| 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 | 41.9 | Very low | 40.4 | Very low | 228 Ų | 228 | 164.4 Ų | 164.4 | 100% | 1.123 | 80% | 0.799 | S | S | * | * | 0 | -27.1 | 0 | -65.6 | -98.9 | -148.1 | 0 | 0 | 115.2 | S3 | M1-S3 PolarHBondContact O-N 3.19Š| |||
| 2 | K | 39.6 | Very low | 40.4 | Very low | 210 Ų | 210 | 157 Ų | 157 | 91% | 0.913 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -17.3 | -173 | -71 | -173.9 | 176.6 | -178.9 | 0 | 117 | ||
| 3 | S | 49.3 | Very low | 41.1 | Very low | 102 Ų | 102 | 152.7 Ų | 152.7 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -30.1 | -174.2 | 176.9 | 0 | 0 | 0 | 0 | 115 | M1 K5 | M1-S3 PolarHBondContact O-N 3.19Å; S3-K5 VanDerWaalsContact C-N 3.35Å; S3-K5 PolarHBondContact O-N 3.41Å |
| 4 | L | 39.6 | Very low | 42 | Very low | 131 Ų | 131 | 152.3 Ų | 152.3 | 69% | 0.686 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -70.9 | -26.2 | -175.4 | -83.5 | 160 | 0 | 0 | 0 | 114 | A6 K7 | L4-A6 PolarHBondContact O-N 3.38Å; L4-K7 PolarHBondContact O-N 3.25Å |
| 5 | K | 39 | Very low | 43.6 | Very low | 194 Ų | 194 | 151.7 Ų | 151.7 | 84% | 0.843 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -71.1 | -10.3 | -176.8 | -141.3 | 172.8 | -173.8 | -179.7 | 0 | 113.8 | S3 | S3-K5 VanDerWaalsContact C-N 3.35Å; S3-K5 PolarHBondContact O-N 3.41Å |
| 6 | A | 42.6 | Very low | 45.7 | Very low | 84 Ų | 84 | 148.3 Ų | 148.3 | 69% | 0.694 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -84.1 | -17.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L4 | L4-A6 PolarHBondContact O-N 3.38Š|
| 7 | K | 39.4 | Very low | 47.7 | Very low | 173 Ų | 173 | 142.7 Ų | 142.7 | 75% | 0.752 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -90.1 | 0.7 | -176.3 | -73.1 | -166.4 | 172.4 | -171.4 | 0 | 115.1 | L4 | L4-K7 PolarHBondContact O-N 3.25Š|
| 8 | F | 37.7 | Very low | 49.6 | Very low | 183 Ų | 183 | 143.5 Ų | 143.5 | 80% | 0.803 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -118.5 | 4.4 | -175.7 | -95.4 | -79.6 | 0 | 0 | 0 | 115.7 | K10 | F8-K10 PolarHBondContact O-N 3.39Š|
| 9 | R | 38.8 | Very low | 51.4 | Low | 203 Ų | 203 | 138 Ų | 138 | 77% | 0.766 | 67% | 0.674 | S | S | * | * | trans | -88.6 | 85.9 | 164 | -88.7 | -169.7 | 151.9 | 162.7 | 1.4 | 110.1 | D12 | R9-D12 IonicContact CZ-OD2 2.61Å; R9-D12 IonicContact NE-OD2 2.71Å; R9-D12 PolarHBondContact NE-OD2 2.78Å; R9-D12 IonicContact NH2-OD2 3.12Å | ||
| 10 | K | 38.6 | Very low | 53.1 | Low | 192 Ų | 192 | 131.2 Ų | 131.2 | 84% | 0.835 | 64% | 0.641 | S | S | * | * | trans | -138.6 | 26.6 | 172 | -146.5 | -176.6 | -178.6 | -171.9 | 0 | 112.7 | F8 | F8-K10 PolarHBondContact O-N 3.39Š| ||
| 11 | T | 37.7 | Very low | 54.7 | Low | 108 Ų | 108 | 130 Ų | 130 | 66% | 0.663 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -128.6 | -19.1 | -172.7 | 43.1 | 0 | 0 | 0 | 0 | 113.5 | V13 | T11-V13 PolarHBondContact O-N 3.25Š|
| 12 | D | 40 | Very low | 57 | Low | 76 Ų | 76 | 126 Ų | 126 | 41% | 0.406 | 61% | 0.607 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.2 | 33.6 | -170.6 | -46 | -3.8 | 0 | 0 | 0 | 111.5 | R9 | R9-D12 IonicContact CZ-OD2 2.61Å; R9-D12 IonicContact NE-OD2 2.71Å; R9-D12 PolarHBondContact NE-OD2 2.78Å; R9-D12 IonicContact NH2-OD2 3.12Å |
| 13 | V | 49.8 | Very low | 59.4 | Low | 101 Ų | 101 | 116.1 Ų | 116.1 | 61% | 0.612 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | -26.6 | -174.4 | -176.1 | 0 | 0 | 0 | 0 | 111.9 | T11 K48 | T11-V13 PolarHBondContact O-N 3.25Å; V13-K48 WeakPolarHBondContact O-CE 3.46Å |
| 14 | N | 54.3 | Low | 61.3 | Low | 147 Ų | 147 | 112.4 Ų | 112.4 | 79% | 0.786 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -101.3 | 2.9 | -170.9 | -70.5 | 15.7 | 0 | 0 | 0 | 114.6 | W16 | N14-W16 PolarHBondContact O-N 3.41Š|
| 15 | E | 65.3 | Low | 63.8 | Low | 144 Ų | 144 | 108 Ų | 108 | 67% | 0.673 | 52% | 0.518 | S | S | * | . | trans | -68.5 | 126.4 | 172.4 | -69.1 | -168.8 | 149.8 | 0 | 0 | 110.3 | N17 K48 | E15-N17 PolarHBondContact O-N 3.45Å; E15-K48 PolarHBondContact O-NZ 3.04Å | ||
| 16 | W | 77.8 | Confident | 66.3 | Low | 96 Ų | 96 | 98.9 Ų | 98.9 | 36% | 0.364 | 48% | 0.479 | S | S | . | . | trans | -67.5 | 121.2 | 173.1 | -178 | -96 | 0 | 0 | 0 | 109.6 | N14 D20 E21 L24 K48 L49 D50 | N14-W16 PolarHBondContact O-N 3.41Å; W16-D20 HydrophobicContact CD2-CB 4.03Å; W16-D20 HydrophobicContact CE3-CB 4Å; W16-D20 HydrophobicContact CH2-CB 4.19Å; W16-D20 HydrophobicContact CZ2-CB 4.23Å; W16-D20 HydrophobicContact CZ3-CB 4.07Å; W16-E21 HydrophobicContact CZ2-CB 4.5Å; W16-L24 HydrophobicContact CH2-CB 4.46Å; W16-L24 HydrophobicContact CH2-CD2 4.25Å; W16-L24 HydrophobicContact CZ2-CB 4.47Å; W16-L24 HydrophobicContact CZ2-CD2 4.15Å; W16-K48 HydrophobicContact CE3-CB 4.08Å; W16-K48 HydrophobicContact CZ3-CB 3.92Å; W16-L49 VanDerWaalsContact CZ3-C 3.45Å; W16-L49 VanDerWaalsContact CZ3-O 3.31Å; W16-L49 WeakPolarHBondContact CZ3-O 3.36Å; W16-D50 HydrophobicContact CH2-CB 3.63Å; W16-D50 HydrophobicContact CZ2-CB 3.95Å; W16-D50 HydrophobicContact CZ3-CB 4.09Å | ||
| 17 | N | 79.3 | Confident | 68.7 | Low | 54 Ų | 54 | 94.9 Ų | 94.9 | 29% | 0.289 | 45% | 0.446 | S | S | . | . | trans | -113.9 | 163.6 | -173 | 79.1 | 55.7 | 0 | 0 | 0 | 112.8 | E15 N19 D20 E21 | E15-N17 PolarHBondContact O-N 3.45Å; N17-N19 PolarHBondContact O-N 2.97Å; N17-N19 VanDerWaalsContact OD1-CA 3.31Å; N17-N19 WeakPolarHBondContact OD1-CA 3.48Å; N17-N19 VanDerWaalsContact OD1-CB 3.25Å; N17-N19 WeakPolarHBondContact OD1-CB 3.36Å; N17-N19 PolarHBondContact OD1-N 2.78Å; N17-D20 PolarHBondContact N-OD2 2.91Å; N17-D20 PolarHBondContact ND2-OD2 2.85Å; N17-D20 WeakPolarHBondContact O-CA 3.31Å; N17-D20 WeakPolarHBondContact O-CB 3.43Å; N17-D20 PolarHBondContact O-N 3.18Å; N17-D20 PolarHBondContact OD1-N 3.17Å; N17-D20 VanDerWaalsContact OD1-N 3.11Å; N17-E21 PolarHBondContact O-N 3.03Å | ||
| 18 | K | 82 | Confident | 71.2 | Confident | 157 Ų | 157 | 90.1 Ų | 90.1 | 68% | 0.683 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -3.6 | -177.7 | -61.6 | -170.5 | 176 | -171 | 0 | 115.1 | R22 | K18-R22 WeakPolarHBondContact O-CD 3.35Å; K18-R22 WeakPolarHBondContact O-CG 3.43Å |
| 19 | N | 84.2 | Confident | 73.6 | Confident | 39 Ų | 39 | 88.1 Ų | 88.1 | 21% | 0.209 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | -28.5 | 168 | -55.5 | -42.8 | 0 | 0 | 0 | 111.6 | N17 R22 L23 K42 A44 | N17-N19 PolarHBondContact O-N 2.97Å; N17-N19 VanDerWaalsContact OD1-CA 3.31Å; N17-N19 WeakPolarHBondContact OD1-CA 3.48Å; N17-N19 VanDerWaalsContact OD1-CB 3.25Å; N17-N19 WeakPolarHBondContact OD1-CB 3.36Å; N17-N19 PolarHBondContact OD1-N 2.78Å; N19-R22 PolarHBondContact O-N 3.44Å; N19-L23 VanDerWaalsContact O-CB 3.27Å; N19-L23 WeakPolarHBondContact O-CB 3.28Å; N19-L23 PolarHBondContact O-N 3.42Å; N19-K42 HydrophobicContact CB-CB 4.37Å; N19-K42 PolarHBondContact ND2-O 3.36Å; N19-A44 HydrophobicContact CB-CB 4.09Å |
| 20 | D | 85.9 | Confident | 76.1 | Confident | 2 Ų | 2 | 79.6 Ų | 79.6 | 1% | 0.011 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -67.6 | -46 | 170.7 | -52.4 | -46.2 | 0 | 0 | 0 | 110 | W16 N17 R22 L23 L24 A44 N45 K48 | W16-D20 HydrophobicContact CD2-CB 4.03Å; W16-D20 HydrophobicContact CE3-CB 4Å; W16-D20 HydrophobicContact CH2-CB 4.19Å; W16-D20 HydrophobicContact CZ2-CB 4.23Å; W16-D20 HydrophobicContact CZ3-CB 4.07Å; N17-D20 PolarHBondContact N-OD2 2.91Å; N17-D20 PolarHBondContact ND2-OD2 2.85Å; N17-D20 WeakPolarHBondContact O-CA 3.31Å; N17-D20 WeakPolarHBondContact O-CB 3.43Å; N17-D20 PolarHBondContact O-N 3.18Å; N17-D20 PolarHBondContact OD1-N 3.17Å; N17-D20 VanDerWaalsContact OD1-N 3.11Å; D20-R22 VanDerWaalsContact C-N 3.31Å; D20-R22 PolarHBondContact O-N 3.46Å; D20-L23 WeakPolarHBondContact O-CB 3.34Å; D20-L23 PolarHBondContact O-N 3.31Å; D20-L23 VanDerWaalsContact O-N 3.08Å; D20-L24 PolarHBondContact O-N 2.87Å; D20-A44 WeakPolarHBondContact OD1-CA 3.31Å; D20-N45 PolarHBondContact OD1-N 3.39Å; D20-K48 HydrophobicContact CB-CD 4.44Å; D20-K48 IonicContact OD1-NZ 3.53Å; D20-K48 VanDerWaalsContact OD2-CD 3.26Å; D20-K48 WeakPolarHBondContact OD2-CD 3.24Å; D20-K48 IonicContact OD2-NZ 3.36Å; D20-K48 PolarHBondContact OD2-NZ 3.41Å |
| 21 | E | 86.8 | Confident | 78.6 | Confident | 107 Ų | 107 | 73.9 Ų | 73.9 | 50% | 0.5 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -54.5 | -43.8 | 170.6 | -176.6 | -175.4 | -160.7 | 0 | 0 | 112.4 | W16 N17 A25 | W16-E21 HydrophobicContact CZ2-CB 4.5Å; N17-E21 PolarHBondContact O-N 3.03Å; E21-A25 PolarHBondContact O-N 3.18Å |
| 22 | R | 88.7 | Confident | 81.2 | Confident | 143 Ų | 143 | 71.2 Ų | 71.2 | 54% | 0.54 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -73.6 | -27.9 | 176.2 | -75 | 174.3 | 175.9 | 154.1 | -7.4 | 113.5 | K18 N19 D20 A26 L38 | K18-R22 WeakPolarHBondContact O-CD 3.35Å; K18-R22 WeakPolarHBondContact O-CG 3.43Å; N19-R22 PolarHBondContact O-N 3.44Å; D20-R22 VanDerWaalsContact C-N 3.31Å; D20-R22 PolarHBondContact O-N 3.46Å; R22-A26 WeakPolarHBondContact O-CB 3.49Å; R22-A26 PolarHBondContact O-N 2.93Å; R22-L38 HydrophobicContact CB-CD1 3.88Å; R22-L38 HydrophobicContact CB-CD2 4.48Å; R22-L38 WeakPolarHBondContact O-CD1 3.5Å |
| 23 | L | 90.5 | Very high | 83.6 | Confident | 2 Ų | 2 | 74.4 Ų | 74.4 | 1% | 0.01 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -70.4 | -44.1 | 175.3 | 175.4 | 65.4 | 0 | 0 | 0 | 109.5 | N19 D20 A26 V27 V35 L38 L39 A44 A46 A56 | N19-L23 VanDerWaalsContact O-CB 3.27Å; N19-L23 WeakPolarHBondContact O-CB 3.28Å; N19-L23 PolarHBondContact O-N 3.42Å; D20-L23 WeakPolarHBondContact O-CB 3.34Å; D20-L23 PolarHBondContact O-N 3.31Å; D20-L23 VanDerWaalsContact O-N 3.08Å; L23-A26 PolarHBondContact O-N 2.98Å; L23-V27 WeakPolarHBondContact O-CG2 3.45Å; L23-V27 PolarHBondContact O-N 3.5Å; L23-V35 HydrophobicContact CD1-CB 4.33Å; L23-V35 HydrophobicContact CD1-CG1 3.94Å; L23-V35 HydrophobicContact CD1-CG2 4.4Å; L23-L38 HydrophobicContact CB-CD1 4.25Å; L23-L38 HydrophobicContact CD1-CB 4.42Å; L23-L39 HydrophobicContact CD1-CD1 4.37Å; L23-L39 HydrophobicContact CD1-CD2 4.2Å; L23-L39 HydrophobicContact CD1-CG 4.01Å; L23-L39 HydrophobicContact CD2-CD2 3.74Å; L23-L39 HydrophobicContact CD2-CG 4.43Å; L23-A44 HydrophobicContact CB-CB 4.02Å; L23-A44 HydrophobicContact CD2-CB 3.82Å; L23-A44 HydrophobicContact CG-CB 4.46Å; L23-A46 HydrophobicContact CD2-CB 4.34Å; L23-A56 HydrophobicContact CD2-CB 4.18Å; L23-A56 HydrophobicContact CG-CB 4.03Å |
