 | 176.6 | 69.7 | 0 | 0 | 0 | 112.3 | I8 N9 N28 N32 S52 S53 | I8-H30 WeakPolarHBondContact CA-O 3.44Å; I8-H30 HydrophobicContact CG1-CB 4.32Å; I8-H30 HydrophobicContact CG2-CB 4.23Å; N9-H30 PolarHBondContact N-O 2.88Å; N28-H30 VanDerWaalsContact OD1-CB 3.24Å; N28-H30 WeakPolarHBondContact OD1-CB 2.97Å; N28-H30 PolarHBondContact OD1-N 2.72Å; H30-N32 PolarHBondContact O-N 2.75Å; H30-N32 PolarHBondContact O-ND2 2.75Å; H30-S52 WeakPolarHBondContact CA-O 3.46Å; H30-S52 PolarHBondContact ND1-O 3Å; H30-S52 PolarHBondContact ND1-OG 3.11Å; H30-S53 PolarHBondContact CE1-OG 2.76Å |
| 31 | H | 94.4 | Very high | 91.4 | Very high | 90 Ų | 90 | 40.7 Ų | 40.7 | 42% | 0.417 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 44.2 | 171.7 | -155.6 | -48 | 0 | 0 | 0 | 114.5 | N9 S52 S53 | N9-H31 WeakPolarHBondContact CA-O 3.4Å; N9-H31 HydrophobicContact CB-CB 4.28Å; N9-H31 PolarHBondContact OD1-O 3.38Å; H31-S52 PolarHBondContact N-O 3.3Å; H31-S53 VanDerWaalsContact CA-O 3.27Å; H31-S53 WeakPolarHBondContact CA-O 3.2Å |
| 32 | N | 95.5 | Very high | 91.5 | Very high | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.011 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -108 | -164.1 | 176 | -79 | -70.9 | 0 | 0 | 0 | 111.4 | L7 S10 G11 I12 L29 H30 I34 N54 | L7-N32 PolarHBondContact O-ND2 2.82Å; S10-N32 PolarHBondContact N-OD1 3.33Å; G11-N32 PolarHBondContact N-OD1 3.26Å; G11-N32 VanDerWaalsContact N-OD1 3.14Å; I12-N32 HydrophobicContact CB-CB 4.17Å; I12-N32 PolarHBondContact N-OD1 3.29Å; I12-N32 WeakPolarHBondContact O-CB 3.37Å; L29-N32 VanDerWaalsContact C-ND2 3.26Å; L29-N32 PolarHBondContact O-ND2 3.36Å; H30-N32 PolarHBondContact O-N 2.75Å; H30-N32 PolarHBondContact O-ND2 2.75Å; N32-I34 HydrophobicContact CB-CD1 4.17Å; N32-I34 HydrophobicContact CB-CG1 4.15Å; N32-N54 VanDerWaalsContact CA-OD1 3.23Å; N32-N54 WeakPolarHBondContact CA-OD1 3.03Å; N32-N54 WeakPolarHBondContact CB-OD1 3.16Å; N32-N54 PolarHBondContact N-OD1 2.77Å; N32-N54 PolarHBondContact O-OD1 3.33Å |
| 33 | H | 95.5 | Very high | 91.8 | Very high | 88 Ų | 88 | 43.7 Ų | 43.7 | 41% | 0.407 | 22% | 0.22 | S | C | . | . | trans | -111.8 | 27.4 | 179.2 | -57.4 | -38.4 | 0 | 0 | 0 | 112.1 | I12 D13 S35 N54 Y55 | I12-H33 CarbonylContact O-C 3.46Å; I12-H33 WeakPolarHBondContact O-CA 3.1Å; I12-H33 PolarHBondContact O-N 3.3Å; D13-H33 HydrophobicContact CB-CB 4.48Å; H33-S35 PolarHBondContact O-N 3.2Å; H33-N54 PolarHBondContact N-OD1 3.48Å; H33-Y55 HydrophobicContact CB-CD2 4.28Å; H33-Y55 HydrophobicContact CB-CE2 4.11Å; H33-Y55 AromaticContact ND1-CE2 3.54Å | ||
| 34 | I | 96.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -72.4 | 120.7 | -175 | -58.7 | 164.3 | 0 | 0 | 0 | 109.2 | I12 I15 L29 N32 E36 L51 N54 Y55 I56 | I12-I34 HydrophobicContact CG2-CD1 4.36Å; I12-I34 HydrophobicContact CG2-CG1 4.19Å; I12-I34 WeakPolarHBondContact O-CG1 3.03Å; I12-I34 PolarHBondContact O-N 3.39Å; I15-I34 HydrophobicContact CD1-CD1 4.22Å; I15-I34 HydrophobicContact CD1-CG2 4.13Å; I15-I34 HydrophobicContact CG1-CD1 3.76Å; I15-I34 HydrophobicContact CG1-CG1 4.28Å; I15-I34 HydrophobicContact CG1-CG2 4.06Å; L29-I34 HydrophobicContact CB-CD1 3.85Å; L29-I34 HydrophobicContact CD1-CD1 3.82Å; L29-I34 HydrophobicContact CG-CD1 4.42Å; N32-I34 HydrophobicContact CB-CD1 4.17Å; N32-I34 HydrophobicContact CB-CG1 4.15Å; I34-E36 VanDerWaalsContact CG2-O 3.3Å; I34-E36 WeakPolarHBondContact CG2-O 3.32Å; I34-L51 HydrophobicContact CD1-CD2 3.7Å; I34-N54 HydrophobicContact CB-CB 4.26Å; I34-N54 VanDerWaalsContact CB-OD1 3.32Å; I34-N54 WeakPolarHBondContact CB-OD1 3.47Å; I34-N54 WeakPolarHBondContact CG1-OD1 3.46Å; I34-N54 PolarHBondContact N-OD1 2.92Å; I34-Y55 CarbonylContact O-C 3.58Å; I34-Y55 WeakPolarHBondContact O-CA 3.32Å; I34-Y55 PolarHBondContact O-N 2.83Å; I34-I56 HydrophobicContact CG2-CD1 4.48Å; I34-I56 HydrophobicContact CG2-CG1 4.28Å; I34-I56 PolarHBondContact O-N 3.37Å | ||
| 35 | S | 93.8 | Very high | 91.8 | Very high | 60 Ų | 60 | 44.7 Ų | 44.7 | 42% | 0.42 | 23% | 0.229 | S | C | . | . | trans | -98.2 | -21 | 176.3 | 59.5 | 0 | 0 | 0 | 0 | 113.7 | H33 I56 | H33-S35 PolarHBondContact O-N 3.2Å; S35-I56 WeakPolarHBondContact O-CA 3.36Å | ||
| 36 | E | 93.1 | Very high | 92 | Very high | 107 Ų | 107 | 42.9 Ų | 42.9 | 50% | 0.5 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -141.6 | 138.3 | -177.8 | -65.6 | -175.4 | 179.4 | 0 | 0 | 111.7 | I34 N38 | I34-E36 VanDerWaalsContact CG2-O 3.3Å; I34-E36 WeakPolarHBondContact CG2-O 3.32Å; E36-N38 PolarHBondContact O-N 3.12Å; E36-N38 PolarHBondContact OE2-ND2 3.42Å |
| 37 | I | 93.7 | Very high | 92 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -85 | 99.4 | 176.5 | -52.9 | 176.3 | 0 | 0 | 0 | 108.4 | I15 L40 L51 I56 C60 L62 L73 | I15-I37 HydrophobicContact CD1-CG2 4.48Å; I37-L40 HydrophobicContact CG2-CD1 3.88Å; I37-L51 HydrophobicContact CD1-CD1 3.93Å; I37-L51 HydrophobicContact CG1-CD1 3.94Å; I37-L51 HydrophobicContact CG2-CD1 4.24Å; I37-I56 HydrophobicContact CD1-CD1 4.12Å; I37-I56 HydrophobicContact CD1-CG2 4.14Å; I37-I56 HydrophobicContact CG1-CD1 3.73Å; I37-I56 HydrophobicContact CG1-CG1 4.24Å; I37-I56 HydrophobicContact CG1-CG2 4.02Å; I37-C60 WeakPolarHBondContact CB-O 3.38Å; I37-C60 WeakPolarHBondContact CG2-O 3.26Å; I37-C60 CarbonylContact O-C 3.56Å; I37-L62 HydrophobicContact CG2-CD2 3.68Å; I37-L62 HydrophobicContact CG2-CG 4.23Å; I37-L73 HydrophobicContact CD1-CD2 3.79Å | ||
| 38 | N | 89.5 | Confident | 92 | Very high | 42 Ų | 42 | 49.4 Ų | 49.4 | 23% | 0.225 | 24% | 0.24 | C | C | . | . | trans | -147.3 | 133.2 | -170.6 | -103.1 | -38.3 | 0 | 0 | 0 | 109.6 | I15 K16 E36 | I15-N38 CarbonylContact C-O 3.55Å; I15-N38 VanDerWaalsContact CB-O 3.29Å; I15-N38 WeakPolarHBondContact CB-O 3.11Å; K16-N38 HydrophobicContact CD-CB 4.19Å; K16-N38 HydrophobicContact CG-CB 4.26Å; K16-N38 WeakPolarHBondContact CG-O 2.87Å; K16-N38 PolarHBondContact N-O 3.3Å; K16-N38 VanDerWaalsContact N-O 3.13Å; E36-N38 PolarHBondContact O-N 3.12Å; E36-N38 PolarHBondContact OE2-ND2 3.42Å | ||
| 39 | G | 87.4 | Confident | 92.1 | Very high | 23 Ų | 23 | 48.6 Ų | 48.6 | 24% | 0.237 | 24% | 0.236 | C | C | . | . | S | Bend | trans | 104.4 | 6.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | K16 T41 | K16-G39 VanDerWaalsContact CG-CA 3.46Å; G39-T41 VanDerWaalsContact C-N 3.32Å |
| 40 | L | 90.7 | Very high | 92.1 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | trans | -89.8 | 9.2 | 174.2 | -61 | 178 | 0 | 0 | 0 | 113.4 | I15 L20 L27 I37 R42 T43 L49 L62 L65 | I15-L40 HydrophobicContact CG2-CD2 3.77Å; I15-L40 HydrophobicContact CG2-CG 4.2Å; L20-L40 HydrophobicContact CD1-CD2 3.49Å; L20-L40 VanDerWaalsContact CD1-CD2 3.49Å; L27-L40 HydrophobicContact CD2-CD2 3.62Å; I37-L40 HydrophobicContact CG2-CD1 3.88Å; L40-R42 PolarHBondContact O-N 3.26Å; L40-R42 VanDerWaalsContact O-N 3.13Å; L40-T43 WeakPolarHBondContact CA-OG1 3.28Å; L40-T43 PolarHBondContact O-N 3.36Å; L40-T43 VanDerWaalsContact O-N 3.17Å; L40-T43 PolarHBondContact O-OG1 3.4Å; L40-L49 HydrophobicContact CD1-CD1 4.36Å; L40-L49 HydrophobicContact CD1-CD2 3.57Å; L40-L62 HydrophobicContact CD1-CD2 4.03Å; L40-L65 HydrophobicContact CB-CD1 4.29Å; L40-L65 HydrophobicContact CB-CD2 4.27Å; L40-L65 HydrophobicContact CD1-CD1 4.04Å | ||
| 41 | T | 86.7 | Confident | 92.2 | Very high | 79 Ų | 79 | 46.4 Ų | 46.4 | 49% | 0.485 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -26.5 | -174.4 | 51.2 | 0 | 0 | 0 | 0 | 114 | G39 N64 | G39-T41 VanDerWaalsContact C-N 3.32Å; T41-N64 PolarHBondContact O-ND2 3.36Å; T41-N64 VanDerWaalsContact O-ND2 3.12Å |
| 42 | R | 86.4 | Confident | 92.3 | Very high | 145 Ų | 145 | 42.3 Ų | 42.3 | 55% | 0.547 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -16.6 | 179.7 | -63.3 | -179.7 | 69 | -156 | 2.6 | 113.7 | P22 L40 T44 | P22-R42 VanDerWaalsContact CA-O 3.28Å; P22-R42 WeakPolarHBondContact CA-O 3.11Å; P22-R42 VanDerWaalsContact CB-O 3.26Å; P22-R42 WeakPolarHBondContact CB-O 3.49Å; L40-R42 PolarHBondContact O-N 3.26Å; L40-R42 VanDerWaalsContact O-N 3.13Å; R42-T44 PolarHBondContact O-N 2.77Å |
| 43 | T | 90.3 | Very high | 92.4 | Very high | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.006 | 22% | 0.22 | C | C | . | . | trans | -86.9 | 52.5 | -172.9 | 57.4 | 0 | 0 | 0 | 0 | 111.2 | L20 I24 L40 F45 L46 L65 | L20-T43 HydrophobicContact CB-CG2 3.52Å; L20-T43 HydrophobicContact CD1-CG2 4.09Å; L20-T43 HydrophobicContact CG-CG2 4.46Å; I24-T43 HydrophobicContact CG2-CG2 3.48Å; I24-T43 VanDerWaalsContact CG2-CG2 3.48Å; L40-T43 WeakPolarHBondContact CA-OG1 3.28Å; L40-T43 PolarHBondContact O-N 3.36Å; L40-T43 VanDerWaalsContact O-N 3.17Å; L40-T43 PolarHBondContact O-OG1 3.4Å; T43-F45 PolarHBondContact O-N 3.47Å; T43-F45 VanDerWaalsContact O-N 3.17Å; T43-L46 VanDerWaalsContact O-CB 3.31Å; T43-L46 WeakPolarHBondContact O-CB 3.48Å; T43-L46 PolarHBondContact O-N 2.74Å; T43-L46 VanDerWaalsContact O-N 3.16Å; T43-L65 WeakPolarHBondContact O-CD2 3.49Å | ||
| 44 | T | 87.8 | Confident | 92.5 | Very high | 51 Ų | 51 | 40.1 Ų | 40.1 | 31% | 0.313 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -23.7 | -170 | 54.8 | 0 | 0 | 0 | 0 | 113.8 | R42 L46 N64 H67 | R42-T44 PolarHBondContact O-N 2.77Å; T44-L46 VanDerWaalsContact C-N 3.35Å; T44-N64 HydrophobicContact CG2-CB 4.38Å; T44-H67 PolarHBondContact O-CD2 3.37Å; T44-H67 VanDerWaalsContact O-CD2 3.28Å |
| 45 | F | 89.8 | Confident | 92.5 | Very high | 112 Ų | 112 | 45.7 Ų | 45.7 | 49% | 0.491 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 6.8 | -179.9 | -66.8 | -77.9 | 0 | 0 | 0 | 114.3 | P22 I24 T43 R47 | P22-F45 WeakPolarHBondContact O-CD2 3.19Å; I24-F45 CarbonylContact O-C 3.21Å; I24-F45 VanDerWaalsContact O-C 3.31Å; T43-F45 PolarHBondContact O-N 3.47Å; T43-F45 VanDerWaalsContact O-N 3.17Å; F45-R47 PolarHBondContact O-N 2.77Å |
| 46 | L | 92.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -63.5 | 124.6 | 179.9 | -162.8 | 72.8 | 0 | 0 | 0 | 110.3 | I24 L27 T43 T44 L49 L65 H67 L68 | I24-L46 HydrophobicContact CD1-CD1 4.46Å; I24-L46 HydrophobicContact CG1-CD1 4.19Å; I24-L46 HydrophobicContact CG2-CD1 3.91Å; I24-L46 WeakPolarHBondContact O-CA 3.24Å; I24-L46 PolarHBondContact O-N 3.46Å; L27-L46 HydrophobicContact CB-CD1 3.6Å; L27-L46 HydrophobicContact CB-CD2 4.23Å; T43-L46 VanDerWaalsContact O-CB 3.31Å; T43-L46 WeakPolarHBondContact O-CB 3.48Å; T43-L46 PolarHBondContact O-N 2.74Å; T43-L46 VanDerWaalsContact O-N 3.16Å; T44-L46 VanDerWaalsContact C-N 3.35Å; L46-L49 HydrophobicContact CD2-CB 3.81Å; L46-L49 HydrophobicContact CD2-CD1 4.06Å; L46-L49 HydrophobicContact CD2-CD2 4.15Å; L46-L49 HydrophobicContact CD2-CG 4.23Å; L46-L65 HydrophobicContact CB-CD2 4.28Å; L46-L65 HydrophobicContact CD2-CD1 4.22Å; L46-H67 CarbonylContact O-C 3Å; L46-L68 HydrophobicContact CB-CD1 4.46Å; L46-L68 HydrophobicContact CD2-CD1 4.15Å; L46-L68 HydrophobicContact CG-CD1 4.13Å; L46-L68 WeakPolarHBondContact O-CA 3.29Å; L46-L68 PolarHBondContact O-N 3.23Å; L46-L68 VanDerWaalsContact O-N 3.08Å | ||
| 47 | R | 91.7 | Very high | 92.7 | Very high | 88 Ų | 88 | 41.8 Ų | 41.8 | 33% | 0.332 | 21% | 0.205 | S | C | . | . | trans | -105.7 | -32.4 | 178.8 | -64.8 | 177.7 | 80.4 | 165.7 | 3.3 | 111.8 | T25 F45 R69 V70 E198 | T25-R47 WeakPolarHBondContact O-CA 3.47Å; T25-R47 PolarHBondContact O-N 2.63Å; F45-R47 PolarHBondContact O-N 2.77Å; R47-R69 VanDerWaalsContact NH2-NH1 3.18Å; R47-R69 WeakPolarHBondContact O-CA 3.19Å; R47-R69 WeakPolarHBondContact O-CB 3.35Å; R47-R69 PolarHBondContact O-N 2.81Å; R47-V70 PolarHBondContact O-N 2.98Å; R47-E198 IonicContact CZ-OE1 2.92Å; R47-E198 IonicContact NH1-OE1 2.88Å; R47-E198 PolarHBondContact NH1-OE1 3.21Å; R47-E198 IonicContact NH2-OE1 3.25Å; R47-E198 PolarHBondContact NH2-OE1 3.5Å | ||
| 48 | Y | 93.8 | Very high | 92.7 | Very high | 75 Ų | 75 | 48.9 Ų | 48.9 | 29% | 0.294 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 124.5 | 179.3 | -179.1 | -83.1 | 0 | 0 | 0 | 110 | T25 V26 L27 D50 V70 | T25-Y48 PolarHBondContact O-N 2.79Å; V26-Y48 WeakPolarHBondContact CA-O 3.42Å; V26-Y48 HydrophobicContact CG1-CD1 3.67Å; V26-Y48 HydrophobicContact CG1-CE1 4.45Å; V26-Y48 HydrophobicContact CG1-CG 4.2Å; L27-Y48 PolarHBondContact N-O 2.81Å; Y48-D50 HydrophobicContact CE1-CB 3.62Å; Y48-D50 PolarHBondContact OH-OD2 3.16Å; Y48-V70 HydrophobicContact CD2-CB 3.64Å; Y48-V70 HydrophobicContact CD2-CG1 3.78Å; Y48-V70 HydrophobicContact CD2-CG2 4.2Å; Y48-V70 HydrophobicContact CE2-CB 4.14Å; Y48-V70 HydrophobicContact CE2-CG1 3.74Å; Y48-V70 HydrophobicContact CG-CB 4.47Å |
| 49 | L | 95.3 | Very high | 93 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 114.1 | 175.8 | 178.7 | 55 | 0 | 0 | 0 | 109.5 | L27 L40 L46 L51 L62 L65 L68 V70 L71 N72 | L27-L49 HydrophobicContact CB-CD1 4.1Å; L27-L49 HydrophobicContact CD2-CD1 3.87Å; L27-L49 HydrophobicContact CG-CD1 4.03Å; L27-L49 WeakPolarHBondContact O-CA 3.15Å; L40-L49 HydrophobicContact CD1-CD1 4.36Å; L40-L49 HydrophobicContact CD1-CD2 3.57Å; L46-L49 HydrophobicContact CD2-CB 3.81Å; L46-L49 HydrophobicContact CD2-CD1 4.06Å; L46-L49 HydrophobicContact CD2-CD2 4.15Å; L46-L49 HydrophobicContact CD2-CG 4.23Å; L49-L51 HydrophobicContact CD1-CD1 3.95Å; L49-L51 HydrophobicContact CD1-CD2 4.46Å; L49-L51 HydrophobicContact CD1-CG 3.83Å; L49-L51 HydrophobicContact CD2-CD1 3.78Å; L49-L51 HydrophobicContact CG-CD1 3.83Å; L49-L51 HydrophobicContact CG-CG 4.03Å; L49-L62 HydrophobicContact CD2-CD2 3.68Å; L49-L65 HydrophobicContact CD2-CD1 4.19Å; L49-L68 HydrophobicContact CB-CD1 3.68Å; L49-L68 HydrophobicContact CB-CD2 4.43Å; L49-V70 PolarHBondContact N-O 2.82Å; L49-L71 HydrophobicContact CB-CD1 4.12Å; L49-L71 HydrophobicContact CD2-CD1 3.86Å; L49-L71 HydrophobicContact CG-CD1 3.98Å; L49-L71 WeakPolarHBondContact O-CA 3.38Å; L49-N72 PolarHBondContact O-N 3.49Å |
| 50 | D | 95.9 | Very high | 93.2 | Very high | 11 Ų | 11 | 47.3 Ų | 47.3 | 6% | 0.059 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 118.3 | 171.1 | -166.2 | -15.2 | 0 | 0 | 0 | 110.5 | L27 N28 L29 Y48 S52 N72 | L27-D50 PolarHBondContact O-N 3.23Å; N28-D50 HydrophobicContact CB-CB 4.36Å; L29-D50 CarbonylContact C-O 3.52Å; L29-D50 WeakPolarHBondContact CA-O 3.46Å; L29-D50 PolarHBondContact N-O 3.34Å; Y48-D50 HydrophobicContact CE1-CB 3.62Å; Y48-D50 PolarHBondContact OH-OD2 3.16Å; D50-S52 VanDerWaalsContact OD1-CB 3.24Å; D50-S52 WeakPolarHBondContact OD1-CB 3.29Å; D50-S52 PolarHBondContact OD1-N 3.49Å; D50-S52 PolarHBondContact OD1-OG 2.97Å; D50-N72 HydrophobicContact CB-CB 4.28Å; D50-N72 PolarHBondContact OD1-ND2 3.18Å; D50-N72 PolarHBondContact OD2-ND2 2.89Å |
| 51 | L | 96.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -126.7 | 21.4 | 177.9 | -74.7 | 167.8 | 0 | 0 | 0 | 110.6 | I15 L29 I34 I37 L49 N54 I56 N72 L73 N76 | I15-L51 HydrophobicContact CD1-CD1 4.44Å; I15-L51 HydrophobicContact CD1-CD2 3.71Å; L29-L51 HydrophobicContact CB-CD2 3.95Å; L29-L51 HydrophobicContact CD1-CD2 4.01Å; I34-L51 HydrophobicContact CD1-CD2 3.7Å; I37-L51 HydrophobicContact CD1-CD1 3.93Å; I37-L51 HydrophobicContact CG1-CD1 3.94Å; I37-L51 HydrophobicContact CG2-CD1 4.24Å; L49-L51 HydrophobicContact CD1-CD1 3.95Å; L49-L51 HydrophobicContact CD1-CD2 4.46Å; L49-L51 HydrophobicContact CD1-CG 3.83Å; L49-L51 HydrophobicContact CD2-CD1 3.78Å; L49-L51 HydrophobicContact CG-CD1 3.83Å; L49-L51 HydrophobicContact CG-CG 4.03Å; L51-N54 PolarHBondContact O-ND2 2.78Å; L51-I56 HydrophobicContact CB-CD1 3.82Å; L51-I56 HydrophobicContact CD1-CD1 4.13Å; L51-I56 HydrophobicContact CD2-CD1 4.38Å; L51-I56 HydrophobicContact CG-CD1 4.35Å; L51-N72 CarbonylContact C-O 3.21Å; L51-N72 WeakPolarHBondContact CA-O 3.45Å; L51-N72 PolarHBondContact N-O 3.14Å; L51-L73 HydrophobicContact CB-CD2 3.76Å; L51-L73 HydrophobicContact CD1-CD2 4.02Å; L51-N76 PolarHBondContact O-ND2 3.39Å | ||
| 52 | S | 96.2 | Very high | 93.5 | Very high | 4 Ų | 4 | 44 Ų | 44 | 3% | 0.028 | 20% | 0.201 | C | C | . | . | trans | -66.3 | 154.7 | -179 | 55.3 | 0 | 0 | 0 | 0 | 113 | H30 H31 D50 N54 N72 S74 | H30-S52 WeakPolarHBondContact CA-O 3.46Å; H30-S52 PolarHBondContact ND1-O 3Å; H30-S52 PolarHBondContact ND1-OG 3.11Å; H31-S52 PolarHBondContact N-O 3.3Å; D50-S52 VanDerWaalsContact OD1-CB 3.24Å; D50-S52 WeakPolarHBondContact OD1-CB 3.29Å; D50-S52 PolarHBondContact OD1-N 3.49Å; D50-S52 PolarHBondContact OD1-OG 2.97Å; S52-N54 PolarHBondContact O-N 3.39Å; S52-N54 PolarHBondContact O-ND2 3.24Å; S52-N72 PolarHBondContact N-O 3.06Å; S52-N72 PolarHBondContact OG-ND2 3.4Å; S52-S74 CarbonylContact C-O 3.44Å; S52-S74 WeakPolarHBondContact CA-O 3.46Å; S52-S74 WeakPolarHBondContact CB-O 3.4Å; S52-S74 WeakPolarHBondContact CB-OG 3.46Å | ||
| 53 | S | 97.3 | Very high | 93.6 | Very high | 38 Ų | 38 | 40.7 Ų | 40.7 | 27% | 0.266 | 19% | 0.192 | S | C | . | . | S | Bend | trans | 56.6 | 47.3 | -178.8 | -59.5 | 0 | 0 | 0 | 0 | 113.4 | H30 H31 S74 S75 | H30-S53 PolarHBondContact CE1-OG 2.76Å; H31-S53 VanDerWaalsContact CA-O 3.27Å; H31-S53 WeakPolarHBondContact CA-O 3.2Å; S53-S74 PolarHBondContact N-O 3.48Å; S53-S75 VanDerWaalsContact CA-O 3.25Å; S53-S75 WeakPolarHBondContact CA-O 3.49Å; S53-S75 PolarHBondContact N-O 3.41Å |
| 54 | N | 97.5 | Very high | 93.6 | Very high | 5 Ų | 5 | 44.2 Ų | 44.2 | 3% | 0.027 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -119.1 | -167 | 175.5 | -83.1 | -82.8 | 0 | 0 | 0 | 110.1 | L29 N32 H33 I34 L51 S52 I56 S75 N76 | L29-N54 PolarHBondContact O-ND2 3.45Å; N32-N54 VanDerWaalsContact CA-OD1 3.23Å; N32-N54 WeakPolarHBondContact CA-OD1 3.03Å; N32-N54 WeakPolarHBondContact CB-OD1 3.16Å; N32-N54 PolarHBondContact N-OD1 2.77Å; N32-N54 PolarHBondContact O-OD1 3.33Å; H33-N54 PolarHBondContact N-OD1 3.48Å; I34-N54 HydrophobicContact CB-CB 4.26Å; I34-N54 VanDerWaalsContact CB-OD1 3.32Å; I34-N54 WeakPolarHBondContact CB-OD1 3.47Å; I34-N54 WeakPolarHBondContact CG1-OD1 3.46Å; I34-N54 PolarHBondContact N-OD1 2.92Å; L51-N54 PolarHBondContact O-ND2 2.78Å; S52-N54 PolarHBondContact O-N 3.39Å; S52-N54 PolarHBondContact O-ND2 3.24Å; N54-I56 HydrophobicContact CB-CD1 4.29Å; N54-I56 HydrophobicContact CB-CG1 4.24Å; N54-S75 PolarHBondContact N-O 2.84Å; N54-N76 VanDerWaalsContact CA-OD1 3.3Å; N54-N76 WeakPolarHBondContact CA-OD1 3.5Å; N54-N76 WeakPolarHBondContact CB-OD1 3.44Å; N54-N76 PolarHBondContact N-OD1 3.4Å; N54-N76 PolarHBondContact O-OD1 2.72Å |
| 55 | Y | 96.4 | Very high | 93.9 | Very high | 118 Ų | 118 | 41.8 Ų | 41.8 | 46% | 0.463 | 20% | 0.196 | S | C | . | . | trans | -111.7 | 27.8 | 179.2 | -56.4 | -57.3 | 0 | 0 | 0 | 112.6 | H33 I34 T57 N76 | H33-Y55 HydrophobicContact CB-CD2 4.28Å; H33-Y55 HydrophobicContact CB-CE2 4.11Å; H33-Y55 AromaticContact ND1-CE2 3.54Å; I34-Y55 CarbonylContact O-C 3.58Å; I34-Y55 WeakPolarHBondContact O-CA 3.32Å; I34-Y55 PolarHBondContact O-N 2.83Å; Y55-T57 PolarHBondContact O-N 3.11Å; Y55-N76 PolarHBondContact N-OD1 2.88Å | ||
| 56 | I | 97.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -68.2 | 127.7 | -176.4 | -60.3 | 164.7 | 0 | 0 | 0 | 109.5 | 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 PolarHBondContact O-N 3.37Å; S35-I56 WeakPolarHBondContact O-CA 3.36Å; I37-I56 HydrophobicContact CD1-CD1 4.12Å; I37-I56 HydrophobicContact CD1-CG2 4.14Å; I37-I56 HydrophobicContact CG1-CD1 3.73Å; I37-I56 HydrophobicContact CG1-CG1 4.24Å; I37-I56 HydrophobicContact CG1-CG2 4.02Å; L51-I56 HydrophobicContact CB-CD1 3.82Å; L51-I56 HydrophobicContact CD1-CD1 4.13Å; L51-I56 HydrophobicContact CD2-CD1 4.38Å; L51-I56 HydrophobicContact CG-CD1 4.35Å; N54-I56 HydrophobicContact CB-CD1 4.29Å; N54-I56 HydrophobicContact CB-CG1 4.24Å; I56-R58 VanDerWaalsContact CG2-O 3.28Å; I56-R58 WeakPolarHBondContact CG2-O 3.33Å; I56-L73 HydrophobicContact CD1-CD2 3.81Å; I56-N76 HydrophobicContact CB-CB 4.24Å; I56-N76 VanDerWaalsContact CB-OD1 3.28Å; I56-N76 WeakPolarHBondContact CB-OD1 3.45Å; I56-N76 WeakPolarHBondContact CG1-OD1 3.4Å; I56-N76 PolarHBondContact N-OD1 2.82Å; I56-K77 CarbonylContact O-C 3.57Å; I56-K77 VanDerWaalsContact O-C 3.27Å; I56-K77 WeakPolarHBondContact O-CA 3.41Å; I56-K77 PolarHBondContact O-N 3.47Å; I56-I78 HydrophobicContact CG2-CD1 4.27Å; I56-I78 HydrophobicContact CG2-CG1 4.13Å; I56-I78 PolarHBondContact O-N 2.98Å | ||
| 57 | T | 94.6 | Very high | 93.8 | Very high | 85 Ų | 85 | 45.9 Ų | 45.9 | 52% | 0.521 | 22% | 0.216 | S | C | . | . | trans | -104.6 | -19.7 | -179.4 | 54.7 | 0 | 0 | 0 | 0 | 113.7 | Y55 K77 I78 | Y55-T57 PolarHBondContact O-N 3.11Å; T57-K77 WeakPolarHBondContact CA-O 3.27Å; T57-K77 HydrophobicContact CG2-CB 4.07Å; T57-I78 WeakPolarHBondContact O-CA 3.2Å | ||
| 58 | R | 94.1 | Very high | 93.9 | Very high | 148 Ų | 148 | 41.7 Ų | 41.7 | 56% | 0.558 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -149.7 | 146.5 | -178.7 | -174.2 | 175.6 | 176.9 | -164.8 | -2 | 111 | I56 D82 | I56-R58 VanDerWaalsContact CG2-O 3.28Å; I56-R58 WeakPolarHBondContact CG2-O 3.33Å; R58-D82 IonicContact CZ-OD2 2.93Å; R58-D82 VanDerWaalsContact CZ-OD2 3.25Å; R58-D82 IonicContact NE-OD1 3.83Å; R58-D82 IonicContact NE-OD2 3.75Å; R58-D82 PolarHBondContact NE-OD2 3.32Å; R58-D82 IonicContact NH2-OD2 2.72Å; R58-D82 PolarHBondContact NH2-OD2 3.17Å |
| 59 | I | 94.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -83.4 | 116.2 | 176.1 | -53.6 | 179.6 | 0 | 0 | 0 | 109 | L62 L73 I78 I81 D82 S83 L84 | I59-L62 HydrophobicContact CG2-CD1 3.61Å; I59-L62 HydrophobicContact CG2-CG 4.44Å; I59-L73 HydrophobicContact CD1-CD1 3.98Å; I59-L73 HydrophobicContact CG1-CD1 4.05Å; I59-I78 HydrophobicContact CD1-CD1 4.47Å; I59-I78 HydrophobicContact CD1-CG2 4.4Å; I59-I78 HydrophobicContact CG1-CD1 3.99Å; I59-I78 HydrophobicContact CG1-CG2 4.13Å; I59-I81 HydrophobicContact CD1-CG2 4.38Å; I59-D82 WeakPolarHBondContact CG2-O 3.37Å; I59-S83 WeakPolarHBondContact O-CB 3.23Å; I59-S83 PolarHBondContact O-OG 3.04Å; I59-L84 HydrophobicContact CD1-CD2 4.41Å; I59-L84 HydrophobicContact CG2-CD2 3.95Å | ||
| 60 | C | 91.9 | Very high | 93.7 | Very high | 33 Ų | 33 | 41.4 Ų | 41.4 | 22% | 0.223 | 20% | 0.201 | C | C | . | . | trans | -149.9 | 169.8 | 177.2 | 56.2 | 0 | 0 | 0 | 0 | 110.4 | I37 L62 | I37-C60 WeakPolarHBondContact CB-O 3.38Å; I37-C60 WeakPolarHBondContact CG2-O 3.26Å; I37-C60 CarbonylContact O-C 3.56Å; C60-L62 PolarHBondContact O-N 2.86Å; C60-L62 VanDerWaalsContact O-N 3.13Å | ||
| 61 | G | 90.6 | Very high | 93.7 | Very high | 9 Ų | 9 | 40.9 Ų | 40.9 | 9% | 0.093 | 20% | 0.198 | C | C | . | . | S | Bend | trans | 71.5 | 11.4 | 171 | 0 | 0 | 0 | 0 | 0 | 115.3 | E63 | G61-E63 WeakPolarHBondContact CA-OE2 3.47Å; G61-E63 PolarHBondContact N-OE1 3.48Å; G61-E63 PolarHBondContact N-OE2 3.14Å |
| 62 | L | 93.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -98.6 | 3.7 | 177.2 | -57.6 | -179.8 | 0 | 0 | 0 | 112.5 | I37 L40 L49 I59 C60 N64 L65 L71 L84 L87 | I37-L62 HydrophobicContact CG2-CD2 3.68Å; I37-L62 HydrophobicContact CG2-CG 4.23Å; L40-L62 HydrophobicContact CD1-CD2 4.03Å; L49-L62 HydrophobicContact CD2-CD2 3.68Å; I59-L62 HydrophobicContact CG2-CD1 3.61Å; I59-L62 HydrophobicContact CG2-CG 4.44Å; C60-L62 PolarHBondContact O-N 2.86Å; C60-L62 VanDerWaalsContact O-N 3.13Å; L62-N64 PolarHBondContact O-N 3.31Å; L62-N64 VanDerWaalsContact O-N 3.08Å; L62-L65 HydrophobicContact CB-CD1 4.31Å; L62-L65 HydrophobicContact CD2-CD1 3.53Å; L62-L65 PolarHBondContact O-N 3.43Å; L62-L71 HydrophobicContact CD1-CD1 4.4Å; L62-L71 HydrophobicContact CD1-CD2 3.6Å; L62-L84 HydrophobicContact CD1-CD2 4.4Å; L62-L87 HydrophobicContact CB-CD1 4.4Å; L62-L87 HydrophobicContact CB-CD2 4.37Å; L62-L87 HydrophobicContact CD1-CD1 4.24Å; L62-L87 WeakPolarHBondContact O-CD2 3.44Å | ||
| 63 | E | 88.6 | Confident | 93.8 | Very high | 77 Ų | 77 | 41.8 Ų | 41.8 | 36% | 0.36 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -26.1 | -164.5 | -54.7 | 81.6 | -174.6 | 0 | 0 | 113.7 | G61 N86 | G61-E63 WeakPolarHBondContact CA-OE2 3.47Å; G61-E63 PolarHBondContact N-OE1 3.48Å; G61-E63 PolarHBondContact N-OE2 3.14Å; E63-N86 VanDerWaalsContact O-CB 3.3Å; E63-N86 WeakPolarHBondContact O-CB 3.3Å; E63-N86 PolarHBondContact O-ND2 3.37Å |
| 64 | N | 90.5 | Very high | 93.7 | Very high | 75 Ų | 75 | 40.6 Ų | 40.6 | 40% | 0.401 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -1.3 | -178.4 | -68 | -16.6 | 0 | 0 | 0 | 113.8 | T41 T44 L62 Q66 | T41-N64 PolarHBondContact O-ND2 3.36Å; T41-N64 VanDerWaalsContact O-ND2 3.12Å; T44-N64 HydrophobicContact CG2-CB 4.38Å; L62-N64 PolarHBondContact O-N 3.31Å; L62-N64 VanDerWaalsContact O-N 3.08Å; N64-Q66 PolarHBondContact O-N 2.81Å |
| 65 | L | 93.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -87.6 | 53 | -174.1 | -53.3 | -176.2 | 0 | 0 | 0 | 111.9 | L40 T43 L46 L49 L62 H67 L68 L87 | L40-L65 HydrophobicContact CB-CD1 4.29Å; L40-L65 HydrophobicContact CB-CD2 4.27Å; L40-L65 HydrophobicContact CD1-CD1 4.04Å; T43-L65 WeakPolarHBondContact O-CD2 3.49Å; L46-L65 HydrophobicContact CB-CD2 4.28Å; L46-L65 HydrophobicContact CD2-CD1 4.22Å; L49-L65 HydrophobicContact CD2-CD1 4.19Å; L62-L65 HydrophobicContact CB-CD1 4.31Å; L62-L65 HydrophobicContact CD2-CD1 3.53Å; L62-L65 PolarHBondContact O-N 3.43Å; L65-H67 PolarHBondContact O-N 3.26Å; L65-L68 HydrophobicContact CB-CB 4.01Å; L65-L68 HydrophobicContact CB-CD2 4.48Å; L65-L68 HydrophobicContact CD1-CD2 4.27Å; L65-L68 WeakPolarHBondContact O-CB 3.22Å; L65-L68 PolarHBondContact O-N 2.8Å; L65-L87 HydrophobicContact CB-CD2 3.94Å; L65-L87 VanDerWaalsContact O-CD2 3.25Å; L65-L87 WeakPolarHBondContact O-CD2 3.24Å | ||
| 66 | Q | 89.4 | Confident | 93.8 | Very high | 111 Ų | 111 | 37.6 Ų | 37.6 | 52% | 0.519 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -20.8 | -174.1 | -63.3 | 178.8 | -2.9 | 0 | 0 | 113.5 | N64 C89 | N64-Q66 PolarHBondContact O-N 2.81Å; Q66-C89 VanDerWaalsContact O-CB 3.31Å; Q66-C89 WeakPolarHBondContact O-CB 3.39Å; Q66-C89 PolarHBondContact O-SG 3.38Å; Q66-C89 VanDerWaalsContact O-SG 3.35Å |
| 67 | H | 90.5 | Very high | 93.8 | Very high | 86 Ų | 86 | 42.4 Ų | 42.4 | 40% | 0.398 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 1.5 | 178.1 | -63.1 | -54.3 | 0 | 0 | 0 | 114.2 | T44 L46 L65 R69 | T44-H67 PolarHBondContact O-CD2 3.37Å; T44-H67 VanDerWaalsContact O-CD2 3.28Å; L46-H67 CarbonylContact O-C 3Å; L65-H67 PolarHBondContact O-N 3.26Å; H67-R69 PolarHBondContact O-N 2.66Å |
| 68 | L | 93.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -65.3 | 128.5 | -179.2 | -165.7 | 69.1 | 0 | 0 | 0 | 110.1 | L46 L49 L65 L71 L87 C89 L90 | L46-L68 HydrophobicContact CB-CD1 4.46Å; L46-L68 HydrophobicContact CD2-CD1 4.15Å; L46-L68 HydrophobicContact CG-CD1 4.13Å; L46-L68 WeakPolarHBondContact O-CA 3.29Å; L46-L68 PolarHBondContact O-N 3.23Å; L46-L68 VanDerWaalsContact O-N 3.08Å; L49-L68 HydrophobicContact CB-CD1 3.68Å; L49-L68 HydrophobicContact CB-CD2 4.43Å; L65-L68 HydrophobicContact CB-CB 4.01Å; L65-L68 HydrophobicContact CB-CD2 4.48Å; L65-L68 HydrophobicContact CD1-CD2 4.27Å; L65-L68 WeakPolarHBondContact O-CB 3.22Å; L65-L68 PolarHBondContact O-N 2.8Å; L68-L71 HydrophobicContact CD2-CB 4.01Å; L68-L71 HydrophobicContact CD2-CD1 4.24Å; L68-L71 HydrophobicContact CD2-CD2 4.38Å; L68-L71 HydrophobicContact CD2-CG 4.45Å; L68-L87 HydrophobicContact CB-CD2 4.35Å; L68-L87 HydrophobicContact CD2-CD1 4.32Å; L68-L87 HydrophobicContact CD2-CD2 4.43Å; L68-C89 CarbonylContact O-C 3.37Å; L68-L90 HydrophobicContact CD2-CD1 4.28Å; L68-L90 HydrophobicContact CG-CD1 4.24Å; L68-L90 WeakPolarHBondContact O-CA 3.13Å; L68-L90 PolarHBondContact O-N 2.88Å | ||
| 69 | R | 91.7 | Very high | 93.9 | Very high | 53 Ų | 53 | 37.9 Ų | 37.9 | 20% | 0.2 | 18% | 0.184 | C | C | . | . | trans | -111.1 | -38.6 | -178.9 | -64.4 | -159 | 167.1 | -172.2 | -8.4 | 112.7 | R47 H67 C89 V91 R92 | R47-R69 VanDerWaalsContact NH2-NH1 3.18Å; R47-R69 WeakPolarHBondContact O-CA 3.19Å; R47-R69 WeakPolarHBondContact O-CB 3.35Å; R47-R69 PolarHBondContact O-N 2.81Å; H67-R69 PolarHBondContact O-N 2.66Å; R69-C89 WeakPolarHBondContact CA-O 3.36Å; R69-V91 HydrophobicContact CB-CG2 4.4Å; R69-V91 WeakPolarHBondContact O-CA 3.38Å; R69-V91 PolarHBondContact O-N 2.85Å; R69-R92 PolarHBondContact O-N 3.33Å | ||
| 70 | V | 93.8 | Very high | 93.8 | Very high | 16 Ų | 16 | 43.7 Ų | 43.7 | 10% | 0.097 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 123.8 | 179.1 | -176.4 | 0 | 0 | 0 | 0 | 108.6 | R47 Y48 L49 R92 | R47-V70 PolarHBondContact O-N 2.98Å; Y48-V70 HydrophobicContact CD2-CB 3.64Å; Y48-V70 HydrophobicContact CD2-CG1 3.78Å; Y48-V70 HydrophobicContact CD2-CG2 4.2Å; Y48-V70 HydrophobicContact CE2-CB 4.14Å; Y48-V70 HydrophobicContact CE2-CG1 3.74Å; Y48-V70 HydrophobicContact CG-CB 4.47Å; L49-V70 PolarHBondContact N-O 2.82Å; V70-R92 WeakPolarHBondContact CA-O 3.23Å; V70-R92 HydrophobicContact CG1-CB 4.31Å; V70-R92 HydrophobicContact CG2-CB 4.32Å |
| 71 | L | 96.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 112.1 | 173.9 | 178 | 57.2 | 0 | 0 | 0 | 108.7 | L49 L62 L68 L73 L84 L87 L90 R92 L93 D94 | L49-L71 HydrophobicContact CB-CD1 4.12Å; L49-L71 HydrophobicContact CD2-CD1 3.86Å; L49-L71 HydrophobicContact CG-CD1 3.98Å; L49-L71 WeakPolarHBondContact O-CA 3.38Å; L62-L71 HydrophobicContact CD1-CD1 4.4Å; L62-L71 HydrophobicContact CD1-CD2 3.6Å; L68-L71 HydrophobicContact CD2-CB 4.01Å; L68-L71 HydrophobicContact CD2-CD1 4.24Å; L68-L71 HydrophobicContact CD2-CD2 4.38Å; L68-L71 HydrophobicContact CD2-CG 4.45Å; L71-L73 HydrophobicContact CD1-CD1 4.05Å; L71-L73 HydrophobicContact CD1-CD2 4.44Å; L71-L73 HydrophobicContact CD1-CG 3.9Å; L71-L73 HydrophobicContact CD2-CD1 3.76Å; L71-L73 HydrophobicContact CD2-CG 4.46Å; L71-L73 HydrophobicContact CG-CD1 3.83Å; L71-L73 HydrophobicContact CG-CG 3.99Å; L71-L84 HydrophobicContact CD2-CD2 4.07Å; L71-L87 HydrophobicContact CD2-CD1 4.37Å; L71-L90 HydrophobicContact CB-CD1 3.68Å; L71-R92 PolarHBondContact N-O 3.11Å; L71-L93 HydrophobicContact CB-CD1 4.18Å; L71-L93 HydrophobicContact CD2-CD1 3.87Å; L71-L93 HydrophobicContact CG-CD1 4.06Å; L71-D94 PolarHBondContact O-N 3.48Å |
| 72 | N | 96.4 | Very high | 93.7 | Very high | 23 Ų | 23 | 43.6 Ų | 43.6 | 12% | 0.123 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 114.5 | 173.5 | -174.3 | 5.5 | 0 | 0 | 0 | 109.8 | L49 D50 L51 S52 S74 D94 | L49-N72 PolarHBondContact O-N 3.49Å; D50-N72 HydrophobicContact CB-CB 4.28Å; D50-N72 PolarHBondContact OD1-ND2 3.18Å; D50-N72 PolarHBondContact OD2-ND2 2.89Å; L51-N72 CarbonylContact C-O 3.21Å; L51-N72 WeakPolarHBondContact CA-O 3.45Å; L51-N72 PolarHBondContact N-O 3.14Å; S52-N72 PolarHBondContact N-O 3.06Å; S52-N72 PolarHBondContact OG-ND2 3.4Å; N72-S74 WeakPolarHBondContact OD1-CB 3.36Å; N72-S74 PolarHBondContact OD1-N 3.14Å; N72-S74 VanDerWaalsContact OD1-N 3.08Å; N72-S74 PolarHBondContact OD1-OG 2.77Å; N72-D94 HydrophobicContact CB-CB 4.45Å |
| 73 | L | 97.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -123.9 | 19.5 | 177.9 | -73 | 167.8 | 0 | 0 | 0 | 110.8 | I37 L51 I56 I59 L71 N76 I78 D94 V95 N98 | I37-L73 HydrophobicContact CD1-CD2 3.79Å; L51-L73 HydrophobicContact CB-CD2 3.76Å; L51-L73 HydrophobicContact CD1-CD2 4.02Å; I56-L73 HydrophobicContact CD1-CD2 3.81Å; I59-L73 HydrophobicContact CD1-CD1 3.98Å; I59-L73 HydrophobicContact CG1-CD1 4.05Å; L71-L73 HydrophobicContact CD1-CD1 4.05Å; L71-L73 HydrophobicContact CD1-CD2 4.44Å; L71-L73 HydrophobicContact CD1-CG 3.9Å; L71-L73 HydrophobicContact CD2-CD1 3.76Å; L71-L73 HydrophobicContact CD2-CG 4.46Å; L71-L73 HydrophobicContact CG-CD1 3.83Å; L71-L73 HydrophobicContact CG-CG 3.99Å; L73-N76 PolarHBondContact O-ND2 2.86Å; L73-I78 HydrophobicContact CB-CD1 3.89Å; L73-I78 HydrophobicContact CD1-CD1 4.02Å; L73-I78 HydrophobicContact CD2-CD1 4.3Å; L73-I78 HydrophobicContact CG-CD1 4.31Å; L73-D94 CarbonylContact C-O 3.53Å; L73-D94 WeakPolarHBondContact CA-O 3.25Å; L73-D94 PolarHBondContact N-O 3.31Å; L73-V95 HydrophobicContact CB-CG1 4.04Å; L73-V95 HydrophobicContact CD1-CG1 4.37Å; L73-N98 PolarHBondContact O-ND2 3.21Å | ||
| 74 | S | 96.3 | Very high | 93.5 | Very high | 14 Ų | 14 | 41.6 Ų | 41.6 | 10% | 0.098 | 20% | 0.199 | C | C | . | . | trans | -60.9 | 154.4 | -179.1 | 58.6 | 0 | 0 | 0 | 0 | 112.7 | S52 S53 N72 N76 D94 S96 | S52-S74 CarbonylContact C-O 3.44Å; S52-S74 WeakPolarHBondContact CA-O 3.46Å; S52-S74 WeakPolarHBondContact CB-O 3.4Å; S52-S74 WeakPolarHBondContact CB-OG 3.46Å; S53-S74 PolarHBondContact N-O 3.48Å; N72-S74 WeakPolarHBondContact OD1-CB 3.36Å; N72-S74 PolarHBondContact OD1-N 3.14Å; N72-S74 VanDerWaalsContact OD1-N 3.08Å; N72-S74 PolarHBondContact OD1-OG 2.77Å; S74-N76 PolarHBondContact O-N 3.3Å; S74-N76 PolarHBondContact O-ND2 3.44Å; S74-N76 VanDerWaalsContact O-ND2 3.14Å; S74-D94 PolarHBondContact N-O 3.16Å; S74-S96 CarbonylContact C-O 3.55Å; S74-S96 WeakPolarHBondContact CA-O 3.19Å; S74-S96 WeakPolarHBondContact CB-OG 3.38Å | ||
| 75 | S | 97.1 | Very high | 93.5 | Very high | 49 Ų | 49 | 40.2 Ų | 40.2 | 34% | 0.343 | 19% | 0.192 | S | C | . | . | S | Bend | trans | 56 | 48.5 | 178 | -57.7 | 0 | 0 | 0 | 0 | 113.4 | S53 N54 S96 F97 | S53-S75 VanDerWaalsContact CA-O 3.25Å; S53-S75 WeakPolarHBondContact CA-O 3.49Å; S53-S75 PolarHBondContact N-O 3.41Å; N54-S75 PolarHBondContact N-O 2.84Å; S75-S96 PolarHBondContact N-O 2.84Å; S75-F97 WeakPolarHBondContact CA-O 3.36Å; S75-F97 PolarHBondContact N-O 3.19Å |
| 76 | N | 98.1 | Very high | 93.3 | Very high | 10 Ų | 10 | 43.8 Ų | 43.8 | 5% | 0.053 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -120.3 | -164.4 | 173.9 | -84.1 | -81.9 | 0 | 0 | 0 | 109.4 | L51 N54 Y55 I56 L73 S74 I78 F97 N98 | L51-N76 PolarHBondContact O-ND2 3.39Å; N54-N76 VanDerWaalsContact CA-OD1 3.3Å; N54-N76 WeakPolarHBondContact CA-OD1 3.5Å; N54-N76 WeakPolarHBondContact CB-OD1 3.44Å; N54-N76 PolarHBondContact N-OD1 3.4Å; N54-N76 PolarHBondContact O-OD1 2.72Å; Y55-N76 PolarHBondContact N-OD1 2.88Å; I56-N76 HydrophobicContact CB-CB 4.24Å; I56-N76 VanDerWaalsContact CB-OD1 3.28Å; I56-N76 WeakPolarHBondContact CB-OD1 3.45Å; I56-N76 WeakPolarHBondContact CG1-OD1 3.4Å; I56-N76 PolarHBondContact N-OD1 2.82Å; L73-N76 PolarHBondContact O-ND2 2.86Å; S74-N76 PolarHBondContact O-N 3.3Å; S74-N76 PolarHBondContact O-ND2 3.44Å; S74-N76 VanDerWaalsContact O-ND2 3.14Å; N76-I78 HydrophobicContact CB-CD1 4.3Å; N76-I78 HydrophobicContact CB-CG1 4.21Å; N76-F97 PolarHBondContact N-O 3.25Å; N76-N98 VanDerWaalsContact CA-OD1 3.29Å; N76-N98 WeakPolarHBondContact CA-OD1 3.35Å; N76-N98 WeakPolarHBondContact CB-OD1 3.41Å; N76-N98 PolarHBondContact N-OD1 2.9Å; N76-N98 PolarHBondContact O-OD1 3.44Å |
| 77 | K | 96.4 | Very high | 93.5 | Very high | 102 Ų | 102 | 38.8 Ų | 38.8 | 44% | 0.443 | 19% | 0.187 | S | C | . | . | trans | -118.7 | 31.9 | 179.9 | -60.1 | -173.3 | -179.2 | -179.1 | 0 | 112.1 | I56 T57 N98 | I56-K77 CarbonylContact O-C 3.57Å; I56-K77 VanDerWaalsContact O-C 3.27Å; I56-K77 WeakPolarHBondContact O-CA 3.41Å; I56-K77 PolarHBondContact O-N 3.47Å; T57-K77 WeakPolarHBondContact CA-O 3.27Å; T57-K77 HydrophobicContact CG2-CB 4.07Å; K77-N98 PolarHBondContact N-OD1 2.91Å | ||
| 78 | I | 97.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -73 | 129.5 | -176.4 | -59.6 | 167.8 | 0 | 0 | 0 | 109.4 | I56 T57 I59 L73 N76 F80 N98 E99 I100 | I56-I78 HydrophobicContact CG2-CD1 4.27Å; I56-I78 HydrophobicContact CG2-CG1 4.13Å; I56-I78 PolarHBondContact O-N 2.98Å; T57-I78 WeakPolarHBondContact O-CA 3.2Å; I59-I78 HydrophobicContact CD1-CD1 4.47Å; I59-I78 HydrophobicContact CD1-CG2 4.4Å; I59-I78 HydrophobicContact CG1-CD1 3.99Å; I59-I78 HydrophobicContact CG1-CG2 4.13Å; L73-I78 HydrophobicContact CB-CD1 3.89Å; L73-I78 HydrophobicContact CD1-CD1 4.02Å; L73-I78 HydrophobicContact CD2-CD1 4.3Å; L73-I78 HydrophobicContact CG-CD1 4.31Å; N76-I78 HydrophobicContact CB-CD1 4.3Å; N76-I78 HydrophobicContact CB-CG1 4.21Å; I78-F80 WeakPolarHBondContact CG2-O 3.4Å; I78-N98 HydrophobicContact CB-CB 4.3Å; I78-N98 VanDerWaalsContact CB-OD1 3.27Å; I78-N98 WeakPolarHBondContact CB-OD1 3.35Å; I78-N98 WeakPolarHBondContact CG1-OD1 3.47Å; I78-N98 PolarHBondContact N-OD1 3.38Å; I78-E99 CarbonylContact O-C 3.45Å; I78-E99 WeakPolarHBondContact O-CA 3.45Å; I78-E99 PolarHBondContact O-N 3.42Å; I78-I100 HydrophobicContact CG2-CG1 4.28Å; I78-I100 WeakPolarHBondContact O-CG1 3.26Å; I78-I100 PolarHBondContact O-N 2.91Å; I78-I100 VanDerWaalsContact O-N 3.16Å | ||
| 79 | R | 94.3 | Very high | 93.3 | Very high | 138 Ų | 138 | 39.8 Ų | 39.8 | 52% | 0.521 | 20% | 0.198 | S | C | . | . | trans | -103.5 | -25.6 | 179.1 | -69.9 | -179.4 | 179.3 | 175.3 | 1.1 | 114.8 | E99 I100 T101 | R79-E99 WeakPolarHBondContact CA-O 3.23Å; R79-E99 HydrophobicContact CG-CB 3.73Å; R79-E99 IonicContact CZ-OE2 3.17Å; R79-E99 VanDerWaalsContact CZ-OE2 3.3Å; R79-E99 IonicContact NE-OE2 2.67Å; R79-E99 PolarHBondContact NE-OE2 3.44Å; R79-E99 IonicContact NH2-OE2 3.92Å; R79-E99 PolarHBondContact NH2-OE2 3.17Å; R79-I100 WeakPolarHBondContact O-CA 3.38Å; R79-T101 PolarHBondContact O-N 2.88Å | ||
| 80 | F | 92.5 | Very high | 93.4 | Very high | 121 Ų | 121 | 37.4 Ų | 37.4 | 53% | 0.531 | 19% | 0.19 | S | C | . | . | B | Isolated β-bridge | trans | -139.3 | 137.5 | -175.6 | -55.1 | -77.1 | 0 | 0 | 0 | 109.3 | I78 | I78-F80 WeakPolarHBondContact CG2-O 3.4Å |
| 81 | I | 91.5 | Very high | 93.3 | Very high | 6 Ų | 6 | 37 Ų | 37 | 3% | 0.031 | 19% | 0.187 | C | C | . | . | trans | -83.8 | 117.6 | 169.6 | -57.2 | 179.4 | 0 | 0 | 0 | 107.5 | I59 L84 V95 I100 L103 G105 L106 | I59-I81 HydrophobicContact CD1-CG2 4.38Å; I81-L84 HydrophobicContact CG2-CD1 3.46Å; I81-L84 VanDerWaalsContact CG2-CD1 3.46Å; I81-L84 HydrophobicContact CG2-CG 4.11Å; I81-V95 HydrophobicContact CD1-CG2 4.48Å; I81-I100 HydrophobicContact CD1-CD1 4.21Å; I81-I100 HydrophobicContact CG1-CD1 3.93Å; I81-I100 HydrophobicContact CG1-CG2 4.35Å; I81-L103 HydrophobicContact CD1-CD2 3.53Å; I81-G105 VanDerWaalsContact O-CA 3.25Å; I81-G105 WeakPolarHBondContact O-CA 3.39Å; I81-L106 HydrophobicContact CD1-CD1 3.85Å; I81-L106 HydrophobicContact CD1-CD2 4.39Å; I81-L106 HydrophobicContact CD1-CG 4.01Å; I81-L106 HydrophobicContact CG2-CD2 3.9Å; I81-L106 HydrophobicContact CG2-CG 4.11Å | ||
| 82 | D | 88.1 | Confident | 93.1 | Very high | 35 Ų | 35 | 38 Ų | 38 | 19% | 0.187 | 19% | 0.191 | C | C | . | . | trans | -141.1 | 178 | 169.8 | 75.7 | -16.4 | 0 | 0 | 0 | 110.5 | R58 I59 L84 | R58-D82 IonicContact CZ-OD2 2.93Å; R58-D82 VanDerWaalsContact CZ-OD2 3.25Å; R58-D82 IonicContact NE-OD1 3.83Å; R58-D82 IonicContact NE-OD2 3.75Å; R58-D82 PolarHBondContact NE-OD2 3.32Å; R58-D82 IonicContact NH2-OD2 2.72Å; R58-D82 PolarHBondContact NH2-OD2 3.17Å; I59-D82 WeakPolarHBondContact CG2-O 3.37Å; D82-L84 PolarHBondContact O-N 3.36Å | ||
| 83 | S | 87.6 | Confident | 93.1 | Very high | 31 Ų | 31 | 37 Ų | 37 | 22% | 0.217 | 19% | 0.185 | C | C | . | . | S | Bend | trans | 61 | 20.3 | 171.1 | -44.2 | 0 | 0 | 0 | 0 | 116.4 | I59 | I59-S83 WeakPolarHBondContact O-CB 3.23Å; I59-S83 PolarHBondContact O-OG 3.04Å |
| 84 | L | 91.9 | Very high | 93 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.016 | 19% | 0.192 | C | C | . | . | trans | -93.3 | -2.3 | 174.4 | -56.4 | -176.6 | 0 | 0 | 0 | 113.4 | I59 L62 L71 I81 D82 N86 L87 L93 L106 L109 | I59-L84 HydrophobicContact CD1-CD2 4.41Å; I59-L84 HydrophobicContact CG2-CD2 3.95Å; L62-L84 HydrophobicContact CD1-CD2 4.4Å; L71-L84 HydrophobicContact CD2-CD2 4.07Å; I81-L84 HydrophobicContact CG2-CD1 3.46Å; I81-L84 VanDerWaalsContact CG2-CD1 3.46Å; I81-L84 HydrophobicContact CG2-CG 4.11Å; D82-L84 PolarHBondContact O-N 3.36Å; L84-N86 PolarHBondContact O-N 2.98Å; L84-N86 VanDerWaalsContact O-N 3.08Å; L84-L87 HydrophobicContact CB-CD1 4.38Å; L84-L87 HydrophobicContact CD2-CD1 3.6Å; L84-L87 WeakPolarHBondContact O-CB 3.47Å; L84-L87 PolarHBondContact O-N 3.38Å; L84-L93 HydrophobicContact CD1-CD1 4.49Å; L84-L93 HydrophobicContact CD1-CD2 3.68Å; L84-L106 HydrophobicContact CD1-CD2 4.06Å; L84-L109 HydrophobicContact CB-CD1 4.25Å; L84-L109 HydrophobicContact CB-CD2 4.3Å; L84-L109 WeakPolarHBondContact O-CD2 3.33Å | ||
| 85 | D | 89 | Confident | 93 | Very high | 46 Ų | 46 | 37.5 Ų | 37.5 | 25% | 0.246 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -26.5 | -169.3 | -59.2 | -23.1 | 0 | 0 | 0 | 113.9 | K108 Y114 | D85-K108 WeakPolarHBondContact OD1-CB 3.42Å; D85-K108 WeakPolarHBondContact OD1-CD 3.3Å; D85-K108 VanDerWaalsContact OD2-CD 3.28Å; D85-K108 WeakPolarHBondContact OD2-CD 3.46Å; D85-K108 IonicContact OD2-NZ 3.13Å; D85-K108 PolarHBondContact OD2-NZ 3.07Å; D85-Y114 WeakPolarHBondContact O-CE1 3.38Å; D85-Y114 PolarHBondContact O-OH 2.94Å; D85-Y114 VanDerWaalsContact O-OH 3.12Å |
| 86 | N | 90.3 | Very high | 93 | Very high | 76 Ų | 76 | 35.3 Ų | 35.3 | 41% | 0.406 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -5 | -179.9 | -70.5 | -14.3 | 0 | 0 | 0 | 114 | E63 L84 N88 | E63-N86 VanDerWaalsContact O-CB 3.3Å; E63-N86 WeakPolarHBondContact O-CB 3.3Å; E63-N86 PolarHBondContact O-ND2 3.37Å; L84-N86 PolarHBondContact O-N 2.98Å; L84-N86 VanDerWaalsContact O-N 3.08Å; N86-N88 PolarHBondContact O-N 3.13Å |
| 87 | L | 93.2 | Very high | 92.9 | Very high | 5 Ų | 5 | 38.5 Ų | 38.5 | 3% | 0.026 | 19% | 0.185 | C | C | . | . | trans | -86.9 | 57.5 | -173.3 | -55.2 | -179 | 0 | 0 | 0 | 111.4 | L62 L65 L68 L71 L84 C89 L90 | L62-L87 HydrophobicContact CB-CD1 4.4Å; L62-L87 HydrophobicContact CB-CD2 4.37Å; L62-L87 HydrophobicContact CD1-CD1 4.24Å; L62-L87 WeakPolarHBondContact O-CD2 3.44Å; L65-L87 HydrophobicContact CB-CD2 3.94Å; L65-L87 VanDerWaalsContact O-CD2 3.25Å; L65-L87 WeakPolarHBondContact O-CD2 3.24Å; L68-L87 HydrophobicContact CB-CD2 4.35Å; L68-L87 HydrophobicContact CD2-CD1 4.32Å; L68-L87 HydrophobicContact CD2-CD2 4.43Å; L71-L87 HydrophobicContact CD2-CD1 4.37Å; L84-L87 HydrophobicContact CB-CD1 4.38Å; L84-L87 HydrophobicContact CD2-CD1 3.6Å; L84-L87 WeakPolarHBondContact O-CB 3.47Å; L84-L87 PolarHBondContact O-N 3.38Å; L87-C89 PolarHBondContact O-N 3.05Å; L87-L90 HydrophobicContact CB-CB 3.94Å; L87-L90 HydrophobicContact CB-CD2 4.42Å; L87-L90 HydrophobicContact CD1-CD2 4.19Å; L87-L90 WeakPolarHBondContact O-CB 3.44Å; L87-L90 PolarHBondContact O-N 3.42Å | ||
| 88 | N | 89.4 | Confident | 93 | Very high | 67 Ų | 67 | 34 Ų | 34 | 36% | 0.358 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -31 | -173.9 | -62.7 | -14 | 0 | 0 | 0 | 113.2 | N86 G113 Y114 S115 | N86-N88 PolarHBondContact O-N 3.13Å; N88-G113 WeakPolarHBondContact CB-O 3.48Å; N88-Y114 VanDerWaalsContact OD1-CE1 3.31Å; N88-Y114 WeakPolarHBondContact OD1-CE1 3.44Å; N88-S115 WeakPolarHBondContact O-CB 3.28Å; N88-S115 PolarHBondContact O-N 2.96Å; N88-S115 PolarHBondContact O-OG 3Å |
| 89 | C | 90.6 | Very high | 92.9 | Very high | 40 Ų | 40 | 37.3 Ų | 37.3 | 27% | 0.27 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 1.5 | 177.7 | -66.5 | 0 | 0 | 0 | 0 | 114.5 | Q66 L68 R69 L87 V91 | Q66-C89 VanDerWaalsContact O-CB 3.31Å; Q66-C89 WeakPolarHBondContact O-CB 3.39Å; Q66-C89 PolarHBondContact O-SG 3.38Å; Q66-C89 VanDerWaalsContact O-SG 3.35Å; L68-C89 CarbonylContact O-C 3.37Å; R69-C89 WeakPolarHBondContact CA-O 3.36Å; L87-C89 PolarHBondContact O-N 3.05Å; C89-V91 WeakPolarHBondContact O-CG2 3.34Å; C89-V91 PolarHBondContact O-N 3.44Å |
| 90 | L | 93.7 | Very high | 93.1 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.016 | 16% | 0.157 | C | C | . | . | trans | -67 | 121.2 | -178.2 | -169.6 | 69.5 | 0 | 0 | 0 | 109.4 | L68 L71 L87 L93 S115 L116 | L68-L90 HydrophobicContact CD2-CD1 4.28Å; L68-L90 HydrophobicContact CG-CD1 4.24Å; L68-L90 WeakPolarHBondContact O-CA 3.13Å; L68-L90 PolarHBondContact O-N 2.88Å; L71-L90 HydrophobicContact CB-CD1 3.68Å; L87-L90 HydrophobicContact CB-CB 3.94Å; L87-L90 HydrophobicContact CB-CD2 4.42Å; L87-L90 HydrophobicContact CD1-CD2 4.19Å; L87-L90 WeakPolarHBondContact O-CB 3.44Å; L87-L90 PolarHBondContact O-N 3.42Å; L90-L93 HydrophobicContact CD2-CB 4.24Å; L90-L93 HydrophobicContact CD2-CD1 4.42Å; L90-S115 CarbonylContact O-C 3.55Å; L90-L116 HydrophobicContact CD2-CD1 4.05Å; L90-L116 HydrophobicContact CG-CD1 4Å; L90-L116 WeakPolarHBondContact O-CA 3.44Å; L90-L116 PolarHBondContact O-N 3.28Å | ||
| 91 | V | 91.6 | Very high | 93.1 | Very high | 7 Ų | 7 | 28.4 Ų | 28.4 | 4% | 0.042 | 15% | 0.153 | C | C | . | . | trans | -102.4 | -41.6 | -179 | -179.1 | 0 | 0 | 0 | 0 | 110.8 | R69 C89 S115 T117 T118 P197 | R69-V91 HydrophobicContact CB-CG2 4.4Å; R69-V91 WeakPolarHBondContact O-CA 3.38Å; R69-V91 PolarHBondContact O-N 2.85Å; C89-V91 WeakPolarHBondContact O-CG2 3.34Å; C89-V91 PolarHBondContact O-N 3.44Å; V91-S115 WeakPolarHBondContact CA-O 3.5Å; V91-T117 PolarHBondContact O-N 3.22Å; V91-T118 PolarHBondContact O-N 2.88Å; V91-P197 HydrophobicContact CG2-CG 4.38Å | ||
| 92 | R | 93 | Very high | 93.2 | Very high | 23 Ų | 23 | 29.4 Ų | 29.4 | 9% | 0.087 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 127 | -178.8 | -175.3 | 173.5 | -67.7 | 142.1 | 4.9 | 111.2 | R69 V70 L71 T118 D191 D195 | R69-R92 PolarHBondContact O-N 3.33Å; V70-R92 WeakPolarHBondContact CA-O 3.23Å; V70-R92 HydrophobicContact CG1-CB 4.31Å; V70-R92 HydrophobicContact CG2-CB 4.32Å; L71-R92 PolarHBondContact N-O 3.11Å; R92-T118 WeakPolarHBondContact CA-O 3.41Å; R92-T118 HydrophobicContact CG-CG2 4.15Å; R92-D191 PolarHBondContact NH2-O 2.82Å; R92-D195 IonicContact CZ-OD1 3.91Å; R92-D195 IonicContact CZ-OD2 2.82Å; R92-D195 IonicContact NE-OD1 3.86Å; R92-D195 IonicContact NH1-OD1 3.75Å; R92-D195 PolarHBondContact NH1-OD1 3.37Å; R92-D195 IonicContact NH1-OD2 3.3Å; R92-D195 PolarHBondContact NH1-OD2 3.27Å; R92-D195 IonicContact NH2-OD1 3.72Å; R92-D195 PolarHBondContact NH2-OD1 2.91Å; R92-D195 IonicContact NH2-OD2 2.85Å |
| 93 | L | 95.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 113.9 | 172.4 | 177.7 | 64.4 | 0 | 0 | 0 | 108.9 | L71 L84 L90 V95 L106 L116 T118 I119 I120 | L71-L93 HydrophobicContact CB-CD1 4.18Å; L71-L93 HydrophobicContact CD2-CD1 3.87Å; L71-L93 HydrophobicContact CG-CD1 4.06Å; L84-L93 HydrophobicContact CD1-CD1 4.49Å; L84-L93 HydrophobicContact CD1-CD2 3.68Å; L90-L93 HydrophobicContact CD2-CB 4.24Å; L90-L93 HydrophobicContact CD2-CD1 4.42Å; L93-V95 HydrophobicContact CD1-CG1 3.78Å; L93-V95 HydrophobicContact CD2-CG1 4.44Å; L93-V95 HydrophobicContact CD2-CG2 4.47Å; L93-V95 HydrophobicContact CG-CG1 4Å; L93-V95 HydrophobicContact CG-CG2 4.3Å; L93-L106 HydrophobicContact CD2-CD2 4.34Å; L93-L116 HydrophobicContact CB-CD1 3.88Å; L93-T118 PolarHBondContact N-O 3.4Å; L93-I119 WeakPolarHBondContact O-CA 3.32Å; L93-I120 PolarHBondContact O-N 3.31Å |
| 94 | D | 95.7 | Very high | 93.7 | Very high | 26 Ų | 26 | 30.2 Ų | 30.2 | 14% | 0.139 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 114.9 | 169.4 | -168.3 | -14.3 | 0 | 0 | 0 | 109.9 | L71 N72 L73 S74 S96 I120 | L71-D94 PolarHBondContact O-N 3.48Å; N72-D94 HydrophobicContact CB-CB 4.45Å; L73-D94 CarbonylContact C-O 3.53Å; L73-D94 WeakPolarHBondContact CA-O 3.25Å; L73-D94 PolarHBondContact N-O 3.31Å; S74-D94 PolarHBondContact N-O 3.16Å; D94-S96 WeakPolarHBondContact OD1-CB 3.36Å; D94-S96 PolarHBondContact OD1-N 3.33Å; D94-S96 PolarHBondContact OD1-OG 3.02Å; D94-I120 HydrophobicContact CB-CB 4.15Å; D94-I120 HydrophobicContact CB-CD1 4.29Å; D94-I120 WeakPolarHBondContact OD1-CG2 3.31Å |
| 95 | V | 96.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -130.1 | 27.3 | 177.2 | -75.1 | 0 | 0 | 0 | 0 | 109.8 | L73 I81 L93 N98 I100 I120 L121 N124 | L73-V95 HydrophobicContact CB-CG1 4.04Å; L73-V95 HydrophobicContact CD1-CG1 4.37Å; I81-V95 HydrophobicContact CD1-CG2 4.48Å; L93-V95 HydrophobicContact CD1-CG1 3.78Å; L93-V95 HydrophobicContact CD2-CG1 4.44Å; L93-V95 HydrophobicContact CD2-CG2 4.47Å; L93-V95 HydrophobicContact CG-CG1 4Å; L93-V95 HydrophobicContact CG-CG2 4.3Å; V95-N98 PolarHBondContact O-ND2 3.21Å; V95-I100 HydrophobicContact CB-CD1 3.76Å; V95-I100 HydrophobicContact CG1-CD1 4.46Å; V95-I100 HydrophobicContact CG2-CD1 3.88Å; V95-I120 CarbonylContact C-O 3.48Å; V95-I120 WeakPolarHBondContact CG2-O 3.37Å; V95-I120 PolarHBondContact N-O 2.88Å; V95-L121 HydrophobicContact CG2-CD2 3.45Å; V95-L121 VanDerWaalsContact CG2-CD2 3.45Å; V95-L121 HydrophobicContact CG2-CG 3.97Å; V95-N124 PolarHBondContact O-ND2 3.18Å | ||
| 96 | S | 95.7 | Very high | 93.8 | Very high | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | trans | -62.2 | 158.1 | 175.8 | 55.4 | 0 | 0 | 0 | 0 | 112.4 | S74 S75 D94 N98 I120 Q122 | S74-S96 CarbonylContact C-O 3.55Å; S74-S96 WeakPolarHBondContact CA-O 3.19Å; S74-S96 WeakPolarHBondContact CB-OG 3.38Å; S75-S96 PolarHBondContact N-O 2.84Å; D94-S96 WeakPolarHBondContact OD1-CB 3.36Å; D94-S96 PolarHBondContact OD1-N 3.33Å; D94-S96 PolarHBondContact OD1-OG 3.02Å; S96-N98 VanDerWaalsContact C-N 3.35Å; S96-N98 PolarHBondContact O-N 3.25Å; S96-N98 PolarHBondContact O-ND2 3.28Å; S96-I120 PolarHBondContact N-O 3.5Å; S96-Q122 CarbonylContact C-O 3.59Å; S96-Q122 WeakPolarHBondContact CA-O 3.45Å; S96-Q122 VanDerWaalsContact CB-CD 3.48Å; S96-Q122 VanDerWaalsContact CB-NE2 3.34Å; S96-Q122 VanDerWaalsContact CB-O 3.28Å; S96-Q122 WeakPolarHBondContact CB-O 3.38Å | ||
| 97 | F | 96.5 | Very high | 93.7 | Very high | 76 Ų | 76 | 28.9 Ų | 28.9 | 33% | 0.333 | 16% | 0.157 | S | C | . | . | S | Bend | trans | 54.1 | 48.6 | 177.7 | -55.3 | -79.9 | 0 | 0 | 0 | 113.2 | S75 N76 Q122 G123 D154 | S75-F97 WeakPolarHBondContact CA-O 3.36Å; S75-F97 PolarHBondContact N-O 3.19Å; N76-F97 PolarHBondContact N-O 3.25Å; F97-Q122 HydrophobicContact CE2-CG 4.23Å; F97-Q122 HydrophobicContact CZ-CG 4.38Å; F97-Q122 PolarHBondContact N-O 3.19Å; F97-G123 WeakPolarHBondContact CA-O 3.4Å; F97-D154 HydrophobicContact CE1-CB 3.77Å; F97-D154 VanDerWaalsContact CE1-OD2 3.23Å; F97-D154 WeakPolarHBondContact CE1-OD2 3.34Å; F97-D154 HydrophobicContact CZ-CB 3.98Å; F97-D154 WeakPolarHBondContact CZ-OD2 3.43Å |
| 98 | N | 97.8 | Very high | 93.5 | Very high | 8 Ų | 8 | 33.9 Ų | 33.9 | 4% | 0.043 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -122.5 | -174.2 | 175.2 | -85.5 | -85.8 | 0 | 0 | 0 | 109.5 | L73 N76 K77 I78 V95 S96 I100 G123 N124 | L73-N98 PolarHBondContact O-ND2 3.21Å; N76-N98 VanDerWaalsContact CA-OD1 3.29Å; N76-N98 WeakPolarHBondContact CA-OD1 3.35Å; N76-N98 WeakPolarHBondContact CB-OD1 3.41Å; N76-N98 PolarHBondContact N-OD1 2.9Å; N76-N98 PolarHBondContact O-OD1 3.44Å; K77-N98 PolarHBondContact N-OD1 2.91Å; I78-N98 HydrophobicContact CB-CB 4.3Å; I78-N98 VanDerWaalsContact CB-OD1 3.27Å; I78-N98 WeakPolarHBondContact CB-OD1 3.35Å; I78-N98 WeakPolarHBondContact CG1-OD1 3.47Å; I78-N98 PolarHBondContact N-OD1 3.38Å; V95-N98 PolarHBondContact O-ND2 3.21Å; S96-N98 VanDerWaalsContact C-N 3.35Å; S96-N98 PolarHBondContact O-N 3.25Å; S96-N98 PolarHBondContact O-ND2 3.28Å; N98-I100 HydrophobicContact CB-CD1 4.24Å; N98-I100 HydrophobicContact CB-CG1 4.05Å; N98-G123 PolarHBondContact N-O 2.85Å; N98-N124 WeakPolarHBondContact CA-OD1 3.37Å; N98-N124 WeakPolarHBondContact CB-OD1 3.36Å; N98-N124 PolarHBondContact N-OD1 2.9Å; N98-N124 PolarHBondContact O-OD1 2.94Å |
| 99 | E | 96.5 | Very high | 93.5 | Very high | 70 Ų | 70 | 31 Ų | 31 | 33% | 0.327 | 16% | 0.163 | S | C | . | . | trans | -103.2 | 29.4 | 178.9 | -64.6 | 178.1 | -158.2 | 0 | 0 | 111.3 | I78 R79 T101 | I78-E99 CarbonylContact O-C 3.45Å; I78-E99 WeakPolarHBondContact O-CA 3.45Å; I78-E99 PolarHBondContact O-N 3.42Å; R79-E99 WeakPolarHBondContact CA-O 3.23Å; R79-E99 HydrophobicContact CG-CB 3.73Å; R79-E99 IonicContact CZ-OE2 3.17Å; R79-E99 VanDerWaalsContact CZ-OE2 3.3Å; R79-E99 IonicContact NE-OE2 2.67Å; R79-E99 PolarHBondContact NE-OE2 3.44Å; R79-E99 IonicContact NH2-OE2 3.92Å; R79-E99 PolarHBondContact NH2-OE2 3.17Å; E99-T101 PolarHBondContact O-N 3.35Å | ||
| 100 | I | 97.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | trans | -70 | 119.3 | -171.5 | -60.3 | 169.3 | 0 | 0 | 0 | 110.3 | I78 R79 I81 V95 N98 L103 L121 N124 Q125 I126 | I78-I100 HydrophobicContact CG2-CG1 4.28Å; I78-I100 WeakPolarHBondContact O-CG1 3.26Å; I78-I100 PolarHBondContact O-N 2.91Å; I78-I100 VanDerWaalsContact O-N 3.16Å; R79-I100 WeakPolarHBondContact O-CA 3.38Å; I81-I100 HydrophobicContact CD1-CD1 4.21Å; I81-I100 HydrophobicContact CG1-CD1 3.93Å; I81-I100 HydrophobicContact CG1-CG2 4.35Å; V95-I100 HydrophobicContact CB-CD1 3.76Å; V95-I100 HydrophobicContact CG1-CD1 4.46Å; V95-I100 HydrophobicContact CG2-CD1 3.88Å; N98-I100 HydrophobicContact CB-CD1 4.24Å; N98-I100 HydrophobicContact CB-CG1 4.05Å; I100-L103 HydrophobicContact CG2-CD2 4.1Å; I100-L121 HydrophobicContact CD1-CD2 4.09Å; I100-N124 HydrophobicContact CB-CB 4.21Å; I100-N124 WeakPolarHBondContact CB-OD1 3.41Å; I100-N124 VanDerWaalsContact CG1-OD1 3.3Å; I100-N124 WeakPolarHBondContact CG1-OD1 3.37Å; I100-N124 PolarHBondContact N-OD1 3.41Å; I100-Q125 CarbonylContact O-C 3.53Å; I100-Q125 VanDerWaalsContact O-C 3.25Å; I100-Q125 WeakPolarHBondContact O-CA 3.22Å; I100-Q125 PolarHBondContact O-N 3.42Å; I100-I126 PolarHBondContact O-N 3.42Å | ||
| 101 | T | 93.9 | Very high | 92.6 | Very high | 72 Ų | 72 | 36.3 Ų | 36.3 | 44% | 0.442 | 19% | 0.188 | S | C | . | . | trans | -101.6 | -21.2 | 174.9 | 57 | 0 | 0 | 0 | 0 | 112.6 | R79 E99 Q125 | R79-T101 PolarHBondContact O-N 2.88Å; E99-T101 PolarHBondContact O-N 3.35Å; T101-Q125 HydrophobicContact CG2-CB 3.95Å | ||
| 102 | S | 92.6 | Very high | 92.1 | Very high | 27 Ų | 27 | 41.8 Ų | 41.8 | 19% | 0.189 | 22% | 0.224 | C | C | . | . | B | Isolated β-bridge | trans | -143.8 | 134.2 | -171.7 | -175.6 | 0 | 0 | 0 | 0 | 114 | V104 H131 | S102-V104 WeakPolarHBondContact OG-CG2 3.37Å; S102-H131 WeakPolarHBondContact CA-NE2 3.43Å; S102-H131 PolarHBondContact OG-CE1 2.84Å; S102-H131 PolarHBondContact OG-NE2 3.31Å |
| 103 | L | 94.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -98.9 | 12.3 | -179.9 | -60.2 | -178.2 | 0 | 0 | 0 | 114.1 | I81 I100 G105 L106 L121 I126 H131 I132 C135 L136 | I81-L103 HydrophobicContact CD1-CD2 3.53Å; I100-L103 HydrophobicContact CG2-CD2 4.1Å; L103-G105 PolarHBondContact O-N 2.89Å; L103-L106 HydrophobicContact CB-CD1 4.32Å; L103-L106 HydrophobicContact CD2-CD1 4.13Å; L103-L106 WeakPolarHBondContact O-CB 3.43Å; L103-L106 PolarHBondContact O-N 3.43Å; L103-L121 HydrophobicContact CD1-CD1 4.14Å; L103-L121 HydrophobicContact CD2-CD1 3.91Å; L103-L121 HydrophobicContact CD2-CD2 4.05Å; L103-I126 HydrophobicContact CD1-CD1 4.01Å; L103-I126 HydrophobicContact CD2-CD1 3.91Å; L103-I126 HydrophobicContact CG-CD1 4.02Å; L103-H131 PolarHBondContact N-NE2 3.47Å; L103-H131 VanDerWaalsContact N-NE2 3.13Å; L103-I132 HydrophobicContact CD1-CG1 4.11Å; L103-C135 VanDerWaalsContact C-SG 3.57Å; L103-C135 HydrophobicContact CB-CB 3.71Å; L103-L136 HydrophobicContact CD1-CD2 4.31Å; L103-L136 HydrophobicContact CD1-CG 4.4Å | ||
| 104 | V | 92.4 | Very high | 91.4 | Very high | 82 Ų | 82 | 45 Ų | 45 | 50% | 0.497 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -54.9 | -33.3 | -172.8 | 172.3 | 0 | 0 | 0 | 0 | 113.2 | S102 L106 K107 | S102-V104 WeakPolarHBondContact OG-CG2 3.37Å; V104-L106 PolarHBondContact O-N 3.02Å; V104-K107 WeakPolarHBondContact O-CB 3.49Å; V104-K107 PolarHBondContact O-N 3.17Å; V104-K107 VanDerWaalsContact O-N 3.09Å |
| 105 | G | 89.6 | Confident | 91.1 | Very high | 15 Ų | 15 | 45.9 Ų | 45.9 | 16% | 0.155 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -63.2 | -26.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | I81 L103 K107 K108 | I81-G105 VanDerWaalsContact O-CA 3.25Å; I81-G105 WeakPolarHBondContact O-CA 3.39Å; L103-G105 PolarHBondContact O-N 2.89Å; G105-K107 PolarHBondContact O-N 2.88Å; G105-K108 PolarHBondContact O-N 2.89Å |
| 106 | L | 93.2 | Very high | 91 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -70.8 | -20.6 | 175.9 | -64.2 | 177.6 | 0 | 0 | 0 | 112.6 | I81 L84 L93 L103 V104 K108 L109 L116 I119 L136 L139 | I81-L106 HydrophobicContact CD1-CD1 3.85Å; I81-L106 HydrophobicContact CD1-CD2 4.39Å; I81-L106 HydrophobicContact CD1-CG 4.01Å; I81-L106 HydrophobicContact CG2-CD2 3.9Å; I81-L106 HydrophobicContact CG2-CG 4.11Å; L84-L106 HydrophobicContact CD1-CD2 4.06Å; L93-L106 HydrophobicContact CD2-CD2 4.34Å; L103-L106 HydrophobicContact CB-CD1 4.32Å; L103-L106 HydrophobicContact CD2-CD1 4.13Å; L103-L106 WeakPolarHBondContact O-CB 3.43Å; L103-L106 PolarHBondContact O-N 3.43Å; V104-L106 PolarHBondContact O-N 3.02Å; L106-K108 PolarHBondContact O-N 3.48Å; L106-K108 VanDerWaalsContact O-N 3.13Å; L106-L109 HydrophobicContact CD2-CD1 3.67Å; L106-L109 WeakPolarHBondContact O-CB 3.35Å; L106-L109 PolarHBondContact O-N 3.2Å; L106-L116 HydrophobicContact CD2-CD2 4.44Å; L106-I119 HydrophobicContact CD1-CD1 4.13Å; L106-L136 HydrophobicContact CB-CD2 4.24Å; L106-L136 HydrophobicContact CD1-CD2 3.51Å; L106-L139 HydrophobicContact CB-CD1 4.49Å |
| 107 | K | 88.9 | Confident | 90.7 | Very high | 81 Ų | 81 | 47.6 Ų | 47.6 | 35% | 0.352 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -61.6 | -23.1 | 178.5 | -166.9 | 173.9 | 178.9 | 175.7 | 0 | 112.8 | V104 G105 L109 E134 | V104-K107 WeakPolarHBondContact O-CB 3.49Å; V104-K107 PolarHBondContact O-N 3.17Å; V104-K107 VanDerWaalsContact O-N 3.09Å; G105-K107 PolarHBondContact O-N 2.88Å; K107-L109 VanDerWaalsContact C-N 3.35Å; K107-E134 IonicContact NZ-OE1 3.64Å; K107-E134 PolarHBondContact NZ-OE1 2.94Å |
| 108 | K | 86.9 | Confident | 90.6 | Very high | 111 Ų | 111 | 44.1 Ų | 44.1 | 48% | 0.483 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -78.4 | -18.2 | 177.2 | -64.5 | 178.8 | 172.1 | -177.4 | 0 | 113.5 | D85 G105 L106 F110 | D85-K108 WeakPolarHBondContact OD1-CB 3.42Å; D85-K108 WeakPolarHBondContact OD1-CD 3.3Å; D85-K108 VanDerWaalsContact OD2-CD 3.28Å; D85-K108 WeakPolarHBondContact OD2-CD 3.46Å; D85-K108 IonicContact OD2-NZ 3.13Å; D85-K108 PolarHBondContact OD2-NZ 3.07Å; G105-K108 PolarHBondContact O-N 2.89Å; L106-K108 PolarHBondContact O-N 3.48Å; L106-K108 VanDerWaalsContact O-N 3.13Å; K108-F110 VanDerWaalsContact C-N 3.33Å; K108-F110 WeakPolarHBondContact O-CD1 3.32Å; K108-F110 PolarHBondContact O-N 3.45Å; K108-F110 VanDerWaalsContact O-N 3.09Å |
| 109 | L | 90.3 | Very high | 90.5 | Very high | 6 Ų | 6 | 43.8 Ų | 43.8 | 3% | 0.031 | 25% | 0.253 | C | S | . | . | trans | -85.5 | 75.8 | 178.5 | -51.4 | -177.5 | 0 | 0 | 0 | 109 | L84 L106 K107 Y114 L116 L139 | L84-L109 HydrophobicContact CB-CD1 4.25Å; L84-L109 HydrophobicContact CB-CD2 4.3Å; L84-L109 WeakPolarHBondContact O-CD2 3.33Å; L106-L109 HydrophobicContact CD2-CD1 3.67Å; L106-L109 WeakPolarHBondContact O-CB 3.35Å; L106-L109 PolarHBondContact O-N 3.2Å; K107-L109 VanDerWaalsContact C-N 3.35Å; L109-Y114 HydrophobicContact CB-CD1 4.14Å; L109-Y114 HydrophobicContact CB-CD2 4.45Å; L109-Y114 HydrophobicContact CB-CE1 4.37Å; L109-Y114 HydrophobicContact CB-CG 4.17Å; L109-Y114 HydrophobicContact CD2-CD1 3.79Å; L109-Y114 HydrophobicContact CD2-CE1 3.44Å; L109-Y114 VanDerWaalsContact CD2-CE1 3.44Å; L109-Y114 HydrophobicContact CG-CD1 4.49Å; L109-Y114 HydrophobicContact CG-CE1 4.49Å; L109-L116 HydrophobicContact CD1-CD2 4.07Å; L109-L139 HydrophobicContact CB-CD2 3.65Å; L109-L139 HydrophobicContact CD1-CD2 4.39Å; L109-L139 VanDerWaalsContact O-CD2 3.32Å; L109-L139 WeakPolarHBondContact O-CD2 3.48Å | ||
| 110 | F | 84.5 | Confident | 90.4 | Very high | 131 Ų | 131 | 40.8 Ų | 40.8 | 58% | 0.575 | 24% | 0.239 | S | C | * | . | trans | -120.5 | 146.8 | -177.2 | 65.6 | -91.9 | 0 | 0 | 0 | 112.6 | K108 Y114 N138 | K108-F110 VanDerWaalsContact C-N 3.33Å; K108-F110 WeakPolarHBondContact O-CD1 3.32Å; K108-F110 PolarHBondContact O-N 3.45Å; K108-F110 VanDerWaalsContact O-N 3.09Å; F110-Y114 VanDerWaalsContact O-CD2 3.24Å; F110-Y114 WeakPolarHBondContact O-CD2 3.32Å; F110-Y114 VanDerWaalsContact O-CE2 3.25Å; F110-Y114 WeakPolarHBondContact O-CE2 3.46Å; F110-N138 HydrophobicContact CB-CB 3.88Å | ||
| 111 | G | 81.6 | Confident | 90.3 | Very high | 23 Ų | 23 | 40.8 Ų | 40.8 | 24% | 0.237 | 24% | 0.239 | C | C | . | . | S | Bend | trans | 92.7 | 173 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | G113 Y114 | G111-G113 PolarHBondContact O-N 3.42Å; G111-G113 VanDerWaalsContact O-N 3.14Å; G111-Y114 PolarHBondContact O-N 3Å |
| 112 | P | 79.8 | Confident | 90.4 | Very high | 122 Ų | 122 | 38.1 Ų | 38.1 | 79% | 0.792 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -8.1 | -171.7 | 29.4 | -36.1 | 0 | 0 | 0 | 114 | Y114 | P112-Y114 VanDerWaalsContact C-N 3.29Å; P112-Y114 PolarHBondContact O-N 2.84Å |
| 113 | G | 85.1 | Confident | 90.5 | Very high | 48 Ų | 48 | 37.8 Ų | 37.8 | 50% | 0.495 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.6 | -15.2 | 178 | 0 | 0 | 0 | 0 | 0 | 114.4 | N88 G111 | N88-G113 WeakPolarHBondContact CB-O 3.48Å; G111-G113 PolarHBondContact O-N 3.42Å; G111-G113 VanDerWaalsContact O-N 3.14Å |
| 114 | Y | 90.6 | Very high | 90.6 | Very high | 43 Ų | 43 | 37.9 Ų | 37.9 | 17% | 0.169 | 22% | 0.223 | C | C | . | . | trans | -101.5 | 130.1 | 179.2 | -65.2 | -82.3 | 0 | 0 | 0 | 110.9 | D85 N88 L109 F110 G111 P112 N141 | D85-Y114 WeakPolarHBondContact O-CE1 3.38Å; D85-Y114 PolarHBondContact O-OH 2.94Å; D85-Y114 VanDerWaalsContact O-OH 3.12Å; N88-Y114 VanDerWaalsContact OD1-CE1 3.31Å; N88-Y114 WeakPolarHBondContact OD1-CE1 3.44Å; L109-Y114 HydrophobicContact CB-CD1 4.14Å; L109-Y114 HydrophobicContact CB-CD2 4.45Å; L109-Y114 HydrophobicContact CB-CE1 4.37Å; L109-Y114 HydrophobicContact CB-CG 4.17Å; L109-Y114 HydrophobicContact CD2-CD1 3.79Å; L109-Y114 HydrophobicContact CD2-CE1 3.44Å; L109-Y114 VanDerWaalsContact CD2-CE1 3.44Å; L109-Y114 HydrophobicContact CG-CD1 4.49Å; L109-Y114 HydrophobicContact CG-CE1 4.49Å; F110-Y114 VanDerWaalsContact O-CD2 3.24Å; F110-Y114 WeakPolarHBondContact O-CD2 3.32Å; F110-Y114 VanDerWaalsContact O-CE2 3.25Å; F110-Y114 WeakPolarHBondContact O-CE2 3.46Å; G111-Y114 PolarHBondContact O-N 3Å; P112-Y114 VanDerWaalsContact C-N 3.29Å; P112-Y114 PolarHBondContact O-N 2.84Å; Y114-N141 PolarHBondContact O-ND2 2.97Å | ||
| 115 | S | 89.6 | Confident | 90.7 | Very high | 44 Ų | 44 | 38.6 Ų | 38.6 | 31% | 0.308 | 22% | 0.221 | S | C | . | . | trans | -95.6 | 11.1 | -173 | -51.2 | 0 | 0 | 0 | 0 | 114.3 | N88 L90 V91 T117 | N88-S115 WeakPolarHBondContact O-CB 3.28Å; N88-S115 PolarHBondContact O-N 2.96Å; N88-S115 PolarHBondContact O-OG 3Å; L90-S115 CarbonylContact O-C 3.55Å; V91-S115 WeakPolarHBondContact CA-O 3.5Å; S115-T117 PolarHBondContact O-N 3.08Å; S115-T117 VanDerWaalsContact O-N 3.15Å; S115-T117 PolarHBondContact O-OG1 3.17Å; S115-T117 VanDerWaalsContact O-OG1 3.11Å | ||
| 116 | L | 93 | Very high | 91 | Very high | 5 Ų | 5 | 37.9 Ų | 37.9 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | trans | -70.9 | 111.5 | -167.9 | -170.4 | 64.1 | 0 | 0 | 0 | 111.2 | L90 L93 L106 L109 I119 L139 N141 L142 | L90-L116 HydrophobicContact CD2-CD1 4.05Å; L90-L116 HydrophobicContact CG-CD1 4Å; L90-L116 WeakPolarHBondContact O-CA 3.44Å; L90-L116 PolarHBondContact O-N 3.28Å; L93-L116 HydrophobicContact CB-CD1 3.88Å; L106-L116 HydrophobicContact CD2-CD2 4.44Å; L109-L116 HydrophobicContact CD1-CD2 4.07Å; L116-I119 HydrophobicContact CD1-CG1 4.38Å; L116-I119 HydrophobicContact CD2-CD1 3.65Å; L116-I119 HydrophobicContact CD2-CG1 3.86Å; L116-I119 HydrophobicContact CG-CD1 4.22Å; L116-I119 HydrophobicContact CG-CG1 4.01Å; L116-L139 HydrophobicContact CB-CD2 4.39Å; L116-L139 HydrophobicContact CD2-CD2 4.09Å; L116-N141 CarbonylContact O-C 3.59Å; L116-L142 WeakPolarHBondContact O-CA 3.4Å; L116-L142 PolarHBondContact O-N 3.37Å | ||
| 117 | T | 90.9 | Very high | 91 | Very high | 35 Ų | 35 | 43.5 Ų | 43.5 | 22% | 0.215 | 24% | 0.24 | C | C | . | . | trans | -108.6 | -37.8 | -172.4 | -58.2 | 0 | 0 | 0 | 0 | 112.4 | V91 S115 N141 R143 Q144 | V91-T117 PolarHBondContact O-N 3.22Å; S115-T117 PolarHBondContact O-N 3.08Å; S115-T117 VanDerWaalsContact O-N 3.15Å; S115-T117 PolarHBondContact O-OG1 3.17Å; S115-T117 VanDerWaalsContact O-OG1 3.11Å; T117-N141 WeakPolarHBondContact CA-O 3.4Å; T117-R143 HydrophobicContact CG2-CB 3.78Å; T117-R143 HydrophobicContact CG2-CG 3.74Å; T117-R143 PolarHBondContact O-N 3.42Å; T117-Q144 PolarHBondContact O-N 2.93Å | ||
| 118 | T | 93.2 | Very high | 91.2 | Very high | 3 Ų | 3 | 41.9 Ų | 41.9 | 2% | 0.018 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 125.5 | -175.6 | -55.7 | 0 | 0 | 0 | 0 | 110.5 | V91 R92 L93 I120 Q144 | V91-T118 PolarHBondContact O-N 2.88Å; R92-T118 WeakPolarHBondContact CA-O 3.41Å; R92-T118 HydrophobicContact CG-CG2 4.15Å; L93-T118 PolarHBondContact N-O 3.4Å; T118-I120 HydrophobicContact CG2-CD1 4.36Å; T118-I120 HydrophobicContact CG2-CG1 4.01Å; T118-Q144 WeakPolarHBondContact CA-O 3.29Å; T118-Q144 HydrophobicContact CG2-CB 4.11Å; T118-Q144 HydrophobicContact CG2-CG 4.16Å |
| 119 | I | 95.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 124.2 | 173.3 | -60.1 | 176.5 | 0 | 0 | 0 | 109.4 | L93 L106 L116 L121 L136 L139 L142 Q144 L145 V146 | L93-I119 WeakPolarHBondContact O-CA 3.32Å; L106-I119 HydrophobicContact CD1-CD1 4.13Å; L116-I119 HydrophobicContact CD1-CG1 4.38Å; L116-I119 HydrophobicContact CD2-CD1 3.65Å; L116-I119 HydrophobicContact CD2-CG1 3.86Å; L116-I119 HydrophobicContact CG-CD1 4.22Å; L116-I119 HydrophobicContact CG-CG1 4.01Å; I119-L121 HydrophobicContact CG2-CD1 3.49Å; I119-L121 VanDerWaalsContact CG2-CD1 3.49Å; I119-L121 HydrophobicContact CG2-CG 3.7Å; I119-L136 HydrophobicContact CD1-CD2 4.22Å; I119-L139 HydrophobicContact CD1-CD1 3.81Å; I119-L142 HydrophobicContact CB-CD1 4.19Å; I119-L142 HydrophobicContact CD1-CD1 3.68Å; I119-L142 HydrophobicContact CG1-CD1 3.68Å; I119-Q144 PolarHBondContact N-O 2.95Å; I119-L145 HydrophobicContact CB-CD1 4.1Å; I119-L145 HydrophobicContact CG2-CD1 4.15Å; I119-L145 WeakPolarHBondContact O-CA 3.45Å; I119-V146 PolarHBondContact O-N 2.88Å |