| 24 | L | 90.4 | Very high | 85.4 | Confident | 24 Ų | 24 | 74.8 Ų | 74.8 | 13% | 0.126 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -56.6 | -54.3 | 172.7 | -167.1 | 70.5 | 0 | 0 | 0 | 110.4 | W16 D20 A26 V27 E28 D50 A56 V59 | W16-L24 HydrophobicContact CH2-CB 4.46Å; W16-L24 HydrophobicContact CH2-CD2 4.25Å; W16-L24 HydrophobicContact CZ2-CB 4.47Å; W16-L24 HydrophobicContact CZ2-CD2 4.15Å; D20-L24 PolarHBondContact O-N 2.87Å; L24-A26 PolarHBondContact O-N 3.2Å; L24-V27 PolarHBondContact O-N 3.15Å; L24-V27 VanDerWaalsContact O-N 3.15Å; L24-E28 WeakPolarHBondContact O-CG 3.22Å; L24-E28 PolarHBondContact O-N 2.88Å; L24-D50 HydrophobicContact CD2-CB 3.89Å; L24-D50 WeakPolarHBondContact CD2-OD2 3.2Å; L24-A56 HydrophobicContact CD1-CB 4.48Å; L24-V59 HydrophobicContact CD1-CB 4.44Å; L24-V59 HydrophobicContact CD1-CG2 3.69Å |
| 25 | A | 90.1 | Very high | 87.1 | Confident | 38 Ų | 38 | 67.8 Ų | 67.8 | 31% | 0.314 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.6 | -40.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E21 V27 E28 H29 | E21-A25 PolarHBondContact O-N 3.18Å; A25-V27 VanDerWaalsContact C-N 3.34Å; A25-E28 PolarHBondContact O-N 2.85Å; A25-H29 PolarHBondContact O-N 2.82Å; A25-H29 VanDerWaalsContact O-N 3.15Å; A25-H29 PolarHBondContact O-ND1 3.12Å |
| 26 | A | 92.5 | Very high | 88.3 | Confident | 4 Ų | 4 | 63.5 Ų | 63.5 | 3% | 0.033 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.6 | -38.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | R22 L23 L24 G30 E31 K34 V35 L38 | R22-A26 WeakPolarHBondContact O-CB 3.49Å; R22-A26 PolarHBondContact O-N 2.93Å; L23-A26 PolarHBondContact O-N 2.98Å; L24-A26 PolarHBondContact O-N 3.2Å; A26-G30 PolarHBondContact O-N 3.35Å; A26-E31 HydrophobicContact CB-CB 4.46Å; A26-E31 PolarHBondContact O-N 2.75Å; A26-K34 HydrophobicContact CB-CB 3.98Å; A26-V35 HydrophobicContact CB-CG2 3.96Å; A26-L38 HydrophobicContact CB-CD1 4.23Å |
| 27 | V | 93.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.9 | -44.5 | 171.8 | 169.2 | 0 | 0 | 0 | 0 | 110.9 | L23 L24 A25 H29 G30 V35 A56 V59 A60 L65 M72 | L23-V27 WeakPolarHBondContact O-CG2 3.45Å; L23-V27 PolarHBondContact O-N 3.5Å; L24-V27 PolarHBondContact O-N 3.15Å; L24-V27 VanDerWaalsContact O-N 3.15Å; A25-V27 VanDerWaalsContact C-N 3.34Å; V27-H29 PolarHBondContact O-N 2.76Å; V27-G30 PolarHBondContact O-N 2.98Å; V27-V35 HydrophobicContact CG2-CG1 4.31Å; V27-V35 HydrophobicContact CG2-CG2 3.61Å; V27-A56 HydrophobicContact CG2-CB 4.19Å; V27-V59 HydrophobicContact CG1-CB 4.13Å; V27-V59 HydrophobicContact CG1-CG1 3.99Å; V27-A60 HydrophobicContact CG1-CB 3.67Å; V27-L65 HydrophobicContact CG1-CD1 4.38Å; V27-L65 WeakPolarHBondContact O-CD1 3.43Å; V27-M72 HydrophobicContact CG1-CE 4.41Å; V27-M72 HydrophobicContact CG2-CE 3.77Å; V27-M72 HydrophobicContact CG2-SD 4.01Å |
| 28 | E | 90.9 | Very high | 89.1 | Confident | 73 Ų | 73 | 58.9 Ų | 58.9 | 34% | 0.341 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -56.7 | -37.4 | 179.2 | -74.3 | -166.7 | 114.6 | 0 | 0 | 113.3 | L24 A25 V59 R63 | L24-E28 WeakPolarHBondContact O-CG 3.22Å; L24-E28 PolarHBondContact O-N 2.88Å; A25-E28 PolarHBondContact O-N 2.85Å; E28-V59 HydrophobicContact CG-CG1 3.73Å; E28-R63 PolarHBondContact O-NH1 3.38Å; E28-R63 IonicContact OE1-CZ 2.61Å; E28-R63 IonicContact OE1-NH2 3.46Å; E28-R63 PolarHBondContact OE1-NH2 3.39Å |
| 29 | H | 88.9 | Confident | 89.3 | Confident | 140 Ų | 140 | 52.5 Ų | 52.5 | 65% | 0.648 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | 4.4 | 179.3 | -62.3 | 77.5 | 0 | 0 | 0 | 113.4 | A25 V27 E31 | A25-H29 PolarHBondContact O-N 2.82Å; A25-H29 VanDerWaalsContact O-N 3.15Å; A25-H29 PolarHBondContact O-ND1 3.12Å; V27-H29 PolarHBondContact O-N 2.76Å; H29-E31 VanDerWaalsContact C-N 3.33Å; H29-E31 HydrophobicContact CB-CG 3.84Å; H29-E31 PolarHBondContact O-N 2.73Å |
| 30 | G | 90.6 | Very high | 89.2 | Confident | 25 Ų | 25 | 54.5 Ų | 54.5 | 26% | 0.258 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.8 | 17.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | A26 V27 V32 | A26-G30 PolarHBondContact O-N 3.35Å; V27-G30 PolarHBondContact O-N 2.98Å; G30-V32 PolarHBondContact O-N 3.47Å |
| 31 | E | 92.2 | Very high | 88.7 | Confident | 71 Ų | 71 | 62 Ų | 62 | 33% | 0.332 | 32% | 0.317 | S | S | . | . | trans | -83.4 | 72.5 | -167 | -57.3 | -171.4 | 122.2 | 0 | 0 | 112.9 | A26 H29 D33 K34 V35 | A26-E31 HydrophobicContact CB-CB 4.46Å; A26-E31 PolarHBondContact O-N 2.75Å; H29-E31 VanDerWaalsContact C-N 3.33Å; H29-E31 HydrophobicContact CB-CG 3.84Å; H29-E31 PolarHBondContact O-N 2.73Å; E31-D33 VanDerWaalsContact C-N 3.32Å; E31-D33 PolarHBondContact O-N 3.24Å; E31-D33 VanDerWaalsContact O-N 3.16Å; E31-K34 HydrophobicContact CB-CB 4.14Å; E31-K34 HydrophobicContact CB-CD 4.32Å; E31-K34 HydrophobicContact CB-CG 4.22Å; E31-K34 VanDerWaalsContact CD-CE 3.47Å; E31-K34 WeakPolarHBondContact O-CA 3.41Å; E31-K34 PolarHBondContact O-N 2.94Å; E31-K34 VanDerWaalsContact OE1-CE 3.31Å; E31-K34 WeakPolarHBondContact OE1-CE 3.34Å; E31-K34 IonicContact OE1-NZ 2.82Å; E31-K34 PolarHBondContact OE1-NZ 2.86Å; E31-K34 VanDerWaalsContact OE2-CD 3.25Å; E31-K34 WeakPolarHBondContact OE2-CD 3.41Å; E31-K34 VanDerWaalsContact OE2-CE 3.23Å; E31-K34 WeakPolarHBondContact OE2-CE 3.43Å; E31-K34 IonicContact OE2-NZ 2.72Å; E31-K34 PolarHBondContact OE2-NZ 3.44Å; E31-V35 PolarHBondContact O-N 3.2Å | ||
| 32 | V | 91.9 | Very high | 87.9 | Confident | 52 Ų | 52 | 62 Ų | 62 | 32% | 0.315 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -46 | -48.3 | -174.1 | -171.7 | 0 | 0 | 0 | 0 | 113.3 | G30 K34 V35 V36 E67 | G30-V32 PolarHBondContact O-N 3.47Å; V32-K34 VanDerWaalsContact C-N 3.29Å; V32-K34 PolarHBondContact O-N 3.2Å; V32-V35 WeakPolarHBondContact O-CB 3.26Å; V32-V35 PolarHBondContact O-N 2.85Å; V32-V35 VanDerWaalsContact O-N 3.15Å; V32-V36 HydrophobicContact CG1-CG2 4.4Å; V32-V36 WeakPolarHBondContact O-CG2 3.37Å; V32-V36 PolarHBondContact O-N 2.98Å; V32-E67 HydrophobicContact CG1-CB 4.45Å; V32-E67 HydrophobicContact CG2-CB 3.96Å |
| 33 | D | 90.8 | Very high | 86.9 | Confident | 143 Ų | 143 | 58 Ų | 58 | 77% | 0.765 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -59.5 | -37.8 | 179 | -71.1 | -45.7 | 0 | 0 | 0 | 113.1 | E31 S37 | E31-D33 VanDerWaalsContact C-N 3.32Å; E31-D33 PolarHBondContact O-N 3.24Å; E31-D33 VanDerWaalsContact O-N 3.16Å; D33-S37 WeakPolarHBondContact O-CB 3.35Å; D33-S37 PolarHBondContact O-N 3.08Å |
| 34 | K | 87.7 | Confident | 86.3 | Confident | 109 Ų | 109 | 58.3 Ų | 58.3 | 47% | 0.474 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -75.1 | -37.1 | 178.1 | -59.5 | -167.4 | -150 | 160 | 0 | 110.5 | A26 E31 V32 S37 L38 | A26-K34 HydrophobicContact CB-CB 3.98Å; E31-K34 HydrophobicContact CB-CB 4.14Å; E31-K34 HydrophobicContact CB-CD 4.32Å; E31-K34 HydrophobicContact CB-CG 4.22Å; E31-K34 VanDerWaalsContact CD-CE 3.47Å; E31-K34 WeakPolarHBondContact O-CA 3.41Å; E31-K34 PolarHBondContact O-N 2.94Å; E31-K34 VanDerWaalsContact OE1-CE 3.31Å; E31-K34 WeakPolarHBondContact OE1-CE 3.34Å; E31-K34 IonicContact OE1-NZ 2.82Å; E31-K34 PolarHBondContact OE1-NZ 2.86Å; E31-K34 VanDerWaalsContact OE2-CD 3.25Å; E31-K34 WeakPolarHBondContact OE2-CD 3.41Å; E31-K34 VanDerWaalsContact OE2-CE 3.23Å; E31-K34 WeakPolarHBondContact OE2-CE 3.43Å; E31-K34 IonicContact OE2-NZ 2.72Å; E31-K34 PolarHBondContact OE2-NZ 3.44Å; V32-K34 VanDerWaalsContact C-N 3.29Å; V32-K34 PolarHBondContact O-N 3.2Å; K34-S37 PolarHBondContact O-N 3.41Å; K34-L38 VanDerWaalsContact O-CB 3.31Å; K34-L38 WeakPolarHBondContact O-CB 3.45Å; K34-L38 WeakPolarHBondContact O-CG 3.32Å; K34-L38 PolarHBondContact O-N 3.46Å |
| 35 | V | 89.7 | Confident | 85.9 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -57 | -56.6 | 171.7 | 174 | 0 | 0 | 0 | 0 | 110.4 | L23 A26 V27 E31 V32 S37 L38 L39 A71 M72 | L23-V35 HydrophobicContact CD1-CB 4.33Å; L23-V35 HydrophobicContact CD1-CG1 3.94Å; L23-V35 HydrophobicContact CD1-CG2 4.4Å; A26-V35 HydrophobicContact CB-CG2 3.96Å; V27-V35 HydrophobicContact CG2-CG1 4.31Å; V27-V35 HydrophobicContact CG2-CG2 3.61Å; E31-V35 PolarHBondContact O-N 3.2Å; V32-V35 WeakPolarHBondContact O-CB 3.26Å; V32-V35 PolarHBondContact O-N 2.85Å; V32-V35 VanDerWaalsContact O-N 3.15Å; V35-S37 VanDerWaalsContact C-N 3.33Å; V35-S37 PolarHBondContact O-N 3.34Å; V35-L38 PolarHBondContact O-N 3.42Å; V35-L39 HydrophobicContact CG1-CD1 3.72Å; V35-L39 WeakPolarHBondContact O-CD1 3.47Å; V35-L39 VanDerWaalsContact O-CG 3.24Å; V35-L39 WeakPolarHBondContact O-CG 3.44Å; V35-L39 PolarHBondContact O-N 3.01Å; V35-A71 HydrophobicContact CG1-CB 4.22Å; V35-M72 HydrophobicContact CG1-CG 4.01Å |
| 36 | V | 89.1 | Confident | 85.6 | Confident | 54 Ų | 54 | 58.8 Ų | 58.8 | 33% | 0.327 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -56.2 | -45.2 | 176.5 | 172.8 | 0 | 0 | 0 | 0 | 111.7 | V32 T40 A71 | V32-V36 HydrophobicContact CG1-CG2 4.4Å; V32-V36 WeakPolarHBondContact O-CG2 3.37Å; V32-V36 PolarHBondContact O-N 2.98Å; V36-T40 WeakPolarHBondContact O-CB 3.05Å; V36-T40 PolarHBondContact O-N 2.83Å; V36-T40 PolarHBondContact O-OG1 3.44Å; V36-A71 HydrophobicContact CG2-CB 3.59Å |
| 37 | S | 88.2 | Confident | 85.2 | Confident | 42 Ų | 42 | 59.6 Ų | 59.6 | 29% | 0.294 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.7 | -37.8 | -178.8 | -173.1 | 0 | 0 | 0 | 0 | 113.2 | D33 K34 V35 K41 | D33-S37 WeakPolarHBondContact O-CB 3.35Å; D33-S37 PolarHBondContact O-N 3.08Å; K34-S37 PolarHBondContact O-N 3.41Å; V35-S37 VanDerWaalsContact C-N 3.33Å; V35-S37 PolarHBondContact O-N 3.34Å; S37-K41 VanDerWaalsContact O-CB 3.27Å; S37-K41 WeakPolarHBondContact O-CB 3.43Å; S37-K41 PolarHBondContact O-N 3.34Å |
| 38 | L | 87.2 | Confident | 84.8 | Confident | 12 Ų | 12 | 61.1 Ų | 61.1 | 6% | 0.063 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -71.9 | -41.7 | 177.8 | -71.4 | 172.9 | 0 | 0 | 0 | 112.2 | R22 L23 A26 K34 V35 K42 G43 A44 | R22-L38 HydrophobicContact CB-CD1 3.88Å; R22-L38 HydrophobicContact CB-CD2 4.48Å; R22-L38 WeakPolarHBondContact O-CD1 3.5Å; L23-L38 HydrophobicContact CB-CD1 4.25Å; L23-L38 HydrophobicContact CD1-CB 4.42Å; A26-L38 HydrophobicContact CB-CD1 4.23Å; K34-L38 VanDerWaalsContact O-CB 3.31Å; K34-L38 WeakPolarHBondContact O-CB 3.45Å; K34-L38 WeakPolarHBondContact O-CG 3.32Å; K34-L38 PolarHBondContact O-N 3.46Å; V35-L38 PolarHBondContact O-N 3.42Å; L38-K42 HydrophobicContact CD2-CD 3.85Å; L38-K42 PolarHBondContact O-N 3.35Å; L38-G43 PolarHBondContact O-N 3.35Å; L38-A44 HydrophobicContact CB-CB 4.37Å |
| 39 | L | 85.6 | Confident | 84.6 | Confident | 22 Ų | 22 | 61.3 Ų | 61.3 | 12% | 0.115 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.4 | -54.8 | 174.7 | -65.8 | 163.7 | 0 | 0 | 0 | 110.4 | L23 V35 A46 M72 H75 | L23-L39 HydrophobicContact CD1-CD1 4.37Å; L23-L39 HydrophobicContact CD1-CD2 4.2Å; L23-L39 HydrophobicContact CD1-CG 4.01Å; L23-L39 HydrophobicContact CD2-CD2 3.74Å; L23-L39 HydrophobicContact CD2-CG 4.43Å; V35-L39 HydrophobicContact CG1-CD1 3.72Å; V35-L39 WeakPolarHBondContact O-CD1 3.47Å; V35-L39 VanDerWaalsContact O-CG 3.24Å; V35-L39 WeakPolarHBondContact O-CG 3.44Å; V35-L39 PolarHBondContact O-N 3.01Å; L39-A46 HydrophobicContact CD2-CB 4.23Å; L39-M72 HydrophobicContact CD1-CG 3.8Å; L39-H75 HydrophobicContact CB-CB 4.18Å; L39-H75 HydrophobicContact CD1-CB 4.17Å |