| 120 | I | 95 | Very high | 91.7 | Very high | 8 Ų | 8 | 42.4 Ų | 42.4 | 4% | 0.041 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 117.4 | -179.5 | -55.2 | 177.8 | 0 | 0 | 0 | 107.5 | L93 D94 V95 S96 T118 Q122 V146 I190 | L93-I120 PolarHBondContact O-N 3.31Å; D94-I120 HydrophobicContact CB-CB 4.15Å; D94-I120 HydrophobicContact CB-CD1 4.29Å; D94-I120 WeakPolarHBondContact OD1-CG2 3.31Å; V95-I120 CarbonylContact C-O 3.48Å; V95-I120 WeakPolarHBondContact CG2-O 3.37Å; V95-I120 PolarHBondContact N-O 2.88Å; S96-I120 PolarHBondContact N-O 3.5Å; T118-I120 HydrophobicContact CG2-CD1 4.36Å; T118-I120 HydrophobicContact CG2-CG1 4.01Å; I120-Q122 VanDerWaalsContact CG2-CD 3.49Å; I120-Q122 VanDerWaalsContact CG2-NE2 3.27Å; I120-V146 HydrophobicContact CG2-CB 4.38Å; I120-I190 HydrophobicContact CD1-CD1 3.88Å |
| 121 | L | 96 | Very high | 92.1 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | -135.3 | 4.2 | -166.1 | -88.1 | 167.3 | 0 | 0 | 0 | 113.3 | V95 I100 L103 I119 N124 I126 L145 V146 L147 N156 | V95-L121 HydrophobicContact CG2-CD2 3.45Å; V95-L121 VanDerWaalsContact CG2-CD2 3.45Å; V95-L121 HydrophobicContact CG2-CG 3.97Å; I100-L121 HydrophobicContact CD1-CD2 4.09Å; L103-L121 HydrophobicContact CD1-CD1 4.14Å; L103-L121 HydrophobicContact CD2-CD1 3.91Å; L103-L121 HydrophobicContact CD2-CD2 4.05Å; I119-L121 HydrophobicContact CG2-CD1 3.49Å; I119-L121 VanDerWaalsContact CG2-CD1 3.49Å; I119-L121 HydrophobicContact CG2-CG 3.7Å; L121-N124 WeakPolarHBondContact O-CB 3.44Å; L121-N124 PolarHBondContact O-ND2 3.19Å; L121-I126 HydrophobicContact CD1-CD1 4.15Å; L121-I126 HydrophobicContact CD2-CD1 4.06Å; L121-L145 HydrophobicContact CD1-CD1 4.04Å; L121-V146 CarbonylContact C-O 3.59Å; L121-V146 VanDerWaalsContact CA-O 3.28Å; L121-V146 WeakPolarHBondContact CA-O 3.35Å; L121-V146 WeakPolarHBondContact CB-O 3.5Å; L121-V146 PolarHBondContact N-O 3.09Å; L121-L147 HydrophobicContact CB-CD2 3.95Å; L121-L147 HydrophobicContact CD1-CD2 4.3Å; L121-N156 PolarHBondContact O-ND2 2.91Å | ||
| 122 | Q | 94.7 | Very high | 92.8 | Very high | 16 Ų | 16 | 36.9 Ų | 36.9 | 8% | 0.075 | 22% | 0.22 | C | C | . | . | trans | -56.7 | 152.3 | 178.3 | 69.9 | -82.2 | 2.7 | 0 | 0 | 112.6 | S96 F97 I120 N124 V146 L147 N149 | S96-Q122 CarbonylContact C-O 3.59Å; S96-Q122 WeakPolarHBondContact CA-O 3.45Å; S96-Q122 VanDerWaalsContact CB-CD 3.48Å; S96-Q122 VanDerWaalsContact CB-NE2 3.34Å; S96-Q122 VanDerWaalsContact CB-O 3.28Å; S96-Q122 WeakPolarHBondContact CB-O 3.38Å; F97-Q122 HydrophobicContact CE2-CG 4.23Å; F97-Q122 HydrophobicContact CZ-CG 4.38Å; F97-Q122 PolarHBondContact N-O 3.19Å; I120-Q122 VanDerWaalsContact CG2-CD 3.49Å; I120-Q122 VanDerWaalsContact CG2-NE2 3.27Å; Q122-N124 PolarHBondContact O-N 3.37Å; Q122-V146 PolarHBondContact N-O 2.87Å; Q122-V146 VanDerWaalsContact N-O 3.15Å; Q122-L147 WeakPolarHBondContact CA-O 3.41Å; Q122-N149 HydrophobicContact CG-CB 4.24Å | ||
| 123 | G | 94.6 | Very high | 93.5 | Very high | 20 Ų | 20 | 33.1 Ų | 33.1 | 21% | 0.206 | 19% | 0.193 | C | C | . | . | S | Bend | trans | 66.9 | 32.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114 | F97 N98 | F97-G123 WeakPolarHBondContact CA-O 3.4Å; N98-G123 PolarHBondContact N-O 2.85Å |
| 124 | N | 97.4 | Very high | 93.9 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.011 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -112.5 | -176.9 | 171.7 | -80.7 | -78.9 | 0 | 0 | 0 | 110.9 | V95 N98 I100 L121 Q122 N156 P157 | V95-N124 PolarHBondContact O-ND2 3.18Å; N98-N124 WeakPolarHBondContact CA-OD1 3.37Å; N98-N124 WeakPolarHBondContact CB-OD1 3.36Å; N98-N124 PolarHBondContact N-OD1 2.9Å; N98-N124 PolarHBondContact O-OD1 2.94Å; I100-N124 HydrophobicContact CB-CB 4.21Å; I100-N124 WeakPolarHBondContact CB-OD1 3.41Å; I100-N124 VanDerWaalsContact CG1-OD1 3.3Å; I100-N124 WeakPolarHBondContact CG1-OD1 3.37Å; I100-N124 PolarHBondContact N-OD1 3.41Å; L121-N124 WeakPolarHBondContact O-CB 3.44Å; L121-N124 PolarHBondContact O-ND2 3.19Å; Q122-N124 PolarHBondContact O-N 3.37Å; N124-N156 WeakPolarHBondContact CA-OD1 3.45Å; N124-N156 WeakPolarHBondContact CB-OD1 3.46Å; N124-N156 PolarHBondContact O-OD1 3.25Å; N124-P157 WeakPolarHBondContact O-CD 3.31Å |
| 125 | Q | 95.8 | Very high | 94 | Very high | 97 Ų | 97 | 33 Ų | 33 | 45% | 0.453 | 18% | 0.182 | S | C | . | . | trans | -111.2 | 35.2 | -173.1 | -60 | -64.9 | -2.8 | 0 | 0 | 112.7 | I100 T101 Q127 | I100-Q125 CarbonylContact O-C 3.53Å; I100-Q125 VanDerWaalsContact O-C 3.25Å; I100-Q125 WeakPolarHBondContact O-CA 3.22Å; I100-Q125 PolarHBondContact O-N 3.42Å; T101-Q125 HydrophobicContact CG2-CB 3.95Å; Q125-Q127 PolarHBondContact O-N 3.08Å | ||
| 126 | I | 95.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -79.3 | 121.1 | 179.1 | -55 | 164.1 | 0 | 0 | 0 | 109.7 | I100 L103 L121 I132 L147 N156 P157 V158 | I100-I126 PolarHBondContact O-N 3.42Å; L103-I126 HydrophobicContact CD1-CD1 4.01Å; L103-I126 HydrophobicContact CD2-CD1 3.91Å; L103-I126 HydrophobicContact CG-CD1 4.02Å; L121-I126 HydrophobicContact CD1-CD1 4.15Å; L121-I126 HydrophobicContact CD2-CD1 4.06Å; I126-I132 HydrophobicContact CG2-CD1 3.79Å; I126-I132 HydrophobicContact CG2-CG1 3.73Å; I126-L147 HydrophobicContact CD1-CD2 4.1Å; I126-N156 HydrophobicContact CB-CB 4.25Å; I126-N156 WeakPolarHBondContact CB-OD1 3.35Å; I126-N156 WeakPolarHBondContact CG1-OD1 3.34Å; I126-N156 PolarHBondContact N-OD1 3.25Å; I126-N156 VanDerWaalsContact N-OD1 3.1Å; I126-P157 WeakPolarHBondContact O-CD 3.39Å; I126-V158 WeakPolarHBondContact O-CB 3.45Å; I126-V158 PolarHBondContact O-N 3.4Å | ||
| 127 | Q | 93.1 | Very high | 94.1 | Very high | 118 Ų | 118 | 36 Ų | 36 | 55% | 0.551 | 19% | 0.189 | S | C | * | . | trans | -99.9 | -31.7 | -171 | -62.6 | -74.4 | -17.1 | 0 | 0 | 114 | Q125 P157 | Q125-Q127 PolarHBondContact O-N 3.08Å; Q127-P157 HydrophobicContact CG-CB 4.42Å; Q127-P157 VanDerWaalsContact NE2-CG 3.27Å | ||
| 128 | S | 93 | Very high | 94 | Very high | 47 Ų | 47 | 37.2 Ų | 37.2 | 33% | 0.329 | 19% | 0.194 | S | C | . | . | trans | -115.4 | 126.1 | -165.5 | 174 | 0 | 0 | 0 | 0 | 112.7 | S130 H131 I132 | S128-S130 VanDerWaalsContact C-N 3.34Å; S128-S130 PolarHBondContact OG-N 2.89Å; S128-H131 WeakPolarHBondContact O-CB 3.36Å; S128-H131 PolarHBondContact O-N 2.94Å; S128-H131 PolarHBondContact OG-N 3.43Å; S128-I132 PolarHBondContact O-N 2.67Å | ||
| 129 | K | 93.2 | Very high | 94 | Very high | 50 Ų | 50 | 37.3 Ų | 37.3 | 22% | 0.217 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63 | -39.2 | 172 | 65.4 | -170.3 | 170.4 | 179.6 | 0 | 112.7 | H131 I132 L133 V158 E161 D167 | K129-H131 PolarHBondContact O-N 3.44Å; K129-I132 PolarHBondContact O-N 3.4Å; K129-L133 WeakPolarHBondContact O-CG 3.43Å; K129-L133 PolarHBondContact O-N 3.5Å; K129-V158 HydrophobicContact CB-CG2 3.85Å; K129-V158 VanDerWaalsContact N-CG2 3.27Å; K129-E161 WeakPolarHBondContact CB-OE2 3.36Å; K129-E161 VanDerWaalsContact CD-OE2 3.24Å; K129-E161 WeakPolarHBondContact CD-OE2 3.29Å; K129-E161 WeakPolarHBondContact CG-OE2 3.44Å; K129-E161 PolarHBondContact N-OE2 3.27Å; K129-D167 HydrophobicContact CD-CB 4.23Å; K129-D167 VanDerWaalsContact CD-OD2 3.28Å; K129-D167 WeakPolarHBondContact CD-OD2 3.38Å; K129-D167 WeakPolarHBondContact CE-OD2 3.32Å; K129-D167 IonicContact NZ-OD2 3.49Å; K129-D167 PolarHBondContact NZ-OD2 3.13Å |
| 130 | S | 92.9 | Very high | 93.6 | Very high | 78 Ų | 78 | 40.6 Ų | 40.6 | 55% | 0.545 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.5 | -37.5 | 176.5 | -54.3 | 0 | 0 | 0 | 0 | 111.6 | S128 L133 E134 | S128-S130 VanDerWaalsContact C-N 3.34Å; S128-S130 PolarHBondContact OG-N 2.89Å; S130-L133 PolarHBondContact O-N 3.35Å; S130-E134 WeakPolarHBondContact O-CB 3.45Å; S130-E134 PolarHBondContact O-N 3Å |
| 131 | H | 94.1 | Very high | 93.4 | Very high | 38 Ų | 38 | 42.5 Ų | 42.5 | 18% | 0.176 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.2 | -44.1 | 176.7 | -168.6 | 56.5 | 0 | 0 | 0 | 112.8 | S102 L103 S128 K129 E134 C135 | S102-H131 WeakPolarHBondContact CA-NE2 3.43Å; S102-H131 PolarHBondContact OG-CE1 2.84Å; S102-H131 PolarHBondContact OG-NE2 3.31Å; L103-H131 PolarHBondContact N-NE2 3.47Å; L103-H131 VanDerWaalsContact N-NE2 3.13Å; S128-H131 WeakPolarHBondContact O-CB 3.36Å; S128-H131 PolarHBondContact O-N 2.94Å; S128-H131 PolarHBondContact OG-N 3.43Å; K129-H131 PolarHBondContact O-N 3.44Å; H131-E134 PolarHBondContact O-N 3.45Å; H131-C135 WeakPolarHBondContact O-CB 3.49Å; H131-C135 PolarHBondContact O-N 2.91Å; H131-C135 PolarHBondContact O-SG 2.92Å |
| 132 | I | 95.7 | Very high | 93.2 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.3 | -48.5 | 177.1 | -63.2 | 179.1 | 0 | 0 | 0 | 110.2 | L103 I126 S128 K129 E134 C135 L136 L145 L147 V158 L168 L172 | L103-I132 HydrophobicContact CD1-CG1 4.11Å; I126-I132 HydrophobicContact CG2-CD1 3.79Å; I126-I132 HydrophobicContact CG2-CG1 3.73Å; S128-I132 PolarHBondContact O-N 2.67Å; K129-I132 PolarHBondContact O-N 3.4Å; I132-E134 VanDerWaalsContact C-N 3.35Å; I132-E134 PolarHBondContact O-N 3.4Å; I132-C135 PolarHBondContact O-N 2.85Å; I132-L136 HydrophobicContact CG2-CD1 3.58Å; I132-L136 HydrophobicContact CG2-CG 4.13Å; I132-L136 WeakPolarHBondContact O-CB 3.41Å; I132-L136 WeakPolarHBondContact O-CG 3.48Å; I132-L136 PolarHBondContact O-N 3.33Å; I132-L145 HydrophobicContact CG2-CD2 4.3Å; I132-L147 HydrophobicContact CD1-CD1 3.66Å; I132-L147 HydrophobicContact CD1-CD2 3.96Å; I132-L147 HydrophobicContact CD1-CG 4.49Å; I132-V158 HydrophobicContact CD1-CB 4.41Å; I132-V158 HydrophobicContact CD1-CG1 3.8Å; I132-V158 HydrophobicContact CD1-CG2 4.13Å; I132-L168 HydrophobicContact CB-CD2 3.94Å; I132-L168 HydrophobicContact CD1-CD1 4.46Å; I132-L168 HydrophobicContact CG2-CD1 4.49Å; I132-L168 HydrophobicContact CG2-CD2 3.67Å; I132-L172 HydrophobicContact CG2-CD1 4.48Å |
| 133 | L | 94.7 | Very high | 93 | Very high | 43 Ų | 43 | 45.7 Ų | 45.7 | 23% | 0.225 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.5 | -45.9 | 177.9 | -67.7 | -179.2 | 0 | 0 | 0 | 111.7 | K129 S130 C135 K137 L168 L172 | K129-L133 WeakPolarHBondContact O-CG 3.43Å; K129-L133 PolarHBondContact O-N 3.5Å; S130-L133 PolarHBondContact O-N 3.35Å; L133-C135 VanDerWaalsContact C-N 3.34Å; L133-C135 PolarHBondContact O-N 3.42Å; L133-K137 WeakPolarHBondContact O-CB 3.48Å; L133-K137 WeakPolarHBondContact O-CG 3.25Å; L133-K137 PolarHBondContact O-N 3.27Å; L133-K137 VanDerWaalsContact O-N 3.11Å; L133-L168 HydrophobicContact CD2-CD2 3.77Å; L133-L168 HydrophobicContact CG-CD2 4Å; L133-L172 HydrophobicContact CD2-CD1 4.3Å; L133-L172 HydrophobicContact CD2-CD2 4.2Å; L133-L172 HydrophobicContact CD2-CG 3.72Å |
| 134 | E | 92.7 | Very high | 93 | Very high | 88 Ų | 88 | 45 Ų | 45 | 41% | 0.411 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.8 | -41 | 180 | -167.1 | -168.9 | 156 | 0 | 0 | 112.5 | K107 S130 H131 I132 | K107-E134 IonicContact NZ-OE1 3.64Å; K107-E134 PolarHBondContact NZ-OE1 2.94Å; S130-E134 WeakPolarHBondContact O-CB 3.45Å; S130-E134 PolarHBondContact O-N 3Å; H131-E134 PolarHBondContact O-N 3.45Å; I132-E134 VanDerWaalsContact C-N 3.35Å; I132-E134 PolarHBondContact O-N 3.4Å |
| 135 | C | 93.9 | Very high | 92.8 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.007 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -80.1 | -35.3 | -175.3 | -64.1 | 0 | 0 | 0 | 0 | 113 | L103 H131 I132 L133 | L103-C135 VanDerWaalsContact C-SG 3.57Å; L103-C135 HydrophobicContact CB-CB 3.71Å; H131-C135 WeakPolarHBondContact O-CB 3.49Å; H131-C135 PolarHBondContact O-N 2.91Å; H131-C135 PolarHBondContact O-SG 2.92Å; I132-C135 PolarHBondContact O-N 2.85Å; L133-C135 VanDerWaalsContact C-N 3.34Å; L133-C135 PolarHBondContact O-N 3.42Å |
| 136 | L | 94.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -97.8 | -15.4 | -172.7 | -55.8 | -173 | 0 | 0 | 0 | 114.5 | L103 L106 I119 I132 N138 L139 L142 L145 L172 Q174 | L103-L136 HydrophobicContact CD1-CD2 4.31Å; L103-L136 HydrophobicContact CD1-CG 4.4Å; L106-L136 HydrophobicContact CB-CD2 4.24Å; L106-L136 HydrophobicContact CD1-CD2 3.51Å; I119-L136 HydrophobicContact CD1-CD2 4.22Å; I132-L136 HydrophobicContact CG2-CD1 3.58Å; I132-L136 HydrophobicContact CG2-CG 4.13Å; I132-L136 WeakPolarHBondContact O-CB 3.41Å; I132-L136 WeakPolarHBondContact O-CG 3.48Å; I132-L136 PolarHBondContact O-N 3.33Å; L136-N138 PolarHBondContact O-N 3.03Å; L136-L139 HydrophobicContact CB-CD1 4.29Å; L136-L139 HydrophobicContact CD2-CD1 3.51Å; L136-L139 HydrophobicContact CG-CD1 4.47Å; L136-L139 WeakPolarHBondContact O-CB 3.43Å; L136-L139 PolarHBondContact O-N 2.97Å; L136-L142 HydrophobicContact CB-CD2 4.18Å; L136-L142 HydrophobicContact CD1-CD2 4.09Å; L136-L145 HydrophobicContact CD1-CD1 4.08Å; L136-L145 HydrophobicContact CD1-CD2 3.73Å; L136-L172 HydrophobicContact CB-CD1 4.04Å; L136-L172 HydrophobicContact CB-CD2 3.96Å; L136-L172 HydrophobicContact CD1-CD1 4.23Å; L136-Q174 PolarHBondContact O-NE2 3.41Å; L136-Q174 VanDerWaalsContact O-NE2 3.15Å |
| 137 | K | 89.9 | Confident | 92.7 | Very high | 111 Ų | 111 | 40.3 Ų | 40.3 | 48% | 0.483 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -29.2 | -177.5 | 64.2 | -179.5 | -174.6 | -180 | 0 | 114.9 | L133 L172 | L133-K137 WeakPolarHBondContact O-CB 3.48Å; L133-K137 WeakPolarHBondContact O-CG 3.25Å; L133-K137 PolarHBondContact O-N 3.27Å; L133-K137 VanDerWaalsContact O-N 3.11Å; K137-L172 HydrophobicContact CB-CD2 4.29Å |
| 138 | N | 89 | Confident | 92.7 | Very high | 61 Ų | 61 | 36.7 Ų | 36.7 | 33% | 0.326 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -6.4 | -176.1 | -67.2 | -23.8 | 0 | 0 | 0 | 113.6 | F110 L136 V140 | F110-N138 HydrophobicContact CB-CB 3.88Å; L136-N138 PolarHBondContact O-N 3.03Å; N138-V140 VanDerWaalsContact C-N 3.32Å; N138-V140 PolarHBondContact O-N 3.37Å |
| 139 | L | 92 | Very high | 92.4 | Very high | 5 Ų | 5 | 35.7 Ų | 35.7 | 3% | 0.026 | 18% | 0.181 | C | C | . | . | trans | -79.4 | 81.1 | 174.9 | -71.5 | 165.2 | 0 | 0 | 0 | 109.5 | L106 L109 L116 I119 L136 N141 L142 Q174 | L106-L139 HydrophobicContact CB-CD1 4.49Å; L109-L139 HydrophobicContact CB-CD2 3.65Å; L109-L139 HydrophobicContact CD1-CD2 4.39Å; L109-L139 VanDerWaalsContact O-CD2 3.32Å; L109-L139 WeakPolarHBondContact O-CD2 3.48Å; L116-L139 HydrophobicContact CB-CD2 4.39Å; L116-L139 HydrophobicContact CD2-CD2 4.09Å; I119-L139 HydrophobicContact CD1-CD1 3.81Å; L136-L139 HydrophobicContact CB-CD1 4.29Å; L136-L139 HydrophobicContact CD2-CD1 3.51Å; L136-L139 HydrophobicContact CG-CD1 4.47Å; L136-L139 WeakPolarHBondContact O-CB 3.43Å; L136-L139 PolarHBondContact O-N 2.97Å; L139-N141 PolarHBondContact O-N 2.85Å; L139-N141 VanDerWaalsContact O-N 3.17Å; L139-L142 HydrophobicContact CB-CB 3.88Å; L139-L142 HydrophobicContact CD1-CD2 4.37Å; L139-L142 VanDerWaalsContact O-CB 3.3Å; L139-L142 WeakPolarHBondContact O-CB 3.44Å; L139-L142 PolarHBondContact O-N 3.36Å; L139-L142 VanDerWaalsContact O-N 3.09Å; L139-Q174 PolarHBondContact O-NE2 2.92Å | ||
| 140 | V | 87.7 | Confident | 91.7 | Very high | 69 Ų | 69 | 37.3 Ų | 37.3 | 42% | 0.418 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -25.9 | -173 | -63.3 | 0 | 0 | 0 | 0 | 114.3 | N138 R143 | N138-V140 VanDerWaalsContact C-N 3.32Å; N138-V140 PolarHBondContact O-N 3.37Å; V140-R143 PolarHBondContact O-NH1 3.49Å |
| 141 | N | 89.6 | Confident | 91 | Very high | 49 Ų | 49 | 42.1 Ų | 42.1 | 26% | 0.262 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -4.1 | -179.4 | -70.3 | -36.3 | 0 | 0 | 0 | 113.4 | Y114 L116 T117 L139 R143 | Y114-N141 PolarHBondContact O-ND2 2.97Å; L116-N141 CarbonylContact O-C 3.59Å; T117-N141 WeakPolarHBondContact CA-O 3.4Å; L139-N141 PolarHBondContact O-N 2.85Å; L139-N141 VanDerWaalsContact O-N 3.17Å; N141-R143 VanDerWaalsContact C-NH1 3.31Å; N141-R143 PolarHBondContact O-N 2.86Å; N141-R143 PolarHBondContact O-NH1 3.33Å |
| 142 | L | 93 | Very high | 90.3 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -63.3 | 122.2 | 178.1 | -174.6 | 67.4 | 0 | 0 | 0 | 109.6 | L116 I119 L136 L139 Q174 L175 | L116-L142 WeakPolarHBondContact O-CA 3.4Å; L116-L142 PolarHBondContact O-N 3.37Å; I119-L142 HydrophobicContact CB-CD1 4.19Å; I119-L142 HydrophobicContact CD1-CD1 3.68Å; I119-L142 HydrophobicContact CG1-CD1 3.68Å; L136-L142 HydrophobicContact CB-CD2 4.18Å; L136-L142 HydrophobicContact CD1-CD2 4.09Å; L139-L142 HydrophobicContact CB-CB 3.88Å; L139-L142 HydrophobicContact CD1-CD2 4.37Å; L139-L142 VanDerWaalsContact O-CB 3.3Å; L139-L142 WeakPolarHBondContact O-CB 3.44Å; L139-L142 PolarHBondContact O-N 3.36Å; L139-L142 VanDerWaalsContact O-N 3.09Å; L142-Q174 HydrophobicContact CB-CG 4.26Å; L142-Q174 CarbonylContact O-C 3.31Å; L142-Q174 VanDerWaalsContact O-CG 3.29Å; L142-Q174 WeakPolarHBondContact O-CG 3.46Å; L142-L175 HydrophobicContact CD2-CD1 4.24Å; L142-L175 HydrophobicContact CG-CD1 4.05Å | ||
| 143 | R | 91.2 | Very high | 89.7 | Confident | 82 Ų | 82 | 46.5 Ų | 46.5 | 31% | 0.309 | 25% | 0.249 | S | C | . | . | trans | -117.1 | -32.7 | 176.6 | -61.7 | -58.8 | -173.9 | -90.4 | -8.1 | 112.2 | T117 V140 N141 L175 E176 I177 | T117-R143 HydrophobicContact CG2-CB 3.78Å; T117-R143 HydrophobicContact CG2-CG 3.74Å; T117-R143 PolarHBondContact O-N 3.42Å; V140-R143 PolarHBondContact O-NH1 3.49Å; N141-R143 VanDerWaalsContact C-NH1 3.31Å; N141-R143 PolarHBondContact O-N 2.86Å; N141-R143 PolarHBondContact O-NH1 3.33Å; R143-L175 WeakPolarHBondContact O-CD1 3.31Å; R143-E176 VanDerWaalsContact CD-OE1 3.28Å; R143-E176 WeakPolarHBondContact CD-OE1 3.37Å; R143-E176 IonicContact NE-OE1 3.8Å; R143-E176 PolarHBondContact NE-OE1 3.31Å; R143-E176 WeakPolarHBondContact O-CA 3.34Å; R143-E176 PolarHBondContact O-N 3.38Å; R143-I177 PolarHBondContact O-N 3.17Å | ||
| 144 | Q | 92.9 | Very high | 89.3 | Confident | 7 Ų | 7 | 47 Ų | 47 | 3% | 0.033 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 130.7 | -175.8 | -175 | 168.7 | 24.6 | 0 | 0 | 112.1 | T117 T118 I119 V146 I177 | T117-Q144 PolarHBondContact O-N 2.93Å; T118-Q144 WeakPolarHBondContact CA-O 3.29Å; T118-Q144 HydrophobicContact CG2-CB 4.11Å; T118-Q144 HydrophobicContact CG2-CG 4.16Å; I119-Q144 PolarHBondContact N-O 2.95Å; Q144-V146 HydrophobicContact CG-CG2 4.42Å; Q144-I177 WeakPolarHBondContact CA-O 3.37Å; Q144-I177 HydrophobicContact CB-CB 4.33Å; Q144-I177 HydrophobicContact CG-CB 4.03Å; Q144-I177 HydrophobicContact CG-CG2 4.08Å |
| 145 | L | 95.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 128.8 | 177.2 | 178.9 | 62.1 | 0 | 0 | 0 | 108.7 | I119 L121 I132 L136 L147 L172 L175 I177 L178 D179 | I119-L145 HydrophobicContact CB-CD1 4.1Å; I119-L145 HydrophobicContact CG2-CD1 4.15Å; I119-L145 WeakPolarHBondContact O-CA 3.45Å; L121-L145 HydrophobicContact CD1-CD1 4.04Å; I132-L145 HydrophobicContact CG2-CD2 4.3Å; L136-L145 HydrophobicContact CD1-CD1 4.08Å; L136-L145 HydrophobicContact CD1-CD2 3.73Å; L145-L147 HydrophobicContact CD1-CG 4.34Å; L145-L147 HydrophobicContact CD2-CD1 3.91Å; L145-L147 HydrophobicContact CD2-CG 4.28Å; L145-L147 HydrophobicContact CG-CD1 4.23Å; L145-L147 HydrophobicContact CG-CG 4.09Å; L145-L172 HydrophobicContact CD2-CD1 4.43Å; L145-L175 HydrophobicContact CB-CD1 3.52Å; L145-L175 HydrophobicContact CB-CD2 3.97Å; L145-L175 HydrophobicContact CB-CG 4.39Å; L145-L175 HydrophobicContact CD2-CD2 4.22Å; L145-I177 PolarHBondContact N-O 3.43Å; L145-L178 HydrophobicContact CB-CD1 4.15Å; L145-L178 HydrophobicContact CD2-CD1 4.08Å; L145-L178 HydrophobicContact CG-CD1 4.08Å; L145-L178 CarbonylContact O-C 3.35Å; L145-L178 VanDerWaalsContact O-CA 3.28Å; L145-L178 WeakPolarHBondContact O-CA 3.41Å; L145-D179 PolarHBondContact O-N 3.4Å |
| 146 | V | 94 | Very high | 89.2 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 109.6 | 175.5 | -173.3 | 0 | 0 | 0 | 0 | 108.2 | I119 I120 L121 Q122 Q144 | I119-V146 PolarHBondContact O-N 2.88Å; I120-V146 HydrophobicContact CG2-CB 4.38Å; L121-V146 CarbonylContact C-O 3.59Å; L121-V146 VanDerWaalsContact CA-O 3.28Å; L121-V146 WeakPolarHBondContact CA-O 3.35Å; L121-V146 WeakPolarHBondContact CB-O 3.5Å; L121-V146 PolarHBondContact N-O 3.09Å; Q122-V146 PolarHBondContact N-O 2.87Å; Q122-V146 VanDerWaalsContact N-O 3.15Å; Q144-V146 HydrophobicContact CG-CG2 4.42Å |
| 147 | L | 95.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -107.7 | -24.6 | 175.2 | -70 | 163.7 | 0 | 0 | 0 | 112.1 | L121 Q122 I126 I132 L145 S155 N156 L168 L178 D179 | L121-L147 HydrophobicContact CB-CD2 3.95Å; L121-L147 HydrophobicContact CD1-CD2 4.3Å; Q122-L147 WeakPolarHBondContact CA-O 3.41Å; I126-L147 HydrophobicContact CD1-CD2 4.1Å; I132-L147 HydrophobicContact CD1-CD1 3.66Å; I132-L147 HydrophobicContact CD1-CD2 3.96Å; I132-L147 HydrophobicContact CD1-CG 4.49Å; L145-L147 HydrophobicContact CD1-CG 4.34Å; L145-L147 HydrophobicContact CD2-CD1 3.91Å; L145-L147 HydrophobicContact CD2-CG 4.28Å; L145-L147 HydrophobicContact CG-CD1 4.23Å; L145-L147 HydrophobicContact CG-CG 4.09Å; L147-S155 WeakPolarHBondContact O-CA 3.47Å; L147-N156 PolarHBondContact O-N 3.33Å; L147-N156 VanDerWaalsContact O-N 3.11Å; L147-N156 PolarHBondContact O-ND2 3.23Å; L147-L168 HydrophobicContact CD1-CD1 3.45Å; L147-L168 VanDerWaalsContact CD1-CD1 3.45Å; L147-L178 HydrophobicContact CD1-CD1 4.26Å; L147-D179 WeakPolarHBondContact CA-OD1 3.41Å; L147-D179 PolarHBondContact N-OD1 3.23Å |
| 148 | L | 92.8 | Very high | 89.3 | Confident | 41 Ų | 41 | 41.3 Ų | 41.3 | 22% | 0.215 | 24% | 0.236 | C | C | . | . | B | Isolated β-bridge | trans | -130.7 | 131.2 | 178.5 | 164.3 | 68.2 | 0 | 0 | 0 | 108.8 | D154 C159 D179 | L148-D154 WeakPolarHBondContact CA-O 3.35Å; L148-C159 HydrophobicContact CB-CB 4.39Å; L148-D179 HydrophobicContact CB-CB 4.27Å; L148-D179 PolarHBondContact N-OD1 2.97Å; L148-D179 VanDerWaalsContact O-CB 3.31Å; L148-D179 WeakPolarHBondContact O-CB 3.32Å |
| 149 | N | 85.9 | Confident | 89.5 | Confident | 26 Ų | 26 | 39.3 Ų | 39.3 | 14% | 0.139 | 23% | 0.226 | C | C | . | . | trans | -101 | 109 | 163 | -175.6 | -15.6 | 0 | 0 | 0 | 109.2 | Q122 Q151 T152 G153 D154 | Q122-N149 HydrophobicContact CG-CB 4.24Å; N149-Q151 PolarHBondContact O-N 2.72Å; N149-Q151 WeakPolarHBondContact OD1-CB 3.35Å; N149-Q151 PolarHBondContact OD1-N 2.94Å; N149-T152 WeakPolarHBondContact CB-OG1 3.35Å; N149-T152 PolarHBondContact O-N 3.03Å; N149-G153 WeakPolarHBondContact O-CA 3.37Å; N149-G153 PolarHBondContact O-N 3.25Å; N149-D154 PolarHBondContact N-O 2.93Å | ||
| 150 | P | 79.4 | Confident | 89.4 | Confident | 85 Ų | 85 | 44 Ų | 44 | 55% | 0.552 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -20.8 | -177 | 25.5 | -32.2 | 0 | 0 | 0 | 113.4 | ||
| 151 | Q | 77.3 | Confident | 89.5 | Confident | 179 Ų | 179 | 44 Ų | 44 | 84% | 0.836 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | -38.4 | 179.1 | -62.5 | -176.3 | -6.3 | 0 | 0 | 112.2 | N149 | N149-Q151 PolarHBondContact O-N 2.72Å; N149-Q151 WeakPolarHBondContact OD1-CB 3.35Å; N149-Q151 PolarHBondContact OD1-N 2.94Å |
| 152 | T | 80.1 | Confident | 89.4 | Confident | 80 Ų | 80 | 46.4 Ų | 46.4 | 49% | 0.491 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -19.4 | -178 | 64.3 | 0 | 0 | 0 | 0 | 112.7 | N149 D154 | N149-T152 WeakPolarHBondContact CB-OG1 3.35Å; N149-T152 PolarHBondContact O-N 3.03Å; T152-D154 WeakPolarHBondContact CB-OD2 3.3Å; T152-D154 PolarHBondContact O-N 3.31Å; T152-D154 WeakPolarHBondContact OG1-CB 3.32Å; T152-D154 VanDerWaalsContact OG1-CG 3.31Å; T152-D154 PolarHBondContact OG1-N 3.5Å; T152-D154 PolarHBondContact OG1-OD2 3.35Å |
| 153 | G | 82.2 | Confident | 89.3 | Confident | 49 Ų | 49 | 51.7 Ų | 51.7 | 51% | 0.505 | 30% | 0.3 | S | S | . | . | trans | 79.9 | -1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | N149 S155 | N149-G153 WeakPolarHBondContact O-CA 3.37Å; N149-G153 PolarHBondContact O-N 3.25Å; G153-S155 PolarHBondContact O-N 2.89Å | ||
| 154 | D | 86.6 | Confident | 89.4 | Confident | 54 Ų | 54 | 48.8 Ų | 48.8 | 29% | 0.289 | 29% | 0.289 | S | S | . | . | trans | -69.9 | 120.6 | 179.1 | -61.3 | -58.7 | 0 | 0 | 0 | 110 | F97 L148 N149 T152 | F97-D154 HydrophobicContact CE1-CB 3.77Å; F97-D154 VanDerWaalsContact CE1-OD2 3.23Å; F97-D154 WeakPolarHBondContact CE1-OD2 3.34Å; F97-D154 HydrophobicContact CZ-CB 3.98Å; F97-D154 WeakPolarHBondContact CZ-OD2 3.43Å; L148-D154 WeakPolarHBondContact CA-O 3.35Å; N149-D154 PolarHBondContact N-O 2.93Å; T152-D154 WeakPolarHBondContact CB-OD2 3.3Å; T152-D154 PolarHBondContact O-N 3.31Å; T152-D154 WeakPolarHBondContact OG1-CB 3.32Å; T152-D154 VanDerWaalsContact OG1-CG 3.31Å; T152-D154 PolarHBondContact OG1-N 3.5Å; T152-D154 PolarHBondContact OG1-OD2 3.35Å | ||
| 155 | S | 90.7 | Very high | 89.4 | Confident | 44 Ų | 44 | 51.4 Ų | 51.4 | 31% | 0.308 | 30% | 0.299 | S | S | . | . | B | Isolated β-bridge | trans | -141.5 | 165 | -171.2 | 63.7 | 0 | 0 | 0 | 0 | 111.4 | L147 G153 | L147-S155 WeakPolarHBondContact O-CA 3.47Å; G153-S155 PolarHBondContact O-N 2.89Å |
| 156 | N | 94.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 32% | 0.322 | C | S | . | . | trans | -91.4 | 148.6 | 163.5 | -76.8 | -98.3 | 0 | 0 | 0 | 109 | L121 N124 I126 L147 V158 C159 | L121-N156 PolarHBondContact O-ND2 2.91Å; N124-N156 WeakPolarHBondContact CA-OD1 3.45Å; N124-N156 WeakPolarHBondContact CB-OD1 3.46Å; N124-N156 PolarHBondContact O-OD1 3.25Å; I126-N156 HydrophobicContact CB-CB 4.25Å; I126-N156 WeakPolarHBondContact CB-OD1 3.35Å; I126-N156 WeakPolarHBondContact CG1-OD1 3.34Å; I126-N156 PolarHBondContact N-OD1 3.25Å; I126-N156 VanDerWaalsContact N-OD1 3.1Å; L147-N156 PolarHBondContact O-N 3.33Å; L147-N156 VanDerWaalsContact O-N 3.11Å; L147-N156 PolarHBondContact O-ND2 3.23Å; N156-V158 HydrophobicContact CB-CG1 3.72Å; N156-V158 PolarHBondContact O-N 2.85Å; N156-C159 WeakPolarHBondContact O-CB 3.49Å; N156-C159 PolarHBondContact O-N 3.06Å; N156-C159 PolarHBondContact O-SG 3.48Å | ||
| 157 | P | 93.7 | Very high | 89.2 | Confident | 37 Ų | 37 | 57.9 Ų | 57.9 | 24% | 0.24 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -52.1 | -30.8 | 175.6 | -32 | 38.9 | 0 | 0 | 0 | 114.8 | N124 I126 Q127 C159 C160 | N124-P157 WeakPolarHBondContact O-CD 3.31Å; I126-P157 WeakPolarHBondContact O-CD 3.39Å; Q127-P157 HydrophobicContact CG-CB 4.42Å; Q127-P157 VanDerWaalsContact NE2-CG 3.27Å; P157-C159 PolarHBondContact O-N 3.15Å; P157-C160 WeakPolarHBondContact O-CB 3.41Å; P157-C160 PolarHBondContact O-N 3.11Å; P157-C160 VanDerWaalsContact O-N 3.11Å |
| 158 | V | 93.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -57.8 | -28.4 | 172.5 | 70.2 | 0 | 0 | 0 | 0 | 113.9 | I126 K129 I132 N156 C160 E161 Y164 | I126-V158 WeakPolarHBondContact O-CB 3.45Å; I126-V158 PolarHBondContact O-N 3.4Å; K129-V158 HydrophobicContact CB-CG2 3.85Å; K129-V158 VanDerWaalsContact N-CG2 3.27Å; I132-V158 HydrophobicContact CD1-CB 4.41Å; I132-V158 HydrophobicContact CD1-CG1 3.8Å; I132-V158 HydrophobicContact CD1-CG2 4.13Å; N156-V158 HydrophobicContact CB-CG1 3.72Å; N156-V158 PolarHBondContact O-N 2.85Å; V158-C160 PolarHBondContact O-N 3.48Å; V158-E161 WeakPolarHBondContact O-CB 3.21Å; V158-E161 PolarHBondContact O-N 3.13Å; V158-Y164 WeakPolarHBondContact O-CB 3.49Å |
| 159 | C | 91.4 | Very high | 89.2 | Confident | 18 Ų | 18 | 57.1 Ų | 57.1 | 12% | 0.122 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -68.2 | -16.3 | 179.3 | -59.3 | 0 | 0 | 0 | 0 | 112.3 | L148 N156 P157 Y164 | L148-C159 HydrophobicContact CB-CB 4.39Å; N156-C159 WeakPolarHBondContact O-CB 3.49Å; N156-C159 PolarHBondContact O-N 3.06Å; N156-C159 PolarHBondContact O-SG 3.48Å; P157-C159 PolarHBondContact O-N 3.15Å; C159-Y164 HydrophobicContact CB-CD1 4.43Å; C159-Y164 HydrophobicContact CB-CE1 4.06Å; C159-Y164 HydrophobicContact CB-CE2 4.49Å; C159-Y164 WeakPolarHBondContact O-CD1 3.37Å; C159-Y164 WeakPolarHBondContact O-CE1 3.48Å |
| 160 | C | 90.3 | Very high | 89.4 | Confident | 104 Ų | 104 | 62.6 Ų | 62.6 | 70% | 0.703 | 35% | 0.354 | S | S | * | . | G | 310 helix | trans | -85.2 | -8.9 | 172.7 | -59.2 | 0 | 0 | 0 | 0 | 112.9 | P157 V158 | P157-C160 WeakPolarHBondContact O-CB 3.41Å; P157-C160 PolarHBondContact O-N 3.11Å; P157-C160 VanDerWaalsContact O-N 3.11Å; V158-C160 PolarHBondContact O-N 3.48Å |
| 161 | E | 91 | Very high | 90 | Very high | 69 Ų | 69 | 60.1 Ų | 60.1 | 32% | 0.322 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -68.3 | 139 | 174.3 | -67.9 | -156.7 | 121.3 | 0 | 0 | 110.6 | K129 V158 D163 Y164 | K129-E161 WeakPolarHBondContact CB-OE2 3.36Å; K129-E161 VanDerWaalsContact CD-OE2 3.24Å; K129-E161 WeakPolarHBondContact CD-OE2 3.29Å; K129-E161 WeakPolarHBondContact CG-OE2 3.44Å; K129-E161 PolarHBondContact N-OE2 3.27Å; V158-E161 WeakPolarHBondContact O-CB 3.21Å; V158-E161 PolarHBondContact O-N 3.13Å; E161-D163 PolarHBondContact O-N 2.95Å; E161-Y164 PolarHBondContact O-N 3.49Å |
| 162 | P | 87.4 | Confident | 90.8 | Very high | 99 Ų | 99 | 51.6 Ų | 51.6 | 64% | 0.643 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 139.3 | 171.9 | -22.8 | 32.4 | 0 | 0 | 0 | 111 | Y164 | P162-Y164 PolarHBondContact O-N 2.86Å; P162-Y164 VanDerWaalsContact O-N 3.07Å |
| 163 | D | 89.8 | Confident | 91.2 | Very high | 112 Ų | 112 | 52.2 Ų | 52.2 | 60% | 0.599 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58 | 17.2 | 177.7 | -56.7 | -43.6 | 0 | 0 | 0 | 115.3 | E161 R165 L166 D167 | E161-D163 PolarHBondContact O-N 2.95Å; D163-R165 VanDerWaalsContact C-N 3.26Å; D163-R165 PolarHBondContact O-N 3.29Å; D163-R165 VanDerWaalsContact O-N 3.11Å; D163-L166 HydrophobicContact CB-CB 4.32Å; D163-L166 WeakPolarHBondContact O-CB 3.49Å; D163-L166 PolarHBondContact O-N 3.33Å; D163-D167 PolarHBondContact O-N 2.94Å |
| 164 | Y | 94 | Very high | 91.6 | Very high | 20 Ų | 20 | 51.3 Ų | 51.3 | 8% | 0.078 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -52.4 | -43.4 | -175.5 | 93.3 | -91.8 | 0 | 0 | 0 | 112.6 | V158 C159 E161 P162 L166 D167 L168 L178 D179 | V158-Y164 WeakPolarHBondContact O-CB 3.49Å; C159-Y164 HydrophobicContact CB-CD1 4.43Å; C159-Y164 HydrophobicContact CB-CE1 4.06Å; C159-Y164 HydrophobicContact CB-CE2 4.49Å; C159-Y164 WeakPolarHBondContact O-CD1 3.37Å; C159-Y164 WeakPolarHBondContact O-CE1 3.48Å; E161-Y164 PolarHBondContact O-N 3.49Å; P162-Y164 PolarHBondContact O-N 2.86Å; P162-Y164 VanDerWaalsContact O-N 3.07Å; Y164-L166 PolarHBondContact O-N 2.92Å; Y164-D167 PolarHBondContact O-N 2.72Å; Y164-L168 HydrophobicContact CD2-CD1 3.89Å; Y164-L168 HydrophobicContact CE2-CD1 4.39Å; Y164-L168 WeakPolarHBondContact O-CB 3.34Å; Y164-L168 VanDerWaalsContact O-CG 3.24Å; Y164-L168 WeakPolarHBondContact O-CG 3.48Å; Y164-L168 PolarHBondContact O-N 3.27Å; Y164-L178 HydrophobicContact CE2-CD2 4.26Å; Y164-D179 WeakPolarHBondContact CE2-OD2 3.28Å; Y164-D179 PolarHBondContact OH-OD2 2.91Å |
| 165 | R | 92.6 | Very high | 92 | Very high | 63 Ų | 63 | 48.8 Ų | 48.8 | 24% | 0.238 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.8 | -45 | 179.1 | -71.3 | -173.9 | 57.8 | 78.3 | 2.3 | 111.6 | D163 L169 L178 D179 V181 | D163-R165 VanDerWaalsContact C-N 3.26Å; D163-R165 PolarHBondContact O-N 3.29Å; D163-R165 VanDerWaalsContact O-N 3.11Å; R165-L169 WeakPolarHBondContact O-CB 3.41Å; R165-L169 VanDerWaalsContact O-CG 3.28Å; R165-L169 WeakPolarHBondContact O-CG 3.34Å; R165-L169 PolarHBondContact O-N 3.09Å; R165-L178 HydrophobicContact CB-CD2 4.09Å; R165-L178 HydrophobicContact CG-CD2 4.04Å; R165-L178 PolarHBondContact NH1-O 2.94Å; R165-L178 PolarHBondContact NH2-O 3.4Å; R165-D179 IonicContact NH1-OD2 2.87Å; R165-D179 PolarHBondContact NH1-OD2 3.5Å; R165-V181 PolarHBondContact NH2-O 3.38Å |
| 166 | L | 91.2 | Very high | 91.9 | Very high | 92 Ų | 92 | 51.7 Ų | 51.7 | 48% | 0.482 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.6 | -46.5 | -178.2 | -176.1 | 64 | 0 | 0 | 0 | 109.9 | D163 Y164 L169 Q170 | D163-L166 HydrophobicContact CB-CB 4.32Å; D163-L166 WeakPolarHBondContact O-CB 3.49Å; D163-L166 PolarHBondContact O-N 3.33Å; Y164-L166 PolarHBondContact O-N 2.92Å; L166-L169 PolarHBondContact O-N 3.37Å; L166-Q170 WeakPolarHBondContact O-CB 3.5Å; L166-Q170 WeakPolarHBondContact O-CG 3.33Å; L166-Q170 PolarHBondContact O-N 3.45Å |
| 167 | D | 94 | Very high | 91.8 | Very high | 44 Ų | 44 | 53 Ų | 53 | 24% | 0.235 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 178.7 | -72.1 | -18.3 | 0 | 0 | 0 | 112.3 | K129 D163 Y164 G171 | K129-D167 HydrophobicContact CD-CB 4.23Å; K129-D167 VanDerWaalsContact CD-OD2 3.28Å; K129-D167 WeakPolarHBondContact CD-OD2 3.38Å; K129-D167 WeakPolarHBondContact CE-OD2 3.32Å; K129-D167 IonicContact NZ-OD2 3.49Å; K129-D167 PolarHBondContact NZ-OD2 3.13Å; D163-D167 PolarHBondContact O-N 2.94Å; Y164-D167 PolarHBondContact O-N 2.72Å; D167-G171 PolarHBondContact O-N 2.88Å |
| 168 | L | 94.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68.3 | -43.2 | 177.1 | -70.3 | -175.5 | 0 | 0 | 0 | 112.1 | I132 L133 L147 Y164 G171 L172 L178 | I132-L168 HydrophobicContact CB-CD2 3.94Å; I132-L168 HydrophobicContact CD1-CD1 4.46Å; I132-L168 HydrophobicContact CG2-CD1 4.49Å; I132-L168 HydrophobicContact CG2-CD2 3.67Å; L133-L168 HydrophobicContact CD2-CD2 3.77Å; L133-L168 HydrophobicContact CG-CD2 4Å; L147-L168 HydrophobicContact CD1-CD1 3.45Å; L147-L168 VanDerWaalsContact CD1-CD1 3.45Å; Y164-L168 HydrophobicContact CD2-CD1 3.89Å; Y164-L168 HydrophobicContact CE2-CD1 4.39Å; Y164-L168 WeakPolarHBondContact O-CB 3.34Å; Y164-L168 VanDerWaalsContact O-CG 3.24Å; Y164-L168 WeakPolarHBondContact O-CG 3.48Å; Y164-L168 PolarHBondContact O-N 3.27Å; L168-G171 PolarHBondContact O-N 3.38Å; L168-L172 VanDerWaalsContact O-CB 3.27Å; L168-L172 WeakPolarHBondContact O-CB 3.43Å; L168-L172 PolarHBondContact O-N 3.1Å; L168-L178 HydrophobicContact CB-CD2 3.99Å; L168-L178 HydrophobicContact CD1-CD1 4.33Å; L168-L178 HydrophobicContact CD1-CD2 4.24Å |
| 169 | L | 93 | Very high | 91.8 | Very high | 24 Ų | 24 | 51.3 Ų | 51.3 | 13% | 0.126 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -70.2 | -32.2 | 179.2 | -71.7 | 171.5 | 0 | 0 | 0 | 113 | R165 L166 L175 L178 R183 | R165-L169 WeakPolarHBondContact O-CB 3.41Å; R165-L169 VanDerWaalsContact O-CG 3.28Å; R165-L169 WeakPolarHBondContact O-CG 3.34Å; R165-L169 PolarHBondContact O-N 3.09Å; L166-L169 PolarHBondContact O-N 3.37Å; L169-L175 HydrophobicContact CD2-CD2 4.14Å; L169-L175 HydrophobicContact CD2-CG 4.43Å; L169-L178 HydrophobicContact CD2-CB 4.05Å; L169-L178 HydrophobicContact CG-CB 4.44Å; L169-L178 HydrophobicContact CG-CD2 4.12Å; L169-R183 HydrophobicContact CD2-CG 4.09Å; L169-R183 PolarHBondContact O-NH2 2.93Å |
| 170 | Q | 90.4 | Very high | 91.5 | Very high | 141 Ų | 141 | 52.1 Ų | 52.1 | 66% | 0.659 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -73.4 | -43.2 | 171.8 | -77.3 | -172.6 | 4.9 | 0 | 0 | 112 | L166 | L166-Q170 WeakPolarHBondContact O-CB 3.5Å; L166-Q170 WeakPolarHBondContact O-CG 3.33Å; L166-Q170 PolarHBondContact O-N 3.45Å |
| 171 | G | 91.3 | Very high | 91.4 | Very high | 34 Ų | 34 | 48.7 Ų | 48.7 | 35% | 0.351 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -77.3 | -22 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | D167 L168 P173 | D167-G171 PolarHBondContact O-N 2.88Å; L168-G171 PolarHBondContact O-N 3.38Å; G171-P173 WeakPolarHBondContact O-CD 3.48Å |
| 172 | L | 94.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.25 | C | S | . | . | trans | -117.1 | 77.9 | 174.7 | -57.8 | 172.9 | 0 | 0 | 0 | 109.9 | I132 L133 L136 K137 L145 L168 Q174 L175 R183 | I132-L172 HydrophobicContact CG2-CD1 4.48Å; L133-L172 HydrophobicContact CD2-CD1 4.3Å; L133-L172 HydrophobicContact CD2-CD2 4.2Å; L133-L172 HydrophobicContact CD2-CG 3.72Å; L136-L172 HydrophobicContact CB-CD1 4.04Å; L136-L172 HydrophobicContact CB-CD2 3.96Å; L136-L172 HydrophobicContact CD1-CD1 4.23Å; K137-L172 HydrophobicContact CB-CD2 4.29Å; L145-L172 HydrophobicContact CD2-CD1 4.43Å; L168-L172 VanDerWaalsContact O-CB 3.27Å; L168-L172 WeakPolarHBondContact O-CB 3.43Å; L168-L172 PolarHBondContact O-N 3.1Å; L172-Q174 VanDerWaalsContact C-OE1 3.26Å; L172-Q174 PolarHBondContact O-N 3.47Å; L172-Q174 VanDerWaalsContact O-N 3.15Å; L172-L175 HydrophobicContact CB-CB 3.95Å; L172-L175 HydrophobicContact CD1-CD2 4.42Å; L172-L175 VanDerWaalsContact O-CB 3.29Å; L172-L175 WeakPolarHBondContact O-CB 3.41Å; L172-L175 PolarHBondContact O-N 2.94Å; L172-R183 PolarHBondContact O-NH2 3.34Å | ||
| 173 | P | 89.6 | Confident | 91.1 | Very high | 92 Ų | 92 | 47.4 Ų | 47.4 | 60% | 0.597 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -21.4 | -178.3 | 26.2 | -35.4 | 0 | 0 | 0 | 113.7 | G171 L175 R183 | G171-P173 WeakPolarHBondContact O-CD 3.48Å; P173-L175 VanDerWaalsContact C-N 3.29Å; P173-R183 VanDerWaalsContact C-NH2 3.3Å; P173-R183 VanDerWaalsContact CA-NH2 3.32Å; P173-R183 PolarHBondContact O-NH2 2.85Å |
| 174 | Q | 90.6 | Very high | 90.7 | Very high | 31 Ų | 31 | 48.9 Ų | 48.9 | 15% | 0.145 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -20.1 | 175.2 | 72.8 | -84.9 | 28.7 | 0 | 0 | 113.6 | L136 L139 L142 L172 E176 | L136-Q174 PolarHBondContact O-NE2 3.41Å; L136-Q174 VanDerWaalsContact O-NE2 3.15Å; L139-Q174 PolarHBondContact O-NE2 2.92Å; L142-Q174 HydrophobicContact CB-CG 4.26Å; L142-Q174 CarbonylContact O-C 3.31Å; L142-Q174 VanDerWaalsContact O-CG 3.29Å; L142-Q174 WeakPolarHBondContact O-CG 3.46Å; L172-Q174 VanDerWaalsContact C-OE1 3.26Å; L172-Q174 PolarHBondContact O-N 3.47Å; L172-Q174 VanDerWaalsContact O-N 3.15Å; Q174-E176 PolarHBondContact O-N 3.01Å |
| 175 | L | 93.2 | Very high | 90 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | trans | -77.6 | 121.7 | -174.6 | -169.2 | 70.5 | 0 | 0 | 0 | 110.5 | L142 R143 L145 L169 L172 P173 L178 R183 | L142-L175 HydrophobicContact CD2-CD1 4.24Å; L142-L175 HydrophobicContact CG-CD1 4.05Å; R143-L175 WeakPolarHBondContact O-CD1 3.31Å; L145-L175 HydrophobicContact CB-CD1 3.52Å; L145-L175 HydrophobicContact CB-CD2 3.97Å; L145-L175 HydrophobicContact CB-CG 4.39Å; L145-L175 HydrophobicContact CD2-CD2 4.22Å; L169-L175 HydrophobicContact CD2-CD2 4.14Å; L169-L175 HydrophobicContact CD2-CG 4.43Å; L172-L175 HydrophobicContact CB-CB 3.95Å; L172-L175 HydrophobicContact CD1-CD2 4.42Å; L172-L175 VanDerWaalsContact O-CB 3.29Å; L172-L175 WeakPolarHBondContact O-CB 3.41Å; L172-L175 PolarHBondContact O-N 2.94Å; P173-L175 VanDerWaalsContact C-N 3.29Å; L175-L178 HydrophobicContact CD2-CB 4.04Å; L175-L178 HydrophobicContact CD2-CD1 4.17Å; L175-R183 PolarHBondContact O-NE 3.46Å; L175-R183 PolarHBondContact O-NH2 3.49Å | ||
| 176 | E | 89.6 | Confident | 89.5 | Confident | 106 Ų | 106 | 54.5 Ų | 54.5 | 50% | 0.495 | 29% | 0.285 | S | S | . | . | trans | -94.5 | -39.5 | 180 | -69.6 | 176 | -170.9 | 0 | 0 | 112 | R143 Q174 D182 R183 | R143-E176 VanDerWaalsContact CD-OE1 3.28Å; R143-E176 WeakPolarHBondContact CD-OE1 3.37Å; R143-E176 IonicContact NE-OE1 3.8Å; R143-E176 PolarHBondContact NE-OE1 3.31Å; R143-E176 WeakPolarHBondContact O-CA 3.34Å; R143-E176 PolarHBondContact O-N 3.38Å; Q174-E176 PolarHBondContact O-N 3.01Å; E176-D182 WeakPolarHBondContact O-CA 3.39Å; E176-R183 PolarHBondContact O-N 3.32Å | ||
| 177 | I | 91.8 | Very high | 88.7 | Confident | 26 Ų | 26 | 55.1 Ų | 55.1 | 13% | 0.133 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 125.5 | -175.5 | -57.4 | 170.6 | 0 | 0 | 0 | 109.5 | R143 Q144 L145 T188 | R143-I177 PolarHBondContact O-N 3.17Å; Q144-I177 WeakPolarHBondContact CA-O 3.37Å; Q144-I177 HydrophobicContact CB-CB 4.33Å; Q144-I177 HydrophobicContact CG-CB 4.03Å; Q144-I177 HydrophobicContact CG-CG2 4.08Å; L145-I177 PolarHBondContact N-O 3.43Å; I177-T188 WeakPolarHBondContact CG2-OG1 3.5Å |
| 178 | L | 93.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 125 | 173 | 178.3 | 61.1 | 0 | 0 | 0 | 108.4 | L145 L147 Y164 R165 L168 L169 L175 H180 V181 | L145-L178 HydrophobicContact CB-CD1 4.15Å; L145-L178 HydrophobicContact CD2-CD1 4.08Å; L145-L178 HydrophobicContact CG-CD1 4.08Å; L145-L178 CarbonylContact O-C 3.35Å; L145-L178 VanDerWaalsContact O-CA 3.28Å; L145-L178 WeakPolarHBondContact O-CA 3.41Å; L147-L178 HydrophobicContact CD1-CD1 4.26Å; Y164-L178 HydrophobicContact CE2-CD2 4.26Å; R165-L178 HydrophobicContact CB-CD2 4.09Å; R165-L178 HydrophobicContact CG-CD2 4.04Å; R165-L178 PolarHBondContact NH1-O 2.94Å; R165-L178 PolarHBondContact NH2-O 3.4Å; L168-L178 HydrophobicContact CB-CD2 3.99Å; L168-L178 HydrophobicContact CD1-CD1 4.33Å; L168-L178 HydrophobicContact CD1-CD2 4.24Å; L169-L178 HydrophobicContact CD2-CB 4.05Å; L169-L178 HydrophobicContact CG-CB 4.44Å; L169-L178 HydrophobicContact CG-CD2 4.12Å; L175-L178 HydrophobicContact CD2-CB 4.04Å; L175-L178 HydrophobicContact CD2-CD1 4.17Å; L178-H180 VanDerWaalsContact C-N 3.33Å; L178-H180 PolarHBondContact O-N 3.15Å; L178-V181 PolarHBondContact N-O 2.97Å; L178-V181 PolarHBondContact O-N 3.35Å |
| 179 | D | 93.1 | Very high | 86 | Confident | 3 Ų | 3 | 63.4 Ų | 63.4 | 2% | 0.016 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 45.2 | 176.6 | -49.9 | -46.9 | 0 | 0 | 0 | 113.7 | L145 L147 L148 Y164 R165 V181 | L145-D179 PolarHBondContact O-N 3.4Å; L147-D179 WeakPolarHBondContact CA-OD1 3.41Å; L147-D179 PolarHBondContact N-OD1 3.23Å; L148-D179 HydrophobicContact CB-CB 4.27Å; L148-D179 PolarHBondContact N-OD1 2.97Å; L148-D179 VanDerWaalsContact O-CB 3.31Å; L148-D179 WeakPolarHBondContact O-CB 3.32Å; Y164-D179 WeakPolarHBondContact CE2-OD2 3.28Å; Y164-D179 PolarHBondContact OH-OD2 2.91Å; R165-D179 IonicContact NH1-OD2 2.87Å; R165-D179 PolarHBondContact NH1-OD2 3.5Å; D179-V181 PolarHBondContact O-N 3.01Å |
| 180 | H | 86.5 | Confident | 84.3 | Confident | 34 Ų | 34 | 64.6 Ų | 64.6 | 16% | 0.157 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 18.7 | -176 | -52.4 | -76.2 | 0 | 0 | 0 | 114.6 | L178 S187 T188 | L178-H180 VanDerWaalsContact C-N 3.33Å; L178-H180 PolarHBondContact O-N 3.15Å; H180-S187 CarbonylContact O-C 3.27Å; H180-S187 VanDerWaalsContact O-CA 3.29Å; H180-S187 WeakPolarHBondContact O-CA 3.32Å; H180-T188 WeakPolarHBondContact CA-O 3.39Å; H180-T188 WeakPolarHBondContact CB-O 3.45Å; H180-T188 PolarHBondContact O-N 3.38Å |
| 181 | V | 88 | Confident | 82.7 | Confident | 33 Ų | 33 | 62 Ų | 62 | 20% | 0.2 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 124.1 | 180 | 178.1 | 0 | 0 | 0 | 0 | 108.8 | R165 L178 D179 G185 R186 | R165-V181 PolarHBondContact NH2-O 3.38Å; L178-V181 PolarHBondContact N-O 2.97Å; L178-V181 PolarHBondContact O-N 3.35Å; D179-V181 PolarHBondContact O-N 3.01Å; V181-G185 VanDerWaalsContact CG1-C 3.44Å; V181-G185 VanDerWaalsContact CG1-CA 3.42Å; V181-R186 WeakPolarHBondContact CA-O 3.28Å |
| 182 | D | 86.9 | Confident | 80.7 | Confident | 18 Ų | 18 | 65 Ų | 65 | 10% | 0.096 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 174.8 | 177.3 | 76.7 | 3.2 | 0 | 0 | 0 | 112.2 | E176 M184 G185 R186 T188 | E176-D182 WeakPolarHBondContact O-CA 3.39Å; D182-M184 PolarHBondContact O-N 3.02Å; D182-M184 VanDerWaalsContact O-N 3.11Å; D182-M184 VanDerWaalsContact OD1-C 3.3Å; D182-M184 VanDerWaalsContact OD1-CA 3.28Å; D182-M184 WeakPolarHBondContact OD1-CA 3.09Å; D182-M184 WeakPolarHBondContact OD1-CB 3.32Å; D182-M184 PolarHBondContact OD1-N 3.03Å; D182-G185 PolarHBondContact O-N 3.33Å; D182-G185 PolarHBondContact OD1-N 3.37Å; D182-R186 PolarHBondContact N-O 3.27Å; D182-R186 PolarHBondContact OD1-N 2.86Å; D182-R186 IonicContact OD1-NE 3.95Å; D182-R186 IonicContact OD2-CZ 2.88Å; D182-R186 IonicContact OD2-NE 3.91Å; D182-R186 PolarHBondContact OD2-NE 2.94Å; D182-R186 IonicContact OD2-NH2 3.8Å; D182-R186 PolarHBondContact OD2-NH2 3.19Å; D182-T188 HydrophobicContact CB-CG2 4.34Å |
| 183 | R | 84.4 | Confident | 78.4 | Confident | 122 Ų | 122 | 70.7 Ų | 70.7 | 46% | 0.46 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -23 | 175.7 | -71.3 | 177.2 | 175.7 | -110.1 | -19.1 | 114.1 | L169 L172 P173 L175 E176 | L169-R183 HydrophobicContact CD2-CG 4.09Å; L169-R183 PolarHBondContact O-NH2 2.93Å; L172-R183 PolarHBondContact O-NH2 3.34Å; P173-R183 VanDerWaalsContact C-NH2 3.3Å; P173-R183 VanDerWaalsContact CA-NH2 3.32Å; P173-R183 PolarHBondContact O-NH2 2.85Å; L175-R183 PolarHBondContact O-NE 3.46Å; L175-R183 PolarHBondContact O-NH2 3.49Å; E176-R183 PolarHBondContact O-N 3.32Å |
| 184 | M | 81.9 | Confident | 76.6 | Confident | 143 Ų | 143 | 67.5 Ų | 67.5 | 70% | 0.704 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -1.1 | 180 | -62.3 | -177.9 | 63.7 | 0 | 0 | 112.9 | D182 R186 | D182-M184 PolarHBondContact O-N 3.02Å; D182-M184 VanDerWaalsContact O-N 3.11Å; D182-M184 VanDerWaalsContact OD1-C 3.3Å; D182-M184 VanDerWaalsContact OD1-CA 3.28Å; D182-M184 WeakPolarHBondContact OD1-CA 3.09Å; D182-M184 WeakPolarHBondContact OD1-CB 3.32Å; D182-M184 PolarHBondContact OD1-N 3.03Å; M184-R186 HydrophobicContact CB-CG 4.44Å |
| 185 | G | 79.8 | Confident | 74.7 | Confident | 56 Ų | 56 | 68 Ų | 68 | 58% | 0.577 | 36% | 0.359 | S | S | * | . | S | Bend | trans | 84.8 | 9.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | V181 D182 | V181-G185 VanDerWaalsContact CG1-C 3.44Å; V181-G185 VanDerWaalsContact CG1-CA 3.42Å; D182-G185 PolarHBondContact O-N 3.33Å; D182-G185 PolarHBondContact OD1-N 3.37Å |
| 186 | R | 80.8 | Confident | 72.5 | Confident | 146 Ų | 146 | 71.8 Ų | 71.8 | 55% | 0.551 | 38% | 0.38 | S | S | * | . | trans | -84.9 | 131.7 | 178.1 | -59.8 | 178.4 | -64.8 | -169.9 | 0.9 | 109.9 | V181 D182 M184 T188 | V181-R186 WeakPolarHBondContact CA-O 3.28Å; D182-R186 PolarHBondContact N-O 3.27Å; D182-R186 PolarHBondContact OD1-N 2.86Å; D182-R186 IonicContact OD1-NE 3.95Å; D182-R186 IonicContact OD2-CZ 2.88Å; D182-R186 IonicContact OD2-NE 3.91Å; D182-R186 PolarHBondContact OD2-NE 2.94Å; D182-R186 IonicContact OD2-NH2 3.8Å; D182-R186 PolarHBondContact OD2-NH2 3.19Å; M184-R186 HydrophobicContact CB-CG 4.44Å; R186-T188 PolarHBondContact O-N 2.93Å | ||
| 187 | S | 74.2 | Confident | 70.5 | Confident | 105 Ų | 105 | 68.7 Ų | 68.7 | 73% | 0.734 | 37% | 0.369 | S | S | * | . | B | Isolated β-bridge | trans | -65.8 | 120.4 | 172.5 | -169.5 | 0 | 0 | 0 | 0 | 109.6 | H180 | H180-S187 CarbonylContact O-C 3.27Å; H180-S187 VanDerWaalsContact O-CA 3.29Å; H180-S187 WeakPolarHBondContact O-CA 3.32Å |
| 188 | T | 69.8 | Low | 68.4 | Low | 39 Ų | 39 | 73 Ų | 73 | 24% | 0.239 | 39% | 0.388 | C | S | . | . | trans | -121.3 | 133 | 176.9 | 48.7 | 0 | 0 | 0 | 0 | 109.5 | I177 H180 D182 R186 | I177-T188 WeakPolarHBondContact CG2-OG1 3.5Å; H180-T188 WeakPolarHBondContact CA-O 3.39Å; H180-T188 WeakPolarHBondContact CB-O 3.45Å; H180-T188 PolarHBondContact O-N 3.38Å; D182-T188 HydrophobicContact CB-CG2 4.34Å; R186-T188 PolarHBondContact O-N 2.93Å | ||
| 189 | Q | 62.7 | Low | 66 | Low | 178 Ų | 178 | 76.5 Ų | 76.5 | 83% | 0.832 | 41% | 0.407 | S | S | * | . | trans | -72.9 | 157.8 | 171.6 | -72.2 | -174.5 | -9.9 | 0 | 0 | 110.3 | D191 | Q189-D191 PolarHBondContact O-N 2.94Š| ||
| 190 | I | 58.3 | Low | 63.8 | Low | 50 Ų | 50 | 81 Ų | 81 | 26% | 0.256 | 43% | 0.43 | S | S | . | . | trans | -58.8 | 122.1 | 172.2 | -67 | 164.1 | 0 | 0 | 0 | 107.8 | I120 V192 | I120-I190 HydrophobicContact CD1-CD1 3.88Å; I190-V192 PolarHBondContact O-N 3.46Å | ||
| 191 | D | 55.4 | Low | 61.8 | Low | 87 Ų | 87 | 82 Ų | 82 | 47% | 0.465 | 45% | 0.449 | S | S | . | . | trans | -72.5 | 94.7 | 177.9 | -168.1 | 0 | 0 | 0 | 0 | 109.5 | R92 Q189 L193 A194 | R92-D191 PolarHBondContact NH2-O 2.82Å; Q189-D191 PolarHBondContact O-N 2.94Å; D191-L193 PolarHBondContact O-N 3.4Å; D191-L193 VanDerWaalsContact OD1-CB 3.29Å; D191-L193 WeakPolarHBondContact OD1-CB 3.48Å; D191-L193 PolarHBondContact OD1-N 3.04Å; D191-A194 PolarHBondContact O-N 2.95Å | ||
| 192 | V | 51 | Low | 59.5 | Low | 97 Ų | 97 | 85.9 Ų | 85.9 | 59% | 0.588 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -61.3 | -24.2 | 176.2 | -173.5 | 0 | 0 | 0 | 0 | 110.4 | I190 A194 D195 | I190-V192 PolarHBondContact O-N 3.46Å; V192-A194 VanDerWaalsContact C-N 3.27Å; V192-A194 PolarHBondContact O-N 3.06Å; V192-D195 WeakPolarHBondContact O-CB 3.35Å; V192-D195 VanDerWaalsContact O-CG 3.25Å; V192-D195 PolarHBondContact O-N 3.26Å |
| 193 | L | 44.3 | Very low | 57.2 | Low | 119 Ų | 119 | 90.9 Ų | 90.9 | 62% | 0.623 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -71.3 | -19.5 | -177.3 | -62.8 | 169.8 | 0 | 0 | 0 | 113.6 | D191 D195 L196 | D191-L193 PolarHBondContact O-N 3.4Å; D191-L193 VanDerWaalsContact OD1-CB 3.29Å; D191-L193 WeakPolarHBondContact OD1-CB 3.48Å; D191-L193 PolarHBondContact OD1-N 3.04Å; L193-D195 PolarHBondContact O-N 3.39Å; L193-L196 PolarHBondContact O-N 3.27Å; L193-L196 VanDerWaalsContact O-N 3.13Å |
| 194 | A | 52.5 | Low | 55.4 | Low | 24 Ų | 24 | 91.8 Ų | 91.8 | 20% | 0.198 | 50% | 0.504 | C | S | . | . | G | 310 helix | trans | -59.8 | -13.5 | 173 | 0 | 0 | 0 | 0 | 0 | 113.3 | D191 V192 L196 | D191-A194 PolarHBondContact O-N 2.95Å; V192-A194 VanDerWaalsContact C-N 3.27Å; V192-A194 PolarHBondContact O-N 3.06Å; A194-L196 PolarHBondContact O-N 2.9Å |
| 195 | D | 50.9 | Low | 53.6 | Low | 41 Ų | 41 | 91.6 Ų | 91.6 | 22% | 0.219 | 50% | 0.503 | C | S | . | . | G | 310 helix | trans | -70.2 | -11.2 | 176.6 | -63.9 | -29.8 | 0 | 0 | 0 | 113.6 | R92 V192 L193 P197 | R92-D195 IonicContact CZ-OD1 3.91Å; R92-D195 IonicContact CZ-OD2 2.82Å; R92-D195 IonicContact NE-OD1 3.86Å; R92-D195 IonicContact NH1-OD1 3.75Å; R92-D195 PolarHBondContact NH1-OD1 3.37Å; R92-D195 IonicContact NH1-OD2 3.3Å; R92-D195 PolarHBondContact NH1-OD2 3.27Å; R92-D195 IonicContact NH2-OD1 3.72Å; R92-D195 PolarHBondContact NH2-OD1 2.91Å; R92-D195 IonicContact NH2-OD2 2.85Å; V192-D195 WeakPolarHBondContact O-CB 3.35Å; V192-D195 VanDerWaalsContact O-CG 3.25Å; V192-D195 PolarHBondContact O-N 3.26Å; L193-D195 PolarHBondContact O-N 3.39Å; D195-P197 WeakPolarHBondContact O-CD 3.45Å |
| 196 | L | 46.8 | Very low | 51.4 | Low | 81 Ų | 81 | 93.3 Ų | 93.3 | 42% | 0.424 | 50% | 0.498 | S | S | . | . | trans | -114 | 74.7 | 179.7 | -65.4 | 170.1 | 0 | 0 | 0 | 112.2 | L193 A194 E198 L199 | L193-L196 PolarHBondContact O-N 3.27Å; L193-L196 VanDerWaalsContact O-N 3.13Å; A194-L196 PolarHBondContact O-N 2.9Å; L196-E198 PolarHBondContact O-N 3.06Å; L196-L199 HydrophobicContact CB-CB 4.25Å; L196-L199 HydrophobicContact CB-CD1 3.85Å; L196-L199 HydrophobicContact CB-CG 4.23Å; L196-L199 HydrophobicContact CD1-CD1 3.58Å; L196-L199 HydrophobicContact CG-CD1 4.37Å; L196-L199 WeakPolarHBondContact O-CA 3.48Å; L196-L199 VanDerWaalsContact O-CB 3.32Å; L196-L199 WeakPolarHBondContact O-CB 3.48Å; L196-L199 PolarHBondContact O-N 2.86Å | ||
| 197 | P | 46.6 | Very low | 49.4 | Very low | 41 Ų | 41 | 90.3 Ų | 90.3 | 27% | 0.266 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -53.4 | -21.9 | 168 | -30.4 | 30 | 0 | 0 | 0 | 114.7 | V91 D195 L199 N200 | V91-P197 HydrophobicContact CG2-CG 4.38Å; D195-P197 WeakPolarHBondContact O-CD 3.45Å; P197-L199 PolarHBondContact O-N 2.97Å; P197-N200 PolarHBondContact O-N 3.3Å; P197-N200 VanDerWaalsContact O-N 3.07Å |
| 198 | E | 49.1 | Very low | 47.5 | Very low | 117 Ų | 117 | 91.9 Ų | 91.9 | 55% | 0.547 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.1 | -27.3 | 171 | -68.7 | 169.2 | -142.5 | 0 | 0 | 111.3 | R47 L196 F202 | R47-E198 IonicContact CZ-OE1 2.92Å; R47-E198 IonicContact NH1-OE1 2.88Å; R47-E198 PolarHBondContact NH1-OE1 3.21Å; R47-E198 IonicContact NH2-OE1 3.25Å; R47-E198 PolarHBondContact NH2-OE1 3.5Å; L196-E198 PolarHBondContact O-N 3.06Å; E198-F202 WeakPolarHBondContact O-CD2 3.42Å; E198-F202 VanDerWaalsContact O-CE2 3.28Å; E198-F202 WeakPolarHBondContact O-CE2 3.33Å |
| 199 | L | 43.9 | Very low | 45.7 | Very low | 73 Ų | 73 | 94.8 Ų | 94.8 | 38% | 0.382 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -85.2 | -17.3 | 172.3 | -76.2 | 167.5 | 0 | 0 | 0 | 114.7 | L196 P197 G201 F202 L203 | L196-L199 HydrophobicContact CB-CB 4.25Å; L196-L199 HydrophobicContact CB-CD1 3.85Å; L196-L199 HydrophobicContact CB-CG 4.23Å; L196-L199 HydrophobicContact CD1-CD1 3.58Å; L196-L199 HydrophobicContact CG-CD1 4.37Å; L196-L199 WeakPolarHBondContact O-CA 3.48Å; L196-L199 VanDerWaalsContact O-CB 3.32Å; L196-L199 WeakPolarHBondContact O-CB 3.48Å; L196-L199 PolarHBondContact O-N 2.86Å; P197-L199 PolarHBondContact O-N 2.97Å; L199-G201 PolarHBondContact O-N 3.49Å; L199-F202 HydrophobicContact CD2-CB 4.14Å; L199-F202 HydrophobicContact CD2-CD2 4.22Å; L199-F202 HydrophobicContact CD2-CG 4.33Å; L199-F202 CarbonylContact O-C 3.02Å; L199-F202 WeakPolarHBondContact O-CA 3.05Å; L199-F202 WeakPolarHBondContact O-CB 3.45Å; L199-F202 PolarHBondContact O-N 3.24Å; L199-L203 PolarHBondContact O-N 3.23Å |
| 200 | N | 46.7 | Very low | 44.5 | Very low | 97 Ų | 97 | 90.8 Ų | 90.8 | 52% | 0.519 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62 | -29.5 | 176.9 | -79.2 | -1.7 | 0 | 0 | 0 | 111.6 | P197 F202 | P197-N200 PolarHBondContact O-N 3.3Å; P197-N200 VanDerWaalsContact O-N 3.07Å; N200-F202 VanDerWaalsContact C-N 3.27Å; N200-F202 PolarHBondContact O-N 3.41Å |
| 201 | G | 44.4 | Very low | 43.5 | Very low | 54 Ų | 54 | 95.2 Ų | 95.2 | 56% | 0.557 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -73.5 | -14.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | L199 M205 | L199-G201 PolarHBondContact O-N 3.49Å; G201-M205 WeakPolarHBondContact O-CG 3.37Å |
| 202 | F | 38.7 | Very low | 42.4 | Very low | 116 Ų | 116 | 98.2 Ų | 98.2 | 51% | 0.509 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -97.6 | -25.7 | 176.9 | -67.8 | -93.7 | 0 | 0 | 0 | 112.7 | E198 L199 N200 D204 M205 I206 | E198-F202 WeakPolarHBondContact O-CD2 3.42Å; E198-F202 VanDerWaalsContact O-CE2 3.28Å; E198-F202 WeakPolarHBondContact O-CE2 3.33Å; L199-F202 HydrophobicContact CD2-CB 4.14Å; L199-F202 HydrophobicContact CD2-CD2 4.22Å; L199-F202 HydrophobicContact CD2-CG 4.33Å; L199-F202 CarbonylContact O-C 3.02Å; L199-F202 WeakPolarHBondContact O-CA 3.05Å; L199-F202 WeakPolarHBondContact O-CB 3.45Å; L199-F202 PolarHBondContact O-N 3.24Å; N200-F202 VanDerWaalsContact C-N 3.27Å; N200-F202 PolarHBondContact O-N 3.41Å; F202-D204 VanDerWaalsContact C-N 3.29Å; F202-D204 PolarHBondContact O-N 3Å; F202-M205 CarbonylContact O-C 3.55Å; F202-M205 WeakPolarHBondContact O-CA 3.47Å; F202-M205 WeakPolarHBondContact O-CB 3.37Å; F202-M205 PolarHBondContact O-N 2.95Å; F202-I206 PolarHBondContact O-N 2.89Å |
| 203 | L | 39.3 | Very low | 41.4 | Very low | 122 Ų | 122 | 96.9 Ų | 96.9 | 64% | 0.639 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -60.6 | -39.8 | 177.3 | -123.8 | 82.5 | 0 | 0 | 0 | 111.7 | L199 M205 I206 | L199-L203 PolarHBondContact O-N 3.23Å; L203-M205 PolarHBondContact O-N 3.34Å; L203-I206 PolarHBondContact O-N 3.08Å |
| 204 | D | 45.6 | Very low | 40.8 | Very low | 142 Ų | 142 | 96 Ų | 96 | 76% | 0.759 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -12 | 173.7 | -76 | -13.3 | 0 | 0 | 0 | 113.3 | F202 | F202-D204 VanDerWaalsContact C-N 3.29Å; F202-D204 PolarHBondContact O-N 3Å |
| 205 | M | 44.2 | Very low | 39.7 | Very low | 139 Ų | 139 | 102.7 Ų | 102.7 | 69% | 0.685 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | 0.2 | -177.1 | -60.9 | -72.5 | 92.4 | 0 | 0 | 113.6 | G201 F202 L203 P207 | G201-M205 WeakPolarHBondContact O-CG 3.37Å; F202-M205 CarbonylContact O-C 3.55Å; F202-M205 WeakPolarHBondContact O-CA 3.47Å; F202-M205 WeakPolarHBondContact O-CB 3.37Å; F202-M205 PolarHBondContact O-N 2.95Å; L203-M205 PolarHBondContact O-N 3.34Å; M205-P207 WeakPolarHBondContact O-CD 3.35Å |
| 206 | I | 35.1 | Very low | 38.7 | Very low | 91 Ų | 91 | 108.6 Ų | 108.6 | 47% | 0.467 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -98.1 | 110.2 | 174.2 | -60 | 173.4 | 0 | 0 | 0 | 108.7 | F202 L203 I208 L211 | F202-I206 PolarHBondContact O-N 2.89Å; L203-I206 PolarHBondContact O-N 3.08Å; I206-I208 PolarHBondContact O-N 3.27Å; I206-L211 HydrophobicContact CG2-CD1 4.34Å |
| 207 | P | 37.1 | Very low | 37.8 | Very low | 83 Ų | 83 | 113.1 Ų | 113.1 | 54% | 0.539 | 64% | 0.641 | S | S | . | * | trans | -62.1 | 128.5 | 177.2 | -17.5 | 30.3 | 0 | 0 | 0 | 110.6 | M205 S209 S210 | M205-P207 WeakPolarHBondContact O-CD 3.35Å; P207-S209 PolarHBondContact O-N 3.12Å; P207-S210 PolarHBondContact O-N 3.47Å | ||
| 208 | I | 35.4 | Very low | 36.8 | Very low | 138 Ų | 138 | 121.9 Ų | 121.9 | 71% | 0.708 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -53.6 | -23 | -176.7 | -62.3 | 171.4 | 0 | 0 | 0 | 112.7 | I206 S210 L211 | I206-I208 PolarHBondContact O-N 3.27Å; I208-S210 PolarHBondContact O-N 2.81Å; I208-L211 PolarHBondContact O-N 2.85Å |
| 209 | S | 32.3 | Very low | 35.9 | Very low | 100 Ų | 100 | 124.9 Ų | 124.9 | 70% | 0.699 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -64.8 | -14.5 | 176.5 | 53.8 | 0 | 0 | 0 | 0 | 115.2 | P207 | P207-S209 PolarHBondContact O-N 3.12Š|
| 210 | S | 37.6 | Very low | 35.2 | Very low | 95 Ų | 95 | 130.6 Ų | 130.6 | 66% | 0.664 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -94.3 | -7.3 | 179.5 | -66.7 | 0 | 0 | 0 | 0 | 114.6 | P207 I208 | P207-S210 PolarHBondContact O-N 3.47Å; I208-S210 PolarHBondContact O-N 2.81Å |
| 211 | L | 35.8 | Very low | 34.3 | Very low | 143 Ų | 143 | 134.6 Ų | 134.6 | 75% | 0.749 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | -11.2 | -178.6 | -87.5 | 152.7 | 0 | 0 | 0 | 114.1 | I206 I208 | I206-L211 HydrophobicContact CG2-CD1 4.34Å; I208-L211 PolarHBondContact O-N 2.85Å |
| 212 | L | 32.4 | Very low | 33.4 | Very low | 149 Ų | 149 | 138.8 Ų | 138.8 | 78% | 0.78 | 73% | 0.732 | S | S | * | * | trans | -103.3 | 74.1 | 174.6 | -79.4 | 151.3 | 0 | 0 | 0 | 109.8 | S214 | L212-S214 PolarHBondContact O-N 3.39Š| ||
| 213 | G | 30.3 | Very low | 33 | Very low | 70 Ų | 70 | 141.9 Ų | 141.9 | 72% | 0.722 | 75% | 0.746 | S | S | * | * | trans | -70 | 118.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110 | D215 | G213-D215 PolarHBondContact O-N 3.19Š| ||
| 214 | S | 32.6 | Very low | 32.5 | Very low | 100 Ų | 100 | 144.9 Ų | 144.9 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | trans | -49 | 122 | -177.2 | 49.7 | 0 | 0 | 0 | 0 | 115.2 | L212 H216 | L212-S214 PolarHBondContact O-N 3.39Å; S214-H216 PolarHBondContact O-N 3.05Å | ||
| 215 | D | 29.2 | Very low | 31.5 | Very low | 164 Ų | 164 | 146.2 Ų | 146.2 | 88% | 0.877 | 76% | 0.76 | S | S | * | * | trans | -63.5 | 93.6 | 160.1 | -83.9 | -35.8 | 0 | 0 | 0 | 110.3 | G213 | G213-D215 PolarHBondContact O-N 3.19Š| ||
| 216 | H | 29.5 | Very low | 31 | Very low | 166 Ų | 166 | 146.9 Ų | 146.9 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | -134.4 | 71.7 | 171.3 | -89.2 | -17.6 | 0 | 0 | 0 | 110.4 | S214 | S214-H216 PolarHBondContact O-N 3.05Š| ||
| 217 | L | 27.4 | Very low | 30.8 | Very low | 175 Ų | 175 | 146.8 Ų | 146.8 | 92% | 0.916 | 77% | 0.773 | S | S | * | * | trans | -145.3 | 77.5 | 163.9 | -70.7 | 178.7 | 0 | 0 | 0 | 109.7 | ||||
| 218 | R | 27 | Very low | 30.7 | Very low | 226 Ų | 226 | 150.2 Ų | 150.2 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -154.3 | 121 | 155.2 | -110.7 | 174.2 | -170.3 | 178.2 | 1.5 | 111.1 | ||
| 219 | E | 29.7 | Very low | 30.4 | Very low | 179 Ų | 179 | 152 Ų | 152 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | trans | 75.4 | 75.8 | 148.7 | -65.5 | 167.8 | -161 | 0 | 0 | 117.3 | ||||
| 220 | E | 28.3 | Very low | 30.3 | Very low | 194 Ų | 194 | 155.3 Ų | 155.3 | 91% | 0.907 | 80% | 0.802 | S | S | * | * | trans | -105.6 | 90.7 | 152.9 | -89.6 | -101 | 159.3 | 0 | 0 | 108 | ||||
| 221 | E | 28.7 | Very low | 29.8 | Very low | 181 Ų | 181 | 159.5 Ų | 159.5 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | -140.4 | 141.7 | 155.2 | -77.4 | -166.1 | 158.4 | 0 | 0 | 108.4 | ||||
| 222 | D | 26.1 | Very low | 29.6 | Very low | 142 Ų | 142 | 160.5 Ų | 160.5 | 76% | 0.759 | 82% | 0.816 | S | S | * | * | trans | 77.6 | 89.4 | 171.6 | -67.7 | -19.5 | 0 | 0 | 0 | 119.2 | ||||
| 223 | K | 28.8 | Very low | 29.5 | Very low | 181 Ų | 181 | 161.4 Ų | 161.4 | 79% | 0.787 | 82% | 0.816 | S | S | * | * | 168.7 | 137.7 | 97.6 | -94.4 | 154.1 | -171.2 | 166.3 | 0 | 114.9 | |||||
| 224 | K | 29.6 | Very low | 29.3 | Very low | 185 Ų | 185 | 164.9 Ų | 164.9 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | 82.6 | 86.6 | 144.8 | -69.3 | 171.4 | -179.9 | -174.3 | 0 | 118.1 | N226 | K224-N226 PolarHBondContact O-N 3.37Š| ||
| 225 | L | 25.1 | Very low | 29.3 | Very low | 170 Ų | 170 | 166.1 Ų | 166.1 | 89% | 0.89 | 82% | 0.823 | S | S | * | * | -13.1 | 115.7 | 120.8 | -75.8 | 153 | 0 | 0 | 0 | 113.9 | |||||
| 226 | N | 33 | Very low | 29.2 | Very low | 153 Ų | 153 | 167.3 Ų | 167.3 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -146.8 | 102.3 | 139 | -140.8 | 15.4 | 0 | 0 | 0 | 109.1 | K224 | K224-N226 PolarHBondContact O-N 3.37Š| ||
| 227 | S | 31 | Very low | 29.3 | Very low | 88 Ų | 88 | 167.7 Ų | 167.7 | 62% | 0.615 | 82% | 0.822 | S | S | * | * | trans | -64.6 | 133.6 | 165.3 | 47.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 228 | N | 33.8 | Very low | 29.2 | Very low | 156 Ų | 156 | 164.6 Ų | 164.6 | 83% | 0.834 | 82% | 0.815 | S | S | * | * | trans | -144.8 | 107.6 | 145.3 | -87.7 | -28.6 | 0 | 0 | 0 | 107.5 | ||||
| 229 | E | 29.4 | Very low | 29.1 | Very low | 176 Ų | 176 | 157.8 Ų | 157.8 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | trans | -74.8 | 132.5 | 171.2 | -62.4 | 172.5 | 140.7 | 0 | 0 | 108.7 | ||||
| 230 | D | 31.6 | Very low | 29.2 | Very low | 168 Ų | 168 | 155.7 Ų | 155.7 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | trans | -140.9 | 106.4 | 155.7 | -92.3 | -37.5 | 0 | 0 | 0 | 108.1 | ||||
| 231 | Q | 26.9 | Very low | 29.2 | Very low | 183 Ų | 183 | 155.1 Ų | 155.1 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | trans | -104.2 | 118.8 | 169.2 | -77.5 | 179.4 | 11.3 | 0 | 0 | 108.6 | ||||
| 232 | I | 31.2 | Very low | 29.2 | Very low | 164 Ų | 164 | 155.1 Ų | 155.1 | 84% | 0.841 | 80% | 0.796 | S | S | * | * | trans | -145.5 | 105.3 | 153.7 | -58.8 | -175.2 | 0 | 0 | 0 | 111.3 | ||||
| 233 | H | 30.7 | Very low | 29.2 | Very low | 169 Ų | 169 | 154.1 Ų | 154.1 | 78% | 0.782 | 80% | 0.795 | S | S | * | * | 45.7 | 129.9 | 129.3 | -119 | -62.9 | 0 | 0 | 0 | 124.3 | |||||
| 234 | L | 25.8 | Very low | 29.3 | Very low | 143 Ų | 143 | 155 Ų | 155 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 150.6 | 173.1 | -65.1 | 97.9 | 0 | 0 | 0 | 117.2 | ||
| 235 | P | 31.9 | Very low | 29.2 | Very low | 126 Ų | 126 | 153.4 Ų | 153.4 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 143.1 | 150.7 | 26.6 | -11.5 | 0 | 0 | 0 | 112.9 | ||
| 236 | K | 27 | Very low | 29.3 | Very low | 189 Ų | 189 | 154 Ų | 154 | 82% | 0.822 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 172.5 | 176.7 | -66.9 | 175.5 | 170.5 | 174.8 | 0 | 111.3 | ||
| 237 | Q | 31.6 | Very low | 29.1 | Very low | 173 Ų | 173 | 154.6 Ų | 154.6 | 81% | 0.808 | 80% | 0.797 | S | S | * | * | trans | 92 | 105.2 | 155.3 | -68.7 | 176 | 2.8 | 0 | 0 | 115.8 | ||||
| 238 | S | 25.2 | Very low | 29.1 | Very low | 110 Ų | 110 | 155.3 Ų | 155.3 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | 69.5 | 140.2 | 85.7 | 76.4 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 239 | A | 26.2 | Very low | 28.9 | Very low | 83 Ų | 83 | 152.9 Ų | 152.9 | 69% | 0.686 | 80% | 0.804 | S | S | * | * | cis | -173 | 154.8 | -4.2 | 0 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 240 | D | 30.5 | Very low | 29 | Very low | 136 Ų | 136 | 150.4 Ų | 150.4 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | 144.4 | 104.5 | 154.5 | -81.7 | -30.2 | 0 | 0 | 0 | 109.5 | ||||
| 241 | K | 30 | Very low | 28.9 | Very low | 182 Ų | 182 | 148.4 Ų | 148.4 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | 88.9 | 129.5 | 86.2 | -85.5 | -176.4 | -175 | 168.7 | 0 | 112.8 | |||||
| 242 | E | 27.8 | Very low | 28.9 | Very low | 180 Ų | 180 | 147.7 Ų | 147.7 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | trans | 106.2 | 95.2 | 161.9 | -61.6 | -172.8 | 178.8 | 0 | 0 | 115.9 | ||||
| 243 | V | 26.2 | Very low | 29 | Very low | 121 Ų | 121 | 149 Ų | 149 | 73% | 0.733 | 80% | 0.798 | S | S | * | * | 83.4 | 93.8 | 81.5 | 170.4 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 244 | K | 31.3 | Very low | 29.2 | Very low | 201 Ų | 201 | 146.5 Ų | 146.5 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | 171.9 | 132.1 | 115 | -102.5 | 160.5 | -175.2 | 178.5 | 0 | 112.3 | |||||
| 245 | N | 27.5 | Very low | 29.5 | Very low | 150 Ų | 150 | 147.4 Ų | 147.4 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | trans | -53.2 | 128.6 | 172 | -68.3 | -26.6 | 0 | 0 | 0 | 113.2 | ||||
| 246 | M | 27.5 | Very low | 29.8 | Very low | 183 Ų | 183 | 148.3 Ų | 148.3 | 90% | 0.901 | 79% | 0.793 | S | S | * | * | trans | -138.6 | 139.8 | 136.2 | -88.8 | -144.5 | 68.6 | 0 | 0 | 109.5 | ||||
| 247 | H | 29 | Very low | 30.2 | Very low | 165 Ų | 165 | 147.1 Ų | 147.1 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | trans | -70.4 | 149.2 | -164.7 | -74.9 | 61 | 0 | 0 | 0 | 113.2 | A249 | H247-A249 PolarHBondContact O-N 2.92Š| ||
| 248 | S | 29.2 | Very low | 30.4 | Very low | 104 Ų | 104 | 145.7 Ų | 145.7 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | -15.9 | 111.8 | 162.2 | 57.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 249 | A | 30.9 | Very low | 31 | Very low | 105 Ų | 105 | 144.2 Ų | 144.2 | 87% | 0.868 | 78% | 0.776 | S | S | * | * | trans | -100 | 99.6 | 150.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | H247 | H247-A249 PolarHBondContact O-N 2.92Š| ||
| 250 | T | 31.8 | Very low | 31.8 | Very low | 124 Ų | 124 | 144 Ų | 144 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | trans | -81.7 | 109.9 | 172.3 | 34 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 251 | C | 28.2 | Very low | 32.1 | Very low | 125 Ų | 125 | 143.4 Ų | 143.4 | 85% | 0.845 | 76% | 0.762 | S | S | * | * | trans | 43.5 | 85.2 | 141 | -151 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 252 | E | 28.5 | Very low | 33 | Very low | 168 Ų | 168 | 137.9 Ų | 137.9 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | trans | -120.9 | 81.3 | 163.8 | -74.7 | -174.1 | 165.9 | 0 | 0 | 109.8 | ||||
| 253 | Q | 33.2 | Very low | 34.2 | Very low | 192 Ų | 192 | 131.1 Ų | 131.1 | 90% | 0.897 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -143.6 | 14.4 | 168.1 | -73.8 | -162.3 | -12.1 | 0 | 0 | 116.5 | ||
| 254 | S | 35.1 | Very low | 35.6 | Very low | 117 Ų | 117 | 128.5 Ų | 128.5 | 82% | 0.818 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -128.8 | 7.1 | 178.3 | 57.8 | 0 | 0 | 0 | 0 | 117.4 | ||
| 255 | E | 32 | Very low | 37 | Very low | 162 Ų | 162 | 122.7 Ų | 122.7 | 76% | 0.757 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -110.8 | -2 | 176.2 | -75.1 | -172 | 164.2 | 0 | 0 | 115.3 | H257 | E255-H257 VanDerWaalsContact C-N 3.33Å; E255-H257 PolarHBondContact O-N 3.11Å |
| 256 | Q | 36.4 | Very low | 38.7 | Very low | 145 Ų | 145 | 121 Ų | 121 | 68% | 0.678 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -76.6 | -10.8 | -174.6 | -73.4 | -172 | -3.1 | 0 | 0 | 115.7 | T260 | Q256-T260 PolarHBondContact O-OG1 3.39Å |
| 257 | H | 36 | Very low | 40.5 | Very low | 164 Ų | 164 | 121 Ų | 121 | 76% | 0.759 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -86.9 | -18.7 | 178.8 | -80.7 | -75 | 0 | 0 | 0 | 114.7 | E255 | E255-H257 VanDerWaalsContact C-N 3.33Å; E255-H257 PolarHBondContact O-N 3.11Å |
| 258 | I | 36.3 | Very low | 42.4 | Very low | 142 Ų | 142 | 121.8 Ų | 121.8 | 73% | 0.728 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -86.4 | -31.8 | 177.6 | -62 | 178.6 | 0 | 0 | 0 | 110.7 | T260 L261 S262 | I258-T260 PolarHBondContact O-N 3.3Å; I258-L261 PolarHBondContact O-N 2.99Å; I258-S262 PolarHBondContact O-N 3.01Å |
| 259 | S | 38.6 | Very low | 44.1 | Very low | 80 Ų | 80 | 122 Ų | 122 | 56% | 0.559 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -73.3 | -24.1 | -179.9 | -43.9 | 0 | 0 | 0 | 0 | 113.8 | S263 | S259-S263 PolarHBondContact O-N 3.33Å; S259-S263 PolarHBondContact O-OG 3Å |
| 260 | T | 42.6 | Very low | 46.3 | Very low | 77 Ų | 77 | 122.2 Ų | 122.2 | 47% | 0.472 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -77 | -31.2 | 177.5 | 12.2 | 0 | 0 | 0 | 0 | 112.8 | Q256 I258 S263 T264 | Q256-T260 PolarHBondContact O-OG1 3.39Å; I258-T260 PolarHBondContact O-N 3.3Å; T260-S263 PolarHBondContact O-OG 3.26Å; T260-T264 WeakPolarHBondContact O-CG2 3.48Å; T260-T264 PolarHBondContact O-N 3.34Å; T260-T264 VanDerWaalsContact O-N 3.13Å; T260-T264 PolarHBondContact O-OG1 3.06Å |
| 261 | L | 36.2 | Very low | 48.7 | Very low | 124 Ų | 124 | 120.6 Ų | 120.6 | 65% | 0.649 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -75.3 | -34.9 | 176 | -79.4 | 160.7 | 0 | 0 | 0 | 112.4 | I258 T264 T265 | I258-L261 PolarHBondContact O-N 2.99Å; L261-T264 PolarHBondContact O-OG1 3.49Å; L261-T265 PolarHBondContact O-N 3.13Å; L261-T265 PolarHBondContact O-OG1 2.95Å |
| 262 | S | 49.1 | Very low | 50.9 | Low | 67 Ų | 67 | 119.9 Ų | 119.9 | 47% | 0.469 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -65.9 | -45.4 | 172.3 | -160.5 | 0 | 0 | 0 | 0 | 111.3 | I258 T264 T265 E266 | I258-S262 PolarHBondContact O-N 3.01Å; S262-T264 PolarHBondContact O-N 3.27Å; S262-T265 PolarHBondContact O-N 3.39Å; S262-E266 WeakPolarHBondContact O-CB 3.26Å; S262-E266 WeakPolarHBondContact O-CG 3.37Å; S262-E266 PolarHBondContact O-N 2.93Å |
| 263 | S | 53.4 | Low | 53.2 | Low | 38 Ų | 38 | 117.5 Ų | 117.5 | 27% | 0.266 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -71.1 | -28.4 | -177.2 | 68.2 | 0 | 0 | 0 | 0 | 114.4 | S259 T260 R267 | S259-S263 PolarHBondContact O-N 3.33Å; S259-S263 PolarHBondContact O-OG 3Å; T260-S263 PolarHBondContact O-OG 3.26Å; S263-R267 WeakPolarHBondContact O-CB 3.28Å; S263-R267 VanDerWaalsContact O-CG 3.32Å; S263-R267 WeakPolarHBondContact O-CG 3.33Å; S263-R267 PolarHBondContact O-N 3.39Å |
| 264 | T | 55.1 | Low | 55.4 | Low | 65 Ų | 65 | 112 Ų | 112 | 40% | 0.399 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -72.4 | -36.8 | 173.3 | 43.5 | 0 | 0 | 0 | 0 | 111.6 | T260 L261 S262 R268 | T260-T264 WeakPolarHBondContact O-CG2 3.48Å; T260-T264 PolarHBondContact O-N 3.34Å; T260-T264 VanDerWaalsContact O-N 3.13Å; T260-T264 PolarHBondContact O-OG1 3.06Å; L261-T264 PolarHBondContact O-OG1 3.49Å; S262-T264 PolarHBondContact O-N 3.27Å; T264-R268 VanDerWaalsContact O-CG 3.26Å; T264-R268 WeakPolarHBondContact O-CG 3.11Å; T264-R268 PolarHBondContact O-N 3.46Å |
| 265 | T | 60 | Low | 57.8 | Low | 80 Ų | 80 | 111.8 Ų | 111.8 | 49% | 0.491 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -69.5 | -42.9 | 175.1 | -46.9 | 0 | 0 | 0 | 0 | 111.2 | L261 S262 R268 L269 | L261-T265 PolarHBondContact O-N 3.13Å; L261-T265 PolarHBondContact O-OG1 2.95Å; S262-T265 PolarHBondContact O-N 3.39Å; T265-R268 PolarHBondContact O-N 3.13Å; T265-L269 PolarHBondContact O-N 3.36Å |
| 266 | E | 64.4 | Low | 60 | Low | 115 Ų | 115 | 109.1 Ų | 109.1 | 54% | 0.537 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62 | -42.3 | 173.6 | -77.5 | 176.6 | 174.7 | 0 | 0 | 112.4 | S262 R268 L269 L270 | S262-E266 WeakPolarHBondContact O-CB 3.26Å; S262-E266 WeakPolarHBondContact O-CG 3.37Å; S262-E266 PolarHBondContact O-N 2.93Å; E266-R268 VanDerWaalsContact C-N 3.3Å; E266-R268 PolarHBondContact O-N 3.32Å; E266-L269 PolarHBondContact O-N 3.45Å; E266-L270 WeakPolarHBondContact O-CB 3.42Å; E266-L270 PolarHBondContact O-N 2.95Å |
| 267 | R | 64.4 | Low | 62 | Low | 181 Ų | 181 | 106.6 Ų | 106.6 | 68% | 0.683 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -63.2 | -35.6 | 174 | -81 | -179.2 | -173.7 | 164.3 | 4.1 | 112.5 | S263 N271 | S263-R267 WeakPolarHBondContact O-CB 3.28Å; S263-R267 VanDerWaalsContact O-CG 3.32Å; S263-R267 WeakPolarHBondContact O-CG 3.33Å; S263-R267 PolarHBondContact O-N 3.39Å; R267-N271 WeakPolarHBondContact O-CB 3.3Å; R267-N271 PolarHBondContact O-N 3.38Å |
| 268 | R | 68.2 | Low | 63.9 | Low | 183 Ų | 183 | 102.5 Ų | 102.5 | 69% | 0.691 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -68 | -42.5 | 176.2 | -74.3 | 173.2 | 97.3 | 157.2 | 6.1 | 111.3 | T264 T265 E266 N271 L272 | T264-R268 VanDerWaalsContact O-CG 3.26Å; T264-R268 WeakPolarHBondContact O-CG 3.11Å; T264-R268 PolarHBondContact O-N 3.46Å; T265-R268 PolarHBondContact O-N 3.13Å; E266-R268 VanDerWaalsContact C-N 3.3Å; E266-R268 PolarHBondContact O-N 3.32Å; R268-N271 PolarHBondContact O-N 2.86Å; R268-L272 WeakPolarHBondContact O-CG 3.39Å; R268-L272 PolarHBondContact O-N 2.95Å |
| 269 | L | 65.2 | Low | 65.8 | Low | 109 Ų | 109 | 101.2 Ų | 101.2 | 57% | 0.571 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.8 | -47.1 | 173.9 | -86.2 | 161.9 | 0 | 0 | 0 | 111.8 | T265 E266 N271 L272 E273 | T265-L269 PolarHBondContact O-N 3.36Å; E266-L269 PolarHBondContact O-N 3.45Å; L269-N271 VanDerWaalsContact C-N 3.32Å; L269-N271 PolarHBondContact O-N 2.97Å; L269-L272 PolarHBondContact O-N 3.24Å; L269-E273 PolarHBondContact O-N 3.01Å |
| 270 | L | 77.3 | Confident | 67.8 | Low | 108 Ų | 108 | 101.3 Ų | 101.3 | 57% | 0.565 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.1 | -36.9 | 176.8 | -83.1 | 162.4 | 0 | 0 | 0 | 112.9 | E266 S274 | E266-L270 WeakPolarHBondContact O-CB 3.42Å; E266-L270 PolarHBondContact O-N 2.95Å; L270-S274 WeakPolarHBondContact O-CB 3.46Å; L270-S274 PolarHBondContact O-N 3.36Å |
| 271 | N | 82 | Confident | 69.4 | Low | 91 Ų | 91 | 101.6 Ų | 101.6 | 49% | 0.487 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.4 | -41.1 | 176.7 | -167.4 | 24.4 | 0 | 0 | 0 | 111.5 | R267 R268 L269 S274 Q275 | R267-N271 WeakPolarHBondContact O-CB 3.3Å; R267-N271 PolarHBondContact O-N 3.38Å; R268-N271 PolarHBondContact O-N 2.86Å; L269-N271 VanDerWaalsContact C-N 3.32Å; L269-N271 PolarHBondContact O-N 2.97Å; N271-S274 PolarHBondContact O-N 2.84Å; N271-Q275 WeakPolarHBondContact O-CG 3.5Å; N271-Q275 PolarHBondContact O-N 3.42Å |
| 272 | L | 74.1 | Confident | 71.3 | Confident | 109 Ų | 109 | 98.2 Ų | 98.2 | 57% | 0.571 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.5 | -41.2 | 174.9 | -73.8 | 170.1 | 0 | 0 | 0 | 111.9 | R268 L269 Q275 L276 | R268-L272 WeakPolarHBondContact O-CG 3.39Å; R268-L272 PolarHBondContact O-N 2.95Å; L269-L272 PolarHBondContact O-N 3.24Å; L272-Q275 PolarHBondContact O-N 3.18Å; L272-L276 WeakPolarHBondContact O-CB 3.33Å; L272-L276 PolarHBondContact O-N 2.95Å |
| 273 | E | 78.5 | Confident | 72.5 | Confident | 118 Ų | 118 | 100 Ų | 100 | 55% | 0.551 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.6 | -42.8 | 173.3 | -91.3 | -171.8 | 148.4 | 0 | 0 | 112.2 | L269 L276 N277 | L269-E273 PolarHBondContact O-N 3.01Å; E273-L276 PolarHBondContact O-N 3.12Å; E273-N277 WeakPolarHBondContact O-CB 3.42Å; E273-N277 VanDerWaalsContact O-CG 3.32Å; E273-N277 PolarHBondContact O-N 3.31Å; E273-N277 PolarHBondContact O-ND2 3.49Å |
| 274 | S | 78.1 | Confident | 73.4 | Confident | 76 Ų | 76 | 102.5 Ų | 102.5 | 53% | 0.531 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 176.8 | -177 | 0 | 0 | 0 | 0 | 112 | L270 N271 N277 S278 | L270-S274 WeakPolarHBondContact O-CB 3.46Å; L270-S274 PolarHBondContact O-N 3.36Å; N271-S274 PolarHBondContact O-N 2.84Å; S274-N277 PolarHBondContact O-N 3.04Å; S274-S278 WeakPolarHBondContact O-CB 3.25Å; S274-S278 PolarHBondContact O-N 2.92Å |
| 275 | Q | 85.2 | Confident | 74.1 | Confident | 114 Ų | 114 | 104.5 Ų | 104.5 | 53% | 0.533 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.8 | -42.4 | 176.1 | -74.2 | -178.6 | -7.5 | 0 | 0 | 112.2 | N271 L272 S278 L279 | N271-Q275 WeakPolarHBondContact O-CG 3.5Å; N271-Q275 PolarHBondContact O-N 3.42Å; L272-Q275 PolarHBondContact O-N 3.18Å; Q275-S278 PolarHBondContact O-N 2.87Å; Q275-L279 WeakPolarHBondContact O-CB 3.31Å; Q275-L279 PolarHBondContact O-N 2.99Å |
| 276 | L | 79.5 | Confident | 74.3 | Confident | 105 Ų | 105 | 107.3 Ų | 107.3 | 55% | 0.55 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63 | -45.4 | 176.6 | -167.9 | 79.5 | 0 | 0 | 0 | 111.1 | L272 E273 S278 L279 I280 | L272-L276 WeakPolarHBondContact O-CB 3.33Å; L272-L276 PolarHBondContact O-N 2.95Å; E273-L276 PolarHBondContact O-N 3.12Å; L276-S278 PolarHBondContact O-N 3.49Å; L276-L279 PolarHBondContact O-N 3.02Å; L276-I280 HydrophobicContact CD2-CD1 4.36Å; L276-I280 HydrophobicContact CG-CD1 4.07Å; L276-I280 VanDerWaalsContact O-CG1 3.32Å; L276-I280 WeakPolarHBondContact O-CG1 3.16Å; L276-I280 PolarHBondContact O-N 3.41Å |
| 277 | N | 76.8 | Confident | 74.1 | Confident | 92 Ų | 92 | 105.6 Ų | 105.6 | 49% | 0.492 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.5 | -39 | 178.9 | -76.6 | -27.4 | 0 | 0 | 0 | 112.4 | E273 S274 L279 I280 T281 | E273-N277 WeakPolarHBondContact O-CB 3.42Å; E273-N277 VanDerWaalsContact O-CG 3.32Å; E273-N277 PolarHBondContact O-N 3.31Å; E273-N277 PolarHBondContact O-ND2 3.49Å; S274-N277 PolarHBondContact O-N 3.04Å; N277-L279 VanDerWaalsContact C-N 3.33Å; N277-I280 PolarHBondContact O-N 3.03Å; N277-T281 WeakPolarHBondContact O-CB 3.43Å; N277-T281 PolarHBondContact O-N 3.28Å; N277-T281 PolarHBondContact O-OG1 3.48Å |
| 278 | S | 76.6 | Confident | 73.4 | Confident | 79 Ų | 79 | 104.3 Ų | 104.3 | 55% | 0.552 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.3 | -44.5 | 171.6 | 169.5 | 0 | 0 | 0 | 0 | 111.6 | S274 Q275 L276 T281 S282 | S274-S278 WeakPolarHBondContact O-CB 3.25Å; S274-S278 PolarHBondContact O-N 2.92Å; Q275-S278 PolarHBondContact O-N 2.87Å; L276-S278 PolarHBondContact O-N 3.49Å; S278-T281 PolarHBondContact O-N 3.32Å; S278-S282 WeakPolarHBondContact O-CB 3.48Å; S278-S282 PolarHBondContact O-N 2.96Å |
| 279 | L | 76.9 | Confident | 72.4 | Confident | 115 Ų | 115 | 101.7 Ų | 101.7 | 60% | 0.602 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.5 | -44 | -179.8 | -158.1 | 74.9 | 0 | 0 | 0 | 111.8 | Q275 L276 N277 S282 H283 | Q275-L279 WeakPolarHBondContact O-CB 3.31Å; Q275-L279 PolarHBondContact O-N 2.99Å; L276-L279 PolarHBondContact O-N 3.02Å; N277-L279 VanDerWaalsContact C-N 3.33Å; L279-S282 PolarHBondContact O-N 3.44Å; L279-H283 WeakPolarHBondContact O-CB 3.25Å; L279-H283 PolarHBondContact O-N 3.49Å |
| 280 | I | 80.9 | Confident | 71.4 | Confident | 81 Ų | 81 | 101.5 Ų | 101.5 | 42% | 0.415 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.1 | -46 | 175.1 | -68.2 | 167 | 0 | 0 | 0 | 110.3 | L276 N277 S282 H283 L284 | L276-I280 HydrophobicContact CD2-CD1 4.36Å; L276-I280 HydrophobicContact CG-CD1 4.07Å; L276-I280 VanDerWaalsContact O-CG1 3.32Å; L276-I280 WeakPolarHBondContact O-CG1 3.16Å; L276-I280 PolarHBondContact O-N 3.41Å; N277-I280 PolarHBondContact O-N 3.03Å; I280-S282 PolarHBondContact O-N 3.47Å; I280-H283 PolarHBondContact O-N 3.25Å; I280-L284 HydrophobicContact CG2-CD1 3.84Å; I280-L284 HydrophobicContact CG2-CG 4.3Å; I280-L284 WeakPolarHBondContact O-CB 3.14Å; I280-L284 WeakPolarHBondContact O-CG 3.24Å; I280-L284 PolarHBondContact O-N 3.47Å |
| 281 | T | 76.4 | Confident | 69.6 | Low | 83 Ų | 83 | 103.6 Ų | 103.6 | 51% | 0.509 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 179.6 | -52.6 | 0 | 0 | 0 | 0 | 111.4 | N277 S278 H283 L284 M285 | N277-T281 WeakPolarHBondContact O-CB 3.43Å; N277-T281 PolarHBondContact O-N 3.28Å; N277-T281 PolarHBondContact O-OG1 3.48Å; S278-T281 PolarHBondContact O-N 3.32Å; T281-H283 VanDerWaalsContact C-N 3.34Å; T281-H283 PolarHBondContact O-N 2.98Å; T281-L284 PolarHBondContact O-N 3.33Å; T281-M285 WeakPolarHBondContact O-CB 3.42Å; T281-M285 VanDerWaalsContact O-CG 3.31Å; T281-M285 WeakPolarHBondContact O-CG 3.37Å; T281-M285 PolarHBondContact O-N 2.88Å |
| 282 | S | 74.4 | Confident | 67.4 | Low | 53 Ų | 53 | 106.5 Ų | 106.5 | 37% | 0.371 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.3 | -40.2 | 174.4 | -172.9 | 0 | 0 | 0 | 0 | 111.7 | S278 L279 I280 R286 | S278-S282 WeakPolarHBondContact O-CB 3.48Å; S278-S282 PolarHBondContact O-N 2.96Å; L279-S282 PolarHBondContact O-N 3.44Å; I280-S282 PolarHBondContact O-N 3.47Å; S282-R286 WeakPolarHBondContact O-CB 3.35Å; S282-R286 PolarHBondContact O-N 3.26Å; S282-R286 PolarHBondContact OG-NH2 2.95Å |
| 283 | H | 74.8 | Confident | 65.5 | Low | 106 Ų | 106 | 107.9 Ų | 107.9 | 49% | 0.491 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.1 | -45.4 | 176.5 | -125 | 68.9 | 0 | 0 | 0 | 111.8 | L279 I280 T281 R286 I287 | L279-H283 WeakPolarHBondContact O-CB 3.25Å; L279-H283 PolarHBondContact O-N 3.49Å; I280-H283 PolarHBondContact O-N 3.25Å; T281-H283 VanDerWaalsContact C-N 3.34Å; T281-H283 PolarHBondContact O-N 2.98Å; H283-R286 WeakPolarHBondContact O-CB 3.34Å; H283-R286 PolarHBondContact O-N 3.47Å; H283-I287 VanDerWaalsContact O-CG1 3.3Å; H283-I287 WeakPolarHBondContact O-CG1 3.32Å; H283-I287 PolarHBondContact O-N 2.89Å |
| 284 | L | 73.3 | Confident | 63.4 | Low | 90 Ų | 90 | 110.9 Ų | 110.9 | 47% | 0.471 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.5 | -43.8 | 176.6 | -71.3 | 173.3 | 0 | 0 | 0 | 111.5 | I280 T281 R286 I287 Y288 | I280-L284 HydrophobicContact CG2-CD1 3.84Å; I280-L284 HydrophobicContact CG2-CG 4.3Å; I280-L284 WeakPolarHBondContact O-CB 3.14Å; I280-L284 WeakPolarHBondContact O-CG 3.24Å; I280-L284 PolarHBondContact O-N 3.47Å; T281-L284 PolarHBondContact O-N 3.33Å; L284-R286 VanDerWaalsContact C-N 3.27Å; L284-R286 PolarHBondContact O-N 2.89Å; L284-I287 PolarHBondContact O-N 2.9Å; L284-Y288 WeakPolarHBondContact O-CB 3.43Å; L284-Y288 WeakPolarHBondContact O-CD2 3.4Å; L284-Y288 PolarHBondContact O-N 2.92Å |
| 285 | M | 70.1 | Confident | 61.2 | Low | 107 Ų | 107 | 112 Ų | 112 | 53% | 0.527 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.5 | -34.4 | 175 | -75 | -69.4 | -85.7 | 0 | 0 | 112.3 | T281 Q289 | T281-M285 WeakPolarHBondContact O-CB 3.42Å; T281-M285 VanDerWaalsContact O-CG 3.31Å; T281-M285 WeakPolarHBondContact O-CG 3.37Å; T281-M285 PolarHBondContact O-N 2.88Å; M285-Q289 WeakPolarHBondContact O-CB 3.41Å; M285-Q289 VanDerWaalsContact O-CG 3.29Å; M285-Q289 WeakPolarHBondContact O-CG 3.4Å; M285-Q289 PolarHBondContact O-N 3.49Å |
| 286 | R | 63.1 | Low | 58.6 | Low | 138 Ų | 138 | 116 Ų | 116 | 52% | 0.521 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -68.8 | -42.2 | 176 | -144.6 | 176.3 | -60.5 | 162.7 | 2.5 | 111.5 | S282 H283 L284 Q289 T290 | S282-R286 WeakPolarHBondContact O-CB 3.35Å; S282-R286 PolarHBondContact O-N 3.26Å; S282-R286 PolarHBondContact OG-NH2 2.95Å; H283-R286 WeakPolarHBondContact O-CB 3.34Å; H283-R286 PolarHBondContact O-N 3.47Å; L284-R286 VanDerWaalsContact C-N 3.27Å; L284-R286 PolarHBondContact O-N 2.89Å; R286-Q289 PolarHBondContact O-N 3.47Å; R286-T290 PolarHBondContact O-N 3.39Å; R286-T290 PolarHBondContact O-OG1 2.87Å; R286-T290 VanDerWaalsContact O-OG1 3.12Å |
| 287 | I | 60.1 | Low | 56.3 | Low | 79 Ų | 79 | 116.9 Ų | 116.9 | 41% | 0.405 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -63.1 | -46.8 | 175 | -66.3 | 164.7 | 0 | 0 | 0 | 110.2 | H283 L284 Q289 T290 E291 | H283-I287 VanDerWaalsContact O-CG1 3.3Å; H283-I287 WeakPolarHBondContact O-CG1 3.32Å; H283-I287 PolarHBondContact O-N 2.89Å; L284-I287 PolarHBondContact O-N 2.9Å; I287-Q289 VanDerWaalsContact C-N 3.33Å; I287-Q289 PolarHBondContact O-N 3.36Å; I287-T290 WeakPolarHBondContact CA-OG1 3.37Å; I287-T290 PolarHBondContact O-N 3.2Å; I287-T290 PolarHBondContact O-OG1 3.38Å; I287-E291 PolarHBondContact O-N 2.7Å |
| 288 | Y | 49.6 | Very low | 53.9 | Low | 154 Ų | 154 | 121 Ų | 121 | 60% | 0.604 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -65.3 | -31.9 | 177.7 | -91.3 | -77.2 | 0 | 0 | 0 | 113.3 | L284 | L284-Y288 WeakPolarHBondContact O-CB 3.43Å; L284-Y288 WeakPolarHBondContact O-CD2 3.4Å; L284-Y288 PolarHBondContact O-N 2.92Å |
| 289 | Q | 46.9 | Very low | 51.7 | Low | 129 Ų | 129 | 122.6 Ų | 122.6 | 60% | 0.603 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -76 | -27.7 | 174.5 | -76.3 | 178 | 11.8 | 0 | 0 | 113.1 | M285 R286 I287 | M285-Q289 WeakPolarHBondContact O-CB 3.41Å; M285-Q289 VanDerWaalsContact O-CG 3.29Å; M285-Q289 WeakPolarHBondContact O-CG 3.4Å; M285-Q289 PolarHBondContact O-N 3.49Å; R286-Q289 PolarHBondContact O-N 3.47Å; I287-Q289 VanDerWaalsContact C-N 3.33Å; I287-Q289 PolarHBondContact O-N 3.36Å |
| 290 | T | 45.6 | Very low | 49.3 | Very low | 105 Ų | 105 | 124.2 Ų | 124.2 | 64% | 0.644 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -74.7 | -24.5 | 175.3 | 44.7 | 0 | 0 | 0 | 0 | 113.6 | R286 I287 | R286-T290 PolarHBondContact O-N 3.39Å; R286-T290 PolarHBondContact O-OG1 2.87Å; R286-T290 VanDerWaalsContact O-OG1 3.12Å; I287-T290 WeakPolarHBondContact CA-OG1 3.37Å; I287-T290 PolarHBondContact O-N 3.2Å; I287-T290 PolarHBondContact O-OG1 3.38Å |
| 291 | E | 38.9 | Very low | 46.9 | Very low | 151 Ų | 151 | 126.8 Ų | 126.8 | 71% | 0.706 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -9.5 | 178.7 | -70.7 | -172.9 | 165.4 | 0 | 0 | 114.1 | I287 | I287-E291 PolarHBondContact O-N 2.7Š|
| 292 | H | 35.8 | Very low | 44.7 | Very low | 153 Ų | 153 | 131.2 Ų | 131.2 | 71% | 0.708 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | 12.6 | -170.5 | -114.6 | -37.8 | 0 | 0 | 0 | 117.2 | ||
| 293 | I | 34.2 | Very low | 42.5 | Very low | 138 Ų | 138 | 135.6 Ų | 135.6 | 71% | 0.708 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -93.5 | -5.2 | -177.2 | -61.9 | 180 | 0 | 0 | 0 | 114.2 | ||
| 294 | H | 33.8 | Very low | 40.1 | Very low | 180 Ų | 180 | 135.7 Ų | 135.7 | 83% | 0.833 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -125.5 | 76.1 | 179.8 | -78.4 | -66.3 | 0 | 0 | 0 | 114.3 | ||
| 295 | S | 32 | Very low | 37.9 | Very low | 100 Ų | 100 | 136.6 Ų | 136.6 | 70% | 0.699 | 72% | 0.717 | S | S | * | * | trans | -177.6 | 94.1 | 148.6 | 53.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 296 | K | 30.2 | Very low | 35.9 | Very low | 199 Ų | 199 | 138.1 Ų | 138.1 | 87% | 0.865 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 125 | 156.7 | -94.1 | -177.8 | 176.7 | 177.6 | 0 | 107.8 | H298 | K296-H298 PolarHBondContact O-N 2.91Š|
| 297 | P | 31.6 | Very low | 34.3 | Very low | 123 Ų | 123 | 140.3 Ų | 140.3 | 80% | 0.799 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 117.3 | -176 | 29.4 | -30.5 | 0 | 0 | 0 | 110.1 | S299 | P297-S299 PolarHBondContact O-N 3.32Š|
| 298 | H | 26.8 | Very low | 32.6 | Very low | 178 Ų | 178 | 144.7 Ų | 144.7 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 117.3 | 160.4 | -79.9 | -80.6 | 0 | 0 | 0 | 109 | K296 | K296-H298 PolarHBondContact O-N 2.91Š|
| 299 | S | 29.8 | Very low | 31.7 | Very low | 112 Ų | 112 | 144.2 Ų | 144.2 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | trans | -137.8 | 93.3 | 155.1 | 64.7 | 0 | 0 | 0 | 0 | 109 | P297 | P297-S299 PolarHBondContact O-N 3.32Š| ||
| 300 | N | 28 | Very low | 30.9 | Very low | 150 Ų | 150 | 144.5 Ų | 144.5 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | trans | -65.9 | 119.3 | 163.6 | -75.1 | -28.5 | 0 | 0 | 0 | 109.4 | ||||
| 301 | V | 29.3 | Very low | 30 | Very low | 134 Ų | 134 | 148 Ų | 148 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | trans | -147.9 | 91.1 | 147.1 | -175.9 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 302 | L | 29.9 | Very low | 29.6 | Very low | 176 Ų | 176 | 150.1 Ų | 150.1 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | trans | -131.4 | 128 | 162.3 | -94.1 | 166.5 | 0 | 0 | 0 | 108.8 | ||||
| 303 | N | 29.3 | Very low | 29.2 | Very low | 145 Ų | 145 | 148.6 Ų | 148.6 | 78% | 0.775 | 80% | 0.803 | S | S | * | * | trans | -55.9 | 144.9 | -175.4 | -82.6 | -29.8 | 0 | 0 | 0 | 113.5 | ||||
| 304 | S | 24.6 | Very low | 28.9 | Very low | 109 Ų | 109 | 147.8 Ų | 147.8 | 76% | 0.762 | 81% | 0.808 | S | S | * | * | trans | -7.7 | 120.5 | 147.4 | 59.2 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 305 | S | 27.2 | Very low | 28.7 | Very low | 109 Ų | 109 | 145.6 Ų | 145.6 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | trans | -153.4 | 105.6 | 130.5 | 52.5 | 0 | 0 | 0 | 0 | 109.2 | Q307 | S305-Q307 PolarHBondContact O-N 3.21Š| ||
| 306 | V | 27.7 | Very low | 28.5 | Very low | 138 Ų | 138 | 147.5 Ų | 147.5 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | trans | -70 | 113.3 | 167.5 | 172.8 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 307 | Q | 28.2 | Very low | 28.6 | Very low | 185 Ų | 185 | 144.7 Ų | 144.7 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | trans | -122.6 | 102.5 | 159 | -97.8 | 178.1 | -23.9 | 0 | 0 | 107.4 | S305 | S305-Q307 PolarHBondContact O-N 3.21Š| ||
| 308 | E | 24.7 | Very low | 28.4 | Very low | 170 Ų | 170 | 146.1 Ų | 146.1 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | -45.5 | 132.3 | 158.5 | -64.5 | 170.5 | 142 | 0 | 0 | 109.4 | ||||
| 309 | N | 30.8 | Very low | 28.6 | Very low | 145 Ų | 145 | 142 Ų | 142 | 78% | 0.775 | 81% | 0.808 | S | S | * | * | trans | -170.6 | 130.3 | 141.7 | -95.2 | -29.6 | 0 | 0 | 0 | 111.4 | ||||
| 310 | N | 30.8 | Very low | 28.7 | Very low | 135 Ų | 135 | 145.6 Ų | 145.6 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | trans | 82 | 73.7 | 153.5 | -54.6 | -29.6 | 0 | 0 | 0 | 117.6 | K312 | N310-K312 PolarHBondContact O-N 2.72Š| ||
| 311 | L | 26.5 | Very low | 28.8 | Very low | 177 Ų | 177 | 146.4 Ų | 146.4 | 93% | 0.927 | 81% | 0.813 | S | S | * | * | trans | -47.2 | 114 | 136.1 | -92.1 | 75.2 | 0 | 0 | 0 | 109 | ||||
| 312 | K | 31.4 | Very low | 28.7 | Very low | 196 Ų | 196 | 148.3 Ų | 148.3 | 85% | 0.852 | 81% | 0.813 | S | S | * | * | trans | -105.5 | 108.5 | 159.8 | -92.7 | -175.1 | 176.2 | -179.6 | 0 | 109 | N310 | N310-K312 PolarHBondContact O-N 2.72Š| ||
| 313 | T | 26.5 | Very low | 28.7 | Very low | 122 Ų | 122 | 146.1 Ų | 146.1 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | trans | -44.9 | 124.6 | 158.3 | 46.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 314 | C | 28.9 | Very low | 28.7 | Very low | 121 Ų | 121 | 146.4 Ų | 146.4 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -135.1 | 93.4 | 151.1 | -81.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 315 | D | 28.8 | Very low | 28.8 | Very low | 134 Ų | 134 | 147.2 Ų | 147.2 | 72% | 0.717 | 82% | 0.815 | S | S | * | * | trans | 43.8 | 98.4 | 130.9 | -57.3 | -22.8 | 0 | 0 | 0 | 118.8 | V317 | D315-V317 PolarHBondContact O-N 3.06Š| ||
| 316 | T | 28.7 | Very low | 28.9 | Very low | 139 Ų | 139 | 146.7 Ų | 146.7 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | -28.5 | 111.3 | 133.8 | 43.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 317 | V | 32.1 | Very low | 29 | Very low | 141 Ų | 141 | 150.8 Ų | 150.8 | 86% | 0.855 | 81% | 0.811 | S | S | * | * | trans | -110.8 | 119.6 | 150.3 | 178.5 | 0 | 0 | 0 | 0 | 107.9 | D315 | D315-V317 PolarHBondContact O-N 3.06Š| ||
| 318 | N | 27.2 | Very low | 29.1 | Very low | 152 Ų | 152 | 148.5 Ų | 148.5 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | trans | -88.9 | 118.8 | -178.1 | -160 | 16.2 | 0 | 0 | 0 | 107.4 | ||||
| 319 | A | 31.1 | Very low | 29.3 | Very low | 93 Ų | 93 | 148.1 Ų | 148.1 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | trans | -158.1 | 98.6 | 161 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 320 | K | 30.3 | Very low | 29.3 | Very low | 187 Ų | 187 | 147.9 Ų | 147.9 | 81% | 0.813 | 81% | 0.812 | S | S | * | * | trans | -71.4 | 126.5 | 155.7 | -70.8 | 176.3 | 172.3 | -177 | 0 | 106.8 | ||||
| 321 | D | 30.3 | Very low | 29.5 | Very low | 167 Ų | 167 | 148.2 Ų | 148.2 | 89% | 0.893 | 82% | 0.819 | S | S | * | * | trans | -146.6 | 111.6 | 145.6 | -94 | -30.6 | 0 | 0 | 0 | 107.8 | ||||
| 322 | E | 27.8 | Very low | 29.5 | Very low | 174 Ų | 174 | 148.1 Ų | 148.1 | 81% | 0.813 | 82% | 0.818 | S | S | * | * | trans | -74.4 | 163.9 | 164.6 | -69.1 | 176.1 | 159.6 | 0 | 0 | 109.1 | ||||
| 323 | T | 30.2 | Very low | 29.3 | Very low | 129 Ų | 129 | 148.3 Ų | 148.3 | 79% | 0.791 | 82% | 0.822 | S | S | * | * | trans | 91.1 | 90.3 | 172 | 76.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 324 | N | 29.6 | Very low | 29.6 | Very low | 152 Ų | 152 | 148 Ų | 148 | 81% | 0.813 | 83% | 0.825 | S | S | * | * | -172.2 | 116 | 106.6 | -104.4 | -26.2 | 0 | 0 | 0 | 111.9 | |||||
| 325 | S | 25.7 | Very low | 29.7 | Very low | 126 Ų | 126 | 148.8 Ų | 148.8 | 88% | 0.881 | 83% | 0.826 | S | S | * | * | trans | -76.6 | 107.8 | 160.7 | 172.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 326 | S | 28.8 | Very low | 29.8 | Very low | 97 Ų | 97 | 151.1 Ų | 151.1 | 68% | 0.678 | 83% | 0.832 | S | S | * | * | trans | -177.7 | 145.7 | 151.7 | 56.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 327 | R | 30 | Very low | 29.9 | Very low | 224 Ų | 224 | 152.2 Ų | 152.2 | 85% | 0.845 | 83% | 0.833 | S | S | * | * | trans | 71.2 | 97.4 | -178.5 | -75.2 | 176.5 | 158.1 | 165.7 | -4.8 | 116.2 | ||||
| 328 | V | 31.5 | Very low | 29.8 | Very low | 137 Ų | 137 | 153.1 Ų | 153.1 | 83% | 0.83 | 83% | 0.833 | S | S | * | * | -168.4 | 82.5 | 111.8 | 179.7 | 0 | 0 | 0 | 0 | 105.6 | |||||
| 329 | N | 28.8 | Very low | 29.9 | Very low | 163 Ų | 163 | 153.8 Ų | 153.8 | 87% | 0.872 | 84% | 0.836 | S | S | * | * | trans | -155.3 | 52.8 | 167.3 | -100.6 | -9.6 | 0 | 0 | 0 | 108 | ||||
| 330 | D | 29.8 | Very low | 29.8 | Very low | 140 Ų | 140 | 155.4 Ų | 155.4 | 75% | 0.749 | 84% | 0.84 | S | S | * | * | trans | -137.5 | 96 | 171.6 | -73.5 | -39.7 | 0 | 0 | 0 | 106.9 | ||||
| 331 | T | 34.6 | Very low | 29.6 | Very low | 142 Ų | 142 | 154.8 Ų | 154.8 | 87% | 0.871 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -170.4 | 14.7 | 160.8 | 10.4 | 0 | 0 | 0 | 0 | 116 | ||
| 332 | L | 26.8 | Very low | 29.5 | Very low | 174 Ų | 174 | 155 Ų | 155 | 91% | 0.911 | 84% | 0.835 | S | S | * | * | S | Bend | trans | -132.3 | 3.6 | 178.5 | -92.3 | 165.6 | 0 | 0 | 0 | 116.7 | ||
| 333 | E | 27.9 | Very low | 29.7 | Very low | 200 Ų | 200 | 154.8 Ų | 154.8 | 94% | 0.935 | 84% | 0.838 | S | S | * | * | trans | -115.4 | 86.9 | 168.8 | -78 | -175.2 | 163.2 | 0 | 0 | 110.3 | ||||
| 334 | S | 32.3 | Very low | 29.7 | Very low | 115 Ų | 115 | 154 Ų | 154 | 80% | 0.804 | 84% | 0.835 | S | S | * | * | trans | -155.6 | 9.2 | 167.9 | -171.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 335 | V | 31.1 | Very low | 29.5 | Very low | 139 Ų | 139 | 155.7 Ų | 155.7 | 84% | 0.842 | 84% | 0.838 | S | S | * | * | S | Bend | trans | -138.3 | 66.4 | 179.4 | -166.5 | 0 | 0 | 0 | 0 | 110.9 | ||
| 336 | H | 30.7 | Very low | 29.7 | Very low | 182 Ų | 182 | 158 Ų | 158 | 84% | 0.843 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -167 | 37.8 | 151 | -140 | -53.8 | 0 | 0 | 0 | 115.7 | ||
| 337 | N | 31.1 | Very low | 29.8 | Very low | 163 Ų | 163 | 160.7 Ų | 160.7 | 87% | 0.872 | 83% | 0.834 | S | S | * | * | trans | -138.4 | 74.5 | 171.7 | -93.7 | -21.1 | 0 | 0 | 0 | 110.3 | ||||
| 338 | D | 30.2 | Very low | 29.7 | Very low | 160 Ų | 160 | 156.4 Ų | 156.4 | 86% | 0.856 | 83% | 0.832 | S | S | * | * | trans | -152.9 | 72.6 | 162.2 | -92.6 | -27.2 | 0 | 0 | 0 | 107.7 | ||||
| 339 | L | 28.8 | Very low | 29.6 | Very low | 166 Ų | 166 | 159.2 Ų | 159.2 | 87% | 0.869 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -168.3 | 132 | 154.3 | -126.7 | 78.9 | 0 | 0 | 0 | 106.9 | ||
| 340 | C | 29.2 | Very low | 29.5 | Very low | 126 Ų | 126 | 158.5 Ų | 158.5 | 85% | 0.851 | 83% | 0.83 | S | S | * | * | trans | 90.6 | 62.3 | -177.5 | -56.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 341 | Q | 26.3 | Very low | 29.5 | Very low | 174 Ų | 174 | 155.2 Ų | 155.2 | 81% | 0.813 | 83% | 0.829 | S | S | * | * | trans | -133.1 | 147.3 | 139.7 | -75.7 | -167.6 | -3 | 0 | 0 | 110.1 | ||||
| 342 | H | 29.4 | Very low | 29.1 | Very low | 172 Ų | 172 | 156.9 Ų | 156.9 | 80% | 0.796 | 83% | 0.827 | S | S | * | * | trans | 89.8 | 100.7 | 176.2 | -59.2 | -44 | 0 | 0 | 0 | 117.6 | ||||
| 343 | I | 30.8 | Very low | 29.1 | Very low | 170 Ų | 170 | 156.3 Ų | 156.3 | 87% | 0.872 | 82% | 0.824 | S | S | * | * | -168.3 | 145 | 107.9 | -87.6 | 153.3 | 0 | 0 | 0 | 108 | |||||
| 344 | P | 30.2 | Very low | 29.1 | Very low | 113 Ų | 113 | 154 Ų | 154 | 73% | 0.734 | 81% | 0.813 | S | S | * | * | trans | -104.8 | 158 | -142.3 | 36.5 | -27.6 | 0 | 0 | 0 | 115.1 | ||||
| 345 | E | 25.3 | Very low | 29 | Very low | 186 Ų | 186 | 154.5 Ų | 154.5 | 87% | 0.869 | 81% | 0.811 | S | S | * | * | trans | -58.2 | 129 | 162.2 | -62.6 | 173.1 | 159.2 | 0 | 0 | 110.7 | ||||
| 346 | K | 29.5 | Very low | 28.8 | Very low | 176 Ų | 176 | 156.5 Ų | 156.5 | 77% | 0.765 | 81% | 0.812 | S | S | * | * | trans | -162.8 | 128.8 | 152.4 | -110.5 | -180 | 173.1 | -121.5 | 0 | 112.9 | ||||
| 347 | E | 32.3 | Very low | 28.8 | Very low | 153 Ų | 153 | 154 Ų | 154 | 72% | 0.715 | 81% | 0.809 | S | S | * | * | trans | 81.6 | 88.8 | 145 | -67.7 | 168 | -152.8 | 0 | 0 | 118.5 | F349 | E347-F349 PolarHBondContact O-N 3.32Š| ||
| 348 | V | 27.5 | Very low | 28.7 | Very low | 133 Ų | 133 | 152.7 Ų | 152.7 | 81% | 0.806 | 80% | 0.802 | S | S | * | * | trans | -52.8 | 115.4 | 146.4 | 176 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 349 | F | 28.6 | Very low | 28.7 | Very low | 197 Ų | 197 | 153.3 Ų | 153.3 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | trans | -125.3 | 113.1 | 162.7 | -154.8 | -95.1 | 0 | 0 | 0 | 109.1 | E347 | E347-F349 PolarHBondContact O-N 3.32Š| ||
| 350 | N | 27.3 | Very low | 28.7 | Very low | 147 Ų | 147 | 153 Ų | 153 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | trans | -66.8 | 125.1 | 170.5 | -74.5 | -28.7 | 0 | 0 | 0 | 109.2 | ||||
| 351 | G | 29.8 | Very low | 28.7 | Very low | 71 Ų | 71 | 152.2 Ų | 152.2 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | trans | -146.2 | 93.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 352 | E | 26.3 | Very low | 28.9 | Very low | 177 Ų | 177 | 152.2 Ų | 152.2 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | trans | -57.3 | 131.8 | 168.2 | -67.5 | 169.3 | 152.7 | 0 | 0 | 110.2 | ||||
| 353 | L | 26.4 | Very low | 28.9 | Very low | 163 Ų | 163 | 151.6 Ų | 151.6 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -145.1 | 96.7 | 155.1 | -109 | 150.3 | 0 | 0 | 0 | 108.2 | T355 | L353-T355 PolarHBondContact O-N 3Š| ||
| 354 | H | 28 | Very low | 28.8 | Very low | 150 Ų | 150 | 151.7 Ų | 151.7 | 69% | 0.694 | 80% | 0.804 | S | S | * | * | trans | -56.3 | 121.9 | 161.8 | -76.6 | -82.4 | 0 | 0 | 0 | 110.3 | ||||
| 355 | T | 30.5 | Very low | 28.9 | Very low | 127 Ų | 127 | 156.1 Ų | 156.1 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | trans | -142.5 | 76.7 | 145.5 | 43.9 | 0 | 0 | 0 | 0 | 108.9 | L353 T357 | L353-T355 PolarHBondContact O-N 3Å; T355-T357 PolarHBondContact O-N 2.96Å; T355-T357 VanDerWaalsContact O-N 3.15Å | ||
| 356 | E | 27.7 | Very low | 29 | Very low | 181 Ų | 181 | 153.7 Ų | 153.7 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | trans | -67.9 | 98.4 | 158.9 | -78 | -179.9 | 146.2 | 0 | 0 | 108.7 | ||||
| 357 | T | 30.6 | Very low | 28.9 | Very low | 129 Ų | 129 | 154 Ų | 154 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | trans | -98.4 | 98.2 | 157.3 | 38.3 | 0 | 0 | 0 | 0 | 109.3 | T355 L359 | T355-T357 PolarHBondContact O-N 2.96Å; T355-T357 VanDerWaalsContact O-N 3.15Å; T357-L359 PolarHBondContact O-N 3.5Å | ||
| 358 | N | 29.1 | Very low | 28.7 | Very low | 136 Ų | 136 | 151.9 Ų | 151.9 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | trans | -43.7 | 110.5 | 166.4 | -150.8 | -17.2 | 0 | 0 | 0 | 112.3 | ||||
| 359 | L | 29.1 | Very low | 29 | Very low | 172 Ų | 172 | 153.4 Ų | 153.4 | 90% | 0.901 | 82% | 0.818 | S | S | * | * | trans | -137.7 | 63.7 | 165.6 | -80.9 | 171.4 | 0 | 0 | 0 | 109 | T357 | T357-L359 PolarHBondContact O-N 3.5Š| ||
| 360 | Q | 28.2 | Very low | 29 | Very low | 160 Ų | 160 | 151.5 Ų | 151.5 | 75% | 0.748 | 82% | 0.815 | S | S | * | * | trans | -97.5 | 149.7 | 159.2 | -104.3 | 103.6 | -8.9 | 0 | 0 | 110 | ||||
| 361 | S | 29.4 | Very low | 29 | Very low | 109 Ų | 109 | 151.7 Ų | 151.7 | 76% | 0.762 | 82% | 0.816 | S | S | * | * | trans | 88.1 | 84.9 | 167.1 | 77.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 362 | N | 31.6 | Very low | 29.1 | Very low | 174 Ų | 174 | 157.9 Ų | 157.9 | 93% | 0.93 | 82% | 0.822 | S | S | * | * | trans | -136.5 | 75.7 | 142.7 | -94.6 | -27.1 | 0 | 0 | 0 | 107.5 | ||||
| 363 | N | 28.4 | Very low | 29.4 | Very low | 160 Ų | 160 | 155 Ų | 155 | 86% | 0.856 | 82% | 0.822 | S | S | * | * | trans | -139.3 | 65 | 175.6 | -124.7 | -15.3 | 0 | 0 | 0 | 108.6 | ||||
| 364 | L | 29.8 | Very low | 29.3 | Very low | 171 Ų | 171 | 155.3 Ų | 155.3 | 90% | 0.895 | 82% | 0.823 | S | S | * | * | trans | -149.4 | 96.1 | 171.1 | -78 | 176.8 | 0 | 0 | 0 | 108.9 | ||||
| 365 | K | 31.8 | Very low | 29.4 | Very low | 207 Ų | 207 | 153.1 Ų | 153.1 | 90% | 0.9 | 83% | 0.825 | S | S | * | * | trans | 175.1 | 59.3 | 146.9 | -103 | 175.2 | 178.6 | 178.8 | 0 | 111.5 | ||||
| 366 | V | 28 | Very low | 29.3 | Very low | 135 Ų | 135 | 155.8 Ų | 155.8 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -140 | 74.8 | 160.1 | -174.4 | 0 | 0 | 0 | 0 | 106 | ||
| 367 | Q | 25.8 | Very low | 29.9 | Very low | 181 Ų | 181 | 152.5 Ų | 152.5 | 85% | 0.846 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -173.4 | 58.7 | 158.3 | -142.1 | 65.1 | 1.5 | 0 | 0 | 112.1 | ||
| 368 | S | 29.7 | Very low | 29.8 | Very low | 109 Ų | 109 | 153 Ų | 153 | 76% | 0.762 | 83% | 0.825 | S | S | * | * | trans | -166.9 | 110.2 | 154.7 | 66.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 369 | I | 32.7 | Very low | 29.9 | Very low | 166 Ų | 166 | 156 Ų | 156 | 85% | 0.851 | 84% | 0.835 | S | S | * | * | S | Bend | trans | 160.2 | 56.1 | 149.4 | -72.4 | 149.5 | 0 | 0 | 0 | 105.3 | ||
| 370 | I | 27.9 | Very low | 29.8 | Very low | 157 Ų | 157 | 155.9 Ų | 155.9 | 81% | 0.805 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -144 | 91.9 | 154.7 | -57.6 | -179 | 0 | 0 | 0 | 102.1 | ||
| 371 | D | 27.6 | Very low | 29.6 | Very low | 150 Ų | 150 | 156.8 Ų | 156.8 | 80% | 0.802 | 84% | 0.839 | S | S | * | * | trans | 157.8 | 131.8 | 154.2 | -80 | -19.4 | 0 | 0 | 0 | 110.3 | ||||
| 372 | K | 33 | Very low | 29.7 | Very low | 201 Ų | 201 | 155 Ų | 155 | 87% | 0.874 | 84% | 0.837 | S | S | * | * | trans | 91.3 | 107.9 | -167.3 | -58.1 | 175.8 | -178.4 | -179.9 | 0 | 111.9 | ||||
| 373 | S | 31.1 | Very low | 29.5 | Very low | 116 Ų | 116 | 151.8 Ų | 151.8 | 81% | 0.811 | 84% | 0.835 | S | S | * | * | cis | -157.8 | 133.8 | 22.8 | -63 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 374 | L | 25.3 | Very low | 29.8 | Very low | 170 Ų | 170 | 152.9 Ų | 152.9 | 89% | 0.89 | 84% | 0.835 | S | S | * | * | trans | -74 | 137.7 | 160.4 | -76.4 | 146.6 | 0 | 0 | 0 | 110 | ||||
| 375 | S | 30.1 | Very low | 29.7 | Very low | 104 Ų | 104 | 150.8 Ų | 150.8 | 73% | 0.727 | 83% | 0.825 | S | S | * | * | trans | 147.7 | 95.1 | 145 | 65.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 376 | H | 27.5 | Very low | 29.7 | Very low | 184 Ų | 184 | 149.8 Ų | 149.8 | 85% | 0.852 | 83% | 0.829 | S | S | * | * | 77.5 | 148.6 | 101.9 | -80 | 14 | 0 | 0 | 0 | 115.4 | |||||
| 377 | P | 41.7 | Very low | 29.7 | Very low | 112 Ų | 112 | 150.3 Ų | 150.3 | 73% | 0.727 | 82% | 0.822 | S | S | * | * | cis | -135.4 | 174.5 | -26.6 | 37 | -18.2 | 0 | 0 | 0 | 114.2 | Q379 | P377-Q379 PolarHBondContact O-N 3.46Š| ||
| 378 | V | 27 | Very low | 29.9 | Very low | 140 Ų | 140 | 148.9 Ų | 148.9 | 85% | 0.848 | 82% | 0.815 | S | S | * | * | trans | -37.2 | 116.7 | 170.4 | 178.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 379 | Q | 31.5 | Very low | 29.9 | Very low | 197 Ų | 197 | 151.9 Ų | 151.9 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | trans | -103.5 | 112.6 | 158.4 | -93.7 | -179.4 | -14.7 | 0 | 0 | 109.4 | P377 | P377-Q379 PolarHBondContact O-N 3.46Š| ||
| 380 | Q | 26.9 | Very low | 29.7 | Very low | 170 Ų | 170 | 150.5 Ų | 150.5 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | trans | -75.1 | 145.7 | 163 | -139.8 | 173.9 | 9.6 | 0 | 0 | 108.2 | ||||
| 381 | L | 25.6 | Very low | 30 | Very low | 179 Ų | 179 | 151.7 Ų | 151.7 | 94% | 0.937 | 82% | 0.818 | S | S | * | * | trans | 125.5 | 110.8 | 158.6 | -68.7 | 157.7 | 0 | 0 | 0 | 113.1 | ||||
| 382 | G | 30.4 | Very low | 30.1 | Very low | 71 Ų | 71 | 149 Ų | 149 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | trans | 173.8 | 48.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q384 | G382-Q384 PolarHBondContact O-N 2.9Å; G382-Q384 VanDerWaalsContact O-N 3.17Å | ||
| 383 | A | 28.7 | Very low | 29.8 | Very low | 108 Ų | 108 | 144.6 Ų | 144.6 | 89% | 0.893 | 81% | 0.805 | S | S | * | * | trans | -68.5 | 104.8 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 384 | Q | 34.5 | Very low | 29.8 | Very low | 182 Ų | 182 | 145.7 Ų | 145.7 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | trans | -99 | 107.1 | 170.8 | -83.1 | -178.2 | -13.7 | 0 | 0 | 109.9 | G382 | G382-Q384 PolarHBondContact O-N 2.9Å; G382-Q384 VanDerWaalsContact O-N 3.17Å | ||
| 385 | N | 28 | Very low | 29.9 | Very low | 128 Ų | 128 | 145.3 Ų | 145.3 | 68% | 0.684 | 80% | 0.803 | S | S | * | * | trans | 40.2 | 93.8 | 132 | -71.1 | -22.1 | 0 | 0 | 0 | 117.9 | ||||
| 386 | L | 30.1 | Very low | 29.9 | Very low | 186 Ų | 186 | 151.2 Ų | 151.2 | 97% | 0.974 | 81% | 0.809 | S | S | * | * | trans | -120.1 | 100.3 | 135.6 | -93.6 | 158.2 | 0 | 0 | 0 | 107.8 | ||||
| 387 | Q | 29.5 | Very low | 30.1 | Very low | 146 Ų | 146 | 151.4 Ų | 151.4 | 68% | 0.682 | 81% | 0.807 | S | S | * | * | trans | -73.9 | 147.2 | 177.7 | -77.8 | 177.3 | -22.4 | 0 | 0 | 111.1 | ||||
| 388 | H | 29.4 | Very low | 29.5 | Very low | 151 Ų | 151 | 154 Ų | 154 | 70% | 0.699 | 81% | 0.81 | S | S | * | * | trans | 54.1 | 103.5 | 141.2 | -81.3 | -93.5 | 0 | 0 | 0 | 118.9 | ||||
| 389 | L | 30 | Very low | 29.4 | Very low | 172 Ų | 172 | 152.8 Ų | 152.8 | 90% | 0.901 | 81% | 0.808 | S | S | * | * | -148.9 | 83.6 | 127.8 | -101.5 | 146.8 | 0 | 0 | 0 | 108.4 | |||||
| 390 | N | 28.6 | Very low | 29.3 | Very low | 136 Ų | 136 | 150.5 Ų | 150.5 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | trans | -79.9 | 117.8 | 161.8 | -88.5 | -30.8 | 0 | 0 | 0 | 107.8 | ||||
| 391 | H | 33.2 | Very low | 29.5 | Very low | 182 Ų | 182 | 148.3 Ų | 148.3 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | -132.8 | 125.6 | 148.2 | -89.3 | 2.3 | 0 | 0 | 0 | 109.8 | ||||
| 392 | S | 28.9 | Very low | 29.5 | Very low | 95 Ų | 95 | 147 Ų | 147 | 66% | 0.664 | 79% | 0.792 | S | S | * | * | trans | -42.4 | 131.7 | -179.1 | 53.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 393 | S | 27.8 | Very low | 29.5 | Very low | 108 Ų | 108 | 155.3 Ų | 155.3 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | 53.3 | 87.7 | 71.1 | 81.7 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 394 | T | 30.7 | Very low | 29.5 | Very low | 138 Ų | 138 | 157.3 Ų | 157.3 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | trans | -133.3 | 85.4 | 151.7 | -33.2 | 0 | 0 | 0 | 0 | 108.9 | R396 | T394-R396 PolarHBondContact O-N 3.39Š| ||
| 395 | M | 28.7 | Very low | 29.3 | Very low | 162 Ų | 162 | 157.9 Ų | 157.9 | 80% | 0.798 | 80% | 0.8 | S | S | * | * | trans | -71.4 | 114.7 | 167.1 | -84.2 | -99.7 | 143.1 | 0 | 0 | 109 | K397 | M395-K397 HydrophobicContact SD-CG 4.37Š| ||
| 396 | R | 29.9 | Very low | 29.3 | Very low | 229 Ų | 229 | 158 Ų | 158 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | trans | -116.1 | 82.6 | 162.9 | -145.4 | 177.4 | -160.2 | 174.1 | 4.9 | 108.2 | T394 Q398 | T394-R396 PolarHBondContact O-N 3.39Å; R396-Q398 PolarHBondContact O-N 2.94Å | ||
| 397 | K | 30.1 | Very low | 29.3 | Very low | 187 Ų | 187 | 152.5 Ų | 152.5 | 81% | 0.813 | 80% | 0.795 | S | S | * | * | trans | -76.8 | 109.6 | 167.1 | -80.9 | -179.4 | 174.8 | 178.5 | 0 | 108 | M395 | M395-K397 HydrophobicContact SD-CG 4.37Š| ||
| 398 | Q | 30.2 | Very low | 29.4 | Very low | 166 Ų | 166 | 152.4 Ų | 152.4 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | trans | -99.9 | 113.5 | 159.6 | -85.8 | 178.4 | -21.5 | 0 | 0 | 108 | R396 | R396-Q398 PolarHBondContact O-N 2.94Š| ||
| 399 | S | 25.3 | Very low | 29.4 | Very low | 115 Ų | 115 | 150.2 Ų | 150.2 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -70.4 | 122.9 | 168.4 | 49.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 400 | I | 29 | Very low | 29.6 | Very low | 150 Ų | 150 | 149 Ų | 149 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | trans | -127.9 | 99 | 164.5 | -64.2 | 179.9 | 0 | 0 | 0 | 108.6 | ||||
| 401 | V | 30.3 | Very low | 29.5 | Very low | 123 Ų | 123 | 150.9 Ų | 150.9 | 75% | 0.745 | 81% | 0.808 | S | S | * | * | trans | 49.6 | 111.5 | 132.3 | -174.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 402 | D | 25.5 | Very low | 29.4 | Very low | 152 Ų | 152 | 148 Ų | 148 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | trans | -40.4 | 128 | 154.8 | -68.6 | -54.2 | 0 | 0 | 0 | 113.8 | ||||
| 403 | R | 31.6 | Very low | 29.4 | Very low | 245 Ų | 245 | 151.7 Ų | 151.7 | 93% | 0.925 | 81% | 0.813 | S | S | * | * | trans | -128 | 102.7 | 152.4 | -91.8 | -171.7 | 174.1 | -178.4 | -0.8 | 110.2 | ||||
| 404 | N | 27.4 | Very low | 29.3 | Very low | 150 Ų | 150 | 152.1 Ų | 152.1 | 80% | 0.802 | 82% | 0.816 | S | S | * | * | trans | -45.1 | 133.8 | 156.4 | -71 | -44.4 | 0 | 0 | 0 | 111.9 | ||||
| 405 | Q | 31.1 | Very low | 29.3 | Very low | 195 Ų | 195 | 152.3 Ų | 152.3 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | trans | -156.6 | 128.8 | 137.6 | -105 | -172.8 | 13 | 0 | 0 | 111.1 | ||||
| 406 | P | 29.2 | Very low | 29.3 | Very low | 130 Ų | 130 | 150.6 Ų | 150.6 | 84% | 0.844 | 81% | 0.811 | S | S | * | * | trans | -105 | 158.4 | 179.9 | 38.5 | -30.9 | 0 | 0 | 0 | 113.4 | ||||
| 407 | G | 29.9 | Very low | 29.2 | Very low | 70 Ų | 70 | 143.1 Ų | 143.1 | 72% | 0.722 | 81% | 0.806 | S | S | * | * | trans | 130.8 | 116.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 408 | T | 31.8 | Very low | 29 | Very low | 144 Ų | 144 | 145.4 Ų | 145.4 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | -160.5 | 138.1 | 54.2 | 42.2 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 409 | S | 28.4 | Very low | 29.1 | Very low | 105 Ų | 105 | 144.8 Ų | 144.8 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | trans | -85.6 | 126.5 | 175.4 | 58.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 410 | T | 33.6 | Very low | 29.1 | Very low | 146 Ų | 146 | 144.2 Ų | 144.2 | 90% | 0.896 | 81% | 0.806 | S | S | * | * | trans | -115.6 | 123 | 156.3 | 39.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 411 | K | 26.9 | Very low | 29.2 | Very low | 176 Ų | 176 | 146.1 Ų | 146.1 | 77% | 0.765 | 81% | 0.811 | S | S | * | * | trans | -77 | 137.6 | -174.4 | -67.4 | 158.8 | 171.4 | 166.4 | 0 | 110.3 | ||||
| 412 | S | 31 | Very low | 28.9 | Very low | 123 Ų | 123 | 149.6 Ų | 149.6 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | trans | -135.6 | 120.4 | 139.7 | 62.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 413 | K | 29.9 | Very low | 29.1 | Very low | 171 Ų | 171 | 148.7 Ų | 148.7 | 74% | 0.743 | 82% | 0.816 | S | S | * | * | trans | -86.3 | 127.9 | -170.8 | -74.8 | 173.2 | 169.8 | 179.9 | 0 | 109.4 | ||||
| 414 | S | 25.1 | Very low | 28.8 | Very low | 117 Ų | 117 | 142.3 Ų | 142.3 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -85.8 | 130.8 | 151.7 | 46.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 415 | I | 30.7 | Very low | 28.8 | Very low | 143 Ų | 143 | 141.5 Ų | 141.5 | 73% | 0.733 | 81% | 0.81 | S | S | * | * | trans | -132.9 | 125.9 | 165.7 | -63.1 | 179.8 | 0 | 0 | 0 | 107.7 | ||||
| 416 | P | 28.6 | Very low | 28.6 | Very low | 126 Ų | 126 | 140.6 Ų | 140.6 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -96 | 147.3 | 177.6 | 35.7 | -29.5 | 0 | 0 | 0 | 111.5 | ||||
| 417 | G | 28.2 | Very low | 28.5 | Very low | 72 Ų | 72 | 144 Ų | 144 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | trans | 170.7 | 102.7 | 168 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 418 | R | 25.9 | Very low | 28.4 | Very low | 235 Ų | 235 | 150.7 Ų | 150.7 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | trans | 70 | 119.6 | 134.9 | -149 | 179 | -150.7 | -155.1 | 4.1 | 117.7 | ||||
| 419 | L | 32.2 | Very low | 28.2 | Very low | 153 Ų | 153 | 150.3 Ų | 150.3 | 80% | 0.801 | 82% | 0.815 | S | S | * | * | 175.8 | 121 | 113.4 | -88.6 | 161.7 | 0 | 0 | 0 | 110.2 | |||||
| 420 | S | 24.7 | Very low | 28.2 | Very low | 102 Ų | 102 | 155.5 Ų | 155.5 | 71% | 0.713 | 82% | 0.824 | S | S | * | * | trans | -92.5 | 121.9 | 170.2 | 50.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 421 | H | 30.4 | Very low | 27.8 | Very low | 190 Ų | 190 | 157.6 Ų | 157.6 | 88% | 0.88 | 82% | 0.823 | S | S | * | * | trans | -151.7 | 138.6 | 152.4 | -84.8 | -62.2 | 0 | 0 | 0 | 111.1 | ||||
| 422 | K | 25.5 | Very low | 27.9 | Very low | 197 Ų | 197 | 158.5 Ų | 158.5 | 86% | 0.857 | 83% | 0.83 | S | S | * | * | trans | -78.3 | 146.5 | -175.4 | -65.2 | 167.4 | 169.5 | 176.3 | 0 | 111.9 | ||||
| 423 | T | 29.2 | Very low | 27.7 | Very low | 132 Ų | 132 | 159.9 Ų | 159.9 | 81% | 0.81 | 83% | 0.828 | S | S | * | * | trans | -179.7 | 105.5 | 131 | 33.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 424 | S | 24.4 | Very low | 27.5 | Very low | 112 Ų | 112 | 156.6 Ų | 156.6 | 78% | 0.783 | 83% | 0.827 | S | S | * | * | 54.5 | 99 | 97.1 | -64.2 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 425 | T | 28.5 | Very low | 27.6 | Very low | 133 Ų | 133 | 163.1 Ų | 163.1 | 82% | 0.816 | 83% | 0.833 | S | S | * | * | -179.5 | 138.4 | 118.4 | 32.7 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 426 | E | 26.6 | Very low | 27.5 | Very low | 175 Ų | 175 | 165.9 Ų | 165.9 | 82% | 0.818 | 84% | 0.84 | S | S | * | * | trans | 72.9 | 93.5 | 154.4 | -66.5 | 176.7 | 172.1 | 0 | 0 | 119.1 | ||||
| 427 | K | 26.5 | Very low | 27.4 | Very low | 201 Ų | 201 | 165.2 Ų | 165.2 | 87% | 0.874 | 84% | 0.838 | S | S | * | * | 55.8 | 98.4 | 86.7 | -77.5 | -174.3 | 174.5 | 175.3 | 0 | 114.6 | |||||
| 428 | K | 28.1 | Very low | 27.4 | Very low | 211 Ų | 211 | 169 Ų | 169 | 92% | 0.917 | 85% | 0.847 | S | S | * | * | 179.6 | 102.6 | 108.9 | -99.1 | 174.6 | -179.9 | 175 | 0 | 110.8 | |||||
| 429 | T | 26.9 | Very low | 27.3 | Very low | 137 Ų | 137 | 162.8 Ų | 162.8 | 84% | 0.84 | 84% | 0.84 | S | S | * | * | trans | -80.9 | 133.2 | 161.1 | 30.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 430 | K | 28.9 | Very low | 27.1 | Very low | 214 Ų | 214 | 163.1 Ų | 163.1 | 93% | 0.93 | 84% | 0.842 | S | S | * | * | trans | -120.5 | 108.4 | 154.8 | -92.5 | -171.7 | 173.4 | -173.1 | 0 | 107.9 | ||||
| 431 | Q | 26 | Very low | 27.4 | Very low | 189 Ų | 189 | 161.7 Ų | 161.7 | 88% | 0.883 | 84% | 0.843 | S | S | * | * | trans | -80.9 | 133.7 | 160.9 | -89.1 | 173.1 | -27.2 | 0 | 0 | 108 | ||||
| 432 | E | 28.7 | Very low | 27.1 | Very low | 195 Ų | 195 | 160.5 Ų | 160.5 | 91% | 0.911 | 84% | 0.843 | S | S | * | * | trans | -127 | 112.7 | 152.4 | -89.6 | -178.8 | 169.1 | 0 | 0 | 107.2 | ||||
| 433 | N | 27.4 | Very low | 27.4 | Very low | 153 Ų | 153 | 156.6 Ų | 156.6 | 82% | 0.818 | 84% | 0.835 | S | S | * | * | trans | -137.9 | 120.2 | 164.3 | -118.3 | -3.8 | 0 | 0 | 0 | 107.8 | ||||
| 434 | S | 26 | Very low | 27.2 | Very low | 101 Ų | 101 | 156.5 Ų | 156.5 | 71% | 0.706 | 83% | 0.83 | S | S | * | * | trans | 35.8 | 112.5 | 146.5 | 66.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 435 | R | 26.8 | Very low | 27.5 | Very low | 255 Ų | 255 | 161.1 Ų | 161.1 | 96% | 0.962 | 84% | 0.836 | S | S | * | * | trans | -142.4 | 112.6 | 138.3 | -74.7 | -167.1 | 176 | 162.1 | -1.8 | 110.2 | ||||
| 436 | K | 28.2 | Very low | 27.4 | Very low | 201 Ų | 201 | 160.1 Ų | 160.1 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | trans | -107.1 | 138.1 | 161.9 | -95.1 | -175.7 | 176.9 | 178.9 | 0 | 108.2 | ||||
| 437 | S | 25.8 | Very low | 27.5 | Very low | 111 Ų | 111 | 158 Ų | 158 | 78% | 0.776 | 82% | 0.82 | S | S | * | * | trans | 64.4 | 106.3 | 146.9 | -50.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 438 | T | 28.7 | Very low | 27.4 | Very low | 153 Ų | 153 | 156.4 Ų | 156.4 | 94% | 0.939 | 82% | 0.816 | S | S | * | * | trans | -143.9 | 121.8 | 139.4 | 28.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 439 | S | 24.3 | Very low | 27.5 | Very low | 104 Ų | 104 | 154 Ų | 154 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | trans | -85.3 | 159 | 169.9 | -174.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 440 | N | 27.2 | Very low | 27.5 | Very low | 160 Ų | 160 | 154.8 Ų | 154.8 | 86% | 0.856 | 81% | 0.809 | S | S | * | * | trans | 100.3 | 119.5 | 157.6 | -60.3 | -10.1 | 0 | 0 | 0 | 118.7 | ||||
| 441 | G | 30.6 | Very low | 27.3 | Very low | 71 Ų | 71 | 150.6 Ų | 150.6 | 73% | 0.732 | 80% | 0.797 | S | S | * | * | trans | 130.9 | 129.8 | 160.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 442 | L | 25.8 | Very low | 27.7 | Very low | 166 Ų | 166 | 150.2 Ų | 150.2 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | cis | -179.4 | 148.3 | -10.3 | -118.4 | 155.4 | 0 | 0 | 0 | 105.1 | ||||
| 443 | V | 30.1 | Very low | 27.5 | Very low | 114 Ų | 114 | 145.6 Ų | 145.6 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | trans | 80.9 | 97.9 | 150.3 | -174.1 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 444 | N | 26.2 | Very low | 27.7 | Very low | 131 Ų | 131 | 147.2 Ų | 147.2 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | 2.5 | 125.3 | 125.2 | -95.9 | -6.8 | 0 | 0 | 0 | 118.3 | |||||
| 445 | F | 30.2 | Very low | 27.8 | Very low | 208 Ų | 208 | 151.9 Ų | 151.9 | 91% | 0.912 | 79% | 0.792 | S | S | * | * | trans | -136.9 | 118 | 138.4 | -114.5 | -87.1 | 0 | 0 | 0 | 109.2 | ||||
| 446 | N | 27.1 | Very low | 27.7 | Very low | 113 Ų | 113 | 146.8 Ų | 146.8 | 60% | 0.604 | 78% | 0.782 | S | S | * | * | trans | -93.3 | 150.4 | 177.8 | -88.4 | -24.4 | 0 | 0 | 0 | 110.4 | ||||
| 447 | N | 27.5 | Very low | 27.7 | Very low | 130 Ų | 130 | 143.3 Ų | 143.3 | 70% | 0.695 | 78% | 0.78 | S | S | * | * | trans | 72.7 | 128.5 | 139.7 | -68.1 | -2.6 | 0 | 0 | 0 | 122.5 | ||||
| 448 | E | 25.2 | Very low | 27.7 | Very low | 168 Ų | 168 | 143.5 Ų | 143.5 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | 103.8 | 148 | 125.6 | -89.9 | 173 | -170.1 | 0 | 0 | 121.7 | |||||
| 449 | L | 29.3 | Very low | 27.8 | Very low | 160 Ų | 160 | 142.8 Ų | 142.8 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | trans | 92.3 | 97.9 | 169.7 | -60.5 | 147.7 | 0 | 0 | 0 | 114.3 | ||||
| 450 | I | 26.8 | Very low | 27.6 | Very low | 153 Ų | 153 | 146.2 Ų | 146.2 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | 57.4 | 108.7 | 53.8 | -57.6 | -176.2 | 0 | 0 | 0 | 114.5 | |||||
| 451 | D | 26 | Very low | 27.8 | Very low | 126 Ų | 126 | 143.5 Ų | 143.5 | 67% | 0.674 | 78% | 0.778 | S | S | * | * | trans | 74.7 | 120.1 | 144 | -159.3 | 17.3 | 0 | 0 | 0 | 120.1 | ||||
| 452 | Q | 33.5 | Very low | 27.6 | Very low | 181 Ų | 181 | 145.8 Ų | 145.8 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | -163.8 | 102.5 | 140.3 | -108.7 | 169 | 69.1 | 0 | 0 | 112.1 | ||||
| 453 | S | 23.9 | Very low | 27.6 | Very low | 98 Ų | 98 | 148.3 Ų | 148.3 | 69% | 0.685 | 78% | 0.778 | S | S | * | * | trans | -66.2 | 135.9 | 161.3 | 61.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 454 | K | 31.7 | Very low | 27.6 | Very low | 188 Ų | 188 | 148.5 Ų | 148.5 | 82% | 0.817 | 78% | 0.782 | S | S | * | * | trans | -152.8 | 106 | 152.1 | -72.2 | -169.2 | -179.9 | 169 | 0 | 109.2 | ||||
| 455 | K | 28.3 | Very low | 27.6 | Very low | 198 Ų | 198 | 148.8 Ų | 148.8 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | 66.2 | 98.3 | 95.4 | -78.7 | -171.9 | 176.9 | -179.1 | 0 | 117.4 | |||||
| 456 | I | 24.9 | Very low | 27.6 | Very low | 149 Ų | 149 | 144.3 Ų | 144.3 | 76% | 0.764 | 78% | 0.783 | S | S | * | * | 23.6 | 129.8 | 127.1 | -51.2 | 161.6 | 0 | 0 | 0 | 118.3 | V458 | I456-V458 HydrophobicContact CG2-CG2 4.02Š| |||
| 457 | P | 29.5 | Very low | 27.6 | Very low | 127 Ų | 127 | 146 Ų | 146 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | -134.7 | 142.7 | 107.6 | 32.5 | -17.7 | 0 | 0 | 0 | 114.4 | |||||
| 458 | V | 25.3 | Very low | 27.7 | Very low | 115 Ų | 115 | 145.5 Ų | 145.5 | 70% | 0.697 | 79% | 0.788 | S | S | * | * | trans | -81.5 | 129.7 | 175.5 | 171.2 | 0 | 0 | 0 | 0 | 109.4 | I456 M460 | I456-V458 HydrophobicContact CG2-CG2 4.02Å; V458-M460 HydrophobicContact CG1-CG 4.25Å | ||
| 459 | T | 29.7 | Very low | 28.1 | Very low | 139 Ų | 139 | 145.6 Ų | 145.6 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | -122.8 | 106.1 | 159.1 | 41.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 460 | M | 21.8 | Very low | 28.2 | Very low | 176 Ų | 176 | 146.4 Ų | 146.4 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | trans | -70.9 | 124.6 | 163.9 | -74.6 | -80.7 | -139 | 0 | 0 | 108.6 | V458 | V458-M460 HydrophobicContact CG1-CG 4.25Š| ||
| 461 | A | 30.5 | Very low | 28.7 | Very low | 102 Ų | 102 | 146.7 Ų | 146.7 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | trans | -137.2 | 123.1 | 159.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 462 | T | 26.6 | Very low | 29.3 | Very low | 120 Ų | 120 | 147.6 Ų | 147.6 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | trans | -81.7 | 148.2 | -172.5 | 42.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 463 | Y | 25.4 | Very low | 29.7 | Very low | 218 Ų | 218 | 147.7 Ų | 147.7 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | trans | 12.3 | 139.1 | 152.7 | -58.7 | -80.8 | 0 | 0 | 0 | 119.7 | ||||
| 464 | P | 31.2 | Very low | 30.6 | Very low | 119 Ų | 119 | 153.5 Ų | 153.5 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | -149.9 | 167.9 | 61.4 | 37.8 | -16 | 0 | 0 | 0 | 118.4 | |||||
| 465 | T | 25.1 | Very low | 31.4 | Very low | 137 Ų | 137 | 150.8 Ų | 150.8 | 84% | 0.84 | 80% | 0.802 | S | S | * | * | trans | -46.2 | 130.3 | 166.5 | 29.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 466 | S | 30.2 | Very low | 32.3 | Very low | 114 Ų | 114 | 147.3 Ų | 147.3 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | trans | -168 | 101.9 | 140 | 45 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 467 | N | 27.8 | Very low | 33.6 | Very low | 147 Ų | 147 | 147.3 Ų | 147.3 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | 56.8 | 112.1 | 98.1 | -106.2 | -0.2 | 0 | 0 | 0 | 115.7 | |||||
| 468 | I | 29.9 | Very low | 34.6 | Very low | 120 Ų | 120 | 149.3 Ų | 149.3 | 62% | 0.615 | 79% | 0.787 | S | S | * | * | trans | 93.6 | 120.6 | 135.3 | -60.6 | 164.7 | 0 | 0 | 0 | 117.7 | ||||
| 469 | Q | 32.1 | Very low | 36 | Very low | 171 Ų | 171 | 148 Ų | 148 | 80% | 0.799 | 78% | 0.779 | S | S | * | * | trans | 71.6 | 82.8 | 153.4 | -72.7 | 155.9 | 5.5 | 0 | 0 | 119.5 | ||||
| 470 | L | 32 | Very low | 37.1 | Very low | 177 Ų | 177 | 147.2 Ų | 147.2 | 93% | 0.927 | 77% | 0.767 | S | S | * | * | trans | -153.4 | 38 | 144.3 | -86.5 | -171.1 | 0 | 0 | 0 | 112.4 | ||||
| 471 | N | 36.4 | Very low | 39.1 | Very low | 158 Ų | 158 | 144.8 Ų | 144.8 | 85% | 0.845 | 76% | 0.758 | S | S | * | * | trans | -91.3 | 93.1 | 164.4 | -92.3 | -9.5 | 0 | 0 | 0 | 107.6 | ||||
| 472 | D | 40.5 | Very low | 40.8 | Very low | 146 Ų | 146 | 144.1 Ų | 144.1 | 78% | 0.781 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -167.2 | -1.3 | 151.4 | -98.7 | -17.4 | 0 | 0 | 0 | 115.8 | ||
| 473 | H | 41.1 | Very low | 43 | Very low | 182 Ų | 182 | 146.1 Ų | 146.1 | 84% | 0.843 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -118.1 | 15.7 | -179.7 | -69.3 | 0.7 | 0 | 0 | 0 | 115.3 | ||
| 474 | R | 42.7 | Very low | 45.3 | Very low | 221 Ų | 221 | 139 Ų | 139 | 83% | 0.834 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -106.3 | -6.2 | -179.1 | -144.4 | 171.7 | -174.1 | 163.7 | 1.7 | 115.7 | ||
| 475 | N | 48.9 | Very low | 47.2 | Very low | 130 Ų | 130 | 140.9 Ų | 140.9 | 70% | 0.695 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -88.9 | -20.2 | -179.3 | -76.7 | -15.7 | 0 | 0 | 0 | 114.5 | T479 | N475-T479 PolarHBondContact O-OG1 2.96Š|
| 476 | D | 47.2 | Very low | 49.6 | Very low | 125 Ų | 125 | 142.6 Ų | 142.6 | 67% | 0.668 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -85.8 | -25.7 | -175.7 | -70.8 | -16.3 | 0 | 0 | 0 | 114.4 | T479 | D476-T479 PolarHBondContact O-OG1 3.28Å |
| 477 | M | 50.9 | Low | 51.9 | Low | 150 Ų | 150 | 144.3 Ų | 144.3 | 74% | 0.739 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -80.7 | -23 | 178.3 | -91.2 | -72.4 | -179 | 0 | 0 | 114 | ||
| 478 | K | 52.1 | Low | 54.4 | Low | 169 Ų | 169 | 144.2 Ų | 144.2 | 74% | 0.735 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -80.3 | -32.5 | 174.1 | -83.2 | -173.1 | 175.1 | -177.2 | 0 | 112.8 | E482 | K478-E482 PolarHBondContact O-N 3.13Å |
| 479 | T | 53.1 | Low | 56.6 | Low | 86 Ų | 86 | 141.9 Ų | 141.9 | 53% | 0.528 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -73.2 | -32 | -179.9 | 52.6 | 0 | 0 | 0 | 0 | 112.6 | N475 D476 K483 | N475-T479 PolarHBondContact O-OG1 2.96Å; D476-T479 PolarHBondContact O-OG1 3.28Å; T479-K483 PolarHBondContact O-N 2.96Å |
| 480 | M | 53.8 | Low | 58.8 | Low | 124 Ų | 124 | 140 Ų | 140 | 61% | 0.611 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -69.9 | -36.2 | 176.8 | -111 | -126.3 | -70.2 | 0 | 0 | 113.5 | S484 | M480-S484 PolarHBondContact O-N 2.78Å; M480-S484 PolarHBondContact O-OG 2.96Å |
| 481 | N | 62.8 | Low | 61.4 | Low | 124 Ų | 124 | 137.8 Ų | 137.8 | 66% | 0.663 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -73 | -36.5 | -179.3 | -145.8 | 9.8 | 0 | 0 | 0 | 112 | R485 | N481-R485 PolarHBondContact O-N 3.49Å |
| 482 | E | 67.1 | Low | 63.7 | Low | 88 Ų | 88 | 135.7 Ų | 135.7 | 41% | 0.411 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -70.4 | -37 | 176.1 | -161.4 | 64.5 | -149.5 | 0 | 0 | 112.1 | K478 S484 R485 R486 | K478-E482 PolarHBondContact O-N 3.13Å; E482-S484 PolarHBondContact O-N 3.39Å; E482-R485 PolarHBondContact O-N 2.69Å; E482-R485 IonicContact OE1-CZ 3.56Å; E482-R485 IonicContact OE1-NE 3.83Å; E482-R485 IonicContact OE1-NH2 3.95Å; E482-R485 PolarHBondContact OE1-NH2 3.23Å; E482-R485 IonicContact OE2-NE 3.49Å; E482-R485 IonicContact OE2-NH2 3.62Å; E482-R486 WeakPolarHBondContact O-CB 3.39Å; E482-R486 PolarHBondContact O-N 3.33Å |
| 483 | K | 72 | Confident | 65.8 | Low | 163 Ų | 163 | 132 Ų | 132 | 71% | 0.709 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -62 | -43.4 | 176.4 | -117 | 179.7 | 179.6 | 176.5 | 0 | 112.2 | T479 R486 K487 | T479-K483 PolarHBondContact O-N 2.96Å; K483-R486 PolarHBondContact O-N 2.87Å; K483-K487 PolarHBondContact O-N 3.18Å |
| 484 | S | 74.2 | Confident | 67.8 | Low | 67 Ų | 67 | 128 Ų | 128 | 47% | 0.469 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -64.7 | -41 | 177.3 | -65 | 0 | 0 | 0 | 0 | 111.7 | M480 E482 K487 Q488 | M480-S484 PolarHBondContact O-N 2.78Å; M480-S484 PolarHBondContact O-OG 2.96Å; E482-S484 PolarHBondContact O-N 3.39Å; S484-K487 PolarHBondContact O-N 3.23Å; S484-Q488 PolarHBondContact O-N 3.3Å |
| 485 | R | 70.9 | Confident | 70.1 | Confident | 160 Ų | 160 | 122.2 Ų | 122.2 | 60% | 0.604 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -68 | -38.7 | 177.5 | -149 | 174.8 | 65.9 | 148.2 | 1.7 | 112.4 | N481 E482 Q488 S489 | N481-R485 PolarHBondContact O-N 3.49Å; E482-R485 PolarHBondContact O-N 2.69Å; E482-R485 IonicContact OE1-CZ 3.56Å; E482-R485 IonicContact OE1-NE 3.83Å; E482-R485 IonicContact OE1-NH2 3.95Å; E482-R485 PolarHBondContact OE1-NH2 3.23Å; E482-R485 IonicContact OE2-NE 3.49Å; E482-R485 IonicContact OE2-NH2 3.62Å; R485-Q488 PolarHBondContact O-N 2.99Å; R485-S489 PolarHBondContact O-N 3.01Å |
| 486 | R | 76.6 | Confident | 71.9 | Confident | 173 Ų | 173 | 120.8 Ų | 120.8 | 65% | 0.653 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -62 | -46.7 | 172.3 | -105.5 | -177.5 | 174.6 | 159.7 | -1.3 | 112.3 | E482 K483 Q488 S489 E490 | E482-R486 WeakPolarHBondContact O-CB 3.39Å; E482-R486 PolarHBondContact O-N 3.33Å; K483-R486 PolarHBondContact O-N 2.87Å; R486-Q488 PolarHBondContact O-N 2.9Å; R486-S489 PolarHBondContact O-N 3.03Å; R486-E490 PolarHBondContact O-N 3.46Å |
| 487 | K | 77.2 | Confident | 73.9 | Confident | 149 Ų | 149 | 118 Ų | 118 | 65% | 0.648 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -60.4 | -43.1 | 177.2 | -98.8 | -170.1 | 173.5 | -173.3 | 0 | 112.5 | K483 S484 E490 Q491 | K483-K487 PolarHBondContact O-N 3.18Å; S484-K487 PolarHBondContact O-N 3.23Å; K487-E490 PolarHBondContact O-N 2.9Å; K487-Q491 WeakPolarHBondContact O-CB 3.27Å; K487-Q491 PolarHBondContact O-N 2.81Å |
| 488 | Q | 80.4 | Confident | 75.6 | Confident | 145 Ų | 145 | 113.7 Ų | 113.7 | 68% | 0.678 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63 | -42 | 175.4 | -84.8 | -176.5 | -23.3 | 0 | 0 | 112.1 | S484 R485 R486 Q491 L492 | S484-Q488 PolarHBondContact O-N 3.3Å; R485-Q488 PolarHBondContact O-N 2.99Å; R486-Q488 PolarHBondContact O-N 2.9Å; Q488-Q491 PolarHBondContact O-N 3.42Å; Q488-L492 WeakPolarHBondContact O-CB 3.26Å; Q488-L492 PolarHBondContact O-N 3.41Å |
| 489 | S | 76.5 | Confident | 77.5 | Confident | 72 Ų | 72 | 112.3 Ų | 112.3 | 50% | 0.503 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.4 | -42.6 | 176 | -171.2 | 0 | 0 | 0 | 0 | 112.2 | R485 R486 L492 C493 | R485-S489 PolarHBondContact O-N 3.01Å; R486-S489 PolarHBondContact O-N 3.03Å; S489-L492 PolarHBondContact O-N 2.75Å; S489-C493 WeakPolarHBondContact O-CB 3.29Å; S489-C493 PolarHBondContact O-N 2.96Å; S489-C493 PolarHBondContact O-SG 2.92Å |
| 490 | E | 79.2 | Confident | 79.2 | Confident | 130 Ų | 130 | 112.5 Ų | 112.5 | 61% | 0.607 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.8 | -42.2 | 176.3 | -81.2 | 173.7 | 171.3 | 0 | 0 | 111.7 | R486 K487 C493 Q494 | R486-E490 PolarHBondContact O-N 3.46Å; K487-E490 PolarHBondContact O-N 2.9Å; E490-C493 PolarHBondContact O-N 2.9Å; E490-Q494 WeakPolarHBondContact O-CB 3.49Å; E490-Q494 PolarHBondContact O-N 2.68Å |
| 491 | Q | 85.5 | Confident | 80.8 | Confident | 132 Ų | 132 | 113 Ų | 113 | 62% | 0.617 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -62.8 | -43.6 | 177.3 | -162.1 | 112.8 | 21.9 | 0 | 0 | 111.3 | K487 Q488 Q494 D495 | K487-Q491 WeakPolarHBondContact O-CB 3.27Å; K487-Q491 PolarHBondContact O-N 2.81Å; Q488-Q491 PolarHBondContact O-N 3.42Å; Q491-Q494 PolarHBondContact O-N 3.48Å; Q491-D495 PolarHBondContact O-N 3.45Å |
| 492 | L | 85 | Confident | 82 | Confident | 113 Ų | 113 | 112.5 Ų | 112.5 | 59% | 0.592 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -68.6 | -38.1 | 179.3 | -155.7 | 146.2 | 0 | 0 | 0 | 111.8 | Q488 S489 L496 | Q488-L492 WeakPolarHBondContact O-CB 3.26Å; Q488-L492 PolarHBondContact O-N 3.41Å; S489-L492 PolarHBondContact O-N 2.75Å; L492-L496 HydrophobicContact CD2-CD1 3.92Å; L492-L496 HydrophobicContact CD2-CG 4.48Å; L492-L496 WeakPolarHBondContact O-CB 3.39Å; L492-L496 WeakPolarHBondContact O-CG 3.48Å; L492-L496 PolarHBondContact O-N 3.02Å |
| 493 | C | 85 | Confident | 82.9 | Confident | 70 Ų | 70 | 113 Ų | 113 | 47% | 0.473 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.3 | -42 | 170.3 | -72.9 | 0 | 0 | 0 | 0 | 111.8 | S489 E490 L496 V497 | S489-C493 WeakPolarHBondContact O-CB 3.29Å; S489-C493 PolarHBondContact O-N 2.96Å; S489-C493 PolarHBondContact O-SG 2.92Å; E490-C493 PolarHBondContact O-N 2.9Å; C493-L496 PolarHBondContact O-N 2.93Å; C493-V497 VanDerWaalsContact O-CG2 3.3Å; C493-V497 WeakPolarHBondContact O-CG2 3.46Å; C493-V497 PolarHBondContact O-N 3.37Å |
| 494 | Q | 83.4 | Confident | 83.6 | Confident | 97 Ų | 97 | 110.7 Ų | 110.7 | 45% | 0.453 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.3 | -40.6 | 179.2 | -169.9 | 60.9 | 50.2 | 0 | 0 | 111.9 | E490 Q491 V497 N498 | E490-Q494 WeakPolarHBondContact O-CB 3.49Å; E490-Q494 PolarHBondContact O-N 2.68Å; Q491-Q494 PolarHBondContact O-N 3.48Å; Q494-V497 PolarHBondContact O-N 3.4Å; Q494-N498 PolarHBondContact NE2-OD1 3.5Å; Q494-N498 WeakPolarHBondContact O-CB 3.48Å; Q494-N498 PolarHBondContact O-N 3.2Å; Q494-N498 PolarHBondContact O-ND2 3.02Å |