| 40 | T | 82.5 | Confident | 84.4 | Confident | 82 Ų | 82 | 56 Ų | 56 | 50% | 0.503 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.3 | -46.9 | -175.8 | -56.6 | 0 | 0 | 0 | 0 | 113.3 | V36 H75 | V36-T40 WeakPolarHBondContact O-CB 3.05Å; V36-T40 PolarHBondContact O-N 2.83Å; V36-T40 PolarHBondContact O-OG1 3.44Å; T40-H75 PolarHBondContact OG1-CE1 3.29Å; T40-H75 PolarHBondContact OG1-NE2 3.42Å |
| 41 | K | 74.4 | Confident | 83.9 | Confident | 160 Ų | 160 | 59.1 Ų | 59.1 | 70% | 0.696 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -104.3 | -10.1 | -164.6 | -58.5 | 174.3 | 179.9 | 169.3 | 0 | 114.3 | S37 | S37-K41 VanDerWaalsContact O-CB 3.27Å; S37-K41 WeakPolarHBondContact O-CB 3.43Å; S37-K41 PolarHBondContact O-N 3.34Å |
| 42 | K | 70.8 | Confident | 83.3 | Confident | 106 Ų | 106 | 62 Ų | 62 | 46% | 0.461 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -135.2 | 1.9 | -171.8 | -54.9 | -167 | -165 | 164.5 | 0 | 116 | N19 L38 A44 | N19-K42 HydrophobicContact CB-CB 4.37Å; N19-K42 PolarHBondContact ND2-O 3.36Å; L38-K42 HydrophobicContact CD2-CD 3.85Å; L38-K42 PolarHBondContact O-N 3.35Å; K42-A44 VanDerWaalsContact C-N 3.27Å; K42-A44 PolarHBondContact O-N 2.88Å |
| 43 | G | 67.3 | Low | 83 | Confident | 58 Ų | 58 | 60.1 Ų | 60.1 | 60% | 0.598 | 35% | 0.348 | S | S | * | . | trans | 63.5 | 30.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | L38 | L38-G43 PolarHBondContact O-N 3.35Š| ||
| 44 | A | 78.8 | Confident | 82.9 | Confident | 9 Ų | 9 | 56.9 Ų | 56.9 | 7% | 0.074 | 33% | 0.327 | C | S | . | . | trans | -67.3 | 146.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | N19 D20 L23 L38 K42 | N19-A44 HydrophobicContact CB-CB 4.09Å; D20-A44 WeakPolarHBondContact OD1-CA 3.31Å; L23-A44 HydrophobicContact CB-CB 4.02Å; L23-A44 HydrophobicContact CD2-CB 3.82Å; L23-A44 HydrophobicContact CG-CB 4.46Å; L38-A44 HydrophobicContact CB-CB 4.37Å; K42-A44 VanDerWaalsContact C-N 3.27Å; K42-A44 PolarHBondContact O-N 2.88Å | ||
| 45 | N | 81.3 | Confident | 83 | Confident | 71 Ų | 71 | 51.7 Ų | 51.7 | 38% | 0.38 | 31% | 0.305 | S | S | . | . | trans | -118 | 112.6 | -177 | -177.9 | 3.9 | 0 | 0 | 0 | 112.2 | D20 A47 K48 | D20-N45 PolarHBondContact OD1-N 3.39Å; N45-A47 PolarHBondContact O-N 2.94Å; N45-A47 VanDerWaalsContact O-N 3.11Å; N45-A47 WeakPolarHBondContact OD1-CB 3.49Å; N45-A47 PolarHBondContact OD1-N 3.12Å; N45-K48 HydrophobicContact CB-CD 4.23Å; N45-K48 HydrophobicContact CB-CG 4.04Å; N45-K48 PolarHBondContact O-N 3Å; N45-K48 VanDerWaalsContact O-N 3.09Å | ||
| 46 | A | 82.9 | Confident | 83.1 | Confident | 2 Ų | 2 | 51.9 Ų | 51.9 | 2% | 0.017 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -14.7 | 178 | 0 | 0 | 0 | 0 | 0 | 115.3 | L23 L39 S55 M72 A77 | L23-A46 HydrophobicContact CD2-CB 4.34Å; L39-A46 HydrophobicContact CD2-CB 4.23Å; A46-S55 WeakPolarHBondContact O-CB 3.34Å; A46-S55 PolarHBondContact O-OG 3.49Å; A46-M72 HydrophobicContact CB-CB 4.06Å; A46-M72 HydrophobicContact CB-CG 3.75Å; A46-M72 HydrophobicContact CB-SD 3.55Å; A46-M72 VanDerWaalsContact CB-SD 3.55Å; A46-A77 HydrophobicContact CB-CB 3.72Å |
| 47 | A | 84.5 | Confident | 83.3 | Confident | 21 Ų | 21 | 49.4 Ų | 49.4 | 17% | 0.174 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -10.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | N45 D78 V81 | N45-A47 PolarHBondContact O-N 2.94Å; N45-A47 VanDerWaalsContact O-N 3.11Å; N45-A47 WeakPolarHBondContact OD1-CB 3.49Å; N45-A47 PolarHBondContact OD1-N 3.12Å; A47-D78 HydrophobicContact CB-CB 3.88Å; A47-V81 HydrophobicContact CB-CG2 3.79Å |
| 48 | K | 84.9 | Confident | 83.6 | Confident | 32 Ų | 32 | 47.5 Ų | 47.5 | 14% | 0.139 | 28% | 0.277 | C | S | . | . | trans | -70.3 | 144.8 | 176.8 | -79.8 | -178.7 | -177.7 | -177.1 | 0 | 111.4 | V13 E15 W16 D20 N45 S55 | V13-K48 WeakPolarHBondContact O-CE 3.46Å; E15-K48 PolarHBondContact O-NZ 3.04Å; W16-K48 HydrophobicContact CE3-CB 4.08Å; W16-K48 HydrophobicContact CZ3-CB 3.92Å; D20-K48 HydrophobicContact CB-CD 4.44Å; D20-K48 IonicContact OD1-NZ 3.53Å; D20-K48 VanDerWaalsContact OD2-CD 3.26Å; D20-K48 WeakPolarHBondContact OD2-CD 3.24Å; D20-K48 IonicContact OD2-NZ 3.36Å; D20-K48 PolarHBondContact OD2-NZ 3.41Å; N45-K48 HydrophobicContact CB-CD 4.23Å; N45-K48 HydrophobicContact CB-CG 4.04Å; N45-K48 PolarHBondContact O-N 3Å; N45-K48 VanDerWaalsContact O-N 3.09Å; K48-S55 VanDerWaalsContact O-CA 3.24Å; K48-S55 WeakPolarHBondContact O-CA 3.48Å; K48-S55 WeakPolarHBondContact O-CB 3.44Å | ||
| 49 | L | 87.6 | Confident | 83.8 | Confident | 76 Ų | 76 | 47.6 Ų | 47.6 | 40% | 0.398 | 28% | 0.278 | S | S | . | . | B | Isolated β-bridge | trans | -93.3 | 139.8 | 175.5 | -54.9 | -172.7 | 0 | 0 | 0 | 111.4 | W16 G53 K54 V81 | W16-L49 VanDerWaalsContact CZ3-C 3.45Å; W16-L49 VanDerWaalsContact CZ3-O 3.31Å; W16-L49 WeakPolarHBondContact CZ3-O 3.36Å; L49-G53 WeakPolarHBondContact CD2-O 3.38Å; L49-K54 CarbonylContact C-O 3.6Å; L49-K54 VanDerWaalsContact CA-O 3.31Å; L49-K54 WeakPolarHBondContact CA-O 3.42Å; L49-V81 HydrophobicContact CD2-CG1 3.61Å |
| 50 | D | 85.3 | Confident | 84.3 | Confident | 29 Ų | 29 | 46.5 Ų | 46.5 | 16% | 0.155 | 27% | 0.273 | C | S | . | . | trans | -81.8 | -169.9 | 173.9 | 66.8 | 21.5 | 0 | 0 | 0 | 112.6 | W16 L24 E52 G53 K54 | W16-D50 HydrophobicContact CH2-CB 3.63Å; W16-D50 HydrophobicContact CZ2-CB 3.95Å; W16-D50 HydrophobicContact CZ3-CB 4.09Å; L24-D50 HydrophobicContact CD2-CB 3.89Å; L24-D50 WeakPolarHBondContact CD2-OD2 3.2Å; D50-E52 VanDerWaalsContact C-N 3.26Å; D50-E52 PolarHBondContact O-N 3.41Å; D50-E52 WeakPolarHBondContact OD1-CA 3.46Å; D50-E52 WeakPolarHBondContact OD1-CB 3.4Å; D50-E52 PolarHBondContact OD1-N 2.87Å; D50-G53 PolarHBondContact O-N 3.35Å; D50-G53 PolarHBondContact OD1-N 3.49Å; D50-K54 PolarHBondContact N-O 3.13Å; D50-K54 PolarHBondContact OD1-N 3.48Å | ||
| 51 | G | 80.2 | Confident | 84.8 | Confident | 91 Ų | 91 | 42.6 Ų | 42.6 | 94% | 0.938 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -16.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 52 | E | 78.6 | Confident | 85.8 | Confident | 131 Ų | 131 | 36.4 Ų | 36.4 | 61% | 0.612 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94 | -1.1 | 170.6 | -57.6 | -169.9 | 172.5 | 0 | 0 | 111.8 | D50 K54 | D50-E52 VanDerWaalsContact C-N 3.26Å; D50-E52 PolarHBondContact O-N 3.41Å; D50-E52 WeakPolarHBondContact OD1-CA 3.46Å; D50-E52 WeakPolarHBondContact OD1-CB 3.4Å; D50-E52 PolarHBondContact OD1-N 2.87Å; E52-K54 HydrophobicContact CB-CD 4.25Å; E52-K54 HydrophobicContact CB-CG 4.47Å; E52-K54 WeakPolarHBondContact OE2-CE 3.38Å; E52-K54 IonicContact OE2-NZ 2.71Å; E52-K54 PolarHBondContact OE2-NZ 2.87Å |
| 53 | G | 85 | Confident | 86.9 | Confident | 12 Ų | 12 | 37.1 Ų | 37.1 | 12% | 0.124 | 23% | 0.227 | C | C | . | . | S | Bend | trans | 77.8 | 20.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | L49 D50 D83 A84 | L49-G53 WeakPolarHBondContact CD2-O 3.38Å; D50-G53 PolarHBondContact O-N 3.35Å; D50-G53 PolarHBondContact OD1-N 3.49Å; G53-D83 WeakPolarHBondContact O-CA 3.47Å; G53-D83 WeakPolarHBondContact O-CB 3.39Å; G53-A84 PolarHBondContact O-N 3.11Å |
| 54 | K | 88.4 | Confident | 88.1 | Confident | 76 Ų | 76 | 35.2 Ų | 35.2 | 33% | 0.33 | 21% | 0.208 | S | C | . | . | trans | -102.3 | 149.6 | 178.5 | -63.1 | 164.8 | -175.9 | 166.6 | 0 | 110.7 | L49 D50 E52 H58 D83 | L49-K54 CarbonylContact C-O 3.6Å; L49-K54 VanDerWaalsContact CA-O 3.31Å; L49-K54 WeakPolarHBondContact CA-O 3.42Å; D50-K54 PolarHBondContact N-O 3.13Å; D50-K54 PolarHBondContact OD1-N 3.48Å; E52-K54 HydrophobicContact CB-CD 4.25Å; E52-K54 HydrophobicContact CB-CG 4.47Å; E52-K54 WeakPolarHBondContact OE2-CE 3.38Å; E52-K54 IonicContact OE2-NZ 2.71Å; E52-K54 PolarHBondContact OE2-NZ 2.87Å; K54-H58 HydrophobicContact CB-CB 4.44Å; K54-D83 HydrophobicContact CG-CB 4.35Å | ||
| 55 | S | 91.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 22% | 0.215 | C | C | . | . | B | Isolated β-bridge | trans | -100.4 | 163.2 | 170.8 | 92.6 | 0 | 0 | 0 | 0 | 112.4 | A46 K48 L57 H58 V59 | A46-S55 WeakPolarHBondContact O-CB 3.34Å; A46-S55 PolarHBondContact O-OG 3.49Å; K48-S55 VanDerWaalsContact O-CA 3.24Å; K48-S55 WeakPolarHBondContact O-CA 3.48Å; K48-S55 WeakPolarHBondContact O-CB 3.44Å; S55-L57 PolarHBondContact O-N 2.92Å; S55-L57 PolarHBondContact OG-N 3.05Å; S55-H58 WeakPolarHBondContact CB-ND1 3.33Å; S55-H58 PolarHBondContact N-ND1 3.01Å; S55-H58 WeakPolarHBondContact O-CA 3.47Å; S55-H58 WeakPolarHBondContact O-CB 3.39Å; S55-H58 PolarHBondContact O-N 3.15Å; S55-H58 PolarHBondContact OG-N 3.15Å; S55-H58 PolarHBondContact OG-ND1 2.56Å; S55-V59 PolarHBondContact O-N 3Å |
| 56 | A | 91.5 | Very high | 89.5 | Confident | 4 Ų | 4 | 35 Ų | 35 | 3% | 0.033 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -54.4 | -36.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L23 L24 V27 V59 A60 M72 | L23-A56 HydrophobicContact CD2-CB 4.18Å; L23-A56 HydrophobicContact CG-CB 4.03Å; L24-A56 HydrophobicContact CD1-CB 4.48Å; V27-A56 HydrophobicContact CG2-CB 4.19Å; A56-V59 PolarHBondContact O-N 3.49Å; A56-A60 PolarHBondContact O-N 3.48Å; A56-M72 HydrophobicContact CB-SD 3.71Å; A56-M72 WeakPolarHBondContact O-CE 3.49Å |
| 57 | L | 92.9 | Very high | 90 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.1 | -35.6 | 174.7 | -171.3 | 63.8 | 0 | 0 | 0 | 112.9 | S55 A61 L69 M72 L73 A77 L79 P89 | S55-L57 PolarHBondContact O-N 2.92Å; S55-L57 PolarHBondContact OG-N 3.05Å; L57-A61 VanDerWaalsContact O-CB 3.31Å; L57-A61 WeakPolarHBondContact O-CB 3.45Å; L57-A61 PolarHBondContact O-N 3.42Å; L57-L69 HydrophobicContact CD1-CD1 4.04Å; L57-L69 HydrophobicContact CD1-CG 3.94Å; L57-M72 HydrophobicContact CB-SD 4.48Å; L57-M72 HydrophobicContact CD1-CB 4.21Å; L57-M72 HydrophobicContact CD1-CE 4.22Å; L57-L73 HydrophobicContact CD1-CD2 4.33Å; L57-A77 HydrophobicContact CD2-CB 4.1Å; L57-L79 HydrophobicContact CD2-CD2 4.28Å; L57-P89 HydrophobicContact CB-CG 4.35Å; L57-P89 HydrophobicContact CD2-CB 4.44Å; L57-P89 HydrophobicContact CD2-CG 3.84Å; L57-P89 HydrophobicContact CG-CB 4.09Å; L57-P89 HydrophobicContact CG-CG 3.78Å |
| 58 | H | 93.3 | Very high | 90.4 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.009 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.8 | -43.2 | 173 | -68.6 | 76.4 | 0 | 0 | 0 | 111.3 | K54 S55 A61 A62 V81 D83 F87 P89 L92 | K54-H58 HydrophobicContact CB-CB 4.44Å; S55-H58 WeakPolarHBondContact CB-ND1 3.33Å; S55-H58 PolarHBondContact N-ND1 3.01Å; S55-H58 WeakPolarHBondContact O-CA 3.47Å; S55-H58 WeakPolarHBondContact O-CB 3.39Å; S55-H58 PolarHBondContact O-N 3.15Å; S55-H58 PolarHBondContact OG-N 3.15Å; S55-H58 PolarHBondContact OG-ND1 2.56Å; H58-A61 PolarHBondContact O-N 3.49Å; H58-A62 VanDerWaalsContact O-CB 3.27Å; H58-A62 WeakPolarHBondContact O-CB 3.5Å; H58-A62 PolarHBondContact O-N 2.6Å; H58-V81 PolarHBondContact CE1-O 2.86Å; H58-V81 PolarHBondContact NE2-O 3.44Å; H58-D83 PolarHBondContact NE2-N 3.4Å; H58-F87 PolarHBondContact CD2-O 3.25Å; H58-F87 PolarHBondContact NE2-O 2.96Å; H58-P89 WeakPolarHBondContact NE2-CD 3.37Å; H58-L92 HydrophobicContact CB-CD1 3.63Å |