| 495 | D | 89.8 | Confident | 84.1 | Confident | 99 Ų | 99 | 112.5 Ų | 112.5 | 53% | 0.529 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64 | -40.5 | 175.2 | -73.6 | -14.9 | 0 | 0 | 0 | 111.4 | Q491 N498 R499 | Q491-D495 PolarHBondContact O-N 3.45Å; D495-N498 PolarHBondContact O-N 3.14Å; D495-R499 WeakPolarHBondContact O-CB 3.21Å; D495-R499 PolarHBondContact O-N 2.7Å |
| 496 | L | 86.2 | Confident | 84.8 | Confident | 100 Ų | 100 | 107.6 Ų | 107.6 | 52% | 0.524 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.5 | -43.9 | 173 | -77.3 | 170.1 | 0 | 0 | 0 | 112.2 | L492 C493 N498 R499 I500 | L492-L496 HydrophobicContact CD2-CD1 3.92Å; L492-L496 HydrophobicContact CD2-CG 4.48Å; L492-L496 WeakPolarHBondContact O-CB 3.39Å; L492-L496 WeakPolarHBondContact O-CG 3.48Å; L492-L496 PolarHBondContact O-N 3.02Å; C493-L496 PolarHBondContact O-N 2.93Å; L496-N498 PolarHBondContact O-N 3.44Å; L496-R499 PolarHBondContact O-N 2.91Å; L496-I500 VanDerWaalsContact O-CG1 3.32Å; L496-I500 WeakPolarHBondContact O-CG1 3.18Å; L496-I500 PolarHBondContact O-N 3.05Å |
| 497 | V | 89.9 | Confident | 85.2 | Confident | 66 Ų | 66 | 101.9 Ų | 101.9 | 40% | 0.4 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 177 | 169 | 0 | 0 | 0 | 0 | 111.2 | C493 Q494 R499 I500 R501 | C493-V497 VanDerWaalsContact O-CG2 3.3Å; C493-V497 WeakPolarHBondContact O-CG2 3.46Å; C493-V497 PolarHBondContact O-N 3.37Å; Q494-V497 PolarHBondContact O-N 3.4Å; V497-R499 VanDerWaalsContact C-N 3.31Å; V497-R499 PolarHBondContact O-N 2.96Å; V497-I500 PolarHBondContact O-N 3.35Å; V497-R501 WeakPolarHBondContact O-CB 3.48Å; V497-R501 PolarHBondContact O-N 3.24Å |
| 498 | N | 86.8 | Confident | 85.6 | Confident | 61 Ų | 61 | 98.9 Ų | 98.9 | 33% | 0.326 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 176.7 | -68.5 | -18.9 | 0 | 0 | 0 | 110.9 | Q494 D495 L496 R501 E502 | Q494-N498 PolarHBondContact NE2-OD1 3.5Å; Q494-N498 WeakPolarHBondContact O-CB 3.48Å; Q494-N498 PolarHBondContact O-N 3.2Å; Q494-N498 PolarHBondContact O-ND2 3.02Å; D495-N498 PolarHBondContact O-N 3.14Å; L496-N498 PolarHBondContact O-N 3.44Å; N498-R501 PolarHBondContact O-N 2.97Å; N498-E502 PolarHBondContact O-N 3.35Å |
| 499 | R | 92 | Very high | 85.7 | Confident | 139 Ų | 139 | 96.6 Ų | 96.6 | 53% | 0.525 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.9 | -38.7 | 177.9 | -169.2 | 60.1 | 174.1 | 139.9 | 5 | 113.1 | D495 L496 V497 E502 L503 | D495-R499 WeakPolarHBondContact O-CB 3.21Å; D495-R499 PolarHBondContact O-N 2.7Å; L496-R499 PolarHBondContact O-N 2.91Å; V497-R499 VanDerWaalsContact C-N 3.31Å; V497-R499 PolarHBondContact O-N 2.96Å; R499-E502 IonicContact CZ-OE2 3.75Å; R499-E502 IonicContact NH1-OE2 3.18Å; R499-E502 PolarHBondContact NH1-OE2 2.97Å; R499-E502 PolarHBondContact O-N 3.28Å; R499-L503 WeakPolarHBondContact O-CG 3.17Å; R499-L503 PolarHBondContact O-N 3.38Å; R499-L503 VanDerWaalsContact O-N 3.1Å |
| 500 | I | 88.5 | Confident | 85.8 | Confident | 91 Ų | 91 | 99.2 Ų | 99.2 | 47% | 0.467 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.6 | -45.9 | 173.7 | -69.4 | 165.6 | 0 | 0 | 0 | 109.9 | L496 V497 E502 L503 E504 | L496-I500 VanDerWaalsContact O-CG1 3.32Å; L496-I500 WeakPolarHBondContact O-CG1 3.18Å; L496-I500 PolarHBondContact O-N 3.05Å; V497-I500 PolarHBondContact O-N 3.35Å; I500-E502 VanDerWaalsContact C-N 3.33Å; I500-E502 PolarHBondContact O-N 3.17Å; I500-L503 PolarHBondContact O-N 2.67Å; I500-L503 VanDerWaalsContact O-N 3.09Å; I500-E504 HydrophobicContact CG2-CG 4.31Å; I500-E504 WeakPolarHBondContact O-CG 3.3Å; I500-E504 PolarHBondContact O-N 3.48Å |
| 501 | R | 87.1 | Confident | 86.1 | Confident | 135 Ų | 135 | 99.5 Ų | 99.5 | 51% | 0.509 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.7 | -38.8 | 179.3 | -163.2 | -174.9 | -65.7 | 156.9 | -0.5 | 112.6 | V497 N498 L505 | V497-R501 WeakPolarHBondContact O-CB 3.48Å; V497-R501 PolarHBondContact O-N 3.24Å; N498-R501 PolarHBondContact O-N 2.97Å; R501-L505 WeakPolarHBondContact O-CG 3.43Å; R501-L505 PolarHBondContact O-N 3.5Å |
| 502 | E | 87.9 | Confident | 86 | Confident | 112 Ų | 112 | 99.2 Ų | 99.2 | 52% | 0.523 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.1 | -42.5 | 172.5 | -77 | -179.8 | 175.1 | 0 | 0 | 112.6 | N498 R499 I500 L505 S506 | N498-E502 PolarHBondContact O-N 3.35Å; R499-E502 IonicContact CZ-OE2 3.75Å; R499-E502 IonicContact NH1-OE2 3.18Å; R499-E502 PolarHBondContact NH1-OE2 2.97Å; R499-E502 PolarHBondContact O-N 3.28Å; I500-E502 VanDerWaalsContact C-N 3.33Å; I500-E502 PolarHBondContact O-N 3.17Å; E502-L505 PolarHBondContact O-N 3.06Å; E502-S506 WeakPolarHBondContact O-CB 3.28Å; E502-S506 PolarHBondContact O-N 3.41Å |
| 503 | L | 86.1 | Confident | 85.8 | Confident | 98 Ų | 98 | 96.4 Ų | 96.4 | 51% | 0.513 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.2 | -38.5 | 178.2 | -72 | 170.3 | 0 | 0 | 0 | 111.8 | R499 I500 S506 A507 | R499-L503 WeakPolarHBondContact O-CG 3.17Å; R499-L503 PolarHBondContact O-N 3.38Å; R499-L503 VanDerWaalsContact O-N 3.1Å; I500-L503 PolarHBondContact O-N 2.67Å; I500-L503 VanDerWaalsContact O-N 3.09Å; L503-S506 PolarHBondContact O-N 2.96Å; L503-A507 WeakPolarHBondContact O-CB 3.11Å; L503-A507 PolarHBondContact O-N 3.34Å |
| 504 | E | 87 | Confident | 85.9 | Confident | 116 Ų | 116 | 98.7 Ų | 98.7 | 54% | 0.542 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.3 | -45.3 | 174.4 | -72.8 | 175 | 160.7 | 0 | 0 | 111.8 | I500 A507 I508 | I500-E504 HydrophobicContact CG2-CG 4.31Å; I500-E504 WeakPolarHBondContact O-CG 3.3Å; I500-E504 PolarHBondContact O-N 3.48Å; E504-A507 PolarHBondContact O-N 3.33Å; E504-I508 WeakPolarHBondContact O-CG1 3.31Å; E504-I508 PolarHBondContact O-N 2.99Å |
| 505 | L | 85.9 | Confident | 86.2 | Confident | 104 Ų | 104 | 99.8 Ų | 99.8 | 55% | 0.545 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.7 | -43.9 | 175 | -76.6 | 167.2 | 0 | 0 | 0 | 111.7 | R501 E502 A507 I508 D509 | R501-L505 WeakPolarHBondContact O-CG 3.43Å; R501-L505 PolarHBondContact O-N 3.5Å; E502-L505 PolarHBondContact O-N 3.06Å; L505-A507 VanDerWaalsContact C-N 3.3Å; L505-A507 PolarHBondContact O-N 3.03Å; L505-I508 PolarHBondContact O-N 3.43Å; L505-D509 PolarHBondContact O-N 3.48Å; L505-D509 VanDerWaalsContact O-N 3.13Å |
| 506 | S | 84.8 | Confident | 86.1 | Confident | 58 Ų | 58 | 99 Ų | 99 | 41% | 0.406 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.9 | -35.1 | 176.2 | -177.8 | 0 | 0 | 0 | 0 | 112.8 | E502 L503 Q510 | E502-S506 WeakPolarHBondContact O-CB 3.28Å; E502-S506 PolarHBondContact O-N 3.41Å; L503-S506 PolarHBondContact O-N 2.96Å; S506-Q510 WeakPolarHBondContact O-CG 3.44Å; S506-Q510 PolarHBondContact O-N 3.33Å; S506-Q510 VanDerWaalsContact O-N 3.11Å |
| 507 | A | 85.6 | Confident | 86.1 | Confident | 53 Ų | 53 | 98.2 Ų | 98.2 | 44% | 0.438 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.7 | -38.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L503 E504 L505 D509 Q510 H511 | L503-A507 WeakPolarHBondContact O-CB 3.11Å; L503-A507 PolarHBondContact O-N 3.34Å; E504-A507 PolarHBondContact O-N 3.33Å; L505-A507 VanDerWaalsContact C-N 3.3Å; L505-A507 PolarHBondContact O-N 3.03Å; A507-D509 VanDerWaalsContact C-N 3.34Å; A507-D509 PolarHBondContact O-N 2.85Å; A507-Q510 PolarHBondContact O-N 3.09Å; A507-H511 PolarHBondContact O-N 2.92Å |
| 508 | I | 85.2 | Confident | 86 | Confident | 86 Ų | 86 | 101.7 Ų | 101.7 | 44% | 0.441 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.1 | -43.5 | 174.4 | -68.7 | 165.5 | 0 | 0 | 0 | 110.6 | E504 L505 H511 K512 | E504-I508 WeakPolarHBondContact O-CG1 3.31Å; E504-I508 PolarHBondContact O-N 2.99Å; L505-I508 PolarHBondContact O-N 3.43Å; I508-H511 PolarHBondContact O-N 2.98Å; I508-K512 HydrophobicContact CG2-CD 4.37Å; I508-K512 WeakPolarHBondContact O-CG 3.4Å; I508-K512 PolarHBondContact O-N 3.05Å |
| 509 | D | 82.7 | Confident | 86.1 | Confident | 96 Ų | 96 | 103.4 Ų | 103.4 | 51% | 0.513 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.1 | -36.6 | 179.7 | -71.5 | -21.5 | 0 | 0 | 0 | 112.6 | L505 A507 K512 A513 | L505-D509 PolarHBondContact O-N 3.48Å; L505-D509 VanDerWaalsContact O-N 3.13Å; A507-D509 VanDerWaalsContact C-N 3.34Å; A507-D509 PolarHBondContact O-N 2.85Å; D509-K512 PolarHBondContact O-N 2.96Å; D509-K512 IonicContact OD1-NZ 3.33Å; D509-A513 WeakPolarHBondContact O-CB 3.22Å; D509-A513 PolarHBondContact O-N 3.13Å |
| 510 | Q | 79.2 | Confident | 85.8 | Confident | 127 Ų | 127 | 101.5 Ų | 101.5 | 59% | 0.593 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63 | -40.6 | 171.2 | -75.4 | 179.5 | -4.1 | 0 | 0 | 112.2 | S506 A507 A513 L514 | S506-Q510 WeakPolarHBondContact O-CG 3.44Å; S506-Q510 PolarHBondContact O-N 3.33Å; S506-Q510 VanDerWaalsContact O-N 3.11Å; A507-Q510 PolarHBondContact O-N 3.09Å; Q510-A513 PolarHBondContact O-N 3.12Å; Q510-L514 WeakPolarHBondContact O-CB 3.14Å; Q510-L514 PolarHBondContact O-N 3.04Å |
| 511 | H | 84.3 | Confident | 85.8 | Confident | 137 Ų | 137 | 104.5 Ų | 104.5 | 63% | 0.634 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.5 | -37.2 | 178.4 | -160 | -46.8 | 0 | 0 | 0 | 112.1 | A507 I508 K515 | A507-H511 PolarHBondContact O-N 2.92Å; I508-H511 PolarHBondContact O-N 2.98Å; H511-K515 WeakPolarHBondContact O-CB 3.33Å; H511-K515 PolarHBondContact O-N 3.08Å |
| 512 | K | 84.5 | Confident | 85.9 | Confident | 125 Ų | 125 | 104.6 Ų | 104.6 | 54% | 0.543 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.7 | -44.8 | 172.2 | -71.7 | 172.7 | -174.5 | 166.3 | 0 | 111.3 | I508 D509 L514 K515 V516 | I508-K512 HydrophobicContact CG2-CD 4.37Å; I508-K512 WeakPolarHBondContact O-CG 3.4Å; I508-K512 PolarHBondContact O-N 3.05Å; D509-K512 PolarHBondContact O-N 2.96Å; D509-K512 IonicContact OD1-NZ 3.33Å; K512-L514 PolarHBondContact O-N 2.88Å; K512-K515 PolarHBondContact O-N 3.06Å; K512-V516 WeakPolarHBondContact O-CG2 3.25Å; K512-V516 PolarHBondContact O-N 3.17Å |
| 513 | A | 81.1 | Confident | 85.9 | Confident | 55 Ų | 55 | 101.8 Ų | 101.8 | 46% | 0.455 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.2 | -40.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | D509 Q510 V516 T517 | D509-A513 WeakPolarHBondContact O-CB 3.22Å; D509-A513 PolarHBondContact O-N 3.13Å; Q510-A513 PolarHBondContact O-N 3.12Å; A513-V516 PolarHBondContact O-N 2.92Å; A513-T517 WeakPolarHBondContact O-CB 3.17Å; A513-T517 PolarHBondContact O-N 3.28Å; A513-T517 PolarHBondContact O-OG1 3.37Å |
| 514 | L | 86.7 | Confident | 86 | Confident | 117 Ų | 117 | 103.3 Ų | 103.3 | 61% | 0.613 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -61.5 | -45 | 174.1 | -93.4 | 159.5 | 0 | 0 | 0 | 112 | Q510 K512 V516 T517 E518 | Q510-L514 WeakPolarHBondContact O-CB 3.14Å; Q510-L514 PolarHBondContact O-N 3.04Å; K512-L514 PolarHBondContact O-N 2.88Å; L514-V516 PolarHBondContact O-N 2.95Å; L514-T517 WeakPolarHBondContact O-CB 3.33Å; L514-T517 PolarHBondContact O-N 3.46Å; L514-T517 VanDerWaalsContact O-N 3.12Å; L514-E518 PolarHBondContact O-N 3.13Å |
| 515 | K | 88.3 | Confident | 86.1 | Confident | 121 Ų | 121 | 101.5 Ų | 101.5 | 53% | 0.526 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.3 | -47.1 | 177.5 | -168.5 | -176.9 | -177.8 | -164.5 | 0 | 111.8 | H511 K512 T517 E518 E519 | H511-K515 WeakPolarHBondContact O-CB 3.33Å; H511-K515 PolarHBondContact O-N 3.08Å; K512-K515 PolarHBondContact O-N 3.06Å; K515-T517 PolarHBondContact O-N 3.07Å; K515-E518 PolarHBondContact O-N 3.12Å; K515-E519 WeakPolarHBondContact CE-OE1 3.36Å; K515-E519 IonicContact NZ-OE1 3.74Å; K515-E519 WeakPolarHBondContact O-CG 3.48Å; K515-E519 PolarHBondContact O-N 3.01Å |
| 516 | V | 88.1 | Confident | 86.2 | Confident | 83 Ų | 83 | 99.8 Ų | 99.8 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.9 | -37.2 | 175.6 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | K512 A513 L514 E519 L520 | K512-V516 WeakPolarHBondContact O-CG2 3.25Å; K512-V516 PolarHBondContact O-N 3.17Å; A513-V516 PolarHBondContact O-N 2.92Å; L514-V516 PolarHBondContact O-N 2.95Å; V516-E519 PolarHBondContact O-N 3.05Å; V516-L520 WeakPolarHBondContact O-CB 3.22Å; V516-L520 PolarHBondContact O-N 3.03Å |
| 517 | T | 85.9 | Confident | 86.4 | Confident | 83 Ų | 83 | 102.7 Ų | 102.7 | 51% | 0.509 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -69.4 | -37.2 | 178.8 | -51.6 | 0 | 0 | 0 | 0 | 112.3 | A513 L514 K515 K521 | A513-T517 WeakPolarHBondContact O-CB 3.17Å; A513-T517 PolarHBondContact O-N 3.28Å; A513-T517 PolarHBondContact O-OG1 3.37Å; L514-T517 WeakPolarHBondContact O-CB 3.33Å; L514-T517 PolarHBondContact O-N 3.46Å; L514-T517 VanDerWaalsContact O-N 3.12Å; K515-T517 PolarHBondContact O-N 3.07Å; T517-K521 PolarHBondContact O-N 3.45Å |
| 518 | E | 88.2 | Confident | 86.7 | Confident | 138 Ų | 138 | 105.9 Ų | 105.9 | 65% | 0.645 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -68 | -44.3 | 172.8 | -84.3 | -166.9 | 153.8 | 0 | 0 | 112.4 | L514 K515 L520 K521 Q522 | L514-E518 PolarHBondContact O-N 3.13Å; K515-E518 PolarHBondContact O-N 3.12Å; E518-L520 VanDerWaalsContact C-N 3.28Å; E518-L520 PolarHBondContact O-N 3.01Å; E518-K521 WeakPolarHBondContact O-CB 3.36Å; E518-K521 PolarHBondContact O-N 3Å; E518-K521 VanDerWaalsContact O-N 3.14Å; E518-Q522 PolarHBondContact O-N 3.08Å |
| 519 | E | 89.6 | Confident | 86.9 | Confident | 97 Ų | 97 | 108 Ų | 108 | 45% | 0.453 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -58.8 | -41.9 | 175.6 | -72.8 | 172.1 | -175.6 | 0 | 0 | 110.8 | K515 V516 Q522 A523 | K515-E519 WeakPolarHBondContact CE-OE1 3.36Å; K515-E519 IonicContact NZ-OE1 3.74Å; K515-E519 WeakPolarHBondContact O-CG 3.48Å; K515-E519 PolarHBondContact O-N 3.01Å; V516-E519 PolarHBondContact O-N 3.05Å; E519-Q522 PolarHBondContact O-N 2.93Å; E519-A523 WeakPolarHBondContact O-CB 3.5Å; E519-A523 PolarHBondContact O-N 2.94Å |
| 520 | L | 85.2 | Confident | 87.3 | Confident | 99 Ų | 99 | 109.7 Ų | 109.7 | 52% | 0.518 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.1 | -42.3 | 175.2 | -138.7 | 94.1 | 0 | 0 | 0 | 112.1 | V516 E518 Q522 A523 F524 | V516-L520 WeakPolarHBondContact O-CB 3.22Å; V516-L520 PolarHBondContact O-N 3.03Å; E518-L520 VanDerWaalsContact C-N 3.28Å; E518-L520 PolarHBondContact O-N 3.01Å; L520-Q522 VanDerWaalsContact C-N 3.34Å; L520-A523 PolarHBondContact O-N 3.09Å; L520-F524 HydrophobicContact CD2-CD2 4.32Å; L520-F524 HydrophobicContact CD2-CE2 3.9Å; L520-F524 HydrophobicContact CG-CD2 4.46Å; L520-F524 HydrophobicContact CG-CE2 4.36Å; L520-F524 WeakPolarHBondContact O-CD2 3.31Å; L520-F524 PolarHBondContact O-N 3.13Å |
| 521 | K | 89.5 | Confident | 87.8 | Confident | 154 Ų | 154 | 110.3 Ų | 110.3 | 67% | 0.67 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -60.6 | -44.3 | 175.5 | -98.2 | -175.7 | 175.6 | -179.9 | 0 | 111.5 | T517 E518 F524 T525 | T517-K521 PolarHBondContact O-N 3.45Å; E518-K521 WeakPolarHBondContact O-CB 3.36Å; E518-K521 PolarHBondContact O-N 3Å; E518-K521 VanDerWaalsContact O-N 3.14Å; K521-F524 PolarHBondContact O-N 3.09Å; K521-T525 WeakPolarHBondContact O-CG2 3.41Å; K521-T525 PolarHBondContact O-N 3.43Å; K521-T525 PolarHBondContact O-OG1 3.49Å |
| 522 | Q | 88.9 | Confident | 88.1 | Confident | 137 Ų | 137 | 108.7 Ų | 108.7 | 64% | 0.64 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -61.1 | -47.2 | 176.9 | -114.3 | 176.3 | -5.3 | 0 | 0 | 110.8 | E518 E519 L520 F524 T525 T526 | E518-Q522 PolarHBondContact O-N 3.08Å; E519-Q522 PolarHBondContact O-N 2.93Å; L520-Q522 VanDerWaalsContact C-N 3.34Å; Q522-F524 VanDerWaalsContact C-N 3.34Å; Q522-F524 PolarHBondContact O-N 3.37Å; Q522-T525 WeakPolarHBondContact CA-OG1 3.32Å; Q522-T525 PolarHBondContact O-N 2.68Å; Q522-T525 VanDerWaalsContact O-N 3.1Å; Q522-T525 PolarHBondContact O-OG1 2.97Å; Q522-T526 PolarHBondContact O-N 3.37Å; Q522-T526 PolarHBondContact O-OG1 3.29Å |
| 523 | A | 86.4 | Confident | 88.3 | Confident | 53 Ų | 53 | 107.5 Ų | 107.5 | 44% | 0.438 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59 | -41.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | E519 L520 T525 T526 E527 | E519-A523 WeakPolarHBondContact O-CB 3.5Å; E519-A523 PolarHBondContact O-N 2.94Å; L520-A523 PolarHBondContact O-N 3.09Å; A523-T525 PolarHBondContact O-N 3.14Å; A523-T526 WeakPolarHBondContact CA-OG1 3.43Å; A523-T526 PolarHBondContact O-N 3.48Å; A523-T526 PolarHBondContact O-OG1 3.02Å; A523-E527 WeakPolarHBondContact O-CB 3.41Å; A523-E527 PolarHBondContact O-N 3.18Å |
| 524 | F | 89.3 | Confident | 88.6 | Confident | 131 Ų | 131 | 108.5 Ų | 108.5 | 58% | 0.575 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.6 | -37.7 | 174.8 | -92.5 | -69.3 | 0 | 0 | 0 | 112.7 | L520 K521 Q522 H528 | L520-F524 HydrophobicContact CD2-CD2 4.32Å; L520-F524 HydrophobicContact CD2-CE2 3.9Å; L520-F524 HydrophobicContact CG-CD2 4.46Å; L520-F524 HydrophobicContact CG-CE2 4.36Å; L520-F524 WeakPolarHBondContact O-CD2 3.31Å; L520-F524 PolarHBondContact O-N 3.13Å; K521-F524 PolarHBondContact O-N 3.09Å; Q522-F524 VanDerWaalsContact C-N 3.34Å; Q522-F524 PolarHBondContact O-N 3.37Å; F524-H528 WeakPolarHBondContact O-CB 3.34Å; F524-H528 PolarHBondContact O-N 3.37Å |
| 525 | T | 88.7 | Confident | 88.8 | Confident | 77 Ų | 77 | 108.3 Ų | 108.3 | 47% | 0.472 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -69.6 | -37.3 | 177.2 | 55.5 | 0 | 0 | 0 | 0 | 112.5 | K521 Q522 A523 H528 Q529 | K521-T525 WeakPolarHBondContact O-CG2 3.41Å; K521-T525 PolarHBondContact O-N 3.43Å; K521-T525 PolarHBondContact O-OG1 3.49Å; Q522-T525 WeakPolarHBondContact CA-OG1 3.32Å; Q522-T525 PolarHBondContact O-N 2.68Å; Q522-T525 VanDerWaalsContact O-N 3.1Å; Q522-T525 PolarHBondContact O-OG1 2.97Å; A523-T525 PolarHBondContact O-N 3.14Å; T525-H528 PolarHBondContact O-N 3.06Å; T525-Q529 VanDerWaalsContact O-CG 3.32Å; T525-Q529 WeakPolarHBondContact O-CG 3.43Å; T525-Q529 PolarHBondContact O-N 3.47Å |
| 526 | T | 88.9 | Confident | 88.9 | Confident | 69 Ų | 69 | 105.1 Ų | 105.1 | 42% | 0.423 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.8 | -44.3 | 176.3 | 51.8 | 0 | 0 | 0 | 0 | 111.1 | Q522 A523 H528 Q529 E530 | Q522-T526 PolarHBondContact O-N 3.37Å; Q522-T526 PolarHBondContact O-OG1 3.29Å; A523-T526 WeakPolarHBondContact CA-OG1 3.43Å; A523-T526 PolarHBondContact O-N 3.48Å; A523-T526 PolarHBondContact O-OG1 3.02Å; T526-H528 VanDerWaalsContact C-N 3.29Å; T526-H528 PolarHBondContact O-N 3.36Å; T526-Q529 PolarHBondContact O-N 2.94Å; T526-E530 WeakPolarHBondContact O-CG 3.45Å; T526-E530 PolarHBondContact O-N 3.1Å |
| 527 | E | 87.6 | Confident | 89 | Confident | 118 Ų | 118 | 106 Ų | 106 | 55% | 0.551 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -59.2 | -41.9 | 175.3 | -172.4 | -167.1 | 163.9 | 0 | 0 | 111.3 | A523 E530 K531 | A523-E527 WeakPolarHBondContact O-CB 3.41Å; A523-E527 PolarHBondContact O-N 3.18Å; E527-E530 PolarHBondContact O-N 2.96Å; E527-K531 WeakPolarHBondContact O-CB 3.22Å; E527-K531 PolarHBondContact O-N 3.42Å |
| 528 | H | 91.7 | Very high | 89.2 | Confident | 120 Ų | 120 | 106.4 Ų | 106.4 | 56% | 0.556 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.4 | -40.5 | 177.6 | -172.6 | 66.4 | 0 | 0 | 0 | 112.7 | F524 T525 T526 L532 | F524-H528 WeakPolarHBondContact O-CB 3.34Å; F524-H528 PolarHBondContact O-N 3.37Å; T525-H528 PolarHBondContact O-N 3.06Å; T526-H528 VanDerWaalsContact C-N 3.29Å; T526-H528 PolarHBondContact O-N 3.36Å; H528-L532 PolarHBondContact O-N 3.17Å; H528-L532 VanDerWaalsContact O-N 3.09Å |
| 529 | Q | 90.6 | Very high | 89.3 | Confident | 132 Ų | 132 | 106.7 Ų | 106.7 | 62% | 0.617 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -66.8 | -43.9 | 177.1 | -75.2 | 174.6 | -7.2 | 0 | 0 | 112 | T525 T526 K531 L532 L533 | T525-Q529 VanDerWaalsContact O-CG 3.32Å; T525-Q529 WeakPolarHBondContact O-CG 3.43Å; T525-Q529 PolarHBondContact O-N 3.47Å; T526-Q529 PolarHBondContact O-N 2.94Å; Q529-K531 VanDerWaalsContact C-N 3.35Å; Q529-K531 PolarHBondContact O-N 3.4Å; Q529-L532 WeakPolarHBondContact O-CB 3.45Å; Q529-L532 PolarHBondContact O-N 3.06Å; Q529-L533 PolarHBondContact O-N 3.42Å |
| 530 | E | 90.2 | Very high | 89.4 | Confident | 130 Ų | 130 | 106.7 Ų | 106.7 | 61% | 0.607 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63 | -41.5 | 176.4 | -72.2 | 179 | 172 | 0 | 0 | 111.5 | T526 E527 L532 L533 V534 | T526-E530 WeakPolarHBondContact O-CG 3.45Å; T526-E530 PolarHBondContact O-N 3.1Å; E527-E530 PolarHBondContact O-N 2.96Å; E530-L532 VanDerWaalsContact C-N 3.32Å; E530-L532 PolarHBondContact O-N 3.04Å; E530-L533 WeakPolarHBondContact O-CB 3.42Å; E530-L533 PolarHBondContact O-N 3.42Å; E530-V534 WeakPolarHBondContact O-CG2 3.45Å; E530-V534 PolarHBondContact O-N 2.84Å |
| 531 | K | 90.5 | Very high | 89.5 | Confident | 140 Ų | 140 | 107 Ų | 107 | 61% | 0.609 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -59.9 | -41.6 | 174 | -176.6 | 177 | 179.7 | 175.6 | 0 | 112.2 | E527 Q529 L533 V534 Q535 | E527-K531 WeakPolarHBondContact O-CB 3.22Å; E527-K531 PolarHBondContact O-N 3.42Å; Q529-K531 VanDerWaalsContact C-N 3.35Å; Q529-K531 PolarHBondContact O-N 3.4Å; K531-L533 VanDerWaalsContact C-N 3.32Å; K531-L533 PolarHBondContact O-N 2.86Å; K531-V534 PolarHBondContact O-N 3.27Å; K531-Q535 VanDerWaalsContact O-CB 3.32Å; K531-Q535 WeakPolarHBondContact O-CB 3.3Å; K531-Q535 PolarHBondContact O-N 2.89Å |
| 532 | L | 89.6 | Confident | 89.6 | Confident | 103 Ų | 103 | 105.4 Ų | 105.4 | 54% | 0.539 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.7 | -40.8 | 177.1 | -137.4 | 89.5 | 0 | 0 | 0 | 111.4 | H528 Q529 E530 Q535 S536 | H528-L532 PolarHBondContact O-N 3.17Å; H528-L532 VanDerWaalsContact O-N 3.09Å; Q529-L532 WeakPolarHBondContact O-CB 3.45Å; Q529-L532 PolarHBondContact O-N 3.06Å; E530-L532 VanDerWaalsContact C-N 3.32Å; E530-L532 PolarHBondContact O-N 3.04Å; L532-Q535 PolarHBondContact O-N 3.35Å; L532-S536 PolarHBondContact O-N 3.34Å |
| 533 | L | 89.3 | Confident | 89.7 | Confident | 101 Ų | 101 | 103.8 Ų | 103.8 | 53% | 0.529 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.2 | -49.4 | 177.4 | -172.4 | 74.5 | 0 | 0 | 0 | 111.2 | Q529 E530 K531 Q535 S536 Q537 | Q529-L533 PolarHBondContact O-N 3.42Å; E530-L533 WeakPolarHBondContact O-CB 3.42Å; E530-L533 PolarHBondContact O-N 3.42Å; K531-L533 VanDerWaalsContact C-N 3.32Å; K531-L533 PolarHBondContact O-N 2.86Å; L533-Q535 VanDerWaalsContact C-N 3.29Å; L533-Q535 PolarHBondContact O-N 2.96Å; L533-S536 WeakPolarHBondContact O-CB 3.33Å; L533-S536 PolarHBondContact O-N 3.06Å; L533-S536 VanDerWaalsContact O-N 3.11Å; L533-S536 PolarHBondContact O-OG 2.92Å; L533-Q537 WeakPolarHBondContact O-CG 3.42Å; L533-Q537 PolarHBondContact O-N 3.5Å |
| 534 | V | 87.4 | Confident | 90 | Very high | 76 Ų | 76 | 107.8 Ų | 107.8 | 46% | 0.461 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61 | -40.4 | 177.5 | 173.6 | 0 | 0 | 0 | 0 | 111 | E530 K531 S536 Q537 L538 | E530-V534 WeakPolarHBondContact O-CG2 3.45Å; E530-V534 PolarHBondContact O-N 2.84Å; K531-V534 PolarHBondContact O-N 3.27Å; V534-S536 VanDerWaalsContact C-N 3.29Å; V534-S536 PolarHBondContact O-N 3.23Å; V534-Q537 PolarHBondContact O-N 2.9Å; V534-L538 HydrophobicContact CG1-CD1 4.15Å; V534-L538 PolarHBondContact O-N 2.69Å |
| 535 | Q | 91.4 | Very high | 90.1 | Very high | 112 Ų | 112 | 107.8 Ų | 107.8 | 52% | 0.523 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.7 | -33.5 | 177.2 | -164 | 173.4 | 12 | 0 | 0 | 112.4 | K531 L532 L533 K539 | K531-Q535 VanDerWaalsContact O-CB 3.32Å; K531-Q535 WeakPolarHBondContact O-CB 3.3Å; K531-Q535 PolarHBondContact O-N 2.89Å; L532-Q535 PolarHBondContact O-N 3.35Å; L533-Q535 VanDerWaalsContact C-N 3.29Å; L533-Q535 PolarHBondContact O-N 2.96Å; Q535-K539 PolarHBondContact O-N 2.69Å |
| 536 | S | 89.4 | Confident | 90.3 | Very high | 55 Ų | 55 | 108.2 Ų | 108.2 | 39% | 0.385 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -70 | -38.9 | 172.9 | 77.9 | 0 | 0 | 0 | 0 | 112.5 | L532 L533 V534 K539 I540 | L532-S536 PolarHBondContact O-N 3.34Å; L533-S536 WeakPolarHBondContact O-CB 3.33Å; L533-S536 PolarHBondContact O-N 3.06Å; L533-S536 VanDerWaalsContact O-N 3.11Å; L533-S536 PolarHBondContact O-OG 2.92Å; V534-S536 VanDerWaalsContact C-N 3.29Å; V534-S536 PolarHBondContact O-N 3.23Å; S536-K539 PolarHBondContact O-N 2.82Å; S536-I540 WeakPolarHBondContact O-CG1 3.44Å; S536-I540 PolarHBondContact O-N 3.18Å |
| 537 | Q | 91.2 | Very high | 90.4 | Very high | 102 Ų | 102 | 108 Ų | 108 | 48% | 0.477 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.7 | -40.2 | 176.6 | -70.6 | 177.5 | -12.7 | 0 | 0 | 111.7 | L533 V534 K539 I540 I541 | L533-Q537 WeakPolarHBondContact O-CG 3.42Å; L533-Q537 PolarHBondContact O-N 3.5Å; V534-Q537 PolarHBondContact O-N 2.9Å; Q537-K539 VanDerWaalsContact C-N 3.35Å; Q537-K539 PolarHBondContact O-N 2.85Å; Q537-I540 PolarHBondContact O-N 3.05Å; Q537-I540 VanDerWaalsContact O-N 3.14Å; Q537-I541 WeakPolarHBondContact O-CG1 3.33Å; Q537-I541 PolarHBondContact O-N 2.98Å |
| 538 | L | 89.4 | Confident | 90.5 | Very high | 90 Ų | 90 | 108.1 Ų | 108.1 | 47% | 0.471 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58 | -44.8 | 174.5 | -87 | 165.8 | 0 | 0 | 0 | 111.9 | V534 I540 I541 E542 | V534-L538 HydrophobicContact CG1-CD1 4.15Å; V534-L538 PolarHBondContact O-N 2.69Å; L538-I540 VanDerWaalsContact C-N 3.29Å; L538-I540 PolarHBondContact O-N 2.94Å; L538-I541 PolarHBondContact O-N 3.36Å; L538-I541 VanDerWaalsContact O-N 3.15Å; L538-E542 WeakPolarHBondContact O-CG 3.27Å; L538-E542 PolarHBondContact O-N 3.19Å |
| 539 | K | 91.5 | Very high | 90.5 | Very high | 144 Ų | 144 | 104.7 Ų | 104.7 | 63% | 0.626 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -58.8 | -38.4 | 175 | -83.7 | -174.7 | 174.8 | -178 | 0 | 113.2 | Q535 S536 Q537 Q543 | Q535-K539 PolarHBondContact O-N 2.69Å; S536-K539 PolarHBondContact O-N 2.82Å; Q537-K539 VanDerWaalsContact C-N 3.35Å; Q537-K539 PolarHBondContact O-N 2.85Å; K539-Q543 PolarHBondContact O-N 3.48Å |
| 540 | I | 91.6 | Very high | 90.6 | Very high | 97 Ų | 97 | 103.8 Ų | 103.8 | 50% | 0.497 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.7 | -40.3 | 177.9 | -65.5 | 167.8 | 0 | 0 | 0 | 110.5 | S536 Q537 L538 Q543 K544 | S536-I540 WeakPolarHBondContact O-CG1 3.44Å; S536-I540 PolarHBondContact O-N 3.18Å; Q537-I540 PolarHBondContact O-N 3.05Å; Q537-I540 VanDerWaalsContact O-N 3.14Å; L538-I540 VanDerWaalsContact C-N 3.29Å; L538-I540 PolarHBondContact O-N 2.94Å; I540-Q543 PolarHBondContact O-N 3.05Å; I540-K544 WeakPolarHBondContact O-CG 3.47Å; I540-K544 PolarHBondContact O-N 3.41Å |
| 541 | I | 86.7 | Confident | 90.6 | Very high | 107 Ų | 107 | 102.5 Ų | 102.5 | 55% | 0.549 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67 | -43.7 | 177.6 | -66.5 | 167.5 | 0 | 0 | 0 | 110.6 | Q537 L538 Q543 K544 F545 | Q537-I541 WeakPolarHBondContact O-CG1 3.33Å; Q537-I541 PolarHBondContact O-N 2.98Å; L538-I541 PolarHBondContact O-N 3.36Å; L538-I541 VanDerWaalsContact O-N 3.15Å; I541-Q543 VanDerWaalsContact C-N 3.31Å; I541-Q543 PolarHBondContact O-N 3.13Å; I541-K544 PolarHBondContact O-N 3.26Å; I541-F545 WeakPolarHBondContact O-CB 3.45Å; I541-F545 PolarHBondContact O-N 3.08Å |
| 542 | E | 90.6 | Very high | 90.5 | Very high | 119 Ų | 119 | 98.8 Ų | 98.8 | 56% | 0.556 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58.5 | -41.5 | 174.7 | -74.5 | 173.3 | 169.9 | 0 | 0 | 111.8 | L538 F545 N546 | L538-E542 WeakPolarHBondContact O-CG 3.27Å; L538-E542 PolarHBondContact O-N 3.19Å; E542-F545 PolarHBondContact O-N 3.34Å; E542-N546 PolarHBondContact O-N 3.49Å |
| 543 | Q | 92.4 | Very high | 90.5 | Very high | 104 Ų | 104 | 98 Ų | 98 | 49% | 0.486 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.6 | -47.3 | 175.4 | -173.9 | 60.7 | 42.5 | 0 | 0 | 111.7 | K539 I540 I541 F545 N546 D547 | K539-Q543 PolarHBondContact O-N 3.48Å; I540-Q543 PolarHBondContact O-N 3.05Å; I541-Q543 VanDerWaalsContact C-N 3.31Å; I541-Q543 PolarHBondContact O-N 3.13Å; Q543-F545 VanDerWaalsContact C-N 3.28Å; Q543-F545 PolarHBondContact O-N 3.26Å; Q543-N546 WeakPolarHBondContact O-CB 3.38Å; Q543-N546 PolarHBondContact O-N 3.12Å; Q543-N546 VanDerWaalsContact O-N 3.16Å; Q543-D547 PolarHBondContact NE2-OD1 3.31Å; Q543-D547 VanDerWaalsContact O-CG 3.23Å; Q543-D547 PolarHBondContact O-N 3.17Å |
| 544 | K | 92 | Very high | 90.6 | Very high | 136 Ų | 136 | 99.4 Ų | 99.4 | 59% | 0.591 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.7 | -36.1 | 177.7 | -73.9 | -179.6 | 177.5 | -175.4 | 0 | 112.6 | I540 I541 D547 M548 | I540-K544 WeakPolarHBondContact O-CG 3.47Å; I540-K544 PolarHBondContact O-N 3.41Å; I541-K544 PolarHBondContact O-N 3.26Å; K544-D547 PolarHBondContact O-N 3.27Å; K544-M548 WeakPolarHBondContact O-CB 3.48Å; K544-M548 PolarHBondContact O-N 3.08Å |
| 545 | F | 92.1 | Very high | 90.6 | Very high | 131 Ų | 131 | 100.9 Ų | 100.9 | 58% | 0.575 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.2 | -45.2 | 174.6 | -179.6 | -98 | 0 | 0 | 0 | 111.1 | I541 E542 Q543 D547 M548 C549 | I541-F545 WeakPolarHBondContact O-CB 3.45Å; I541-F545 PolarHBondContact O-N 3.08Å; E542-F545 PolarHBondContact O-N 3.34Å; Q543-F545 VanDerWaalsContact C-N 3.28Å; Q543-F545 PolarHBondContact O-N 3.26Å; F545-D547 PolarHBondContact O-N 2.98Å; F545-M548 PolarHBondContact O-N 3.38Å; F545-C549 PolarHBondContact O-N 3.29Å; F545-C549 PolarHBondContact O-SG 3.41Å; F545-C549 VanDerWaalsContact O-SG 3.37Å |
| 546 | N | 92.4 | Very high | 90.5 | Very high | 86 Ų | 86 | 102.6 Ų | 102.6 | 46% | 0.46 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.9 | -42.5 | 174.6 | -82.8 | -17.3 | 0 | 0 | 0 | 112.5 | E542 Q543 M548 C549 Q550 | E542-N546 PolarHBondContact O-N 3.49Å; Q543-N546 WeakPolarHBondContact O-CB 3.38Å; Q543-N546 PolarHBondContact O-N 3.12Å; Q543-N546 VanDerWaalsContact O-N 3.16Å; N546-M548 VanDerWaalsContact C-N 3.32Å; N546-M548 PolarHBondContact O-N 2.81Å; N546-C549 PolarHBondContact O-N 3.16Å; N546-Q550 WeakPolarHBondContact O-CG 3.31Å; N546-Q550 PolarHBondContact O-N 3.25Å |
| 547 | D | 91.4 | Very high | 90.6 | Very high | 66 Ų | 66 | 104.6 Ų | 104.6 | 35% | 0.353 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.8 | -40.5 | 177.3 | -60.8 | -16.7 | 0 | 0 | 0 | 111 | Q543 K544 F545 Q550 I551 | Q543-D547 PolarHBondContact NE2-OD1 3.31Å; Q543-D547 VanDerWaalsContact O-CG 3.23Å; Q543-D547 PolarHBondContact O-N 3.17Å; K544-D547 PolarHBondContact O-N 3.27Å; F545-D547 PolarHBondContact O-N 2.98Å; D547-Q550 PolarHBondContact O-N 3.13Å; D547-I551 WeakPolarHBondContact O-CG1 3.46Å; D547-I551 PolarHBondContact O-N 3.02Å; D547-I551 VanDerWaalsContact O-N 3.12Å |
| 548 | M | 89.8 | Confident | 90.5 | Very high | 120 Ų | 120 | 106.8 Ų | 106.8 | 59% | 0.591 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66 | -41.6 | 176.2 | -167.7 | -174.6 | -55 | 0 | 0 | 112.2 | K544 F545 N546 Q550 I551 V552 | K544-M548 WeakPolarHBondContact O-CB 3.48Å; K544-M548 PolarHBondContact O-N 3.08Å; F545-M548 PolarHBondContact O-N 3.38Å; N546-M548 VanDerWaalsContact C-N 3.32Å; N546-M548 PolarHBondContact O-N 2.81Å; M548-Q550 VanDerWaalsContact C-N 3.32Å; M548-Q550 PolarHBondContact O-N 2.93Å; M548-I551 PolarHBondContact O-N 3.18Å; M548-V552 WeakPolarHBondContact O-CG2 3.48Å; M548-V552 PolarHBondContact O-N 3.06Å |
| 549 | C | 90.9 | Very high | 90.5 | Very high | 48 Ų | 48 | 109 Ų | 109 | 32% | 0.324 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.1 | -43.2 | 174.3 | -72.4 | 0 | 0 | 0 | 0 | 111.6 | F545 N546 I551 V552 D553 | F545-C549 PolarHBondContact O-N 3.29Å; F545-C549 PolarHBondContact O-SG 3.41Å; F545-C549 VanDerWaalsContact O-SG 3.37Å; N546-C549 PolarHBondContact O-N 3.16Å; C549-I551 VanDerWaalsContact C-N 3.33Å; C549-I551 PolarHBondContact O-N 3.35Å; C549-V552 PolarHBondContact O-N 3.29Å; C549-D553 PolarHBondContact O-N 3Å |
| 550 | Q | 92.3 | Very high | 90.4 | Very high | 112 Ų | 112 | 106.6 Ų | 106.6 | 52% | 0.523 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.3 | -40.2 | 175.9 | -69.9 | 174 | 21.5 | 0 | 0 | 112.3 | N546 D547 M548 D553 H554 | N546-Q550 WeakPolarHBondContact O-CG 3.31Å; N546-Q550 PolarHBondContact O-N 3.25Å; D547-Q550 PolarHBondContact O-N 3.13Å; M548-Q550 VanDerWaalsContact C-N 3.32Å; M548-Q550 PolarHBondContact O-N 2.93Å; Q550-D553 PolarHBondContact O-N 3.28Å; Q550-H554 PolarHBondContact O-CD2 3.23Å; Q550-H554 PolarHBondContact O-N 2.98Å |
| 551 | I | 90.3 | Very high | 90.3 | Very high | 103 Ų | 103 | 104.3 Ų | 104.3 | 53% | 0.528 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 176.2 | -67.2 | 165.8 | 0 | 0 | 0 | 111 | D547 M548 C549 H554 L555 | D547-I551 WeakPolarHBondContact O-CG1 3.46Å; D547-I551 PolarHBondContact O-N 3.02Å; D547-I551 VanDerWaalsContact O-N 3.12Å; M548-I551 PolarHBondContact O-N 3.18Å; C549-I551 VanDerWaalsContact C-N 3.33Å; C549-I551 PolarHBondContact O-N 3.35Å; I551-H554 PolarHBondContact O-N 2.93Å; I551-L555 HydrophobicContact CG2-CD1 4.25Å; I551-L555 WeakPolarHBondContact O-CG 3.32Å; I551-L555 PolarHBondContact O-N 3.04Å |
| 552 | V | 87.9 | Confident | 90.3 | Very high | 62 Ų | 62 | 103.5 Ų | 103.5 | 38% | 0.376 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | 177.8 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | M548 C549 H554 L555 R556 | M548-V552 WeakPolarHBondContact O-CG2 3.48Å; M548-V552 PolarHBondContact O-N 3.06Å; C549-V552 PolarHBondContact O-N 3.29Å; V552-H554 VanDerWaalsContact C-N 3.34Å; V552-H554 PolarHBondContact O-N 2.96Å; V552-L555 PolarHBondContact O-N 2.89Å; V552-R556 WeakPolarHBondContact O-CG 3.46Å; V552-R556 PolarHBondContact O-N 3.25Å |
| 553 | D | 91.1 | Very high | 90.3 | Very high | 88 Ų | 88 | 103.6 Ų | 103.6 | 47% | 0.471 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.8 | -38.7 | 176.7 | -69.8 | -22.9 | 0 | 0 | 0 | 111.5 | C549 Q550 L555 R556 V557 | C549-D553 PolarHBondContact O-N 3Å; Q550-D553 PolarHBondContact O-N 3.28Å; D553-L555 PolarHBondContact O-N 3.39Å; D553-R556 PolarHBondContact O-N 3.18Å; D553-R556 IonicContact OD1-NH1 3.47Å; D553-V557 WeakPolarHBondContact O-CG2 3.47Å; D553-V557 PolarHBondContact O-N 2.93Å |
| 554 | H | 90.6 | Very high | 90.3 | Very high | 129 Ų | 129 | 103 Ų | 103 | 60% | 0.597 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.7 | -37.7 | 172.7 | -77 | -50.4 | 0 | 0 | 0 | 113.6 | Q550 I551 V552 K558 | Q550-H554 PolarHBondContact O-CD2 3.23Å; Q550-H554 PolarHBondContact O-N 2.98Å; I551-H554 PolarHBondContact O-N 2.93Å; V552-H554 VanDerWaalsContact C-N 3.34Å; V552-H554 PolarHBondContact O-N 2.96Å; H554-K558 PolarHBondContact O-N 2.89Å; H554-K558 VanDerWaalsContact O-N 3.14Å |
| 555 | L | 87.2 | Confident | 90.2 | Very high | 107 Ų | 107 | 102.6 Ų | 102.6 | 56% | 0.56 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.6 | -39.5 | 176.4 | -71.8 | 174.4 | 0 | 0 | 0 | 111.6 | I551 V552 D553 K558 E559 | I551-L555 HydrophobicContact CG2-CD1 4.25Å; I551-L555 WeakPolarHBondContact O-CG 3.32Å; I551-L555 PolarHBondContact O-N 3.04Å; V552-L555 PolarHBondContact O-N 2.89Å; D553-L555 PolarHBondContact O-N 3.39Å; L555-K558 WeakPolarHBondContact O-CB 3.32Å; L555-K558 PolarHBondContact O-N 3.33Å; L555-E559 PolarHBondContact O-N 2.94Å |
| 556 | R | 90.1 | Very high | 90.1 | Very high | 148 Ų | 148 | 102.7 Ų | 102.7 | 56% | 0.558 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.8 | -45.4 | 174.4 | -75.2 | 174.5 | 174.4 | 169.7 | -3.1 | 112.2 | V552 D553 K558 E559 D560 | V552-R556 WeakPolarHBondContact O-CG 3.46Å; V552-R556 PolarHBondContact O-N 3.25Å; D553-R556 PolarHBondContact O-N 3.18Å; D553-R556 IonicContact OD1-NH1 3.47Å; R556-K558 VanDerWaalsContact C-N 3.26Å; R556-K558 PolarHBondContact O-N 3.48Å; R556-E559 PolarHBondContact O-N 3.05Å; R556-E559 VanDerWaalsContact O-N 3.16Å; R556-D560 PolarHBondContact O-N 3.42Å |
| 557 | V | 91.9 | Very high | 90 | Very high | 97 Ų | 97 | 103.5 Ų | 103.5 | 59% | 0.588 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61 | -36.7 | 176.1 | 172.1 | 0 | 0 | 0 | 0 | 111.7 | D553 A561 | D553-V557 WeakPolarHBondContact O-CG2 3.47Å; D553-V557 PolarHBondContact O-N 2.93Å; V557-A561 WeakPolarHBondContact O-CB 3.49Å; V557-A561 PolarHBondContact O-N 3.31Å; V557-A561 VanDerWaalsContact O-N 3.09Å |
| 558 | K | 87.9 | Confident | 89.9 | Confident | 149 Ų | 149 | 106.1 Ų | 106.1 | 65% | 0.648 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.4 | -47.4 | 173.2 | -89.8 | -173.4 | 174.3 | -177 | 0 | 112 | H554 L555 R556 D560 A561 E562 | H554-K558 PolarHBondContact O-N 2.89Å; H554-K558 VanDerWaalsContact O-N 3.14Å; L555-K558 WeakPolarHBondContact O-CB 3.32Å; L555-K558 PolarHBondContact O-N 3.33Å; R556-K558 VanDerWaalsContact C-N 3.26Å; R556-K558 PolarHBondContact O-N 3.48Å; K558-D560 VanDerWaalsContact C-N 3.35Å; K558-D560 PolarHBondContact O-N 3.43Å; K558-A561 PolarHBondContact O-N 3.03Å; K558-E562 VanDerWaalsContact O-CG 3.31Å; K558-E562 WeakPolarHBondContact O-CG 3.45Å; K558-E562 PolarHBondContact O-N 3.17Å |
| 559 | E | 89.1 | Confident | 90 | Very high | 135 Ų | 135 | 106 Ų | 106 | 63% | 0.631 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.5 | -45.9 | 179 | -175.2 | 177.6 | -170.1 | 0 | 0 | 111.5 | L555 R556 A561 E562 K563 | L555-E559 PolarHBondContact O-N 2.94Å; R556-E559 PolarHBondContact O-N 3.05Å; R556-E559 VanDerWaalsContact O-N 3.16Å; E559-A561 PolarHBondContact O-N 3.02Å; E559-E562 PolarHBondContact O-N 3.03Å; E559-K563 WeakPolarHBondContact O-CB 3.43Å; E559-K563 PolarHBondContact O-N 2.89Å |
| 560 | D | 91.1 | Very high | 89.7 | Confident | 94 Ų | 94 | 108.3 Ų | 108.3 | 50% | 0.503 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 175.8 | -70.7 | -27.8 | 0 | 0 | 0 | 111.3 | R556 K558 E562 K563 D564 | R556-D560 PolarHBondContact O-N 3.42Å; K558-D560 VanDerWaalsContact C-N 3.35Å; K558-D560 PolarHBondContact O-N 3.43Å; D560-E562 PolarHBondContact O-N 3.3Å; D560-K563 WeakPolarHBondContact O-CB 3.37Å; D560-K563 PolarHBondContact O-N 3.43Å; D560-D564 PolarHBondContact O-N 3.11Å |
| 561 | A | 88.2 | Confident | 89.6 | Confident | 50 Ų | 50 | 108 Ų | 108 | 41% | 0.413 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.3 | -34.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V557 K558 E559 R565 | V557-A561 WeakPolarHBondContact O-CB 3.49Å; V557-A561 PolarHBondContact O-N 3.31Å; V557-A561 VanDerWaalsContact O-N 3.09Å; K558-A561 PolarHBondContact O-N 3.03Å; E559-A561 PolarHBondContact O-N 3.02Å; A561-R565 WeakPolarHBondContact O-CG 3.36Å; A561-R565 PolarHBondContact O-N 3.15Å |
| 562 | E | 87.7 | Confident | 89.7 | Confident | 90 Ų | 90 | 107.8 Ų | 107.8 | 42% | 0.421 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -70.1 | -39.9 | 174.2 | -61.9 | -150 | 124.8 | 0 | 0 | 111.7 | K558 E559 D560 D564 R565 Y566 | K558-E562 VanDerWaalsContact O-CG 3.31Å; K558-E562 WeakPolarHBondContact O-CG 3.45Å; K558-E562 PolarHBondContact O-N 3.17Å; E559-E562 PolarHBondContact O-N 3.03Å; D560-E562 PolarHBondContact O-N 3.3Å; E562-D564 VanDerWaalsContact C-N 3.33Å; E562-D564 PolarHBondContact O-N 3.35Å; E562-R565 WeakPolarHBondContact O-CB 3.3Å; E562-R565 PolarHBondContact O-N 3.4Å; E562-R565 IonicContact OE1-CZ 2.89Å; E562-R565 IonicContact OE1-NH1 3.57Å; E562-R565 PolarHBondContact OE1-NH1 3.49Å; E562-R565 IonicContact OE1-NH2 2.86Å; E562-R565 PolarHBondContact OE1-NH2 3.2Å; E562-Y566 HydrophobicContact CB-CE2 4.44Å; E562-Y566 WeakPolarHBondContact O-CD2 3.43Å; E562-Y566 PolarHBondContact O-N 3.22Å; E562-Y566 VanDerWaalsContact O-N 3.08Å |
| 563 | K | 89.8 | Confident | 89.8 | Confident | 121 Ų | 121 | 109.5 Ų | 109.5 | 53% | 0.526 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.9 | -44.3 | 175.5 | -170.5 | -177.8 | 173.4 | -168.5 | 0 | 111.4 | E559 D560 R565 Y566 E567 | E559-K563 WeakPolarHBondContact O-CB 3.43Å; E559-K563 PolarHBondContact O-N 2.89Å; D560-K563 WeakPolarHBondContact O-CB 3.37Å; D560-K563 PolarHBondContact O-N 3.43Å; K563-R565 VanDerWaalsContact C-N 3.32Å; K563-R565 PolarHBondContact O-N 3.06Å; K563-Y566 PolarHBondContact O-N 3.41Å; K563-E567 WeakPolarHBondContact CE-OE1 3.28Å; K563-E567 PolarHBondContact O-N 3.09Å |
| 564 | D | 91.8 | Very high | 89.8 | Confident | 91 Ų | 91 | 109.5 Ų | 109.5 | 49% | 0.487 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.1 | -37.9 | 175.9 | -72.8 | -11.1 | 0 | 0 | 0 | 112.4 | D560 E562 E567 Q568 | D560-D564 PolarHBondContact O-N 3.11Å; E562-D564 VanDerWaalsContact C-N 3.33Å; E562-D564 PolarHBondContact O-N 3.35Å; D564-E567 PolarHBondContact O-N 2.75Å; D564-Q568 WeakPolarHBondContact O-CG 3.17Å; D564-Q568 PolarHBondContact O-N 2.96Å |
| 565 | R | 90.4 | Very high | 89.8 | Confident | 128 Ų | 128 | 108.4 Ų | 108.4 | 48% | 0.483 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.6 | -45.1 | 174.4 | -69.8 | -169.5 | -38.9 | -118.5 | -1.9 | 111.7 | A561 E562 K563 E567 Q568 E569 | A561-R565 WeakPolarHBondContact O-CG 3.36Å; A561-R565 PolarHBondContact O-N 3.15Å; E562-R565 WeakPolarHBondContact O-CB 3.3Å; E562-R565 PolarHBondContact O-N 3.4Å; E562-R565 IonicContact OE1-CZ 2.89Å; E562-R565 IonicContact OE1-NH1 3.57Å; E562-R565 PolarHBondContact OE1-NH1 3.49Å; E562-R565 IonicContact OE1-NH2 2.86Å; E562-R565 PolarHBondContact OE1-NH2 3.2Å; K563-R565 VanDerWaalsContact C-N 3.32Å; K563-R565 PolarHBondContact O-N 3.06Å; R565-E567 VanDerWaalsContact C-N 3.33Å; R565-Q568 PolarHBondContact O-N 2.95Å; R565-E569 PolarHBondContact O-N 3.36Å |
| 566 | Y | 89.3 | Confident | 90 | Very high | 132 Ų | 132 | 107.7 Ų | 107.7 | 52% | 0.518 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.7 | -39.1 | 179.3 | -71.6 | -55 | 0 | 0 | 0 | 111.7 | E562 K563 E569 I570 | E562-Y566 HydrophobicContact CB-CE2 4.44Å; E562-Y566 WeakPolarHBondContact O-CD2 3.43Å; E562-Y566 PolarHBondContact O-N 3.22Å; E562-Y566 VanDerWaalsContact O-N 3.08Å; K563-Y566 PolarHBondContact O-N 3.41Å; Y566-E569 PolarHBondContact O-N 3.38Å; Y566-I570 VanDerWaalsContact O-CG1 3.28Å; Y566-I570 WeakPolarHBondContact O-CG1 3.42Å; Y566-I570 PolarHBondContact O-N 3.09Å |
| 567 | E | 90.8 | Very high | 89.9 | Confident | 103 Ų | 103 | 104.2 Ų | 104.2 | 48% | 0.481 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.4 | -41.9 | 174.8 | -74 | -178.7 | -172.3 | 0 | 0 | 111.8 | K563 D564 R565 E569 I570 E571 | K563-E567 WeakPolarHBondContact CE-OE1 3.28Å; K563-E567 PolarHBondContact O-N 3.09Å; D564-E567 PolarHBondContact O-N 2.75Å; R565-E567 VanDerWaalsContact C-N 3.33Å; E567-E569 PolarHBondContact O-N 3.09Å; E567-I570 PolarHBondContact O-N 3.49Å; E567-E571 PolarHBondContact O-N 2.95Å |
| 568 | Q | 90.8 | Very high | 89.7 | Confident | 121 Ų | 121 | 103.5 Ų | 103.5 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.3 | -40.3 | 174.3 | -74.9 | 173.8 | 9.6 | 0 | 0 | 112.9 | D564 R565 E571 N572 | D564-Q568 WeakPolarHBondContact O-CG 3.17Å; D564-Q568 PolarHBondContact O-N 2.96Å; R565-Q568 PolarHBondContact O-N 2.95Å; Q568-E571 PolarHBondContact O-N 3.48Å; Q568-N572 VanDerWaalsContact O-CG 3.22Å; Q568-N572 PolarHBondContact O-N 2.98Å; Q568-N572 PolarHBondContact O-ND2 3.34Å |
| 569 | E | 91.5 | Very high | 89.7 | Confident | 117 Ų | 117 | 102.3 Ų | 102.3 | 55% | 0.547 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67 | -40.3 | 179.2 | -160.7 | 164.9 | -151.1 | 0 | 0 | 111.5 | R565 Y566 E567 N572 L573 | R565-E569 PolarHBondContact O-N 3.36Å; Y566-E569 PolarHBondContact O-N 3.38Å; E567-E569 PolarHBondContact O-N 3.09Å; E569-N572 PolarHBondContact O-N 3.35Å; E569-L573 WeakPolarHBondContact O-CG 3.37Å; E569-L573 PolarHBondContact O-N 2.97Å |
| 570 | I | 84.9 | Confident | 89.7 | Confident | 98 Ų | 98 | 100.2 Ų | 100.2 | 50% | 0.503 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 171.8 | -69.9 | 167.4 | 0 | 0 | 0 | 110.9 | Y566 E567 N572 L573 N574 | Y566-I570 VanDerWaalsContact O-CG1 3.28Å; Y566-I570 WeakPolarHBondContact O-CG1 3.42Å; Y566-I570 PolarHBondContact O-N 3.09Å; E567-I570 PolarHBondContact O-N 3.49Å; I570-N572 VanDerWaalsContact C-N 3.35Å; I570-N572 PolarHBondContact O-N 3.15Å; I570-L573 PolarHBondContact O-N 2.89Å; I570-N574 WeakPolarHBondContact O-CB 3.34Å; I570-N574 PolarHBondContact O-N 3.33Å; I570-N574 PolarHBondContact O-ND2 2.88Å; I570-N574 VanDerWaalsContact O-ND2 3.13Å |
| 571 | E | 90.3 | Very high | 89.6 | Confident | 105 Ų | 105 | 104.1 Ų | 104.1 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.6 | -40.6 | 178 | -159.9 | -171.6 | 147 | 0 | 0 | 112 | E567 Q568 N574 K575 | E567-E571 PolarHBondContact O-N 2.95Å; Q568-E571 PolarHBondContact O-N 3.48Å; E571-N574 PolarHBondContact O-N 2.94Å; E571-K575 WeakPolarHBondContact O-CG 3.29Å; E571-K575 PolarHBondContact O-N 2.95Å; E571-K575 WeakPolarHBondContact OE1-CE 3.33Å; E571-K575 IonicContact OE1-NZ 3.93Å; E571-K575 PolarHBondContact OE1-NZ 2.92Å |
| 572 | N | 91.8 | Very high | 89.5 | Confident | 98 Ų | 98 | 104 Ų | 104 | 52% | 0.524 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.4 | -43.2 | 176.3 | -70.2 | -23.4 | 0 | 0 | 0 | 112.2 | Q568 E569 I570 N574 K575 L576 | Q568-N572 VanDerWaalsContact O-CG 3.22Å; Q568-N572 PolarHBondContact O-N 2.98Å; Q568-N572 PolarHBondContact O-ND2 3.34Å; E569-N572 PolarHBondContact O-N 3.35Å; I570-N572 VanDerWaalsContact C-N 3.35Å; I570-N572 PolarHBondContact O-N 3.15Å; N572-N574 VanDerWaalsContact C-N 3.33Å; N572-N574 PolarHBondContact O-N 3.03Å; N572-K575 PolarHBondContact O-N 2.81Å; N572-L576 PolarHBondContact O-N 3.41Å; N572-L576 VanDerWaalsContact O-N 3.08Å |
| 573 | L | 90.5 | Very high | 89.5 | Confident | 99 Ų | 99 | 104.7 Ų | 104.7 | 52% | 0.518 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.5 | -40.5 | 175.2 | -74.4 | 169.9 | 0 | 0 | 0 | 111.8 | E569 I570 K575 L576 I577 | E569-L573 WeakPolarHBondContact O-CG 3.37Å; E569-L573 PolarHBondContact O-N 2.97Å; I570-L573 PolarHBondContact O-N 2.89Å; L573-K575 PolarHBondContact O-N 3.33Å; L573-L576 PolarHBondContact O-N 3.15Å; L573-I577 WeakPolarHBondContact O-CG1 3.27Å; L573-I577 PolarHBondContact O-N 3.45Å |
| 574 | N | 89.8 | Confident | 89.3 | Confident | 88 Ų | 88 | 104 Ų | 104 | 47% | 0.471 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.7 | -40.1 | 176.6 | -76.1 | -37.5 | 0 | 0 | 0 | 112.3 | I570 E571 N572 I577 T578 | I570-N574 WeakPolarHBondContact O-CB 3.34Å; I570-N574 PolarHBondContact O-N 3.33Å; I570-N574 PolarHBondContact O-ND2 2.88Å; I570-N574 VanDerWaalsContact O-ND2 3.13Å; E571-N574 PolarHBondContact O-N 2.94Å; N572-N574 VanDerWaalsContact C-N 3.33Å; N572-N574 PolarHBondContact O-N 3.03Å; N574-I577 PolarHBondContact O-N 3.33Å; N574-T578 WeakPolarHBondContact O-CG2 3.47Å; N574-T578 PolarHBondContact O-N 2.98Å; N574-T578 PolarHBondContact O-OG1 3.36Å |
| 575 | K | 90.6 | Very high | 89 | Confident | 105 Ų | 105 | 107.4 Ų | 107.4 | 46% | 0.457 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60 | -46.1 | 173.4 | -73.7 | 170.1 | -174.9 | 157.7 | 0 | 111.4 | E571 N572 L573 I577 T578 E579 | E571-K575 WeakPolarHBondContact O-CG 3.29Å; E571-K575 PolarHBondContact O-N 2.95Å; E571-K575 WeakPolarHBondContact OE1-CE 3.33Å; E571-K575 IonicContact OE1-NZ 3.93Å; E571-K575 PolarHBondContact OE1-NZ 2.92Å; N572-K575 PolarHBondContact O-N 2.81Å; L573-K575 PolarHBondContact O-N 3.33Å; K575-I577 VanDerWaalsContact C-N 3.35Å; K575-I577 PolarHBondContact O-N 2.83Å; K575-T578 WeakPolarHBondContact CA-OG1 3.27Å; K575-T578 PolarHBondContact O-N 2.88Å; K575-T578 VanDerWaalsContact O-N 3.11Å; K575-T578 PolarHBondContact O-OG1 2.89Å; K575-E579 PolarHBondContact O-N 2.88Å; K575-E579 VanDerWaalsContact O-N 3.07Å |
| 576 | L | 92.7 | Very high | 88.8 | Confident | 92 Ų | 92 | 105.6 Ų | 105.6 | 48% | 0.482 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.9 | -42 | 177.6 | -174.1 | 65.9 | 0 | 0 | 0 | 112.4 | N572 L573 T578 E579 I580 | N572-L576 PolarHBondContact O-N 3.41Å; N572-L576 VanDerWaalsContact O-N 3.08Å; L573-L576 PolarHBondContact O-N 3.15Å; L576-T578 VanDerWaalsContact C-N 3.3Å; L576-T578 PolarHBondContact O-N 2.9Å; L576-E579 PolarHBondContact O-N 3.3Å; L576-I580 HydrophobicContact CG-CD1 4.28Å; L576-I580 WeakPolarHBondContact O-CG1 3.41Å; L576-I580 PolarHBondContact O-N 2.89Å; L576-I580 VanDerWaalsContact O-N 3.08Å |
| 577 | I | 86.4 | Confident | 88.6 | Confident | 75 Ų | 75 | 101.3 Ų | 101.3 | 39% | 0.385 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.8 | -39.1 | 175.7 | -70 | 168.3 | 0 | 0 | 0 | 111.1 | L573 N574 K575 I580 R581 | L573-I577 WeakPolarHBondContact O-CG1 3.27Å; L573-I577 PolarHBondContact O-N 3.45Å; N574-I577 PolarHBondContact O-N 3.33Å; K575-I577 VanDerWaalsContact C-N 3.35Å; K575-I577 PolarHBondContact O-N 2.83Å; I577-I580 PolarHBondContact O-N 3.41Å; I577-R581 VanDerWaalsContact O-CG 3.32Å; I577-R581 WeakPolarHBondContact O-CG 3.39Å; I577-R581 PolarHBondContact O-N 3.31Å |
| 578 | T | 87.9 | Confident | 88.3 | Confident | 83 Ų | 83 | 101.7 Ų | 101.7 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.2 | -36.4 | 177.8 | 56.1 | 0 | 0 | 0 | 0 | 113.1 | N574 K575 L576 R581 A582 | N574-T578 WeakPolarHBondContact O-CG2 3.47Å; N574-T578 PolarHBondContact O-N 2.98Å; N574-T578 PolarHBondContact O-OG1 3.36Å; K575-T578 WeakPolarHBondContact CA-OG1 3.27Å; K575-T578 PolarHBondContact O-N 2.88Å; K575-T578 VanDerWaalsContact O-N 3.11Å; K575-T578 PolarHBondContact O-OG1 2.89Å; L576-T578 VanDerWaalsContact C-N 3.3Å; L576-T578 PolarHBondContact O-N 2.9Å; T578-R581 PolarHBondContact O-N 3.29Å; T578-A582 PolarHBondContact O-N 2.99Å |
| 579 | E | 88.7 | Confident | 87.8 | Confident | 123 Ų | 123 | 98.4 Ų | 98.4 | 58% | 0.575 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.7 | -48.6 | 173.6 | -77 | 179.4 | 163.5 | 0 | 0 | 111.4 | K575 L576 R581 A582 D583 | K575-E579 PolarHBondContact O-N 2.88Å; K575-E579 VanDerWaalsContact O-N 3.07Å; L576-E579 PolarHBondContact O-N 3.3Å; E579-R581 VanDerWaalsContact C-N 3.27Å; E579-R581 PolarHBondContact O-N 3.26Å; E579-A582 WeakPolarHBondContact O-CB 3.47Å; E579-A582 PolarHBondContact O-N 3.47Å; E579-D583 PolarHBondContact O-N 2.73Å |
| 580 | I | 88.2 | Confident | 87.4 | Confident | 91 Ų | 91 | 101.1 Ų | 101.1 | 47% | 0.467 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.6 | -41 | 177.5 | -66.7 | 168.7 | 0 | 0 | 0 | 111.1 | L576 I577 A582 D583 N584 | L576-I580 HydrophobicContact CG-CD1 4.28Å; L576-I580 WeakPolarHBondContact O-CG1 3.41Å; L576-I580 PolarHBondContact O-N 2.89Å; L576-I580 VanDerWaalsContact O-N 3.08Å; I577-I580 PolarHBondContact O-N 3.41Å; I580-A582 VanDerWaalsContact C-N 3.35Å; I580-A582 PolarHBondContact O-N 2.75Å; I580-D583 PolarHBondContact O-N 3.23Å; I580-N584 WeakPolarHBondContact O-CB 3.1Å; I580-N584 PolarHBondContact O-N 2.93Å |
| 581 | R | 88.8 | Confident | 87.1 | Confident | 177 Ų | 177 | 99.2 Ų | 99.2 | 67% | 0.668 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.2 | -39.4 | 175.7 | -75.5 | 174.9 | 179.2 | 171.2 | 1.7 | 112.3 | I577 T578 E579 K585 | I577-R581 VanDerWaalsContact O-CG 3.32Å; I577-R581 WeakPolarHBondContact O-CG 3.39Å; I577-R581 PolarHBondContact O-N 3.31Å; T578-R581 PolarHBondContact O-N 3.29Å; E579-R581 VanDerWaalsContact C-N 3.27Å; E579-R581 PolarHBondContact O-N 3.26Å; R581-K585 PolarHBondContact O-N 2.89Å; R581-K585 VanDerWaalsContact O-N 3.13Å |
| 582 | A | 87.6 | Confident | 86.7 | Confident | 47 Ų | 47 | 99.2 Ų | 99.2 | 39% | 0.388 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.7 | -43.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | T578 E579 I580 N584 K585 N586 | T578-A582 PolarHBondContact O-N 2.99Å; E579-A582 WeakPolarHBondContact O-CB 3.47Å; E579-A582 PolarHBondContact O-N 3.47Å; I580-A582 VanDerWaalsContact C-N 3.35Å; I580-A582 PolarHBondContact O-N 2.75Å; A582-N584 PolarHBondContact O-N 3.12Å; A582-K585 WeakPolarHBondContact O-CB 3.38Å; A582-K585 PolarHBondContact O-N 3.07Å; A582-N586 VanDerWaalsContact O-CG 3.31Å; A582-N586 PolarHBondContact O-N 2.96Å; A582-N586 PolarHBondContact O-ND2 3.48Å |
| 583 | D | 86.4 | Confident | 86.3 | Confident | 104 Ų | 104 | 98.5 Ų | 98.5 | 56% | 0.556 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.3 | -42.1 | 177.6 | -80.1 | -12.4 | 0 | 0 | 0 | 112.4 | E579 I580 K585 N586 A587 | E579-D583 PolarHBondContact O-N 2.73Å; I580-D583 PolarHBondContact O-N 3.23Å; D583-K585 VanDerWaalsContact C-N 3.32Å; D583-K585 PolarHBondContact O-N 2.99Å; D583-N586 PolarHBondContact O-N 3Å; D583-A587 WeakPolarHBondContact O-CB 3.5Å; D583-A587 PolarHBondContact O-N 3.42Å |
| 584 | N | 85.2 | Confident | 85.7 | Confident | 106 Ų | 106 | 96.5 Ų | 96.5 | 57% | 0.567 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.8 | -40.4 | 174.8 | -78.3 | -18 | 0 | 0 | 0 | 111.9 | I580 A582 N586 A587 L588 | I580-N584 WeakPolarHBondContact O-CB 3.1Å; I580-N584 PolarHBondContact O-N 2.93Å; A582-N584 PolarHBondContact O-N 3.12Å; N584-N586 VanDerWaalsContact C-N 3.34Å; N584-N586 PolarHBondContact O-N 2.77Å; N584-A587 PolarHBondContact O-N 3.1Å; N584-L588 PolarHBondContact O-N 3.16Å |
| 585 | K | 86 | Confident | 85.1 | Confident | 163 Ų | 163 | 98.9 Ų | 98.9 | 71% | 0.709 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.6 | -40.4 | 175.2 | -168 | 177.7 | -178.6 | 179.3 | 0 | 111.8 | R581 A582 D583 L588 A589 | R581-K585 PolarHBondContact O-N 2.89Å; R581-K585 VanDerWaalsContact O-N 3.13Å; A582-K585 WeakPolarHBondContact O-CB 3.38Å; A582-K585 PolarHBondContact O-N 3.07Å; D583-K585 VanDerWaalsContact C-N 3.32Å; D583-K585 PolarHBondContact O-N 2.99Å; K585-L588 PolarHBondContact O-N 2.89Å; K585-A589 PolarHBondContact O-N 2.9Å; K585-A589 VanDerWaalsContact O-N 3.11Å |
| 586 | N | 85.8 | Confident | 84.6 | Confident | 91 Ų | 91 | 99.6 Ų | 99.6 | 49% | 0.487 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68 | -33.5 | 175.9 | -68.4 | -27.1 | 0 | 0 | 0 | 112.6 | A582 D583 N584 R590 | A582-N586 VanDerWaalsContact O-CG 3.31Å; A582-N586 PolarHBondContact O-N 2.96Å; A582-N586 PolarHBondContact O-ND2 3.48Å; D583-N586 PolarHBondContact O-N 3Å; N584-N586 VanDerWaalsContact C-N 3.34Å; N584-N586 PolarHBondContact O-N 2.77Å; N586-R590 WeakPolarHBondContact O-CG 3.36Å; N586-R590 PolarHBondContact O-N 2.96Å; N586-R590 PolarHBondContact O-NE 2.86Å |
| 587 | A | 85.9 | Confident | 83.9 | Confident | 41 Ų | 41 | 101.5 Ų | 101.5 | 34% | 0.339 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.4 | -43 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | D583 N584 R590 A591 | D583-A587 WeakPolarHBondContact O-CB 3.5Å; D583-A587 PolarHBondContact O-N 3.42Å; N584-A587 PolarHBondContact O-N 3.1Å; A587-R590 WeakPolarHBondContact O-CB 3.36Å; A587-R590 PolarHBondContact O-N 2.95Å; A587-A591 PolarHBondContact O-N 3.26Å |
| 588 | L | 84.1 | Confident | 83.4 | Confident | 111 Ų | 111 | 102.2 Ų | 102.2 | 58% | 0.581 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.2 | -47.2 | 176.9 | -163.2 | 78.3 | 0 | 0 | 0 | 111.5 | N584 K585 R590 A591 E592 | N584-L588 PolarHBondContact O-N 3.16Å; K585-L588 PolarHBondContact O-N 2.89Å; L588-R590 VanDerWaalsContact C-N 3.27Å; L588-R590 PolarHBondContact O-N 2.76Å; L588-A591 WeakPolarHBondContact O-CB 3.47Å; L588-A591 PolarHBondContact O-N 3.35Å; L588-E592 PolarHBondContact O-N 2.92Å |
| 589 | A | 81 | Confident | 82.8 | Confident | 53 Ų | 53 | 102.9 Ų | 102.9 | 44% | 0.438 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.6 | -33.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | K585 N593 | K585-A589 PolarHBondContact O-N 2.9Å; K585-A589 VanDerWaalsContact O-N 3.11Å; A589-N593 PolarHBondContact O-N 3.11Å |
| 590 | R | 81.9 | Confident | 82.4 | Confident | 174 Ų | 174 | 103.8 Ų | 103.8 | 66% | 0.657 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -68.1 | -39.4 | 173.8 | -78.6 | -178.2 | -76.8 | 152.4 | -8.4 | 111.9 | N586 A587 L588 A594 | N586-R590 WeakPolarHBondContact O-CG 3.36Å; N586-R590 PolarHBondContact O-N 2.96Å; N586-R590 PolarHBondContact O-NE 2.86Å; A587-R590 WeakPolarHBondContact O-CB 3.36Å; A587-R590 PolarHBondContact O-N 2.95Å; L588-R590 VanDerWaalsContact C-N 3.27Å; L588-R590 PolarHBondContact O-N 2.76Å; R590-A594 PolarHBondContact O-N 2.83Å; R590-A594 VanDerWaalsContact O-N 3.17Å |
| 591 | A | 80 | Confident | 81.8 | Confident | 57 Ų | 57 | 102.9 Ų | 102.9 | 47% | 0.471 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.2 | -46.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A587 L588 N593 A594 E595 | A587-A591 PolarHBondContact O-N 3.26Å; L588-A591 WeakPolarHBondContact O-CB 3.47Å; L588-A591 PolarHBondContact O-N 3.35Å; A591-N593 VanDerWaalsContact C-N 3.32Å; A591-N593 PolarHBondContact O-N 3.15Å; A591-A594 WeakPolarHBondContact O-CB 3.3Å; A591-A594 PolarHBondContact O-N 2.98Å; A591-A594 VanDerWaalsContact O-N 3.1Å; A591-E595 PolarHBondContact O-N 3.27Å |
| 592 | E | 80.9 | Confident | 81.1 | Confident | 106 Ų | 106 | 100 Ų | 100 | 50% | 0.495 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.4 | -41.3 | 177.4 | -71.1 | 175.5 | 172.7 | 0 | 0 | 112.3 | L588 A594 E595 Q596 | L588-E592 PolarHBondContact O-N 2.92Å; E592-A594 PolarHBondContact O-N 3.27Å; E592-E595 PolarHBondContact O-N 3.18Å; E592-Q596 WeakPolarHBondContact O-CG 3.2Å; E592-Q596 PolarHBondContact O-N 3.31Å; E592-Q596 VanDerWaalsContact O-N 3.1Å |
| 593 | N | 83.3 | Confident | 80.5 | Confident | 83 Ų | 83 | 101.7 Ų | 101.7 | 44% | 0.444 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.5 | -34 | 177.7 | -165.8 | -1.2 | 0 | 0 | 0 | 112.3 | A589 A591 K597 | A589-N593 PolarHBondContact O-N 3.11Å; A591-N593 VanDerWaalsContact C-N 3.32Å; A591-N593 PolarHBondContact O-N 3.15Å; N593-K597 WeakPolarHBondContact O-CG 3.14Å; N593-K597 PolarHBondContact O-N 2.95Å |
| 594 | A | 78.5 | Confident | 79.9 | Confident | 57 Ų | 57 | 102.4 Ų | 102.4 | 47% | 0.471 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.3 | -39.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | R590 A591 E592 K597 L598 | R590-A594 PolarHBondContact O-N 2.83Å; R590-A594 VanDerWaalsContact O-N 3.17Å; A591-A594 WeakPolarHBondContact O-CB 3.3Å; A591-A594 PolarHBondContact O-N 2.98Å; A591-A594 VanDerWaalsContact O-N 3.1Å; E592-A594 PolarHBondContact O-N 3.27Å; A594-K597 PolarHBondContact O-N 3.39Å; A594-L598 PolarHBondContact O-N 3.38Å |
| 595 | E | 76.6 | Confident | 79.3 | Confident | 137 Ų | 137 | 102.5 Ų | 102.5 | 64% | 0.64 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.2 | -44.1 | 176.5 | -168.2 | 174.4 | -168.5 | 0 | 0 | 111.9 | A591 E592 K597 L598 D599 | A591-E595 PolarHBondContact O-N 3.27Å; E592-E595 PolarHBondContact O-N 3.18Å; E595-K597 VanDerWaalsContact C-N 3.3Å; E595-K597 PolarHBondContact O-N 3.41Å; E595-L598 WeakPolarHBondContact O-CB 3.49Å; E595-L598 PolarHBondContact O-N 3.18Å; E595-L598 VanDerWaalsContact O-N 3.12Å; E595-D599 PolarHBondContact O-N 3.07Å |
| 596 | Q | 79.6 | Confident | 78.6 | Confident | 121 Ų | 121 | 103.8 Ų | 103.8 | 57% | 0.565 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.5 | -36 | 175.2 | -70.7 | 179.6 | 14.4 | 0 | 0 | 113.2 | E592 K600 | E592-Q596 WeakPolarHBondContact O-CG 3.2Å; E592-Q596 PolarHBondContact O-N 3.31Å; E592-Q596 VanDerWaalsContact O-N 3.1Å; Q596-K600 WeakPolarHBondContact O-CG 3.35Å; Q596-K600 PolarHBondContact O-N 3.37Å |
| 597 | K | 78.1 | Confident | 78 | Confident | 132 Ų | 132 | 104.5 Ų | 104.5 | 57% | 0.574 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -67.5 | -40.9 | 174.6 | -73.6 | 177.1 | -176.8 | 178.8 | 0 | 111.3 | N593 A594 E595 D599 K600 T601 | N593-K597 WeakPolarHBondContact O-CG 3.14Å; N593-K597 PolarHBondContact O-N 2.95Å; A594-K597 PolarHBondContact O-N 3.39Å; E595-K597 VanDerWaalsContact C-N 3.3Å; E595-K597 PolarHBondContact O-N 3.41Å; K597-D599 VanDerWaalsContact C-N 3.33Å; K597-D599 PolarHBondContact O-N 3.18Å; K597-K600 PolarHBondContact O-N 3.29Å; K597-T601 WeakPolarHBondContact O-CG2 3.34Å; K597-T601 PolarHBondContact O-N 2.95Å; K597-T601 PolarHBondContact O-OG1 2.86Å |
| 598 | L | 76.4 | Confident | 77.4 | Confident | 89 Ų | 89 | 109.2 Ų | 109.2 | 47% | 0.466 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.9 | -44.8 | 177.7 | -177 | 65.1 | 0 | 0 | 0 | 111 | A594 E595 K600 T601 K602 | A594-L598 PolarHBondContact O-N 3.38Å; E595-L598 WeakPolarHBondContact O-CB 3.49Å; E595-L598 PolarHBondContact O-N 3.18Å; E595-L598 VanDerWaalsContact O-N 3.12Å; L598-K600 PolarHBondContact O-N 3.22Å; L598-T601 WeakPolarHBondContact CA-OG1 3.37Å; L598-T601 PolarHBondContact O-N 2.83Å; L598-T601 VanDerWaalsContact O-N 3.12Å; L598-T601 PolarHBondContact O-OG1 3.15Å; L598-K602 HydrophobicContact CG-CD 4.48Å; L598-K602 WeakPolarHBondContact O-CG 3.47Å; L598-K602 PolarHBondContact O-N 3.01Å |
| 599 | D | 75.9 | Confident | 76.6 | Confident | 98 Ų | 98 | 110.4 Ų | 110.4 | 52% | 0.524 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.7 | -37.5 | 179.5 | -112.6 | 20.6 | 0 | 0 | 0 | 113.3 | E595 K597 T601 K602 T603 | E595-D599 PolarHBondContact O-N 3.07Å; K597-D599 VanDerWaalsContact C-N 3.33Å; K597-D599 PolarHBondContact O-N 3.18Å; D599-T601 VanDerWaalsContact C-N 3.32Å; D599-T601 PolarHBondContact O-N 3.45Å; D599-K602 PolarHBondContact O-N 2.93Å; D599-T603 PolarHBondContact O-N 3.38Å; D599-T603 VanDerWaalsContact O-N 3.07Å; D599-T603 PolarHBondContact O-OG1 3.44Å |
| 600 | K | 79.3 | Confident | 76 | Confident | 142 Ų | 142 | 111.2 Ų | 111.2 | 62% | 0.617 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.3 | -38.2 | 170.9 | -73.6 | 177.2 | -179.2 | 175.5 | 0 | 112.4 | Q596 K597 L598 T603 L604 | Q596-K600 WeakPolarHBondContact O-CG 3.35Å; Q596-K600 PolarHBondContact O-N 3.37Å; K597-K600 PolarHBondContact O-N 3.29Å; L598-K600 PolarHBondContact O-N 3.22Å; K600-T603 WeakPolarHBondContact CA-OG1 3.42Å; K600-T603 PolarHBondContact O-OG1 2.95Å; K600-L604 PolarHBondContact O-N 3.04Å |
| 601 | T | 76.4 | Confident | 75.2 | Confident | 71 Ų | 71 | 109 Ų | 109 | 44% | 0.436 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -71.9 | -37.1 | 177.2 | 56.7 | 0 | 0 | 0 | 0 | 112.8 | K597 L598 D599 L604 L605 | K597-T601 WeakPolarHBondContact O-CG2 3.34Å; K597-T601 PolarHBondContact O-N 2.95Å; K597-T601 PolarHBondContact O-OG1 2.86Å; L598-T601 WeakPolarHBondContact CA-OG1 3.37Å; L598-T601 PolarHBondContact O-N 2.83Å; L598-T601 VanDerWaalsContact O-N 3.12Å; L598-T601 PolarHBondContact O-OG1 3.15Å; D599-T601 VanDerWaalsContact C-N 3.32Å; D599-T601 PolarHBondContact O-N 3.45Å; T601-L604 PolarHBondContact O-N 3.38Å; T601-L605 PolarHBondContact O-N 2.64Å; T601-L605 VanDerWaalsContact O-N 3.08Å |
| 602 | K | 75.1 | Confident | 74 | Confident | 117 Ų | 117 | 113 Ų | 113 | 51% | 0.509 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.2 | -42.5 | 175.2 | -74.4 | 176.1 | 179 | 171.4 | 0 | 111.9 | L598 D599 L605 R606 | L598-K602 HydrophobicContact CG-CD 4.48Å; L598-K602 WeakPolarHBondContact O-CG 3.47Å; L598-K602 PolarHBondContact O-N 3.01Å; D599-K602 PolarHBondContact O-N 2.93Å; K602-L605 PolarHBondContact O-N 3Å; K602-R606 PolarHBondContact O-N 3.04Å; K602-R606 VanDerWaalsContact O-N 3.17Å |
| 603 | T | 74.5 | Confident | 72.7 | Confident | 82 Ų | 82 | 115.4 Ų | 115.4 | 50% | 0.503 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.9 | -39.8 | 178.3 | 43.6 | 0 | 0 | 0 | 0 | 112.7 | D599 K600 R606 N607 | D599-T603 PolarHBondContact O-N 3.38Å; D599-T603 VanDerWaalsContact O-N 3.07Å; D599-T603 PolarHBondContact O-OG1 3.44Å; K600-T603 WeakPolarHBondContact CA-OG1 3.42Å; K600-T603 PolarHBondContact O-OG1 2.95Å; T603-R606 PolarHBondContact O-N 3.11Å; T603-N607 PolarHBondContact O-N 3.48Å |
| 604 | L | 73.1 | Confident | 71.2 | Confident | 119 Ų | 119 | 119.4 Ų | 119.4 | 62% | 0.623 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.5 | -41.5 | 174.3 | -84.5 | 162.3 | 0 | 0 | 0 | 113.3 | K600 T601 N607 R608 | K600-L604 PolarHBondContact O-N 3.04Å; T601-L604 PolarHBondContact O-N 3.38Å; L604-N607 PolarHBondContact O-N 3.46Å; L604-R608 PolarHBondContact O-N 3.07Å |
| 605 | L | 73.6 | Confident | 69.9 | Low | 108 Ų | 108 | 122.8 Ų | 122.8 | 57% | 0.565 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62 | -45.4 | 177.2 | -84.9 | 163.8 | 0 | 0 | 0 | 111.6 | T601 K602 N607 R608 E609 | T601-L605 PolarHBondContact O-N 2.64Å; T601-L605 VanDerWaalsContact O-N 3.08Å; K602-L605 PolarHBondContact O-N 3Å; L605-N607 VanDerWaalsContact C-N 3.29Å; L605-N607 PolarHBondContact O-N 2.95Å; L605-R608 PolarHBondContact O-N 3.01Å; L605-R608 VanDerWaalsContact O-N 3.08Å; L605-E609 PolarHBondContact O-N 2.76Å |
| 606 | R | 71 | Confident | 68.5 | Low | 191 Ų | 191 | 123.4 Ų | 123.4 | 72% | 0.721 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -61.2 | -37.1 | 179.1 | -165.1 | 166.3 | -172.3 | 159.7 | 2 | 112.6 | K602 T603 T610 | K602-R606 PolarHBondContact O-N 3.04Å; K602-R606 VanDerWaalsContact O-N 3.17Å; T603-R606 PolarHBondContact O-N 3.11Å; R606-T610 PolarHBondContact O-N 2.97Å |
| 607 | N | 72.6 | Confident | 66.7 | Low | 106 Ų | 106 | 124.5 Ų | 124.5 | 57% | 0.567 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -66.4 | -40.2 | 175.1 | -69.3 | -12.7 | 0 | 0 | 0 | 111.7 | T603 L604 L605 T610 E611 | T603-N607 PolarHBondContact O-N 3.48Å; L604-N607 PolarHBondContact O-N 3.46Å; L605-N607 VanDerWaalsContact C-N 3.29Å; L605-N607 PolarHBondContact O-N 2.95Å; N607-T610 PolarHBondContact O-N 3.17Å; N607-T610 PolarHBondContact O-OG1 3.37Å; N607-E611 PolarHBondContact O-N 3.05Å |
| 608 | R | 73.4 | Confident | 64.8 | Low | 139 Ų | 139 | 125.3 Ų | 125.3 | 53% | 0.525 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -69.4 | -35.7 | -178.5 | -160.2 | 127.7 | 77.4 | 88.2 | 0.8 | 112.9 | L604 L605 T610 E611 Y612 | L604-R608 PolarHBondContact O-N 3.07Å; L605-R608 PolarHBondContact O-N 3.01Å; L605-R608 VanDerWaalsContact O-N 3.08Å; R608-T610 VanDerWaalsContact C-N 3.3Å; R608-T610 PolarHBondContact O-N 3.46Å; R608-E611 PolarHBondContact O-N 3Å; R608-Y612 HydrophobicContact CG-CD2 4.14Å; R608-Y612 HydrophobicContact CG-CE2 3.99Å; R608-Y612 WeakPolarHBondContact O-CD2 3.4Å; R608-Y612 PolarHBondContact O-N 3.27Å |
| 609 | E | 67.6 | Low | 62.9 | Low | 137 Ų | 137 | 130.7 Ų | 130.7 | 64% | 0.64 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -59.1 | -41.7 | 172.9 | -84.8 | 176.3 | 153.8 | 0 | 0 | 111.8 | L605 E611 Y612 E613 | L605-E609 PolarHBondContact O-N 2.76Å; E609-E611 VanDerWaalsContact C-N 3.28Å; E609-E611 PolarHBondContact O-N 3.4Å; E609-Y612 PolarHBondContact O-N 3.38Å; E609-E613 PolarHBondContact O-N 3.34Å |
| 610 | T | 68.4 | Low | 61 | Low | 70 Ų | 70 | 136.5 Ų | 136.5 | 43% | 0.429 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -69.2 | -21.5 | 178.7 | 65 | 0 | 0 | 0 | 0 | 114.4 | R606 N607 R608 | R606-T610 PolarHBondContact O-N 2.97Å; N607-T610 PolarHBondContact O-N 3.17Å; N607-T610 PolarHBondContact O-OG1 3.37Å; R608-T610 VanDerWaalsContact C-N 3.3Å; R608-T610 PolarHBondContact O-N 3.46Å |
| 611 | E | 64.8 | Low | 59.2 | Low | 128 Ų | 128 | 139.9 Ų | 139.9 | 60% | 0.598 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -77.7 | -41.8 | 172.8 | -75.3 | -170.3 | 151.5 | 0 | 0 | 111.6 | N607 R608 E609 E613 K614 E615 | N607-E611 PolarHBondContact O-N 3.05Å; R608-E611 PolarHBondContact O-N 3Å; E609-E611 VanDerWaalsContact C-N 3.28Å; E609-E611 PolarHBondContact O-N 3.4Å; E611-E613 VanDerWaalsContact C-N 3.33Å; E611-E613 PolarHBondContact O-N 2.89Å; E611-K614 WeakPolarHBondContact O-CB 3.46Å; E611-K614 PolarHBondContact O-N 3.43Å; E611-K614 VanDerWaalsContact O-N 3.09Å; E611-E615 PolarHBondContact O-N 3.26Å |
| 612 | Y | 54.9 | Low | 57.7 | Low | 141 Ų | 141 | 142.4 Ų | 142.4 | 55% | 0.553 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -63.9 | -35.9 | 178.9 | -88.6 | -68.1 | 0 | 0 | 0 | 113 | R608 E609 K614 E615 L616 | R608-Y612 HydrophobicContact CG-CD2 4.14Å; R608-Y612 HydrophobicContact CG-CE2 3.99Å; R608-Y612 WeakPolarHBondContact O-CD2 3.4Å; R608-Y612 PolarHBondContact O-N 3.27Å; E609-Y612 PolarHBondContact O-N 3.38Å; Y612-K614 PolarHBondContact O-N 3.5Å; Y612-E615 PolarHBondContact O-N 3.33Å; Y612-L616 PolarHBondContact O-N 3.13Å |
| 613 | E | 53.8 | Low | 56.3 | Low | 155 Ų | 155 | 144.8 Ų | 144.8 | 72% | 0.724 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -61.7 | -29 | 174.3 | -78.1 | -174.2 | 155.1 | 0 | 0 | 112.8 | E609 E611 | E609-E613 PolarHBondContact O-N 3.34Å; E611-E613 VanDerWaalsContact C-N 3.33Å; E611-E613 PolarHBondContact O-N 2.89Å |
| 614 | K | 52 | Low | 54.8 | Low | 167 Ų | 167 | 143.5 Ų | 143.5 | 73% | 0.726 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -77.7 | -32.2 | 178.7 | -68.8 | 176.6 | -176.7 | 171.6 | 0 | 112.9 | E611 Y612 | E611-K614 WeakPolarHBondContact O-CB 3.46Å; E611-K614 PolarHBondContact O-N 3.43Å; E611-K614 VanDerWaalsContact O-N 3.09Å; Y612-K614 PolarHBondContact O-N 3.5Å |
| 615 | E | 51.4 | Low | 53.9 | Low | 128 Ų | 128 | 143 Ų | 143 | 60% | 0.598 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -78.6 | -25.3 | -177.6 | -71.4 | -168.1 | 151.9 | 0 | 0 | 113.6 | E611 Y612 N617 | E611-E615 PolarHBondContact O-N 3.26Å; Y612-E615 PolarHBondContact O-N 3.33Å; E615-N617 VanDerWaalsContact C-N 3.3Å; E615-N617 PolarHBondContact O-N 2.89Å |
| 616 | L | 47.6 | Very low | 53.1 | Low | 150 Ų | 150 | 145.6 Ų | 145.6 | 79% | 0.785 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -72.7 | -21.1 | -172.9 | -155.4 | 71.3 | 0 | 0 | 0 | 113.3 | Y612 N618 | Y612-L616 PolarHBondContact O-N 3.13Å; L616-N618 PolarHBondContact O-N 3.47Å; L616-N618 VanDerWaalsContact O-N 3.11Å |
| 617 | N | 40.8 | Very low | 52.3 | Low | 145 Ų | 145 | 139.2 Ų | 139.2 | 78% | 0.775 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -80.7 | 14.2 | -171.4 | -153.8 | 35.9 | 0 | 0 | 0 | 115.5 | E615 | E615-N617 VanDerWaalsContact C-N 3.3Å; E615-N617 PolarHBondContact O-N 2.89Å |
| 618 | N | 38 | Very low | 51.7 | Low | 149 Ų | 149 | 137.7 Ų | 137.7 | 80% | 0.797 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -137.2 | 23.9 | -170.2 | -115.9 | 4.5 | 0 | 0 | 0 | 117 | L616 | L616-N618 PolarHBondContact O-N 3.47Å; L616-N618 VanDerWaalsContact O-N 3.11Å |
| 619 | R | 37.3 | Very low | 51.4 | Low | 202 Ų | 202 | 139.4 Ų | 139.4 | 76% | 0.762 | 67% | 0.673 | S | S | * | * | trans | -120.8 | 117.3 | -173.7 | -66.3 | -169.6 | -179.1 | -129.2 | 3.3 | 116.5 | ||||
| 620 | Y | 35.3 | Very low | 51.5 | Low | 220 Ų | 220 | 139.3 Ų | 139.3 | 86% | 0.863 | 67% | 0.671 | S | S | * | * | trans | 46.3 | 138.3 | 137.9 | -67 | -86.9 | 0 | 0 | 0 | 123.7 | ||||
| 621 | K | 42.5 | Very low | 51.5 | Low | 212 Ų | 212 | 139.2 Ų | 139.2 | 92% | 0.922 | 67% | 0.668 | S | S | * | * | trans | -85.3 | 156.2 | -178.2 | -70 | 178.4 | 173.8 | -179.8 | 0 | 113.7 | ||||
| 622 | L | 44.7 | Very low | 52 | Low | 125 Ų | 125 | 136.2 Ų | 136.2 | 65% | 0.654 | 66% | 0.66 | S | S | * | * | trans | -111.5 | -2 | -140.2 | -160.7 | 67.9 | 0 | 0 | 0 | 119.3 | L627 | L622-L627 HydrophobicContact CD1-CD2 3.99Å; L622-L627 HydrophobicContact CG-CD2 4.44Å; L622-L627 WeakPolarHBondContact O-CD2 3.15Å | ||
| 623 | D | 44.5 | Very low | 53.2 | Low | 166 Ų | 166 | 132.4 Ų | 132.4 | 89% | 0.888 | 66% | 0.658 | S | S | * | * | trans | -116 | 75.6 | -168.4 | -67.9 | -33.6 | 0 | 0 | 0 | 115.7 | ||||
| 624 | S | 43.4 | Very low | 54.4 | Low | 55 Ų | 55 | 129.8 Ų | 129.8 | 39% | 0.385 | 64% | 0.644 | S | S | . | * | trans | -125.9 | 139.9 | 167.7 | 175.2 | 0 | 0 | 0 | 0 | 111.6 | E626 L627 S628 | S624-E626 VanDerWaalsContact C-N 3.26Å; S624-E626 PolarHBondContact O-N 2.96Å; S624-L627 WeakPolarHBondContact O-CA 3.36Å; S624-L627 WeakPolarHBondContact O-CB 3.44Å; S624-L627 PolarHBondContact O-N 3.39Å; S624-S628 PolarHBondContact O-N 3.45Å | ||
| 625 | P | 54.1 | Low | 55.9 | Low | 110 Ų | 110 | 125.3 Ų | 125.3 | 71% | 0.714 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -65.7 | -24.4 | -179 | 24.5 | -33.1 | 0 | 0 | 0 | 114 | L627 S628 K629 | P625-L627 VanDerWaalsContact C-N 3.25Å; P625-L627 PolarHBondContact O-N 3.14Å; P625-S628 PolarHBondContact O-N 2.94Å; P625-K629 PolarHBondContact O-N 3.3Å |
| 626 | E | 56.2 | Low | 57.4 | Low | 161 Ų | 161 | 123.7 Ų | 123.7 | 75% | 0.752 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -64.4 | -35.2 | 168.6 | -68.8 | 173.6 | 167 | 0 | 0 | 111 | S624 S628 K629 F630 | S624-E626 VanDerWaalsContact C-N 3.26Å; S624-E626 PolarHBondContact O-N 2.96Å; E626-S628 VanDerWaalsContact C-N 3.34Å; E626-K629 PolarHBondContact O-N 3.03Å; E626-F630 WeakPolarHBondContact O-CB 3.39Å; E626-F630 PolarHBondContact O-N 2.8Å |
| 627 | L | 54.5 | Low | 59.2 | Low | 58 Ų | 58 | 121.3 Ų | 121.3 | 30% | 0.304 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -66.6 | -35.1 | 172.9 | -161.9 | 74.1 | 0 | 0 | 0 | 110.9 | L622 S624 P625 K629 F630 I631 | L622-L627 HydrophobicContact CD1-CD2 3.99Å; L622-L627 HydrophobicContact CG-CD2 4.44Å; L622-L627 WeakPolarHBondContact O-CD2 3.15Å; S624-L627 WeakPolarHBondContact O-CA 3.36Å; S624-L627 WeakPolarHBondContact O-CB 3.44Å; S624-L627 PolarHBondContact O-N 3.39Å; P625-L627 VanDerWaalsContact C-N 3.25Å; P625-L627 PolarHBondContact O-N 3.14Å; L627-K629 PolarHBondContact O-N 3.41Å; L627-F630 CarbonylContact O-C 3.56Å; L627-F630 PolarHBondContact O-N 3.49Å; L627-I631 HydrophobicContact CB-CD1 4.42Å; L627-I631 HydrophobicContact CD2-CD1 3.83Å; L627-I631 HydrophobicContact CG-CD1 3.65Å; L627-I631 HydrophobicContact CG-CG1 4.02Å; L627-I631 WeakPolarHBondContact O-CA 3.36Å; L627-I631 WeakPolarHBondContact O-CB 3.06Å; L627-I631 WeakPolarHBondContact O-CD1 3.5Å; L627-I631 WeakPolarHBondContact O-CG1 3.45Å; L627-I631 PolarHBondContact O-N 3.2Å |
| 628 | S | 60.3 | Low | 61.3 | Low | 73 Ų | 73 | 117.6 Ų | 117.6 | 51% | 0.51 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67.6 | -36.6 | 179.8 | -151.2 | 0 | 0 | 0 | 0 | 112.8 | S624 P625 E626 S632 | S624-S628 PolarHBondContact O-N 3.45Å; P625-S628 PolarHBondContact O-N 2.94Å; E626-S628 VanDerWaalsContact C-N 3.34Å; S628-S632 PolarHBondContact O-N 3.45Å; S628-S632 PolarHBondContact O-OG 3.47Å |
| 629 | K | 67.4 | Low | 63.6 | Low | 175 Ų | 175 | 118.5 Ų | 118.5 | 76% | 0.761 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -71.4 | -40.6 | 173.3 | -133.4 | 179.5 | -172 | 179.1 | 0 | 111.7 | P625 E626 L627 S632 A633 | P625-K629 PolarHBondContact O-N 3.3Å; E626-K629 PolarHBondContact O-N 3.03Å; L627-K629 PolarHBondContact O-N 3.41Å; K629-S632 PolarHBondContact O-N 2.88Å; K629-A633 WeakPolarHBondContact O-CB 3.36Å; K629-A633 PolarHBondContact O-N 3.45Å |
| 630 | F | 69.3 | Low | 66 | Low | 135 Ų | 135 | 111.8 Ų | 111.8 | 59% | 0.592 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.3 | -40.3 | 173.3 | -170.5 | -94.8 | 0 | 0 | 0 | 111.7 | E626 L627 A633 K634 | E626-F630 WeakPolarHBondContact O-CB 3.39Å; E626-F630 PolarHBondContact O-N 2.8Å; L627-F630 CarbonylContact O-C 3.56Å; L627-F630 PolarHBondContact O-N 3.49Å; F630-A633 PolarHBondContact O-N 3.3Å; F630-K634 WeakPolarHBondContact O-CB 3.44Å; F630-K634 PolarHBondContact O-N 2.82Å |
| 631 | I | 68.2 | Low | 68.5 | Low | 69 Ų | 69 | 106.1 Ų | 106.1 | 35% | 0.354 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.7 | -45.7 | 174.9 | -76 | 163.7 | 0 | 0 | 0 | 109.2 | L627 K634 I635 | L627-I631 HydrophobicContact CB-CD1 4.42Å; L627-I631 HydrophobicContact CD2-CD1 3.83Å; L627-I631 HydrophobicContact CG-CD1 3.65Å; L627-I631 HydrophobicContact CG-CG1 4.02Å; L627-I631 WeakPolarHBondContact O-CA 3.36Å; L627-I631 WeakPolarHBondContact O-CB 3.06Å; L627-I631 WeakPolarHBondContact O-CD1 3.5Å; L627-I631 WeakPolarHBondContact O-CG1 3.45Å; L627-I631 PolarHBondContact O-N 3.2Å; I631-K634 CarbonylContact O-C 3.59Å; I631-K634 PolarHBondContact O-N 2.88Å; I631-I635 HydrophobicContact CG2-CD1 3.51Å; I631-I635 HydrophobicContact CG2-CG1 4.11Å; I631-I635 VanDerWaalsContact O-CB 3.31Å; I631-I635 WeakPolarHBondContact O-CB 3.26Å; I631-I635 WeakPolarHBondContact O-CG1 3.36Å; I631-I635 PolarHBondContact O-N 3.01Å |
| 632 | S | 75.9 | Confident | 70.6 | Confident | 64 Ų | 64 | 102.5 Ų | 102.5 | 45% | 0.448 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.3 | -48.6 | 177 | -68.6 | 0 | 0 | 0 | 0 | 112.1 | S628 K629 K634 I635 D636 | S628-S632 PolarHBondContact O-N 3.45Å; S628-S632 PolarHBondContact O-OG 3.47Å; K629-S632 PolarHBondContact O-N 2.88Å; S632-K634 PolarHBondContact O-N 3.07Å; S632-I635 PolarHBondContact O-N 3Å; S632-I635 VanDerWaalsContact O-N 3.16Å; S632-D636 PolarHBondContact O-N 3.4Å |
| 633 | A | 79.3 | Confident | 72.7 | Confident | 62 Ų | 62 | 101.3 Ų | 101.3 | 51% | 0.512 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.1 | -35.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | K629 F630 L637 | K629-A633 WeakPolarHBondContact O-CB 3.36Å; K629-A633 PolarHBondContact O-N 3.45Å; F630-A633 PolarHBondContact O-N 3.3Å; A633-L637 WeakPolarHBondContact O-CB 3.27Å; A633-L637 PolarHBondContact O-N 3.02Å |
| 634 | K | 80.3 | Confident | 74.8 | Confident | 99 Ų | 99 | 100.5 Ų | 100.5 | 43% | 0.43 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -72.1 | -39.3 | 176.2 | -166.5 | 68.1 | -170.6 | 171.1 | 0 | 111.4 | F630 I631 S632 D636 L637 E638 | F630-K634 WeakPolarHBondContact O-CB 3.44Å; F630-K634 PolarHBondContact O-N 2.82Å; I631-K634 CarbonylContact O-C 3.59Å; I631-K634 PolarHBondContact O-N 2.88Å; S632-K634 PolarHBondContact O-N 3.07Å; K634-D636 VanDerWaalsContact C-N 3.34Å; K634-L637 HydrophobicContact CD-CD2 4.2Å; K634-L637 PolarHBondContact O-N 2.77Å; K634-E638 IonicContact NZ-OE2 3.41Å; K634-E638 VanDerWaalsContact O-CB 3.26Å; K634-E638 WeakPolarHBondContact O-CB 3.29Å; K634-E638 PolarHBondContact O-N 3.4Å |
| 635 | I | 82 | Confident | 77.1 | Confident | 73 Ų | 73 | 100.7 Ų | 100.7 | 37% | 0.374 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 173.4 | -75.6 | 167.3 | 0 | 0 | 0 | 110.2 | I631 S632 E638 R639 | I631-I635 HydrophobicContact CG2-CD1 3.51Å; I631-I635 HydrophobicContact CG2-CG1 4.11Å; I631-I635 VanDerWaalsContact O-CB 3.31Å; I631-I635 WeakPolarHBondContact O-CB 3.26Å; I631-I635 WeakPolarHBondContact O-CG1 3.36Å; I631-I635 PolarHBondContact O-N 3.01Å; S632-I635 PolarHBondContact O-N 3Å; S632-I635 VanDerWaalsContact O-N 3.16Å; I635-E638 PolarHBondContact O-N 3.41Å; I635-R639 HydrophobicContact CG2-CG 4.34Å; I635-R639 VanDerWaalsContact O-CB 3.32Å; I635-R639 WeakPolarHBondContact O-CB 3.35Å; I635-R639 VanDerWaalsContact O-CG 3.26Å; I635-R639 WeakPolarHBondContact O-CG 3.32Å; I635-R639 PolarHBondContact O-N 2.91Å |
| 636 | D | 84.3 | Confident | 78.7 | Confident | 94 Ų | 94 | 99.1 Ų | 99.1 | 50% | 0.503 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.2 | -41 | 179.4 | -69.8 | -24.7 | 0 | 0 | 0 | 111.6 | S632 K634 E638 R639 A640 | S632-D636 PolarHBondContact O-N 3.4Å; K634-D636 VanDerWaalsContact C-N 3.34Å; D636-E638 VanDerWaalsContact C-N 3.32Å; D636-E638 PolarHBondContact O-N 3.14Å; D636-R639 PolarHBondContact O-N 2.93Å; D636-R639 IonicContact OD1-NH1 3.57Å; D636-A640 WeakPolarHBondContact O-CB 3.49Å; D636-A640 PolarHBondContact O-N 2.89Å |
| 637 | L | 85.1 | Confident | 80.4 | Confident | 101 Ų | 101 | 95.1 Ų | 95.1 | 53% | 0.529 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.1 | -43.9 | 171.3 | -170.5 | 86.1 | 0 | 0 | 0 | 111.1 | A633 K634 A640 H641 | A633-L637 WeakPolarHBondContact O-CB 3.27Å; A633-L637 PolarHBondContact O-N 3.02Å; K634-L637 HydrophobicContact CD-CD2 4.2Å; K634-L637 PolarHBondContact O-N 2.77Å; L637-A640 PolarHBondContact O-N 2.84Å; L637-H641 WeakPolarHBondContact O-CB 3.48Å; L637-H641 PolarHBondContact O-N 3.35Å |
| 638 | E | 84 | Confident | 82.2 | Confident | 67 Ų | 67 | 96 Ų | 96 | 31% | 0.313 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.6 | -40.3 | -179.6 | -145.5 | 70.4 | -163.8 | 0 | 0 | 111.1 | K634 I635 D636 A640 H641 Y642 | K634-E638 IonicContact NZ-OE2 3.41Å; K634-E638 VanDerWaalsContact O-CB 3.26Å; K634-E638 WeakPolarHBondContact O-CB 3.29Å; K634-E638 PolarHBondContact O-N 3.4Å; I635-E638 PolarHBondContact O-N 3.41Å; D636-E638 VanDerWaalsContact C-N 3.32Å; D636-E638 PolarHBondContact O-N 3.14Å; E638-A640 VanDerWaalsContact C-N 3.34Å; E638-A640 PolarHBondContact O-N 3.01Å; E638-H641 WeakPolarHBondContact O-CB 3.41Å; E638-H641 PolarHBondContact O-N 3.08Å; E638-Y642 HydrophobicContact CB-CD2 4.41Å; E638-Y642 HydrophobicContact CB-CE2 4.16Å; E638-Y642 HydrophobicContact CG-CD2 3.99Å; E638-Y642 HydrophobicContact CG-CE2 3.38Å; E638-Y642 WeakPolarHBondContact O-CB 3.32Å; E638-Y642 WeakPolarHBondContact O-CD2 3.49Å; E638-Y642 PolarHBondContact O-N 2.8Å |
| 639 | R | 87.8 | Confident | 83.7 | Confident | 167 Ų | 167 | 98 Ų | 98 | 63% | 0.63 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61 | -43 | 172.2 | -79.5 | 173.7 | 175.6 | 174.1 | -2.4 | 111.4 | I635 D636 H641 Y642 Q643 | I635-R639 HydrophobicContact CG2-CG 4.34Å; I635-R639 VanDerWaalsContact O-CB 3.32Å; I635-R639 WeakPolarHBondContact O-CB 3.35Å; I635-R639 VanDerWaalsContact O-CG 3.26Å; I635-R639 WeakPolarHBondContact O-CG 3.32Å; I635-R639 PolarHBondContact O-N 2.91Å; D636-R639 PolarHBondContact O-N 2.93Å; D636-R639 IonicContact OD1-NH1 3.57Å; R639-H641 VanDerWaalsContact C-N 3.3Å; R639-H641 PolarHBondContact O-N 2.9Å; R639-Y642 PolarHBondContact O-N 2.85Å; R639-Q643 VanDerWaalsContact O-CB 3.32Å; R639-Q643 WeakPolarHBondContact O-CB 3.27Å; R639-Q643 PolarHBondContact O-N 2.56Å |
| 640 | A | 86.7 | Confident | 84.9 | Confident | 61 Ų | 61 | 94.8 Ų | 94.8 | 50% | 0.504 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.2 | -37.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | D636 L637 E638 K644 | D636-A640 WeakPolarHBondContact O-CB 3.49Å; D636-A640 PolarHBondContact O-N 2.89Å; L637-A640 PolarHBondContact O-N 2.84Å; E638-A640 VanDerWaalsContact C-N 3.34Å; E638-A640 PolarHBondContact O-N 3.01Å; A640-K644 WeakPolarHBondContact O-CB 3.43Å; A640-K644 PolarHBondContact O-N 3.43Å |
| 641 | H | 87.5 | Confident | 86 | Confident | 102 Ų | 102 | 94 Ų | 94 | 47% | 0.472 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.6 | -50.7 | 174.9 | -153.8 | -68.3 | 0 | 0 | 0 | 111.4 | L637 E638 R639 Q643 K644 D645 | L637-H641 WeakPolarHBondContact O-CB 3.48Å; L637-H641 PolarHBondContact O-N 3.35Å; E638-H641 WeakPolarHBondContact O-CB 3.41Å; E638-H641 PolarHBondContact O-N 3.08Å; R639-H641 VanDerWaalsContact C-N 3.3Å; R639-H641 PolarHBondContact O-N 2.9Å; H641-Q643 VanDerWaalsContact C-N 3.3Å; H641-Q643 PolarHBondContact O-N 3.24Å; H641-K644 WeakPolarHBondContact O-CB 3.47Å; H641-K644 PolarHBondContact O-N 3.41Å; H641-K644 VanDerWaalsContact O-N 3.13Å; H641-D645 IonicContact CE1-OD1 2.92Å; H641-D645 IonicContact CE1-OD2 3.48Å; H641-D645 PolarHBondContact CE1-OD2 3.44Å; H641-D645 IonicContact ND1-OD1 2.66Å; H641-D645 IonicContact ND1-OD2 2.65Å; H641-D645 PolarHBondContact ND1-OD2 3.19Å; H641-D645 VanDerWaalsContact O-CG 3.28Å; H641-D645 PolarHBondContact O-N 3.15Å |
| 642 | Y | 86.3 | Confident | 87.2 | Confident | 136 Ų | 136 | 96.6 Ų | 96.6 | 53% | 0.533 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.5 | -38.8 | 176.7 | -71.3 | -51.5 | 0 | 0 | 0 | 112.2 | E638 R639 D645 I646 | E638-Y642 HydrophobicContact CB-CD2 4.41Å; E638-Y642 HydrophobicContact CB-CE2 4.16Å; E638-Y642 HydrophobicContact CG-CD2 3.99Å; E638-Y642 HydrophobicContact CG-CE2 3.38Å; E638-Y642 WeakPolarHBondContact O-CB 3.32Å; E638-Y642 WeakPolarHBondContact O-CD2 3.49Å; E638-Y642 PolarHBondContact O-N 2.8Å; R639-Y642 PolarHBondContact O-N 2.85Å; Y642-D645 PolarHBondContact O-N 3.43Å; Y642-I646 WeakPolarHBondContact O-CB 3.27Å; Y642-I646 WeakPolarHBondContact O-CG1 3.25Å; Y642-I646 PolarHBondContact O-N 2.88Å |
| 643 | Q | 90 | Very high | 88 | Confident | 99 Ų | 99 | 98.9 Ų | 98.9 | 46% | 0.463 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.3 | -45 | 175.1 | -173.7 | 60.3 | 49.2 | 0 | 0 | 111 | R639 H641 D645 I646 D647 | R639-Q643 VanDerWaalsContact O-CB 3.32Å; R639-Q643 WeakPolarHBondContact O-CB 3.27Å; R639-Q643 PolarHBondContact O-N 2.56Å; H641-Q643 VanDerWaalsContact C-N 3.3Å; H641-Q643 PolarHBondContact O-N 3.24Å; Q643-D645 VanDerWaalsContact C-N 3.3Å; Q643-D645 PolarHBondContact O-N 2.83Å; Q643-I646 WeakPolarHBondContact O-CB 3.41Å; Q643-I646 PolarHBondContact O-N 2.89Å; Q643-D647 PolarHBondContact NE2-OD1 3.34Å; Q643-D647 PolarHBondContact O-N 3.49Å |
| 644 | K | 88.8 | Confident | 88.7 | Confident | 150 Ų | 150 | 100.6 Ų | 100.6 | 65% | 0.652 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62 | -38.7 | 175.8 | -170.8 | 179.5 | -179.2 | 179.7 | 0 | 112.1 | A640 H641 D647 L648 | A640-K644 WeakPolarHBondContact O-CB 3.43Å; A640-K644 PolarHBondContact O-N 3.43Å; H641-K644 WeakPolarHBondContact O-CB 3.47Å; H641-K644 PolarHBondContact O-N 3.41Å; H641-K644 VanDerWaalsContact O-N 3.13Å; K644-D647 PolarHBondContact O-N 3.4Å; K644-L648 WeakPolarHBondContact O-CB 3.38Å; K644-L648 PolarHBondContact O-N 2.81Å |
| 645 | D | 90.3 | Very high | 89.2 | Confident | 58 Ų | 58 | 100.1 Ų | 100.1 | 31% | 0.31 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.1 | -39.1 | 176.2 | -67.6 | -30.3 | 0 | 0 | 0 | 111.5 | H641 Y642 Q643 L648 L649 | H641-D645 IonicContact CE1-OD1 2.92Å; H641-D645 IonicContact CE1-OD2 3.48Å; H641-D645 PolarHBondContact CE1-OD2 3.44Å; H641-D645 IonicContact ND1-OD1 2.66Å; H641-D645 IonicContact ND1-OD2 2.65Å; H641-D645 PolarHBondContact ND1-OD2 3.19Å; H641-D645 VanDerWaalsContact O-CG 3.28Å; H641-D645 PolarHBondContact O-N 3.15Å; Y642-D645 PolarHBondContact O-N 3.43Å; Q643-D645 VanDerWaalsContact C-N 3.3Å; Q643-D645 PolarHBondContact O-N 2.83Å; D645-L648 PolarHBondContact O-N 2.96Å; D645-L649 WeakPolarHBondContact O-CB 3.17Å; D645-L649 VanDerWaalsContact O-CG 3.23Å; D645-L649 WeakPolarHBondContact O-CG 3.23Å; D645-L649 PolarHBondContact O-N 2.64Å |
| 646 | I | 89.4 | Confident | 89.7 | Confident | 77 Ų | 77 | 98.8 Ų | 98.8 | 40% | 0.395 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.6 | -47.9 | 172.9 | -72.8 | 164.7 | 0 | 0 | 0 | 110.4 | Y642 Q643 L648 L649 Q650 | Y642-I646 WeakPolarHBondContact O-CB 3.27Å; Y642-I646 WeakPolarHBondContact O-CG1 3.25Å; Y642-I646 PolarHBondContact O-N 2.88Å; Q643-I646 WeakPolarHBondContact O-CB 3.41Å; Q643-I646 PolarHBondContact O-N 2.89Å; I646-L648 VanDerWaalsContact C-N 3.33Å; I646-L648 PolarHBondContact O-N 3.28Å; I646-L649 PolarHBondContact O-N 2.74Å; I646-Q650 HydrophobicContact CG2-CG 4.43Å; I646-Q650 WeakPolarHBondContact O-CG 3.21Å; I646-Q650 PolarHBondContact O-N 3.19Å |
| 647 | D | 91.8 | Very high | 90.1 | Very high | 78 Ų | 78 | 97.8 Ų | 97.8 | 42% | 0.417 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.8 | -43 | 179.8 | -62.8 | -17.9 | 0 | 0 | 0 | 110.7 | Q643 K644 Q650 E651 | Q643-D647 PolarHBondContact NE2-OD1 3.34Å; Q643-D647 PolarHBondContact O-N 3.49Å; K644-D647 PolarHBondContact O-N 3.4Å; D647-Q650 PolarHBondContact O-N 3.17Å; D647-E651 PolarHBondContact O-N 2.97Å |
| 648 | L | 91.4 | Very high | 90.5 | Very high | 76 Ų | 76 | 99.6 Ų | 99.6 | 40% | 0.398 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.4 | -39.8 | 175.6 | -175.6 | 70 | 0 | 0 | 0 | 112.3 | K644 D645 I646 E651 K652 | K644-L648 WeakPolarHBondContact O-CB 3.38Å; K644-L648 PolarHBondContact O-N 2.81Å; D645-L648 PolarHBondContact O-N 2.96Å; I646-L648 VanDerWaalsContact C-N 3.33Å; I646-L648 PolarHBondContact O-N 3.28Å; L648-E651 PolarHBondContact O-N 2.91Å; L648-K652 WeakPolarHBondContact O-CB 3.34Å; L648-K652 WeakPolarHBondContact O-CG 3.09Å; L648-K652 PolarHBondContact O-N 3.15Å |
| 649 | L | 91.6 | Very high | 90.8 | Very high | 114 Ų | 114 | 103.8 Ų | 103.8 | 60% | 0.597 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -67.7 | -37.5 | 175.9 | -75.7 | 171 | 0 | 0 | 0 | 111.6 | D645 I646 K652 L653 | D645-L649 WeakPolarHBondContact O-CB 3.17Å; D645-L649 VanDerWaalsContact O-CG 3.23Å; D645-L649 WeakPolarHBondContact O-CG 3.23Å; D645-L649 PolarHBondContact O-N 2.64Å; I646-L649 PolarHBondContact O-N 2.74Å; L649-K652 PolarHBondContact O-N 2.72Å; L649-L653 VanDerWaalsContact O-CB 3.29Å; L649-L653 WeakPolarHBondContact O-CB 3.44Å; L649-L653 PolarHBondContact O-N 2.92Å |
| 650 | Q | 92.5 | Very high | 91 | Very high | 108 Ų | 108 | 103.1 Ų | 103.1 | 51% | 0.505 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.1 | -42.1 | 173.9 | -74.3 | 178.7 | -0.5 | 0 | 0 | 111.6 | I646 D647 L653 I654 | I646-Q650 HydrophobicContact CG2-CG 4.43Å; I646-Q650 WeakPolarHBondContact O-CG 3.21Å; I646-Q650 PolarHBondContact O-N 3.19Å; D647-Q650 PolarHBondContact O-N 3.17Å; Q650-L653 WeakPolarHBondContact O-CB 3.24Å; Q650-L653 PolarHBondContact O-N 3.48Å; Q650-I654 VanDerWaalsContact O-CG1 3.31Å; Q650-I654 WeakPolarHBondContact O-CG1 3.12Å; Q650-I654 PolarHBondContact O-N 2.92Å |
| 651 | E | 92.6 | Very high | 91.3 | Very high | 119 Ų | 119 | 103.3 Ų | 103.3 | 56% | 0.556 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.4 | -47.4 | 174.6 | -173.2 | 178.7 | -163.5 | 0 | 0 | 111.3 | D647 L648 L653 I654 E655 | D647-E651 PolarHBondContact O-N 2.97Å; L648-E651 PolarHBondContact O-N 2.91Å; E651-L653 VanDerWaalsContact C-N 3.29Å; E651-L653 PolarHBondContact O-N 2.78Å; E651-I654 PolarHBondContact O-N 2.96Å; E651-E655 PolarHBondContact O-N 3.06Å |
| 652 | K | 93.3 | Very high | 91.5 | Very high | 123 Ų | 123 | 100.7 Ų | 100.7 | 54% | 0.535 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61 | -37.4 | 174.7 | -75 | 177.6 | 179.7 | 177.8 | 0 | 112.6 | L648 L649 E655 S656 | L648-K652 WeakPolarHBondContact O-CB 3.34Å; L648-K652 WeakPolarHBondContact O-CG 3.09Å; L648-K652 PolarHBondContact O-N 3.15Å; L649-K652 PolarHBondContact O-N 2.72Å; K652-E655 PolarHBondContact O-N 2.93Å; K652-S656 WeakPolarHBondContact O-CB 3.48Å; K652-S656 PolarHBondContact O-N 2.96Å |
| 653 | L | 92.7 | Very high | 91.8 | Very high | 113 Ų | 113 | 97.9 Ų | 97.9 | 59% | 0.592 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -65.5 | -45.4 | 176.2 | -178 | 65.9 | 0 | 0 | 0 | 110.9 | L649 Q650 E651 E655 S656 T657 | L649-L653 VanDerWaalsContact O-CB 3.29Å; L649-L653 WeakPolarHBondContact O-CB 3.44Å; L649-L653 PolarHBondContact O-N 2.92Å; Q650-L653 WeakPolarHBondContact O-CB 3.24Å; Q650-L653 PolarHBondContact O-N 3.48Å; E651-L653 VanDerWaalsContact C-N 3.29Å; E651-L653 PolarHBondContact O-N 2.78Å; L653-E655 VanDerWaalsContact C-N 3.35Å; L653-E655 PolarHBondContact O-N 3.11Å; L653-S656 PolarHBondContact O-N 2.83Å; L653-T657 WeakPolarHBondContact O-CB 3.1Å; L653-T657 PolarHBondContact O-N 3.13Å; L653-T657 PolarHBondContact O-OG1 2.77Å |
| 654 | I | 93.5 | Very high | 91.9 | Very high | 97 Ų | 97 | 98 Ų | 98 | 50% | 0.497 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.3 | -46 | 175.2 | -70.8 | 162.4 | 0 | 0 | 0 | 110.5 | Q650 E651 T657 K658 | Q650-I654 VanDerWaalsContact O-CG1 3.31Å; Q650-I654 WeakPolarHBondContact O-CG1 3.12Å; Q650-I654 PolarHBondContact O-N 2.92Å; E651-I654 PolarHBondContact O-N 2.96Å; I654-T657 PolarHBondContact O-N 3.01Å; I654-K658 HydrophobicContact CG2-CD 4.4Å; I654-K658 WeakPolarHBondContact O-CG 3.32Å; I654-K658 PolarHBondContact O-N 3Å |
| 655 | E | 92.4 | Very high | 92 | Very high | 89 Ų | 89 | 95.6 Ų | 95.6 | 42% | 0.416 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -69.7 | -40.3 | -178.4 | -165.6 | 168.8 | 177 | 0 | 0 | 112.6 | E651 K652 L653 T657 K658 R659 | E651-E655 PolarHBondContact O-N 3.06Å; K652-E655 PolarHBondContact O-N 2.93Å; L653-E655 VanDerWaalsContact C-N 3.35Å; L653-E655 PolarHBondContact O-N 3.11Å; E655-T657 VanDerWaalsContact C-N 3.31Å; E655-T657 PolarHBondContact O-N 3.24Å; E655-K658 PolarHBondContact O-N 2.97Å; E655-R659 WeakPolarHBondContact O-CG 3.15Å; E655-R659 PolarHBondContact O-N 3.42Å; E655-R659 IonicContact OE1-CZ 3.59Å; E655-R659 IonicContact OE1-NE 3.94Å; E655-R659 IonicContact OE1-NH2 3.73Å; E655-R659 PolarHBondContact OE1-NH2 2.92Å; E655-R659 IonicContact OE2-NH2 3.21Å |
| 656 | S | 90.9 | Very high | 92.1 | Very high | 46 Ų | 46 | 98.9 Ų | 98.9 | 32% | 0.322 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -56.4 | -47 | 169.7 | 177.4 | 0 | 0 | 0 | 0 | 111 | K652 L653 K658 R659 Y660 | K652-S656 WeakPolarHBondContact O-CB 3.48Å; K652-S656 PolarHBondContact O-N 2.96Å; L653-S656 PolarHBondContact O-N 2.83Å; S656-K658 VanDerWaalsContact C-N 3.34Å; S656-K658 PolarHBondContact O-N 3.27Å; S656-R659 PolarHBondContact O-N 3Å; S656-R659 VanDerWaalsContact O-N 3.14Å; S656-Y660 VanDerWaalsContact O-CD2 3.28Å; S656-Y660 WeakPolarHBondContact O-CD2 3.24Å; S656-Y660 PolarHBondContact O-N 2.79Å |
| 657 | T | 93.5 | Very high | 92.2 | Very high | 73 Ų | 73 | 101.5 Ų | 101.5 | 45% | 0.448 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 179.3 | -55 | 0 | 0 | 0 | 0 | 111.2 | L653 I654 E655 R659 Y660 T661 | L653-T657 WeakPolarHBondContact O-CB 3.1Å; L653-T657 PolarHBondContact O-N 3.13Å; L653-T657 PolarHBondContact O-OG1 2.77Å; I654-T657 PolarHBondContact O-N 3.01Å; E655-T657 VanDerWaalsContact C-N 3.31Å; E655-T657 PolarHBondContact O-N 3.24Å; T657-R659 PolarHBondContact O-N 2.98Å; T657-Y660 PolarHBondContact O-N 2.95Å; T657-T661 WeakPolarHBondContact O-CG2 3.45Å; T657-T661 PolarHBondContact O-N 3.22Å; T657-T661 PolarHBondContact O-OG1 2.87Å |
| 658 | K | 93.1 | Very high | 92.3 | Very high | 139 Ų | 139 | 105.1 Ų | 105.1 | 60% | 0.604 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.8 | -41.1 | 174 | -73.6 | 176.4 | -179.4 | 177.6 | 0 | 112.9 | I654 E655 S656 T661 A662 | I654-K658 HydrophobicContact CG2-CD 4.4Å; I654-K658 WeakPolarHBondContact O-CG 3.32Å; I654-K658 PolarHBondContact O-N 3Å; E655-K658 PolarHBondContact O-N 2.97Å; S656-K658 VanDerWaalsContact C-N 3.34Å; S656-K658 PolarHBondContact O-N 3.27Å; K658-T661 WeakPolarHBondContact CA-OG1 3.43Å; K658-T661 PolarHBondContact O-N 2.9Å; K658-T661 PolarHBondContact O-OG1 2.81Å; K658-A662 WeakPolarHBondContact O-CB 3.18Å; K658-A662 PolarHBondContact O-N 3.27Å |
| 659 | R | 91.6 | Very high | 92.3 | Very high | 155 Ų | 155 | 106.5 Ų | 106.5 | 59% | 0.585 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.1 | -41.1 | 176.3 | -70.1 | 177.9 | -166.7 | 148.4 | 5.2 | 111.5 | E655 S656 T657 A662 L663 | E655-R659 WeakPolarHBondContact O-CG 3.15Å; E655-R659 PolarHBondContact O-N 3.42Å; E655-R659 IonicContact OE1-CZ 3.59Å; E655-R659 IonicContact OE1-NE 3.94Å; E655-R659 IonicContact OE1-NH2 3.73Å; E655-R659 PolarHBondContact OE1-NH2 2.92Å; E655-R659 IonicContact OE2-NH2 3.21Å; S656-R659 PolarHBondContact O-N 3Å; S656-R659 VanDerWaalsContact O-N 3.14Å; T657-R659 PolarHBondContact O-N 2.98Å; R659-A662 PolarHBondContact O-N 2.95Å; R659-L663 WeakPolarHBondContact O-CB 3.35Å; R659-L663 PolarHBondContact O-N 3.21Å |
| 660 | Y | 91 | Very high | 92.3 | Very high | 153 Ų | 153 | 103.6 Ų | 103.6 | 60% | 0.6 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.2 | -44.8 | 173.6 | -87.5 | -74.6 | 0 | 0 | 0 | 112 | S656 T657 A662 L663 E664 | S656-Y660 VanDerWaalsContact O-CD2 3.28Å; S656-Y660 WeakPolarHBondContact O-CD2 3.24Å; S656-Y660 PolarHBondContact O-N 2.79Å; T657-Y660 PolarHBondContact O-N 2.95Å; Y660-A662 PolarHBondContact O-N 3.13Å; Y660-L663 PolarHBondContact O-N 2.65Å; Y660-E664 WeakPolarHBondContact O-CG 3.32Å; Y660-E664 PolarHBondContact O-N 2.88Å |
| 661 | T | 93.2 | Very high | 92.3 | Very high | 65 Ų | 65 | 104.3 Ų | 104.3 | 40% | 0.399 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.6 | -39.5 | 177.4 | 51.3 | 0 | 0 | 0 | 0 | 112.5 | T657 K658 L663 E664 D665 | T657-T661 WeakPolarHBondContact O-CG2 3.45Å; T657-T661 PolarHBondContact O-N 3.22Å; T657-T661 PolarHBondContact O-OG1 2.87Å; K658-T661 WeakPolarHBondContact CA-OG1 3.43Å; K658-T661 PolarHBondContact O-N 2.9Å; K658-T661 PolarHBondContact O-OG1 2.81Å; T661-L663 VanDerWaalsContact C-N 3.33Å; T661-L663 PolarHBondContact O-N 3.07Å; T661-E664 PolarHBondContact O-N 3.46Å; T661-D665 PolarHBondContact O-N 2.8Å |
| 662 | A | 92.1 | Very high | 92.3 | Very high | 47 Ų | 47 | 106 Ų | 106 | 39% | 0.388 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | K658 R659 Y660 D665 E666 | K658-A662 WeakPolarHBondContact O-CB 3.18Å; K658-A662 PolarHBondContact O-N 3.27Å; R659-A662 PolarHBondContact O-N 2.95Å; Y660-A662 PolarHBondContact O-N 3.13Å; A662-D665 PolarHBondContact O-N 3.22Å; A662-E666 WeakPolarHBondContact O-CG 3.37Å; A662-E666 PolarHBondContact O-N 3.24Å |
| 663 | L | 91.5 | Very high | 92.2 | Very high | 77 Ų | 77 | 103.6 Ų | 103.6 | 40% | 0.403 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.6 | -40.9 | 175.6 | -173.2 | 67.1 | 0 | 0 | 0 | 111.8 | R659 Y660 T661 D665 E666 F667 | R659-L663 WeakPolarHBondContact O-CB 3.35Å; R659-L663 PolarHBondContact O-N 3.21Å; Y660-L663 PolarHBondContact O-N 2.65Å; T661-L663 VanDerWaalsContact C-N 3.33Å; T661-L663 PolarHBondContact O-N 3.07Å; L663-D665 VanDerWaalsContact C-N 3.31Å; L663-D665 PolarHBondContact O-N 3.47Å; L663-E666 WeakPolarHBondContact O-CB 3.42Å; L663-E666 PolarHBondContact O-N 2.96Å; L663-F667 HydrophobicContact CD1-CD2 4.26Å; L663-F667 HydrophobicContact CD1-CE2 3.87Å; L663-F667 HydrophobicContact CD2-CE2 4.09Å; L663-F667 HydrophobicContact CG-CD2 3.9Å; L663-F667 HydrophobicContact CG-CE2 3.68Å; L663-F667 WeakPolarHBondContact O-CD2 3.4Å; L663-F667 PolarHBondContact O-N 3.19Å |
| 664 | E | 92.3 | Very high | 92 | Very high | 100 Ų | 100 | 103.4 Ų | 103.4 | 47% | 0.467 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.2 | -41.1 | 173 | -76 | -176.8 | -175.3 | 0 | 0 | 112.1 | Y660 T661 F667 R668 | Y660-E664 WeakPolarHBondContact O-CG 3.32Å; Y660-E664 PolarHBondContact O-N 2.88Å; T661-E664 PolarHBondContact O-N 3.46Å; E664-F667 PolarHBondContact O-N 3.01Å; E664-R668 WeakPolarHBondContact O-CB 3.28Å; E664-R668 WeakPolarHBondContact O-CG 3.42Å; E664-R668 PolarHBondContact O-N 3.49Å |
| 665 | D | 91.7 | Very high | 92 | Very high | 100 Ų | 100 | 101.7 Ų | 101.7 | 54% | 0.535 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.9 | -39.3 | 176.4 | -74.5 | -23.8 | 0 | 0 | 0 | 111.7 | T661 A662 L663 R668 M669 | T661-D665 PolarHBondContact O-N 2.8Å; A662-D665 PolarHBondContact O-N 3.22Å; L663-D665 VanDerWaalsContact C-N 3.31Å; L663-D665 PolarHBondContact O-N 3.47Å; D665-R668 PolarHBondContact O-N 2.92Å; D665-M669 WeakPolarHBondContact O-CB 3.41Å; D665-M669 PolarHBondContact O-N 3.4Å |
| 666 | E | 91.8 | Very high | 92 | Very high | 128 Ų | 128 | 102.5 Ų | 102.5 | 60% | 0.598 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -61.4 | -45.7 | 171.9 | -73.7 | 177.9 | -176.8 | 0 | 0 | 111.7 | A662 L663 R668 M669 A670 | A662-E666 WeakPolarHBondContact O-CG 3.37Å; A662-E666 PolarHBondContact O-N 3.24Å; L663-E666 WeakPolarHBondContact O-CB 3.42Å; L663-E666 PolarHBondContact O-N 2.96Å; E666-R668 PolarHBondContact O-N 2.92Å; E666-M669 PolarHBondContact O-N 2.78Å; E666-A670 WeakPolarHBondContact O-CB 3.13Å; E666-A670 PolarHBondContact O-N 3.03Å |
| 667 | F | 92.1 | Very high | 92 | Very high | 131 Ų | 131 | 107.7 Ų | 107.7 | 58% | 0.575 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.6 | -41.4 | 175.3 | -84.9 | -67.9 | 0 | 0 | 0 | 112.2 | L663 E664 M669 A670 L671 | L663-F667 HydrophobicContact CD1-CD2 4.26Å; L663-F667 HydrophobicContact CD1-CE2 3.87Å; L663-F667 HydrophobicContact CD2-CE2 4.09Å; L663-F667 HydrophobicContact CG-CD2 3.9Å; L663-F667 HydrophobicContact CG-CE2 3.68Å; L663-F667 WeakPolarHBondContact O-CD2 3.4Å; L663-F667 PolarHBondContact O-N 3.19Å; E664-F667 PolarHBondContact O-N 3.01Å; F667-M669 VanDerWaalsContact C-N 3.32Å; F667-M669 PolarHBondContact O-N 2.8Å; F667-A670 PolarHBondContact O-N 3.48Å; F667-L671 WeakPolarHBondContact O-CB 3.46Å; F667-L671 WeakPolarHBondContact O-CG 3.42Å; F667-L671 PolarHBondContact O-N 3.4Å |
| 668 | R | 93.4 | Very high | 91.9 | Very high | 155 Ų | 155 | 111.6 Ų | 111.6 | 59% | 0.585 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.4 | -39.8 | 175.4 | -73.3 | 170.5 | -173 | -147.2 | 6.3 | 111.5 | E664 D665 E666 R672 | E664-R668 WeakPolarHBondContact O-CB 3.28Å; E664-R668 WeakPolarHBondContact O-CG 3.42Å; E664-R668 PolarHBondContact O-N 3.49Å; D665-R668 PolarHBondContact O-N 2.92Å; E666-R668 PolarHBondContact O-N 2.92Å; R668-R672 WeakPolarHBondContact O-CB 3.35Å; R668-R672 PolarHBondContact O-N 3.21Å |
| 669 | M | 92.1 | Very high | 92 | Very high | 105 Ų | 105 | 109.9 Ų | 109.9 | 52% | 0.517 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.8 | -45.4 | 175.5 | -168.7 | 70 | 87.8 | 0 | 0 | 110.9 | D665 E666 F667 L671 R672 I673 | D665-M669 WeakPolarHBondContact O-CB 3.41Å; D665-M669 PolarHBondContact O-N 3.4Å; E666-M669 PolarHBondContact O-N 2.78Å; F667-M669 VanDerWaalsContact C-N 3.32Å; F667-M669 PolarHBondContact O-N 2.8Å; M669-L671 PolarHBondContact O-N 2.91Å; M669-R672 WeakPolarHBondContact O-CB 3.21Å; M669-R672 PolarHBondContact O-N 3.01Å; M669-R672 VanDerWaalsContact O-N 3.16Å; M669-I673 HydrophobicContact CG-CD1 4.1Å; M669-I673 WeakPolarHBondContact O-CG1 3.43Å; M669-I673 PolarHBondContact O-N 3.04Å |
| 670 | A | 91.6 | Very high | 92 | Very high | 53 Ų | 53 | 106.4 Ų | 106.4 | 44% | 0.438 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60 | -45.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | E666 F667 R672 I673 E674 | E666-A670 WeakPolarHBondContact O-CB 3.13Å; E666-A670 PolarHBondContact O-N 3.03Å; F667-A670 PolarHBondContact O-N 3.48Å; A670-R672 VanDerWaalsContact C-N 3.3Å; A670-R672 PolarHBondContact O-N 3.41Å; A670-I673 PolarHBondContact O-N 3.43Å; A670-E674 WeakPolarHBondContact O-CB 3.35Å; A670-E674 PolarHBondContact O-N 3.3Å |
| 671 | L | 91.8 | Very high | 92 | Very high | 123 Ų | 123 | 104.2 Ų | 104.2 | 64% | 0.644 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.1 | -36.9 | 175.3 | -74.5 | 170.9 | 0 | 0 | 0 | 112.4 | F667 M669 E674 A675 | F667-L671 WeakPolarHBondContact O-CB 3.46Å; F667-L671 WeakPolarHBondContact O-CG 3.42Å; F667-L671 PolarHBondContact O-N 3.4Å; M669-L671 PolarHBondContact O-N 2.91Å; L671-E674 PolarHBondContact O-N 3.33Å; L671-A675 WeakPolarHBondContact O-CB 3.32Å; L671-A675 PolarHBondContact O-N 3.19Å |
| 672 | R | 93.6 | Very high | 92.1 | Very high | 153 Ų | 153 | 105.2 Ų | 105.2 | 58% | 0.577 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.1 | -45.6 | 176.2 | -166.5 | -176 | -63.7 | 168.2 | 1.2 | 111.5 | R668 M669 A670 E674 A675 E676 | R668-R672 WeakPolarHBondContact O-CB 3.35Å; R668-R672 PolarHBondContact O-N 3.21Å; M669-R672 WeakPolarHBondContact O-CB 3.21Å; M669-R672 PolarHBondContact O-N 3.01Å; M669-R672 VanDerWaalsContact O-N 3.16Å; A670-R672 VanDerWaalsContact C-N 3.3Å; A670-R672 PolarHBondContact O-N 3.41Å; R672-E674 VanDerWaalsContact C-N 3.28Å; R672-E674 PolarHBondContact O-N 2.87Å; R672-A675 PolarHBondContact O-N 3.14Å; R672-E676 WeakPolarHBondContact O-CG 3.41Å; R672-E676 PolarHBondContact O-N 3.03Å |
| 673 | I | 90.6 | Very high | 92.2 | Very high | 74 Ų | 74 | 108.3 Ų | 108.3 | 38% | 0.379 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.1 | -41.8 | 175.7 | -67.9 | 166.8 | 0 | 0 | 0 | 110.4 | M669 A670 E676 R677 | M669-I673 HydrophobicContact CG-CD1 4.1Å; M669-I673 WeakPolarHBondContact O-CG1 3.43Å; M669-I673 PolarHBondContact O-N 3.04Å; A670-I673 PolarHBondContact O-N 3.43Å; I673-E676 PolarHBondContact O-N 3.45Å; I673-R677 WeakPolarHBondContact O-CB 3.41Å; I673-R677 WeakPolarHBondContact O-CG 3.12Å; I673-R677 PolarHBondContact O-N 3.05Å |
| 674 | E | 89 | Confident | 92.2 | Very high | 108 Ų | 108 | 108.1 Ų | 108.1 | 51% | 0.505 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.4 | -38.4 | 179.7 | -162.3 | 59 | -153.2 | 0 | 0 | 112.1 | A670 L671 R672 R677 Y678 | A670-E674 WeakPolarHBondContact O-CB 3.35Å; A670-E674 PolarHBondContact O-N 3.3Å; L671-E674 PolarHBondContact O-N 3.33Å; R672-E674 VanDerWaalsContact C-N 3.28Å; R672-E674 PolarHBondContact O-N 2.87Å; E674-R677 PolarHBondContact O-N 3.37Å; E674-Y678 WeakPolarHBondContact O-CB 3.4Å; E674-Y678 PolarHBondContact O-N 3.05Å |
| 675 | A | 92 | Very high | 92.1 | Very high | 61 Ų | 61 | 106.6 Ų | 106.6 | 50% | 0.504 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.3 | -44.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L671 R672 Y678 E679 | L671-A675 WeakPolarHBondContact O-CB 3.32Å; L671-A675 PolarHBondContact O-N 3.19Å; R672-A675 PolarHBondContact O-N 3.14Å; A675-Y678 PolarHBondContact O-N 3.04Å; A675-E679 WeakPolarHBondContact O-CB 3.24Å; A675-E679 PolarHBondContact O-N 3.31Å |
| 676 | E | 92.7 | Very high | 92.1 | Very high | 107 Ų | 107 | 105.8 Ų | 105.8 | 50% | 0.5 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 175.3 | -74.2 | 173.2 | -167.8 | 0 | 0 | 111.5 | R672 I673 E679 T680 | R672-E676 WeakPolarHBondContact O-CG 3.41Å; R672-E676 PolarHBondContact O-N 3.03Å; I673-E676 PolarHBondContact O-N 3.45Å; E676-E679 PolarHBondContact O-N 2.94Å; E676-T680 WeakPolarHBondContact O-CG2 3.38Å; E676-T680 PolarHBondContact O-N 3.32Å; E676-T680 PolarHBondContact O-OG1 3.22Å |
| 677 | R | 91.7 | Very high | 92.2 | Very high | 155 Ų | 155 | 104.8 Ų | 104.8 | 59% | 0.585 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.1 | -47.2 | 174.6 | -78.5 | 176.3 | 175.7 | -172.8 | -1.6 | 111.7 | I673 E674 E679 T680 L681 | I673-R677 WeakPolarHBondContact O-CB 3.41Å; I673-R677 WeakPolarHBondContact O-CG 3.12Å; I673-R677 PolarHBondContact O-N 3.05Å; E674-R677 PolarHBondContact O-N 3.37Å; R677-E679 VanDerWaalsContact C-N 3.32Å; R677-E679 PolarHBondContact O-N 3.39Å; R677-T680 WeakPolarHBondContact CA-OG1 3.46Å; R677-T680 PolarHBondContact O-N 2.91Å; R677-T680 PolarHBondContact O-OG1 2.95Å; R677-L681 WeakPolarHBondContact O-CB 3.28Å; R677-L681 PolarHBondContact O-N 3.47Å |
| 678 | Y | 91.5 | Very high | 92.1 | Very high | 155 Ų | 155 | 102.2 Ų | 102.2 | 61% | 0.608 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62 | -40.5 | 177.7 | -170.7 | -93.1 | 0 | 0 | 0 | 111.9 | E674 A675 L681 L682 | E674-Y678 WeakPolarHBondContact O-CB 3.4Å; E674-Y678 PolarHBondContact O-N 3.05Å; A675-Y678 PolarHBondContact O-N 3.04Å; Y678-L681 PolarHBondContact O-N 3.13Å; Y678-L682 WeakPolarHBondContact O-CB 3.46Å; Y678-L682 PolarHBondContact O-N 2.97Å |
| 679 | E | 93.8 | Very high | 92 | Very high | 102 Ų | 102 | 101 Ų | 101 | 48% | 0.477 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 175.6 | -169.4 | -174.6 | 160.5 | 0 | 0 | 111.8 | A675 E676 R677 L682 K683 | A675-E679 WeakPolarHBondContact O-CB 3.24Å; A675-E679 PolarHBondContact O-N 3.31Å; E676-E679 PolarHBondContact O-N 2.94Å; R677-E679 VanDerWaalsContact C-N 3.32Å; R677-E679 PolarHBondContact O-N 3.39Å; E679-L682 PolarHBondContact O-N 3.24Å; E679-K683 WeakPolarHBondContact O-CG 3.36Å; E679-K683 PolarHBondContact O-N 3.38Å; E679-K683 VanDerWaalsContact OE1-CE 3.29Å; E679-K683 WeakPolarHBondContact OE1-CE 3.47Å; E679-K683 IonicContact OE1-NZ 3.85Å; E679-K683 PolarHBondContact OE1-NZ 2.74Å |
| 680 | T | 92.1 | Very high | 92 | Very high | 82 Ų | 82 | 100.3 Ų | 100.3 | 50% | 0.503 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.6 | -42.3 | 175 | 59.3 | 0 | 0 | 0 | 0 | 112 | E676 R677 L682 K683 T684 | E676-T680 WeakPolarHBondContact O-CG2 3.38Å; E676-T680 PolarHBondContact O-N 3.32Å; E676-T680 PolarHBondContact O-OG1 3.22Å; R677-T680 WeakPolarHBondContact CA-OG1 3.46Å; R677-T680 PolarHBondContact O-N 2.91Å; R677-T680 PolarHBondContact O-OG1 2.95Å; T680-L682 VanDerWaalsContact C-N 3.35Å; T680-L682 PolarHBondContact O-N 3.36Å; T680-K683 PolarHBondContact O-N 2.86Å; T680-T684 VanDerWaalsContact O-CG2 3.29Å; T680-T684 WeakPolarHBondContact O-CG2 3.36Å; T680-T684 PolarHBondContact O-N 2.75Å; T680-T684 PolarHBondContact O-OG1 3.29Å |
| 681 | L | 92 | Very high | 91.9 | Very high | 107 Ų | 107 | 103.7 Ų | 103.7 | 56% | 0.56 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.3 | -44.4 | 177.2 | -177.9 | 64.2 | 0 | 0 | 0 | 111 | R677 Y678 T684 S685 | R677-L681 WeakPolarHBondContact O-CB 3.28Å; R677-L681 PolarHBondContact O-N 3.47Å; Y678-L681 PolarHBondContact O-N 3.13Å; L681-T684 WeakPolarHBondContact CA-OG1 3.5Å; L681-T684 PolarHBondContact O-N 3.45Å; L681-T684 PolarHBondContact O-OG1 2.87Å; L681-S685 WeakPolarHBondContact O-CB 3.24Å; L681-S685 PolarHBondContact O-N 2.85Å |
| 682 | L | 93.9 | Very high | 91.8 | Very high | 86 Ų | 86 | 102.2 Ų | 102.2 | 45% | 0.45 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.4 | -47.7 | 177.1 | -171.4 | 67.1 | 0 | 0 | 0 | 111.2 | Y678 E679 T680 T684 S685 D686 | Y678-L682 WeakPolarHBondContact O-CB 3.46Å; Y678-L682 PolarHBondContact O-N 2.97Å; E679-L682 PolarHBondContact O-N 3.24Å; T680-L682 VanDerWaalsContact C-N 3.35Å; T680-L682 PolarHBondContact O-N 3.36Å; L682-T684 VanDerWaalsContact C-N 3.33Å; L682-T684 PolarHBondContact O-N 3.11Å; L682-S685 WeakPolarHBondContact O-CB 3.45Å; L682-S685 PolarHBondContact O-N 2.69Å; L682-D686 PolarHBondContact O-N 3.24Å |
| 683 | K | 93.9 | Very high | 91.7 | Very high | 113 Ų | 113 | 98.6 Ų | 98.6 | 49% | 0.491 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.6 | -42.8 | 175.4 | -72.2 | 172.1 | -174.7 | 167.2 | 0 | 112.2 | E679 T680 D686 L687 | E679-K683 WeakPolarHBondContact O-CG 3.36Å; E679-K683 PolarHBondContact O-N 3.38Å; E679-K683 VanDerWaalsContact OE1-CE 3.29Å; E679-K683 WeakPolarHBondContact OE1-CE 3.47Å; E679-K683 IonicContact OE1-NZ 3.85Å; E679-K683 PolarHBondContact OE1-NZ 2.74Å; T680-K683 PolarHBondContact O-N 2.86Å; K683-D686 PolarHBondContact O-N 3.22Å; K683-L687 WeakPolarHBondContact O-CG 3.46Å; K683-L687 PolarHBondContact O-N 3.45Å |
| 684 | T | 91.7 | Very high | 91.8 | Very high | 73 Ų | 73 | 99.8 Ų | 99.8 | 45% | 0.448 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.8 | -36.1 | 178 | 59.5 | 0 | 0 | 0 | 0 | 112.5 | T680 L681 L682 L687 C688 | T680-T684 VanDerWaalsContact O-CG2 3.29Å; T680-T684 WeakPolarHBondContact O-CG2 3.36Å; T680-T684 PolarHBondContact O-N 2.75Å; T680-T684 PolarHBondContact O-OG1 3.29Å; L681-T684 WeakPolarHBondContact CA-OG1 3.5Å; L681-T684 PolarHBondContact O-N 3.45Å; L681-T684 PolarHBondContact O-OG1 2.87Å; L682-T684 VanDerWaalsContact C-N 3.33Å; L682-T684 PolarHBondContact O-N 3.11Å; T684-L687 PolarHBondContact O-N 2.85Å; T684-C688 WeakPolarHBondContact O-CB 3.32Å; T684-C688 PolarHBondContact O-N 2.94Å |
| 685 | S | 91 | Very high | 91.7 | Very high | 68 Ų | 68 | 98.2 Ų | 98.2 | 48% | 0.476 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.3 | -44 | 174.8 | -176.1 | 0 | 0 | 0 | 0 | 111.4 | L681 L682 C688 K689 | L681-S685 WeakPolarHBondContact O-CB 3.24Å; L681-S685 PolarHBondContact O-N 2.85Å; L682-S685 WeakPolarHBondContact O-CB 3.45Å; L682-S685 PolarHBondContact O-N 2.69Å; S685-C688 PolarHBondContact O-N 3.35Å; S685-K689 WeakPolarHBondContact O-CB 3.37Å; S685-K689 PolarHBondContact O-N 3.29Å |
| 686 | D | 92.3 | Very high | 91.8 | Very high | 82 Ų | 82 | 100 Ų | 100 | 44% | 0.439 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.1 | -39.9 | 175.8 | -74 | -28.4 | 0 | 0 | 0 | 112 | L682 K683 K689 N690 | L682-D686 PolarHBondContact O-N 3.24Å; K683-D686 PolarHBondContact O-N 3.22Å; D686-K689 PolarHBondContact O-N 3.24Å; D686-N690 VanDerWaalsContact O-CG 3.25Å; D686-N690 PolarHBondContact O-N 3.05Å; D686-N690 PolarHBondContact O-ND2 3.14Å |
| 687 | L | 92.6 | Very high | 91.7 | Very high | 107 Ų | 107 | 99.8 Ų | 99.8 | 56% | 0.56 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.4 | -49.8 | 172.6 | -75.8 | 168.5 | 0 | 0 | 0 | 111.6 | K683 T684 K689 N690 E691 | K683-L687 WeakPolarHBondContact O-CG 3.46Å; K683-L687 PolarHBondContact O-N 3.45Å; T684-L687 PolarHBondContact O-N 2.85Å; L687-K689 VanDerWaalsContact C-N 3.27Å; L687-K689 PolarHBondContact O-N 2.79Å; L687-N690 PolarHBondContact O-N 2.68Å; L687-N690 VanDerWaalsContact O-N 3.11Å; L687-E691 WeakPolarHBondContact O-CG 3.28Å; L687-E691 PolarHBondContact O-N 2.89Å |
| 688 | C | 90.2 | Very high | 91.7 | Very high | 78 Ų | 78 | 97.9 Ų | 97.9 | 53% | 0.527 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58 | -39.2 | 175.6 | -82.1 | 0 | 0 | 0 | 0 | 112.2 | T684 S685 E691 L692 | T684-C688 WeakPolarHBondContact O-CB 3.32Å; T684-C688 PolarHBondContact O-N 2.94Å; S685-C688 PolarHBondContact O-N 3.35Å; C688-E691 PolarHBondContact O-N 3.44Å; C688-L692 WeakPolarHBondContact O-CB 3.35Å; C688-L692 PolarHBondContact O-N 3.45Å |
| 689 | K | 92.2 | Very high | 91.6 | Very high | 130 Ų | 130 | 95.7 Ų | 95.7 | 57% | 0.565 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.4 | -39.5 | 176.9 | -170.3 | 176.5 | -179 | -179.4 | 0 | 111.9 | S685 D686 L687 L692 N693 | S685-K689 WeakPolarHBondContact O-CB 3.37Å; S685-K689 PolarHBondContact O-N 3.29Å; D686-K689 PolarHBondContact O-N 3.24Å; L687-K689 VanDerWaalsContact C-N 3.27Å; L687-K689 PolarHBondContact O-N 2.79Å; K689-L692 PolarHBondContact O-N 3.31Å; K689-N693 VanDerWaalsContact O-CG 3.29Å; K689-N693 PolarHBondContact O-N 2.69Å; K689-N693 PolarHBondContact O-ND2 3.2Å |
| 690 | N | 91.3 | Very high | 91.6 | Very high | 90 Ų | 90 | 97.6 Ų | 97.6 | 48% | 0.481 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.9 | -40.8 | 175.1 | -70.4 | -26.6 | 0 | 0 | 0 | 111.9 | D686 L687 N693 N694 | D686-N690 VanDerWaalsContact O-CG 3.25Å; D686-N690 PolarHBondContact O-N 3.05Å; D686-N690 PolarHBondContact O-ND2 3.14Å; L687-N690 PolarHBondContact O-N 2.68Å; L687-N690 VanDerWaalsContact O-N 3.11Å; N690-N693 PolarHBondContact O-N 3.44Å; N690-N694 WeakPolarHBondContact O-CB 3.41Å; N690-N694 PolarHBondContact O-N 3.29Å |
| 691 | E | 90.4 | Very high | 91.5 | Very high | 123 Ų | 123 | 98 Ų | 98 | 58% | 0.575 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.4 | -40.9 | 173.4 | -72.1 | -179 | 170.8 | 0 | 0 | 111.9 | L687 C688 N694 T695 | L687-E691 WeakPolarHBondContact O-CG 3.28Å; L687-E691 PolarHBondContact O-N 2.89Å; C688-E691 PolarHBondContact O-N 3.44Å; E691-N694 PolarHBondContact O-N 3.5Å; E691-T695 WeakPolarHBondContact O-CG2 3.29Å; E691-T695 PolarHBondContact O-N 2.74Å; E691-T695 PolarHBondContact O-OG1 3.23Å |
| 692 | L | 89.7 | Confident | 91.4 | Very high | 92 Ų | 92 | 97.7 Ų | 97.7 | 48% | 0.482 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.6 | -44.9 | 173.9 | -178.4 | 63.9 | 0 | 0 | 0 | 111.5 | C688 K689 N694 T695 Q696 | C688-L692 WeakPolarHBondContact O-CB 3.35Å; C688-L692 PolarHBondContact O-N 3.45Å; K689-L692 PolarHBondContact O-N 3.31Å; L692-N694 PolarHBondContact O-N 3.25Å; L692-T695 WeakPolarHBondContact CA-OG1 3.28Å; L692-T695 PolarHBondContact O-N 2.96Å; L692-T695 PolarHBondContact O-OG1 2.92Å; L692-Q696 HydrophobicContact CD1-CG 4.46Å; L692-Q696 WeakPolarHBondContact O-CB 3.39Å; L692-Q696 VanDerWaalsContact O-CG 3.24Å; L692-Q696 WeakPolarHBondContact O-CG 3.44Å; L692-Q696 PolarHBondContact O-N 2.95Å |
| 693 | N | 91.9 | Very high | 91.2 | Very high | 77 Ų | 77 | 97.2 Ų | 97.2 | 41% | 0.412 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.2 | -41.6 | 176.5 | -73.5 | -21.7 | 0 | 0 | 0 | 111.8 | K689 N690 Q696 L697 | K689-N693 VanDerWaalsContact O-CG 3.29Å; K689-N693 PolarHBondContact O-N 2.69Å; K689-N693 PolarHBondContact O-ND2 3.2Å; N690-N693 PolarHBondContact O-N 3.44Å; N693-Q696 PolarHBondContact O-N 3.11Å; N693-L697 PolarHBondContact O-N 3.32Å |
| 694 | N | 90.9 | Very high | 91.2 | Very high | 100 Ų | 100 | 97.7 Ų | 97.7 | 54% | 0.535 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.4 | -44.3 | 177.1 | -80.1 | -16 | 0 | 0 | 0 | 112 | N690 E691 L692 L697 Q698 | N690-N694 WeakPolarHBondContact O-CB 3.41Å; N690-N694 PolarHBondContact O-N 3.29Å; E691-N694 PolarHBondContact O-N 3.5Å; L692-N694 PolarHBondContact O-N 3.25Å; N694-L697 PolarHBondContact O-N 3.43Å; N694-Q698 WeakPolarHBondContact O-CG 3.49Å; N694-Q698 PolarHBondContact O-N 3.35Å |
| 695 | T | 88.6 | Confident | 91 | Very high | 74 Ų | 74 | 100.8 Ų | 100.8 | 45% | 0.454 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.4 | -35.7 | 177.6 | 51.5 | 0 | 0 | 0 | 0 | 112.1 | E691 L692 Q698 L699 | E691-T695 WeakPolarHBondContact O-CG2 3.29Å; E691-T695 PolarHBondContact O-N 2.74Å; E691-T695 PolarHBondContact O-OG1 3.23Å; L692-T695 WeakPolarHBondContact CA-OG1 3.28Å; L692-T695 PolarHBondContact O-N 2.96Å; L692-T695 PolarHBondContact O-OG1 2.92Å; T695-Q698 PolarHBondContact O-N 3.28Å; T695-L699 WeakPolarHBondContact O-CB 3.37Å; T695-L699 PolarHBondContact O-N 2.95Å |
| 696 | Q | 92.8 | Very high | 91 | Very high | 99 Ų | 99 | 102 Ų | 102 | 46% | 0.463 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.5 | -39.3 | 171.8 | -75.4 | 177.5 | 1 | 0 | 0 | 112.7 | L692 N693 L699 K700 | L692-Q696 HydrophobicContact CD1-CG 4.46Å; L692-Q696 WeakPolarHBondContact O-CB 3.39Å; L692-Q696 VanDerWaalsContact O-CG 3.24Å; L692-Q696 WeakPolarHBondContact O-CG 3.44Å; L692-Q696 PolarHBondContact O-N 2.95Å; N693-Q696 PolarHBondContact O-N 3.11Å; Q696-L699 PolarHBondContact O-N 3.17Å; Q696-K700 PolarHBondContact O-N 3.41Å |
| 697 | L | 91.4 | Very high | 91 | Very high | 102 Ų | 102 | 104.1 Ų | 104.1 | 53% | 0.534 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.4 | -48.2 | 174.9 | -163.4 | 91.4 | 0 | 0 | 0 | 110.8 | N693 N694 L699 K700 E701 | N693-L697 PolarHBondContact O-N 3.32Å; N694-L697 PolarHBondContact O-N 3.43Å; L697-L699 VanDerWaalsContact C-N 3.29Å; L697-L699 PolarHBondContact O-N 2.94Å; L697-K700 WeakPolarHBondContact O-CB 3.39Å; L697-K700 PolarHBondContact O-N 3.43Å; L697-K700 VanDerWaalsContact O-N 3.14Å; L697-E701 PolarHBondContact O-N 2.86Å; L697-E701 VanDerWaalsContact O-N 3.08Å |
| 698 | Q | 91.1 | Very high | 90.9 | Very high | 115 Ų | 115 | 102.5 Ų | 102.5 | 54% | 0.537 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.9 | -38.2 | 176.5 | -73 | 175.9 | -7.3 | 0 | 0 | 112.3 | N694 T695 E701 M702 | N694-Q698 WeakPolarHBondContact O-CG 3.49Å; N694-Q698 PolarHBondContact O-N 3.35Å; T695-Q698 PolarHBondContact O-N 3.28Å; Q698-E701 PolarHBondContact O-N 3.33Å; Q698-M702 WeakPolarHBondContact O-CB 3.48Å; Q698-M702 VanDerWaalsContact O-CG 3.27Å; Q698-M702 WeakPolarHBondContact O-CG 3.29Å; Q698-M702 PolarHBondContact O-N 3.15Å |
| 699 | L | 90.5 | Very high | 90.9 | Very high | 109 Ų | 109 | 100.9 Ų | 100.9 | 57% | 0.571 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.2 | -41.1 | 176.3 | -177.9 | 63.4 | 0 | 0 | 0 | 111.6 | T695 Q696 L697 M702 I703 | T695-L699 WeakPolarHBondContact O-CB 3.37Å; T695-L699 PolarHBondContact O-N 2.95Å; Q696-L699 PolarHBondContact O-N 3.17Å; L697-L699 VanDerWaalsContact C-N 3.29Å; L697-L699 PolarHBondContact O-N 2.94Å; L699-M702 PolarHBondContact O-N 3.33Å; L699-I703 HydrophobicContact CD1-CD1 4.5Å; L699-I703 HydrophobicContact CG-CD1 4.19Å; L699-I703 VanDerWaalsContact O-CG1 3.31Å; L699-I703 WeakPolarHBondContact O-CG1 3.43Å; L699-I703 PolarHBondContact O-N 2.9Å |
| 700 | K | 92.3 | Very high | 90.7 | Very high | 142 Ų | 142 | 102 Ų | 102 | 62% | 0.617 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.4 | -47 | 174.8 | -73.6 | -179.2 | 178 | -178.7 | 0 | 111.7 | Q696 L697 M702 I703 E704 | Q696-K700 PolarHBondContact O-N 3.41Å; L697-K700 WeakPolarHBondContact O-CB 3.39Å; L697-K700 PolarHBondContact O-N 3.43Å; L697-K700 VanDerWaalsContact O-N 3.14Å; K700-M702 VanDerWaalsContact C-N 3.26Å; K700-M702 PolarHBondContact O-N 3.23Å; K700-I703 PolarHBondContact O-N 3.34Å; K700-I703 VanDerWaalsContact O-N 3.14Å; K700-E704 PolarHBondContact O-N 3.27Å |
| 701 | E | 91.4 | Very high | 90.6 | Very high | 91 Ų | 91 | 100.9 Ų | 100.9 | 43% | 0.425 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.7 | -33.8 | 176.6 | -68.7 | 176.9 | 178.7 | 0 | 0 | 112.7 | L697 Q698 R705 | L697-E701 PolarHBondContact O-N 2.86Å; L697-E701 VanDerWaalsContact O-N 3.08Å; Q698-E701 PolarHBondContact O-N 3.33Å; E701-R705 WeakPolarHBondContact O-CB 3.21Å; E701-R705 WeakPolarHBondContact O-CG 3.28Å; E701-R705 PolarHBondContact O-N 2.93Å; E701-R705 VanDerWaalsContact O-N 3.17Å; E701-R705 PolarHBondContact O-NE 2.85Å |
| 702 | M | 88.7 | Confident | 90.6 | Very high | 100 Ų | 100 | 99.7 Ų | 99.7 | 49% | 0.493 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.2 | -41 | 174.5 | -75.8 | -66.4 | -51.1 | 0 | 0 | 111.8 | Q698 L699 K700 R705 E706 | Q698-M702 WeakPolarHBondContact O-CB 3.48Å; Q698-M702 VanDerWaalsContact O-CG 3.27Å; Q698-M702 WeakPolarHBondContact O-CG 3.29Å; Q698-M702 PolarHBondContact O-N 3.15Å; L699-M702 PolarHBondContact O-N 3.33Å; K700-M702 VanDerWaalsContact C-N 3.26Å; K700-M702 PolarHBondContact O-N 3.23Å; M702-R705 PolarHBondContact O-N 3.04Å; M702-R705 PolarHBondContact SD-NH1 3.5Å; M702-R705 PolarHBondContact SD-NH2 3.15Å; M702-E706 PolarHBondContact O-N 3.27Å |
| 703 | I | 91.2 | Very high | 90.5 | Very high | 76 Ų | 76 | 100 Ų | 100 | 39% | 0.39 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.3 | -46.4 | 177.6 | -69.2 | 165.3 | 0 | 0 | 0 | 110.5 | L699 K700 R705 E706 E707 | L699-I703 HydrophobicContact CD1-CD1 4.5Å; L699-I703 HydrophobicContact CG-CD1 4.19Å; L699-I703 VanDerWaalsContact O-CG1 3.31Å; L699-I703 WeakPolarHBondContact O-CG1 3.43Å; L699-I703 PolarHBondContact O-N 2.9Å; K700-I703 PolarHBondContact O-N 3.34Å; K700-I703 VanDerWaalsContact O-N 3.14Å; I703-R705 VanDerWaalsContact C-N 3.3Å; I703-R705 PolarHBondContact O-N 3Å; I703-E706 WeakPolarHBondContact O-CB 3.22Å; I703-E706 PolarHBondContact O-N 3.43Å; I703-E706 VanDerWaalsContact O-N 3.1Å; I703-E707 WeakPolarHBondContact O-CG 3.45Å; I703-E707 PolarHBondContact O-N 3.48Å |
| 704 | E | 92 | Very high | 90.4 | Very high | 123 Ų | 123 | 102.9 Ų | 102.9 | 58% | 0.575 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.5 | -38.2 | 177.5 | -70.3 | 175.5 | -177.7 | 0 | 0 | 112.2 | K700 S708 | K700-E704 PolarHBondContact O-N 3.27Å; E704-S708 WeakPolarHBondContact O-CB 3.23Å; E704-S708 PolarHBondContact O-N 3.43Å; E704-S708 PolarHBondContact O-OG 2.83Å |
| 705 | R | 88.5 | Confident | 90.3 | Very high | 138 Ų | 138 | 103.4 Ų | 103.4 | 52% | 0.521 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.8 | -38.1 | 173.3 | -81.8 | -176.5 | -79 | 136.6 | -8.2 | 112.5 | E701 M702 I703 A709 | E701-R705 WeakPolarHBondContact O-CB 3.21Å; E701-R705 WeakPolarHBondContact O-CG 3.28Å; E701-R705 PolarHBondContact O-N 2.93Å; E701-R705 VanDerWaalsContact O-N 3.17Å; E701-R705 PolarHBondContact O-NE 2.85Å; M702-R705 PolarHBondContact O-N 3.04Å; M702-R705 PolarHBondContact SD-NH1 3.5Å; M702-R705 PolarHBondContact SD-NH2 3.15Å; I703-R705 VanDerWaalsContact C-N 3.3Å; I703-R705 PolarHBondContact O-N 3Å; R705-A709 WeakPolarHBondContact O-CB 3.35Å; R705-A709 PolarHBondContact O-N 2.9Å |
| 706 | E | 90.6 | Very high | 90.1 | Very high | 95 Ų | 95 | 105.1 Ų | 105.1 | 44% | 0.444 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.8 | -43.3 | 175.7 | -168.3 | -170.4 | 161.4 | 0 | 0 | 111.6 | M702 I703 A709 R710 | M702-E706 PolarHBondContact O-N 3.27Å; I703-E706 WeakPolarHBondContact O-CB 3.22Å; I703-E706 PolarHBondContact O-N 3.43Å; I703-E706 VanDerWaalsContact O-N 3.1Å; E706-A709 PolarHBondContact O-N 3.45Å; E706-R710 WeakPolarHBondContact O-CB 3.41Å; E706-R710 WeakPolarHBondContact O-CG 3.21Å; E706-R710 PolarHBondContact O-N 3.37Å; E706-R710 IonicContact OE1-CZ 3.26Å; E706-R710 VanDerWaalsContact OE1-CZ 3.22Å; E706-R710 IonicContact OE1-NE 3.95Å; E706-R710 PolarHBondContact OE1-NE 3.37Å; E706-R710 IonicContact OE1-NH2 2.76Å; E706-R710 PolarHBondContact OE1-NH2 2.9Å |
| 707 | E | 92.3 | Very high | 89.8 | Confident | 126 Ų | 126 | 104.7 Ų | 104.7 | 59% | 0.589 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.6 | -43.4 | 176.5 | -72.2 | -178.6 | 168.3 | 0 | 0 | 111.7 | I703 A709 R710 C711 | I703-E707 WeakPolarHBondContact O-CG 3.45Å; I703-E707 PolarHBondContact O-N 3.48Å; E707-A709 PolarHBondContact O-N 3.26Å; E707-R710 PolarHBondContact O-N 2.57Å; E707-C711 PolarHBondContact O-N 2.83Å |
| 708 | S | 90.8 | Very high | 89.7 | Confident | 73 Ų | 73 | 103 Ų | 103 | 51% | 0.51 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.4 | -44.8 | 174.5 | -60.5 | 0 | 0 | 0 | 0 | 111.7 | E704 C711 L712 | E704-S708 WeakPolarHBondContact O-CB 3.23Å; E704-S708 PolarHBondContact O-N 3.43Å; E704-S708 PolarHBondContact O-OG 2.83Å; S708-C711 WeakPolarHBondContact O-CB 3.47Å; S708-C711 PolarHBondContact O-N 2.89Å; S708-L712 PolarHBondContact O-N 3.38Å |
| 709 | A | 90 | Very high | 89.5 | Confident | 44 Ų | 44 | 100.9 Ų | 100.9 | 36% | 0.364 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.6 | -39.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R705 E706 E707 C711 L712 I713 | R705-A709 WeakPolarHBondContact O-CB 3.35Å; R705-A709 PolarHBondContact O-N 2.9Å; E706-A709 PolarHBondContact O-N 3.45Å; E707-A709 PolarHBondContact O-N 3.26Å; A709-C711 VanDerWaalsContact C-N 3.34Å; A709-L712 PolarHBondContact O-N 2.96Å; A709-I713 VanDerWaalsContact O-CG1 3.26Å; A709-I713 WeakPolarHBondContact O-CG1 3.31Å; A709-I713 PolarHBondContact O-N 3Å |
| 710 | R | 88.3 | Confident | 89.4 | Confident | 154 Ų | 154 | 100 Ų | 100 | 58% | 0.581 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.9 | -40.2 | 174.6 | -75.3 | 172.8 | 179 | -136.8 | 5.8 | 111.8 | E706 E707 I713 Q714 | E706-R710 WeakPolarHBondContact O-CB 3.41Å; E706-R710 WeakPolarHBondContact O-CG 3.21Å; E706-R710 PolarHBondContact O-N 3.37Å; E706-R710 IonicContact OE1-CZ 3.26Å; E706-R710 VanDerWaalsContact OE1-CZ 3.22Å; E706-R710 IonicContact OE1-NE 3.95Å; E706-R710 PolarHBondContact OE1-NE 3.37Å; E706-R710 IonicContact OE1-NH2 2.76Å; E706-R710 PolarHBondContact OE1-NH2 2.9Å; E707-R710 PolarHBondContact O-N 2.57Å; R710-I713 PolarHBondContact O-N 3.32Å; R710-Q714 WeakPolarHBondContact O-CG 3.42Å; R710-Q714 PolarHBondContact O-N 3.3Å |
| 711 | C | 89.9 | Confident | 89.1 | Confident | 65 Ų | 65 | 100.9 Ų | 100.9 | 44% | 0.439 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.6 | -48.2 | 175.9 | -156 | 0 | 0 | 0 | 0 | 111.3 | E707 S708 A709 I713 Q714 E715 | E707-C711 PolarHBondContact O-N 2.83Å; S708-C711 WeakPolarHBondContact O-CB 3.47Å; S708-C711 PolarHBondContact O-N 2.89Å; A709-C711 VanDerWaalsContact C-N 3.34Å; C711-I713 VanDerWaalsContact C-N 3.32Å; C711-I713 PolarHBondContact O-N 3.2Å; C711-Q714 WeakPolarHBondContact O-CA 3.28Å; C711-Q714 WeakPolarHBondContact O-CB 3.29Å; C711-Q714 PolarHBondContact O-N 3.3Å; C711-E715 PolarHBondContact O-N 2.96Å |
| 712 | L | 89.3 | Confident | 88.9 | Confident | 99 Ų | 99 | 101 Ų | 101 | 52% | 0.518 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -56.6 | -42.1 | 173.8 | -87.3 | 151.9 | 0 | 0 | 0 | 112.7 | S708 A709 Q714 E715 L716 | S708-L712 PolarHBondContact O-N 3.38Å; A709-L712 PolarHBondContact O-N 2.96Å; L712-Q714 VanDerWaalsContact C-N 3.33Å; L712-Q714 PolarHBondContact O-N 2.97Å; L712-E715 PolarHBondContact O-N 3.24Å; L712-L716 WeakPolarHBondContact O-CB 3.19Å; L712-L716 WeakPolarHBondContact O-CG 3.47Å; L712-L716 PolarHBondContact O-N 2.8Å |
| 713 | I | 87.9 | Confident | 88.9 | Confident | 97 Ų | 97 | 101.1 Ų | 101.1 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.8 | -37.2 | 176 | -70.2 | 165.4 | 0 | 0 | 0 | 111.1 | A709 R710 C711 N717 | A709-I713 VanDerWaalsContact O-CG1 3.26Å; A709-I713 WeakPolarHBondContact O-CG1 3.31Å; A709-I713 PolarHBondContact O-N 3Å; R710-I713 PolarHBondContact O-N 3.32Å; C711-I713 VanDerWaalsContact C-N 3.32Å; C711-I713 PolarHBondContact O-N 3.2Å; I713-N717 WeakPolarHBondContact CG2-ND2 3.47Å; I713-N717 WeakPolarHBondContact O-CB 3.43Å; I713-N717 VanDerWaalsContact O-CG 3.25Å; I713-N717 PolarHBondContact O-N 2.76Å; I713-N717 PolarHBondContact O-ND2 2.78Å |
| 714 | Q | 89.1 | Confident | 88.7 | Confident | 139 Ų | 139 | 104.9 Ų | 104.9 | 65% | 0.65 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.4 | -41.8 | 175.5 | -74.4 | -179.2 | -7.2 | 0 | 0 | 112.1 | R710 C711 L712 N717 S718 | R710-Q714 WeakPolarHBondContact O-CG 3.42Å; R710-Q714 PolarHBondContact O-N 3.3Å; C711-Q714 WeakPolarHBondContact O-CA 3.28Å; C711-Q714 WeakPolarHBondContact O-CB 3.29Å; C711-Q714 PolarHBondContact O-N 3.3Å; L712-Q714 VanDerWaalsContact C-N 3.33Å; L712-Q714 PolarHBondContact O-N 2.97Å; Q714-N717 PolarHBondContact O-N 3.11Å; Q714-S718 PolarHBondContact O-N 3.19Å |
| 715 | E | 89.3 | Confident | 88.5 | Confident | 111 Ų | 111 | 102.4 Ų | 102.4 | 52% | 0.519 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.5 | -46.3 | 174.2 | -69.4 | 179.3 | 176.4 | 0 | 0 | 111.7 | C711 L712 N717 S718 V719 | C711-E715 PolarHBondContact O-N 2.96Å; L712-E715 PolarHBondContact O-N 3.24Å; E715-N717 VanDerWaalsContact C-N 3.27Å; E715-N717 PolarHBondContact O-N 2.78Å; E715-S718 PolarHBondContact O-N 2.92Å; E715-S718 VanDerWaalsContact O-N 3.07Å; E715-S718 PolarHBondContact O-OG 3.04Å; E715-V719 WeakPolarHBondContact O-CG2 3.37Å; E715-V719 PolarHBondContact O-N 3.01Å |
| 716 | L | 85 | Confident | 88.4 | Confident | 109 Ų | 109 | 100.3 Ų | 100.3 | 57% | 0.571 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.2 | -40.4 | 174.8 | -75.2 | 168.6 | 0 | 0 | 0 | 111.6 | L712 S718 V719 V720 | L712-L716 WeakPolarHBondContact O-CB 3.19Å; L712-L716 WeakPolarHBondContact O-CG 3.47Å; L712-L716 PolarHBondContact O-N 2.8Å; L716-S718 VanDerWaalsContact C-N 3.33Å; L716-S718 PolarHBondContact O-N 2.86Å; L716-V719 PolarHBondContact O-N 3.05Å; L716-V720 WeakPolarHBondContact O-CB 3.46Å; L716-V720 VanDerWaalsContact O-CG2 3.23Å; L716-V720 WeakPolarHBondContact O-CG2 3.28Å; L716-V720 PolarHBondContact O-N 3.46Å |
| 717 | N | 86.7 | Confident | 88.2 | Confident | 91 Ų | 91 | 102.6 Ų | 102.6 | 49% | 0.487 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.1 | -32.6 | 176.1 | -79.3 | -47 | 0 | 0 | 0 | 113.1 | I713 Q714 E715 K721 | I713-N717 WeakPolarHBondContact CG2-ND2 3.47Å; I713-N717 WeakPolarHBondContact O-CB 3.43Å; I713-N717 VanDerWaalsContact O-CG 3.25Å; I713-N717 PolarHBondContact O-N 2.76Å; I713-N717 PolarHBondContact O-ND2 2.78Å; Q714-N717 PolarHBondContact O-N 3.11Å; E715-N717 VanDerWaalsContact C-N 3.27Å; E715-N717 PolarHBondContact O-N 2.78Å; N717-K721 WeakPolarHBondContact O-CG 3.43Å; N717-K721 PolarHBondContact O-N 3.4Å; N717-K721 VanDerWaalsContact O-N 3.15Å |
| 718 | S | 88.7 | Confident | 87.9 | Confident | 66 Ų | 66 | 99.6 Ų | 99.6 | 46% | 0.462 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70.1 | -45 | 175.2 | 80.3 | 0 | 0 | 0 | 0 | 110.8 | Q714 E715 L716 V720 K721 E722 | Q714-S718 PolarHBondContact O-N 3.19Å; E715-S718 PolarHBondContact O-N 2.92Å; E715-S718 VanDerWaalsContact O-N 3.07Å; E715-S718 PolarHBondContact O-OG 3.04Å; L716-S718 VanDerWaalsContact C-N 3.33Å; L716-S718 PolarHBondContact O-N 2.86Å; S718-V720 PolarHBondContact O-N 3.16Å; S718-K721 WeakPolarHBondContact O-CB 3.45Å; S718-K721 PolarHBondContact O-N 3Å; S718-E722 PolarHBondContact O-N 3.46Å |
| 719 | V | 86.3 | Confident | 87.6 | Confident | 70 Ų | 70 | 99.4 Ų | 99.4 | 42% | 0.424 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.2 | -43.5 | 176 | 175.1 | 0 | 0 | 0 | 0 | 110.9 | E715 L716 K721 E722 Q723 | E715-V719 WeakPolarHBondContact O-CG2 3.37Å; E715-V719 PolarHBondContact O-N 3.01Å; L716-V719 PolarHBondContact O-N 3.05Å; V719-K721 VanDerWaalsContact C-N 3.33Å; V719-K721 PolarHBondContact O-N 3.25Å; V719-E722 PolarHBondContact O-N 3.32Å; V719-Q723 HydrophobicContact CG1-CG 4.25Å; V719-Q723 WeakPolarHBondContact O-CB 3.39Å; V719-Q723 WeakPolarHBondContact O-CG 3.42Å; V719-Q723 PolarHBondContact O-N 3.46Å |
| 720 | V | 88.4 | Confident | 87.4 | Confident | 91 Ų | 91 | 103.4 Ų | 103.4 | 55% | 0.552 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.4 | -39.7 | 176.6 | 169 | 0 | 0 | 0 | 0 | 111.6 | L716 S718 Q723 K724 | L716-V720 WeakPolarHBondContact O-CB 3.46Å; L716-V720 VanDerWaalsContact O-CG2 3.23Å; L716-V720 WeakPolarHBondContact O-CG2 3.28Å; L716-V720 PolarHBondContact O-N 3.46Å; S718-V720 PolarHBondContact O-N 3.16Å; V720-Q723 PolarHBondContact O-N 3.05Å; V720-K724 WeakPolarHBondContact O-CB 3.49Å; V720-K724 PolarHBondContact O-N 2.92Å |
| 721 | K | 87 | Confident | 87.4 | Confident | 160 Ų | 160 | 100.8 Ų | 100.8 | 70% | 0.696 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.3 | -42 | 174.7 | -78 | 177 | -177.9 | 176.2 | 0 | 111.8 | N717 S718 V719 K724 S725 | N717-K721 WeakPolarHBondContact O-CG 3.43Å; N717-K721 PolarHBondContact O-N 3.4Å; N717-K721 VanDerWaalsContact O-N 3.15Å; S718-K721 WeakPolarHBondContact O-CB 3.45Å; S718-K721 PolarHBondContact O-N 3Å; V719-K721 VanDerWaalsContact C-N 3.33Å; V719-K721 PolarHBondContact O-N 3.25Å; K721-K724 PolarHBondContact O-N 2.98Å; K721-S725 PolarHBondContact O-N 3.24Å |