| 59 | V | 93.1 | Very high | 90.8 | Very high | 14 Ų | 14 | 37.2 Ų | 37.2 | 9% | 0.085 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.4 | -43.9 | 178.9 | 178.1 | 0 | 0 | 0 | 0 | 111.6 | L24 V27 E28 S55 A56 A61 A62 R63 | L24-V59 HydrophobicContact CD1-CB 4.44Å; L24-V59 HydrophobicContact CD1-CG2 3.69Å; V27-V59 HydrophobicContact CG1-CB 4.13Å; V27-V59 HydrophobicContact CG1-CG1 3.99Å; E28-V59 HydrophobicContact CG-CG1 3.73Å; S55-V59 PolarHBondContact O-N 3Å; A56-V59 PolarHBondContact O-N 3.49Å; V59-A61 PolarHBondContact O-N 3.07Å; V59-A62 PolarHBondContact O-N 2.73Å; V59-R63 HydrophobicContact CG1-CG 4.38Å; V59-R63 WeakPolarHBondContact O-CB 3.46Å; V59-R63 WeakPolarHBondContact O-CG 3.26Å; V59-R63 PolarHBondContact O-N 2.72Å |
| 60 | A | 94.6 | Very high | 91 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.6 | -42.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V27 A56 R63 G64 L65 C68 L69 M72 | V27-A60 HydrophobicContact CG1-CB 3.67Å; A56-A60 PolarHBondContact O-N 3.48Å; A60-R63 PolarHBondContact O-N 2.92Å; A60-G64 PolarHBondContact O-N 2.92Å; A60-L65 HydrophobicContact CB-CB 4.3Å; A60-L65 PolarHBondContact O-N 2.93Å; A60-C68 HydrophobicContact CB-CB 4.37Å; A60-L69 HydrophobicContact CB-CB 4.04Å; A60-M72 HydrophobicContact CB-CE 3.41Å; A60-M72 VanDerWaalsContact CB-CE 3.41Å |
| 61 | A | 94.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.3 | -37 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L57 H58 V59 L69 P89 A93 H98 | L57-A61 VanDerWaalsContact O-CB 3.31Å; L57-A61 WeakPolarHBondContact O-CB 3.45Å; L57-A61 PolarHBondContact O-N 3.42Å; H58-A61 PolarHBondContact O-N 3.49Å; V59-A61 PolarHBondContact O-N 3.07Å; A61-L69 HydrophobicContact CB-CD1 3.85Å; A61-P89 HydrophobicContact CB-CB 3.78Å; A61-P89 VanDerWaalsContact CB-O 3.27Å; A61-P89 WeakPolarHBondContact CB-O 3.47Å; A61-A93 HydrophobicContact CB-CB 4.27Å; A61-A93 WeakPolarHBondContact O-CA 3.39Å; A61-H98 PolarHBondContact O-CD2 3.08Å; A61-H98 VanDerWaalsContact O-CD2 3.23Å |
| 62 | A | 94.1 | Very high | 91.8 | Very high | 29 Ų | 29 | 29.1 Ų | 29.1 | 24% | 0.24 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -74.4 | -29.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114 | H58 V59 L92 N96 | H58-A62 VanDerWaalsContact O-CB 3.27Å; H58-A62 WeakPolarHBondContact O-CB 3.5Å; H58-A62 PolarHBondContact O-N 2.6Å; V59-A62 PolarHBondContact O-N 2.73Å; A62-L92 HydrophobicContact CB-CB 4.12Å; A62-L92 HydrophobicContact CB-CD1 4.31Å; A62-N96 PolarHBondContact O-ND2 3.34Å |
| 63 | R | 93.4 | Very high | 92.4 | Very high | 122 Ų | 122 | 24.3 Ų | 24.3 | 46% | 0.46 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -93.7 | -1.2 | 177.6 | -66.2 | -173.8 | -175.1 | -133.4 | -1.7 | 113.6 | E28 V59 A60 L65 | E28-R63 PolarHBondContact O-NH1 3.38Å; E28-R63 IonicContact OE1-CZ 2.61Å; E28-R63 IonicContact OE1-NH2 3.46Å; E28-R63 PolarHBondContact OE1-NH2 3.39Å; V59-R63 HydrophobicContact CG1-CG 4.38Å; V59-R63 WeakPolarHBondContact O-CB 3.46Å; V59-R63 WeakPolarHBondContact O-CG 3.26Å; V59-R63 PolarHBondContact O-N 2.72Å; A60-R63 PolarHBondContact O-N 2.92Å; R63-L65 VanDerWaalsContact C-N 3.34Å; R63-L65 HydrophobicContact CB-CD1 3.76Å; R63-L65 HydrophobicContact CB-CG 3.81Å; R63-L65 PolarHBondContact O-N 3.37Å |
| 64 | G | 93.8 | Very high | 92.5 | Very high | 18 Ų | 18 | 27.9 Ų | 27.9 | 19% | 0.186 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 21.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115 | A60 T66 H98 C101 | A60-G64 PolarHBondContact O-N 2.92Å; G64-T66 VanDerWaalsContact C-N 3.28Å; G64-T66 PolarHBondContact O-N 2.97Å; G64-T66 PolarHBondContact O-OG1 3.4Å; G64-H98 VanDerWaalsContact CA-CD2 3.49Å; G64-H98 WeakPolarHBondContact CA-CD2 3.49Å; G64-H98 WeakPolarHBondContact CA-ND1 3.38Å; G64-H98 PolarHBondContact N-CD2 2.89Å; G64-H98 VanDerWaalsContact N-CD2 3.32Å; G64-C101 VanDerWaalsContact C-SG 3.59Å |
| 65 | L | 95 | Very high | 92.5 | Very high | 45 Ų | 45 | 28.2 Ų | 28.2 | 24% | 0.236 | 16% | 0.162 | C | C | . | . | trans | -84.3 | 68.4 | -170.5 | -62.8 | 171.2 | 0 | 0 | 0 | 111.5 | V27 A60 R63 E67 C68 L69 | V27-L65 HydrophobicContact CG1-CD1 4.38Å; V27-L65 WeakPolarHBondContact O-CD1 3.43Å; A60-L65 HydrophobicContact CB-CB 4.3Å; A60-L65 PolarHBondContact O-N 2.93Å; R63-L65 VanDerWaalsContact C-N 3.34Å; R63-L65 HydrophobicContact CB-CD1 3.76Å; R63-L65 HydrophobicContact CB-CG 3.81Å; R63-L65 PolarHBondContact O-N 3.37Å; L65-E67 VanDerWaalsContact C-N 3.25Å; L65-E67 PolarHBondContact O-N 3.44Å; L65-E67 VanDerWaalsContact O-N 3.11Å; L65-C68 HydrophobicContact CB-CB 4Å; L65-C68 PolarHBondContact O-N 3.19Å; L65-L69 WeakPolarHBondContact O-CB 3.26Å; L65-L69 PolarHBondContact O-N 3.45Å | ||
| 66 | T | 93.9 | Very high | 92 | Very high | 31 Ų | 31 | 31.2 Ų | 31.2 | 19% | 0.19 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -48.4 | -40.4 | -172.7 | -53.3 | 0 | 0 | 0 | 0 | 113.7 | G64 A70 E100 R104 | G64-T66 VanDerWaalsContact C-N 3.28Å; G64-T66 PolarHBondContact O-N 2.97Å; G64-T66 PolarHBondContact O-OG1 3.4Å; T66-A70 VanDerWaalsContact O-CB 3.26Å; T66-A70 WeakPolarHBondContact O-CB 3.32Å; T66-A70 PolarHBondContact O-N 2.71Å; T66-E100 HydrophobicContact CG2-CB 4.02Å; T66-R104 HydrophobicContact CG2-CG 3.94Å |
| 67 | E | 93.3 | Very high | 91.7 | Very high | 99 Ų | 99 | 31.6 Ų | 31.6 | 46% | 0.463 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -82.1 | -31.5 | -178.6 | -61.8 | -49.3 | 124.1 | 0 | 0 | 113.9 | V32 L65 L69 A70 A71 R104 | V32-E67 HydrophobicContact CG1-CB 4.45Å; V32-E67 HydrophobicContact CG2-CB 3.96Å; L65-E67 VanDerWaalsContact C-N 3.25Å; L65-E67 PolarHBondContact O-N 3.44Å; L65-E67 VanDerWaalsContact O-N 3.11Å; E67-L69 VanDerWaalsContact C-N 3.32Å; E67-A70 PolarHBondContact O-N 2.88Å; E67-A71 WeakPolarHBondContact O-CB 3.49Å; E67-A71 PolarHBondContact O-N 3.16Å; E67-R104 IonicContact OE1-CZ 3.62Å; E67-R104 IonicContact OE1-NH1 3.64Å; E67-R104 PolarHBondContact OE1-NH1 3.09Å; E67-R104 IonicContact OE1-NH2 2.73Å; E67-R104 PolarHBondContact OE1-NH2 3.42Å; E67-R104 IonicContact OE2-NH2 3.57Å; E67-R104 PolarHBondContact OE2-NH2 2.89Å |
| 68 | C | 92.8 | Very high | 91.3 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.014 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.1 | -40.6 | 167.4 | -73.3 | 0 | 0 | 0 | 0 | 110.9 | A60 L65 M72 | A60-C68 HydrophobicContact CB-CB 4.37Å; L65-C68 HydrophobicContact CB-CB 4Å; L65-C68 PolarHBondContact O-N 3.19Å; C68-M72 WeakPolarHBondContact O-CE 3.37Å; C68-M72 WeakPolarHBondContact O-CG 3.16Å; C68-M72 PolarHBondContact O-N 3.41Å; C68-M72 VanDerWaalsContact O-N 3.08Å |
| 69 | L | 93.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.3 | -48.5 | 174.7 | -178.7 | 135.2 | 0 | 0 | 0 | 110.6 | L57 A60 A61 L65 E67 A71 M72 L73 C101 R104 L105 | L57-L69 HydrophobicContact CD1-CD1 4.04Å; L57-L69 HydrophobicContact CD1-CG 3.94Å; A60-L69 HydrophobicContact CB-CB 4.04Å; A61-L69 HydrophobicContact CB-CD1 3.85Å; L65-L69 WeakPolarHBondContact O-CB 3.26Å; L65-L69 PolarHBondContact O-N 3.45Å; E67-L69 VanDerWaalsContact C-N 3.32Å; L69-A71 PolarHBondContact O-N 3.27Å; L69-M72 PolarHBondContact O-N 2.87Å; L69-M72 VanDerWaalsContact O-N 3.14Å; L69-L73 HydrophobicContact CD2-CD1 3.61Å; L69-L73 HydrophobicContact CD2-CG 4.38Å; L69-L73 HydrophobicContact CG-CD1 4.31Å; L69-L73 VanDerWaalsContact O-CG 3.31Å; L69-L73 WeakPolarHBondContact O-CG 3.49Å; L69-L73 PolarHBondContact O-N 2.88Å; L69-C101 HydrophobicContact CD1-CB 4.22Å; L69-R104 HydrophobicContact CD2-CB 3.87Å; L69-L105 HydrophobicContact CD1-CD1 4.26Å; L69-L105 HydrophobicContact CD1-CD2 4.15Å; L69-L105 HydrophobicContact CD1-CG 4.13Å; L69-L105 HydrophobicContact CD2-CD2 4.46Å; L69-L105 HydrophobicContact CD2-CG 4.25Å |
| 70 | A | 92.1 | Very high | 90.5 | Very high | 15 Ų | 15 | 39 Ų | 39 | 12% | 0.124 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.6 | -41.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | T66 E67 L73 A74 | T66-A70 VanDerWaalsContact O-CB 3.26Å; T66-A70 WeakPolarHBondContact O-CB 3.32Å; T66-A70 PolarHBondContact O-N 2.71Å; E67-A70 PolarHBondContact O-N 2.88Å; A70-L73 PolarHBondContact O-N 3.49Å; A70-A74 WeakPolarHBondContact O-CB 3.34Å; A70-A74 PolarHBondContact O-N 3.03Å |
| 71 | A | 91.3 | Very high | 90.2 | Very high | 11 Ų | 11 | 40 Ų | 40 | 9% | 0.091 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.3 | -45.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | V35 V36 E67 L69 A74 H75 | V35-A71 HydrophobicContact CG1-CB 4.22Å; V36-A71 HydrophobicContact CG2-CB 3.59Å; E67-A71 WeakPolarHBondContact O-CB 3.49Å; E67-A71 PolarHBondContact O-N 3.16Å; L69-A71 PolarHBondContact O-N 3.27Å; A71-A74 PolarHBondContact O-N 3.03Å; A71-H75 PolarHBondContact O-CD2 2.99Å; A71-H75 PolarHBondContact O-N 2.95Å; A71-H75 VanDerWaalsContact O-N 3.07Å |
| 72 | M | 91.3 | Very high | 90 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.8 | -40.1 | 176.3 | -75 | -175.3 | -71.6 | 0 | 0 | 112.6 | V27 V35 L39 A46 A56 L57 A60 C68 L69 H75 G76 A77 | V27-M72 HydrophobicContact CG1-CE 4.41Å; V27-M72 HydrophobicContact CG2-CE 3.77Å; V27-M72 HydrophobicContact CG2-SD 4.01Å; V35-M72 HydrophobicContact CG1-CG 4.01Å; L39-M72 HydrophobicContact CD1-CG 3.8Å; A46-M72 HydrophobicContact CB-CB 4.06Å; A46-M72 HydrophobicContact CB-CG 3.75Å; A46-M72 HydrophobicContact CB-SD 3.55Å; A46-M72 VanDerWaalsContact CB-SD 3.55Å; A56-M72 HydrophobicContact CB-SD 3.71Å; A56-M72 WeakPolarHBondContact O-CE 3.49Å; L57-M72 HydrophobicContact CB-SD 4.48Å; L57-M72 HydrophobicContact CD1-CB 4.21Å; L57-M72 HydrophobicContact CD1-CE 4.22Å; A60-M72 HydrophobicContact CB-CE 3.41Å; A60-M72 VanDerWaalsContact CB-CE 3.41Å; C68-M72 WeakPolarHBondContact O-CE 3.37Å; C68-M72 WeakPolarHBondContact O-CG 3.16Å; C68-M72 PolarHBondContact O-N 3.41Å; C68-M72 VanDerWaalsContact O-N 3.08Å; L69-M72 PolarHBondContact O-N 2.87Å; L69-M72 VanDerWaalsContact O-N 3.14Å; M72-H75 CarbonylContact O-C 3.55Å; M72-H75 PolarHBondContact O-N 3.48Å; M72-G76 PolarHBondContact O-N 2.95Å; M72-A77 HydrophobicContact CB-CB 4.06Å; M72-A77 WeakPolarHBondContact O-CB 3.36Å; M72-A77 PolarHBondContact O-N 3.26Å |
| 73 | L | 90 | Very high | 89.8 | Confident | 30 Ų | 30 | 42.3 Ų | 42.3 | 16% | 0.157 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 175.5 | -64.7 | 177.2 | 0 | 0 | 0 | 112.2 | L57 L69 A70 H75 G76 L79 R104 L105 | L57-L73 HydrophobicContact CD1-CD2 4.33Å; L69-L73 HydrophobicContact CD2-CD1 3.61Å; L69-L73 HydrophobicContact CD2-CG 4.38Å; L69-L73 HydrophobicContact CG-CD1 4.31Å; L69-L73 VanDerWaalsContact O-CG 3.31Å; L69-L73 WeakPolarHBondContact O-CG 3.49Å; L69-L73 PolarHBondContact O-N 2.88Å; A70-L73 PolarHBondContact O-N 3.49Å; L73-H75 PolarHBondContact O-N 3.26Å; L73-G76 PolarHBondContact O-N 3.32Å; L73-L79 HydrophobicContact CD2-CD1 4.48Å; L73-L79 HydrophobicContact CD2-CD2 3.42Å; L73-L79 VanDerWaalsContact CD2-CD2 3.42Å; L73-L79 HydrophobicContact CD2-CG 4.11Å; L73-R104 HydrophobicContact CD1-CB 4.39Å; L73-L105 HydrophobicContact CD1-CD2 4.48Å; L73-L105 HydrophobicContact CD2-CD2 4.35Å |
| 74 | A | 88.6 | Confident | 89.5 | Confident | 87 Ų | 87 | 40.3 Ų | 40.3 | 72% | 0.719 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -62.8 | -30.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A70 A71 G76 | A70-A74 WeakPolarHBondContact O-CB 3.34Å; A70-A74 PolarHBondContact O-N 3.03Å; A71-A74 PolarHBondContact O-N 3.03Å; A74-G76 VanDerWaalsContact C-N 3.3Å |
| 75 | H | 86.9 | Confident | 89.1 | Confident | 83 Ų | 83 | 42.8 Ų | 42.8 | 38% | 0.384 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 9.7 | 172.4 | -69.1 | -55.2 | 0 | 0 | 0 | 114.4 | L39 T40 A71 M72 L73 | L39-H75 HydrophobicContact CB-CB 4.18Å; L39-H75 HydrophobicContact CD1-CB 4.17Å; T40-H75 PolarHBondContact OG1-CE1 3.29Å; T40-H75 PolarHBondContact OG1-NE2 3.42Å; A71-H75 PolarHBondContact O-CD2 2.99Å; A71-H75 PolarHBondContact O-N 2.95Å; A71-H75 VanDerWaalsContact O-N 3.07Å; M72-H75 CarbonylContact O-C 3.55Å; M72-H75 PolarHBondContact O-N 3.48Å; L73-H75 PolarHBondContact O-N 3.26Å |
| 76 | G | 82.1 | Confident | 88.8 | Confident | 63 Ų | 63 | 41.5 Ų | 41.5 | 65% | 0.649 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | 33.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | M72 L73 A74 | M72-G76 PolarHBondContact O-N 2.95Å; L73-G76 PolarHBondContact O-N 3.32Å; A74-G76 VanDerWaalsContact C-N 3.3Å |
| 77 | A | 85.3 | Confident | 88.8 | Confident | 11 Ų | 11 | 40.8 Ų | 40.8 | 9% | 0.091 | 27% | 0.27 | C | S | . | . | trans | -57.5 | 136.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A46 L57 M72 L79 | A46-A77 HydrophobicContact CB-CB 3.72Å; L57-A77 HydrophobicContact CD2-CB 4.1Å; M72-A77 HydrophobicContact CB-CB 4.06Å; M72-A77 WeakPolarHBondContact O-CB 3.36Å; M72-A77 PolarHBondContact O-N 3.26Å; A77-L79 PolarHBondContact O-N 3.28Å | ||
| 78 | D | 83.7 | Confident | 88.8 | Confident | 78 Ų | 78 | 36.1 Ų | 36.1 | 42% | 0.417 | 25% | 0.248 | S | C | . | . | trans | -71.7 | 125.9 | 178.5 | -172.4 | -11.5 | 0 | 0 | 0 | 110.9 | A47 S80 V81 | A47-D78 HydrophobicContact CB-CB 3.88Å; D78-S80 WeakPolarHBondContact OD1-CB 3.28Å; D78-S80 PolarHBondContact OD1-N 3.23Å; D78-S80 PolarHBondContact OD1-OG 3.12Å; D78-S80 PolarHBondContact OD2-OG 3.45Å; D78-V81 HydrophobicContact CB-CG2 3.74Å; D78-V81 WeakPolarHBondContact O-CG2 3.44Å | ||
| 79 | L | 85.6 | Confident | 88.8 | Confident | 23 Ų | 23 | 36 Ų | 36 | 12% | 0.12 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -87 | -12.8 | -178.2 | -71.7 | 167.2 | 0 | 0 | 0 | 113.6 | L57 L73 A77 L105 S108 C110 | L57-L79 HydrophobicContact CD2-CD2 4.28Å; L73-L79 HydrophobicContact CD2-CD1 4.48Å; L73-L79 HydrophobicContact CD2-CD2 3.42Å; L73-L79 VanDerWaalsContact CD2-CD2 3.42Å; L73-L79 HydrophobicContact CD2-CG 4.11Å; A77-L79 PolarHBondContact O-N 3.28Å; L79-L105 HydrophobicContact CD2-CD2 3.48Å; L79-L105 VanDerWaalsContact CD2-CD2 3.48Å; L79-S108 VanDerWaalsContact CD1-O 3.23Å; L79-S108 WeakPolarHBondContact CD1-O 3.44Å; L79-S108 VanDerWaalsContact CD1-OG 3.28Å; L79-S108 WeakPolarHBondContact CD1-OG 3.39Å; L79-C110 HydrophobicContact CB-CB 4.22Å; L79-C110 HydrophobicContact CD1-CB 4.1Å; L79-C110 HydrophobicContact CD2-CB 3.94Å; L79-C110 HydrophobicContact CG-CB 4.33Å |
| 80 | S | 84.4 | Confident | 88.8 | Confident | 72 Ų | 72 | 36.1 Ų | 36.1 | 50% | 0.503 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -92.2 | -3 | -178.6 | 69.5 | 0 | 0 | 0 | 0 | 113.7 | D78 | D78-S80 WeakPolarHBondContact OD1-CB 3.28Å; D78-S80 PolarHBondContact OD1-N 3.23Å; D78-S80 PolarHBondContact OD1-OG 3.12Å; D78-S80 PolarHBondContact OD2-OG 3.45Å |
| 81 | V | 87.7 | Confident | 88.9 | Confident | 22 Ų | 22 | 35.4 Ų | 35.4 | 13% | 0.133 | 24% | 0.242 | C | C | . | . | trans | -63.9 | 134 | 175 | -170.3 | 0 | 0 | 0 | 0 | 109.7 | A47 L49 H58 D78 P89 | A47-V81 HydrophobicContact CB-CG2 3.79Å; L49-V81 HydrophobicContact CD2-CG1 3.61Å; H58-V81 PolarHBondContact CE1-O 2.86Å; H58-V81 PolarHBondContact NE2-O 3.44Å; D78-V81 HydrophobicContact CB-CG2 3.74Å; D78-V81 WeakPolarHBondContact O-CG2 3.44Å; V81-P89 WeakPolarHBondContact O-CD 3.36Å | ||
| 82 | T | 90.8 | Very high | 89 | Confident | 62 Ų | 62 | 35.9 Ų | 35.9 | 38% | 0.38 | 24% | 0.243 | S | C | . | . | trans | -112.3 | 149.8 | 170.1 | 54.7 | 0 | 0 | 0 | 0 | 110.5 | F87 T88 | T82-F87 CarbonylContact C-O 3.54Å; T82-F87 VanDerWaalsContact CA-O 3.3Å; T82-F87 WeakPolarHBondContact CA-O 3.46Å; T82-T88 HydrophobicContact CG2-CG2 3.87Å | ||
| 83 | D | 89.6 | Confident | 89.2 | Confident | 14 Ų | 14 | 35.9 Ų | 35.9 | 8% | 0.075 | 24% | 0.243 | C | C | . | . | trans | -74.2 | 178.1 | 168.8 | 75.5 | 13.7 | 0 | 0 | 0 | 113.4 | G53 K54 H58 T85 G86 F87 | G53-D83 WeakPolarHBondContact O-CA 3.47Å; G53-D83 WeakPolarHBondContact O-CB 3.39Å; K54-D83 HydrophobicContact CG-CB 4.35Å; H58-D83 PolarHBondContact NE2-N 3.4Å; D83-T85 PolarHBondContact O-N 3.03Å; D83-T85 VanDerWaalsContact O-N 3.07Å; D83-T85 VanDerWaalsContact OD1-CA 3.28Å; D83-T85 WeakPolarHBondContact OD1-CA 3.34Å; D83-T85 WeakPolarHBondContact OD1-CB 3.32Å; D83-T85 PolarHBondContact OD1-N 3.39Å; D83-T85 PolarHBondContact OD1-OG1 3.06Å; D83-T85 PolarHBondContact OD2-OG1 3.28Å; D83-G86 PolarHBondContact O-N 3.32Å; D83-G86 PolarHBondContact OD1-N 3.34Å; D83-G86 VanDerWaalsContact OD1-N 3.07Å; D83-F87 PolarHBondContact N-O 2.9Å; D83-F87 PolarHBondContact OD1-N 2.97Å | ||
| 84 | A | 86.8 | Confident | 89.5 | Confident | 81 Ų | 81 | 34.4 Ų | 34.4 | 67% | 0.669 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59 | -17.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | G53 | G53-A84 PolarHBondContact O-N 3.11Š|
| 85 | T | 85.8 | Confident | 89.7 | Confident | 70 Ų | 70 | 35.2 Ų | 35.2 | 43% | 0.429 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 4.2 | 174.1 | 44 | 0 | 0 | 0 | 0 | 113.6 | D83 F87 S117 | D83-T85 PolarHBondContact O-N 3.03Å; D83-T85 VanDerWaalsContact O-N 3.07Å; D83-T85 VanDerWaalsContact OD1-CA 3.28Å; D83-T85 WeakPolarHBondContact OD1-CA 3.34Å; D83-T85 WeakPolarHBondContact OD1-CB 3.32Å; D83-T85 PolarHBondContact OD1-N 3.39Å; D83-T85 PolarHBondContact OD1-OG1 3.06Å; D83-T85 PolarHBondContact OD2-OG1 3.28Å; T85-F87 WeakPolarHBondContact OG1-CD2 3.44Å; T85-S117 VanDerWaalsContact O-CB 3.25Å; T85-S117 WeakPolarHBondContact O-CB 3.31Å; T85-S117 PolarHBondContact O-N 3.17Å; T85-S117 PolarHBondContact O-OG 2.91Å |
| 86 | G | 89.8 | Confident | 90 | Very high | 17 Ų | 17 | 34.4 Ų | 34.4 | 18% | 0.175 | 22% | 0.221 | C | C | . | . | S | Bend | trans | 84 | 3.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | D83 | D83-G86 PolarHBondContact O-N 3.32Å; D83-G86 PolarHBondContact OD1-N 3.34Å; D83-G86 VanDerWaalsContact OD1-N 3.07Å |
| 87 | F | 92.8 | Very high | 90.6 | Very high | 17 Ų | 17 | 35.4 Ų | 35.4 | 8% | 0.075 | 21% | 0.212 | C | C | . | . | trans | -72.6 | 131 | 177.8 | -73.7 | -114.3 | 0 | 0 | 0 | 109.1 | H58 T82 D83 T85 H91 L92 K95 D116 H125 | H58-F87 PolarHBondContact CD2-O 3.25Å; H58-F87 PolarHBondContact NE2-O 2.96Å; T82-F87 CarbonylContact C-O 3.54Å; T82-F87 VanDerWaalsContact CA-O 3.3Å; T82-F87 WeakPolarHBondContact CA-O 3.46Å; D83-F87 PolarHBondContact N-O 2.9Å; D83-F87 PolarHBondContact OD1-N 2.97Å; T85-F87 WeakPolarHBondContact OG1-CD2 3.44Å; F87-H91 HydrophobicContact CB-CB 4.04Å; F87-H91 HydrophobicContact CD1-CB 3.56Å; F87-H91 HydrophobicContact CE1-CB 4.4Å; F87-H91 HydrophobicContact CG-CB 4.16Å; F87-L92 HydrophobicContact CB-CD2 4.06Å; F87-L92 HydrophobicContact CB-CG 4.12Å; F87-L92 HydrophobicContact CD1-CD2 3.74Å; F87-L92 HydrophobicContact CD1-CG 4.38Å; F87-L92 HydrophobicContact CG-CD2 4.11Å; F87-K95 HydrophobicContact CE1-CD 4.06Å; F87-D116 HydrophobicContact CD2-CB 4.2Å; F87-D116 HydrophobicContact CE2-CB 4.27Å; F87-H125 AromaticContact CE1-CE1 3.31Å; F87-H125 WeakPolarHBondContact CE1-CE1 3.38Å; F87-H125 AromaticContact CE1-ND1 3.82Å; F87-H125 AromaticContact CE1-NE2 3.54Å; F87-H125 AromaticContact CZ-CE1 3.44Å; F87-H125 VanDerWaalsContact CZ-CE1 3.44Å; F87-H125 WeakPolarHBondContact CZ-CE1 3.29Å; F87-H125 AromaticContact CZ-NE2 3.83Å | ||
| 88 | T | 93 | Very high | 91.1 | Very high | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.006 | 22% | 0.224 | C | C | . | . | trans | -81.6 | 166.7 | 162.8 | 74.2 | 0 | 0 | 0 | 0 | 110 | T82 L90 H91 L92 P114 | T82-T88 HydrophobicContact CG2-CG2 3.87Å; T88-L90 PolarHBondContact O-N 2.86Å; T88-L90 VanDerWaalsContact O-N 3.12Å; T88-L90 PolarHBondContact OG1-N 3.27Å; T88-H91 PolarHBondContact N-ND1 3.18Å; T88-H91 WeakPolarHBondContact O-CB 3.42Å; T88-H91 PolarHBondContact O-N 3.47Å; T88-H91 PolarHBondContact OG1-ND1 3.37Å; T88-L92 PolarHBondContact O-N 2.91Å; T88-P114 HydrophobicContact CG2-CB 4.06Å; T88-P114 HydrophobicContact CG2-CG 4.39Å | ||
| 89 | P | 93.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -54 | -33.2 | 173.5 | -27.4 | 36.5 | 0 | 0 | 0 | 113.1 | L57 H58 A61 V81 H91 L92 A93 L105 | L57-P89 HydrophobicContact CB-CG 4.35Å; L57-P89 HydrophobicContact CD2-CB 4.44Å; L57-P89 HydrophobicContact CD2-CG 3.84Å; L57-P89 HydrophobicContact CG-CB 4.09Å; L57-P89 HydrophobicContact CG-CG 3.78Å; H58-P89 WeakPolarHBondContact NE2-CD 3.37Å; A61-P89 HydrophobicContact CB-CB 3.78Å; A61-P89 VanDerWaalsContact CB-O 3.27Å; A61-P89 WeakPolarHBondContact CB-O 3.47Å; V81-P89 WeakPolarHBondContact O-CD 3.36Å; P89-H91 PolarHBondContact O-N 3.48Å; P89-L92 PolarHBondContact O-N 3.18Å; P89-A93 PolarHBondContact O-N 3.04Å; P89-L105 HydrophobicContact CB-CD1 4.14Å; P89-L105 HydrophobicContact CB-CD2 4.21Å |
| 90 | L | 94.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.2 | -33 | 177.1 | -172.1 | 61.4 | 0 | 0 | 0 | 112.6 | T88 A94 C102 L105 I106 V112 A122 L138 | T88-L90 PolarHBondContact O-N 2.86Å; T88-L90 VanDerWaalsContact O-N 3.12Å; T88-L90 PolarHBondContact OG1-N 3.27Å; L90-A94 WeakPolarHBondContact O-CB 3.26Å; L90-A94 PolarHBondContact O-N 2.92Å; L90-C102 HydrophobicContact CD1-CB 3.98Å; L90-L105 HydrophobicContact CB-CD1 4.15Å; L90-L105 HydrophobicContact CD1-CB 4.19Å; L90-L105 HydrophobicContact CD1-CD1 4.1Å; L90-I106 HydrophobicContact CD1-CD1 4.45Å; L90-I106 HydrophobicContact CD1-CG1 4.41Å; L90-I106 HydrophobicContact CD2-CG1 4.49Å; L90-V112 HydrophobicContact CD2-CB 4.24Å; L90-V112 HydrophobicContact CD2-CG1 3.94Å; L90-V112 HydrophobicContact CD2-CG2 4.07Å; L90-A122 HydrophobicContact CD2-CB 4.3Å; L90-A122 HydrophobicContact CG-CB 3.97Å; L90-L138 HydrophobicContact CD2-CD2 4.38Å |