| 722 | E | 87.9 | Confident | 87.4 | Confident | 93 Ų | 93 | 104.9 Ų | 104.9 | 44% | 0.435 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.3 | -43.6 | 176.7 | -168.7 | -171.7 | 154.6 | 0 | 0 | 111.8 | S718 V719 K724 S725 K726 | S718-E722 PolarHBondContact O-N 3.46Å; V719-E722 PolarHBondContact O-N 3.32Å; E722-K724 VanDerWaalsContact C-N 3.33Å; E722-K724 PolarHBondContact O-N 3.19Å; E722-S725 PolarHBondContact O-N 2.93Å; E722-S725 PolarHBondContact O-OG 2.93Å; E722-K726 WeakPolarHBondContact O-CG 3.42Å; E722-K726 PolarHBondContact O-N 3.4Å; E722-K726 WeakPolarHBondContact OE1-CE 3.45Å; E722-K726 IonicContact OE1-NZ 2.81Å; E722-K726 PolarHBondContact OE1-NZ 2.72Å |
| 723 | Q | 87.7 | Confident | 87.4 | Confident | 104 Ų | 104 | 103 Ų | 103 | 49% | 0.486 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.5 | -37.6 | 177.2 | -68.9 | -61.4 | -14.6 | 0 | 0 | 111.8 | V719 V720 S725 K726 Y727 | V719-Q723 HydrophobicContact CG1-CG 4.25Å; V719-Q723 WeakPolarHBondContact O-CB 3.39Å; V719-Q723 WeakPolarHBondContact O-CG 3.42Å; V719-Q723 PolarHBondContact O-N 3.46Å; V720-Q723 PolarHBondContact O-N 3.05Å; Q723-S725 VanDerWaalsContact C-N 3.32Å; Q723-S725 PolarHBondContact O-N 3.33Å; Q723-K726 PolarHBondContact O-N 3.35Å; Q723-Y727 WeakPolarHBondContact O-CB 3.34Å; Q723-Y727 PolarHBondContact O-N 3.45Å |
| 724 | K | 87.6 | Confident | 87.5 | Confident | 155 Ų | 155 | 104.1 Ų | 104.1 | 67% | 0.674 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.2 | -37.2 | 174.4 | -168.6 | 174.9 | -177.8 | 176.8 | 0 | 112.1 | V720 K721 E722 T728 | V720-K724 WeakPolarHBondContact O-CB 3.49Å; V720-K724 PolarHBondContact O-N 2.92Å; K721-K724 PolarHBondContact O-N 2.98Å; E722-K724 VanDerWaalsContact C-N 3.33Å; E722-K724 PolarHBondContact O-N 3.19Å; K724-T728 WeakPolarHBondContact O-CB 3.29Å; K724-T728 PolarHBondContact O-N 3.43Å; K724-T728 VanDerWaalsContact O-N 3.11Å; K724-T728 PolarHBondContact O-OG1 3.11Å |
| 725 | S | 86.8 | Confident | 87.5 | Confident | 70 Ų | 70 | 102.4 Ų | 102.4 | 49% | 0.49 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -70.7 | -41.8 | 176.2 | 74.4 | 0 | 0 | 0 | 0 | 111.7 | K721 E722 Q723 T728 S729 | K721-S725 PolarHBondContact O-N 3.24Å; E722-S725 PolarHBondContact O-N 2.93Å; E722-S725 PolarHBondContact O-OG 2.93Å; Q723-S725 VanDerWaalsContact C-N 3.32Å; Q723-S725 PolarHBondContact O-N 3.33Å; S725-T728 PolarHBondContact O-N 3.07Å; S725-S729 PolarHBondContact O-N 3.45Å; S725-S729 PolarHBondContact O-OG 3.44Å |
| 726 | K | 87.2 | Confident | 87.6 | Confident | 94 Ų | 94 | 102.4 Ų | 102.4 | 41% | 0.409 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.9 | -46 | 172.9 | -73.8 | 179.7 | -177.5 | 170.2 | 0 | 112.6 | E722 Q723 T728 S729 Q730 | E722-K726 WeakPolarHBondContact O-CG 3.42Å; E722-K726 PolarHBondContact O-N 3.4Å; E722-K726 WeakPolarHBondContact OE1-CE 3.45Å; E722-K726 IonicContact OE1-NZ 2.81Å; E722-K726 PolarHBondContact OE1-NZ 2.72Å; Q723-K726 PolarHBondContact O-N 3.35Å; K726-T728 VanDerWaalsContact C-N 3.29Å; K726-T728 PolarHBondContact O-N 2.9Å; K726-S729 WeakPolarHBondContact CA-OG 3.35Å; K726-S729 PolarHBondContact O-N 2.97Å; K726-S729 PolarHBondContact O-OG 3.38Å; K726-Q730 WeakPolarHBondContact O-CB 3.34Å; K726-Q730 PolarHBondContact O-N 3.28Å |
| 727 | Y | 86.1 | Confident | 87.8 | Confident | 144 Ų | 144 | 101.9 Ų | 101.9 | 57% | 0.565 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.1 | -41.5 | 175.5 | 179.4 | -95.8 | 0 | 0 | 0 | 111.5 | Q723 Q730 Q731 | Q723-Y727 WeakPolarHBondContact O-CB 3.34Å; Q723-Y727 PolarHBondContact O-N 3.45Å; Y727-Q730 PolarHBondContact O-N 2.92Å; Y727-Q731 VanDerWaalsContact O-CB 3.29Å; Y727-Q731 WeakPolarHBondContact O-CB 3.49Å; Y727-Q731 PolarHBondContact O-N 2.81Å |
| 728 | T | 85.3 | Confident | 87.8 | Confident | 62 Ų | 62 | 101.6 Ų | 101.6 | 38% | 0.38 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.7 | -39.3 | 178.5 | -53.8 | 0 | 0 | 0 | 0 | 112 | K724 S725 K726 K732 | K724-T728 WeakPolarHBondContact O-CB 3.29Å; K724-T728 PolarHBondContact O-N 3.43Å; K724-T728 VanDerWaalsContact O-N 3.11Å; K724-T728 PolarHBondContact O-OG1 3.11Å; S725-T728 PolarHBondContact O-N 3.07Å; K726-T728 VanDerWaalsContact C-N 3.29Å; K726-T728 PolarHBondContact O-N 2.9Å; T728-K732 WeakPolarHBondContact O-CG 3.41Å; T728-K732 PolarHBondContact O-N 3.21Å; T728-K732 VanDerWaalsContact O-N 3.15Å |
| 729 | S | 85.8 | Confident | 88 | Confident | 69 Ų | 69 | 103.2 Ų | 103.2 | 48% | 0.483 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.9 | -41.9 | 176 | 62.3 | 0 | 0 | 0 | 0 | 111.5 | S725 K726 Q731 K732 A733 | S725-S729 PolarHBondContact O-N 3.45Å; S725-S729 PolarHBondContact O-OG 3.44Å; K726-S729 WeakPolarHBondContact CA-OG 3.35Å; K726-S729 PolarHBondContact O-N 2.97Å; K726-S729 PolarHBondContact O-OG 3.38Å; S729-Q731 PolarHBondContact O-N 2.67Å; S729-K732 PolarHBondContact O-N 3.36Å; S729-A733 PolarHBondContact O-N 3.08Å |
| 730 | Q | 85.4 | Confident | 88.2 | Confident | 129 Ų | 129 | 103.7 Ų | 103.7 | 60% | 0.603 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.1 | -41.3 | 175.5 | -167.6 | 177.7 | 9.9 | 0 | 0 | 111.7 | K726 Y727 K732 A733 H734 | K726-Q730 WeakPolarHBondContact O-CB 3.34Å; K726-Q730 PolarHBondContact O-N 3.28Å; Y727-Q730 PolarHBondContact O-N 2.92Å; Q730-K732 VanDerWaalsContact C-N 3.34Å; Q730-K732 PolarHBondContact O-N 3.37Å; Q730-A733 PolarHBondContact O-N 2.83Å; Q730-H734 WeakPolarHBondContact O-CB 3.03Å; Q730-H734 PolarHBondContact O-N 2.95Å |
| 731 | Q | 88.8 | Confident | 88.1 | Confident | 99 Ų | 99 | 104 Ų | 104 | 46% | 0.463 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.3 | -38.3 | 176.2 | -170.1 | 169.5 | 15.7 | 0 | 0 | 112.2 | Y727 S729 L735 | Y727-Q731 VanDerWaalsContact O-CB 3.29Å; Y727-Q731 WeakPolarHBondContact O-CB 3.49Å; Y727-Q731 PolarHBondContact O-N 2.81Å; S729-Q731 PolarHBondContact O-N 2.67Å; Q731-L735 PolarHBondContact O-N 3.46Å |
| 732 | K | 90.2 | Very high | 88.3 | Confident | 151 Ų | 151 | 102.2 Ų | 102.2 | 66% | 0.657 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.7 | -43 | 172.7 | -73.7 | 177.4 | -179.6 | -178.8 | 0 | 112.1 | T728 S729 Q730 H734 L735 L736 | T728-K732 WeakPolarHBondContact O-CG 3.41Å; T728-K732 PolarHBondContact O-N 3.21Å; T728-K732 VanDerWaalsContact O-N 3.15Å; S729-K732 PolarHBondContact O-N 3.36Å; Q730-K732 VanDerWaalsContact C-N 3.34Å; Q730-K732 PolarHBondContact O-N 3.37Å; K732-H734 VanDerWaalsContact C-N 3.35Å; K732-L735 PolarHBondContact O-N 3.42Å; K732-L736 PolarHBondContact O-N 3.22Å |
| 733 | A | 87.9 | Confident | 88.4 | Confident | 59 Ų | 59 | 102.8 Ų | 102.8 | 49% | 0.488 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.5 | -41.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S729 Q730 L736 L737 | S729-A733 PolarHBondContact O-N 3.08Å; Q730-A733 PolarHBondContact O-N 2.83Å; A733-L736 PolarHBondContact O-N 3.12Å; A733-L737 WeakPolarHBondContact O-CB 3.48Å; A733-L737 PolarHBondContact O-N 3.46Å |
| 734 | H | 90.4 | Very high | 88.7 | Confident | 120 Ų | 120 | 105.5 Ų | 105.5 | 56% | 0.556 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.8 | -43.1 | 176.1 | -176.2 | -82.5 | 0 | 0 | 0 | 112.3 | Q730 K732 L736 L737 Q738 | Q730-H734 WeakPolarHBondContact O-CB 3.03Å; Q730-H734 PolarHBondContact O-N 2.95Å; K732-H734 VanDerWaalsContact C-N 3.35Å; H734-L736 VanDerWaalsContact C-N 3.34Å; H734-L736 PolarHBondContact O-N 3.39Å; H734-L737 PolarHBondContact O-N 3.37Å; H734-Q738 WeakPolarHBondContact O-CB 3.49Å; H734-Q738 PolarHBondContact O-N 3.22Å |
| 735 | L | 89.6 | Confident | 88.7 | Confident | 103 Ų | 103 | 102.4 Ų | 102.4 | 54% | 0.539 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.6 | -41.8 | 174.4 | -88 | 158.9 | 0 | 0 | 0 | 112.2 | Q731 K732 Q738 H739 | Q731-L735 PolarHBondContact O-N 3.46Å; K732-L735 PolarHBondContact O-N 3.42Å; L735-Q738 PolarHBondContact O-N 3.03Å; L735-H739 PolarHBondContact O-N 2.73Å |
| 736 | L | 90.9 | Very high | 88.8 | Confident | 111 Ų | 111 | 103.2 Ų | 103.2 | 58% | 0.581 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.7 | -43.1 | 176.2 | -168.2 | 77.3 | 0 | 0 | 0 | 111.7 | K732 A733 H734 Q738 H739 N740 | K732-L736 PolarHBondContact O-N 3.22Å; A733-L736 PolarHBondContact O-N 3.12Å; H734-L736 VanDerWaalsContact C-N 3.34Å; H734-L736 PolarHBondContact O-N 3.39Å; L736-Q738 PolarHBondContact O-N 2.86Å; L736-H739 WeakPolarHBondContact O-CB 3.45Å; L736-H739 PolarHBondContact O-N 3.37Å; L736-N740 VanDerWaalsContact O-CG 3.27Å; L736-N740 PolarHBondContact O-N 2.96Å; L736-N740 PolarHBondContact O-ND2 3.47Å |
| 737 | L | 89.4 | Confident | 88.9 | Confident | 99 Ų | 99 | 101.1 Ų | 101.1 | 52% | 0.518 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.9 | -45.2 | 175.4 | -174.5 | 76.6 | 0 | 0 | 0 | 111 | A733 H734 H739 N740 L741 | A733-L737 WeakPolarHBondContact O-CB 3.48Å; A733-L737 PolarHBondContact O-N 3.46Å; H734-L737 PolarHBondContact O-N 3.37Å; L737-H739 VanDerWaalsContact C-N 3.29Å; L737-H739 PolarHBondContact O-N 3.03Å; L737-N740 PolarHBondContact O-N 2.97Å; L737-L741 HydrophobicContact CD2-CD1 4.47Å; L737-L741 HydrophobicContact CG-CD1 4.13Å; L737-L741 HydrophobicContact CG-CG 4.46Å; L737-L741 WeakPolarHBondContact O-CB 3.45Å; L737-L741 WeakPolarHBondContact O-CG 3.39Å; L737-L741 PolarHBondContact O-N 2.91Å |
| 738 | Q | 87.3 | Confident | 88.9 | Confident | 85 Ų | 85 | 99 Ų | 99 | 40% | 0.397 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.4 | -39 | 177.4 | -168.6 | -175.6 | 16.6 | 0 | 0 | 111.7 | H734 L735 L736 K742 | H734-Q738 WeakPolarHBondContact O-CB 3.49Å; H734-Q738 PolarHBondContact O-N 3.22Å; L735-Q738 PolarHBondContact O-N 3.03Å; L736-Q738 PolarHBondContact O-N 2.86Å; Q738-K742 WeakPolarHBondContact O-CB 3.47Å; Q738-K742 VanDerWaalsContact O-CG 3.31Å; Q738-K742 WeakPolarHBondContact O-CG 3.29Å; Q738-K742 PolarHBondContact O-N 2.84Å |
| 739 | H | 92 | Very high | 89.1 | Confident | 100 Ų | 100 | 101.6 Ų | 101.6 | 46% | 0.463 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.7 | -50.8 | 173.6 | -178.4 | -86.8 | 0 | 0 | 0 | 111.7 | L735 L736 L737 L741 K742 E743 | L735-H739 PolarHBondContact O-N 2.73Å; L736-H739 WeakPolarHBondContact O-CB 3.45Å; L736-H739 PolarHBondContact O-N 3.37Å; L737-H739 VanDerWaalsContact C-N 3.29Å; L737-H739 PolarHBondContact O-N 3.03Å; H739-L741 VanDerWaalsContact C-N 3.33Å; H739-L741 PolarHBondContact O-N 3.41Å; H739-K742 WeakPolarHBondContact O-CB 3.35Å; H739-K742 PolarHBondContact O-N 3.27Å; H739-K742 VanDerWaalsContact O-N 3.15Å; H739-E743 IonicContact CE1-OE1 2.73Å; H739-E743 PolarHBondContact CE1-OE1 3.15Å; H739-E743 IonicContact CE1-OE2 3.9Å; H739-E743 IonicContact ND1-OE1 3.91Å; H739-E743 IonicContact ND1-OE2 2.69Å; H739-E743 IonicContact NE2-OE1 3.01Å; H739-E743 PolarHBondContact O-N 3.17Å |
| 740 | N | 89.5 | Confident | 89.3 | Confident | 79 Ų | 79 | 102.9 Ų | 102.9 | 42% | 0.422 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62 | -39.1 | 179.8 | -67.5 | -16.8 | 0 | 0 | 0 | 112.6 | L736 L737 R744 | L736-N740 VanDerWaalsContact O-CG 3.27Å; L736-N740 PolarHBondContact O-N 2.96Å; L736-N740 PolarHBondContact O-ND2 3.47Å; L737-N740 PolarHBondContact O-N 2.97Å; N740-R744 WeakPolarHBondContact O-CB 3.37Å; N740-R744 PolarHBondContact O-N 3.41Å |
| 741 | L | 88 | Confident | 89.6 | Confident | 98 Ų | 98 | 101.2 Ų | 101.2 | 51% | 0.513 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.3 | -40.8 | 175.6 | -71.5 | 174.9 | 0 | 0 | 0 | 111.5 | L737 H739 R744 I745 | L737-L741 HydrophobicContact CD2-CD1 4.47Å; L737-L741 HydrophobicContact CG-CD1 4.13Å; L737-L741 HydrophobicContact CG-CG 4.46Å; L737-L741 WeakPolarHBondContact O-CB 3.45Å; L737-L741 WeakPolarHBondContact O-CG 3.39Å; L737-L741 PolarHBondContact O-N 2.91Å; H739-L741 VanDerWaalsContact C-N 3.33Å; H739-L741 PolarHBondContact O-N 3.41Å; L741-R744 PolarHBondContact O-N 3.49Å; L741-I745 VanDerWaalsContact O-CG1 3.26Å; L741-I745 WeakPolarHBondContact O-CG1 3.28Å; L741-I745 PolarHBondContact O-N 2.89Å |
| 742 | K | 90.6 | Very high | 89.4 | Confident | 123 Ų | 123 | 101.5 Ų | 101.5 | 54% | 0.535 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61 | -49 | 174.2 | -77.7 | 174.8 | 179.8 | 177.7 | 0 | 111.4 | Q738 H739 R744 I745 T746 | Q738-K742 WeakPolarHBondContact O-CB 3.47Å; Q738-K742 VanDerWaalsContact O-CG 3.31Å; Q738-K742 WeakPolarHBondContact O-CG 3.29Å; Q738-K742 PolarHBondContact O-N 2.84Å; H739-K742 WeakPolarHBondContact O-CB 3.35Å; H739-K742 PolarHBondContact O-N 3.27Å; H739-K742 VanDerWaalsContact O-N 3.15Å; K742-R744 VanDerWaalsContact C-N 3.29Å; K742-R744 PolarHBondContact O-N 3.19Å; K742-I745 PolarHBondContact O-N 3.45Å; K742-T746 PolarHBondContact O-N 3.46Å; K742-T746 PolarHBondContact O-OG1 3.46Å |
| 743 | E | 90.2 | Very high | 89.4 | Confident | 104 Ų | 104 | 100.4 Ų | 100.4 | 49% | 0.486 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.1 | -42 | 176.1 | -74.7 | -173.8 | 150.7 | 0 | 0 | 112 | H739 I745 T746 T747 | H739-E743 IonicContact CE1-OE1 2.73Å; H739-E743 PolarHBondContact CE1-OE1 3.15Å; H739-E743 IonicContact CE1-OE2 3.9Å; H739-E743 IonicContact ND1-OE1 3.91Å; H739-E743 IonicContact ND1-OE2 2.69Å; H739-E743 IonicContact NE2-OE1 3.01Å; H739-E743 PolarHBondContact O-N 3.17Å; E743-I745 PolarHBondContact O-N 3.22Å; E743-T746 PolarHBondContact O-N 2.95Å; E743-T747 PolarHBondContact O-N 3.43Å; E743-T747 PolarHBondContact O-OG1 2.96Å |
| 744 | R | 93.1 | Very high | 89.5 | Confident | 161 Ų | 161 | 101 Ų | 101 | 61% | 0.608 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.5 | -40.6 | 177.7 | -177.6 | 60 | 113.9 | 174 | 0.8 | 112.3 | N740 L741 K742 T747 L748 | N740-R744 WeakPolarHBondContact O-CB 3.37Å; N740-R744 PolarHBondContact O-N 3.41Å; L741-R744 PolarHBondContact O-N 3.49Å; K742-R744 VanDerWaalsContact C-N 3.29Å; K742-R744 PolarHBondContact O-N 3.19Å; R744-T747 PolarHBondContact O-N 3.47Å; R744-L748 HydrophobicContact CG-CD1 4.26Å; R744-L748 WeakPolarHBondContact O-CG 3.41Å; R744-L748 PolarHBondContact O-N 3.24Å |
| 745 | I | 88.7 | Confident | 89.4 | Confident | 90 Ų | 90 | 97.1 Ų | 97.1 | 46% | 0.462 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.9 | -50.3 | 174.5 | -70.9 | 164.4 | 0 | 0 | 0 | 109.6 | L741 K742 E743 T747 L748 E749 | L741-I745 VanDerWaalsContact O-CG1 3.26Å; L741-I745 WeakPolarHBondContact O-CG1 3.28Å; L741-I745 PolarHBondContact O-N 2.89Å; K742-I745 PolarHBondContact O-N 3.45Å; E743-I745 PolarHBondContact O-N 3.22Å; I745-T747 PolarHBondContact O-N 3.4Å; I745-L748 PolarHBondContact O-N 2.98Å; I745-E749 HydrophobicContact CG2-CG 4.26Å; I745-E749 WeakPolarHBondContact O-CG 3.43Å; I745-E749 PolarHBondContact O-N 3.14Å |
| 746 | T | 88.9 | Confident | 89.4 | Confident | 87 Ų | 87 | 96.6 Ų | 96.6 | 53% | 0.534 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -56.8 | -39.4 | 177.8 | -45.2 | 0 | 0 | 0 | 0 | 112.1 | K742 E743 E749 M750 | K742-T746 PolarHBondContact O-N 3.46Å; K742-T746 PolarHBondContact O-OG1 3.46Å; E743-T746 PolarHBondContact O-N 2.95Å; T746-E749 PolarHBondContact O-N 3.29Å; T746-M750 PolarHBondContact O-N 3.37Å |
| 747 | T | 89.2 | Confident | 89.3 | Confident | 51 Ų | 51 | 93.8 Ų | 93.8 | 31% | 0.313 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67.3 | -41.7 | 177.8 | -42.3 | 0 | 0 | 0 | 0 | 111.7 | E743 R744 I745 M750 H751 | E743-T747 PolarHBondContact O-N 3.43Å; E743-T747 PolarHBondContact O-OG1 2.96Å; R744-T747 PolarHBondContact O-N 3.47Å; I745-T747 PolarHBondContact O-N 3.4Å; T747-M750 HydrophobicContact CG2-CE 4.2Å; T747-M750 PolarHBondContact O-N 2.98Å; T747-H751 PolarHBondContact O-CD2 3.48Å; T747-H751 PolarHBondContact O-N 3.03Å |
| 748 | L | 84.9 | Confident | 89.4 | Confident | 100 Ų | 100 | 95.5 Ų | 95.5 | 52% | 0.524 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -68.6 | -36.8 | 177.3 | -72.8 | 172.7 | 0 | 0 | 0 | 112 | R744 I745 H751 L752 | R744-L748 HydrophobicContact CG-CD1 4.26Å; R744-L748 WeakPolarHBondContact O-CG 3.41Å; R744-L748 PolarHBondContact O-N 3.24Å; I745-L748 PolarHBondContact O-N 2.98Å; L748-H751 PolarHBondContact O-N 3.49Å; L748-L752 WeakPolarHBondContact O-CB 3.44Å; L748-L752 PolarHBondContact O-N 3.41Å |
| 749 | E | 90.8 | Very high | 89.5 | Confident | 115 Ų | 115 | 96 Ų | 96 | 54% | 0.537 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.1 | -45.2 | 173.1 | -72.7 | 173.4 | 163.3 | 0 | 0 | 111 | I745 T746 H751 L752 E753 | I745-E749 HydrophobicContact CG2-CG 4.26Å; I745-E749 WeakPolarHBondContact O-CG 3.43Å; I745-E749 PolarHBondContact O-N 3.14Å; T746-E749 PolarHBondContact O-N 3.29Å; E749-H751 PolarHBondContact O-N 3.49Å; E749-L752 WeakPolarHBondContact O-CB 3.47Å; E749-L752 PolarHBondContact O-N 3.04Å; E749-E753 PolarHBondContact O-N 2.86Å |
| 750 | M | 90.1 | Very high | 89.3 | Confident | 97 Ų | 97 | 97.3 Ų | 97.3 | 48% | 0.478 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.7 | -45.5 | 173.8 | -178.2 | -175.2 | 67.4 | 0 | 0 | 112.1 | T746 T747 L752 E753 E754 | T746-M750 PolarHBondContact O-N 3.37Å; T747-M750 HydrophobicContact CG2-CE 4.2Å; T747-M750 PolarHBondContact O-N 2.98Å; M750-L752 VanDerWaalsContact C-N 3.34Å; M750-L752 PolarHBondContact O-N 2.94Å; M750-E753 PolarHBondContact O-N 3.3Å; M750-E754 PolarHBondContact O-N 2.87Å |
| 751 | H | 91.7 | Very high | 89.3 | Confident | 93 Ų | 93 | 98 Ų | 98 | 43% | 0.431 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65 | -35.9 | 176.6 | -74.4 | -54.1 | 0 | 0 | 0 | 113.2 | T747 L748 E749 E754 A755 | T747-H751 PolarHBondContact O-CD2 3.48Å; T747-H751 PolarHBondContact O-N 3.03Å; L748-H751 PolarHBondContact O-N 3.49Å; E749-H751 PolarHBondContact O-N 3.49Å; H751-E754 IonicContact ND1-OE2 3.88Å; H751-E754 PolarHBondContact O-N 2.88Å; H751-A755 WeakPolarHBondContact O-CB 3.34Å; H751-A755 PolarHBondContact O-N 3.02Å |
| 752 | L | 83.7 | Confident | 89.2 | Confident | 105 Ų | 105 | 99.7 Ų | 99.7 | 55% | 0.55 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 174.7 | -174.4 | 75.5 | 0 | 0 | 0 | 110.4 | L748 E749 M750 A755 Q756 | L748-L752 WeakPolarHBondContact O-CB 3.44Å; L748-L752 PolarHBondContact O-N 3.41Å; E749-L752 WeakPolarHBondContact O-CB 3.47Å; E749-L752 PolarHBondContact O-N 3.04Å; M750-L752 VanDerWaalsContact C-N 3.34Å; M750-L752 PolarHBondContact O-N 2.94Å; L752-A755 PolarHBondContact O-N 3.4Å; L752-Q756 WeakPolarHBondContact O-CB 3.35Å; L752-Q756 VanDerWaalsContact O-CG 3.29Å; L752-Q756 WeakPolarHBondContact O-CG 3.46Å; L752-Q756 PolarHBondContact O-N 3.02Å |
| 753 | E | 90.6 | Very high | 89.1 | Confident | 128 Ų | 128 | 98.9 Ų | 98.9 | 60% | 0.598 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.6 | -40.1 | 178.3 | -163.5 | 164.6 | -156.7 | 0 | 0 | 111.9 | E749 M750 Q756 T757 | E749-E753 PolarHBondContact O-N 2.86Å; M750-E753 PolarHBondContact O-N 3.3Å; E753-Q756 PolarHBondContact O-N 3.45Å; E753-T757 WeakPolarHBondContact O-CG2 3.36Å; E753-T757 PolarHBondContact O-N 2.96Å; E753-T757 PolarHBondContact O-OG1 3.07Å; E753-T757 VanDerWaalsContact O-OG1 3.13Å |
| 754 | E | 89.4 | Confident | 89.1 | Confident | 71 Ų | 71 | 97.7 Ų | 97.7 | 33% | 0.332 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 169.8 | -75.3 | -174.4 | 179.3 | 0 | 0 | 112.9 | M750 H751 T757 R758 | M750-E754 PolarHBondContact O-N 2.87Å; H751-E754 IonicContact ND1-OE2 3.88Å; H751-E754 PolarHBondContact O-N 2.88Å; E754-T757 VanDerWaalsContact CA-OG1 3.31Å; E754-T757 WeakPolarHBondContact CA-OG1 3.32Å; E754-T757 PolarHBondContact O-N 3.35Å; E754-T757 PolarHBondContact O-OG1 3.01Å; E754-R758 WeakPolarHBondContact O-CG 3.5Å; E754-R758 PolarHBondContact O-N 3.32Å; E754-R758 IonicContact OE2-CZ 3.69Å; E754-R758 IonicContact OE2-NH1 2.72Å; E754-R758 IonicContact OE2-NH2 3.02Å; E754-R758 PolarHBondContact OE2-NH2 3.36Å |
| 755 | A | 89.3 | Confident | 88.8 | Confident | 39 Ų | 39 | 94.9 Ų | 94.9 | 32% | 0.322 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65 | -42.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | H751 L752 T757 R758 I759 | H751-A755 WeakPolarHBondContact O-CB 3.34Å; H751-A755 PolarHBondContact O-N 3.02Å; L752-A755 PolarHBondContact O-N 3.4Å; A755-T757 PolarHBondContact O-N 3.34Å; A755-R758 PolarHBondContact O-N 3.32Å; A755-I759 WeakPolarHBondContact O-CG1 3.06Å; A755-I759 PolarHBondContact O-N 3.04Å |
| 756 | Q | 90.2 | Very high | 88.8 | Confident | 93 Ų | 93 | 98.7 Ų | 98.7 | 44% | 0.435 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.2 | -38.7 | 176.7 | -73.3 | 176.9 | 3.8 | 0 | 0 | 112.6 | L752 E753 I759 R760 | L752-Q756 WeakPolarHBondContact O-CB 3.35Å; L752-Q756 VanDerWaalsContact O-CG 3.29Å; L752-Q756 WeakPolarHBondContact O-CG 3.46Å; L752-Q756 PolarHBondContact O-N 3.02Å; E753-Q756 PolarHBondContact O-N 3.45Å; Q756-I759 PolarHBondContact O-N 3.47Å; Q756-R760 PolarHBondContact O-N 3.06Å |
| 757 | T | 87.7 | Confident | 88.9 | Confident | 51 Ų | 51 | 100.9 Ų | 100.9 | 31% | 0.313 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.6 | -41.8 | 174.5 | 49.9 | 0 | 0 | 0 | 0 | 111.8 | E753 E754 A755 I759 R760 N761 | E753-T757 WeakPolarHBondContact O-CG2 3.36Å; E753-T757 PolarHBondContact O-N 2.96Å; E753-T757 PolarHBondContact O-OG1 3.07Å; E753-T757 VanDerWaalsContact O-OG1 3.13Å; E754-T757 VanDerWaalsContact CA-OG1 3.31Å; E754-T757 WeakPolarHBondContact CA-OG1 3.32Å; E754-T757 PolarHBondContact O-N 3.35Å; E754-T757 PolarHBondContact O-OG1 3.01Å; A755-T757 PolarHBondContact O-N 3.34Å; T757-I759 PolarHBondContact O-N 2.94Å; T757-R760 PolarHBondContact O-N 3.33Å; T757-N761 VanDerWaalsContact O-CG 3.29Å; T757-N761 PolarHBondContact O-N 3.24Å |
| 758 | R | 91 | Very high | 89 | Confident | 135 Ų | 135 | 103.7 Ų | 103.7 | 51% | 0.509 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.4 | -43.2 | 173.7 | -69.9 | 178.7 | -162.1 | 110 | 5.6 | 112.3 | E754 A755 N761 H762 | E754-R758 WeakPolarHBondContact O-CG 3.5Å; E754-R758 PolarHBondContact O-N 3.32Å; E754-R758 IonicContact OE2-CZ 3.69Å; E754-R758 IonicContact OE2-NH1 2.72Å; E754-R758 IonicContact OE2-NH2 3.02Å; E754-R758 PolarHBondContact OE2-NH2 3.36Å; A755-R758 PolarHBondContact O-N 3.32Å; R758-N761 PolarHBondContact O-N 3.09Å; R758-H762 PolarHBondContact O-N 3.16Å; R758-H762 PolarHBondContact O-ND1 2.82Å |
| 759 | I | 89.5 | Confident | 89.2 | Confident | 97 Ų | 97 | 103.8 Ų | 103.8 | 50% | 0.497 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.7 | -48.3 | 176.5 | -69.6 | 166.1 | 0 | 0 | 0 | 110.6 | A755 Q756 T757 N761 H762 E763 | A755-I759 WeakPolarHBondContact O-CG1 3.06Å; A755-I759 PolarHBondContact O-N 3.04Å; Q756-I759 PolarHBondContact O-N 3.47Å; T757-I759 PolarHBondContact O-N 2.94Å; I759-N761 VanDerWaalsContact C-N 3.29Å; I759-N761 PolarHBondContact O-N 2.89Å; I759-H762 PolarHBondContact O-N 2.97Å; I759-H762 VanDerWaalsContact O-N 3.13Å; I759-E763 WeakPolarHBondContact O-CG 3.44Å; I759-E763 PolarHBondContact O-N 2.91Å |
| 760 | R | 89.2 | Confident | 89.1 | Confident | 126 Ų | 126 | 104.8 Ų | 104.8 | 48% | 0.475 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57.1 | -41.1 | 175.6 | -84.1 | -178.8 | -92.3 | 124.9 | -7.6 | 112.5 | Q756 T757 E763 N764 | Q756-R760 PolarHBondContact O-N 3.06Å; T757-R760 PolarHBondContact O-N 3.33Å; R760-E763 PolarHBondContact O-N 3.38Å; R760-N764 PolarHBondContact O-N 2.83Å |
| 761 | N | 89.1 | Confident | 89.2 | Confident | 94 Ų | 94 | 105.8 Ų | 105.8 | 50% | 0.503 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.3 | -41.8 | 176.4 | -68.8 | -13.2 | 0 | 0 | 0 | 112 | T757 R758 I759 E763 N764 L765 | T757-N761 VanDerWaalsContact O-CG 3.29Å; T757-N761 PolarHBondContact O-N 3.24Å; R758-N761 PolarHBondContact O-N 3.09Å; I759-N761 VanDerWaalsContact C-N 3.29Å; I759-N761 PolarHBondContact O-N 2.89Å; N761-E763 VanDerWaalsContact C-N 3.35Å; N761-N764 PolarHBondContact O-N 3.42Å; N761-L765 WeakPolarHBondContact O-CG 3.46Å; N761-L765 PolarHBondContact O-N 2.76Å |
| 762 | H | 86.3 | Confident | 89 | Confident | 134 Ų | 134 | 106.4 Ų | 106.4 | 62% | 0.62 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.7 | -37.7 | 175.4 | -76.8 | 17.5 | 0 | 0 | 0 | 112.5 | R758 I759 N764 R766 | R758-H762 PolarHBondContact O-N 3.16Å; R758-H762 PolarHBondContact O-ND1 2.82Å; I759-H762 PolarHBondContact O-N 2.97Å; I759-H762 VanDerWaalsContact O-N 3.13Å; H762-N764 VanDerWaalsContact C-N 3.35Å; H762-R766 VanDerWaalsContact O-CB 3.25Å; H762-R766 WeakPolarHBondContact O-CB 3.37Å; H762-R766 PolarHBondContact O-N 3.15Å |
| 763 | E | 88.4 | Confident | 89.3 | Confident | 105 Ų | 105 | 107.9 Ų | 107.9 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.6 | -40.1 | 173.8 | -72.5 | -179.6 | 170.8 | 0 | 0 | 112.2 | I759 R760 N761 R766 K767 | I759-E763 WeakPolarHBondContact O-CG 3.44Å; I759-E763 PolarHBondContact O-N 2.91Å; R760-E763 PolarHBondContact O-N 3.38Å; N761-E763 VanDerWaalsContact C-N 3.35Å; E763-R766 PolarHBondContact O-N 3.01Å; E763-K767 WeakPolarHBondContact O-CG 3.5Å; E763-K767 PolarHBondContact O-N 3.48Å |
| 764 | N | 88.6 | Confident | 89 | Confident | 80 Ų | 80 | 104.7 Ų | 104.7 | 43% | 0.428 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65 | -49.6 | 175.6 | -72.8 | -15.5 | 0 | 0 | 0 | 111.7 | R760 N761 H762 R766 K767 E768 | R760-N764 PolarHBondContact O-N 2.83Å; N761-N764 PolarHBondContact O-N 3.42Å; H762-N764 VanDerWaalsContact C-N 3.35Å; N764-R766 PolarHBondContact O-N 2.93Å; N764-K767 WeakPolarHBondContact O-CB 3.33Å; N764-K767 PolarHBondContact O-N 2.85Å; N764-E768 PolarHBondContact O-N 3.28Å |
| 765 | L | 86.7 | Confident | 88.9 | Confident | 101 Ų | 101 | 105.2 Ų | 105.2 | 53% | 0.529 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.5 | -37 | 174.9 | -73.3 | 167.1 | 0 | 0 | 0 | 112.1 | N761 K767 E768 L769 | N761-L765 WeakPolarHBondContact O-CG 3.46Å; N761-L765 PolarHBondContact O-N 2.76Å; L765-K767 VanDerWaalsContact C-N 3.34Å; L765-E768 PolarHBondContact O-N 2.87Å; L765-L769 WeakPolarHBondContact O-CB 3.3Å; L765-L769 PolarHBondContact O-N 3.48Å |
| 766 | R | 90.7 | Very high | 88.5 | Confident | 170 Ų | 170 | 107.9 Ų | 107.9 | 64% | 0.642 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.2 | -34.6 | 176.4 | -168.5 | 177.7 | -174 | -174.6 | 2.7 | 112.1 | H762 E763 N764 K770 | H762-R766 VanDerWaalsContact O-CB 3.25Å; H762-R766 WeakPolarHBondContact O-CB 3.37Å; H762-R766 PolarHBondContact O-N 3.15Å; E763-R766 PolarHBondContact O-N 3.01Å; N764-R766 PolarHBondContact O-N 2.93Å; R766-K770 WeakPolarHBondContact O-CG 3.23Å; R766-K770 PolarHBondContact O-N 3.3Å; R766-K770 VanDerWaalsContact O-N 3.15Å |
| 767 | K | 90.6 | Very high | 88.2 | Confident | 134 Ų | 134 | 107.7 Ų | 107.7 | 58% | 0.583 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -67.5 | -45.8 | 172.9 | -71.7 | 170.6 | -175.5 | 170.4 | 0 | 110.8 | E763 N764 L765 L769 K770 Q771 | E763-K767 WeakPolarHBondContact O-CG 3.5Å; E763-K767 PolarHBondContact O-N 3.48Å; N764-K767 WeakPolarHBondContact O-CB 3.33Å; N764-K767 PolarHBondContact O-N 2.85Å; L765-K767 VanDerWaalsContact C-N 3.34Å; K767-L769 PolarHBondContact O-N 3.41Å; K767-K770 PolarHBondContact O-N 3.09Å; K767-Q771 PolarHBondContact O-N 2.98Å |
| 768 | E | 90.3 | Very high | 88 | Confident | 110 Ų | 110 | 107.8 Ų | 107.8 | 51% | 0.514 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.2 | -45.5 | 176.1 | -70.5 | 172.6 | -175.5 | 0 | 0 | 112 | N764 L765 K770 Q771 Q772 | N764-E768 PolarHBondContact O-N 3.28Å; L765-E768 PolarHBondContact O-N 2.87Å; E768-K770 VanDerWaalsContact C-N 3.32Å; E768-K770 PolarHBondContact O-N 3.3Å; E768-Q771 WeakPolarHBondContact O-CB 3.44Å; E768-Q771 PolarHBondContact O-N 3.2Å; E768-Q771 VanDerWaalsContact O-N 3.13Å; E768-Q772 WeakPolarHBondContact O-CG 3.33Å; E768-Q772 PolarHBondContact O-N 3.21Å |
| 769 | L | 88.5 | Confident | 87.7 | Confident | 102 Ų | 102 | 106.4 Ų | 106.4 | 53% | 0.534 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59 | -42.8 | 175.7 | -173 | 92.2 | 0 | 0 | 0 | 111.9 | L765 K767 Q771 Q772 K773 | L765-L769 WeakPolarHBondContact O-CB 3.3Å; L765-L769 PolarHBondContact O-N 3.48Å; K767-L769 PolarHBondContact O-N 3.41Å; L769-Q771 VanDerWaalsContact C-N 3.32Å; L769-Q772 PolarHBondContact O-N 3.27Å; L769-K773 WeakPolarHBondContact O-CB 3.43Å; L769-K773 WeakPolarHBondContact O-CG 3.43Å; L769-K773 PolarHBondContact O-N 2.98Å |
| 770 | K | 89.9 | Confident | 87.4 | Confident | 135 Ų | 135 | 107.3 Ų | 107.3 | 59% | 0.587 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.4 | -40.1 | 176.3 | -77.7 | 178.5 | 178.7 | -173.9 | 0 | 111.4 | R766 K767 E768 K773 A774 | R766-K770 WeakPolarHBondContact O-CG 3.23Å; R766-K770 PolarHBondContact O-N 3.3Å; R766-K770 VanDerWaalsContact O-N 3.15Å; K767-K770 PolarHBondContact O-N 3.09Å; E768-K770 VanDerWaalsContact C-N 3.32Å; E768-K770 PolarHBondContact O-N 3.3Å; K770-K773 PolarHBondContact O-N 3.03Å; K770-A774 PolarHBondContact O-N 2.97Å |
| 771 | Q | 91.7 | Very high | 87.1 | Confident | 119 Ų | 119 | 105.2 Ų | 105.2 | 56% | 0.556 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.9 | -47.5 | 176.7 | -177.1 | 171.4 | -5 | 0 | 0 | 111.6 | K767 E768 L769 K773 A774 E775 | K767-Q771 PolarHBondContact O-N 2.98Å; E768-Q771 WeakPolarHBondContact O-CB 3.44Å; E768-Q771 PolarHBondContact O-N 3.2Å; E768-Q771 VanDerWaalsContact O-N 3.13Å; L769-Q771 VanDerWaalsContact C-N 3.32Å; Q771-K773 VanDerWaalsContact C-N 3.33Å; Q771-K773 PolarHBondContact O-N 2.89Å; Q771-A774 WeakPolarHBondContact O-CB 3.39Å; Q771-A774 PolarHBondContact O-N 3.47Å; Q771-A774 VanDerWaalsContact O-N 3.11Å; Q771-E775 PolarHBondContact O-N 3.23Å |
| 772 | Q | 88.1 | Confident | 86.6 | Confident | 106 Ų | 106 | 105.8 Ų | 105.8 | 50% | 0.495 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61 | -40 | 176.4 | -72.4 | -61.4 | -57.4 | 0 | 0 | 112.2 | E768 L769 A774 E775 M776 | E768-Q772 WeakPolarHBondContact O-CG 3.33Å; E768-Q772 PolarHBondContact O-N 3.21Å; L769-Q772 PolarHBondContact O-N 3.27Å; Q772-A774 PolarHBondContact O-N 3.48Å; Q772-E775 PolarHBondContact NE2-OE2 3.27Å; Q772-E775 PolarHBondContact O-N 2.92Å; Q772-M776 WeakPolarHBondContact O-CG 3.47Å; Q772-M776 PolarHBondContact O-N 2.95Å |
| 773 | K | 89.5 | Confident | 86.1 | Confident | 136 Ų | 136 | 103.4 Ų | 103.4 | 59% | 0.591 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -60.6 | -43.7 | 172.7 | -81.2 | -174.1 | 174.7 | -171.9 | 0 | 112.2 | L769 K770 Q771 M776 T777 | L769-K773 WeakPolarHBondContact O-CB 3.43Å; L769-K773 WeakPolarHBondContact O-CG 3.43Å; L769-K773 PolarHBondContact O-N 2.98Å; K770-K773 PolarHBondContact O-N 3.03Å; Q771-K773 VanDerWaalsContact C-N 3.33Å; Q771-K773 PolarHBondContact O-N 2.89Å; K773-M776 PolarHBondContact O-N 3.43Å; K773-T777 PolarHBondContact O-N 2.81Å; K773-T777 PolarHBondContact O-OG1 3.04Å |
| 774 | A | 84.9 | Confident | 85.6 | Confident | 61 Ų | 61 | 101.2 Ų | 101.2 | 50% | 0.504 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.5 | -40 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | K770 Q771 Q772 T777 A778 | K770-A774 PolarHBondContact O-N 2.97Å; Q771-A774 WeakPolarHBondContact O-CB 3.39Å; Q771-A774 PolarHBondContact O-N 3.47Å; Q771-A774 VanDerWaalsContact O-N 3.11Å; Q772-A774 PolarHBondContact O-N 3.48Å; A774-T777 PolarHBondContact O-N 3.49Å; A774-A778 WeakPolarHBondContact O-CB 3.46Å; A774-A778 PolarHBondContact O-N 3.43Å |
| 775 | E | 87.1 | Confident | 85.2 | Confident | 81 Ų | 81 | 99.2 Ų | 99.2 | 38% | 0.379 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.1 | -43.7 | 174.1 | -76.4 | 172.8 | -167.1 | 0 | 0 | 111.8 | Q771 Q772 A778 Q779 | Q771-E775 PolarHBondContact O-N 3.23Å; Q772-E775 PolarHBondContact NE2-OE2 3.27Å; Q772-E775 PolarHBondContact O-N 2.92Å; E775-A778 PolarHBondContact O-N 3.34Å; E775-Q779 WeakPolarHBondContact O-CG 3.4Å; E775-Q779 PolarHBondContact O-N 2.92Å |
| 776 | M | 81.3 | Confident | 84.7 | Confident | 96 Ų | 96 | 99.4 Ų | 99.4 | 47% | 0.473 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.6 | -46.7 | 175.3 | -73.1 | -60.1 | -56.6 | 0 | 0 | 112 | Q772 K773 A778 Q779 E780 | Q772-M776 WeakPolarHBondContact O-CG 3.47Å; Q772-M776 PolarHBondContact O-N 2.95Å; K773-M776 PolarHBondContact O-N 3.43Å; M776-A778 VanDerWaalsContact C-N 3.28Å; M776-A778 PolarHBondContact O-N 2.89Å; M776-Q779 PolarHBondContact O-N 2.68Å; M776-E780 WeakPolarHBondContact O-CG 3.31Å; M776-E780 PolarHBondContact O-N 3.13Å |
| 777 | T | 83.4 | Confident | 84 | Confident | 88 Ų | 88 | 97.9 Ų | 97.9 | 54% | 0.54 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.1 | -36.6 | 176.7 | -54.8 | 0 | 0 | 0 | 0 | 112 | K773 A774 S781 | K773-T777 PolarHBondContact O-N 2.81Å; K773-T777 PolarHBondContact O-OG1 3.04Å; A774-T777 PolarHBondContact O-N 3.49Å; T777-S781 PolarHBondContact O-N 3.23Å; T777-S781 VanDerWaalsContact O-N 3.09Å |
| 778 | A | 82.8 | Confident | 83.4 | Confident | 53 Ų | 53 | 93.8 Ų | 93.8 | 44% | 0.438 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66 | -42.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | A774 E775 M776 S781 I782 | A774-A778 WeakPolarHBondContact O-CB 3.46Å; A774-A778 PolarHBondContact O-N 3.43Å; E775-A778 PolarHBondContact O-N 3.34Å; M776-A778 VanDerWaalsContact C-N 3.28Å; M776-A778 PolarHBondContact O-N 2.89Å; A778-S781 WeakPolarHBondContact O-CB 3.47Å; A778-S781 PolarHBondContact O-N 3.28Å; A778-I782 WeakPolarHBondContact O-CG1 3.38Å; A778-I782 PolarHBondContact O-N 2.93Å; A778-I782 VanDerWaalsContact O-N 3.08Å |
| 779 | Q | 84.5 | Confident | 82.4 | Confident | 106 Ų | 106 | 94 Ų | 94 | 50% | 0.495 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.1 | -40.5 | 175.6 | -72.4 | -179.8 | 1.3 | 0 | 0 | 112.4 | E775 M776 S781 I782 I783 | E775-Q779 WeakPolarHBondContact O-CG 3.4Å; E775-Q779 PolarHBondContact O-N 2.92Å; M776-Q779 PolarHBondContact O-N 2.68Å; Q779-S781 VanDerWaalsContact C-N 3.29Å; Q779-S781 PolarHBondContact O-N 3Å; Q779-I782 PolarHBondContact O-N 3.32Å; Q779-I783 WeakPolarHBondContact O-CG1 3.37Å; Q779-I783 PolarHBondContact O-N 2.94Å |
| 780 | E | 83.9 | Confident | 81.3 | Confident | 117 Ų | 117 | 99 Ų | 99 | 55% | 0.547 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.3 | -40.9 | 174.3 | -74.7 | 173.9 | 168.9 | 0 | 0 | 111.7 | M776 I783 A784 | M776-E780 WeakPolarHBondContact O-CG 3.31Å; M776-E780 PolarHBondContact O-N 3.13Å; E780-I783 PolarHBondContact O-N 3.37Å; E780-A784 WeakPolarHBondContact O-CB 3.26Å; E780-A784 PolarHBondContact O-N 2.91Å |
| 781 | S | 82.1 | Confident | 80.5 | Confident | 82 Ų | 82 | 100.8 Ų | 100.8 | 57% | 0.573 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.8 | -43.6 | 174.5 | -178.2 | 0 | 0 | 0 | 0 | 112.4 | T777 A778 Q779 A784 G785 | T777-S781 PolarHBondContact O-N 3.23Å; T777-S781 VanDerWaalsContact O-N 3.09Å; A778-S781 WeakPolarHBondContact O-CB 3.47Å; A778-S781 PolarHBondContact O-N 3.28Å; Q779-S781 VanDerWaalsContact C-N 3.29Å; Q779-S781 PolarHBondContact O-N 3Å; S781-A784 PolarHBondContact O-N 3.32Å; S781-G785 PolarHBondContact O-N 3.14Å |
| 782 | I | 80.1 | Confident | 79.5 | Confident | 106 Ų | 106 | 99.7 Ų | 99.7 | 54% | 0.544 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.9 | -45.7 | 175.6 | -66.6 | 166.8 | 0 | 0 | 0 | 110.6 | A778 Q779 A784 G785 L786 | A778-I782 WeakPolarHBondContact O-CG1 3.38Å; A778-I782 PolarHBondContact O-N 2.93Å; A778-I782 VanDerWaalsContact O-N 3.08Å; Q779-I782 PolarHBondContact O-N 3.32Å; I782-A784 VanDerWaalsContact C-N 3.31Å; I782-A784 PolarHBondContact O-N 3.1Å; I782-G785 PolarHBondContact O-N 3.03Å; I782-L786 HydrophobicContact CG2-CD1 3.98Å; I782-L786 HydrophobicContact CG2-CG 4.38Å; I782-L786 WeakPolarHBondContact O-CG 3.42Å; I782-L786 PolarHBondContact O-N 3.17Å |
| 783 | I | 75.2 | Confident | 77.8 | Confident | 84 Ų | 84 | 103.5 Ų | 103.5 | 43% | 0.431 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.7 | -41 | 177.8 | -68.6 | 166.6 | 0 | 0 | 0 | 110.8 | Q779 E780 L786 K787 | Q779-I783 WeakPolarHBondContact O-CG1 3.37Å; Q779-I783 PolarHBondContact O-N 2.94Å; E780-I783 PolarHBondContact O-N 3.37Å; I783-L786 PolarHBondContact O-N 3.02Å; I783-K787 HydrophobicContact CG2-CD 4.05Å; I783-K787 HydrophobicContact CG2-CG 4.43Å; I783-K787 WeakPolarHBondContact O-CB 3.36Å; I783-K787 VanDerWaalsContact O-CG 3.3Å; I783-K787 WeakPolarHBondContact O-CG 3.36Å; I783-K787 PolarHBondContact O-N 3.46Å |
| 784 | A | 77.6 | Confident | 76.4 | Confident | 58 Ų | 58 | 99.1 Ų | 99.1 | 48% | 0.479 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | E780 S781 I782 K787 A788 | E780-A784 WeakPolarHBondContact O-CB 3.26Å; E780-A784 PolarHBondContact O-N 2.91Å; S781-A784 PolarHBondContact O-N 3.32Å; I782-A784 VanDerWaalsContact C-N 3.31Å; I782-A784 PolarHBondContact O-N 3.1Å; A784-K787 PolarHBondContact O-N 3.05Å; A784-A788 PolarHBondContact O-N 3.49Å |
| 785 | G | 80.7 | Confident | 75.4 | Confident | 39 Ų | 39 | 100.9 Ų | 100.9 | 40% | 0.402 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.7 | -49.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S781 I782 K787 A788 E789 | S781-G785 PolarHBondContact O-N 3.14Å; I782-G785 PolarHBondContact O-N 3.03Å; G785-K787 VanDerWaalsContact C-N 3.32Å; G785-K787 PolarHBondContact O-N 3.47Å; G785-A788 WeakPolarHBondContact O-CB 3.35Å; G785-A788 PolarHBondContact O-N 3.4Å; G785-A788 VanDerWaalsContact O-N 3.13Å; G785-E789 PolarHBondContact O-N 3.21Å |
| 786 | L | 75.7 | Confident | 73.8 | Confident | 105 Ų | 105 | 101.7 Ų | 101.7 | 55% | 0.55 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.1 | -36.3 | 178.2 | -69.5 | 172.3 | 0 | 0 | 0 | 112.8 | I782 I783 R790 | I782-L786 HydrophobicContact CG2-CD1 3.98Å; I782-L786 HydrophobicContact CG2-CG 4.38Å; I782-L786 WeakPolarHBondContact O-CG 3.42Å; I782-L786 PolarHBondContact O-N 3.17Å; I783-L786 PolarHBondContact O-N 3.02Å; L786-R790 PolarHBondContact O-N 3.46Å |
| 787 | K | 76.8 | Confident | 72 | Confident | 137 Ų | 137 | 102.9 Ų | 102.9 | 60% | 0.596 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -67.2 | -36.9 | 174.3 | -77.3 | 175.7 | 179.5 | 176.1 | 0 | 111.9 | I783 A784 G785 R791 | I783-K787 HydrophobicContact CG2-CD 4.05Å; I783-K787 HydrophobicContact CG2-CG 4.43Å; I783-K787 WeakPolarHBondContact O-CB 3.36Å; I783-K787 VanDerWaalsContact O-CG 3.3Å; I783-K787 WeakPolarHBondContact O-CG 3.36Å; I783-K787 PolarHBondContact O-N 3.46Å; A784-K787 PolarHBondContact O-N 3.05Å; G785-K787 VanDerWaalsContact C-N 3.32Å; G785-K787 PolarHBondContact O-N 3.47Å; K787-R791 PolarHBondContact O-N 2.96Å; K787-R791 VanDerWaalsContact O-N 3.14Å |
| 788 | A | 76.6 | Confident | 70.5 | Confident | 48 Ų | 48 | 102 Ų | 102 | 40% | 0.397 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.8 | -43.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | A784 G785 R790 R791 N792 | A784-A788 PolarHBondContact O-N 3.49Å; G785-A788 WeakPolarHBondContact O-CB 3.35Å; G785-A788 PolarHBondContact O-N 3.4Å; G785-A788 VanDerWaalsContact O-N 3.13Å; A788-R790 PolarHBondContact O-N 3.08Å; A788-R791 WeakPolarHBondContact O-CB 3.49Å; A788-R791 PolarHBondContact O-N 3.19Å; A788-R791 VanDerWaalsContact O-N 3.14Å; A788-N792 PolarHBondContact O-N 2.89Å |
| 789 | E | 70.8 | Confident | 69 | Low | 114 Ų | 114 | 105.3 Ų | 105.3 | 53% | 0.533 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.2 | -47.4 | 173.2 | -79.1 | -174 | 158.6 | 0 | 0 | 111.8 | G785 R791 N792 W793 | G785-E789 PolarHBondContact O-N 3.21Å; E789-R791 PolarHBondContact O-N 3.39Å; E789-N792 PolarHBondContact O-N 3.4Å; E789-N792 VanDerWaalsContact O-N 3.11Å; E789-W793 PolarHBondContact O-N 2.91Å |
| 790 | R | 64.8 | Low | 66.8 | Low | 207 Ų | 207 | 106.5 Ų | 106.5 | 78% | 0.781 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -56.1 | -38.5 | 176 | -176.7 | -179.4 | -70.7 | -168.8 | -2.5 | 112.2 | L786 A788 G794 | L786-R790 PolarHBondContact O-N 3.46Å; A788-R790 PolarHBondContact O-N 3.08Å; R790-G794 PolarHBondContact O-N 3.25Å |
| 791 | R | 72.9 | Confident | 64.9 | Low | 173 Ų | 173 | 103.7 Ų | 103.7 | 65% | 0.653 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.9 | -48.2 | 177.4 | -161.1 | -174.9 | -125.9 | 97.4 | -2.4 | 110.9 | K787 A788 E789 W793 G794 E795 | K787-R791 PolarHBondContact O-N 2.96Å; K787-R791 VanDerWaalsContact O-N 3.14Å; A788-R791 WeakPolarHBondContact O-CB 3.49Å; A788-R791 PolarHBondContact O-N 3.19Å; A788-R791 VanDerWaalsContact O-N 3.14Å; E789-R791 PolarHBondContact O-N 3.39Å; R791-W793 VanDerWaalsContact C-N 3.33Å; R791-W793 PolarHBondContact O-N 3.1Å; R791-G794 PolarHBondContact O-N 3.07Å; R791-E795 PolarHBondContact O-N 2.87Å |
| 792 | N | 70.5 | Confident | 63.3 | Low | 96 Ų | 96 | 103.2 Ų | 103.2 | 51% | 0.513 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.5 | -39.8 | 178 | -70.4 | -3.4 | 0 | 0 | 0 | 112.3 | A788 E789 E795 E796 | A788-N792 PolarHBondContact O-N 2.89Å; E789-N792 PolarHBondContact O-N 3.4Å; E789-N792 VanDerWaalsContact O-N 3.11Å; N792-E795 PolarHBondContact O-N 3.47Å; N792-E796 PolarHBondContact O-N 3.46Å |
| 793 | W | 53.1 | Low | 61.5 | Low | 187 Ų | 187 | 100.7 Ų | 100.7 | 71% | 0.708 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -68.3 | -35.2 | 177 | -77.4 | 57.7 | 0 | 0 | 0 | 112.3 | E789 R791 E796 L797 | E789-W793 PolarHBondContact O-N 2.91Å; R791-W793 VanDerWaalsContact C-N 3.33Å; R791-W793 PolarHBondContact O-N 3.1Å; W793-E796 PolarHBondContact O-N 2.9Å; W793-L797 PolarHBondContact O-N 3.03Å; W793-L797 VanDerWaalsContact O-N 3.11Å |
| 794 | G | 58.9 | Low | 59.8 | Low | 43 Ų | 43 | 104.2 Ų | 104.2 | 44% | 0.443 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64 | -40.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R790 R791 A798 | R790-G794 PolarHBondContact O-N 3.25Å; R791-G794 PolarHBondContact O-N 3.07Å; G794-A798 PolarHBondContact O-N 3.35Å; G794-A798 VanDerWaalsContact O-N 3.17Å |
| 795 | E | 63.9 | Low | 57.9 | Low | 99 Ų | 99 | 104.9 Ų | 104.9 | 46% | 0.463 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68.1 | -37.7 | 176.5 | -72.2 | 177.1 | -166.5 | 0 | 0 | 112.5 | R791 N792 A798 K799 | R791-E795 PolarHBondContact O-N 2.87Å; N792-E795 PolarHBondContact O-N 3.47Å; E795-A798 PolarHBondContact O-N 3.32Å; E795-K799 WeakPolarHBondContact O-CG 3.36Å; E795-K799 PolarHBondContact O-N 3Å |
| 796 | E | 53.9 | Low | 56 | Low | 98 Ų | 98 | 109.7 Ų | 109.7 | 46% | 0.458 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -72.4 | -35.8 | 179.9 | -156.9 | 59.8 | -155.2 | 0 | 0 | 112.4 | N792 W793 A798 K799 Q800 | N792-E796 PolarHBondContact O-N 3.46Å; W793-E796 PolarHBondContact O-N 2.9Å; E796-A798 VanDerWaalsContact C-N 3.34Å; E796-K799 PolarHBondContact O-N 3.47Å; E796-K799 IonicContact OE2-NZ 3.96Å; E796-Q800 WeakPolarHBondContact O-CG 3.49Å; E796-Q800 PolarHBondContact O-N 2.94Å |
| 797 | L | 43.4 | Very low | 54.2 | Low | 120 Ų | 120 | 110.6 Ų | 110.6 | 63% | 0.628 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -62.7 | -39.7 | 170.3 | -91.4 | 158.3 | 0 | 0 | 0 | 112.1 | W793 Q800 G801 | W793-L797 PolarHBondContact O-N 3.03Å; W793-L797 VanDerWaalsContact O-N 3.11Å; L797-Q800 PolarHBondContact O-N 3.28Å; L797-G801 PolarHBondContact O-N 2.97Å; L797-G801 VanDerWaalsContact O-N 3.16Å |
| 798 | A | 51.9 | Low | 52.3 | Low | 70 Ų | 70 | 115 Ų | 115 | 58% | 0.579 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66.3 | -38.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | G794 E795 E796 G801 S802 | G794-A798 PolarHBondContact O-N 3.35Å; G794-A798 VanDerWaalsContact O-N 3.17Å; E795-A798 PolarHBondContact O-N 3.32Å; E796-A798 VanDerWaalsContact C-N 3.34Å; A798-G801 PolarHBondContact O-N 3.42Å; A798-S802 PolarHBondContact O-N 2.88Å |
| 799 | K | 51.8 | Low | 50.6 | Low | 123 Ų | 123 | 113.5 Ų | 113.5 | 54% | 0.535 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65 | -43.5 | 175.6 | -78.9 | 176.3 | -176.5 | 167 | 0 | 112.4 | E795 E796 G801 S802 A803 | E795-K799 WeakPolarHBondContact O-CG 3.36Å; E795-K799 PolarHBondContact O-N 3Å; E796-K799 PolarHBondContact O-N 3.47Å; E796-K799 IonicContact OE2-NZ 3.96Å; K799-G801 VanDerWaalsContact C-N 3.29Å; K799-G801 PolarHBondContact O-N 3.38Å; K799-S802 PolarHBondContact O-N 3.08Å; K799-S802 VanDerWaalsContact O-N 3.12Å; K799-S802 PolarHBondContact O-OG 3.31Å; K799-A803 PolarHBondContact O-N 3.29Å |
| 800 | Q | 37.9 | Very low | 49.1 | Very low | 131 Ų | 131 | 117.2 Ų | 117.2 | 61% | 0.612 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -63.1 | -35 | 176.7 | -72.2 | -176.1 | 1.7 | 0 | 0 | 112.4 | E796 L797 S802 A803 | E796-Q800 WeakPolarHBondContact O-CG 3.49Å; E796-Q800 PolarHBondContact O-N 2.94Å; L797-Q800 PolarHBondContact O-N 3.28Å; Q800-S802 VanDerWaalsContact C-N 3.3Å; Q800-S802 PolarHBondContact O-N 3.14Å; Q800-A803 PolarHBondContact O-N 2.96Å |
| 801 | G | 44.3 | Very low | 47.8 | Very low | 58 Ų | 58 | 115.1 Ų | 115.1 | 60% | 0.598 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65 | -29.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L797 A798 K799 | L797-G801 PolarHBondContact O-N 2.97Å; L797-G801 VanDerWaalsContact O-N 3.16Å; A798-G801 PolarHBondContact O-N 3.42Å; K799-G801 VanDerWaalsContact C-N 3.29Å; K799-G801 PolarHBondContact O-N 3.38Å |
| 802 | S | 49.3 | Very low | 46.4 | Very low | 71 Ų | 71 | 113.4 Ų | 113.4 | 50% | 0.497 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -79.8 | -25.1 | -179.5 | 81.2 | 0 | 0 | 0 | 0 | 113.9 | A798 K799 Q800 L804 A805 | A798-S802 PolarHBondContact O-N 2.88Å; K799-S802 PolarHBondContact O-N 3.08Å; K799-S802 VanDerWaalsContact O-N 3.12Å; K799-S802 PolarHBondContact O-OG 3.31Å; Q800-S802 VanDerWaalsContact C-N 3.3Å; Q800-S802 PolarHBondContact O-N 3.14Å; S802-L804 PolarHBondContact O-N 3.18Å; S802-A805 PolarHBondContact O-N 3.29Å; S802-A805 VanDerWaalsContact O-N 3.11Å |
| 803 | A | 41.3 | Very low | 45.2 | Very low | 54 Ų | 54 | 110.6 Ų | 110.6 | 45% | 0.446 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -64.4 | -25 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | K799 Q800 Q806 | K799-A803 PolarHBondContact O-N 3.29Å; Q800-A803 PolarHBondContact O-N 2.96Å; A803-Q806 WeakPolarHBondContact O-CB 3.43Å |
| 804 | L | 39.3 | Very low | 44.5 | Very low | 158 Ų | 158 | 110.2 Ų | 110.2 | 83% | 0.827 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -17.2 | 177.3 | -104.6 | 138.5 | 0 | 0 | 0 | 114.2 | S802 Q806 | S802-L804 PolarHBondContact O-N 3.18Å; L804-Q806 VanDerWaalsContact C-N 3.27Å |
| 805 | A | 38.8 | Very low | 43.7 | Very low | 72 Ų | 72 | 114.1 Ų | 114.1 | 60% | 0.595 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -16.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112 | S802 D807 R808 | S802-A805 PolarHBondContact O-N 3.29Å; S802-A805 VanDerWaalsContact O-N 3.11Å; A805-D807 PolarHBondContact O-N 2.99Å; A805-R808 PolarHBondContact O-N 2.96Å |
| 806 | Q | 41.2 | Very low | 43.3 | Very low | 140 Ų | 140 | 113 Ų | 113 | 65% | 0.654 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.9 | -25.3 | -166.1 | -156.1 | 169.9 | 3.6 | 0 | 0 | 114 | A803 L804 R808 G809 | A803-Q806 WeakPolarHBondContact O-CB 3.43Å; L804-Q806 VanDerWaalsContact C-N 3.27Å; Q806-R808 VanDerWaalsContact C-N 3.25Å; Q806-R808 PolarHBondContact O-N 3.49Å; Q806-G809 PolarHBondContact O-N 3.31Å |
| 807 | D | 37.9 | Very low | 43.5 | Very low | 123 Ų | 123 | 110.5 Ų | 110.5 | 66% | 0.658 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | -21.6 | 177.1 | -82.4 | -28.6 | 0 | 0 | 0 | 113.3 | A805 | A805-D807 PolarHBondContact O-N 2.99Š|
| 808 | R | 35.3 | Very low | 43.4 | Very low | 229 Ų | 229 | 111.6 Ų | 111.6 | 86% | 0.864 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -25.2 | 177.1 | -174.1 | 171.8 | 165.1 | 160.8 | -4 | 112.7 | A805 Q806 R810 | A805-R808 PolarHBondContact O-N 2.96Å; Q806-R808 VanDerWaalsContact C-N 3.25Å; Q806-R808 PolarHBondContact O-N 3.49Å; R808-R810 VanDerWaalsContact C-N 3.29Å; R808-R810 PolarHBondContact O-N 3.42Å |
| 809 | G | 41 | Very low | 43.4 | Very low | 18 Ų | 18 | 114.5 Ų | 114.5 | 19% | 0.186 | 59% | 0.592 | C | S | . | * | G | 310 helix | trans | -76.9 | -10.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q806 L811 E812 A813 | Q806-G809 PolarHBondContact O-N 3.31Å; G809-L811 PolarHBondContact O-N 2.97Å; G809-E812 CarbonylContact O-C 3.56Å; G809-E812 WeakPolarHBondContact O-CA 3.5Å; G809-E812 WeakPolarHBondContact O-CB 3.37Å; G809-E812 PolarHBondContact O-N 3.37Å; G809-A813 WeakPolarHBondContact O-CB 3.46Å; G809-A813 PolarHBondContact O-N 3.46Å |
| 810 | R | 40.1 | Very low | 43.9 | Very low | 191 Ų | 191 | 112.7 Ų | 112.7 | 72% | 0.721 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -58.8 | -13 | -173.6 | -130.3 | 178.7 | -174.9 | -175.6 | 3.5 | 115.9 | R808 A813 | R808-R810 VanDerWaalsContact C-N 3.29Å; R808-R810 PolarHBondContact O-N 3.42Å; R810-A813 WeakPolarHBondContact O-CB 3.26Å |
| 811 | L | 36.6 | Very low | 45.5 | Very low | 163 Ų | 163 | 112.7 Ų | 112.7 | 85% | 0.853 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -107 | -22.2 | 174.5 | -69.7 | 172.8 | 0 | 0 | 0 | 113.3 | G809 | G809-L811 PolarHBondContact O-N 2.97Š|
| 812 | E | 45 | Very low | 46.3 | Very low | 137 Ų | 137 | 115.1 Ų | 115.1 | 64% | 0.64 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -66.9 | -33.2 | 159.5 | -69.8 | 170.9 | 171.5 | 0 | 0 | 109.2 | G809 K814 I815 E816 | G809-E812 CarbonylContact O-C 3.56Å; G809-E812 WeakPolarHBondContact O-CA 3.5Å; G809-E812 WeakPolarHBondContact O-CB 3.37Å; G809-E812 PolarHBondContact O-N 3.37Å; E812-K814 PolarHBondContact O-N 2.96Å; E812-I815 PolarHBondContact O-N 2.9Å; E812-E816 VanDerWaalsContact C-CB 3.49Å; E812-E816 WeakPolarHBondContact O-CA 3.49Å; E812-E816 WeakPolarHBondContact O-CB 3.41Å; E812-E816 PolarHBondContact O-N 2.94Å |
| 813 | A | 44.2 | Very low | 47.3 | Very low | 38 Ų | 38 | 114 Ų | 114 | 31% | 0.314 | 58% | 0.581 | S | S | . | * | G | 310 helix | trans | -52.9 | -1.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | G809 R810 A817 | G809-A813 WeakPolarHBondContact O-CB 3.46Å; G809-A813 PolarHBondContact O-N 3.46Å; R810-A813 WeakPolarHBondContact O-CB 3.26Å; A813-A817 WeakPolarHBondContact O-CB 3.43Å; A813-A817 PolarHBondContact O-N 2.95Å |
| 814 | K | 38.6 | Very low | 48.9 | Very low | 178 Ų | 178 | 113 Ų | 113 | 77% | 0.774 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -104 | -37.1 | 170.7 | -97.9 | -175.4 | 177 | -180 | 0 | 113.7 | E812 A817 | E812-K814 PolarHBondContact O-N 2.96Å; K814-A817 PolarHBondContact O-N 3.45Å |
| 815 | I | 43.1 | Very low | 50.4 | Low | 125 Ų | 125 | 111.1 Ų | 111.1 | 64% | 0.641 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -78.1 | -43.7 | 170 | -65 | 175.3 | 0 | 0 | 0 | 108 | E812 A817 Q818 E819 | E812-I815 PolarHBondContact O-N 2.9Å; I815-A817 PolarHBondContact O-N 3.32Å; I815-Q818 PolarHBondContact O-N 2.88Å; I815-E819 PolarHBondContact O-N 3.46Å |
| 816 | E | 53.5 | Low | 52.1 | Low | 76 Ų | 76 | 114.5 Ų | 114.5 | 36% | 0.355 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.1 | -25.1 | 166.3 | -154.7 | -160.8 | 173.2 | 0 | 0 | 111.2 | E812 Q818 E819 L820 | E812-E816 VanDerWaalsContact C-CB 3.49Å; E812-E816 WeakPolarHBondContact O-CA 3.49Å; E812-E816 WeakPolarHBondContact O-CB 3.41Å; E812-E816 PolarHBondContact O-N 2.94Å; E816-Q818 PolarHBondContact O-N 3.11Å; E816-E819 CarbonylContact O-C 3.58Å; E816-L820 HydrophobicContact CB-CD1 4.2Å; E816-L820 HydrophobicContact CG-CD1 3.57Å; E816-L820 HydrophobicContact CG-CG 3.81Å; E816-L820 VanDerWaalsContact O-CA 3.23Å; E816-L820 WeakPolarHBondContact O-CA 3.49Å; E816-L820 WeakPolarHBondContact O-CB 3.39Å; E816-L820 VanDerWaalsContact O-CD1 3.28Å; E816-L820 WeakPolarHBondContact O-CD1 3.5Å; E816-L820 WeakPolarHBondContact O-CG 3.46Å; E816-L820 PolarHBondContact O-N 2.94Å |
| 817 | A | 59.8 | Low | 53.9 | Low | 46 Ų | 46 | 114.1 Ų | 114.1 | 38% | 0.38 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.9 | -40.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A813 K814 I815 E821 | A813-A817 WeakPolarHBondContact O-CB 3.43Å; A813-A817 PolarHBondContact O-N 2.95Å; K814-A817 PolarHBondContact O-N 3.45Å; I815-A817 PolarHBondContact O-N 3.32Å; A817-E821 WeakPolarHBondContact O-CB 3.48Å; A817-E821 PolarHBondContact O-N 3.43Å |
| 818 | Q | 40.5 | Very low | 55.9 | Low | 142 Ų | 142 | 111.2 Ų | 111.2 | 66% | 0.664 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -80.1 | -36.3 | 179.2 | -64.3 | -171.8 | -58.2 | 0 | 0 | 111 | I815 E816 L820 E821 I822 | I815-Q818 PolarHBondContact O-N 2.88Å; E816-Q818 PolarHBondContact O-N 3.11Å; Q818-L820 VanDerWaalsContact C-N 3.34Å; Q818-E821 PolarHBondContact O-N 2.92Å; Q818-I822 PolarHBondContact O-N 3.42Å; Q818-I822 VanDerWaalsContact O-N 3.12Å |
| 819 | E | 52.3 | Low | 58.1 | Low | 131 Ų | 131 | 106.2 Ų | 106.2 | 61% | 0.612 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -69 | -30 | 170 | -68 | -176.3 | 159.1 | 0 | 0 | 112.3 | I815 E816 A823 | I815-E819 PolarHBondContact O-N 3.46Å; E816-E819 CarbonylContact O-C 3.58Å; E819-A823 WeakPolarHBondContact O-CA 3.45Å; E819-A823 WeakPolarHBondContact O-CB 3.46Å; E819-A823 PolarHBondContact O-N 2.86Å |
| 820 | L | 62.6 | Low | 60 | Low | 86 Ų | 86 | 111 Ų | 111 | 45% | 0.45 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -79.2 | -25.3 | 172.1 | -81.9 | 160.7 | 0 | 0 | 0 | 112.1 | E816 Q818 G824 | E816-L820 HydrophobicContact CB-CD1 4.2Å; E816-L820 HydrophobicContact CG-CD1 3.57Å; E816-L820 HydrophobicContact CG-CG 3.81Å; E816-L820 VanDerWaalsContact O-CA 3.23Å; E816-L820 WeakPolarHBondContact O-CA 3.49Å; E816-L820 WeakPolarHBondContact O-CB 3.39Å; E816-L820 VanDerWaalsContact O-CD1 3.28Å; E816-L820 WeakPolarHBondContact O-CD1 3.5Å; E816-L820 WeakPolarHBondContact O-CG 3.46Å; E816-L820 PolarHBondContact O-N 2.94Å; Q818-L820 VanDerWaalsContact C-N 3.34Å; L820-G824 WeakPolarHBondContact O-CA 3.31Å; L820-G824 PolarHBondContact O-N 3.32Å |
| 821 | E | 69.8 | Low | 62 | Low | 131 Ų | 131 | 106.1 Ų | 106.1 | 61% | 0.612 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -70.7 | -44.9 | 171 | -170 | 173.1 | -165.4 | 0 | 0 | 108.8 | A817 Q818 G824 L825 | A817-E821 WeakPolarHBondContact O-CB 3.48Å; A817-E821 PolarHBondContact O-N 3.43Å; Q818-E821 PolarHBondContact O-N 2.92Å; E821-G824 PolarHBondContact O-N 3.33Å; E821-L825 VanDerWaalsContact O-CB 3.3Å; E821-L825 WeakPolarHBondContact O-CB 3.47Å; E821-L825 VanDerWaalsContact O-CG 3.26Å; E821-L825 WeakPolarHBondContact O-CG 3.34Å; E821-L825 PolarHBondContact O-N 2.96Å |
| 822 | I | 61.7 | Low | 64.1 | Low | 108 Ų | 108 | 103.3 Ų | 103.3 | 55% | 0.554 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -68.6 | -44.2 | 174.8 | -64.9 | 174.4 | 0 | 0 | 0 | 111.3 | Q818 G824 K826 | Q818-I822 PolarHBondContact O-N 3.42Å; Q818-I822 VanDerWaalsContact O-N 3.12Å; I822-G824 VanDerWaalsContact C-N 3.32Å; I822-K826 VanDerWaalsContact O-CB 3.32Å; I822-K826 WeakPolarHBondContact O-CB 3.41Å; I822-K826 WeakPolarHBondContact O-CG 3.32Å; I822-K826 PolarHBondContact O-N 2.77Å |
| 823 | A | 70 | Confident | 65.9 | Low | 48 Ų | 48 | 100.7 Ų | 100.7 | 40% | 0.397 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -71.3 | -29.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | E819 K827 | E819-A823 WeakPolarHBondContact O-CA 3.45Å; E819-A823 WeakPolarHBondContact O-CB 3.46Å; E819-A823 PolarHBondContact O-N 2.86Å; A823-K827 WeakPolarHBondContact O-CA 3.27Å; A823-K827 WeakPolarHBondContact O-CB 3.48Å; A823-K827 PolarHBondContact O-N 2.93Å |
| 824 | G | 75.7 | Confident | 67.8 | Low | 32 Ų | 32 | 101.9 Ų | 101.9 | 33% | 0.33 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -74.6 | -41.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L820 E821 I822 K827 S828 | L820-G824 WeakPolarHBondContact O-CA 3.31Å; L820-G824 PolarHBondContact O-N 3.32Å; E821-G824 PolarHBondContact O-N 3.33Å; I822-G824 VanDerWaalsContact C-N 3.32Å; G824-K827 PolarHBondContact O-N 3.49Å; G824-S828 WeakPolarHBondContact O-CA 3.45Å; G824-S828 WeakPolarHBondContact O-CB 3.47Å; G824-S828 PolarHBondContact O-N 2.97Å |
| 825 | L | 69.7 | Low | 70 | Confident | 119 Ų | 119 | 95 Ų | 95 | 62% | 0.623 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.9 | -40.8 | 169.3 | -73.3 | 174.8 | 0 | 0 | 0 | 111.2 | E821 S828 L829 | E821-L825 VanDerWaalsContact O-CB 3.3Å; E821-L825 WeakPolarHBondContact O-CB 3.47Å; E821-L825 VanDerWaalsContact O-CG 3.26Å; E821-L825 WeakPolarHBondContact O-CG 3.34Å; E821-L825 PolarHBondContact O-N 2.96Å; L825-S828 PolarHBondContact O-N 3.24Å; L825-L829 WeakPolarHBondContact O-CB 3.49Å; L825-L829 PolarHBondContact O-N 3.41Å |
| 826 | K | 75.2 | Confident | 71.9 | Confident | 143 Ų | 143 | 93 Ų | 93 | 62% | 0.622 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.9 | -43.6 | 172.9 | -82.4 | -178 | 176.6 | -178.8 | 0 | 112.4 | I822 L829 E830 | I822-K826 VanDerWaalsContact O-CB 3.32Å; I822-K826 WeakPolarHBondContact O-CB 3.41Å; I822-K826 WeakPolarHBondContact O-CG 3.32Å; I822-K826 PolarHBondContact O-N 2.77Å; K826-L829 CarbonylContact O-C 3.16Å; K826-L829 WeakPolarHBondContact O-CB 3.13Å; K826-L829 PolarHBondContact O-N 3.34Å; K826-E830 VanDerWaalsContact O-CB 3.24Å; K826-E830 WeakPolarHBondContact O-CB 3.39Å; K826-E830 PolarHBondContact O-N 3.35Å |
| 827 | K | 78.7 | Confident | 73.5 | Confident | 132 Ų | 132 | 94.7 Ų | 94.7 | 57% | 0.574 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -70.2 | -36.2 | 178 | -174.6 | 176.1 | -173.7 | 176.2 | 0 | 111.3 | A823 G824 E830 N831 | A823-K827 WeakPolarHBondContact O-CA 3.27Å; A823-K827 WeakPolarHBondContact O-CB 3.48Å; A823-K827 PolarHBondContact O-N 2.93Å; G824-K827 PolarHBondContact O-N 3.49Å; K827-E830 PolarHBondContact O-N 3.13Å; K827-N831 WeakPolarHBondContact O-CB 3.36Å; K827-N831 PolarHBondContact O-N 3.38Å; K827-N831 PolarHBondContact O-ND2 2.98Å; K827-N831 PolarHBondContact O-OD1 2.99Å |
| 828 | S | 79.6 | Confident | 74.7 | Confident | 62 Ų | 62 | 97.9 Ų | 97.9 | 43% | 0.434 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.1 | -40.9 | 172.9 | -158.4 | 0 | 0 | 0 | 0 | 110.1 | G824 L825 E830 E832 | G824-S828 WeakPolarHBondContact O-CA 3.45Å; G824-S828 WeakPolarHBondContact O-CB 3.47Å; G824-S828 PolarHBondContact O-N 2.97Å; L825-S828 PolarHBondContact O-N 3.24Å; S828-E830 VanDerWaalsContact C-N 3.34Å; S828-E832 VanDerWaalsContact O-CB 3.28Å; S828-E832 WeakPolarHBondContact O-CB 3.36Å; S828-E832 VanDerWaalsContact O-CG 3.26Å; S828-E832 WeakPolarHBondContact O-CG 3.35Å; S828-E832 PolarHBondContact O-N 3.48Å |
| 829 | L | 81.9 | Confident | 77 | Confident | 124 Ų | 124 | 96.8 Ų | 96.8 | 65% | 0.649 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.1 | -38.8 | 172.6 | -177.5 | 67.4 | 0 | 0 | 0 | 111.6 | L825 K826 N833 | L825-L829 WeakPolarHBondContact O-CB 3.49Å; L825-L829 PolarHBondContact O-N 3.41Å; K826-L829 CarbonylContact O-C 3.16Å; K826-L829 WeakPolarHBondContact O-CB 3.13Å; K826-L829 PolarHBondContact O-N 3.34Å; L829-N833 WeakPolarHBondContact O-CB 3.47Å; L829-N833 PolarHBondContact O-N 3.04Å |
| 830 | E | 81.6 | Confident | 78.6 | Confident | 119 Ų | 119 | 93.3 Ų | 93.3 | 56% | 0.556 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -71.2 | -43.1 | 177.5 | -170.5 | 167 | -148.8 | 0 | 0 | 111.6 | K826 K827 S828 E832 N833 D834 | K826-E830 VanDerWaalsContact O-CB 3.24Å; K826-E830 WeakPolarHBondContact O-CB 3.39Å; K826-E830 PolarHBondContact O-N 3.35Å; K827-E830 PolarHBondContact O-N 3.13Å; S828-E830 VanDerWaalsContact C-N 3.34Å; E830-E832 PolarHBondContact O-N 2.94Å; E830-N833 CarbonylContact O-C 3.54Å; E830-N833 WeakPolarHBondContact O-CB 3.33Å; E830-N833 PolarHBondContact O-N 3.35Å; E830-D834 WeakPolarHBondContact O-CB 3.48Å; E830-D834 PolarHBondContact O-N 3.2Å |
| 831 | N | 81.5 | Confident | 80 | Confident | 88 Ų | 88 | 95.6 Ų | 95.6 | 47% | 0.471 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.9 | -42.5 | 172.3 | -70.6 | -16.7 | 0 | 0 | 0 | 111.3 | K827 D834 S835 | K827-N831 WeakPolarHBondContact O-CB 3.36Å; K827-N831 PolarHBondContact O-N 3.38Å; K827-N831 PolarHBondContact O-ND2 2.98Å; K827-N831 PolarHBondContact O-OD1 2.99Å; N831-D834 PolarHBondContact O-N 2.9Å; N831-S835 WeakPolarHBondContact O-CB 3.47Å; N831-S835 PolarHBondContact O-N 2.79Å |
| 832 | E | 80.8 | Confident | 81 | Confident | 105 Ų | 105 | 92.5 Ų | 92.5 | 49% | 0.491 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.5 | -37.8 | 174.5 | -74.6 | -55.6 | 143.1 | 0 | 0 | 111 | S828 E830 S835 V836 | S828-E832 VanDerWaalsContact O-CB 3.28Å; S828-E832 WeakPolarHBondContact O-CB 3.36Å; S828-E832 VanDerWaalsContact O-CG 3.26Å; S828-E832 WeakPolarHBondContact O-CG 3.35Å; S828-E832 PolarHBondContact O-N 3.48Å; E830-E832 PolarHBondContact O-N 2.94Å; E832-S835 WeakPolarHBondContact O-CB 3.48Å; E832-S835 PolarHBondContact O-N 3.21Å; E832-V836 WeakPolarHBondContact O-CB 3.48Å; E832-V836 WeakPolarHBondContact O-CG2 3.4Å; E832-V836 PolarHBondContact O-N 2.84Å |
| 833 | N | 82.9 | Confident | 82.2 | Confident | 81 Ų | 81 | 91.9 Ų | 91.9 | 43% | 0.433 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.6 | -40.1 | 174.2 | -171.9 | 39.5 | 0 | 0 | 0 | 111.4 | L829 E830 V836 K837 | L829-N833 WeakPolarHBondContact O-CB 3.47Å; L829-N833 PolarHBondContact O-N 3.04Å; E830-N833 CarbonylContact O-C 3.54Å; E830-N833 WeakPolarHBondContact O-CB 3.33Å; E830-N833 PolarHBondContact O-N 3.35Å; N833-V836 PolarHBondContact O-N 3.2Å; N833-K837 WeakPolarHBondContact ND2-CE 3.47Å; N833-K837 PolarHBondContact ND2-NZ 3.25Å; N833-K837 VanDerWaalsContact O-CG 3.29Å; N833-K837 WeakPolarHBondContact O-CG 3.31Å; N833-K837 PolarHBondContact O-N 3.16Å |
| 834 | D | 84.4 | Confident | 83 | Confident | 63 Ų | 63 | 94 Ų | 94 | 34% | 0.337 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -72.4 | -37.3 | 175.4 | -73 | -14.8 | 0 | 0 | 0 | 111.6 | E830 N831 V836 K837 I838 | E830-D834 WeakPolarHBondContact O-CB 3.48Å; E830-D834 PolarHBondContact O-N 3.2Å; N831-D834 PolarHBondContact O-N 2.9Å; D834-V836 VanDerWaalsContact C-N 3.31Å; D834-V836 PolarHBondContact O-N 2.76Å; D834-K837 PolarHBondContact O-N 3.22Å; D834-K837 IonicContact OD1-NZ 2.82Å; D834-K837 PolarHBondContact OD1-NZ 2.92Å; D834-I838 WeakPolarHBondContact O-CB 3.24Å; D834-I838 WeakPolarHBondContact O-CG1 3.39Å; D834-I838 PolarHBondContact O-N 3.39Å |
| 835 | S | 85.5 | Confident | 83.7 | Confident | 33 Ų | 33 | 96.2 Ų | 96.2 | 23% | 0.231 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -58.4 | -43.4 | 168.6 | 176.6 | 0 | 0 | 0 | 0 | 110.9 | N831 E832 I838 K839 | N831-S835 WeakPolarHBondContact O-CB 3.47Å; N831-S835 PolarHBondContact O-N 2.79Å; E832-S835 WeakPolarHBondContact O-CB 3.48Å; E832-S835 PolarHBondContact O-N 3.21Å; S835-I838 PolarHBondContact O-N 3.37Å; S835-K839 VanDerWaalsContact O-CB 3.32Å; S835-K839 WeakPolarHBondContact O-CB 3.33Å; S835-K839 WeakPolarHBondContact O-CG 3.5Å; S835-K839 PolarHBondContact O-N 3.4Å; S835-K839 WeakPolarHBondContact OG-CE 3.28Å; S835-K839 PolarHBondContact OG-NZ 2.93Å |
| 836 | V | 81.5 | Confident | 84.7 | Confident | 84 Ų | 84 | 96 Ų | 96 | 51% | 0.509 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.2 | -42.6 | 174.5 | 168.8 | 0 | 0 | 0 | 0 | 111 | E832 N833 D834 K839 S840 | E832-V836 WeakPolarHBondContact O-CB 3.48Å; E832-V836 WeakPolarHBondContact O-CG2 3.4Å; E832-V836 PolarHBondContact O-N 2.84Å; N833-V836 PolarHBondContact O-N 3.2Å; D834-V836 VanDerWaalsContact C-N 3.31Å; D834-V836 PolarHBondContact O-N 2.76Å; V836-K839 PolarHBondContact O-N 2.99Å; V836-S840 VanDerWaalsContact O-CB 3.27Å; V836-S840 WeakPolarHBondContact O-CB 3.33Å; V836-S840 PolarHBondContact O-N 3.48Å |
| 837 | K | 88.2 | Confident | 85.3 | Confident | 111 Ų | 111 | 92.3 Ų | 92.3 | 48% | 0.483 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 174.6 | -73 | 172.6 | -158.6 | 155.8 | 0 | 112.1 | N833 D834 S840 K841 | N833-K837 WeakPolarHBondContact ND2-CE 3.47Å; N833-K837 PolarHBondContact ND2-NZ 3.25Å; N833-K837 VanDerWaalsContact O-CG 3.29Å; N833-K837 WeakPolarHBondContact O-CG 3.31Å; N833-K837 PolarHBondContact O-N 3.16Å; D834-K837 PolarHBondContact O-N 3.22Å; D834-K837 IonicContact OD1-NZ 2.82Å; D834-K837 PolarHBondContact OD1-NZ 2.92Å; K837-S840 PolarHBondContact O-N 2.88Å; K837-K841 WeakPolarHBondContact O-CB 3.34Å; K837-K841 PolarHBondContact O-N 3.27Å |
| 838 | I | 85.3 | Confident | 85.8 | Confident | 113 Ų | 113 | 91.5 Ų | 91.5 | 58% | 0.579 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64.7 | -47 | 177 | -68.8 | 163.7 | 0 | 0 | 0 | 109.5 | D834 S835 S840 K841 V842 | D834-I838 WeakPolarHBondContact O-CB 3.24Å; D834-I838 WeakPolarHBondContact O-CG1 3.39Å; D834-I838 PolarHBondContact O-N 3.39Å; S835-I838 PolarHBondContact O-N 3.37Å; I838-S840 VanDerWaalsContact C-N 3.35Å; I838-S840 PolarHBondContact O-N 3.4Å; I838-K841 PolarHBondContact O-N 2.89Å; I838-V842 HydrophobicContact CG2-CG2 4.37Å; I838-V842 WeakPolarHBondContact O-CB 3.41Å; I838-V842 VanDerWaalsContact O-CG2 3.29Å; I838-V842 WeakPolarHBondContact O-CG2 3.48Å; I838-V842 PolarHBondContact O-N 2.66Å |
| 839 | K | 89.1 | Confident | 86.3 | Confident | 120 Ų | 120 | 92.4 Ų | 92.4 | 52% | 0.522 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.8 | -43.3 | 175.6 | -74 | 168.9 | -173.9 | 168 | 0 | 111.5 | S835 V836 V842 I843 | S835-K839 VanDerWaalsContact O-CB 3.32Å; S835-K839 WeakPolarHBondContact O-CB 3.33Å; S835-K839 WeakPolarHBondContact O-CG 3.5Å; S835-K839 PolarHBondContact O-N 3.4Å; S835-K839 WeakPolarHBondContact OG-CE 3.28Å; S835-K839 PolarHBondContact OG-NZ 2.93Å; V836-K839 PolarHBondContact O-N 2.99Å; K839-V842 PolarHBondContact O-N 3.28Å; K839-I843 WeakPolarHBondContact O-CB 3.39Å; K839-I843 VanDerWaalsContact O-CG1 3.23Å; K839-I843 WeakPolarHBondContact O-CG1 3.38Å; K839-I843 PolarHBondContact O-N 3.48Å |
| 840 | S | 85.7 | Confident | 86.6 | Confident | 58 Ų | 58 | 91 Ų | 91 | 41% | 0.406 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.2 | -48.5 | 174.9 | -167.4 | 0 | 0 | 0 | 0 | 110.3 | V836 K837 I838 V842 I843 D844 | V836-S840 VanDerWaalsContact O-CB 3.27Å; V836-S840 WeakPolarHBondContact O-CB 3.33Å; V836-S840 PolarHBondContact O-N 3.48Å; K837-S840 PolarHBondContact O-N 2.88Å; I838-S840 VanDerWaalsContact C-N 3.35Å; I838-S840 PolarHBondContact O-N 3.4Å; S840-V842 PolarHBondContact O-N 3.08Å; S840-I843 CarbonylContact O-C 3.25Å; S840-I843 WeakPolarHBondContact O-CB 3.48Å; S840-I843 PolarHBondContact O-N 3.3Å; S840-I843 VanDerWaalsContact O-N 3.14Å; S840-D844 PolarHBondContact O-N 3.06Å |