| 91 | H | 94.2 | Very high | 92.6 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.3 | -41.6 | 173.4 | -67.1 | 65.9 | 0 | 0 | 0 | 111 | F87 T88 P89 A94 K95 P114 R120 T121 A122 H125 | F87-H91 HydrophobicContact CB-CB 4.04Å; F87-H91 HydrophobicContact CD1-CB 3.56Å; F87-H91 HydrophobicContact CE1-CB 4.4Å; F87-H91 HydrophobicContact CG-CB 4.16Å; T88-H91 PolarHBondContact N-ND1 3.18Å; T88-H91 WeakPolarHBondContact O-CB 3.42Å; T88-H91 PolarHBondContact O-N 3.47Å; T88-H91 PolarHBondContact OG1-ND1 3.37Å; P89-H91 PolarHBondContact O-N 3.48Å; H91-A94 PolarHBondContact O-N 2.87Å; H91-K95 WeakPolarHBondContact O-CB 3.44Å; H91-K95 PolarHBondContact O-N 2.95Å; H91-P114 PolarHBondContact CE1-O 3.48Å; H91-P114 PolarHBondContact NE2-O 2.83Å; H91-R120 PolarHBondContact CD2-O 2.91Å; H91-R120 PolarHBondContact NE2-O 2.74Å; H91-R120 VanDerWaalsContact NE2-O 3.15Å; H91-T121 WeakPolarHBondContact NE2-CA 3.41Å; H91-A122 PolarHBondContact NE2-N 3.47Å; H91-H125 AromaticContact CD2-CD2 3.68Å; H91-H125 AromaticContact CD2-NE2 3.96Å |
| 92 | L | 94 | Very high | 92.9 | Very high | 20 Ų | 20 | 34.3 Ų | 34.3 | 11% | 0.105 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -69.3 | -42.9 | -179.9 | -62.7 | 174.4 | 0 | 0 | 0 | 112 | H58 A62 F87 T88 P89 K95 N96 | H58-L92 HydrophobicContact CB-CD1 3.63Å; A62-L92 HydrophobicContact CB-CB 4.12Å; A62-L92 HydrophobicContact CB-CD1 4.31Å; F87-L92 HydrophobicContact CB-CD2 4.06Å; F87-L92 HydrophobicContact CB-CG 4.12Å; F87-L92 HydrophobicContact CD1-CD2 3.74Å; F87-L92 HydrophobicContact CD1-CG 4.38Å; F87-L92 HydrophobicContact CG-CD2 4.11Å; T88-L92 PolarHBondContact O-N 2.91Å; P89-L92 PolarHBondContact O-N 3.18Å; L92-K95 PolarHBondContact O-N 2.93Å; L92-N96 WeakPolarHBondContact O-CB 3.46Å; L92-N96 PolarHBondContact O-N 2.58Å |
| 93 | A | 95.1 | Very high | 93 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.4 | -43.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | A61 P89 N96 N97 H98 C101 C102 L105 | A61-A93 HydrophobicContact CB-CB 4.27Å; A61-A93 WeakPolarHBondContact O-CA 3.39Å; P89-A93 PolarHBondContact O-N 3.04Å; A93-N96 PolarHBondContact O-N 3.28Å; A93-N97 PolarHBondContact O-N 2.94Å; A93-H98 HydrophobicContact CB-CB 4.25Å; A93-H98 PolarHBondContact O-N 3.2Å; A93-C101 HydrophobicContact CB-CB 3.84Å; A93-C102 VanDerWaalsContact CB-SG 3.53Å; A93-L105 HydrophobicContact CB-CD1 4.28Å |
| 94 | A | 94.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.9 | -35.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L90 H91 A122 A126 N131 I134 | L90-A94 WeakPolarHBondContact O-CB 3.26Å; L90-A94 PolarHBondContact O-N 2.92Å; H91-A94 PolarHBondContact O-N 2.87Å; A94-A122 HydrophobicContact CB-CB 4.1Å; A94-A126 HydrophobicContact CB-CB 4.29Å; A94-N131 PolarHBondContact O-ND2 2.91Å; A94-I134 HydrophobicContact CB-CG2 4.03Å |
| 95 | K | 94 | Very high | 93.4 | Very high | 103 Ų | 103 | 34.9 Ų | 34.9 | 45% | 0.448 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -67.4 | -42.7 | 175.1 | -177 | -179.4 | 174.4 | -174.6 | 0 | 112.3 | F87 H91 L92 N97 H125 | F87-K95 HydrophobicContact CE1-CD 4.06Å; H91-K95 WeakPolarHBondContact O-CB 3.44Å; H91-K95 PolarHBondContact O-N 2.95Å; L92-K95 PolarHBondContact O-N 2.93Å; K95-N97 VanDerWaalsContact C-N 3.34Å; K95-N97 PolarHBondContact O-N 2.83Å; K95-H125 HydrophobicContact CB-CB 3.98Å |
| 96 | N | 93.4 | Very high | 93.6 | Very high | 67 Ų | 67 | 32.8 Ų | 32.8 | 36% | 0.358 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94 | 16.2 | -173.9 | -63.9 | 4.6 | 0 | 0 | 0 | 113.4 | A62 L92 A93 H98 | A62-N96 PolarHBondContact O-ND2 3.34Å; L92-N96 WeakPolarHBondContact O-CB 3.46Å; L92-N96 PolarHBondContact O-N 2.58Å; A93-N96 PolarHBondContact O-N 3.28Å; N96-H98 VanDerWaalsContact C-N 3.3Å; N96-H98 VanDerWaalsContact CB-CD2 3.48Å; N96-H98 WeakPolarHBondContact CB-CD2 3.4Å; N96-H98 PolarHBondContact O-N 2.95Å |
| 97 | N | 94.4 | Very high | 93.6 | Very high | 84 Ų | 84 | 38.4 Ų | 38.4 | 45% | 0.449 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | 29.5 | 179.8 | -157.9 | 21.2 | 0 | 0 | 0 | 115.8 | A93 K95 L99 N131 | A93-N97 PolarHBondContact O-N 2.94Å; K95-N97 VanDerWaalsContact C-N 3.34Å; K95-N97 PolarHBondContact O-N 2.83Å; N97-L99 PolarHBondContact O-N 3.36Å; N97-L99 VanDerWaalsContact O-N 3.08Å; N97-N131 WeakPolarHBondContact CB-OD1 3.41Å; N97-N131 VanDerWaalsContact CG-CG 3.48Å; N97-N131 WeakPolarHBondContact OD1-CB 3.47Å; N97-N131 VanDerWaalsContact OD1-CG 3.29Å; N97-N131 PolarHBondContact OD1-OD1 3.29Å |
| 98 | H | 96.5 | Very high | 93.2 | Very high | 76 Ų | 76 | 39.7 Ų | 39.7 | 35% | 0.352 | 19% | 0.188 | S | C | . | . | trans | -87.6 | 76.1 | -179.9 | -61.8 | -47.8 | 0 | 0 | 0 | 111.6 | A61 G64 A93 N96 E100 C101 C102 | A61-H98 PolarHBondContact O-CD2 3.08Å; A61-H98 VanDerWaalsContact O-CD2 3.23Å; G64-H98 VanDerWaalsContact CA-CD2 3.49Å; G64-H98 WeakPolarHBondContact CA-CD2 3.49Å; G64-H98 WeakPolarHBondContact CA-ND1 3.38Å; G64-H98 PolarHBondContact N-CD2 2.89Å; G64-H98 VanDerWaalsContact N-CD2 3.32Å; A93-H98 HydrophobicContact CB-CB 4.25Å; A93-H98 PolarHBondContact O-N 3.2Å; N96-H98 VanDerWaalsContact C-N 3.3Å; N96-H98 VanDerWaalsContact CB-CD2 3.48Å; N96-H98 WeakPolarHBondContact CB-CD2 3.4Å; N96-H98 PolarHBondContact O-N 2.95Å; H98-E100 PolarHBondContact O-N 3.38Å; H98-C101 HydrophobicContact CB-CB 3.93Å; H98-C101 WeakPolarHBondContact O-CB 3.36Å; H98-C101 PolarHBondContact O-N 3.22Å; H98-C102 PolarHBondContact O-N 3.3Å; H98-C102 PolarHBondContact O-SG 3.04Å | ||
| 99 | L | 94.6 | Very high | 92.7 | Very high | 22 Ų | 22 | 48.5 Ų | 48.5 | 12% | 0.115 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -52.5 | -48.8 | -176.8 | -179 | 64.8 | 0 | 0 | 0 | 113.6 | N97 C101 C102 R103 Q133 I134 L137 | N97-L99 PolarHBondContact O-N 3.36Å; N97-L99 VanDerWaalsContact O-N 3.08Å; L99-C101 PolarHBondContact O-N 2.88Å; L99-C102 CarbonylContact O-C 3.51Å; L99-C102 WeakPolarHBondContact O-CA 3.5Å; L99-C102 VanDerWaalsContact O-CB 3.27Å; L99-C102 WeakPolarHBondContact O-CB 3.42Å; L99-C102 PolarHBondContact O-N 3.03Å; L99-R103 VanDerWaalsContact CD2-NH2 3.34Å; L99-R103 PolarHBondContact O-N 2.92Å; L99-Q133 HydrophobicContact CD1-CB 4.09Å; L99-Q133 HydrophobicContact CD2-CB 4.09Å; L99-I134 HydrophobicContact CB-CG1 4.25Å; L99-I134 HydrophobicContact CD1-CG1 3.74Å; L99-L137 HydrophobicContact CD1-CD2 4.06Å |
| 100 | E | 94.7 | Very high | 92.2 | Very high | 84 Ų | 84 | 48.9 Ų | 48.9 | 39% | 0.393 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -71.3 | -31.8 | -177.7 | -64.6 | -49.3 | 123.8 | 0 | 0 | 113 | T66 H98 C102 R103 R104 | T66-E100 HydrophobicContact CG2-CB 4.02Å; H98-E100 PolarHBondContact O-N 3.38Å; E100-C102 VanDerWaalsContact C-N 3.32Å; E100-R103 PolarHBondContact O-N 2.92Å; E100-R103 WeakPolarHBondContact OE1-CD 3.33Å; E100-R103 IonicContact OE1-CZ 2.7Å; E100-R103 IonicContact OE1-NE 3.8Å; E100-R103 PolarHBondContact OE1-NE 3.37Å; E100-R103 IonicContact OE1-NH2 2.82Å; E100-R103 WeakPolarHBondContact OE2-CD 3.35Å; E100-R103 IonicContact OE2-NE 2.86Å; E100-R104 VanDerWaalsContact O-CG 3.3Å; E100-R104 WeakPolarHBondContact O-CG 3.3Å; E100-R104 PolarHBondContact O-N 3.08Å |
| 101 | C | 94.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.2 | -42.6 | 166.1 | -73.5 | 0 | 0 | 0 | 0 | 111 | G64 L69 A93 H98 L99 R104 L105 | G64-C101 VanDerWaalsContact C-SG 3.59Å; L69-C101 HydrophobicContact CD1-CB 4.22Å; A93-C101 HydrophobicContact CB-CB 3.84Å; H98-C101 HydrophobicContact CB-CB 3.93Å; H98-C101 WeakPolarHBondContact O-CB 3.36Å; H98-C101 PolarHBondContact O-N 3.22Å; L99-C101 PolarHBondContact O-N 2.88Å; C101-R104 PolarHBondContact O-N 3.49Å; C101-L105 WeakPolarHBondContact O-CB 3.37Å; C101-L105 WeakPolarHBondContact O-CD1 3.32Å; C101-L105 WeakPolarHBondContact O-CG 3.27Å; C101-L105 PolarHBondContact O-N 2.98Å |
| 102 | C | 93.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.9 | -48.1 | 174.9 | -61 | 0 | 0 | 0 | 0 | 111.3 | L90 A93 H98 L99 E100 R104 L105 I106 L137 | L90-C102 HydrophobicContact CD1-CB 3.98Å; A93-C102 VanDerWaalsContact CB-SG 3.53Å; H98-C102 PolarHBondContact O-N 3.3Å; H98-C102 PolarHBondContact O-SG 3.04Å; L99-C102 CarbonylContact O-C 3.51Å; L99-C102 WeakPolarHBondContact O-CA 3.5Å; L99-C102 VanDerWaalsContact O-CB 3.27Å; L99-C102 WeakPolarHBondContact O-CB 3.42Å; L99-C102 PolarHBondContact O-N 3.03Å; E100-C102 VanDerWaalsContact C-N 3.32Å; C102-R104 PolarHBondContact O-N 2.99Å; C102-L105 PolarHBondContact O-N 3.47Å; C102-I106 WeakPolarHBondContact O-CB 3.37Å; C102-I106 WeakPolarHBondContact O-CD1 3.47Å; C102-I106 VanDerWaalsContact O-CG1 3.3Å; C102-I106 WeakPolarHBondContact O-CG1 3.42Å; C102-I106 PolarHBondContact O-N 3.02Å; C102-L137 HydrophobicContact CB-CD2 4.15Å |
| 103 | R | 93.8 | Very high | 90.5 | Very high | 90 Ų | 90 | 55.7 Ų | 55.7 | 34% | 0.34 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -57.5 | -49.5 | 177.2 | -66.5 | -164.6 | -151.4 | -89 | 7.9 | 112 | L99 E100 I106 Q107 L137 | L99-R103 VanDerWaalsContact CD2-NH2 3.34Å; L99-R103 PolarHBondContact O-N 2.92Å; E100-R103 PolarHBondContact O-N 2.92Å; E100-R103 WeakPolarHBondContact OE1-CD 3.33Å; E100-R103 IonicContact OE1-CZ 2.7Å; E100-R103 IonicContact OE1-NE 3.8Å; E100-R103 PolarHBondContact OE1-NE 3.37Å; E100-R103 IonicContact OE1-NH2 2.82Å; E100-R103 WeakPolarHBondContact OE2-CD 3.35Å; E100-R103 IonicContact OE2-NE 2.86Å; R103-I106 PolarHBondContact O-N 3.34Å; R103-Q107 WeakPolarHBondContact O-CB 3.49Å; R103-Q107 WeakPolarHBondContact O-CG 3.43Å; R103-Q107 PolarHBondContact O-N 2.88Å; R103-L137 HydrophobicContact CG-CD2 3.72Å |
| 104 | R | 92.3 | Very high | 90.1 | Very high | 79 Ų | 79 | 57.6 Ų | 57.6 | 30% | 0.298 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.3 | -38.4 | -178.5 | -62.4 | -71.4 | -94.4 | -77.8 | 1.4 | 111.6 | T66 E67 L69 L73 E100 C101 C102 S108 | T66-R104 HydrophobicContact CG2-CG 3.94Å; E67-R104 IonicContact OE1-CZ 3.62Å; E67-R104 IonicContact OE1-NH1 3.64Å; E67-R104 PolarHBondContact OE1-NH1 3.09Å; E67-R104 IonicContact OE1-NH2 2.73Å; E67-R104 PolarHBondContact OE1-NH2 3.42Å; E67-R104 IonicContact OE2-NH2 3.57Å; E67-R104 PolarHBondContact OE2-NH2 2.89Å; L69-R104 HydrophobicContact CD2-CB 3.87Å; L73-R104 HydrophobicContact CD1-CB 4.39Å; E100-R104 VanDerWaalsContact O-CG 3.3Å; E100-R104 WeakPolarHBondContact O-CG 3.3Å; E100-R104 PolarHBondContact O-N 3.08Å; C101-R104 PolarHBondContact O-N 3.49Å; C102-R104 PolarHBondContact O-N 2.99Å; R104-S108 WeakPolarHBondContact O-CB 3.15Å; R104-S108 PolarHBondContact O-N 3.4Å; R104-S108 PolarHBondContact O-OG 3.14Å |