| 841 | K | 90.9 | Very high | 87 | Confident | 133 Ų | 133 | 90.5 Ų | 90.5 | 58% | 0.578 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -61.7 | -41.8 | 177 | -171.9 | 179.3 | 179.1 | -176.5 | 0 | 112.4 | K837 I838 I843 D844 D845 | K837-K841 WeakPolarHBondContact O-CB 3.34Å; K837-K841 PolarHBondContact O-N 3.27Å; I838-K841 PolarHBondContact O-N 2.89Å; K841-I843 VanDerWaalsContact C-N 3.32Å; K841-I843 PolarHBondContact O-N 3.48Å; K841-D844 PolarHBondContact O-N 3.35Å; K841-D845 WeakPolarHBondContact O-CB 3.47Å; K841-D845 PolarHBondContact O-N 3.35Å |
| 842 | V | 91.5 | Very high | 87.4 | Confident | 67 Ų | 67 | 90.6 Ų | 90.6 | 41% | 0.406 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.2 | -40 | 175 | 169.1 | 0 | 0 | 0 | 0 | 110.9 | I838 K839 S840 Q846 | I838-V842 HydrophobicContact CG2-CG2 4.37Å; I838-V842 WeakPolarHBondContact O-CB 3.41Å; I838-V842 VanDerWaalsContact O-CG2 3.29Å; I838-V842 WeakPolarHBondContact O-CG2 3.48Å; I838-V842 PolarHBondContact O-N 2.66Å; K839-V842 PolarHBondContact O-N 3.28Å; S840-V842 PolarHBondContact O-N 3.08Å; V842-Q846 HydrophobicContact CG1-CG 4.38Å; V842-Q846 VanDerWaalsContact O-CB 3.25Å; V842-Q846 WeakPolarHBondContact O-CB 3.29Å; V842-Q846 WeakPolarHBondContact O-CG 3.44Å; V842-Q846 PolarHBondContact O-N 3.04Å |
| 843 | I | 86.9 | Confident | 87.9 | Confident | 95 Ų | 95 | 90.3 Ų | 90.3 | 49% | 0.487 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.8 | -42.3 | 174.5 | -70.5 | 164.9 | 0 | 0 | 0 | 110.2 | K839 S840 K841 Q846 T847 | K839-I843 WeakPolarHBondContact O-CB 3.39Å; K839-I843 VanDerWaalsContact O-CG1 3.23Å; K839-I843 WeakPolarHBondContact O-CG1 3.38Å; K839-I843 PolarHBondContact O-N 3.48Å; S840-I843 CarbonylContact O-C 3.25Å; S840-I843 WeakPolarHBondContact O-CB 3.48Å; S840-I843 PolarHBondContact O-N 3.3Å; S840-I843 VanDerWaalsContact O-N 3.14Å; K841-I843 VanDerWaalsContact C-N 3.32Å; K841-I843 PolarHBondContact O-N 3.48Å; I843-Q846 PolarHBondContact O-N 2.98Å; I843-T847 VanDerWaalsContact O-CB 3.22Å; I843-T847 WeakPolarHBondContact O-CB 3.29Å; I843-T847 PolarHBondContact O-N 2.83Å; I843-T847 PolarHBondContact O-OG1 3.34Å |
| 844 | D | 87.1 | Confident | 88.3 | Confident | 93 Ų | 93 | 93.3 Ų | 93.3 | 50% | 0.497 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.1 | -48.1 | 177.4 | -63.9 | -31.2 | 0 | 0 | 0 | 110.6 | S840 K841 Q846 T847 E848 | S840-D844 PolarHBondContact O-N 3.06Å; K841-D844 PolarHBondContact O-N 3.35Å; D844-Q846 PolarHBondContact O-N 3.42Å; D844-T847 WeakPolarHBondContact O-CB 3.37Å; D844-T847 PolarHBondContact O-N 3.45Å; D844-T847 VanDerWaalsContact O-N 3.16Å; D844-E848 WeakPolarHBondContact O-CB 3.37Å; D844-E848 PolarHBondContact O-N 2.74Å |
| 845 | D | 89.7 | Confident | 88.6 | Confident | 77 Ų | 77 | 96.2 Ų | 96.2 | 41% | 0.412 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.6 | -41.6 | 176.5 | -67 | -17.1 | 0 | 0 | 0 | 111.3 | K841 T849 | K841-D845 WeakPolarHBondContact O-CB 3.47Å; K841-D845 PolarHBondContact O-N 3.35Å; D845-T849 WeakPolarHBondContact O-CB 3.37Å; D845-T849 PolarHBondContact O-N 2.99Å; D845-T849 PolarHBondContact O-OG1 3.47Å |
| 846 | Q | 90.5 | Very high | 88.8 | Confident | 114 Ų | 114 | 97.3 Ų | 97.3 | 53% | 0.533 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.4 | -40.5 | 174.4 | -77.8 | 178.4 | -7.5 | 0 | 0 | 111.7 | V842 I843 D844 T849 I850 | V842-Q846 HydrophobicContact CG1-CG 4.38Å; V842-Q846 VanDerWaalsContact O-CB 3.25Å; V842-Q846 WeakPolarHBondContact O-CB 3.29Å; V842-Q846 WeakPolarHBondContact O-CG 3.44Å; V842-Q846 PolarHBondContact O-N 3.04Å; I843-Q846 PolarHBondContact O-N 2.98Å; D844-Q846 PolarHBondContact O-N 3.42Å; Q846-T849 PolarHBondContact O-N 3.17Å; Q846-I850 WeakPolarHBondContact O-CB 3.49Å; Q846-I850 VanDerWaalsContact O-CG1 3.23Å; Q846-I850 WeakPolarHBondContact O-CG1 3.45Å; Q846-I850 PolarHBondContact O-N 3.13Å |
| 847 | T | 87.9 | Confident | 89.3 | Confident | 67 Ų | 67 | 97.7 Ų | 97.7 | 41% | 0.411 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.1 | -42.9 | 178.3 | -60 | 0 | 0 | 0 | 0 | 110.3 | I843 D844 I850 L851 | I843-T847 VanDerWaalsContact O-CB 3.22Å; I843-T847 WeakPolarHBondContact O-CB 3.29Å; I843-T847 PolarHBondContact O-N 2.83Å; I843-T847 PolarHBondContact O-OG1 3.34Å; D844-T847 WeakPolarHBondContact O-CB 3.37Å; D844-T847 PolarHBondContact O-N 3.45Å; D844-T847 VanDerWaalsContact O-N 3.16Å; T847-I850 PolarHBondContact O-N 3.44Å; T847-L851 HydrophobicContact CG2-CD1 4.28Å; T847-L851 WeakPolarHBondContact O-CB 3.34Å; T847-L851 WeakPolarHBondContact O-CG 3.4Å; T847-L851 PolarHBondContact O-N 2.86Å |
| 848 | E | 88.7 | Confident | 89.4 | Confident | 115 Ų | 115 | 98.6 Ų | 98.6 | 54% | 0.537 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.8 | -43.2 | 173.5 | -171.7 | 176.2 | -174.1 | 0 | 0 | 111.3 | D844 I850 L851 N852 | D844-E848 WeakPolarHBondContact O-CB 3.37Å; D844-E848 PolarHBondContact O-N 2.74Å; E848-I850 PolarHBondContact O-N 2.93Å; E848-L851 PolarHBondContact O-N 3.45Å; E848-N852 WeakPolarHBondContact O-CB 3.29Å; E848-N852 VanDerWaalsContact O-CG 3.31Å; E848-N852 PolarHBondContact O-N 3.05Å; E848-N852 PolarHBondContact O-ND2 2.94Å |
| 849 | T | 90 | Very high | 89.7 | Confident | 80 Ų | 80 | 98 Ų | 98 | 49% | 0.491 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 175.4 | -57.8 | 0 | 0 | 0 | 0 | 111.4 | D845 Q846 N852 L853 | D845-T849 WeakPolarHBondContact O-CB 3.37Å; D845-T849 PolarHBondContact O-N 2.99Å; D845-T849 PolarHBondContact O-OG1 3.47Å; Q846-T849 PolarHBondContact O-N 3.17Å; T849-N852 PolarHBondContact O-N 3.36Å; T849-L853 HydrophobicContact CG2-CD1 4.08Å; T849-L853 HydrophobicContact CG2-CG 4.46Å; T849-L853 WeakPolarHBondContact O-CB 3.36Å; T849-L853 VanDerWaalsContact O-CG 3.23Å; T849-L853 WeakPolarHBondContact O-CG 3.47Å; T849-L853 PolarHBondContact O-N 3.25Å |
| 850 | I | 89.8 | Confident | 89.8 | Confident | 96 Ų | 96 | 96.5 Ų | 96.5 | 49% | 0.492 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.6 | -41.6 | 177.2 | -69.7 | 164.9 | 0 | 0 | 0 | 111 | Q846 T847 E848 L853 K854 | Q846-I850 WeakPolarHBondContact O-CB 3.49Å; Q846-I850 VanDerWaalsContact O-CG1 3.23Å; Q846-I850 WeakPolarHBondContact O-CG1 3.45Å; Q846-I850 PolarHBondContact O-N 3.13Å; T847-I850 PolarHBondContact O-N 3.44Å; E848-I850 PolarHBondContact O-N 2.93Å; I850-L853 PolarHBondContact O-N 3.31Å; I850-K854 WeakPolarHBondContact O-CB 3.47Å; I850-K854 PolarHBondContact O-N 3.47Å |
| 851 | L | 89.1 | Confident | 90 | Very high | 107 Ų | 107 | 99.1 Ų | 99.1 | 56% | 0.56 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.1 | -46.5 | 175.6 | -85.7 | 166.3 | 0 | 0 | 0 | 111.3 | T847 E848 K854 K855 | T847-L851 HydrophobicContact CG2-CD1 4.28Å; T847-L851 WeakPolarHBondContact O-CB 3.34Å; T847-L851 WeakPolarHBondContact O-CG 3.4Å; T847-L851 PolarHBondContact O-N 2.86Å; E848-L851 PolarHBondContact O-N 3.45Å; L851-K854 PolarHBondContact O-N 2.87Å; L851-K855 WeakPolarHBondContact O-CB 3.38Å; L851-K855 PolarHBondContact O-N 3.31Å |
| 852 | N | 89.2 | Confident | 89.9 | Confident | 90 Ų | 90 | 96.7 Ų | 96.7 | 48% | 0.481 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.1 | -40.8 | 177.2 | -74 | -27.2 | 0 | 0 | 0 | 111.9 | E848 T849 K855 C856 | E848-N852 WeakPolarHBondContact O-CB 3.29Å; E848-N852 VanDerWaalsContact O-CG 3.31Å; E848-N852 PolarHBondContact O-N 3.05Å; E848-N852 PolarHBondContact O-ND2 2.94Å; T849-N852 PolarHBondContact O-N 3.36Å; N852-K855 PolarHBondContact O-N 2.65Å; N852-C856 WeakPolarHBondContact O-CB 3.26Å; N852-C856 PolarHBondContact O-N 3.4Å |
| 853 | L | 91.5 | Very high | 89.9 | Confident | 99 Ų | 99 | 96.8 Ų | 96.8 | 52% | 0.518 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.2 | -44.1 | 174.2 | -73.4 | 172.7 | 0 | 0 | 0 | 112 | T849 I850 K855 C856 I857 | T849-L853 HydrophobicContact CG2-CD1 4.08Å; T849-L853 HydrophobicContact CG2-CG 4.46Å; T849-L853 WeakPolarHBondContact O-CB 3.36Å; T849-L853 VanDerWaalsContact O-CG 3.23Å; T849-L853 WeakPolarHBondContact O-CG 3.47Å; T849-L853 PolarHBondContact O-N 3.25Å; I850-L853 PolarHBondContact O-N 3.31Å; L853-K855 VanDerWaalsContact C-N 3.33Å; L853-K855 PolarHBondContact O-N 3.07Å; L853-C856 PolarHBondContact O-N 3.29Å; L853-I857 WeakPolarHBondContact O-CB 3.48Å; L853-I857 VanDerWaalsContact O-CG1 3.24Å; L853-I857 WeakPolarHBondContact O-CG1 3.39Å; L853-I857 PolarHBondContact O-N 3.03Å |
| 854 | K | 91.7 | Very high | 90 | Very high | 144 Ų | 144 | 96.7 Ų | 96.7 | 63% | 0.626 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -59.6 | -44.9 | 174.8 | -89.5 | -173.6 | 173.7 | -178.2 | 0 | 111.3 | I850 L851 I857 Q858 | I850-K854 WeakPolarHBondContact O-CB 3.47Å; I850-K854 PolarHBondContact O-N 3.47Å; L851-K854 PolarHBondContact O-N 2.87Å; K854-I857 PolarHBondContact O-N 3.49Å; K854-Q858 WeakPolarHBondContact O-CB 3.38Å; K854-Q858 PolarHBondContact O-N 3.46Å |
| 855 | K | 91.3 | Very high | 90.1 | Very high | 124 Ų | 124 | 98.8 Ų | 98.8 | 54% | 0.539 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.8 | -48.8 | 175.8 | -174.7 | -178.4 | 175.9 | -174 | 0 | 111.1 | L851 N852 L853 I857 Q858 E859 | L851-K855 WeakPolarHBondContact O-CB 3.38Å; L851-K855 PolarHBondContact O-N 3.31Å; N852-K855 PolarHBondContact O-N 2.65Å; L853-K855 VanDerWaalsContact C-N 3.33Å; L853-K855 PolarHBondContact O-N 3.07Å; K855-I857 PolarHBondContact O-N 3.4Å; K855-Q858 PolarHBondContact O-N 2.99Å; K855-E859 WeakPolarHBondContact CE-OE1 3.49Å; K855-E859 WeakPolarHBondContact O-CG 3.29Å; K855-E859 PolarHBondContact O-N 3.11Å |
| 856 | C | 90.4 | Very high | 90.2 | Very high | 57 Ų | 57 | 101.8 Ų | 101.8 | 39% | 0.385 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.5 | -40.3 | 177.5 | -174.9 | 0 | 0 | 0 | 0 | 112.4 | N852 L853 N860 | N852-C856 WeakPolarHBondContact O-CB 3.26Å; N852-C856 PolarHBondContact O-N 3.4Å; L853-C856 PolarHBondContact O-N 3.29Å; C856-N860 WeakPolarHBondContact O-CB 3.48Å; C856-N860 PolarHBondContact O-N 2.87Å; C856-N860 PolarHBondContact O-ND2 2.8Å |
| 857 | I | 90 | Very high | 90.2 | Very high | 92 Ų | 92 | 100 Ų | 100 | 47% | 0.472 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.2 | -43.2 | 174.8 | -71 | 166.1 | 0 | 0 | 0 | 110.8 | L853 K854 K855 N860 Q861 | L853-I857 WeakPolarHBondContact O-CB 3.48Å; L853-I857 VanDerWaalsContact O-CG1 3.24Å; L853-I857 WeakPolarHBondContact O-CG1 3.39Å; L853-I857 PolarHBondContact O-N 3.03Å; K854-I857 PolarHBondContact O-N 3.49Å; K855-I857 PolarHBondContact O-N 3.4Å; I857-N860 PolarHBondContact O-N 3.08Å; I857-Q861 HydrophobicContact CG2-CG 4.43Å; I857-Q861 WeakPolarHBondContact O-CB 3.39Å; I857-Q861 VanDerWaalsContact O-CG 3.31Å; I857-Q861 WeakPolarHBondContact O-CG 3.32Å; I857-Q861 PolarHBondContact O-N 3.17Å |
| 858 | Q | 91.7 | Very high | 90.3 | Very high | 129 Ų | 129 | 102 Ų | 102 | 60% | 0.603 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.5 | -42.8 | 179 | -172.6 | 168.7 | -4.7 | 0 | 0 | 111.5 | K854 K855 Q861 T862 | K854-Q858 WeakPolarHBondContact O-CB 3.38Å; K854-Q858 PolarHBondContact O-N 3.46Å; K855-Q858 PolarHBondContact O-N 2.99Å; Q858-Q861 PolarHBondContact O-N 2.92Å; Q858-T862 WeakPolarHBondContact O-CG2 3.45Å; Q858-T862 PolarHBondContact O-N 3.36Å; Q858-T862 PolarHBondContact O-OG1 2.87Å |
| 859 | E | 91 | Very high | 90.3 | Very high | 100 Ų | 100 | 101.8 Ų | 101.8 | 47% | 0.467 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.3 | -46.9 | 173.2 | -73.2 | 169.7 | 178.1 | 0 | 0 | 111.3 | K855 Q861 T862 E863 | K855-E859 WeakPolarHBondContact CE-OE1 3.49Å; K855-E859 WeakPolarHBondContact O-CG 3.29Å; K855-E859 PolarHBondContact O-N 3.11Å; E859-Q861 VanDerWaalsContact C-N 3.35Å; E859-Q861 PolarHBondContact O-N 3.32Å; E859-T862 WeakPolarHBondContact CA-OG1 3.41Å; E859-T862 PolarHBondContact O-N 2.91Å; E859-T862 PolarHBondContact O-OG1 3.3Å; E859-E863 PolarHBondContact O-N 3.32Å |
| 860 | N | 91 | Very high | 90.3 | Very high | 89 Ų | 89 | 102.4 Ų | 102.4 | 48% | 0.476 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.4 | -40 | 175.6 | -72.7 | -26.4 | 0 | 0 | 0 | 112.3 | C856 I857 T862 E863 I864 | C856-N860 WeakPolarHBondContact O-CB 3.48Å; C856-N860 PolarHBondContact O-N 2.87Å; C856-N860 PolarHBondContact O-ND2 2.8Å; I857-N860 PolarHBondContact O-N 3.08Å; N860-T862 VanDerWaalsContact C-N 3.35Å; N860-E863 PolarHBondContact O-N 3.3Å; N860-I864 WeakPolarHBondContact O-CB 3.47Å; N860-I864 WeakPolarHBondContact O-CG1 3.35Å; N860-I864 PolarHBondContact O-N 2.87Å |
| 861 | Q | 91.1 | Very high | 90.3 | Very high | 113 Ų | 113 | 103 Ų | 103 | 53% | 0.528 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.6 | -39 | 175 | -77 | 177.8 | -8.8 | 0 | 0 | 111.9 | I857 Q858 E859 K865 | I857-Q861 HydrophobicContact CG2-CG 4.43Å; I857-Q861 WeakPolarHBondContact O-CB 3.39Å; I857-Q861 VanDerWaalsContact O-CG 3.31Å; I857-Q861 WeakPolarHBondContact O-CG 3.32Å; I857-Q861 PolarHBondContact O-N 3.17Å; Q858-Q861 PolarHBondContact O-N 2.92Å; E859-Q861 VanDerWaalsContact C-N 3.35Å; E859-Q861 PolarHBondContact O-N 3.32Å; Q861-K865 WeakPolarHBondContact O-CG 3.36Å; Q861-K865 PolarHBondContact O-N 2.9Å; Q861-K865 VanDerWaalsContact O-N 3.08Å |
| 862 | T | 88.6 | Confident | 90.4 | Very high | 83 Ų | 83 | 101.7 Ų | 101.7 | 51% | 0.509 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.1 | -39.5 | 174.4 | 52.7 | 0 | 0 | 0 | 0 | 111.9 | Q858 E859 N860 K865 R866 | Q858-T862 WeakPolarHBondContact O-CG2 3.45Å; Q858-T862 PolarHBondContact O-N 3.36Å; Q858-T862 PolarHBondContact O-OG1 2.87Å; E859-T862 WeakPolarHBondContact CA-OG1 3.41Å; E859-T862 PolarHBondContact O-N 2.91Å; E859-T862 PolarHBondContact O-OG1 3.3Å; N860-T862 VanDerWaalsContact C-N 3.35Å; T862-K865 PolarHBondContact O-N 2.93Å; T862-R866 PolarHBondContact O-N 3.03Å |
| 863 | E | 89.9 | Confident | 90.5 | Very high | 68 Ų | 68 | 102.5 Ų | 102.5 | 32% | 0.318 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.5 | -41.5 | 178 | -171 | 64.4 | -175 | 0 | 0 | 112 | E859 N860 K865 R866 L867 | E859-E863 PolarHBondContact O-N 3.32Å; N860-E863 PolarHBondContact O-N 3.3Å; E863-K865 VanDerWaalsContact C-N 3.33Å; E863-K865 PolarHBondContact O-N 2.94Å; E863-R866 VanDerWaalsContact CD-CZ 3.48Å; E863-R866 VanDerWaalsContact CD-NH1 3.33Å; E863-R866 WeakPolarHBondContact O-CB 3.41Å; E863-R866 PolarHBondContact O-N 3.03Å; E863-R866 IonicContact OE1-CZ 2.77Å; E863-R866 IonicContact OE1-NE 2.8Å; E863-R866 IonicContact OE1-NH1 3.8Å; E863-R866 PolarHBondContact OE1-NH1 3.42Å; E863-R866 VanDerWaalsContact OE1-NH1 3.13Å; E863-R866 IonicContact OE1-NH2 2.66Å; E863-R866 PolarHBondContact OE1-NH2 3.41Å; E863-R866 IonicContact OE2-CZ 2.81Å; E863-R866 IonicContact OE2-NE 3Å; E863-R866 IonicContact OE2-NH1 2.68Å; E863-R866 PolarHBondContact OE2-NH1 2.88Å; E863-R866 IonicContact OE2-NH2 3.22Å; E863-L867 HydrophobicContact CG-CD1 4.27Å; E863-L867 WeakPolarHBondContact O-CG 3.41Å; E863-L867 PolarHBondContact O-N 3.47Å |
| 864 | I | 89.4 | Confident | 90.4 | Very high | 94 Ų | 94 | 101.2 Ų | 101.2 | 48% | 0.482 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.1 | -45 | 173.8 | -71.7 | 165.6 | 0 | 0 | 0 | 110.4 | N860 R866 L867 Q868 | N860-I864 WeakPolarHBondContact O-CB 3.47Å; N860-I864 WeakPolarHBondContact O-CG1 3.35Å; N860-I864 PolarHBondContact O-N 2.87Å; I864-R866 VanDerWaalsContact C-N 3.34Å; I864-R866 PolarHBondContact O-N 3.36Å; I864-L867 PolarHBondContact O-N 2.94Å; I864-Q868 HydrophobicContact CG2-CG 4.34Å; I864-Q868 WeakPolarHBondContact O-CB 3.33Å; I864-Q868 VanDerWaalsContact O-CG 3.26Å; I864-Q868 WeakPolarHBondContact O-CG 3.47Å; I864-Q868 PolarHBondContact O-N 3.3Å |
| 865 | K | 90.3 | Very high | 90.3 | Very high | 137 Ų | 137 | 100.6 Ų | 100.6 | 60% | 0.596 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.8 | -40.7 | 176.1 | -75.7 | 178.8 | -179.8 | -178.3 | 0 | 111.8 | Q861 T862 E863 Q868 N869 | Q861-K865 WeakPolarHBondContact O-CG 3.36Å; Q861-K865 PolarHBondContact O-N 2.9Å; Q861-K865 VanDerWaalsContact O-N 3.08Å; T862-K865 PolarHBondContact O-N 2.93Å; E863-K865 VanDerWaalsContact C-N 3.33Å; E863-K865 PolarHBondContact O-N 2.94Å; K865-Q868 PolarHBondContact O-N 3.43Å; K865-N869 PolarHBondContact O-N 3.29Å |
| 866 | R | 91.1 | Very high | 90.3 | Very high | 139 Ų | 139 | 99.2 Ų | 99.2 | 53% | 0.525 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.8 | -50 | 175.6 | -161.5 | -170.8 | 85.5 | -156.1 | 2.9 | 111 | T862 E863 I864 Q868 N869 E870 | T862-R866 PolarHBondContact O-N 3.03Å; E863-R866 VanDerWaalsContact CD-CZ 3.48Å; E863-R866 VanDerWaalsContact CD-NH1 3.33Å; E863-R866 WeakPolarHBondContact O-CB 3.41Å; E863-R866 PolarHBondContact O-N 3.03Å; E863-R866 IonicContact OE1-CZ 2.77Å; E863-R866 IonicContact OE1-NE 2.8Å; E863-R866 IonicContact OE1-NH1 3.8Å; E863-R866 PolarHBondContact OE1-NH1 3.42Å; E863-R866 VanDerWaalsContact OE1-NH1 3.13Å; E863-R866 IonicContact OE1-NH2 2.66Å; E863-R866 PolarHBondContact OE1-NH2 3.41Å; E863-R866 IonicContact OE2-CZ 2.81Å; E863-R866 IonicContact OE2-NE 3Å; E863-R866 IonicContact OE2-NH1 2.68Å; E863-R866 PolarHBondContact OE2-NH1 2.88Å; E863-R866 IonicContact OE2-NH2 3.22Å; I864-R866 VanDerWaalsContact C-N 3.34Å; I864-R866 PolarHBondContact O-N 3.36Å; R866-Q868 VanDerWaalsContact C-N 3.34Å; R866-Q868 PolarHBondContact O-N 3.13Å; R866-N869 PolarHBondContact O-N 3.44Å; R866-E870 WeakPolarHBondContact O-CB 3.33Å; R866-E870 PolarHBondContact O-N 3.47Å |
| 867 | L | 89.7 | Confident | 90.3 | Very high | 78 Ų | 78 | 99.8 Ų | 99.8 | 41% | 0.408 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.8 | -33.4 | 178.6 | -68.9 | 172.7 | 0 | 0 | 0 | 112.9 | E863 I864 N871 | E863-L867 HydrophobicContact CG-CD1 4.27Å; E863-L867 WeakPolarHBondContact O-CG 3.41Å; E863-L867 PolarHBondContact O-N 3.47Å; I864-L867 PolarHBondContact O-N 2.94Å; L867-N871 WeakPolarHBondContact O-CB 3.46Å; L867-N871 PolarHBondContact O-N 3.49Å; L867-N871 PolarHBondContact O-ND2 2.96Å |
| 868 | Q | 91.3 | Very high | 90.3 | Very high | 108 Ų | 108 | 100.6 Ų | 100.6 | 51% | 0.505 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.1 | -45.8 | 173.3 | -78.6 | 175.1 | -20.6 | 0 | 0 | 111.5 | I864 K865 R866 N871 I872 | I864-Q868 HydrophobicContact CG2-CG 4.34Å; I864-Q868 WeakPolarHBondContact O-CB 3.33Å; I864-Q868 VanDerWaalsContact O-CG 3.26Å; I864-Q868 WeakPolarHBondContact O-CG 3.47Å; I864-Q868 PolarHBondContact O-N 3.3Å; K865-Q868 PolarHBondContact O-N 3.43Å; R866-Q868 VanDerWaalsContact C-N 3.34Å; R866-Q868 PolarHBondContact O-N 3.13Å; Q868-N871 PolarHBondContact O-N 3.42Å; Q868-I872 VanDerWaalsContact O-CG1 3.28Å; Q868-I872 WeakPolarHBondContact O-CG1 3.35Å; Q868-I872 PolarHBondContact O-N 3Å |
| 869 | N | 89 | Confident | 90.2 | Very high | 110 Ų | 110 | 98.7 Ų | 98.7 | 59% | 0.588 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -64 | -41.8 | 176.5 | -72.7 | -12.4 | 0 | 0 | 0 | 111.6 | K865 R866 I872 Q873 | K865-N869 PolarHBondContact O-N 3.29Å; R866-N869 PolarHBondContact O-N 3.44Å; N869-I872 PolarHBondContact O-N 3.28Å; N869-Q873 WeakPolarHBondContact O-CB 3.46Å; N869-Q873 PolarHBondContact O-N 2.96Å |
| 870 | E | 90.3 | Very high | 90.2 | Very high | 94 Ų | 94 | 97.3 Ų | 97.3 | 44% | 0.439 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 175.2 | -168.5 | 179.4 | 168.9 | 0 | 0 | 111.7 | R866 I872 Q873 N874 | R866-E870 WeakPolarHBondContact O-CB 3.33Å; R866-E870 PolarHBondContact O-N 3.47Å; E870-I872 PolarHBondContact O-N 3.34Å; E870-Q873 PolarHBondContact O-N 3.25Å; E870-N874 WeakPolarHBondContact O-CB 3.44Å; E870-N874 PolarHBondContact O-N 3.47Å; E870-N874 PolarHBondContact O-ND2 2.99Å |
| 871 | N | 89.3 | Confident | 90.1 | Very high | 107 Ų | 107 | 98.5 Ų | 98.5 | 57% | 0.572 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -63.7 | -38.9 | 173.9 | -92 | -48.7 | 0 | 0 | 0 | 113.2 | L867 Q868 R875 | L867-N871 WeakPolarHBondContact O-CB 3.46Å; L867-N871 PolarHBondContact O-N 3.49Å; L867-N871 PolarHBondContact O-ND2 2.96Å; Q868-N871 PolarHBondContact O-N 3.42Å; N871-R875 WeakPolarHBondContact O-CB 3.43Å; N871-R875 PolarHBondContact O-N 3.37Å |
| 872 | I | 91 | Very high | 90 | Very high | 81 Ų | 81 | 98.3 Ų | 98.3 | 42% | 0.415 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.5 | -44.6 | 175.3 | -69.2 | 164.1 | 0 | 0 | 0 | 110.2 | Q868 N869 E870 R875 H876 | Q868-I872 VanDerWaalsContact O-CG1 3.28Å; Q868-I872 WeakPolarHBondContact O-CG1 3.35Å; Q868-I872 PolarHBondContact O-N 3Å; N869-I872 PolarHBondContact O-N 3.28Å; E870-I872 PolarHBondContact O-N 3.34Å; I872-R875 PolarHBondContact O-N 2.92Å; I872-H876 PolarHBondContact O-N 3.48Å |
| 873 | Q | 90.2 | Very high | 90.2 | Very high | 107 Ų | 107 | 100.7 Ų | 100.7 | 50% | 0.5 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 177.8 | -171.3 | 62 | 36.5 | 0 | 0 | 111.7 | N869 E870 R875 H876 N877 | N869-Q873 WeakPolarHBondContact O-CB 3.46Å; N869-Q873 PolarHBondContact O-N 2.96Å; E870-Q873 PolarHBondContact O-N 3.25Å; Q873-R875 VanDerWaalsContact C-N 3.34Å; Q873-R875 PolarHBondContact O-N 2.89Å; Q873-H876 PolarHBondContact O-N 3.41Å; Q873-N877 PolarHBondContact NE2-OD1 2.84Å; Q873-N877 WeakPolarHBondContact O-CB 3.4Å; Q873-N877 VanDerWaalsContact O-CG 3.28Å; Q873-N877 PolarHBondContact O-N 3.32Å |
| 874 | N | 90.3 | Very high | 90.1 | Very high | 72 Ų | 72 | 102.9 Ų | 102.9 | 39% | 0.385 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 176.6 | -73.1 | -21.2 | 0 | 0 | 0 | 111.7 | E870 N877 L878 | E870-N874 WeakPolarHBondContact O-CB 3.44Å; E870-N874 PolarHBondContact O-N 3.47Å; E870-N874 PolarHBondContact O-ND2 2.99Å; N874-N877 PolarHBondContact O-N 2.98Å; N874-L878 WeakPolarHBondContact O-CG 3.43Å; N874-L878 PolarHBondContact O-N 3.2Å |
| 875 | R | 89.4 | Confident | 90.2 | Very high | 131 Ų | 131 | 104.3 Ų | 104.3 | 49% | 0.494 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.3 | -46 | 174.1 | -174.1 | 178.9 | 66.9 | -110.5 | 0.9 | 111.6 | N871 I872 Q873 N877 L878 E879 | N871-R875 WeakPolarHBondContact O-CB 3.43Å; N871-R875 PolarHBondContact O-N 3.37Å; I872-R875 PolarHBondContact O-N 2.92Å; Q873-R875 VanDerWaalsContact C-N 3.34Å; Q873-R875 PolarHBondContact O-N 2.89Å; R875-N877 VanDerWaalsContact C-N 3.3Å; R875-N877 PolarHBondContact O-N 3.35Å; R875-L878 PolarHBondContact O-N 3.16Å; R875-E879 HydrophobicContact CG-CG 4.5Å; R875-E879 WeakPolarHBondContact CG-OE1 3.49Å; R875-E879 IonicContact NE-OE1 3.02Å; R875-E879 WeakPolarHBondContact O-CB 3.41Å; R875-E879 WeakPolarHBondContact O-CG 3.41Å; R875-E879 PolarHBondContact O-N 3.49Å |
| 876 | H | 91.2 | Very high | 90.3 | Very high | 95 Ų | 95 | 102.4 Ų | 102.4 | 44% | 0.44 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.7 | -39 | 177.1 | -167.9 | -52.8 | 0 | 0 | 0 | 111.8 | I872 Q873 N880 | I872-H876 PolarHBondContact O-N 3.48Å; Q873-H876 PolarHBondContact O-N 3.41Å; H876-N880 PolarHBondContact CE1-ND2 3.04Å; H876-N880 PolarHBondContact CE1-OD1 3.27Å; H876-N880 PolarHBondContact ND1-ND2 2.87Å; H876-N880 WeakPolarHBondContact O-CB 3.44Å; H876-N880 VanDerWaalsContact O-CG 3.26Å; H876-N880 PolarHBondContact O-N 3.36Å |
| 877 | N | 90.4 | Very high | 90.3 | Very high | 68 Ų | 68 | 100.8 Ų | 100.8 | 36% | 0.364 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.7 | -44.1 | 175.5 | -72.8 | -14.1 | 0 | 0 | 0 | 111.6 | Q873 N874 R875 N880 Q881 | Q873-N877 PolarHBondContact NE2-OD1 2.84Å; Q873-N877 WeakPolarHBondContact O-CB 3.4Å; Q873-N877 VanDerWaalsContact O-CG 3.28Å; Q873-N877 PolarHBondContact O-N 3.32Å; N874-N877 PolarHBondContact O-N 2.98Å; R875-N877 VanDerWaalsContact C-N 3.3Å; R875-N877 PolarHBondContact O-N 3.35Å; N877-N880 PolarHBondContact O-N 3.22Å; N877-Q881 WeakPolarHBondContact O-CG 3.44Å; N877-Q881 PolarHBondContact O-N 3.44Å |
| 878 | L | 90.6 | Very high | 90.3 | Very high | 110 Ų | 110 | 100.1 Ų | 100.1 | 58% | 0.576 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -66.1 | -39.9 | 176.7 | -72.8 | 169.3 | 0 | 0 | 0 | 112.3 | N874 R875 N880 Q881 L882 | N874-L878 WeakPolarHBondContact O-CG 3.43Å; N874-L878 PolarHBondContact O-N 3.2Å; R875-L878 PolarHBondContact O-N 3.16Å; L878-N880 VanDerWaalsContact C-N 3.35Å; L878-Q881 PolarHBondContact O-N 3.48Å; L878-L882 WeakPolarHBondContact O-CB 3.44Å; L878-L882 PolarHBondContact O-N 2.96Å |
| 879 | E | 90.1 | Very high | 90 | Very high | 88 Ų | 88 | 100.5 Ų | 100.5 | 41% | 0.411 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.1 | -40.3 | 174.5 | -77.7 | 175.5 | -163.3 | 0 | 0 | 111.9 | R875 L882 K883 | R875-E879 HydrophobicContact CG-CG 4.5Å; R875-E879 WeakPolarHBondContact CG-OE1 3.49Å; R875-E879 IonicContact NE-OE1 3.02Å; R875-E879 WeakPolarHBondContact O-CB 3.41Å; R875-E879 WeakPolarHBondContact O-CG 3.41Å; R875-E879 PolarHBondContact O-N 3.49Å; E879-L882 PolarHBondContact O-N 3.37Å; E879-K883 WeakPolarHBondContact O-CG 3.48Å; E879-K883 PolarHBondContact O-N 3.35Å |
| 880 | N | 89.4 | Confident | 90.1 | Very high | 72 Ų | 72 | 98.3 Ų | 98.3 | 39% | 0.385 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.4 | -44.1 | 174.9 | -75.5 | -12.8 | 0 | 0 | 0 | 111.9 | H876 N877 L878 L882 K883 Q884 | H876-N880 PolarHBondContact CE1-ND2 3.04Å; H876-N880 PolarHBondContact CE1-OD1 3.27Å; H876-N880 PolarHBondContact ND1-ND2 2.87Å; H876-N880 WeakPolarHBondContact O-CB 3.44Å; H876-N880 VanDerWaalsContact O-CG 3.26Å; H876-N880 PolarHBondContact O-N 3.36Å; N877-N880 PolarHBondContact O-N 3.22Å; L878-N880 VanDerWaalsContact C-N 3.35Å; N880-L882 VanDerWaalsContact C-N 3.31Å; N880-L882 PolarHBondContact O-N 3.25Å; N880-K883 PolarHBondContact O-N 3.47Å; N880-Q884 PolarHBondContact O-N 2.86Å |
| 881 | Q | 90.1 | Very high | 90.1 | Very high | 113 Ų | 113 | 98.9 Ų | 98.9 | 53% | 0.528 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61.7 | -40.5 | 174.9 | -73.3 | 177 | 11.1 | 0 | 0 | 111.5 | N877 L878 Q884 K885 | N877-Q881 WeakPolarHBondContact O-CG 3.44Å; N877-Q881 PolarHBondContact O-N 3.44Å; L878-Q881 PolarHBondContact O-N 3.48Å; Q881-Q884 PolarHBondContact O-N 3.02Å; Q881-K885 WeakPolarHBondContact O-CB 3.5Å; Q881-K885 WeakPolarHBondContact O-CG 3.22Å; Q881-K885 PolarHBondContact O-N 2.88Å |
| 882 | L | 88.9 | Confident | 90 | Very high | 109 Ų | 109 | 98.2 Ų | 98.2 | 57% | 0.571 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.5 | -45.1 | 176.4 | -176.8 | 64 | 0 | 0 | 0 | 111.4 | L878 E879 N880 Q884 K885 I886 | L878-L882 WeakPolarHBondContact O-CB 3.44Å; L878-L882 PolarHBondContact O-N 2.96Å; E879-L882 PolarHBondContact O-N 3.37Å; N880-L882 VanDerWaalsContact C-N 3.31Å; N880-L882 PolarHBondContact O-N 3.25Å; L882-Q884 VanDerWaalsContact C-N 3.34Å; L882-Q884 PolarHBondContact O-N 3.47Å; L882-K885 PolarHBondContact O-N 2.97Å; L882-I886 HydrophobicContact CD1-CD1 4.4Å; L882-I886 HydrophobicContact CG-CD1 4.02Å; L882-I886 VanDerWaalsContact O-CG1 3.28Å; L882-I886 WeakPolarHBondContact O-CG1 3.45Å; L882-I886 PolarHBondContact O-N 2.81Å |
| 883 | K | 91.8 | Very high | 90.1 | Very high | 134 Ų | 134 | 98 Ų | 98 | 58% | 0.583 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -59.4 | -44.1 | 174.8 | -75 | 173.1 | -177.3 | 173 | 0 | 111.8 | E879 N880 I886 Q887 | E879-K883 WeakPolarHBondContact O-CG 3.48Å; E879-K883 PolarHBondContact O-N 3.35Å; N880-K883 PolarHBondContact O-N 3.47Å; K883-I886 PolarHBondContact O-N 2.98Å; K883-Q887 PolarHBondContact O-N 3.49Å |
| 884 | Q | 89.4 | Confident | 90.1 | Very high | 113 Ų | 113 | 96.7 Ų | 96.7 | 53% | 0.528 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.9 | -44.3 | 176.3 | -173.8 | 180 | 5 | 0 | 0 | 111.4 | N880 Q881 L882 I886 Q887 E888 | N880-Q884 PolarHBondContact O-N 2.86Å; Q881-Q884 PolarHBondContact O-N 3.02Å; L882-Q884 VanDerWaalsContact C-N 3.34Å; L882-Q884 PolarHBondContact O-N 3.47Å; Q884-I886 VanDerWaalsContact C-N 3.35Å; Q884-I886 PolarHBondContact O-N 3.27Å; Q884-Q887 PolarHBondContact O-N 3.26Å; Q884-E888 PolarHBondContact NE2-OE1 2.91Å; Q884-E888 WeakPolarHBondContact O-CG 3.5Å; Q884-E888 PolarHBondContact O-N 3.3Å |
| 885 | K | 90.9 | Very high | 90.1 | Very high | 125 Ų | 125 | 96.8 Ų | 96.8 | 54% | 0.543 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.4 | -36.8 | 177.3 | -70.9 | -70.5 | 161.7 | -154.4 | 0 | 112.8 | Q881 L882 E888 N889 | Q881-K885 WeakPolarHBondContact O-CB 3.5Å; Q881-K885 WeakPolarHBondContact O-CG 3.22Å; Q881-K885 PolarHBondContact O-N 2.88Å; L882-K885 PolarHBondContact O-N 2.97Å; K885-E888 IonicContact NZ-OE1 2.92Å; K885-E888 IonicContact NZ-OE2 3.34Å; K885-E888 PolarHBondContact NZ-OE2 3.35Å; K885-N889 WeakPolarHBondContact O-CB 3.49Å; K885-N889 PolarHBondContact O-N 3.28Å |
| 886 | I | 92 | Very high | 90.1 | Very high | 97 Ų | 97 | 95.2 Ų | 95.2 | 50% | 0.497 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.2 | -46 | 173.4 | -71 | 165.5 | 0 | 0 | 0 | 110.2 | L882 K883 Q884 N889 T890 | L882-I886 HydrophobicContact CD1-CD1 4.4Å; L882-I886 HydrophobicContact CG-CD1 4.02Å; L882-I886 VanDerWaalsContact O-CG1 3.28Å; L882-I886 WeakPolarHBondContact O-CG1 3.45Å; L882-I886 PolarHBondContact O-N 2.81Å; K883-I886 PolarHBondContact O-N 2.98Å; Q884-I886 VanDerWaalsContact C-N 3.35Å; Q884-I886 PolarHBondContact O-N 3.27Å; I886-N889 PolarHBondContact O-N 3.46Å; I886-T890 WeakPolarHBondContact O-CG2 3.19Å; I886-T890 PolarHBondContact O-N 2.96Å; I886-T890 PolarHBondContact O-OG1 2.87Å |
| 887 | Q | 90.7 | Very high | 90.1 | Very high | 105 Ų | 105 | 96 Ų | 96 | 49% | 0.491 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62 | -47.9 | 177.9 | -177.8 | 60.8 | 33.4 | 0 | 0 | 112.2 | K883 Q884 N889 T890 E891 | K883-Q887 PolarHBondContact O-N 3.49Å; Q884-Q887 PolarHBondContact O-N 3.26Å; Q887-N889 PolarHBondContact O-N 3.49Å; Q887-T890 WeakPolarHBondContact CA-OG1 3.33Å; Q887-T890 PolarHBondContact O-N 3.31Å; Q887-T890 PolarHBondContact O-OG1 2.88Å; Q887-E891 PolarHBondContact NE2-OE1 3.07Å; Q887-E891 WeakPolarHBondContact O-CG 3.44Å; Q887-E891 PolarHBondContact O-N 3.11Å |
| 888 | E | 89.2 | Confident | 90.1 | Very high | 64 Ų | 64 | 99.8 Ų | 99.8 | 30% | 0.299 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -57.4 | -39.7 | 174.9 | -73.3 | 172.9 | -168.2 | 0 | 0 | 111.3 | Q884 K885 E891 L892 | Q884-E888 PolarHBondContact NE2-OE1 2.91Å; Q884-E888 WeakPolarHBondContact O-CG 3.5Å; Q884-E888 PolarHBondContact O-N 3.3Å; K885-E888 IonicContact NZ-OE1 2.92Å; K885-E888 IonicContact NZ-OE2 3.34Å; K885-E888 PolarHBondContact NZ-OE2 3.35Å; E888-E891 PolarHBondContact O-N 3.42Å; E888-L892 VanDerWaalsContact O-CG 3.32Å; E888-L892 WeakPolarHBondContact O-CG 3.43Å; E888-L892 PolarHBondContact O-N 2.94Å |
| 889 | N | 86.9 | Confident | 89.9 | Confident | 115 Ų | 115 | 99.3 Ų | 99.3 | 62% | 0.615 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -71.2 | -35.1 | -180 | -143.6 | 23.1 | 0 | 0 | 0 | 112.2 | K885 I886 Q887 L892 D893 | K885-N889 WeakPolarHBondContact O-CB 3.49Å; K885-N889 PolarHBondContact O-N 3.28Å; I886-N889 PolarHBondContact O-N 3.46Å; Q887-N889 PolarHBondContact O-N 3.49Å; N889-L892 PolarHBondContact O-N 3.48Å; N889-D893 WeakPolarHBondContact O-CB 3.22Å; N889-D893 PolarHBondContact O-N 3.29Å |
| 890 | T | 90.3 | Very high | 89.9 | Confident | 64 Ų | 64 | 99.3 Ų | 99.3 | 39% | 0.393 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.8 | -38.7 | 173.3 | 49.3 | 0 | 0 | 0 | 0 | 112.2 | I886 Q887 D893 D894 | I886-T890 WeakPolarHBondContact O-CG2 3.19Å; I886-T890 PolarHBondContact O-N 2.96Å; I886-T890 PolarHBondContact O-OG1 2.87Å; Q887-T890 WeakPolarHBondContact CA-OG1 3.33Å; Q887-T890 PolarHBondContact O-N 3.31Å; Q887-T890 PolarHBondContact O-OG1 2.88Å; T890-D893 PolarHBondContact O-N 3.2Å; T890-D894 PolarHBondContact O-N 3.33Å |
| 891 | E | 91 | Very high | 90.1 | Very high | 106 Ų | 106 | 102.8 Ų | 102.8 | 50% | 0.495 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.1 | -40.5 | 176 | -71.6 | 168.5 | -167.1 | 0 | 0 | 111.8 | Q887 E888 D894 E895 | Q887-E891 PolarHBondContact NE2-OE1 3.07Å; Q887-E891 WeakPolarHBondContact O-CG 3.44Å; Q887-E891 PolarHBondContact O-N 3.11Å; E888-E891 PolarHBondContact O-N 3.42Å; E891-D894 PolarHBondContact O-N 2.99Å; E891-E895 PolarHBondContact O-N 3.23Å |
| 892 | L | 86.9 | Confident | 90.3 | Very high | 93 Ų | 93 | 104 Ų | 104 | 49% | 0.487 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.5 | -39.8 | 173.9 | -72.7 | 172.2 | 0 | 0 | 0 | 112.3 | E888 N889 E895 I896 | E888-L892 VanDerWaalsContact O-CG 3.32Å; E888-L892 WeakPolarHBondContact O-CG 3.43Å; E888-L892 PolarHBondContact O-N 2.94Å; N889-L892 PolarHBondContact O-N 3.48Å; L892-E895 PolarHBondContact O-N 3.04Å; L892-I896 VanDerWaalsContact O-CG1 3.27Å; L892-I896 WeakPolarHBondContact O-CG1 3.43Å; L892-I896 PolarHBondContact O-N 3.49Å |
| 893 | D | 91.9 | Very high | 90.3 | Very high | 77 Ų | 77 | 105 Ų | 105 | 41% | 0.412 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.2 | -41.2 | 176.2 | -171.8 | 58.5 | 0 | 0 | 0 | 111.7 | N889 T890 I896 K897 | N889-D893 WeakPolarHBondContact O-CB 3.22Å; N889-D893 PolarHBondContact O-N 3.29Å; T890-D893 PolarHBondContact O-N 3.2Å; D893-I896 PolarHBondContact O-N 3.27Å; D893-K897 WeakPolarHBondContact O-CG 3.42Å; D893-K897 PolarHBondContact O-N 2.99Å; D893-K897 WeakPolarHBondContact OD2-CE 3.24Å; D893-K897 IonicContact OD2-NZ 3.89Å; D893-K897 PolarHBondContact OD2-NZ 3.25Å |
| 894 | D | 91.6 | Very high | 90.3 | Very high | 80 Ų | 80 | 102.8 Ų | 102.8 | 43% | 0.428 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.9 | -33.8 | 176.3 | -72.7 | -19.3 | 0 | 0 | 0 | 113.1 | T890 E891 K897 R898 | T890-D894 PolarHBondContact O-N 3.33Å; E891-D894 PolarHBondContact O-N 2.99Å; D894-K897 IonicContact OD1-NZ 3.81Å; D894-K897 PolarHBondContact OD1-NZ 2.95Å; D894-R898 WeakPolarHBondContact O-CG 3.4Å; D894-R898 PolarHBondContact O-N 2.73Å |
| 895 | E | 90 | Very high | 90.5 | Very high | 73 Ų | 73 | 101 Ų | 101 | 34% | 0.341 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.8 | -44 | 171 | -170.1 | 59.9 | -139.2 | 0 | 0 | 111.2 | E891 L892 K897 R898 L899 | E891-E895 PolarHBondContact O-N 3.23Å; L892-E895 PolarHBondContact O-N 3.04Å; E895-K897 VanDerWaalsContact C-N 3.34Å; E895-K897 PolarHBondContact O-N 3Å; E895-R898 PolarHBondContact O-N 2.98Å; E895-R898 IonicContact OE1-NH1 2.81Å; E895-R898 IonicContact OE2-CZ 3.74Å; E895-R898 IonicContact OE2-NH1 3.7Å; E895-R898 PolarHBondContact OE2-NH1 3.47Å; E895-R898 IonicContact OE2-NH2 3.95Å; E895-R898 PolarHBondContact OE2-NH2 2.82Å; E895-L899 HydrophobicContact CG-CD1 4.29Å; E895-L899 WeakPolarHBondContact O-CG 3.47Å; E895-L899 PolarHBondContact O-N 3.27Å |
| 896 | I | 88.1 | Confident | 90.4 | Very high | 99 Ų | 99 | 98.4 Ų | 98.4 | 51% | 0.508 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.5 | -46 | 175 | -72.4 | 167.1 | 0 | 0 | 0 | 110.5 | L892 D893 R898 L899 V900 | L892-I896 VanDerWaalsContact O-CG1 3.27Å; L892-I896 WeakPolarHBondContact O-CG1 3.43Å; L892-I896 PolarHBondContact O-N 3.49Å; D893-I896 PolarHBondContact O-N 3.27Å; I896-R898 VanDerWaalsContact C-N 3.33Å; I896-R898 PolarHBondContact O-N 3.14Å; I896-L899 PolarHBondContact O-N 3.4Å; I896-V900 HydrophobicContact CG2-CG2 4.3Å; I896-V900 WeakPolarHBondContact O-CB 3.36Å; I896-V900 VanDerWaalsContact O-CG2 3.27Å; I896-V900 WeakPolarHBondContact O-CG2 3.41Å; I896-V900 PolarHBondContact O-N 3.42Å |
| 897 | K | 91.4 | Very high | 90.3 | Very high | 111 Ų | 111 | 98.5 Ų | 98.5 | 48% | 0.483 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.1 | -43 | 176.1 | -71.9 | 171.4 | -163.1 | 148.2 | 0 | 112.1 | D893 D894 E895 V900 K901 | D893-K897 WeakPolarHBondContact O-CG 3.42Å; D893-K897 PolarHBondContact O-N 2.99Å; D893-K897 WeakPolarHBondContact OD2-CE 3.24Å; D893-K897 IonicContact OD2-NZ 3.89Å; D893-K897 PolarHBondContact OD2-NZ 3.25Å; D894-K897 IonicContact OD1-NZ 3.81Å; D894-K897 PolarHBondContact OD1-NZ 2.95Å; E895-K897 VanDerWaalsContact C-N 3.34Å; E895-K897 PolarHBondContact O-N 3Å; K897-V900 PolarHBondContact O-N 2.99Å; K897-K901 PolarHBondContact O-N 3.44Å |
| 898 | R | 90.9 | Very high | 90.4 | Very high | 147 Ų | 147 | 99 Ų | 99 | 56% | 0.555 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.2 | -43.8 | 176.6 | -80.2 | -174.2 | -87.5 | 131.2 | 0.9 | 112 | D894 E895 I896 K901 R902 | D894-R898 WeakPolarHBondContact O-CG 3.4Å; D894-R898 PolarHBondContact O-N 2.73Å; E895-R898 PolarHBondContact O-N 2.98Å; E895-R898 IonicContact OE1-NH1 2.81Å; E895-R898 IonicContact OE2-CZ 3.74Å; E895-R898 IonicContact OE2-NH1 3.7Å; E895-R898 PolarHBondContact OE2-NH1 3.47Å; E895-R898 IonicContact OE2-NH2 3.95Å; E895-R898 PolarHBondContact OE2-NH2 2.82Å; I896-R898 VanDerWaalsContact C-N 3.33Å; I896-R898 PolarHBondContact O-N 3.14Å; R898-K901 PolarHBondContact O-N 3.29Å; R898-R902 PolarHBondContact O-N 3.29Å |
| 899 | L | 86.6 | Confident | 90.5 | Very high | 101 Ų | 101 | 100.1 Ų | 100.1 | 53% | 0.529 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.6 | -37.9 | 177 | -69.7 | 174.8 | 0 | 0 | 0 | 112.6 | E895 I896 R902 K903 | E895-L899 HydrophobicContact CG-CD1 4.29Å; E895-L899 WeakPolarHBondContact O-CG 3.47Å; E895-L899 PolarHBondContact O-N 3.27Å; I896-L899 PolarHBondContact O-N 3.4Å; L899-R902 PolarHBondContact O-N 2.9Å; L899-K903 WeakPolarHBondContact O-CB 3.5Å; L899-K903 PolarHBondContact O-N 3.45Å |
| 900 | V | 90.9 | Very high | 90.5 | Very high | 88 Ų | 88 | 99.1 Ų | 99.1 | 53% | 0.533 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 174.6 | 168.9 | 0 | 0 | 0 | 0 | 110.9 | I896 K897 K903 E904 | I896-V900 HydrophobicContact CG2-CG2 4.3Å; I896-V900 WeakPolarHBondContact O-CB 3.36Å; I896-V900 VanDerWaalsContact O-CG2 3.27Å; I896-V900 WeakPolarHBondContact O-CG2 3.41Å; I896-V900 PolarHBondContact O-N 3.42Å; K897-V900 PolarHBondContact O-N 2.99Å; V900-K903 WeakPolarHBondContact O-CB 3.32Å; V900-K903 PolarHBondContact O-N 2.97Å; V900-E904 PolarHBondContact O-N 3.45Å; V900-E904 VanDerWaalsContact O-N 3.09Å |
| 901 | K | 92.9 | Very high | 90.5 | Very high | 145 Ų | 145 | 99 Ų | 99 | 63% | 0.63 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -59.7 | -48.2 | 174.3 | -175.4 | 177.6 | -179.8 | 179.4 | 0 | 111.5 | K897 R898 K903 E904 D905 | K897-K901 PolarHBondContact O-N 3.44Å; R898-K901 PolarHBondContact O-N 3.29Å; K901-K903 VanDerWaalsContact C-N 3.3Å; K901-K903 PolarHBondContact O-N 2.94Å; K901-E904 PolarHBondContact O-N 3.17Å; K901-E904 VanDerWaalsContact O-N 3.07Å; K901-D905 PolarHBondContact O-N 3.26Å |
| 902 | R | 93.1 | Very high | 90.5 | Very high | 138 Ų | 138 | 99 Ų | 99 | 52% | 0.521 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.9 | -39.6 | 178.5 | -177.9 | 57.4 | 174.8 | 152.1 | -0.7 | 112.4 | R898 L899 E904 D905 L906 | R898-R902 PolarHBondContact O-N 3.29Å; L899-R902 PolarHBondContact O-N 2.9Å; R902-E904 VanDerWaalsContact C-N 3.33Å; R902-D905 PolarHBondContact O-N 3.01Å; R902-L906 HydrophobicContact CG-CD1 4.17Å; R902-L906 WeakPolarHBondContact O-CB 3.38Å; R902-L906 VanDerWaalsContact O-CG 3.27Å; R902-L906 WeakPolarHBondContact O-CG 3.42Å; R902-L906 PolarHBondContact O-N 3.43Å |
| 903 | K | 90.2 | Very high | 90.6 | Very high | 130 Ų | 130 | 99.2 Ų | 99.2 | 57% | 0.565 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.9 | -42.4 | 174.6 | 177.6 | -175.6 | 175.6 | -178.2 | 0 | 111.4 | L899 V900 K901 L906 K907 | L899-K903 WeakPolarHBondContact O-CB 3.5Å; L899-K903 PolarHBondContact O-N 3.45Å; V900-K903 WeakPolarHBondContact O-CB 3.32Å; V900-K903 PolarHBondContact O-N 2.97Å; K901-K903 VanDerWaalsContact C-N 3.3Å; K901-K903 PolarHBondContact O-N 2.94Å; K903-L906 PolarHBondContact O-N 3.23Å; K903-K907 WeakPolarHBondContact O-CG 3.45Å; K903-K907 PolarHBondContact O-N 2.92Å |
| 904 | E | 92 | Very high | 90.6 | Very high | 88 Ų | 88 | 100.3 Ų | 100.3 | 41% | 0.411 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.4 | -42.2 | 179.3 | -156.7 | 57.9 | -147 | 0 | 0 | 111.9 | V900 K901 R902 L906 K907 L908 | V900-E904 PolarHBondContact O-N 3.45Å; V900-E904 VanDerWaalsContact O-N 3.09Å; K901-E904 PolarHBondContact O-N 3.17Å; K901-E904 VanDerWaalsContact O-N 3.07Å; R902-E904 VanDerWaalsContact C-N 3.33Å; E904-L906 VanDerWaalsContact C-N 3.3Å; E904-L906 PolarHBondContact O-N 3.49Å; E904-K907 WeakPolarHBondContact O-CB 3.45Å; E904-K907 PolarHBondContact O-N 3.1Å; E904-K907 IonicContact OE1-NZ 2.68Å; E904-K907 WeakPolarHBondContact OE2-CD 3.33Å; E904-K907 IonicContact OE2-NZ 3.88Å; E904-K907 PolarHBondContact OE2-NZ 2.92Å; E904-L908 PolarHBondContact O-N 3.34Å |
| 905 | D | 93 | Very high | 90.6 | Very high | 74 Ų | 74 | 100 Ų | 100 | 40% | 0.396 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.8 | -41.8 | 173.4 | -63.6 | -25.3 | 0 | 0 | 0 | 111.7 | K901 R902 L908 L909 | K901-D905 PolarHBondContact O-N 3.26Å; R902-D905 PolarHBondContact O-N 3.01Å; D905-L908 PolarHBondContact O-N 3.48Å; D905-L909 PolarHBondContact O-N 3.23Å |
| 906 | L | 88 | Confident | 90.6 | Very high | 71 Ų | 71 | 101.2 Ų | 101.2 | 37% | 0.372 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68 | -36.6 | 177.2 | -75.3 | 172.3 | 0 | 0 | 0 | 112.5 | R902 K903 E904 L908 L909 V910 | R902-L906 HydrophobicContact CG-CD1 4.17Å; R902-L906 WeakPolarHBondContact O-CB 3.38Å; R902-L906 VanDerWaalsContact O-CG 3.27Å; R902-L906 WeakPolarHBondContact O-CG 3.42Å; R902-L906 PolarHBondContact O-N 3.43Å; K903-L906 PolarHBondContact O-N 3.23Å; E904-L906 VanDerWaalsContact C-N 3.3Å; E904-L906 PolarHBondContact O-N 3.49Å; L906-L908 VanDerWaalsContact C-N 3.35Å; L906-L909 PolarHBondContact O-N 2.88Å; L906-V910 VanDerWaalsContact O-CG2 3.29Å; L906-V910 WeakPolarHBondContact O-CG2 3.47Å; L906-V910 PolarHBondContact O-N 2.95Å |
| 907 | K | 91.3 | Very high | 90.6 | Very high | 100 Ų | 100 | 99.6 Ų | 99.6 | 44% | 0.435 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 173.6 | -74.7 | 176.7 | -169.7 | 164.8 | 0 | 111.7 | K903 E904 L909 V910 A911 | K903-K907 WeakPolarHBondContact O-CG 3.45Å; K903-K907 PolarHBondContact O-N 2.92Å; E904-K907 WeakPolarHBondContact O-CB 3.45Å; E904-K907 PolarHBondContact O-N 3.1Å; E904-K907 IonicContact OE1-NZ 2.68Å; E904-K907 WeakPolarHBondContact OE2-CD 3.33Å; E904-K907 IonicContact OE2-NZ 3.88Å; E904-K907 PolarHBondContact OE2-NZ 2.92Å; K907-L909 VanDerWaalsContact C-N 3.34Å; K907-V910 PolarHBondContact O-N 3.46Å; K907-A911 PolarHBondContact O-N 3.31Å |
| 908 | L | 91.4 | Very high | 90.6 | Very high | 114 Ų | 114 | 97.3 Ų | 97.3 | 60% | 0.597 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.8 | -43.5 | 176.5 | -70.8 | 173.3 | 0 | 0 | 0 | 111.1 | E904 D905 L906 A911 D912 | E904-L908 PolarHBondContact O-N 3.34Å; D905-L908 PolarHBondContact O-N 3.48Å; L906-L908 VanDerWaalsContact C-N 3.35Å; L908-A911 PolarHBondContact O-N 3.47Å; L908-D912 PolarHBondContact O-N 3.42Å |
| 909 | L | 91.5 | Very high | 90.6 | Very high | 88 Ų | 88 | 94.6 Ų | 94.6 | 46% | 0.461 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.7 | -42.2 | 175.4 | -179.1 | 62.8 | 0 | 0 | 0 | 112.4 | D905 L906 K907 A911 D912 L913 | D905-L909 PolarHBondContact O-N 3.23Å; L906-L909 PolarHBondContact O-N 2.88Å; K907-L909 VanDerWaalsContact C-N 3.34Å; L909-A911 VanDerWaalsContact C-N 3.32Å; L909-A911 PolarHBondContact O-N 3.38Å; L909-D912 PolarHBondContact O-N 2.84Å; L909-L913 HydrophobicContact CD1-CD1 4.36Å; L909-L913 HydrophobicContact CD1-CG 4.32Å; L909-L913 HydrophobicContact CG-CD1 4.14Å; L909-L913 HydrophobicContact CG-CG 4.5Å; L909-L913 WeakPolarHBondContact O-CB 3.23Å; L909-L913 WeakPolarHBondContact O-CG 3.41Å; L909-L913 PolarHBondContact O-N 2.89Å |
| 910 | V | 87.3 | Confident | 90.7 | Very high | 94 Ų | 94 | 94.1 Ų | 94.1 | 57% | 0.57 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63 | -39.8 | 176.1 | 168.7 | 0 | 0 | 0 | 0 | 111.1 | L906 K907 Q914 | L906-V910 VanDerWaalsContact O-CG2 3.29Å; L906-V910 WeakPolarHBondContact O-CG2 3.47Å; L906-V910 PolarHBondContact O-N 2.95Å; K907-V910 PolarHBondContact O-N 3.46Å; V910-Q914 WeakPolarHBondContact O-CB 3.17Å; V910-Q914 PolarHBondContact O-N 3.5Å |
| 911 | A | 90.6 | Very high | 90.7 | Very high | 61 Ų | 61 | 94.8 Ų | 94.8 | 50% | 0.504 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.7 | -41.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K907 L908 L909 Q914 S915 | K907-A911 PolarHBondContact O-N 3.31Å; L908-A911 PolarHBondContact O-N 3.47Å; L909-A911 VanDerWaalsContact C-N 3.32Å; L909-A911 PolarHBondContact O-N 3.38Å; A911-Q914 PolarHBondContact O-N 3.24Å; A911-S915 PolarHBondContact O-N 2.68Å |
| 912 | D | 91.6 | Very high | 90.6 | Very high | 106 Ų | 106 | 95 Ų | 95 | 57% | 0.567 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.3 | -47.2 | 175.8 | -174.7 | 62 | 0 | 0 | 0 | 111.9 | L908 L909 Q914 S915 K916 | L908-D912 PolarHBondContact O-N 3.42Å; L909-D912 PolarHBondContact O-N 2.84Å; D912-Q914 VanDerWaalsContact C-N 3.32Å; D912-Q914 PolarHBondContact O-N 2.9Å; D912-S915 WeakPolarHBondContact O-CB 3.31Å; D912-S915 PolarHBondContact O-N 3.29Å; D912-K916 PolarHBondContact O-N 3.23Å |
| 913 | L | 88.9 | Confident | 90.4 | Very high | 98 Ų | 98 | 93.2 Ų | 93.2 | 51% | 0.513 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.6 | -39.6 | 175.8 | -71.6 | 175.2 | 0 | 0 | 0 | 112.1 | L909 K916 V917 | L909-L913 HydrophobicContact CD1-CD1 4.36Å; L909-L913 HydrophobicContact CD1-CG 4.32Å; L909-L913 HydrophobicContact CG-CD1 4.14Å; L909-L913 HydrophobicContact CG-CG 4.5Å; L909-L913 WeakPolarHBondContact O-CB 3.23Å; L909-L913 WeakPolarHBondContact O-CG 3.41Å; L909-L913 PolarHBondContact O-N 2.89Å; L913-K916 PolarHBondContact O-N 3.28Å; L913-V917 WeakPolarHBondContact O-CG2 3.28Å; L913-V917 PolarHBondContact O-N 3.49Å |
| 914 | Q | 90.5 | Very high | 90.4 | Very high | 100 Ų | 100 | 92 Ų | 92 | 47% | 0.467 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.5 | -44.1 | 175 | -174 | 61.8 | 50.8 | 0 | 0 | 111.2 | V910 A911 D912 K916 V917 D918 | V910-Q914 WeakPolarHBondContact O-CB 3.17Å; V910-Q914 PolarHBondContact O-N 3.5Å; A911-Q914 PolarHBondContact O-N 3.24Å; D912-Q914 VanDerWaalsContact C-N 3.32Å; D912-Q914 PolarHBondContact O-N 2.9Å; Q914-K916 VanDerWaalsContact C-N 3.25Å; Q914-K916 PolarHBondContact O-N 3.33Å; Q914-V917 PolarHBondContact O-N 3.36Å; Q914-D918 PolarHBondContact NE2-OD1 3.21Å; Q914-D918 VanDerWaalsContact O-CG 3.23Å; Q914-D918 PolarHBondContact O-N 3.05Å |
| 915 | S | 91.7 | Very high | 90.4 | Very high | 75 Ų | 75 | 94 Ų | 94 | 52% | 0.524 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.3 | -38.2 | 174.6 | -175 | 0 | 0 | 0 | 0 | 111.8 | A911 D912 D918 E919 | A911-S915 PolarHBondContact O-N 2.68Å; D912-S915 WeakPolarHBondContact O-CB 3.31Å; D912-S915 PolarHBondContact O-N 3.29Å; S915-D918 PolarHBondContact O-N 2.88Å; S915-E919 PolarHBondContact O-N 3.36Å |
| 916 | K | 90.9 | Very high | 90.3 | Very high | 97 Ų | 97 | 93 Ų | 93 | 42% | 0.422 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69.2 | -39.3 | 176.9 | -168.3 | 70 | -162 | 167.1 | 0 | 112.4 | D912 L913 Q914 E919 L920 | D912-K916 PolarHBondContact O-N 3.23Å; L913-K916 PolarHBondContact O-N 3.28Å; Q914-K916 VanDerWaalsContact C-N 3.25Å; Q914-K916 PolarHBondContact O-N 3.33Å; K916-E919 IonicContact NZ-OE2 2.69Å; K916-E919 PolarHBondContact NZ-OE2 2.88Å; K916-E919 PolarHBondContact O-N 2.65Å; K916-L920 HydrophobicContact CG-CD1 4.41Å; K916-L920 WeakPolarHBondContact O-CB 3.35Å; K916-L920 WeakPolarHBondContact O-CG 3.44Å; K916-L920 PolarHBondContact O-N 3.1Å |
| 917 | V | 87.8 | Confident | 90.1 | Very high | 65 Ų | 65 | 93.7 Ų | 93.7 | 39% | 0.394 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.5 | -45.4 | 173.5 | 168.8 | 0 | 0 | 0 | 0 | 110.5 | L913 Q914 E919 L920 Q921 | L913-V917 WeakPolarHBondContact O-CG2 3.28Å; L913-V917 PolarHBondContact O-N 3.49Å; Q914-V917 PolarHBondContact O-N 3.36Å; V917-E919 VanDerWaalsContact C-N 3.32Å; V917-E919 PolarHBondContact O-N 2.92Å; V917-L920 PolarHBondContact O-N 3.03Å; V917-Q921 HydrophobicContact CG1-CG 4.36Å; V917-Q921 WeakPolarHBondContact O-CB 3.45Å; V917-Q921 VanDerWaalsContact O-CG 3.3Å; V917-Q921 WeakPolarHBondContact O-CG 3.39Å; V917-Q921 PolarHBondContact O-N 3.12Å |
| 918 | D | 91.4 | Very high | 90 | Very high | 64 Ų | 64 | 91.4 Ų | 91.4 | 34% | 0.342 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.2 | -37.7 | 178.4 | -64.3 | -8.5 | 0 | 0 | 0 | 111.7 | Q914 S915 Q921 K922 | Q914-D918 PolarHBondContact NE2-OD1 3.21Å; Q914-D918 VanDerWaalsContact O-CG 3.23Å; Q914-D918 PolarHBondContact O-N 3.05Å; S915-D918 PolarHBondContact O-N 2.88Å; D918-Q921 PolarHBondContact O-N 3.34Å; D918-K922 WeakPolarHBondContact O-CG 3.42Å; D918-K922 PolarHBondContact O-N 2.91Å |
| 919 | E | 91.7 | Very high | 90 | Very high | 89 Ų | 89 | 89.6 Ų | 89.6 | 42% | 0.416 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.6 | -46.4 | 174.7 | -169.1 | -174.6 | -164 | 0 | 0 | 111.8 | S915 K916 V917 Q921 K922 Q923 | S915-E919 PolarHBondContact O-N 3.36Å; K916-E919 IonicContact NZ-OE2 2.69Å; K916-E919 PolarHBondContact NZ-OE2 2.88Å; K916-E919 PolarHBondContact O-N 2.65Å; V917-E919 VanDerWaalsContact C-N 3.32Å; V917-E919 PolarHBondContact O-N 2.92Å; E919-Q921 VanDerWaalsContact C-N 3.31Å; E919-Q921 PolarHBondContact O-N 3.32Å; E919-K922 PolarHBondContact O-N 2.9Å; E919-Q923 WeakPolarHBondContact O-CG 3.35Å; E919-Q923 PolarHBondContact O-N 3.44Å |
| 920 | L | 87.5 | Confident | 90 | Very high | 91 Ų | 91 | 92.3 Ų | 92.3 | 48% | 0.476 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.9 | -36.6 | 176.5 | -72.1 | 173 | 0 | 0 | 0 | 111.8 | K916 V917 Q923 N924 | K916-L920 HydrophobicContact CG-CD1 4.41Å; K916-L920 WeakPolarHBondContact O-CB 3.35Å; K916-L920 WeakPolarHBondContact O-CG 3.44Å; K916-L920 PolarHBondContact O-N 3.1Å; V917-L920 PolarHBondContact O-N 3.03Å; L920-Q923 PolarHBondContact O-N 3.26Å; L920-N924 VanDerWaalsContact O-CB 3.31Å; L920-N924 WeakPolarHBondContact O-CB 3.47Å; L920-N924 PolarHBondContact O-N 3.45Å |
| 921 | Q | 90.6 | Very high | 89.8 | Confident | 103 Ų | 103 | 95 Ų | 95 | 48% | 0.481 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.8 | -48.1 | 173.9 | -77.5 | 176.8 | -8.8 | 0 | 0 | 111.3 | V917 D918 E919 Q923 N924 E925 | V917-Q921 HydrophobicContact CG1-CG 4.36Å; V917-Q921 WeakPolarHBondContact O-CB 3.45Å; V917-Q921 VanDerWaalsContact O-CG 3.3Å; V917-Q921 WeakPolarHBondContact O-CG 3.39Å; V917-Q921 PolarHBondContact O-N 3.12Å; D918-Q921 PolarHBondContact O-N 3.34Å; E919-Q921 VanDerWaalsContact C-N 3.31Å; E919-Q921 PolarHBondContact O-N 3.32Å; Q921-Q923 VanDerWaalsContact C-N 3.32Å; Q921-Q923 PolarHBondContact O-N 2.86Å; Q921-N924 PolarHBondContact O-N 3.45Å; Q921-N924 VanDerWaalsContact O-N 3.15Å; Q921-E925 WeakPolarHBondContact O-CG 3.49Å; Q921-E925 PolarHBondContact O-N 2.87Å |
| 922 | K | 91.4 | Very high | 89.8 | Confident | 148 Ų | 148 | 99.2 Ų | 99.2 | 64% | 0.643 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -60.2 | -40.9 | 175.4 | -73.1 | 173.8 | -176.8 | 174.1 | 0 | 112.4 | D918 E919 E925 S926 | D918-K922 WeakPolarHBondContact O-CG 3.42Å; D918-K922 PolarHBondContact O-N 2.91Å; E919-K922 PolarHBondContact O-N 2.9Å; K922-E925 PolarHBondContact O-N 2.96Å; K922-S926 WeakPolarHBondContact O-CB 3.34Å; K922-S926 PolarHBondContact O-N 2.93Å |
| 923 | Q | 90.2 | Very high | 89.7 | Confident | 102 Ų | 102 | 98.4 Ų | 98.4 | 48% | 0.477 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.7 | -42.2 | 175 | -73.6 | -177.2 | -6.4 | 0 | 0 | 111.6 | E919 L920 Q921 S926 M927 | E919-Q923 WeakPolarHBondContact O-CG 3.35Å; E919-Q923 PolarHBondContact O-N 3.44Å; L920-Q923 PolarHBondContact O-N 3.26Å; Q921-Q923 VanDerWaalsContact C-N 3.32Å; Q921-Q923 PolarHBondContact O-N 2.86Å; Q923-S926 WeakPolarHBondContact O-CB 3.47Å; Q923-S926 PolarHBondContact O-N 3.3Å; Q923-M927 WeakPolarHBondContact O-CB 3.3Å; Q923-M927 WeakPolarHBondContact O-CG 3.39Å; Q923-M927 PolarHBondContact O-N 2.99Å |
| 924 | N | 89.4 | Confident | 89.8 | Confident | 105 Ų | 105 | 100.7 Ų | 100.7 | 56% | 0.561 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -66.7 | -38.8 | 177.7 | -170.4 | 45.3 | 0 | 0 | 0 | 112.5 | L920 Q921 M927 S928 | L920-N924 VanDerWaalsContact O-CB 3.31Å; L920-N924 WeakPolarHBondContact O-CB 3.47Å; L920-N924 PolarHBondContact O-N 3.45Å; Q921-N924 PolarHBondContact O-N 3.45Å; Q921-N924 VanDerWaalsContact O-N 3.15Å; N924-M927 PolarHBondContact O-N 2.88Å; N924-S928 VanDerWaalsContact O-CB 3.26Å; N924-S928 WeakPolarHBondContact O-CB 3.36Å; N924-S928 PolarHBondContact O-N 3.21Å; N924-S928 PolarHBondContact O-OG 3.47Å |
| 925 | E | 91.5 | Very high | 89.7 | Confident | 128 Ų | 128 | 99.5 Ų | 99.5 | 60% | 0.598 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -62.6 | -45.4 | 173.4 | -73.9 | 172.8 | -179.5 | 0 | 0 | 111.5 | Q921 K922 S928 Q929 | Q921-E925 WeakPolarHBondContact O-CG 3.49Å; Q921-E925 PolarHBondContact O-N 2.87Å; K922-E925 PolarHBondContact O-N 2.96Å; E925-S928 PolarHBondContact O-N 3.25Å; E925-Q929 PolarHBondContact O-N 3.45Å |
| 926 | S | 90.3 | Very high | 89.5 | Confident | 55 Ų | 55 | 98.4 Ų | 98.4 | 39% | 0.385 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -58.7 | -47 | 174.5 | 172 | 0 | 0 | 0 | 0 | 111.7 | K922 Q923 Q929 R930 | K922-S926 WeakPolarHBondContact O-CB 3.34Å; K922-S926 PolarHBondContact O-N 2.93Å; Q923-S926 WeakPolarHBondContact O-CB 3.47Å; Q923-S926 PolarHBondContact O-N 3.3Å; S926-Q929 PolarHBondContact O-N 3.34Å; S926-R930 WeakPolarHBondContact O-CG 3.47Å; S926-R930 PolarHBondContact O-N 3.43Å |
| 927 | M | 85.5 | Confident | 89.5 | Confident | 85 Ų | 85 | 98.5 Ų | 98.5 | 42% | 0.419 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64 | -42 | 176.5 | -74.5 | -61.7 | -65.6 | 0 | 0 | 111.9 | Q923 N924 Q929 R930 W931 | Q923-M927 WeakPolarHBondContact O-CB 3.3Å; Q923-M927 WeakPolarHBondContact O-CG 3.39Å; Q923-M927 PolarHBondContact O-N 2.99Å; N924-M927 PolarHBondContact O-N 2.88Å; M927-Q929 VanDerWaalsContact C-N 3.32Å; M927-Q929 PolarHBondContact O-N 2.69Å; M927-R930 PolarHBondContact O-N 3.12Å; M927-W931 PolarHBondContact O-N 2.85Å |
| 928 | S | 88.4 | Confident | 89.4 | Confident | 51 Ų | 51 | 99.5 Ų | 99.5 | 36% | 0.357 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.4 | -35.4 | 177.7 | -62.1 | 0 | 0 | 0 | 0 | 112.4 | N924 E925 R932 | N924-S928 VanDerWaalsContact O-CB 3.26Å; N924-S928 WeakPolarHBondContact O-CB 3.36Å; N924-S928 PolarHBondContact O-N 3.21Å; N924-S928 PolarHBondContact O-OG 3.47Å; E925-S928 PolarHBondContact O-N 3.25Å; S928-R932 PolarHBondContact O-N 3.48Å |
| 929 | Q | 90.9 | Very high | 89.2 | Confident | 76 Ų | 76 | 100 Ų | 100 | 36% | 0.355 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.8 | -46.9 | 172.2 | -176.1 | 64.1 | 53.1 | 0 | 0 | 111.2 | E925 S926 M927 W931 R932 D933 | E925-Q929 PolarHBondContact O-N 3.45Å; S926-Q929 PolarHBondContact O-N 3.34Å; M927-Q929 VanDerWaalsContact C-N 3.32Å; M927-Q929 PolarHBondContact O-N 2.69Å; Q929-W931 VanDerWaalsContact C-N 3.27Å; Q929-W931 PolarHBondContact O-N 3.45Å; Q929-R932 WeakPolarHBondContact O-CB 3.29Å; Q929-R932 PolarHBondContact O-N 3.1Å; Q929-R932 VanDerWaalsContact O-N 3.1Å; Q929-D933 PolarHBondContact NE2-OD1 2.98Å; Q929-D933 VanDerWaalsContact O-CG 3.23Å; Q929-D933 PolarHBondContact O-N 3.34Å |
| 930 | R | 91.1 | Very high | 89.1 | Confident | 146 Ų | 146 | 101.8 Ų | 101.8 | 55% | 0.551 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -59.5 | -38 | 176.1 | -68.7 | 176.5 | -173.2 | -171.3 | -1.2 | 112.3 | S926 M927 D933 R934 | S926-R930 WeakPolarHBondContact O-CG 3.47Å; S926-R930 PolarHBondContact O-N 3.43Å; M927-R930 PolarHBondContact O-N 3.12Å; R930-D933 PolarHBondContact O-N 2.94Å; R930-R934 WeakPolarHBondContact O-CB 3.46Å; R930-R934 WeakPolarHBondContact O-CG 3.41Å; R930-R934 PolarHBondContact O-N 3.04Å |
| 931 | W | 84.4 | Confident | 89.2 | Confident | 149 Ų | 149 | 101.5 Ų | 101.5 | 56% | 0.564 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.4 | -45.4 | 173.7 | -80 | 116.6 | 0 | 0 | 0 | 111.9 | M927 Q929 D933 R934 T935 | M927-W931 PolarHBondContact O-N 2.85Å; Q929-W931 VanDerWaalsContact C-N 3.27Å; Q929-W931 PolarHBondContact O-N 3.45Å; W931-D933 VanDerWaalsContact C-N 3.32Å; W931-D933 PolarHBondContact O-N 3.36Å; W931-R934 PolarHBondContact O-N 2.93Å; W931-T935 PolarHBondContact O-N 3.47Å; W931-T935 PolarHBondContact O-OG1 3.45Å; W931-T935 VanDerWaalsContact O-OG1 3.07Å |
| 932 | R | 89.9 | Confident | 89.1 | Confident | 150 Ų | 150 | 102.2 Ų | 102.2 | 57% | 0.566 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -58.8 | -41.8 | 174.5 | -79.9 | -173.7 | -78.5 | 129.3 | -1.3 | 112.6 | S928 Q929 T935 S936 | S928-R932 PolarHBondContact O-N 3.48Å; Q929-R932 WeakPolarHBondContact O-CB 3.29Å; Q929-R932 PolarHBondContact O-N 3.1Å; Q929-R932 VanDerWaalsContact O-N 3.1Å; R932-T935 PolarHBondContact O-N 3.1Å; R932-S936 WeakPolarHBondContact O-CB 3.46Å; R932-S936 PolarHBondContact O-N 3.47Å |
| 933 | D | 90.5 | Very high | 89.1 | Confident | 90 Ų | 90 | 102.1 Ų | 102.1 | 48% | 0.481 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66 | -41.4 | 178.5 | -60.7 | -20.6 | 0 | 0 | 0 | 111.4 | Q929 R930 W931 S936 L937 | Q929-D933 PolarHBondContact NE2-OD1 2.98Å; Q929-D933 VanDerWaalsContact O-CG 3.23Å; Q929-D933 PolarHBondContact O-N 3.34Å; R930-D933 PolarHBondContact O-N 2.94Å; W931-D933 VanDerWaalsContact C-N 3.32Å; W931-D933 PolarHBondContact O-N 3.36Å; D933-S936 PolarHBondContact O-N 2.88Å; D933-L937 PolarHBondContact O-N 3.04Å |
| 934 | R | 90.9 | Very high | 89.1 | Confident | 146 Ų | 146 | 102.4 Ų | 102.4 | 55% | 0.551 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.4 | -44.8 | 174.8 | -76.4 | 176.1 | 173.1 | 178.8 | -3.2 | 112.3 | R930 W931 S936 L937 I938 | R930-R934 WeakPolarHBondContact O-CB 3.46Å; R930-R934 WeakPolarHBondContact O-CG 3.41Å; R930-R934 PolarHBondContact O-N 3.04Å; W931-R934 PolarHBondContact O-N 2.93Å; R934-S936 VanDerWaalsContact C-N 3.32Å; R934-S936 PolarHBondContact O-N 3.23Å; R934-L937 WeakPolarHBondContact O-CB 3.27Å; R934-L937 PolarHBondContact O-N 2.9Å; R934-L937 VanDerWaalsContact O-N 3.16Å; R934-I938 WeakPolarHBondContact O-CG1 3.46Å; R934-I938 PolarHBondContact O-N 3.32Å |
| 935 | T | 87.9 | Confident | 89 | Confident | 74 Ų | 74 | 102 Ų | 102 | 45% | 0.454 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.8 | -43.7 | 174.5 | -58.8 | 0 | 0 | 0 | 0 | 110.9 | W931 R932 L937 I938 D939 | W931-T935 PolarHBondContact O-N 3.47Å; W931-T935 PolarHBondContact O-OG1 3.45Å; W931-T935 VanDerWaalsContact O-OG1 3.07Å; R932-T935 PolarHBondContact O-N 3.1Å; T935-L937 VanDerWaalsContact C-N 3.29Å; T935-L937 PolarHBondContact O-N 2.94Å; T935-I938 PolarHBondContact O-N 2.85Å; T935-D939 PolarHBondContact O-N 3.41Å |
| 936 | S | 87.5 | Confident | 88.9 | Confident | 52 Ų | 52 | 99.7 Ų | 99.7 | 36% | 0.364 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.4 | -35.1 | 175.6 | -177.7 | 0 | 0 | 0 | 0 | 113 | R932 D933 R934 K940 | R932-S936 WeakPolarHBondContact O-CB 3.46Å; R932-S936 PolarHBondContact O-N 3.47Å; D933-S936 PolarHBondContact O-N 2.88Å; R934-S936 VanDerWaalsContact C-N 3.32Å; R934-S936 PolarHBondContact O-N 3.23Å; S936-K940 VanDerWaalsContact O-CG 3.29Å; S936-K940 WeakPolarHBondContact O-CG 3.23Å; S936-K940 PolarHBondContact O-N 2.84Å |
| 937 | L | 90.4 | Very high | 88.9 | Confident | 100 Ų | 100 | 103 Ų | 103 | 52% | 0.524 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69.3 | -42.9 | 175.1 | -176.9 | 63.9 | 0 | 0 | 0 | 111.5 | D933 R934 T935 K940 L941 | D933-L937 PolarHBondContact O-N 3.04Å; R934-L937 WeakPolarHBondContact O-CB 3.27Å; R934-L937 PolarHBondContact O-N 2.9Å; R934-L937 VanDerWaalsContact O-N 3.16Å; T935-L937 VanDerWaalsContact C-N 3.29Å; T935-L937 PolarHBondContact O-N 2.94Å; L937-K940 WeakPolarHBondContact O-CB 3.48Å; L937-K940 PolarHBondContact O-N 3.23Å; L937-L941 HydrophobicContact CG-CD1 4.21Å; L937-L941 WeakPolarHBondContact O-CG 3.44Å; L937-L941 PolarHBondContact O-N 3.46Å |
| 938 | I | 86.5 | Confident | 89 | Confident | 86 Ų | 86 | 105.5 Ų | 105.5 | 44% | 0.441 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.7 | -49.3 | 175.4 | -68.1 | 165.7 | 0 | 0 | 0 | 109.8 | R934 T935 K940 L941 E942 | R934-I938 WeakPolarHBondContact O-CG1 3.46Å; R934-I938 PolarHBondContact O-N 3.32Å; T935-I938 PolarHBondContact O-N 2.85Å; I938-K940 PolarHBondContact O-N 3.07Å; I938-K940 VanDerWaalsContact O-N 3.17Å; I938-L941 CarbonylContact O-C 3.34Å; I938-L941 PolarHBondContact O-N 3.3Å; I938-E942 HydrophobicContact CG2-CG 4.1Å; I938-E942 WeakPolarHBondContact CG2-OE1 3.44Å; I938-E942 WeakPolarHBondContact O-CB 3.37Å; I938-E942 WeakPolarHBondContact O-CG 3.39Å; I938-E942 PolarHBondContact O-N 3.08Å |
| 939 | D | 85.8 | Confident | 88.9 | Confident | 75 Ų | 75 | 109.1 Ų | 109.1 | 40% | 0.401 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -55.5 | -37.1 | 176.3 | -78.3 | -1.3 | 0 | 0 | 0 | 112.8 | T935 K943 | T935-D939 PolarHBondContact O-N 3.41Å; D939-K943 WeakPolarHBondContact O-CB 3.32Å; D939-K943 VanDerWaalsContact O-CG 3.26Å; D939-K943 WeakPolarHBondContact O-CG 3.43Å; D939-K943 PolarHBondContact O-N 3.42Å; D939-K943 VanDerWaalsContact O-N 3.13Å |
| 940 | K | 91.4 | Very high | 88.9 | Confident | 125 Ų | 125 | 109.7 Ų | 109.7 | 54% | 0.543 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70.2 | -44.3 | 176.8 | -74.1 | 170.4 | -173.5 | 173.4 | 0 | 111.4 | S936 L937 I938 K943 Q944 | S936-K940 VanDerWaalsContact O-CG 3.29Å; S936-K940 WeakPolarHBondContact O-CG 3.23Å; S936-K940 PolarHBondContact O-N 2.84Å; L937-K940 WeakPolarHBondContact O-CB 3.48Å; L937-K940 PolarHBondContact O-N 3.23Å; I938-K940 PolarHBondContact O-N 3.07Å; I938-K940 VanDerWaalsContact O-N 3.17Å; K940-K943 PolarHBondContact O-N 3.17Å; K940-Q944 WeakPolarHBondContact O-CG 3.41Å; K940-Q944 PolarHBondContact O-N 3.38Å |
| 941 | L | 89.4 | Confident | 88.9 | Confident | 86 Ų | 86 | 107.1 Ų | 107.1 | 45% | 0.45 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.6 | -42.5 | 178 | -71 | 172.6 | 0 | 0 | 0 | 111.1 | L937 I938 K943 Q944 V945 | L937-L941 HydrophobicContact CG-CD1 4.21Å; L937-L941 WeakPolarHBondContact O-CG 3.44Å; L937-L941 PolarHBondContact O-N 3.46Å; I938-L941 CarbonylContact O-C 3.34Å; I938-L941 PolarHBondContact O-N 3.3Å; L941-K943 VanDerWaalsContact C-N 3.35Å; L941-K943 PolarHBondContact O-N 2.9Å; L941-Q944 PolarHBondContact O-N 3.44Å; L941-V945 WeakPolarHBondContact O-CB 3.36Å; L941-V945 VanDerWaalsContact O-CG2 3.29Å; L941-V945 WeakPolarHBondContact O-CG2 3.49Å; L941-V945 PolarHBondContact O-N 3.46Å |
| 942 | E | 88 | Confident | 89.1 | Confident | 118 Ų | 118 | 107.2 Ų | 107.2 | 55% | 0.551 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -58.9 | -45.3 | 174.7 | -73.6 | 178.7 | 174.1 | 0 | 0 | 111.4 | I938 Q944 V945 E946 | I938-E942 HydrophobicContact CG2-CG 4.1Å; I938-E942 WeakPolarHBondContact CG2-OE1 3.44Å; I938-E942 WeakPolarHBondContact O-CB 3.37Å; I938-E942 WeakPolarHBondContact O-CG 3.39Å; I938-E942 PolarHBondContact O-N 3.08Å; E942-Q944 VanDerWaalsContact C-N 3.35Å; E942-Q944 PolarHBondContact O-N 3.15Å; E942-V945 PolarHBondContact O-N 3.49Å; E942-E946 WeakPolarHBondContact O-CB 3.45Å; E942-E946 PolarHBondContact O-N 2.88Å |
| 943 | K | 90.9 | Very high | 89.1 | Confident | 145 Ų | 145 | 103.6 Ų | 103.6 | 63% | 0.63 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.3 | -38.8 | 175 | -75 | 173.1 | -175.6 | 174.4 | 0 | 112.9 | D939 K940 L941 Q947 | D939-K943 WeakPolarHBondContact O-CB 3.32Å; D939-K943 VanDerWaalsContact O-CG 3.26Å; D939-K943 WeakPolarHBondContact O-CG 3.43Å; D939-K943 PolarHBondContact O-N 3.42Å; D939-K943 VanDerWaalsContact O-N 3.13Å; K940-K943 PolarHBondContact O-N 3.17Å; L941-K943 VanDerWaalsContact C-N 3.35Å; L941-K943 PolarHBondContact O-N 2.9Å; K943-Q947 WeakPolarHBondContact O-CG 3.2Å; K943-Q947 PolarHBondContact O-N 2.94Å |
| 944 | Q | 90.5 | Very high | 89.1 | Confident | 109 Ų | 109 | 105.5 Ų | 105.5 | 51% | 0.509 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.2 | -43 | 175.6 | -77.4 | 179.3 | -16.1 | 0 | 0 | 111.5 | K940 L941 E942 E946 Q947 M948 | K940-Q944 WeakPolarHBondContact O-CG 3.41Å; K940-Q944 PolarHBondContact O-N 3.38Å; L941-Q944 PolarHBondContact O-N 3.44Å; E942-Q944 VanDerWaalsContact C-N 3.35Å; E942-Q944 PolarHBondContact O-N 3.15Å; Q944-E946 VanDerWaalsContact C-N 3.35Å; Q944-Q947 PolarHBondContact O-N 3.49Å; Q944-M948 WeakPolarHBondContact O-CG 3.41Å; Q944-M948 PolarHBondContact O-N 2.99Å |
| 945 | V | 86.3 | Confident | 89 | Confident | 96 Ų | 96 | 104 Ų | 104 | 58% | 0.582 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.2 | -41.9 | 176.3 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | L941 E942 M948 R949 | L941-V945 WeakPolarHBondContact O-CB 3.36Å; L941-V945 VanDerWaalsContact O-CG2 3.29Å; L941-V945 WeakPolarHBondContact O-CG2 3.49Å; L941-V945 PolarHBondContact O-N 3.46Å; E942-V945 PolarHBondContact O-N 3.49Å; V945-M948 PolarHBondContact O-N 2.89Å; V945-R949 WeakPolarHBondContact O-CB 3.46Å; V945-R949 PolarHBondContact O-N 3.33Å |
| 946 | E | 90.4 | Very high | 89 | Confident | 79 Ų | 79 | 104.7 Ų | 104.7 | 37% | 0.369 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 175.8 | -169 | 64 | -159.3 | 0 | 0 | 111.6 | E942 Q944 R949 L950 | E942-E946 WeakPolarHBondContact O-CB 3.45Å; E942-E946 PolarHBondContact O-N 2.88Å; Q944-E946 VanDerWaalsContact C-N 3.35Å; E946-R949 PolarHBondContact O-N 3.19Å; E946-R949 IonicContact OE1-CZ 3.94Å; E946-R949 IonicContact OE1-NH1 3.78Å; E946-R949 PolarHBondContact OE1-NH1 3.03Å; E946-R949 IonicContact OE1-NH2 3.13Å; E946-R949 PolarHBondContact OE1-NH2 3.41Å; E946-R949 IonicContact OE2-CZ 3.22Å; E946-R949 IonicContact OE2-NH1 3.42Å; E946-R949 PolarHBondContact OE2-NH1 2.78Å; E946-L950 WeakPolarHBondContact O-CG 3.44Å; E946-L950 PolarHBondContact O-N 2.89Å |