| 105 | L | 91.6 | Very high | 89.9 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.4 | -48.1 | 172.1 | -72.4 | 168.8 | 0 | 0 | 0 | 111.8 | L69 L73 L79 P89 L90 A93 C101 C102 S108 K109 C110 | L69-L105 HydrophobicContact CD1-CD1 4.26Å; L69-L105 HydrophobicContact CD1-CD2 4.15Å; L69-L105 HydrophobicContact CD1-CG 4.13Å; L69-L105 HydrophobicContact CD2-CD2 4.46Å; L69-L105 HydrophobicContact CD2-CG 4.25Å; L73-L105 HydrophobicContact CD1-CD2 4.48Å; L73-L105 HydrophobicContact CD2-CD2 4.35Å; L79-L105 HydrophobicContact CD2-CD2 3.48Å; L79-L105 VanDerWaalsContact CD2-CD2 3.48Å; P89-L105 HydrophobicContact CB-CD1 4.14Å; P89-L105 HydrophobicContact CB-CD2 4.21Å; L90-L105 HydrophobicContact CB-CD1 4.15Å; L90-L105 HydrophobicContact CD1-CB 4.19Å; L90-L105 HydrophobicContact CD1-CD1 4.1Å; A93-L105 HydrophobicContact CB-CD1 4.28Å; C101-L105 WeakPolarHBondContact O-CB 3.37Å; C101-L105 WeakPolarHBondContact O-CD1 3.32Å; C101-L105 WeakPolarHBondContact O-CG 3.27Å; C101-L105 PolarHBondContact O-N 2.98Å; C102-L105 PolarHBondContact O-N 3.47Å; L105-S108 WeakPolarHBondContact CA-OG 3.42Å; L105-S108 PolarHBondContact O-N 3.07Å; L105-S108 PolarHBondContact O-OG 3.46Å; L105-K109 PolarHBondContact O-N 2.91Å; L105-C110 HydrophobicContact CB-CB 4.12Å; L105-C110 WeakPolarHBondContact O-CB 3.39Å; L105-C110 PolarHBondContact O-N 3.08Å; L105-C110 VanDerWaalsContact O-N 3.09Å |
| 106 | I | 89.9 | Confident | 89.8 | Confident | 26 Ų | 26 | 55.2 Ų | 55.2 | 13% | 0.133 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.8 | -46.6 | 177.8 | -75.1 | 159.1 | 0 | 0 | 0 | 111.3 | L90 C102 R103 S108 K109 L137 L138 L141 | L90-I106 HydrophobicContact CD1-CD1 4.45Å; L90-I106 HydrophobicContact CD1-CG1 4.41Å; L90-I106 HydrophobicContact CD2-CG1 4.49Å; C102-I106 WeakPolarHBondContact O-CB 3.37Å; C102-I106 WeakPolarHBondContact O-CD1 3.47Å; C102-I106 VanDerWaalsContact O-CG1 3.3Å; C102-I106 WeakPolarHBondContact O-CG1 3.42Å; C102-I106 PolarHBondContact O-N 3.02Å; R103-I106 PolarHBondContact O-N 3.34Å; I106-S108 VanDerWaalsContact C-N 3.26Å; I106-S108 PolarHBondContact O-N 2.92Å; I106-K109 WeakPolarHBondContact O-CA 3.32Å; I106-K109 PolarHBondContact O-N 3.27Å; I106-L137 HydrophobicContact CD1-CD1 4.41Å; I106-L137 HydrophobicContact CD1-CD2 3.76Å; I106-L137 HydrophobicContact CD1-CG 3.78Å; I106-L138 HydrophobicContact CD1-CD2 4.21Å; I106-L141 HydrophobicContact CB-CD1 4.34Å; I106-L141 HydrophobicContact CD1-CD1 3.65Å; I106-L141 HydrophobicContact CG1-CD1 3.75Å; I106-L141 HydrophobicContact CG2-CD1 3.61Å; I106-L141 HydrophobicContact CG2-CD2 3.92Å; I106-L141 HydrophobicContact CG2-CG 4.39Å |
| 107 | Q | 89.8 | Confident | 89.7 | Confident | 135 Ų | 135 | 56.4 Ų | 56.4 | 63% | 0.631 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -59 | -36.3 | 175.8 | -73.9 | 168.1 | -2.7 | 0 | 0 | 112.2 | R103 K109 | R103-Q107 WeakPolarHBondContact O-CB 3.49Å; R103-Q107 WeakPolarHBondContact O-CG 3.43Å; R103-Q107 PolarHBondContact O-N 2.88Å; Q107-K109 PolarHBondContact O-N 3.49Å |
| 108 | S | 85.4 | Confident | 89.6 | Confident | 44 Ų | 44 | 53.5 Ų | 53.5 | 31% | 0.308 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | 5.5 | 173.7 | 68.5 | 0 | 0 | 0 | 0 | 114.9 | L79 R104 L105 I106 | L79-S108 VanDerWaalsContact CD1-O 3.23Å; L79-S108 WeakPolarHBondContact CD1-O 3.44Å; L79-S108 VanDerWaalsContact CD1-OG 3.28Å; L79-S108 WeakPolarHBondContact CD1-OG 3.39Å; R104-S108 WeakPolarHBondContact O-CB 3.15Å; R104-S108 PolarHBondContact O-N 3.4Å; R104-S108 PolarHBondContact O-OG 3.14Å; L105-S108 WeakPolarHBondContact CA-OG 3.42Å; L105-S108 PolarHBondContact O-N 3.07Å; L105-S108 PolarHBondContact O-OG 3.46Å; I106-S108 VanDerWaalsContact C-N 3.26Å; I106-S108 PolarHBondContact O-N 2.92Å |
| 109 | K | 81.8 | Confident | 89.4 | Confident | 187 Ų | 187 | 50.8 Ų | 50.8 | 81% | 0.813 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.8 | 39 | -179.9 | -53.4 | 175 | -177.6 | 172.9 | 0 | 113.8 | L105 I106 Q107 | L105-K109 PolarHBondContact O-N 2.91Å; I106-K109 WeakPolarHBondContact O-CA 3.32Å; I106-K109 PolarHBondContact O-N 3.27Å; Q107-K109 PolarHBondContact O-N 3.49Å |
| 110 | C | 83.1 | Confident | 89.4 | Confident | 7 Ų | 7 | 53.2 Ų | 53.2 | 5% | 0.047 | 28% | 0.28 | C | S | . | . | trans | -58.7 | 135.8 | 169.7 | -176.4 | 0 | 0 | 0 | 0 | 110.4 | L79 L105 V112 | L79-C110 HydrophobicContact CB-CB 4.22Å; L79-C110 HydrophobicContact CD1-CB 4.1Å; L79-C110 HydrophobicContact CD2-CB 3.94Å; L79-C110 HydrophobicContact CG-CB 4.33Å; L105-C110 HydrophobicContact CB-CB 4.12Å; L105-C110 WeakPolarHBondContact O-CB 3.39Å; L105-C110 PolarHBondContact O-N 3.08Å; L105-C110 VanDerWaalsContact O-N 3.09Å; C110-V112 WeakPolarHBondContact O-CG2 3.41Å; C110-V112 PolarHBondContact O-N 3.23Å | ||
| 111 | P | 83.1 | Confident | 89.4 | Confident | 53 Ų | 53 | 49.5 Ų | 49.5 | 34% | 0.344 | 26% | 0.263 | S | S | . | . | trans | -66.5 | 123.9 | 173.6 | 28.6 | -34.4 | 0 | 0 | 0 | 109.8 | P114 | P111-P114 VanDerWaalsContact C-CD 3.42Å; P111-P114 HydrophobicContact CB-CG 3.84Å; P111-P114 HydrophobicContact CG-CG 4.02Å; P111-P114 WeakPolarHBondContact O-CD 3.45Å | ||
| 112 | V | 82.9 | Confident | 89.4 | Confident | 20 Ų | 20 | 49.5 Ų | 49.5 | 12% | 0.121 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -92.7 | -30.1 | -172.4 | -169.7 | 0 | 0 | 0 | 0 | 112.7 | L90 C110 L138 L141 T143 | L90-V112 HydrophobicContact CD2-CB 4.24Å; L90-V112 HydrophobicContact CD2-CG1 3.94Å; L90-V112 HydrophobicContact CD2-CG2 4.07Å; C110-V112 WeakPolarHBondContact O-CG2 3.41Å; C110-V112 PolarHBondContact O-N 3.23Å; V112-L138 HydrophobicContact CG1-CD2 3.45Å; V112-L138 VanDerWaalsContact CG1-CD2 3.45Å; V112-L141 HydrophobicContact CG2-CD1 4.09Å; V112-T143 HydrophobicContact CB-CG2 4.01Å; V112-T143 HydrophobicContact CG1-CG2 3.35Å |
| 113 | D | 80.5 | Confident | 89.5 | Confident | 92 Ų | 92 | 49.7 Ų | 49.7 | 49% | 0.492 | 26% | 0.264 | S | S | . | . | trans | -79.9 | -7.9 | -177.8 | -43.3 | -52 | 0 | 0 | 0 | 117.6 | P144 | D113-P144 WeakPolarHBondContact OD1-CD 3.07Š| ||
| 114 | P | 87.2 | Confident | 89.5 | Confident | 41 Ų | 41 | 45.4 Ų | 45.4 | 27% | 0.266 | 25% | 0.248 | S | C | . | . | trans | -54.9 | 145.1 | 171.4 | -25 | 35 | 0 | 0 | 0 | 111.3 | T88 H91 P111 | T88-P114 HydrophobicContact CG2-CB 4.06Å; T88-P114 HydrophobicContact CG2-CG 4.39Å; H91-P114 PolarHBondContact CE1-O 3.48Å; H91-P114 PolarHBondContact NE2-O 2.83Å; P111-P114 VanDerWaalsContact C-CD 3.42Å; P111-P114 HydrophobicContact CB-CG 3.84Å; P111-P114 HydrophobicContact CG-CG 4.02Å; P111-P114 WeakPolarHBondContact O-CD 3.45Å | ||
| 115 | A | 90.6 | Very high | 89.7 | Confident | 44 Ų | 44 | 42 Ų | 42 | 36% | 0.364 | 24% | 0.235 | S | C | . | . | B | Isolated β-bridge | trans | -113.7 | 144.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | R120 T121 | A115-R120 WeakPolarHBondContact CA-O 3.49Å; A115-T121 HydrophobicContact CB-CG2 4.25Å |
| 116 | D | 92.3 | Very high | 89.9 | Confident | 8 Ų | 8 | 42 Ų | 42 | 4% | 0.043 | 24% | 0.235 | C | C | . | . | trans | -69.9 | -179.4 | 175.2 | 71.1 | 19.2 | 0 | 0 | 0 | 112.9 | F87 S118 G119 R120 H125 | F87-D116 HydrophobicContact CD2-CB 4.2Å; F87-D116 HydrophobicContact CE2-CB 4.27Å; D116-S118 VanDerWaalsContact CG-OG 3.23Å; D116-S118 PolarHBondContact O-N 3.41Å; D116-S118 VanDerWaalsContact OD1-C 3.29Å; D116-S118 VanDerWaalsContact OD1-CA 3.25Å; D116-S118 WeakPolarHBondContact OD1-CA 3.14Å; D116-S118 WeakPolarHBondContact OD1-CB 3.5Å; D116-S118 PolarHBondContact OD1-N 3.43Å; D116-S118 PolarHBondContact OD1-OG 3Å; D116-S118 PolarHBondContact OD2-OG 3.44Å; D116-G119 PolarHBondContact O-N 2.87Å; D116-G119 PolarHBondContact OD1-N 3.22Å; D116-G119 VanDerWaalsContact OD1-N 3.16Å; D116-R120 PolarHBondContact N-O 3.15Å; D116-R120 PolarHBondContact OD1-N 2.85Å; D116-R120 IonicContact OD2-NE 2.7Å; D116-R120 IonicContact OD2-NH2 2.65Å; D116-H125 IonicContact OD2-CD2 3.27Å; D116-H125 IonicContact OD2-CE1 3.36Å; D116-H125 PolarHBondContact OD2-CE1 2.87Å; D116-H125 VanDerWaalsContact OD2-CE1 3.31Å; D116-H125 IonicContact OD2-NE2 3.99Å; D116-H125 PolarHBondContact OD2-NE2 3.33Å | ||
| 117 | S | 91.4 | Very high | 90.2 | Very high | 93 Ų | 93 | 40.8 Ų | 40.8 | 65% | 0.65 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -13.6 | 178.2 | 58.2 | 0 | 0 | 0 | 0 | 115.2 | T85 | T85-S117 VanDerWaalsContact O-CB 3.25Å; T85-S117 WeakPolarHBondContact O-CB 3.31Å; T85-S117 PolarHBondContact O-N 3.17Å; T85-S117 PolarHBondContact O-OG 2.91Å |
| 118 | S | 92.3 | Very high | 90.5 | Very high | 23 Ų | 23 | 35.4 Ų | 35.4 | 16% | 0.161 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 10.3 | 173 | 51.4 | 0 | 0 | 0 | 0 | 113.4 | D116 R120 D149 T150 | D116-S118 VanDerWaalsContact CG-OG 3.23Å; D116-S118 PolarHBondContact O-N 3.41Å; D116-S118 VanDerWaalsContact OD1-C 3.29Å; D116-S118 VanDerWaalsContact OD1-CA 3.25Å; D116-S118 WeakPolarHBondContact OD1-CA 3.14Å; D116-S118 WeakPolarHBondContact OD1-CB 3.5Å; D116-S118 PolarHBondContact OD1-N 3.43Å; D116-S118 PolarHBondContact OD1-OG 3Å; D116-S118 PolarHBondContact OD2-OG 3.44Å; S118-R120 PolarHBondContact O-N 2.88Å; S118-R120 VanDerWaalsContact OG-CZ 3.3Å; S118-R120 PolarHBondContact OG-NE 2.91Å; S118-R120 PolarHBondContact OG-NH2 3.04Å; S118-D149 WeakPolarHBondContact O-CB 3.41Å; S118-T150 WeakPolarHBondContact O-CG2 3.5Å; S118-T150 PolarHBondContact O-N 3.12Å; S118-T150 PolarHBondContact O-OG1 2.92Å; S118-T150 VanDerWaalsContact O-OG1 3.12Å |
| 119 | G | 92.7 | Very high | 90.8 | Very high | 19 Ų | 19 | 34.9 Ų | 34.9 | 20% | 0.196 | 21% | 0.209 | C | C | . | . | S | Bend | trans | 76.1 | 5.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | D116 | D116-G119 PolarHBondContact O-N 2.87Å; D116-G119 PolarHBondContact OD1-N 3.22Å; D116-G119 VanDerWaalsContact OD1-N 3.16Å |
| 120 | R | 94.4 | Very high | 91.4 | Very high | 72 Ų | 72 | 26.9 Ų | 26.9 | 27% | 0.272 | 18% | 0.18 | S | C | . | . | trans | -87.4 | 129.9 | -179.5 | -72.2 | 178.7 | -63.9 | 177.8 | -3.5 | 110.6 | H91 A115 D116 S118 H124 D149 | H91-R120 PolarHBondContact CD2-O 2.91Å; H91-R120 PolarHBondContact NE2-O 2.74Å; H91-R120 VanDerWaalsContact NE2-O 3.15Å; A115-R120 WeakPolarHBondContact CA-O 3.49Å; D116-R120 PolarHBondContact N-O 3.15Å; D116-R120 PolarHBondContact OD1-N 2.85Å; D116-R120 IonicContact OD2-NE 2.7Å; D116-R120 IonicContact OD2-NH2 2.65Å; S118-R120 PolarHBondContact O-N 2.88Å; S118-R120 VanDerWaalsContact OG-CZ 3.3Å; S118-R120 PolarHBondContact OG-NE 2.91Å; S118-R120 PolarHBondContact OG-NH2 3.04Å; R120-H124 HydrophobicContact CB-CB 3.69Å; R120-H124 HydrophobicContact CG-CB 3.87Å; R120-D149 HydrophobicContact CG-CB 3.48Å; R120-D149 VanDerWaalsContact CG-CB 3.48Å | ||
| 121 | T | 94.3 | Very high | 92 | Very high | 7 Ų | 7 | 27.2 Ų | 27.2 | 4% | 0.043 | 18% | 0.181 | C | C | . | . | B | Isolated β-bridge | trans | -84.9 | 171.8 | 171.3 | 62.8 | 0 | 0 | 0 | 0 | 111.5 | H91 A115 L123 H124 H125 | H91-T121 WeakPolarHBondContact NE2-CA 3.41Å; A115-T121 HydrophobicContact CB-CG2 4.25Å; T121-L123 PolarHBondContact O-N 3.36Å; T121-L123 VanDerWaalsContact O-N 3.1Å; T121-H124 PolarHBondContact N-ND1 3.02Å; T121-H124 WeakPolarHBondContact O-CB 3.48Å; T121-H124 PolarHBondContact O-N 3.18Å; T121-H124 PolarHBondContact OG1-ND1 3.45Å; T121-H125 PolarHBondContact O-CD2 3.41Å; T121-H125 PolarHBondContact O-N 3.32Å |