| 947 | Q | 89.6 | Confident | 89.2 | Confident | 126 Ų | 126 | 108.7 Ų | 108.7 | 59% | 0.589 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.9 | -44.2 | 173.9 | -79.7 | -177.3 | -19.4 | 0 | 0 | 112.2 | K943 Q944 R949 L950 N951 | K943-Q947 WeakPolarHBondContact O-CG 3.2Å; K943-Q947 PolarHBondContact O-N 2.94Å; Q944-Q947 PolarHBondContact O-N 3.49Å; Q947-R949 VanDerWaalsContact C-N 3.29Å; Q947-R949 PolarHBondContact O-N 3.49Å; Q947-L950 PolarHBondContact O-N 3.45Å; Q947-N951 PolarHBondContact O-N 2.87Å; Q947-N951 PolarHBondContact O-OD1 3.34Å |
| 948 | M | 87.5 | Confident | 89.3 | Confident | 136 Ų | 136 | 109.5 Ų | 109.5 | 67% | 0.67 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.2 | -38.8 | 176 | -73.4 | 179.6 | 65 | 0 | 0 | 111.7 | Q944 V945 N951 W952 | Q944-M948 WeakPolarHBondContact O-CG 3.41Å; Q944-M948 PolarHBondContact O-N 2.99Å; V945-M948 PolarHBondContact O-N 2.89Å; M948-N951 PolarHBondContact O-N 3.36Å; M948-W952 WeakPolarHBondContact O-CB 3.48Å; M948-W952 PolarHBondContact O-N 3.13Å |
| 949 | R | 87.9 | Confident | 89.2 | Confident | 127 Ų | 127 | 110.6 Ų | 110.6 | 48% | 0.479 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.3 | -46.6 | 176.7 | -160.3 | -174.4 | 98.8 | -135.2 | -3.9 | 111.5 | V945 E946 Q947 N951 W952 D953 | V945-R949 WeakPolarHBondContact O-CB 3.46Å; V945-R949 PolarHBondContact O-N 3.33Å; E946-R949 PolarHBondContact O-N 3.19Å; E946-R949 IonicContact OE1-CZ 3.94Å; E946-R949 IonicContact OE1-NH1 3.78Å; E946-R949 PolarHBondContact OE1-NH1 3.03Å; E946-R949 IonicContact OE1-NH2 3.13Å; E946-R949 PolarHBondContact OE1-NH2 3.41Å; E946-R949 IonicContact OE2-CZ 3.22Å; E946-R949 IonicContact OE2-NH1 3.42Å; E946-R949 PolarHBondContact OE2-NH1 2.78Å; Q947-R949 VanDerWaalsContact C-N 3.29Å; Q947-R949 PolarHBondContact O-N 3.49Å; R949-N951 PolarHBondContact O-N 3.08Å; R949-W952 PolarHBondContact O-N 3.45Å; R949-D953 IonicContact NE-OD2 3.95Å; R949-D953 VanDerWaalsContact O-CG 3.28Å; R949-D953 PolarHBondContact O-N 2.91Å |
| 950 | L | 90.1 | Very high | 89.3 | Confident | 88 Ų | 88 | 110 Ų | 110 | 46% | 0.461 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.2 | -44.4 | 176.8 | -74 | 169.5 | 0 | 0 | 0 | 111.9 | E946 Q947 W952 D953 E954 | E946-L950 WeakPolarHBondContact O-CG 3.44Å; E946-L950 PolarHBondContact O-N 2.89Å; Q947-L950 PolarHBondContact O-N 3.45Å; L950-W952 VanDerWaalsContact C-N 3.34Å; L950-W952 PolarHBondContact O-N 3.06Å; L950-D953 PolarHBondContact O-N 2.84Å; L950-E954 WeakPolarHBondContact O-CG 3.47Å; L950-E954 PolarHBondContact O-N 3.18Å |
| 951 | N | 90.2 | Very high | 89.3 | Confident | 93 Ų | 93 | 108 Ų | 108 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 176.8 | -68 | -6.2 | 0 | 0 | 0 | 111.7 | Q947 M948 R949 E954 E955 | Q947-N951 PolarHBondContact O-N 2.87Å; Q947-N951 PolarHBondContact O-OD1 3.34Å; M948-N951 PolarHBondContact O-N 3.36Å; R949-N951 PolarHBondContact O-N 3.08Å; N951-E954 PolarHBondContact O-N 3.4Å; N951-E955 PolarHBondContact O-N 3.21Å |
| 952 | W | 89.7 | Confident | 89.3 | Confident | 151 Ų | 151 | 110.2 Ų | 110.2 | 57% | 0.572 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.4 | -43.1 | 176 | 178.3 | -92.7 | 0 | 0 | 0 | 112.1 | M948 R949 L950 E954 E955 Q956 | M948-W952 WeakPolarHBondContact O-CB 3.48Å; M948-W952 PolarHBondContact O-N 3.13Å; R949-W952 PolarHBondContact O-N 3.45Å; L950-W952 VanDerWaalsContact C-N 3.34Å; L950-W952 PolarHBondContact O-N 3.06Å; W952-E954 VanDerWaalsContact C-N 3.29Å; W952-E954 PolarHBondContact O-N 3.24Å; W952-E955 PolarHBondContact O-N 3.27Å; W952-Q956 WeakPolarHBondContact O-CB 3.37Å; W952-Q956 PolarHBondContact O-N 3.35Å |
| 953 | D | 90.2 | Very high | 89.3 | Confident | 74 Ų | 74 | 110 Ų | 110 | 40% | 0.396 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.1 | -37.4 | 177.6 | -71.3 | -23 | 0 | 0 | 0 | 111.4 | R949 L950 K957 | R949-D953 IonicContact NE-OD2 3.95Å; R949-D953 VanDerWaalsContact O-CG 3.28Å; R949-D953 PolarHBondContact O-N 2.91Å; L950-D953 PolarHBondContact O-N 2.84Å; D953-K957 WeakPolarHBondContact O-CB 3.37Å; D953-K957 PolarHBondContact O-N 3.39Å |
| 954 | E | 90.5 | Very high | 89.3 | Confident | 130 Ų | 130 | 105.7 Ų | 105.7 | 61% | 0.607 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.3 | -47.4 | 173.7 | -73.7 | -175.9 | 173.2 | 0 | 0 | 112.7 | L950 N951 W952 Q956 K957 L958 | L950-E954 WeakPolarHBondContact O-CG 3.47Å; L950-E954 PolarHBondContact O-N 3.18Å; N951-E954 PolarHBondContact O-N 3.4Å; W952-E954 VanDerWaalsContact C-N 3.29Å; W952-E954 PolarHBondContact O-N 3.24Å; E954-Q956 VanDerWaalsContact C-N 3.34Å; E954-Q956 PolarHBondContact O-N 3.46Å; E954-K957 PolarHBondContact O-N 2.87Å; E954-L958 WeakPolarHBondContact O-CG 3.5Å; E954-L958 PolarHBondContact O-N 3.31Å |
| 955 | E | 89.2 | Confident | 89.3 | Confident | 114 Ų | 114 | 104 Ų | 104 | 53% | 0.533 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.1 | -43.8 | 175.7 | -76.8 | -176.9 | 176.1 | 0 | 0 | 111.5 | N951 W952 K957 L958 L959 | N951-E955 PolarHBondContact O-N 3.21Å; W952-E955 PolarHBondContact O-N 3.27Å; E955-K957 VanDerWaalsContact C-N 3.3Å; E955-K957 PolarHBondContact O-N 2.99Å; E955-L958 PolarHBondContact O-N 2.88Å; E955-L959 WeakPolarHBondContact O-CG 3.39Å; E955-L959 PolarHBondContact O-N 2.79Å |
| 956 | Q | 87.8 | Confident | 89.4 | Confident | 89 Ų | 89 | 101.3 Ų | 101.3 | 42% | 0.416 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.6 | -40 | 177.8 | -171.1 | -178.4 | -50.6 | 0 | 0 | 111.1 | W952 E954 L959 I960 | W952-Q956 WeakPolarHBondContact O-CB 3.37Å; W952-Q956 PolarHBondContact O-N 3.35Å; E954-Q956 VanDerWaalsContact C-N 3.34Å; E954-Q956 PolarHBondContact O-N 3.46Å; Q956-L959 PolarHBondContact O-N 3.49Å; Q956-I960 HydrophobicContact CG-CD1 4.12Å; Q956-I960 WeakPolarHBondContact O-CD1 3.35Å; Q956-I960 VanDerWaalsContact O-CG1 3.24Å; Q956-I960 WeakPolarHBondContact O-CG1 3.41Å; Q956-I960 PolarHBondContact O-N 3.33Å |
| 957 | K | 91 | Very high | 89.2 | Confident | 136 Ų | 136 | 104.8 Ų | 104.8 | 59% | 0.591 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.3 | -45.2 | 175.3 | -175.9 | -179.6 | 176.2 | -173.1 | 0 | 111.7 | D953 E954 E955 L959 I960 D961 | D953-K957 WeakPolarHBondContact O-CB 3.37Å; D953-K957 PolarHBondContact O-N 3.39Å; E954-K957 PolarHBondContact O-N 2.87Å; E955-K957 VanDerWaalsContact C-N 3.3Å; E955-K957 PolarHBondContact O-N 2.99Å; K957-L959 VanDerWaalsContact C-N 3.34Å; K957-L959 PolarHBondContact O-N 3.12Å; K957-I960 PolarHBondContact O-N 2.89Å; K957-D961 PolarHBondContact O-N 3.38Å |
| 958 | L | 91.8 | Very high | 89.3 | Confident | 117 Ų | 117 | 106 Ų | 106 | 61% | 0.613 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.2 | -43.5 | 176.6 | -71.9 | 169.7 | 0 | 0 | 0 | 112 | E954 E955 I960 D961 E962 | E954-L958 WeakPolarHBondContact O-CG 3.5Å; E954-L958 PolarHBondContact O-N 3.31Å; E955-L958 PolarHBondContact O-N 2.88Å; L958-I960 VanDerWaalsContact C-N 3.34Å; L958-I960 PolarHBondContact O-N 2.76Å; L958-D961 PolarHBondContact O-N 3.3Å; L958-E962 WeakPolarHBondContact O-CB 3.26Å; L958-E962 PolarHBondContact O-N 3.5Å |
| 959 | L | 85.7 | Confident | 89.4 | Confident | 109 Ų | 109 | 105 Ų | 105 | 57% | 0.571 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.1 | -36.5 | 177 | -71.4 | 171.8 | 0 | 0 | 0 | 112.5 | E955 Q956 K957 R963 | E955-L959 WeakPolarHBondContact O-CG 3.39Å; E955-L959 PolarHBondContact O-N 2.79Å; Q956-L959 PolarHBondContact O-N 3.49Å; K957-L959 VanDerWaalsContact C-N 3.34Å; K957-L959 PolarHBondContact O-N 3.12Å; L959-R963 VanDerWaalsContact O-CB 3.23Å; L959-R963 WeakPolarHBondContact O-CB 3.03Å; L959-R963 PolarHBondContact O-N 3.42Å |
| 960 | I | 87.2 | Confident | 89.4 | Confident | 63 Ų | 63 | 104.4 Ų | 104.4 | 32% | 0.323 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.7 | -45.5 | 174.6 | -71.2 | 165.8 | 0 | 0 | 0 | 110.4 | Q956 K957 L958 R963 D964 | Q956-I960 HydrophobicContact CG-CD1 4.12Å; Q956-I960 WeakPolarHBondContact O-CD1 3.35Å; Q956-I960 VanDerWaalsContact O-CG1 3.24Å; Q956-I960 WeakPolarHBondContact O-CG1 3.41Å; Q956-I960 PolarHBondContact O-N 3.33Å; K957-I960 PolarHBondContact O-N 2.89Å; L958-I960 VanDerWaalsContact C-N 3.34Å; L958-I960 PolarHBondContact O-N 2.76Å; I960-R963 PolarHBondContact O-N 3.44Å; I960-D964 WeakPolarHBondContact O-CB 3.42Å; I960-D964 VanDerWaalsContact O-CG 3.27Å; I960-D964 PolarHBondContact O-N 2.95Å |
| 961 | D | 90.9 | Very high | 89.3 | Confident | 82 Ų | 82 | 103.9 Ų | 103.9 | 44% | 0.439 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.3 | -44 | 178.6 | -71.9 | -19.9 | 0 | 0 | 0 | 110.8 | K957 L958 D964 T965 | K957-D961 PolarHBondContact O-N 3.38Å; L958-D961 PolarHBondContact O-N 3.3Å; D961-D964 PolarHBondContact O-N 2.72Å; D961-T965 WeakPolarHBondContact O-CB 3.47Å; D961-T965 PolarHBondContact O-N 3.29Å; D961-T965 PolarHBondContact O-OG1 3.21Å |
| 962 | E | 90.1 | Very high | 89.3 | Confident | 132 Ų | 132 | 105.7 Ų | 105.7 | 62% | 0.617 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.7 | -47.6 | 175.2 | -173.9 | 178.1 | -173.6 | 0 | 0 | 111.5 | L958 D964 T965 A966 | L958-E962 WeakPolarHBondContact O-CB 3.26Å; L958-E962 PolarHBondContact O-N 3.5Å; E962-D964 VanDerWaalsContact C-N 3.3Å; E962-D964 PolarHBondContact O-N 3.32Å; E962-T965 PolarHBondContact O-N 3.23Å; E962-A966 PolarHBondContact O-N 3.23Å |
| 963 | R | 87.9 | Confident | 89.3 | Confident | 113 Ų | 113 | 103.8 Ų | 103.8 | 43% | 0.426 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -57.2 | -44 | 175.6 | -177.6 | -155.9 | 73.4 | -167.9 | -3.2 | 111.6 | L959 I960 T965 A966 R967 | L959-R963 VanDerWaalsContact O-CB 3.23Å; L959-R963 WeakPolarHBondContact O-CB 3.03Å; L959-R963 PolarHBondContact O-N 3.42Å; I960-R963 PolarHBondContact O-N 3.44Å; R963-T965 VanDerWaalsContact C-N 3.33Å; R963-A966 PolarHBondContact O-N 3.47Å; R963-R967 WeakPolarHBondContact O-CB 3.26Å; R963-R967 VanDerWaalsContact O-CG 3.3Å; R963-R967 WeakPolarHBondContact O-CG 3.32Å; R963-R967 PolarHBondContact O-N 3.48Å |
| 964 | D | 90.3 | Very high | 89.2 | Confident | 56 Ų | 56 | 104.9 Ų | 104.9 | 30% | 0.299 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -72.5 | -30.3 | -177.6 | -72.1 | -10.8 | 0 | 0 | 0 | 111.9 | I960 D961 E962 K968 | I960-D964 WeakPolarHBondContact O-CB 3.42Å; I960-D964 VanDerWaalsContact O-CG 3.27Å; I960-D964 PolarHBondContact O-N 2.95Å; D961-D964 PolarHBondContact O-N 2.72Å; E962-D964 VanDerWaalsContact C-N 3.3Å; E962-D964 PolarHBondContact O-N 3.32Å; D964-K968 WeakPolarHBondContact O-CG 3.16Å; D964-K968 PolarHBondContact O-N 2.77Å; D964-K968 VanDerWaalsContact O-N 3.1Å |
| 965 | T | 90.3 | Very high | 89.2 | Confident | 73 Ų | 73 | 101.6 Ų | 101.6 | 45% | 0.448 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.4 | -50 | 171 | -47.1 | 0 | 0 | 0 | 0 | 110.5 | D961 E962 R963 R967 K968 E969 | D961-T965 WeakPolarHBondContact O-CB 3.47Å; D961-T965 PolarHBondContact O-N 3.29Å; D961-T965 PolarHBondContact O-OG1 3.21Å; E962-T965 PolarHBondContact O-N 3.23Å; R963-T965 VanDerWaalsContact C-N 3.33Å; T965-R967 VanDerWaalsContact C-N 3.31Å; T965-R967 PolarHBondContact O-N 3.36Å; T965-K968 WeakPolarHBondContact O-CB 3.3Å; T965-K968 PolarHBondContact O-N 3.3Å; T965-K968 VanDerWaalsContact O-N 3.1Å; T965-E969 PolarHBondContact O-N 3.17Å |
| 966 | A | 89 | Confident | 89.3 | Confident | 40 Ų | 40 | 101.5 Ų | 101.5 | 33% | 0.331 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.5 | -38.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | E962 R963 K968 E969 I970 | E962-A966 PolarHBondContact O-N 3.23Å; R963-A966 PolarHBondContact O-N 3.47Å; A966-K968 VanDerWaalsContact C-N 3.35Å; A966-K968 PolarHBondContact O-N 3.29Å; A966-E969 PolarHBondContact O-N 3.33Å; A966-I970 WeakPolarHBondContact O-CB 3.5Å; A966-I970 VanDerWaalsContact O-CG1 3.27Å; A966-I970 WeakPolarHBondContact O-CG1 3.49Å; A966-I970 PolarHBondContact O-N 3.01Å |
| 967 | R | 87.3 | Confident | 89.3 | Confident | 152 Ų | 152 | 101.9 Ų | 101.9 | 57% | 0.574 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.6 | -39.2 | 174.6 | -79.8 | 176.4 | 172.3 | -164.7 | -2.7 | 112.5 | R963 T965 S971 | R963-R967 WeakPolarHBondContact O-CB 3.26Å; R963-R967 VanDerWaalsContact O-CG 3.3Å; R963-R967 WeakPolarHBondContact O-CG 3.32Å; R963-R967 PolarHBondContact O-N 3.48Å; T965-R967 VanDerWaalsContact C-N 3.31Å; T965-R967 PolarHBondContact O-N 3.36Å; R967-S971 WeakPolarHBondContact O-CB 3.08Å; R967-S971 PolarHBondContact O-N 3.47Å |
| 968 | K | 90.2 | Very high | 89.2 | Confident | 151 Ų | 151 | 100.8 Ų | 100.8 | 66% | 0.657 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.6 | -46.1 | 175.2 | -75.9 | 173.3 | -177.2 | 173.6 | 0 | 111.3 | D964 T965 A966 I970 S971 E972 | D964-K968 WeakPolarHBondContact O-CG 3.16Å; D964-K968 PolarHBondContact O-N 2.77Å; D964-K968 VanDerWaalsContact O-N 3.1Å; T965-K968 WeakPolarHBondContact O-CB 3.3Å; T965-K968 PolarHBondContact O-N 3.3Å; T965-K968 VanDerWaalsContact O-N 3.1Å; A966-K968 VanDerWaalsContact C-N 3.35Å; A966-K968 PolarHBondContact O-N 3.29Å; K968-I970 PolarHBondContact O-N 2.91Å; K968-S971 WeakPolarHBondContact O-CB 3.35Å; K968-S971 PolarHBondContact O-N 2.85Å; K968-S971 VanDerWaalsContact O-N 3.15Å; K968-E972 PolarHBondContact O-N 3.16Å |
| 969 | E | 90.5 | Very high | 89.1 | Confident | 115 Ų | 115 | 99.1 Ų | 99.1 | 54% | 0.537 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.2 | -44.8 | 177.5 | -69 | 176.1 | 171.1 | 0 | 0 | 111.8 | T965 A966 S971 E972 L973 | T965-E969 PolarHBondContact O-N 3.17Å; A966-E969 PolarHBondContact O-N 3.33Å; E969-S971 VanDerWaalsContact C-N 3.33Å; E969-S971 PolarHBondContact O-N 3.4Å; E969-E972 PolarHBondContact O-N 2.71Å; E969-L973 WeakPolarHBondContact O-CG 3.31Å; E969-L973 PolarHBondContact O-N 3.43Å |
| 970 | I | 87.6 | Confident | 89.1 | Confident | 114 Ų | 114 | 98.6 Ų | 98.6 | 59% | 0.585 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.9 | -41.9 | 175.3 | -69.7 | 167.1 | 0 | 0 | 0 | 111 | A966 K968 L973 H974 | A966-I970 WeakPolarHBondContact O-CB 3.5Å; A966-I970 VanDerWaalsContact O-CG1 3.27Å; A966-I970 WeakPolarHBondContact O-CG1 3.49Å; A966-I970 PolarHBondContact O-N 3.01Å; K968-I970 PolarHBondContact O-N 2.91Å; I970-L973 PolarHBondContact O-N 3.29Å; I970-H974 WeakPolarHBondContact O-CB 3.4Å; I970-H974 PolarHBondContact O-N 3Å |
| 971 | S | 87.8 | Confident | 89.2 | Confident | 78 Ų | 78 | 99.4 Ų | 99.4 | 55% | 0.545 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.6 | -39.6 | 177.9 | -169.7 | 0 | 0 | 0 | 0 | 112.1 | R967 K968 E969 H974 S975 | R967-S971 WeakPolarHBondContact O-CB 3.08Å; R967-S971 PolarHBondContact O-N 3.47Å; K968-S971 WeakPolarHBondContact O-CB 3.35Å; K968-S971 PolarHBondContact O-N 2.85Å; K968-S971 VanDerWaalsContact O-N 3.15Å; E969-S971 VanDerWaalsContact C-N 3.33Å; E969-S971 PolarHBondContact O-N 3.4Å; S971-H974 PolarHBondContact O-N 3.24Å; S971-S975 WeakPolarHBondContact O-CB 3.15Å; S971-S975 PolarHBondContact O-N 3.42Å |
| 972 | E | 91.1 | Very high | 89.2 | Confident | 131 Ų | 131 | 100.2 Ų | 100.2 | 61% | 0.612 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.8 | -45.4 | 173.6 | -86.8 | -177.7 | 162.8 | 0 | 0 | 111.6 | K968 E969 H974 S975 Q976 | K968-E972 PolarHBondContact O-N 3.16Å; E969-E972 PolarHBondContact O-N 2.71Å; E972-H974 VanDerWaalsContact C-N 3.35Å; E972-H974 PolarHBondContact O-N 2.93Å; E972-S975 WeakPolarHBondContact O-CB 3.33Å; E972-S975 PolarHBondContact O-N 3.29Å; E972-Q976 WeakPolarHBondContact O-CG 3.36Å; E972-Q976 PolarHBondContact O-N 3.4Å |
| 973 | L | 89.7 | Confident | 89.3 | Confident | 110 Ų | 110 | 101.7 Ų | 101.7 | 58% | 0.576 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.3 | -42.3 | 176.3 | -74.5 | 172 | 0 | 0 | 0 | 112 | E969 I970 Q976 M977 | E969-L973 WeakPolarHBondContact O-CG 3.31Å; E969-L973 PolarHBondContact O-N 3.43Å; I970-L973 PolarHBondContact O-N 3.29Å; L973-Q976 PolarHBondContact O-N 3.09Å; L973-M977 WeakPolarHBondContact O-CB 3.44Å; L973-M977 PolarHBondContact O-N 3.41Å |
| 974 | H | 87.9 | Confident | 89.3 | Confident | 98 Ų | 98 | 102.4 Ų | 102.4 | 45% | 0.454 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.9 | -40.4 | 176.6 | -173 | -164.8 | 0 | 0 | 0 | 111.5 | I970 S971 E972 M977 Q978 | I970-H974 WeakPolarHBondContact O-CB 3.4Å; I970-H974 PolarHBondContact O-N 3Å; S971-H974 PolarHBondContact O-N 3.24Å; E972-H974 VanDerWaalsContact C-N 3.35Å; E972-H974 PolarHBondContact O-N 2.93Å; H974-M977 PolarHBondContact O-N 3.39Å; H974-Q978 PolarHBondContact CE1-NE2 3.01Å; H974-Q978 PolarHBondContact NE2-NE2 3.47Å; H974-Q978 VanDerWaalsContact NE2-NE2 3.12Å; H974-Q978 WeakPolarHBondContact O-CG 3.15Å; H974-Q978 PolarHBondContact O-N 3.33Å |
| 975 | S | 89.3 | Confident | 89.2 | Confident | 61 Ų | 61 | 107.9 Ų | 107.9 | 43% | 0.427 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 174.1 | -175 | 0 | 0 | 0 | 0 | 111.8 | S971 E972 M977 Q978 I979 | S971-S975 WeakPolarHBondContact O-CB 3.15Å; S971-S975 PolarHBondContact O-N 3.42Å; E972-S975 WeakPolarHBondContact O-CB 3.33Å; E972-S975 PolarHBondContact O-N 3.29Å; S975-M977 VanDerWaalsContact C-N 3.34Å; S975-M977 PolarHBondContact O-N 2.84Å; S975-Q978 PolarHBondContact O-N 2.66Å; S975-I979 VanDerWaalsContact O-CG1 3.3Å; S975-I979 WeakPolarHBondContact O-CG1 3.33Å; S975-I979 PolarHBondContact O-N 3.5Å |
| 976 | Q | 91.2 | Very high | 89.1 | Confident | 111 Ų | 111 | 109.8 Ų | 109.8 | 52% | 0.519 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.6 | -40.7 | 175 | -71 | 178.4 | 18 | 0 | 0 | 112.2 | E972 L973 I979 M980 | E972-Q976 WeakPolarHBondContact O-CG 3.36Å; E972-Q976 PolarHBondContact O-N 3.4Å; L973-Q976 PolarHBondContact O-N 3.09Å; Q976-I979 PolarHBondContact O-N 3.33Å; Q976-M980 PolarHBondContact O-N 2.87Å |
| 977 | M | 87.9 | Confident | 89.1 | Confident | 98 Ų | 98 | 113.7 Ų | 113.7 | 48% | 0.483 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.5 | -42.5 | 177.2 | -170.5 | 163.3 | 64.6 | 0 | 0 | 111.7 | L973 H974 S975 I979 M980 D981 | L973-M977 WeakPolarHBondContact O-CB 3.44Å; L973-M977 PolarHBondContact O-N 3.41Å; H974-M977 PolarHBondContact O-N 3.39Å; S975-M977 VanDerWaalsContact C-N 3.34Å; S975-M977 PolarHBondContact O-N 2.84Å; M977-I979 VanDerWaalsContact C-N 3.33Å; M977-I979 PolarHBondContact O-N 3.5Å; M977-M980 PolarHBondContact O-N 3.19Å; M977-M980 VanDerWaalsContact O-N 3.17Å; M977-D981 PolarHBondContact O-N 3.09Å |
| 978 | Q | 89 | Confident | 89.1 | Confident | 113 Ų | 113 | 111.5 Ų | 111.5 | 53% | 0.528 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.9 | -40.8 | 173.6 | -75.1 | -178.2 | -3 | 0 | 0 | 112.1 | H974 S975 M980 D981 E982 | H974-Q978 PolarHBondContact CE1-NE2 3.01Å; H974-Q978 PolarHBondContact NE2-NE2 3.47Å; H974-Q978 VanDerWaalsContact NE2-NE2 3.12Å; H974-Q978 WeakPolarHBondContact O-CG 3.15Å; H974-Q978 PolarHBondContact O-N 3.33Å; S975-Q978 PolarHBondContact O-N 2.66Å; Q978-M980 VanDerWaalsContact C-N 3.34Å; Q978-D981 PolarHBondContact O-N 2.92Å; Q978-E982 WeakPolarHBondContact O-CB 3.05Å; Q978-E982 PolarHBondContact O-N 3.26Å |
| 979 | I | 90.4 | Very high | 89 | Confident | 82 Ų | 82 | 106.9 Ų | 106.9 | 42% | 0.421 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.3 | -39.7 | 175.3 | -67.8 | 165 | 0 | 0 | 0 | 111 | S975 Q976 M977 R983 | S975-I979 VanDerWaalsContact O-CG1 3.3Å; S975-I979 WeakPolarHBondContact O-CG1 3.33Å; S975-I979 PolarHBondContact O-N 3.5Å; Q976-I979 PolarHBondContact O-N 3.33Å; M977-I979 VanDerWaalsContact C-N 3.33Å; M977-I979 PolarHBondContact O-N 3.5Å; I979-R983 WeakPolarHBondContact O-CG 3.07Å; I979-R983 PolarHBondContact O-N 2.89Å; I979-R983 VanDerWaalsContact O-N 3.09Å |
| 980 | M | 86.4 | Confident | 88.9 | Confident | 97 Ų | 97 | 104.5 Ų | 104.5 | 48% | 0.478 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.2 | -46.3 | 174.6 | -79.5 | -166.9 | -64.7 | 0 | 0 | 112.1 | Q976 M977 Q978 E982 R983 F984 | Q976-M980 PolarHBondContact O-N 2.87Å; M977-M980 PolarHBondContact O-N 3.19Å; M977-M980 VanDerWaalsContact O-N 3.17Å; Q978-M980 VanDerWaalsContact C-N 3.34Å; M980-E982 VanDerWaalsContact C-N 3.33Å; M980-E982 PolarHBondContact O-N 3.44Å; M980-R983 WeakPolarHBondContact O-CB 3.36Å; M980-R983 PolarHBondContact O-N 3.11Å; M980-F984 HydrophobicContact CB-CE2 4.44Å; M980-F984 WeakPolarHBondContact O-CD2 3.42Å; M980-F984 PolarHBondContact O-N 2.9Å |
| 981 | D | 88.7 | Confident | 88.8 | Confident | 81 Ų | 81 | 102.1 Ų | 102.1 | 43% | 0.433 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.4 | -41 | 177.8 | -84 | -3.9 | 0 | 0 | 0 | 111.9 | M977 Q978 R983 F984 R985 | M977-D981 PolarHBondContact O-N 3.09Å; Q978-D981 PolarHBondContact O-N 2.92Å; D981-R983 VanDerWaalsContact C-N 3.35Å; D981-F984 PolarHBondContact O-N 3.5Å; D981-R985 WeakPolarHBondContact O-CG 3.46Å; D981-R985 PolarHBondContact O-N 3.35Å |
| 982 | E | 89.6 | Confident | 88.8 | Confident | 98 Ų | 98 | 103.6 Ų | 103.6 | 46% | 0.458 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 175.2 | -178.1 | 55.6 | -149.7 | 0 | 0 | 111.2 | Q978 M980 F984 R985 Q986 | Q978-E982 WeakPolarHBondContact O-CB 3.05Å; Q978-E982 PolarHBondContact O-N 3.26Å; M980-E982 VanDerWaalsContact C-N 3.33Å; M980-E982 PolarHBondContact O-N 3.44Å; E982-F984 PolarHBondContact O-N 3.29Å; E982-R985 PolarHBondContact O-N 2.9Å; E982-Q986 WeakPolarHBondContact O-CB 3.49Å; E982-Q986 VanDerWaalsContact O-CG 3.28Å; E982-Q986 WeakPolarHBondContact O-CG 3.28Å; E982-Q986 PolarHBondContact O-N 3.33Å; E982-Q986 PolarHBondContact OE1-NE2 3.18Å |
| 983 | R | 92.1 | Very high | 88.7 | Confident | 163 Ų | 163 | 103 Ų | 103 | 62% | 0.615 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.4 | -41 | 173.7 | -74.4 | 175.4 | -179.1 | 151.9 | 2.2 | 112.4 | I979 M980 D981 Q986 Q987 | I979-R983 WeakPolarHBondContact O-CG 3.07Å; I979-R983 PolarHBondContact O-N 2.89Å; I979-R983 VanDerWaalsContact O-N 3.09Å; M980-R983 WeakPolarHBondContact O-CB 3.36Å; M980-R983 PolarHBondContact O-N 3.11Å; D981-R983 VanDerWaalsContact C-N 3.35Å; R983-Q986 PolarHBondContact O-N 3.36Å; R983-Q987 WeakPolarHBondContact O-CB 3.43Å; R983-Q987 PolarHBondContact O-N 3.39Å |
| 984 | F | 88.2 | Confident | 88.5 | Confident | 129 Ų | 129 | 103.2 Ų | 103.2 | 57% | 0.566 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64.9 | -41.1 | 175.8 | -79.9 | -59.9 | 0 | 0 | 0 | 111.9 | M980 D981 E982 Q987 L988 | M980-F984 HydrophobicContact CB-CE2 4.44Å; M980-F984 WeakPolarHBondContact O-CD2 3.42Å; M980-F984 PolarHBondContact O-N 2.9Å; D981-F984 PolarHBondContact O-N 3.5Å; E982-F984 PolarHBondContact O-N 3.29Å; F984-Q987 PolarHBondContact O-N 3.23Å; F984-L988 WeakPolarHBondContact O-CB 3.17Å; F984-L988 PolarHBondContact O-N 2.85Å |
| 985 | R | 88.6 | Confident | 88.4 | Confident | 171 Ų | 171 | 105.1 Ų | 105.1 | 65% | 0.645 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.7 | -44.9 | 174.1 | -74.6 | 177 | -161.5 | -109 | 1.4 | 111.6 | D981 E982 Q987 L988 S989 | D981-R985 WeakPolarHBondContact O-CG 3.46Å; D981-R985 PolarHBondContact O-N 3.35Å; E982-R985 PolarHBondContact O-N 2.9Å; R985-Q987 VanDerWaalsContact C-N 3.35Å; R985-Q987 PolarHBondContact O-N 3.49Å; R985-L988 PolarHBondContact O-N 2.89Å; R985-S989 WeakPolarHBondContact O-CB 3.41Å; R985-S989 PolarHBondContact O-N 2.94Å |
| 986 | Q | 88.1 | Confident | 88.4 | Confident | 112 Ų | 112 | 107 Ų | 107 | 52% | 0.523 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.8 | -43 | 176.5 | -72.7 | 172.9 | 11 | 0 | 0 | 111.7 | E982 R983 S989 S990 | E982-Q986 WeakPolarHBondContact O-CB 3.49Å; E982-Q986 VanDerWaalsContact O-CG 3.28Å; E982-Q986 WeakPolarHBondContact O-CG 3.28Å; E982-Q986 PolarHBondContact O-N 3.33Å; E982-Q986 PolarHBondContact OE1-NE2 3.18Å; R983-Q986 PolarHBondContact O-N 3.36Å; Q986-S989 PolarHBondContact O-N 3.24Å; Q986-S990 WeakPolarHBondContact O-CB 3.38Å; Q986-S990 PolarHBondContact O-N 3.49Å |
| 987 | Q | 89.2 | Confident | 88.3 | Confident | 123 Ų | 123 | 107.1 Ų | 107.1 | 58% | 0.575 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.4 | -46.5 | 175.1 | -172.2 | 178.5 | 10.3 | 0 | 0 | 111.2 | R983 F984 R985 S989 S990 T991 | R983-Q987 WeakPolarHBondContact O-CB 3.43Å; R983-Q987 PolarHBondContact O-N 3.39Å; F984-Q987 PolarHBondContact O-N 3.23Å; R985-Q987 VanDerWaalsContact C-N 3.35Å; R985-Q987 PolarHBondContact O-N 3.49Å; Q987-S989 PolarHBondContact O-N 2.86Å; Q987-S990 PolarHBondContact O-N 3.49Å; Q987-T991 PolarHBondContact O-N 3.35Å; Q987-T991 PolarHBondContact O-OG1 2.86Å |
| 988 | L | 87.6 | Confident | 88.3 | Confident | 105 Ų | 105 | 105.3 Ų | 105.3 | 55% | 0.55 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.2 | -47.7 | 178.9 | -170.5 | 70.5 | 0 | 0 | 0 | 111.1 | F984 R985 S990 T991 E992 | F984-L988 WeakPolarHBondContact O-CB 3.17Å; F984-L988 PolarHBondContact O-N 2.85Å; R985-L988 PolarHBondContact O-N 2.89Å; L988-S990 PolarHBondContact O-N 3.29Å; L988-T991 WeakPolarHBondContact O-CB 3.37Å; L988-T991 PolarHBondContact O-N 3.1Å; L988-T991 VanDerWaalsContact O-N 3.1Å; L988-E992 WeakPolarHBondContact O-CG 3.38Å; L988-E992 PolarHBondContact O-N 3.45Å |
| 989 | S | 87.6 | Confident | 88.2 | Confident | 54 Ų | 54 | 104.2 Ų | 104.2 | 38% | 0.378 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.4 | -46.5 | 176.2 | -168.6 | 0 | 0 | 0 | 0 | 111.7 | R985 Q986 Q987 T991 E992 E993 | R985-S989 WeakPolarHBondContact O-CB 3.41Å; R985-S989 PolarHBondContact O-N 2.94Å; Q986-S989 PolarHBondContact O-N 3.24Å; Q987-S989 PolarHBondContact O-N 2.86Å; S989-T991 VanDerWaalsContact C-N 3.27Å; S989-T991 PolarHBondContact O-N 2.89Å; S989-E992 PolarHBondContact O-N 3.31Å; S989-E993 WeakPolarHBondContact O-CB 3.49Å; S989-E993 WeakPolarHBondContact O-CG 3.45Å; S989-E993 PolarHBondContact O-N 2.61Å |
| 990 | S | 88.7 | Confident | 88.1 | Confident | 65 Ų | 65 | 104.6 Ų | 104.6 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.4 | -37.3 | 175.9 | -178.6 | 0 | 0 | 0 | 0 | 112.1 | Q986 Q987 L988 M994 | Q986-S990 WeakPolarHBondContact O-CB 3.38Å; Q986-S990 PolarHBondContact O-N 3.49Å; Q987-S990 PolarHBondContact O-N 3.49Å; L988-S990 PolarHBondContact O-N 3.29Å; S990-M994 WeakPolarHBondContact O-CB 3.33Å; S990-M994 WeakPolarHBondContact O-CG 3.42Å; S990-M994 PolarHBondContact O-N 2.93Å |
| 991 | T | 86.7 | Confident | 88.3 | Confident | 65 Ų | 65 | 105.8 Ų | 105.8 | 40% | 0.399 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.9 | -39.3 | 177.8 | -38 | 0 | 0 | 0 | 0 | 111.5 | Q987 L988 S989 K995 | Q987-T991 PolarHBondContact O-N 3.35Å; Q987-T991 PolarHBondContact O-OG1 2.86Å; L988-T991 WeakPolarHBondContact O-CB 3.37Å; L988-T991 PolarHBondContact O-N 3.1Å; L988-T991 VanDerWaalsContact O-N 3.1Å; S989-T991 VanDerWaalsContact C-N 3.27Å; S989-T991 PolarHBondContact O-N 2.89Å; T991-K995 WeakPolarHBondContact O-CB 3.48Å; T991-K995 WeakPolarHBondContact O-CG 3.49Å; T991-K995 PolarHBondContact O-N 2.99Å |
| 992 | E | 87 | Confident | 88.2 | Confident | 108 Ų | 108 | 105.4 Ų | 105.4 | 51% | 0.505 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.5 | -43.3 | 174.7 | -75.7 | -177.9 | 166 | 0 | 0 | 112 | L988 S989 M994 K995 N996 | L988-E992 WeakPolarHBondContact O-CG 3.38Å; L988-E992 PolarHBondContact O-N 3.45Å; S989-E992 PolarHBondContact O-N 3.31Å; E992-M994 PolarHBondContact O-N 3.48Å; E992-K995 PolarHBondContact O-N 2.84Å; E992-N996 WeakPolarHBondContact O-CB 3.42Å; E992-N996 PolarHBondContact O-N 3.24Å; E992-N996 PolarHBondContact O-ND2 3.43Å |
| 993 | E | 88 | Confident | 88.1 | Confident | 118 Ų | 118 | 107.8 Ų | 107.8 | 55% | 0.551 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.2 | -47 | 173.1 | -76.2 | 174.5 | -173.5 | 0 | 0 | 111.3 | S989 K995 N996 L997 | S989-E993 WeakPolarHBondContact O-CB 3.49Å; S989-E993 WeakPolarHBondContact O-CG 3.45Å; S989-E993 PolarHBondContact O-N 2.61Å; E993-K995 PolarHBondContact O-N 3.1Å; E993-N996 PolarHBondContact O-N 3.27Å; E993-L997 WeakPolarHBondContact O-CG 3.36Å; E993-L997 PolarHBondContact O-N 3.37Å |
| 994 | M | 87 | Confident | 87.9 | Confident | 115 Ų | 115 | 105.3 Ų | 105.3 | 57% | 0.567 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.4 | -42.8 | 175.5 | -78.5 | -64.2 | -64.9 | 0 | 0 | 112.3 | S990 E992 L997 T998 | S990-M994 WeakPolarHBondContact O-CB 3.33Å; S990-M994 WeakPolarHBondContact O-CG 3.42Å; S990-M994 PolarHBondContact O-N 2.93Å; E992-M994 PolarHBondContact O-N 3.48Å; M994-L997 PolarHBondContact O-N 2.94Å; M994-T998 PolarHBondContact O-N 2.83Å; M994-T998 PolarHBondContact O-OG1 2.93Å |
| 995 | K | 84.9 | Confident | 87.9 | Confident | 138 Ų | 138 | 103.5 Ų | 103.5 | 60% | 0.6 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.3 | -46.5 | 174.6 | -81.2 | 178.8 | 178.3 | 176.2 | 0 | 111.4 | T991 E992 E993 L997 T998 V999 | T991-K995 WeakPolarHBondContact O-CB 3.48Å; T991-K995 WeakPolarHBondContact O-CG 3.49Å; T991-K995 PolarHBondContact O-N 2.99Å; E992-K995 PolarHBondContact O-N 2.84Å; E993-K995 PolarHBondContact O-N 3.1Å; K995-L997 PolarHBondContact O-N 3.45Å; K995-T998 WeakPolarHBondContact O-CB 3.47Å; K995-T998 PolarHBondContact O-N 3.47Å; K995-T998 VanDerWaalsContact O-N 3.1Å; K995-V999 WeakPolarHBondContact O-CG2 3.5Å; K995-V999 PolarHBondContact O-N 2.93Å |
| 996 | N | 88.7 | Confident | 87.8 | Confident | 100 Ų | 100 | 98 Ų | 98 | 54% | 0.535 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.7 | -42.2 | 179.6 | -75.8 | -22.7 | 0 | 0 | 0 | 112 | E992 E993 T998 V999 N1000 | E992-N996 WeakPolarHBondContact O-CB 3.42Å; E992-N996 PolarHBondContact O-N 3.24Å; E992-N996 PolarHBondContact O-ND2 3.43Å; E993-N996 PolarHBondContact O-N 3.27Å; N996-T998 VanDerWaalsContact C-N 3.31Å; N996-T998 PolarHBondContact O-N 2.95Å; N996-V999 PolarHBondContact O-N 3.44Å; N996-N1000 WeakPolarHBondContact O-CB 3.39Å; N996-N1000 VanDerWaalsContact O-CG 3.31Å; N996-N1000 PolarHBondContact O-N 3.47Å; N996-N1000 PolarHBondContact O-ND2 3Å |
| 997 | L | 89.5 | Confident | 87.7 | Confident | 114 Ų | 114 | 96.6 Ų | 96.6 | 60% | 0.597 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.3 | -42 | 172.7 | -73.2 | 171.6 | 0 | 0 | 0 | 111.8 | E993 M994 K995 N1000 R1001 | E993-L997 WeakPolarHBondContact O-CG 3.36Å; E993-L997 PolarHBondContact O-N 3.37Å; M994-L997 PolarHBondContact O-N 2.94Å; K995-L997 PolarHBondContact O-N 3.45Å; L997-N1000 PolarHBondContact O-N 2.66Å; L997-R1001 WeakPolarHBondContact O-CB 3.4Å; L997-R1001 PolarHBondContact O-N 3.42Å |
| 998 | T | 87.2 | Confident | 87.7 | Confident | 61 Ų | 61 | 97.1 Ų | 97.1 | 37% | 0.374 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.7 | -43.1 | 179.5 | -44.7 | 0 | 0 | 0 | 0 | 111.7 | M994 K995 N996 R1001 V1002 | M994-T998 PolarHBondContact O-N 2.83Å; M994-T998 PolarHBondContact O-OG1 2.93Å; K995-T998 WeakPolarHBondContact O-CB 3.47Å; K995-T998 PolarHBondContact O-N 3.47Å; K995-T998 VanDerWaalsContact O-N 3.1Å; N996-T998 VanDerWaalsContact C-N 3.31Å; N996-T998 PolarHBondContact O-N 2.95Å; T998-R1001 WeakPolarHBondContact O-CB 3.39Å; T998-R1001 PolarHBondContact O-N 3.29Å; T998-V1002 WeakPolarHBondContact O-CG2 3.5Å; T998-V1002 PolarHBondContact O-N 3.45Å |
| 999 | V | 88.3 | Confident | 87.6 | Confident | 89 Ų | 89 | 97.6 Ų | 97.6 | 54% | 0.539 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.1 | -45.4 | 175.3 | 169.2 | 0 | 0 | 0 | 0 | 110.4 | K995 N996 R1001 V1002 K1003 | K995-V999 WeakPolarHBondContact O-CG2 3.5Å; K995-V999 PolarHBondContact O-N 2.93Å; N996-V999 PolarHBondContact O-N 3.44Å; V999-R1001 VanDerWaalsContact C-N 3.34Å; V999-R1001 PolarHBondContact O-N 3.35Å; V999-V1002 PolarHBondContact O-N 3.46Å; V999-K1003 VanDerWaalsContact O-CB 3.28Å; V999-K1003 WeakPolarHBondContact O-CB 3.36Å; V999-K1003 PolarHBondContact O-N 2.97Å |
| 1000 | N | 88.2 | Confident | 87.6 | Confident | 90 Ų | 90 | 101 Ų | 101 | 48% | 0.481 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.9 | -40 | 176.8 | -75.1 | -22.7 | 0 | 0 | 0 | 112.2 | N996 L997 K1003 N1004 | N996-N1000 WeakPolarHBondContact O-CB 3.39Å; N996-N1000 VanDerWaalsContact O-CG 3.31Å; N996-N1000 PolarHBondContact O-N 3.47Å; N996-N1000 PolarHBondContact O-ND2 3Å; L997-N1000 PolarHBondContact O-N 2.66Å; N1000-K1003 PolarHBondContact O-N 3.42Å; N1000-N1004 WeakPolarHBondContact O-CB 3.46Å; N1000-N1004 PolarHBondContact O-N 2.86Å |
| 1001 | R | 90.1 | Very high | 87.5 | Confident | 122 Ų | 122 | 101.8 Ų | 101.8 | 46% | 0.46 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.4 | -51.1 | 174.1 | -176.2 | -174.8 | 60.9 | 71.7 | 4.8 | 111.6 | L997 T998 V999 K1003 N1004 E1005 | L997-R1001 WeakPolarHBondContact O-CB 3.4Å; L997-R1001 PolarHBondContact O-N 3.42Å; T998-R1001 WeakPolarHBondContact O-CB 3.39Å; T998-R1001 PolarHBondContact O-N 3.29Å; V999-R1001 VanDerWaalsContact C-N 3.34Å; V999-R1001 PolarHBondContact O-N 3.35Å; R1001-K1003 VanDerWaalsContact C-N 3.29Å; R1001-K1003 PolarHBondContact O-N 2.87Å; R1001-N1004 PolarHBondContact O-N 3.46Å; R1001-E1005 IonicContact CZ-OE1 3.64Å; R1001-E1005 IonicContact NH1-OE1 3.92Å; R1001-E1005 PolarHBondContact NH1-OE1 2.88Å; R1001-E1005 IonicContact NH1-OE2 3.78Å; R1001-E1005 PolarHBondContact NH1-OE2 3.42Å; R1001-E1005 WeakPolarHBondContact O-CG 3.28Å; R1001-E1005 PolarHBondContact O-N 3.21Å |
| 1002 | V | 86 | Confident | 87.4 | Confident | 74 Ų | 74 | 101.4 Ų | 101.4 | 45% | 0.448 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.6 | -38.7 | 179.3 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | T998 V999 E1005 A1006 | T998-V1002 WeakPolarHBondContact O-CG2 3.5Å; T998-V1002 PolarHBondContact O-N 3.45Å; V999-V1002 PolarHBondContact O-N 3.46Å; V1002-E1005 PolarHBondContact O-N 2.69Å; V1002-A1006 WeakPolarHBondContact O-CB 3.49Å; V1002-A1006 PolarHBondContact O-N 2.66Å |
| 1003 | K | 88.6 | Confident | 87.2 | Confident | 147 Ų | 147 | 100 Ų | 100 | 64% | 0.639 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.5 | -42.8 | 176.1 | -165.8 | 178.7 | -178.1 | -177.8 | 0 | 111.6 | V999 N1000 R1001 A1006 E1007 | V999-K1003 VanDerWaalsContact O-CB 3.28Å; V999-K1003 WeakPolarHBondContact O-CB 3.36Å; V999-K1003 PolarHBondContact O-N 2.97Å; N1000-K1003 PolarHBondContact O-N 3.42Å; R1001-K1003 VanDerWaalsContact C-N 3.29Å; R1001-K1003 PolarHBondContact O-N 2.87Å; K1003-A1006 PolarHBondContact O-N 2.93Å; K1003-E1007 WeakPolarHBondContact O-CB 3.49Å; K1003-E1007 PolarHBondContact O-N 3.38Å |
| 1004 | N | 88.1 | Confident | 86.9 | Confident | 112 Ų | 112 | 99.5 Ų | 99.5 | 60% | 0.599 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.1 | -41.2 | 175.2 | -74.2 | -13.7 | 0 | 0 | 0 | 112.2 | N1000 R1001 E1007 Q1008 | N1000-N1004 WeakPolarHBondContact O-CB 3.46Å; N1000-N1004 PolarHBondContact O-N 2.86Å; R1001-N1004 PolarHBondContact O-N 3.46Å; N1004-E1007 PolarHBondContact O-N 3.33Å; N1004-Q1008 VanDerWaalsContact O-CG 3.26Å; N1004-Q1008 WeakPolarHBondContact O-CG 3.48Å; N1004-Q1008 PolarHBondContact O-N 2.92Å |
| 1005 | E | 88.3 | Confident | 86.8 | Confident | 91 Ų | 91 | 96.9 Ų | 96.9 | 43% | 0.425 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.2 | -42.1 | 175.4 | -75.7 | 169.2 | -173.9 | 0 | 0 | 112 | R1001 V1002 Q1008 L1009 | R1001-E1005 IonicContact CZ-OE1 3.64Å; R1001-E1005 IonicContact NH1-OE1 3.92Å; R1001-E1005 PolarHBondContact NH1-OE1 2.88Å; R1001-E1005 IonicContact NH1-OE2 3.78Å; R1001-E1005 PolarHBondContact NH1-OE2 3.42Å; R1001-E1005 WeakPolarHBondContact O-CG 3.28Å; R1001-E1005 PolarHBondContact O-N 3.21Å; V1002-E1005 PolarHBondContact O-N 2.69Å; E1005-Q1008 PolarHBondContact O-N 3.41Å; E1005-L1009 WeakPolarHBondContact O-CB 3.49Å; E1005-L1009 PolarHBondContact O-N 3.02Å |
| 1006 | A | 84.9 | Confident | 86.7 | Confident | 56 Ų | 56 | 98.7 Ų | 98.7 | 46% | 0.463 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.8 | -40.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V1002 K1003 L1009 R1010 | V1002-A1006 WeakPolarHBondContact O-CB 3.49Å; V1002-A1006 PolarHBondContact O-N 2.66Å; K1003-A1006 PolarHBondContact O-N 2.93Å; A1006-L1009 PolarHBondContact O-N 3.37Å; A1006-R1010 PolarHBondContact O-N 3.39Å |
| 1007 | E | 87.5 | Confident | 86.4 | Confident | 81 Ų | 81 | 97.9 Ų | 97.9 | 38% | 0.379 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.2 | -42.6 | 176.2 | -172.7 | 65.9 | -174.4 | 0 | 0 | 111.6 | K1003 N1004 L1009 R1010 I1011 | K1003-E1007 WeakPolarHBondContact O-CB 3.49Å; K1003-E1007 PolarHBondContact O-N 3.38Å; N1004-E1007 PolarHBondContact O-N 3.33Å; E1007-L1009 PolarHBondContact O-N 3.02Å; E1007-R1010 WeakPolarHBondContact O-CB 3.35Å; E1007-R1010 PolarHBondContact O-N 3.25Å; E1007-R1010 IonicContact OE1-CZ 3.25Å; E1007-R1010 VanDerWaalsContact OE1-CZ 3.22Å; E1007-R1010 IonicContact OE1-NH1 2.78Å; E1007-R1010 IonicContact OE1-NH2 3.52Å; E1007-R1010 PolarHBondContact OE1-NH2 2.97Å; E1007-R1010 IonicContact OE2-CZ 2.69Å; E1007-R1010 IonicContact OE2-NE 3.26Å; E1007-R1010 IonicContact OE2-NH1 3.98Å; E1007-R1010 PolarHBondContact OE2-NH1 3.49Å; E1007-R1010 IonicContact OE2-NH2 2.92Å; E1007-I1011 HydrophobicContact CG-CD1 4.34Å; E1007-I1011 WeakPolarHBondContact O-CG1 3.26Å; E1007-I1011 PolarHBondContact O-N 3.38Å |
| 1008 | Q | 88 | Confident | 86 | Confident | 134 Ų | 134 | 96.1 Ų | 96.1 | 63% | 0.626 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.2 | -43.2 | 174.5 | -72.8 | -73.9 | -17 | 0 | 0 | 111.8 | N1004 E1005 I1011 A1012 | N1004-Q1008 VanDerWaalsContact O-CG 3.26Å; N1004-Q1008 WeakPolarHBondContact O-CG 3.48Å; N1004-Q1008 PolarHBondContact O-N 2.92Å; E1005-Q1008 PolarHBondContact O-N 3.41Å; Q1008-I1011 PolarHBondContact O-N 2.91Å; Q1008-A1012 WeakPolarHBondContact O-CB 3.45Å; Q1008-A1012 PolarHBondContact O-N 3.42Å |
| 1009 | L | 85.5 | Confident | 85.7 | Confident | 116 Ų | 116 | 98.6 Ų | 98.6 | 61% | 0.607 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.5 | -40.3 | 174.9 | -86.5 | 164.7 | 0 | 0 | 0 | 112.1 | E1005 A1006 E1007 A1012 C1013 | E1005-L1009 WeakPolarHBondContact O-CB 3.49Å; E1005-L1009 PolarHBondContact O-N 3.02Å; A1006-L1009 PolarHBondContact O-N 3.37Å; E1007-L1009 PolarHBondContact O-N 3.02Å; L1009-A1012 PolarHBondContact O-N 3.5Å; L1009-C1013 WeakPolarHBondContact O-CB 3.38Å; L1009-C1013 PolarHBondContact O-N 3.04Å; L1009-C1013 PolarHBondContact O-SG 3.47Å |
| 1010 | R | 87.4 | Confident | 85.2 | Confident | 125 Ų | 125 | 97.9 Ų | 97.9 | 47% | 0.472 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.7 | -48.2 | 176.1 | -166.5 | -166.1 | 76.4 | -165.6 | -7.8 | 110.9 | A1006 E1007 A1012 C1013 E1014 | A1006-R1010 PolarHBondContact O-N 3.39Å; E1007-R1010 WeakPolarHBondContact O-CB 3.35Å; E1007-R1010 PolarHBondContact O-N 3.25Å; E1007-R1010 IonicContact OE1-CZ 3.25Å; E1007-R1010 VanDerWaalsContact OE1-CZ 3.22Å; E1007-R1010 IonicContact OE1-NH1 2.78Å; E1007-R1010 IonicContact OE1-NH2 3.52Å; E1007-R1010 PolarHBondContact OE1-NH2 2.97Å; E1007-R1010 IonicContact OE2-CZ 2.69Å; E1007-R1010 IonicContact OE2-NE 3.26Å; E1007-R1010 IonicContact OE2-NH1 3.98Å; E1007-R1010 PolarHBondContact OE2-NH1 3.49Å; E1007-R1010 IonicContact OE2-NH2 2.92Å; R1010-A1012 VanDerWaalsContact C-N 3.33Å; R1010-A1012 PolarHBondContact O-N 3.24Å; R1010-C1013 PolarHBondContact O-N 3.29Å; R1010-E1014 IonicContact NE-OE1 3.63Å; R1010-E1014 WeakPolarHBondContact O-CG 3.47Å; R1010-E1014 PolarHBondContact O-N 2.91Å |
| 1011 | I | 86.8 | Confident | 84.7 | Confident | 82 Ų | 82 | 98.3 Ų | 98.3 | 42% | 0.421 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.3 | -43.5 | 177.2 | -66.5 | 166.1 | 0 | 0 | 0 | 110.8 | E1007 Q1008 C1013 E1014 A1015 | E1007-I1011 HydrophobicContact CG-CD1 4.34Å; E1007-I1011 WeakPolarHBondContact O-CG1 3.26Å; E1007-I1011 PolarHBondContact O-N 3.38Å; Q1008-I1011 PolarHBondContact O-N 2.91Å; I1011-C1013 PolarHBondContact O-N 2.95Å; I1011-E1014 PolarHBondContact O-N 3.39Å; I1011-A1015 WeakPolarHBondContact O-CB 3.42Å; I1011-A1015 PolarHBondContact O-N 2.95Å |
| 1012 | A | 85.7 | Confident | 84.1 | Confident | 56 Ų | 56 | 95.5 Ų | 95.5 | 46% | 0.463 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.9 | -38.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q1008 L1009 R1010 R1016 | Q1008-A1012 WeakPolarHBondContact O-CB 3.45Å; Q1008-A1012 PolarHBondContact O-N 3.42Å; L1009-A1012 PolarHBondContact O-N 3.5Å; R1010-A1012 VanDerWaalsContact C-N 3.33Å; R1010-A1012 PolarHBondContact O-N 3.24Å; A1012-R1016 PolarHBondContact O-N 2.85Å |
| 1013 | C | 81.7 | Confident | 83.8 | Confident | 79 Ų | 79 | 96.9 Ų | 96.9 | 53% | 0.534 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.6 | -45.3 | 174.5 | -78.3 | 0 | 0 | 0 | 0 | 111.8 | L1009 R1010 I1011 A1015 R1016 V1017 | L1009-C1013 WeakPolarHBondContact O-CB 3.38Å; L1009-C1013 PolarHBondContact O-N 3.04Å; L1009-C1013 PolarHBondContact O-SG 3.47Å; R1010-C1013 PolarHBondContact O-N 3.29Å; I1011-C1013 PolarHBondContact O-N 2.95Å; C1013-A1015 VanDerWaalsContact C-N 3.32Å; C1013-A1015 PolarHBondContact O-N 3.45Å; C1013-R1016 PolarHBondContact O-N 3Å; C1013-V1017 WeakPolarHBondContact O-CG2 3.47Å; C1013-V1017 PolarHBondContact O-N 3.39Å |
| 1014 | E | 83 | Confident | 83.3 | Confident | 108 Ų | 108 | 95.4 Ų | 95.4 | 51% | 0.505 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.9 | -42.4 | 175.7 | -76 | 171.3 | 177.4 | 0 | 0 | 111.5 | R1010 I1011 R1016 V1017 S1018 | R1010-E1014 IonicContact NE-OE1 3.63Å; R1010-E1014 WeakPolarHBondContact O-CG 3.47Å; R1010-E1014 PolarHBondContact O-N 2.91Å; I1011-E1014 PolarHBondContact O-N 3.39Å; E1014-R1016 PolarHBondContact O-N 2.91Å; E1014-V1017 PolarHBondContact O-N 3.2Å; E1014-S1018 PolarHBondContact O-N 3.45Å |
| 1015 | A | 84.6 | Confident | 82.9 | Confident | 60 Ų | 60 | 98.4 Ų | 98.4 | 50% | 0.496 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.5 | -44.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | I1011 C1013 S1018 E1019 | I1011-A1015 WeakPolarHBondContact O-CB 3.42Å; I1011-A1015 PolarHBondContact O-N 2.95Å; C1013-A1015 VanDerWaalsContact C-N 3.32Å; C1013-A1015 PolarHBondContact O-N 3.45Å; A1015-S1018 WeakPolarHBondContact O-CB 3.44Å; A1015-S1018 PolarHBondContact O-N 2.96Å; A1015-E1019 PolarHBondContact O-N 3.27Å |
| 1016 | R | 83.6 | Confident | 82.3 | Confident | 176 Ų | 176 | 97.6 Ų | 97.6 | 66% | 0.664 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68.7 | -36.7 | 179.3 | -164 | 125.7 | 74.8 | 106.2 | 0.5 | 112.9 | A1012 C1013 E1014 S1018 E1019 V1020 | A1012-R1016 PolarHBondContact O-N 2.85Å; C1013-R1016 PolarHBondContact O-N 3Å; E1014-R1016 PolarHBondContact O-N 2.91Å; R1016-S1018 VanDerWaalsContact C-N 3.33Å; R1016-E1019 PolarHBondContact O-N 2.95Å; R1016-V1020 WeakPolarHBondContact O-CG2 3.37Å; R1016-V1020 PolarHBondContact O-N 2.87Å |
| 1017 | V | 81.2 | Confident | 81.8 | Confident | 83 Ų | 83 | 100 Ų | 100 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.2 | -45.6 | 172.2 | 170.6 | 0 | 0 | 0 | 0 | 109.9 | C1013 E1014 E1019 V1020 E1021 | C1013-V1017 WeakPolarHBondContact O-CG2 3.47Å; C1013-V1017 PolarHBondContact O-N 3.39Å; E1014-V1017 PolarHBondContact O-N 3.2Å; V1017-E1019 VanDerWaalsContact C-N 3.28Å; V1017-E1019 PolarHBondContact O-N 3.3Å; V1017-V1020 PolarHBondContact O-N 3.35Å; V1017-E1021 HydrophobicContact CG1-CG 4.43Å; V1017-E1021 WeakPolarHBondContact O-CB 3.48Å; V1017-E1021 WeakPolarHBondContact O-CG 3.32Å; V1017-E1021 PolarHBondContact O-N 3.3Å |
| 1018 | S | 81 | Confident | 81.2 | Confident | 76 Ų | 76 | 101.6 Ų | 101.6 | 53% | 0.531 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.8 | -35.5 | 176.9 | -170.3 | 0 | 0 | 0 | 0 | 112.8 | E1014 A1015 R1016 S1022 | E1014-S1018 PolarHBondContact O-N 3.45Å; A1015-S1018 WeakPolarHBondContact O-CB 3.44Å; A1015-S1018 PolarHBondContact O-N 2.96Å; R1016-S1018 VanDerWaalsContact C-N 3.33Å; S1018-S1022 PolarHBondContact O-N 3.07Å; S1018-S1022 VanDerWaalsContact O-N 3.14Å |
| 1019 | E | 81.3 | Confident | 80.6 | Confident | 113 Ų | 113 | 100.6 Ų | 100.6 | 53% | 0.528 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.4 | -48.3 | 175.7 | -171.6 | 172.4 | -150.7 | 0 | 0 | 111.5 | A1015 R1016 V1017 E1021 S1022 E1023 | A1015-E1019 PolarHBondContact O-N 3.27Å; R1016-E1019 PolarHBondContact O-N 2.95Å; V1017-E1019 VanDerWaalsContact C-N 3.28Å; V1017-E1019 PolarHBondContact O-N 3.3Å; E1019-E1021 VanDerWaalsContact C-N 3.32Å; E1019-E1021 PolarHBondContact O-N 3.03Å; E1019-S1022 CarbonylContact O-C 3.59Å; E1019-S1022 WeakPolarHBondContact O-CA 3.36Å; E1019-S1022 WeakPolarHBondContact O-CB 3.22Å; E1019-S1022 PolarHBondContact O-N 3.41Å; E1019-E1023 PolarHBondContact O-N 2.85Å |
| 1020 | V | 78 | Confident | 80.1 | Confident | 74 Ų | 74 | 100.9 Ų | 100.9 | 45% | 0.448 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62 | -38.6 | 176.2 | 171.7 | 0 | 0 | 0 | 0 | 111.6 | R1016 V1017 S1022 E1023 M1024 | R1016-V1020 WeakPolarHBondContact O-CG2 3.37Å; R1016-V1020 PolarHBondContact O-N 2.87Å; V1017-V1020 PolarHBondContact O-N 3.35Å; V1020-S1022 VanDerWaalsContact C-N 3.28Å; V1020-S1022 PolarHBondContact O-N 3.31Å; V1020-E1023 PolarHBondContact O-N 3.43Å; V1020-M1024 WeakPolarHBondContact O-CB 3.41Å; V1020-M1024 PolarHBondContact O-N 2.89Å |
| 1021 | E | 77.2 | Confident | 79.5 | Confident | 100 Ų | 100 | 97.5 Ų | 97.5 | 47% | 0.467 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.9 | -35.5 | 173.4 | -76.4 | -176 | 175 | 0 | 0 | 112.1 | V1017 E1019 R1025 | V1017-E1021 HydrophobicContact CG1-CG 4.43Å; V1017-E1021 WeakPolarHBondContact O-CB 3.48Å; V1017-E1021 WeakPolarHBondContact O-CG 3.32Å; V1017-E1021 PolarHBondContact O-N 3.3Å; E1019-E1021 VanDerWaalsContact C-N 3.32Å; E1019-E1021 PolarHBondContact O-N 3.03Å; E1021-R1025 VanDerWaalsContact O-CG 3.29Å; E1021-R1025 WeakPolarHBondContact O-CG 3.29Å; E1021-R1025 PolarHBondContact O-N 3.46Å; E1021-R1025 VanDerWaalsContact O-N 3.07Å |
| 1022 | S | 78 | Confident | 78.9 | Confident | 63 Ų | 63 | 97.4 Ų | 97.4 | 44% | 0.441 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.8 | -46.1 | 173 | 137.3 | 0 | 0 | 0 | 0 | 111.7 | S1018 E1019 V1020 M1024 R1025 T1026 | S1018-S1022 PolarHBondContact O-N 3.07Å; S1018-S1022 VanDerWaalsContact O-N 3.14Å; E1019-S1022 CarbonylContact O-C 3.59Å; E1019-S1022 WeakPolarHBondContact O-CA 3.36Å; E1019-S1022 WeakPolarHBondContact O-CB 3.22Å; E1019-S1022 PolarHBondContact O-N 3.41Å; V1020-S1022 VanDerWaalsContact C-N 3.28Å; V1020-S1022 PolarHBondContact O-N 3.31Å; S1022-M1024 VanDerWaalsContact C-N 3.34Å; S1022-M1024 PolarHBondContact O-N 3.42Å; S1022-R1025 PolarHBondContact O-N 3.14Å; S1022-T1026 PolarHBondContact O-N 3.4Å; S1022-T1026 VanDerWaalsContact O-N 3.11Å; S1022-T1026 PolarHBondContact O-OG1 3.42Å |
| 1023 | E | 78.8 | Confident | 78.6 | Confident | 103 Ų | 103 | 99 Ų | 99 | 48% | 0.481 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.6 | -44.7 | 176.1 | -70.2 | -179 | 166.5 | 0 | 0 | 110.9 | E1019 V1020 R1025 T1026 I1027 | E1019-E1023 PolarHBondContact O-N 2.85Å; V1020-E1023 PolarHBondContact O-N 3.43Å; E1023-R1025 VanDerWaalsContact C-N 3.35Å; E1023-R1025 PolarHBondContact O-N 2.96Å; E1023-T1026 WeakPolarHBondContact O-CA 3.26Å; E1023-T1026 VanDerWaalsContact O-CB 3.31Å; E1023-T1026 WeakPolarHBondContact O-CB 3.41Å; E1023-T1026 PolarHBondContact O-N 3.46Å; E1023-I1027 WeakPolarHBondContact O-CG1 3.43Å; E1023-I1027 PolarHBondContact O-N 2.87Å |
| 1024 | M | 78.7 | Confident | 78.2 | Confident | 115 Ų | 115 | 98.7 Ų | 98.7 | 57% | 0.567 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.2 | -35.7 | 179.9 | -165 | 146.9 | 75.7 | 0 | 0 | 112.3 | V1020 S1022 T1026 I1027 L1028 | V1020-M1024 WeakPolarHBondContact O-CB 3.41Å; V1020-M1024 PolarHBondContact O-N 2.89Å; S1022-M1024 VanDerWaalsContact C-N 3.34Å; S1022-M1024 PolarHBondContact O-N 3.42Å; M1024-T1026 VanDerWaalsContact C-N 3.26Å; M1024-T1026 PolarHBondContact O-N 3.31Å; M1024-I1027 PolarHBondContact O-N 3.01Å; M1024-L1028 HydrophobicContact CG-CD1 4.45Å; M1024-L1028 WeakPolarHBondContact O-CB 3.43Å; M1024-L1028 VanDerWaalsContact O-CG 3.26Å; M1024-L1028 WeakPolarHBondContact O-CG 3.33Å; M1024-L1028 PolarHBondContact O-N 3.17Å |
| 1025 | R | 79.3 | Confident | 77.7 | Confident | 176 Ų | 176 | 98.8 Ų | 98.8 | 66% | 0.664 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.3 | -37.9 | 169.7 | -75.6 | 174.3 | -162.8 | -136.9 | 5.3 | 111.8 | E1021 S1022 E1023 L1029 | E1021-R1025 VanDerWaalsContact O-CG 3.29Å; E1021-R1025 WeakPolarHBondContact O-CG 3.29Å; E1021-R1025 PolarHBondContact O-N 3.46Å; E1021-R1025 VanDerWaalsContact O-N 3.07Å; S1022-R1025 PolarHBondContact O-N 3.14Å; E1023-R1025 VanDerWaalsContact C-N 3.35Å; E1023-R1025 PolarHBondContact O-N 2.96Å; R1025-L1029 PolarHBondContact O-N 3.34Å |
| 1026 | T | 76.7 | Confident | 77.1 | Confident | 74 Ų | 74 | 101.9 Ų | 101.9 | 45% | 0.454 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.9 | -46.6 | 179.3 | -46.5 | 0 | 0 | 0 | 0 | 111.1 | S1022 E1023 M1024 L1028 L1029 E1030 | S1022-T1026 PolarHBondContact O-N 3.4Å; S1022-T1026 VanDerWaalsContact O-N 3.11Å; S1022-T1026 PolarHBondContact O-OG1 3.42Å; E1023-T1026 WeakPolarHBondContact O-CA 3.26Å; E1023-T1026 VanDerWaalsContact O-CB 3.31Å; E1023-T1026 WeakPolarHBondContact O-CB 3.41Å; E1023-T1026 PolarHBondContact O-N 3.46Å; M1024-T1026 VanDerWaalsContact C-N 3.26Å; M1024-T1026 PolarHBondContact O-N 3.31Å; T1026-L1028 VanDerWaalsContact C-N 3.33Å; T1026-L1028 PolarHBondContact O-N 3.02Å; T1026-L1029 WeakPolarHBondContact O-CB 3.31Å; T1026-L1029 PolarHBondContact O-N 2.89Å; T1026-L1029 VanDerWaalsContact O-N 3.1Å; T1026-E1030 PolarHBondContact O-N 2.86Å |
| 1027 | I | 74.1 | Confident | 76.6 | Confident | 105 Ų | 105 | 95.7 Ų | 95.7 | 54% | 0.538 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.6 | -41 | 176.4 | -66.2 | 168.4 | 0 | 0 | 0 | 111.2 | E1023 M1024 L1029 E1030 A1031 | E1023-I1027 WeakPolarHBondContact O-CG1 3.43Å; E1023-I1027 PolarHBondContact O-N 2.87Å; M1024-I1027 PolarHBondContact O-N 3.01Å; I1027-L1029 VanDerWaalsContact C-N 3.29Å; I1027-L1029 PolarHBondContact O-N 3.11Å; I1027-E1030 PolarHBondContact O-N 3.29Å; I1027-A1031 WeakPolarHBondContact O-CB 3.32Å; I1027-A1031 PolarHBondContact O-N 2.92Å |
| 1028 | L | 74.1 | Confident | 76.1 | Confident | 116 Ų | 116 | 95 Ų | 95 | 61% | 0.607 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.3 | -36.9 | 176.1 | -75.3 | 168.9 | 0 | 0 | 0 | 112 | M1024 T1026 E1032 | M1024-L1028 HydrophobicContact CG-CD1 4.45Å; M1024-L1028 WeakPolarHBondContact O-CB 3.43Å; M1024-L1028 VanDerWaalsContact O-CG 3.26Å; M1024-L1028 WeakPolarHBondContact O-CG 3.33Å; M1024-L1028 PolarHBondContact O-N 3.17Å; T1026-L1028 VanDerWaalsContact C-N 3.33Å; T1026-L1028 PolarHBondContact O-N 3.02Å; L1028-E1032 WeakPolarHBondContact O-CB 3.36Å; L1028-E1032 PolarHBondContact O-N 2.84Å |
| 1029 | L | 77 | Confident | 75.5 | Confident | 113 Ų | 113 | 96.7 Ų | 96.7 | 59% | 0.592 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -67.4 | -41.4 | 175.1 | -123.2 | 141.5 | 0 | 0 | 0 | 111.8 | R1025 T1026 I1027 E1032 N1033 | R1025-L1029 PolarHBondContact O-N 3.34Å; T1026-L1029 WeakPolarHBondContact O-CB 3.31Å; T1026-L1029 PolarHBondContact O-N 2.89Å; T1026-L1029 VanDerWaalsContact O-N 3.1Å; I1027-L1029 VanDerWaalsContact C-N 3.29Å; I1027-L1029 PolarHBondContact O-N 3.11Å; L1029-E1032 PolarHBondContact O-N 3.49Å; L1029-N1033 WeakPolarHBondContact O-CB 3.38Å; L1029-N1033 VanDerWaalsContact O-CG 3.27Å; L1029-N1033 PolarHBondContact O-N 3.02Å; L1029-N1033 PolarHBondContact O-ND2 2.92Å |
| 1030 | E | 74.4 | Confident | 74.8 | Confident | 121 Ų | 121 | 95.7 Ų | 95.7 | 57% | 0.565 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -67.5 | -39.8 | 175.3 | -74 | -175.1 | 161.4 | 0 | 0 | 112.9 | T1026 I1027 N1033 S1034 | T1026-E1030 PolarHBondContact O-N 2.86Å; I1027-E1030 PolarHBondContact O-N 3.29Å; E1030-N1033 PolarHBondContact O-N 2.94Å; E1030-S1034 WeakPolarHBondContact O-CB 3.33Å; E1030-S1034 PolarHBondContact O-N 3.43Å; E1030-S1034 PolarHBondContact O-OG 3.1Å |
| 1031 | A | 74.6 | Confident | 74.2 | Confident | 55 Ų | 55 | 100.5 Ų | 100.5 | 46% | 0.455 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | I1027 S1034 R1035 | I1027-A1031 WeakPolarHBondContact O-CB 3.32Å; I1027-A1031 PolarHBondContact O-N 2.92Å; A1031-S1034 PolarHBondContact O-N 3.26Å; A1031-R1035 VanDerWaalsContact O-CB 3.32Å; A1031-R1035 WeakPolarHBondContact O-CB 3.49Å; A1031-R1035 PolarHBondContact O-N 3.08Å |
| 1032 | E | 75.1 | Confident | 73.5 | Confident | 79 Ų | 79 | 101.2 Ų | 101.2 | 37% | 0.369 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.9 | -38.7 | 176.1 | -175.9 | 61.4 | -165.5 | 0 | 0 | 111.9 | L1028 L1029 R1035 K1036 | L1028-E1032 WeakPolarHBondContact O-CB 3.36Å; L1028-E1032 PolarHBondContact O-N 2.84Å; L1029-E1032 PolarHBondContact O-N 3.49Å; E1032-R1035 VanDerWaalsContact CD-NH2 3.35Å; E1032-R1035 PolarHBondContact O-N 3.47Å; E1032-R1035 IonicContact OE1-CZ 2.67Å; E1032-R1035 IonicContact OE1-NE 3.22Å; E1032-R1035 IonicContact OE1-NH2 2.73Å; E1032-R1035 PolarHBondContact OE1-NH2 3.38Å; E1032-R1035 IonicContact OE2-CZ 3.36Å; E1032-R1035 IonicContact OE2-NE 2.78Å; E1032-R1035 PolarHBondContact OE2-NE 2.99Å; E1032-R1035 IonicContact OE2-NH2 2.68Å; E1032-R1035 PolarHBondContact OE2-NH2 3.35Å; E1032-K1036 PolarHBondContact O-N 2.88Å; E1032-K1036 VanDerWaalsContact O-N 3.08Å |
| 1033 | N | 78.5 | Confident | 72.8 | Confident | 90 Ų | 90 | 106.1 Ų | 106.1 | 48% | 0.481 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.2 | -41.7 | 174.3 | -74.1 | -24.8 | 0 | 0 | 0 | 112.4 | L1029 E1030 R1035 K1036 A1037 | L1029-N1033 WeakPolarHBondContact O-CB 3.38Å; L1029-N1033 VanDerWaalsContact O-CG 3.27Å; L1029-N1033 PolarHBondContact O-N 3.02Å; L1029-N1033 PolarHBondContact O-ND2 2.92Å; E1030-N1033 PolarHBondContact O-N 2.94Å; N1033-R1035 VanDerWaalsContact C-N 3.34Å; N1033-K1036 PolarHBondContact O-N 2.94Å; N1033-A1037 PolarHBondContact O-N 2.88Å |
| 1034 | S | 72.8 | Confident | 71.8 | Confident | 73 Ų | 73 | 104.9 Ų | 104.9 | 51% | 0.51 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -66.2 | -36.9 | 176.6 | -62 | 0 | 0 | 0 | 0 | 112 | E1030 A1031 A1037 T1038 | E1030-S1034 WeakPolarHBondContact O-CB 3.33Å; E1030-S1034 PolarHBondContact O-N 3.43Å; E1030-S1034 PolarHBondContact O-OG 3.1Å; A1031-S1034 PolarHBondContact O-N 3.26Å; S1034-A1037 PolarHBondContact O-N 3.47Å; S1034-T1038 WeakPolarHBondContact O-CG2 3.48Å; S1034-T1038 PolarHBondContact O-N 3.29Å; S1034-T1038 PolarHBondContact O-OG1 2.99Å |
| 1035 | R | 73.1 | Confident | 70.8 | Confident | 110 Ų | 110 | 104 Ų | 104 | 42% | 0.415 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 173.2 | -168.6 | -177.5 | 71.3 | 77.3 | -1.1 | 111.6 | A1031 E1032 N1033 T1038 Q1039 | A1031-R1035 VanDerWaalsContact O-CB 3.32Å; A1031-R1035 WeakPolarHBondContact O-CB 3.49Å; A1031-R1035 PolarHBondContact O-N 3.08Å; E1032-R1035 VanDerWaalsContact CD-NH2 3.35Å; E1032-R1035 PolarHBondContact O-N 3.47Å; E1032-R1035 IonicContact OE1-CZ 2.67Å; E1032-R1035 IonicContact OE1-NE 3.22Å; E1032-R1035 IonicContact OE1-NH2 2.73Å; E1032-R1035 PolarHBondContact OE1-NH2 3.38Å; E1032-R1035 IonicContact OE2-CZ 3.36Å; E1032-R1035 IonicContact OE2-NE 2.78Å; E1032-R1035 PolarHBondContact OE2-NE 2.99Å; E1032-R1035 IonicContact OE2-NH2 2.68Å; E1032-R1035 PolarHBondContact OE2-NH2 3.35Å; N1033-R1035 VanDerWaalsContact C-N 3.34Å; R1035-T1038 WeakPolarHBondContact CA-OG1 3.42Å; R1035-T1038 PolarHBondContact O-N 2.68Å; R1035-T1038 PolarHBondContact O-OG1 3.3Å; R1035-Q1039 WeakPolarHBondContact O-CG 3.45Å; R1035-Q1039 PolarHBondContact O-N 2.92Å |
| 1036 | K | 71.2 | Confident | 69.6 | Low | 124 Ų | 124 | 99.4 Ų | 99.4 | 54% | 0.539 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.9 | -43.3 | 173 | -80.5 | -179.7 | 178.1 | 173.8 | 0 | 112.3 | E1032 N1033 T1038 Q1039 E1040 | E1032-K1036 PolarHBondContact O-N 2.88Å; E1032-K1036 VanDerWaalsContact O-N 3.08Å; N1033-K1036 PolarHBondContact O-N 2.94Å; K1036-T1038 PolarHBondContact O-N 3.33Å; K1036-Q1039 PolarHBondContact O-N 2.88Å; K1036-E1040 PolarHBondContact O-N 3.32Å |
| 1037 | A | 73.8 | Confident | 68.5 | Low | 47 Ų | 47 | 99.4 Ų | 99.4 | 39% | 0.388 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.4 | -39.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | N1033 S1034 E1040 R1041 | N1033-A1037 PolarHBondContact O-N 2.88Å; S1034-A1037 PolarHBondContact O-N 3.47Å; A1037-E1040 PolarHBondContact O-N 3.4Å; A1037-R1041 WeakPolarHBondContact O-CG 3.36Å; A1037-R1041 PolarHBondContact O-N 3.48Å |
| 1038 | T | 69.9 | Low | 67.6 | Low | 69 Ų | 69 | 97.8 Ų | 97.8 | 42% | 0.423 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -71.2 | -37.2 | 176.6 | 46.3 | 0 | 0 | 0 | 0 | 112.4 | S1034 R1035 K1036 E1040 R1041 L1042 | S1034-T1038 WeakPolarHBondContact O-CG2 3.48Å; S1034-T1038 PolarHBondContact O-N 3.29Å; S1034-T1038 PolarHBondContact O-OG1 2.99Å; R1035-T1038 WeakPolarHBondContact CA-OG1 3.42Å; R1035-T1038 PolarHBondContact O-N 2.68Å; R1035-T1038 PolarHBondContact O-OG1 3.3Å; K1036-T1038 PolarHBondContact O-N 3.33Å; T1038-E1040 VanDerWaalsContact C-N 3.32Å; T1038-E1040 PolarHBondContact O-N 2.92Å; T1038-R1041 PolarHBondContact O-N 3.41Å; T1038-L1042 PolarHBondContact O-N 3.22Å |
| 1039 | Q | 70 | Confident | 66.3 | Low | 110 Ų | 110 | 99.1 Ų | 99.1 | 51% | 0.514 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.9 | -40.5 | 170.4 | -80.8 | -176.1 | -40 | 0 | 0 | 112 | R1035 K1036 L1042 R1043 | R1035-Q1039 WeakPolarHBondContact O-CG 3.45Å; R1035-Q1039 PolarHBondContact O-N 2.92Å; K1036-Q1039 PolarHBondContact O-N 2.88Å; Q1039-L1042 PolarHBondContact O-N 2.95Å; Q1039-R1043 WeakPolarHBondContact O-CB 3.47Å; Q1039-R1043 PolarHBondContact O-N 3.16Å |
| 1040 | E | 65.4 | Low | 64.8 | Low | 92 Ų | 92 | 99.1 Ų | 99.1 | 43% | 0.43 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.4 | -38.7 | 177.2 | -162.7 | 60.5 | -155.9 | 0 | 0 | 111.9 | K1036 A1037 T1038 R1043 C1044 | K1036-E1040 PolarHBondContact O-N 3.32Å; A1037-E1040 PolarHBondContact O-N 3.4Å; T1038-E1040 VanDerWaalsContact C-N 3.32Å; T1038-E1040 PolarHBondContact O-N 2.92Å; E1040-R1043 WeakPolarHBondContact O-CB 3.33Å; E1040-R1043 PolarHBondContact O-N 3.37Å; E1040-R1043 IonicContact OE1-CZ 3.26Å; E1040-R1043 VanDerWaalsContact OE1-CZ 3.26Å; E1040-R1043 IonicContact OE1-NE 3.83Å; E1040-R1043 PolarHBondContact OE1-NE 2.91Å; E1040-R1043 IonicContact OE1-NH2 2.73Å; E1040-R1043 PolarHBondContact OE1-NH2 3.34Å; E1040-R1043 IonicContact OE2-NE 2.94Å; E1040-R1043 PolarHBondContact OE2-NE 3.01Å; E1040-C1044 PolarHBondContact O-N 3Å; E1040-C1044 PolarHBondContact O-SG 3.45Å |
| 1041 | R | 66.2 | Low | 63.1 | Low | 175 Ų | 175 | 96.7 Ų | 96.7 | 66% | 0.66 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.5 | -42.4 | 173.2 | -75.7 | -179.6 | -175.4 | 161.8 | 2.2 | 112.5 | A1037 T1038 R1043 C1044 I1045 | A1037-R1041 WeakPolarHBondContact O-CG 3.36Å; A1037-R1041 PolarHBondContact O-N 3.48Å; T1038-R1041 PolarHBondContact O-N 3.41Å; R1041-R1043 VanDerWaalsContact C-N 3.27Å; R1041-R1043 PolarHBondContact O-N 3.02Å; R1041-C1044 PolarHBondContact O-N 3.47Å; R1041-I1045 VanDerWaalsContact O-CG1 3.32Å; R1041-I1045 WeakPolarHBondContact O-CG1 3.47Å; R1041-I1045 PolarHBondContact O-N 3.14Å |
| 1042 | L | 61.1 | Low | 61.4 | Low | 115 Ų | 115 | 100.2 Ų | 100.2 | 60% | 0.602 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63 | -36.6 | 174.3 | -80.7 | 166 | 0 | 0 | 0 | 111.4 | T1038 Q1039 I1045 S1046 | T1038-L1042 PolarHBondContact O-N 3.22Å; Q1039-L1042 PolarHBondContact O-N 2.95Å; L1042-I1045 PolarHBondContact O-N 3.36Å; L1042-S1046 WeakPolarHBondContact O-CB 3.46Å; L1042-S1046 PolarHBondContact O-N 3.05Å |
| 1043 | R | 63.6 | Low | 59.5 | Low | 167 Ų | 167 | 104.5 Ų | 104.5 | 63% | 0.63 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -62.1 | -42.4 | 173.3 | -158.6 | 176.3 | 79.2 | 102.3 | 0.7 | 111.6 | Q1039 E1040 R1041 A1047 | Q1039-R1043 WeakPolarHBondContact O-CB 3.47Å; Q1039-R1043 PolarHBondContact O-N 3.16Å; E1040-R1043 WeakPolarHBondContact O-CB 3.33Å; E1040-R1043 PolarHBondContact O-N 3.37Å; E1040-R1043 IonicContact OE1-CZ 3.26Å; E1040-R1043 VanDerWaalsContact OE1-CZ 3.26Å; E1040-R1043 IonicContact OE1-NE 3.83Å; E1040-R1043 PolarHBondContact OE1-NE 2.91Å; E1040-R1043 IonicContact OE1-NH2 2.73Å; E1040-R1043 PolarHBondContact OE1-NH2 3.34Å; E1040-R1043 IonicContact OE2-NE 2.94Å; E1040-R1043 PolarHBondContact OE2-NE 3.01Å; R1041-R1043 VanDerWaalsContact C-N 3.27Å; R1041-R1043 PolarHBondContact O-N 3.02Å; R1043-A1047 PolarHBondContact O-N 2.73Å; R1043-A1047 VanDerWaalsContact O-N 3.14Å |
| 1044 | C | 58.9 | Low | 57.3 | Low | 77 Ų | 77 | 105.5 Ų | 105.5 | 52% | 0.52 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.9 | -40.8 | 174 | -68.2 | 0 | 0 | 0 | 0 | 113 | E1040 R1041 A1047 A1048 | E1040-C1044 PolarHBondContact O-N 3Å; E1040-C1044 PolarHBondContact O-SG 3.45Å; R1041-C1044 PolarHBondContact O-N 3.47Å; C1044-A1047 WeakPolarHBondContact O-CB 3.32Å; C1044-A1047 PolarHBondContact O-N 3.2Å; C1044-A1048 PolarHBondContact O-N 3.21Å |
| 1045 | I | 56.7 | Low | 55.5 | Low | 95 Ų | 95 | 107.1 Ų | 107.1 | 49% | 0.487 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -66.9 | -39.3 | 178.2 | -67.8 | 165.2 | 0 | 0 | 0 | 110.8 | R1041 L1042 A1047 A1048 L1049 | R1041-I1045 VanDerWaalsContact O-CG1 3.32Å; R1041-I1045 WeakPolarHBondContact O-CG1 3.47Å; R1041-I1045 PolarHBondContact O-N 3.14Å; L1042-I1045 PolarHBondContact O-N 3.36Å; I1045-A1047 PolarHBondContact O-N 2.97Å; I1045-A1048 PolarHBondContact O-N 3.45Å; I1045-A1048 VanDerWaalsContact O-N 3.16Å; I1045-L1049 HydrophobicContact CG2-CD1 3.93Å; I1045-L1049 PolarHBondContact O-N 2.94Å |
| 1046 | S | 53.8 | Low | 53.6 | Low | 81 Ų | 81 | 110.4 Ų | 110.4 | 57% | 0.566 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -65 | -28.9 | 174.2 | -164.8 | 0 | 0 | 0 | 0 | 112.4 | L1042 | L1042-S1046 WeakPolarHBondContact O-CB 3.46Å; L1042-S1046 PolarHBondContact O-N 3.05Å |
| 1047 | A | 53.9 | Low | 51.9 | Low | 73 Ų | 73 | 112.4 Ų | 112.4 | 60% | 0.603 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -75 | -34.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R1043 C1044 I1045 | R1043-A1047 PolarHBondContact O-N 2.73Å; R1043-A1047 VanDerWaalsContact O-N 3.14Å; C1044-A1047 WeakPolarHBondContact O-CB 3.32Å; C1044-A1047 PolarHBondContact O-N 3.2Å; I1045-A1047 PolarHBondContact O-N 2.97Å |
| 1048 | A | 54.6 | Low | 49.9 | Very low | 71 Ų | 71 | 119.1 Ų | 119.1 | 59% | 0.587 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -73.4 | -30 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | C1044 I1045 C1050 | C1044-A1048 PolarHBondContact O-N 3.21Å; I1045-A1048 PolarHBondContact O-N 3.45Å; I1045-A1048 VanDerWaalsContact O-N 3.16Å; A1048-C1050 PolarHBondContact O-N 3.33Å |
| 1049 | L | 47.8 | Very low | 48.2 | Very low | 144 Ų | 144 | 122.2 Ų | 122.2 | 75% | 0.754 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.3 | -8.6 | 179.2 | -81.5 | 160 | 0 | 0 | 0 | 114.4 | I1045 | I1045-L1049 HydrophobicContact CG2-CD1 3.93Å; I1045-L1049 PolarHBondContact O-N 2.94Å |
| 1050 | C | 46.3 | Very low | 46.4 | Very low | 114 Ų | 114 | 125.2 Ų | 125.2 | 77% | 0.77 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | 11.8 | 177.3 | -75.8 | 0 | 0 | 0 | 0 | 114.6 | A1048 | A1048-C1050 PolarHBondContact O-N 3.33Š|
| 1051 | A | 38.2 | Very low | 44.8 | Very low | 70 Ų | 70 | 126.3 Ų | 126.3 | 58% | 0.579 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -112.9 | 126 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 1052 | P | 38.3 | Very low | 43.2 | Very low | 129 Ų | 129 | 124.9 Ų | 124.9 | 84% | 0.838 | 71% | 0.706 | S | S | * | * | trans | -74.3 | 139.1 | 179.6 | 27.2 | -29.5 | 0 | 0 | 0 | 112.9 | ||||
| 1053 | I | 36 | Very low | 41.7 | Very low | 168 Ų | 168 | 126.5 Ų | 126.5 | 86% | 0.862 | 72% | 0.715 | S | S | * | * | trans | -71.8 | 118.9 | -169.8 | -62.2 | 159 | 0 | 0 | 0 | 111.2 | ||||
| 1054 | S | 32.3 | Very low | 40.4 | Very low | 112 Ų | 112 | 129.1 Ų | 129.1 | 78% | 0.783 | 75% | 0.75 | S | S | * | * | trans | -111.9 | 124.6 | 163.1 | -178.6 | 0 | 0 | 0 | 0 | 109.5 | H1056 | S1054-H1056 PolarHBondContact O-N 3.49Š| ||
| 1055 | P | 34.5 | Very low | 39.4 | Very low | 107 Ų | 107 | 131.8 Ų | 131.8 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | trans | -94.9 | 97.3 | -171.7 | 34.1 | -30 | 0 | 0 | 0 | 111.9 | ||||
| 1056 | H | 33.5 | Very low | 38.5 | Very low | 178 Ų | 178 | 133.7 Ų | 133.7 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | trans | -167.3 | 98.8 | 152.9 | -108.4 | 37.6 | 0 | 0 | 0 | 108.8 | S1054 | S1054-H1056 PolarHBondContact O-N 3.49Š| ||
| 1057 | N | 35.8 | Very low | 37.7 | Very low | 167 Ų | 167 | 136.6 Ų | 136.6 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | trans | -175.4 | 115.1 | 132.3 | -93 | -21.5 | 0 | 0 | 0 | 111.5 | ||||
| 1058 | K | 31.2 | Very low | 36.7 | Very low | 188 Ų | 188 | 140.4 Ų | 140.4 | 82% | 0.817 | 80% | 0.799 | S | S | * | * | trans | -67.7 | 157.6 | 162.1 | -108.5 | 175.2 | 179.4 | 177.1 | 0 | 109.3 | ||||
| 1059 | I | 35.1 | Very low | 35.6 | Very low | 134 Ų | 134 | 144.7 Ų | 144.7 | 69% | 0.687 | 81% | 0.812 | S | S | * | * | trans | 95.9 | 110.5 | 146.3 | -65.6 | 151.6 | 0 | 0 | 0 | 118.3 | ||||
| 1060 | Q | 30.3 | Very low | 34.8 | Very low | 172 Ų | 172 | 144.7 Ų | 144.7 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | 47.6 | 124.2 | 133.7 | -61.1 | 171.1 | -35 | 0 | 0 | 120.1 | ||||
| 1061 | C | 33.1 | Very low | 34 | Very low | 116 Ų | 116 | 146.9 Ų | 146.9 | 78% | 0.784 | 82% | 0.819 | S | S | * | * | -178.3 | 114.4 | 121.9 | -87.8 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 1062 | I | 32.5 | Very low | 33.6 | Very low | 145 Ų | 145 | 152.8 Ų | 152.8 | 74% | 0.744 | 84% | 0.838 | S | S | * | * | 86.2 | 114.9 | 80.6 | -70.5 | 166.5 | 0 | 0 | 0 | 113 | |||||
| 1063 | N | 28.6 | Very low | 33.2 | Very low | 149 Ų | 149 | 154.8 Ų | 154.8 | 80% | 0.797 | 84% | 0.838 | S | S | * | * | trans | 20.7 | 112.1 | 146.9 | -63.7 | -16.4 | 0 | 0 | 0 | 119.9 | ||||
| 1064 | T | 36.1 | Very low | 33 | Very low | 222 Ų | 222 | 153.6 Ų | 153.6 | 100% | 1.362 | 84% | 0.835 | S | S | * | * | -161.2 | 0 | 111.1 | 30.3 | 0 | 0 | 0 | 0 | 109.9 |
Retrieved 1,064 of 1,064 residues in 1172.9 ms
(Link to these results)