| 122 | A | 94.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -52.6 | -33 | 174 | 0 | 0 | 0 | 0 | 0 | 113.5 | L90 H91 A94 H125 A126 L138 | L90-A122 HydrophobicContact CD2-CB 4.3Å; L90-A122 HydrophobicContact CG-CB 3.97Å; H91-A122 PolarHBondContact NE2-N 3.47Å; A94-A122 HydrophobicContact CB-CB 4.1Å; A122-H125 PolarHBondContact O-N 2.91Å; A122-A126 PolarHBondContact O-N 3.38Å; A122-L138 HydrophobicContact CB-CD1 4.3Å |
| 123 | L | 95.4 | Very high | 93.2 | Very high | 4 Ų | 4 | 31.2 Ų | 31.2 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.8 | -34.4 | 176.4 | -175.6 | 63 | 0 | 0 | 0 | 112.8 | T121 A127 V135 L138 I145 P155 L171 | T121-L123 PolarHBondContact O-N 3.36Å; T121-L123 VanDerWaalsContact O-N 3.1Å; L123-A127 WeakPolarHBondContact O-CB 3.31Å; L123-A127 PolarHBondContact O-N 2.92Å; L123-V135 HydrophobicContact CD1-CB 4.39Å; L123-V135 HydrophobicContact CD1-CG1 4.16Å; L123-V135 HydrophobicContact CD1-CG2 4.28Å; L123-L138 HydrophobicContact CB-CD1 4.18Å; L123-L138 HydrophobicContact CD1-CB 3.97Å; L123-L138 HydrophobicContact CD1-CD1 4.18Å; L123-I145 HydrophobicContact CD2-CB 4.4Å; L123-I145 HydrophobicContact CD2-CG1 4.12Å; L123-P155 HydrophobicContact CB-CG 4.47Å; L123-P155 HydrophobicContact CD2-CB 4.43Å; L123-P155 HydrophobicContact CD2-CG 4.01Å; L123-P155 HydrophobicContact CG-CB 4.06Å; L123-P155 HydrophobicContact CG-CG 3.93Å; L123-L171 HydrophobicContact CD1-CD2 4.09Å; L123-L171 HydrophobicContact CD2-CD2 4.41Å; L123-L171 HydrophobicContact CG-CD2 4.43Å |
| 124 | H | 95.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.2 | -40.3 | 174.5 | -70.2 | 72.5 | 0 | 0 | 0 | 111.2 | R120 T121 A127 A128 Q147 L153 L158 | R120-H124 HydrophobicContact CB-CB 3.69Å; R120-H124 HydrophobicContact CG-CB 3.87Å; T121-H124 PolarHBondContact N-ND1 3.02Å; T121-H124 WeakPolarHBondContact O-CB 3.48Å; T121-H124 PolarHBondContact O-N 3.18Å; T121-H124 PolarHBondContact OG1-ND1 3.45Å; H124-A127 PolarHBondContact O-N 2.65Å; H124-A128 WeakPolarHBondContact O-CB 3.48Å; H124-A128 PolarHBondContact O-N 3.14Å; H124-Q147 PolarHBondContact CE1-O 3.41Å; H124-Q147 PolarHBondContact NE2-O 2.93Å; H124-L153 PolarHBondContact NE2-O 3.44Å; H124-L158 HydrophobicContact CB-CD1 3.67Å |
| 125 | H | 95.4 | Very high | 94.3 | Very high | 8 Ų | 8 | 24.9 Ų | 24.9 | 4% | 0.037 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -72.1 | -41.4 | 178 | -68.2 | -75.8 | 0 | 0 | 0 | 112.4 | F87 H91 K95 D116 T121 A122 A127 A128 G129 | F87-H125 AromaticContact CE1-CE1 3.31Å; F87-H125 WeakPolarHBondContact CE1-CE1 3.38Å; F87-H125 AromaticContact CE1-ND1 3.82Å; F87-H125 AromaticContact CE1-NE2 3.54Å; F87-H125 AromaticContact CZ-CE1 3.44Å; F87-H125 VanDerWaalsContact CZ-CE1 3.44Å; F87-H125 WeakPolarHBondContact CZ-CE1 3.29Å; F87-H125 AromaticContact CZ-NE2 3.83Å; H91-H125 AromaticContact CD2-CD2 3.68Å; H91-H125 AromaticContact CD2-NE2 3.96Å; K95-H125 HydrophobicContact CB-CB 3.98Å; D116-H125 IonicContact OD2-CD2 3.27Å; D116-H125 IonicContact OD2-CE1 3.36Å; D116-H125 PolarHBondContact OD2-CE1 2.87Å; D116-H125 VanDerWaalsContact OD2-CE1 3.31Å; D116-H125 IonicContact OD2-NE2 3.99Å; D116-H125 PolarHBondContact OD2-NE2 3.33Å; T121-H125 PolarHBondContact O-CD2 3.41Å; T121-H125 PolarHBondContact O-N 3.32Å; A122-H125 PolarHBondContact O-N 2.91Å; H125-A127 VanDerWaalsContact C-N 3.29Å; H125-A127 PolarHBondContact O-N 3.05Å; H125-A128 PolarHBondContact O-N 3.19Å; H125-G129 PolarHBondContact O-N 3.1Å |
| 126 | A | 95.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.3 | -41.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A94 A122 G129 G130 N131 I134 V135 L138 | A94-A126 HydrophobicContact CB-CB 4.29Å; A122-A126 PolarHBondContact O-N 3.38Å; A126-G129 PolarHBondContact O-N 2.79Å; A126-G130 PolarHBondContact O-N 3.37Å; A126-N131 HydrophobicContact CB-CB 4.39Å; A126-N131 PolarHBondContact O-N 3.37Å; A126-I134 HydrophobicContact CB-CB 4.21Å; A126-I134 HydrophobicContact CB-CG2 3.85Å; A126-V135 HydrophobicContact CB-CG2 3.78Å; A126-L138 HydrophobicContact CB-CD1 4.15Å |
| 127 | A | 96.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -71.8 | -38.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L123 H124 H125 G129 P155 S159 H164 V167 L171 | L123-A127 WeakPolarHBondContact O-CB 3.31Å; L123-A127 PolarHBondContact O-N 2.92Å; H124-A127 PolarHBondContact O-N 2.65Å; H125-A127 VanDerWaalsContact C-N 3.29Å; H125-A127 PolarHBondContact O-N 3.05Å; A127-G129 VanDerWaalsContact C-N 3.32Å; A127-P155 HydrophobicContact CB-CB 3.84Å; A127-P155 WeakPolarHBondContact CB-O 3.49Å; A127-S159 WeakPolarHBondContact O-CA 3.36Å; A127-S159 WeakPolarHBondContact O-CB 3.46Å; A127-H164 PolarHBondContact O-CD2 3.18Å; A127-V167 HydrophobicContact CB-CG1 3.95Å; A127-L171 HydrophobicContact CB-CD1 4.04Å |
| 128 | A | 95.6 | Very high | 94.6 | Very high | 21 Ų | 21 | 22.9 Ų | 22.9 | 17% | 0.174 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -68.1 | -30.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | H124 H125 L158 H164 | H124-A128 WeakPolarHBondContact O-CB 3.48Å; H124-A128 PolarHBondContact O-N 3.14Å; H125-A128 PolarHBondContact O-N 3.19Å; A128-L158 HydrophobicContact CB-CB 4.23Å; A128-H164 PolarHBondContact O-CD2 2.87Å; A128-H164 PolarHBondContact O-NE2 2.86Å |
| 129 | G | 92.9 | Very high | 94.5 | Very high | 33 Ų | 33 | 22.5 Ų | 22.5 | 34% | 0.34 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -81.6 | -11.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | H125 A126 A127 N131 | H125-G129 PolarHBondContact O-N 3.1Å; A126-G129 PolarHBondContact O-N 2.79Å; A127-G129 VanDerWaalsContact C-N 3.32Å; G129-N131 PolarHBondContact O-OD1 3.42Å |
| 130 | G | 94.4 | Very high | 94.3 | Very high | 20 Ų | 20 | 28.8 Ų | 28.8 | 21% | 0.206 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.6 | 13.4 | -176 | 0 | 0 | 0 | 0 | 0 | 114.3 | A126 V132 H164 | A126-G130 PolarHBondContact O-N 3.37Å; G130-V132 VanDerWaalsContact C-N 3.33Å; G130-V132 PolarHBondContact O-N 3.47Å; G130-H164 VanDerWaalsContact CA-CG 3.45Å; G130-H164 PolarHBondContact N-CD2 2.93Å; G130-H164 PolarHBondContact N-NE2 2.92Å |
| 131 | N | 95.6 | Very high | 93.8 | Very high | 13 Ų | 13 | 29 Ų | 29 | 7% | 0.07 | 16% | 0.161 | C | C | . | . | trans | -84.5 | 67.4 | -163.3 | -60.9 | -26.4 | 0 | 0 | 0 | 112.4 | A94 N97 A126 G129 Q133 I134 V135 | A94-N131 PolarHBondContact O-ND2 2.91Å; N97-N131 WeakPolarHBondContact CB-OD1 3.41Å; N97-N131 VanDerWaalsContact CG-CG 3.48Å; N97-N131 WeakPolarHBondContact OD1-CB 3.47Å; N97-N131 VanDerWaalsContact OD1-CG 3.29Å; N97-N131 PolarHBondContact OD1-OD1 3.29Å; A126-N131 HydrophobicContact CB-CB 4.39Å; A126-N131 PolarHBondContact O-N 3.37Å; G129-N131 PolarHBondContact O-OD1 3.42Å; N131-Q133 VanDerWaalsContact C-N 3.3Å; N131-Q133 PolarHBondContact O-N 2.79Å; N131-Q133 VanDerWaalsContact O-N 3.13Å; N131-I134 HydrophobicContact CB-CB 4.14Å; N131-I134 HydrophobicContact CB-CD1 4.08Å; N131-I134 HydrophobicContact CB-CG1 4.26Å; N131-I134 WeakPolarHBondContact O-CA 3.48Å; N131-I134 WeakPolarHBondContact O-CB 3.23Å; N131-I134 PolarHBondContact O-N 3.08Å; N131-V135 PolarHBondContact O-N 2.92Å | ||
| 132 | V | 95.6 | Very high | 92.8 | Very high | 37 Ų | 37 | 38 Ų | 38 | 22% | 0.224 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -45.3 | -46.6 | -173.2 | -175 | 0 | 0 | 0 | 0 | 113.7 | G130 I134 V135 Q136 E166 V167 T170 | G130-V132 VanDerWaalsContact C-N 3.33Å; G130-V132 PolarHBondContact O-N 3.47Å; V132-I134 VanDerWaalsContact C-N 3.33Å; V132-I134 PolarHBondContact O-N 2.96Å; V132-V135 WeakPolarHBondContact O-CB 3.36Å; V132-V135 PolarHBondContact O-N 3.35Å; V132-Q136 WeakPolarHBondContact O-CG 3.36Å; V132-Q136 PolarHBondContact O-N 2.8Å; V132-E166 HydrophobicContact CG2-CB 3.66Å; V132-V167 HydrophobicContact CG2-CG2 3.72Å; V132-T170 HydrophobicContact CG1-CG2 3.9Å |
| 133 | Q | 95.4 | Very high | 92.1 | Very high | 120 Ų | 120 | 38.6 Ų | 38.6 | 56% | 0.561 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -68.6 | -32.1 | -177.1 | -61.6 | 177.1 | 6.4 | 0 | 0 | 112.4 | L99 N131 L137 | L99-Q133 HydrophobicContact CD1-CB 4.09Å; L99-Q133 HydrophobicContact CD2-CB 4.09Å; N131-Q133 VanDerWaalsContact C-N 3.3Å; N131-Q133 PolarHBondContact O-N 2.79Å; N131-Q133 VanDerWaalsContact O-N 3.13Å; Q133-L137 WeakPolarHBondContact O-CB 3.18Å; Q133-L137 PolarHBondContact O-N 3.28Å |
| 134 | I | 95.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -75.8 | -38.1 | 174.2 | -57.7 | -178.8 | 0 | 0 | 0 | 109.9 | A94 L99 A126 N131 V132 L137 L138 | A94-I134 HydrophobicContact CB-CG2 4.03Å; L99-I134 HydrophobicContact CB-CG1 4.25Å; L99-I134 HydrophobicContact CD1-CG1 3.74Å; A126-I134 HydrophobicContact CB-CB 4.21Å; A126-I134 HydrophobicContact CB-CG2 3.85Å; N131-I134 HydrophobicContact CB-CB 4.14Å; N131-I134 HydrophobicContact CB-CD1 4.08Å; N131-I134 HydrophobicContact CB-CG1 4.26Å; N131-I134 WeakPolarHBondContact O-CA 3.48Å; N131-I134 WeakPolarHBondContact O-CB 3.23Å; N131-I134 PolarHBondContact O-N 3.08Å; V132-I134 VanDerWaalsContact C-N 3.33Å; V132-I134 PolarHBondContact O-N 2.96Å; I134-L137 PolarHBondContact O-N 3.43Å; I134-L138 HydrophobicContact CG2-CD1 3.82Å; I134-L138 HydrophobicContact CG2-CG 4.24Å; I134-L138 WeakPolarHBondContact O-CB 3.4Å; I134-L138 WeakPolarHBondContact O-CG 3.39Å; I134-L138 PolarHBondContact O-N 2.91Å |
| 135 | V | 95.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.2 | -47.9 | 174 | 168 | 0 | 0 | 0 | 0 | 111.1 | L123 A126 N131 V132 L138 C139 V167 L171 | L123-V135 HydrophobicContact CD1-CB 4.39Å; L123-V135 HydrophobicContact CD1-CG1 4.16Å; L123-V135 HydrophobicContact CD1-CG2 4.28Å; A126-V135 HydrophobicContact CB-CG2 3.78Å; N131-V135 PolarHBondContact O-N 2.92Å; V132-V135 WeakPolarHBondContact O-CB 3.36Å; V132-V135 PolarHBondContact O-N 3.35Å; V135-L138 PolarHBondContact O-N 2.97Å; V135-C139 PolarHBondContact O-N 3.31Å; V135-C139 PolarHBondContact O-SG 3.38Å; V135-V167 HydrophobicContact CG2-CG1 4.09Å; V135-L171 HydrophobicContact CG1-CD2 3.59Å; V135-L171 HydrophobicContact CG1-CG 3.83Å |
| 136 | Q | 94.4 | Very high | 91.3 | Very high | 85 Ų | 85 | 44.1 Ų | 44.1 | 40% | 0.397 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -57.6 | -53.5 | 174.9 | -72.7 | 170.3 | -24.7 | 0 | 0 | 111.5 | V132 L138 C139 E140 T170 | V132-Q136 WeakPolarHBondContact O-CG 3.36Å; V132-Q136 PolarHBondContact O-N 2.8Å; Q136-L138 VanDerWaalsContact C-N 3.26Å; Q136-L138 PolarHBondContact O-N 2.89Å; Q136-C139 PolarHBondContact O-N 3.4Å; Q136-E140 WeakPolarHBondContact O-CG 3.42Å; Q136-E140 PolarHBondContact O-N 3.41Å; Q136-T170 HydrophobicContact CG-CG2 4.35Å |
| 137 | L | 93.3 | Very high | 91.2 | Very high | 19 Ų | 19 | 46.8 Ų | 46.8 | 10% | 0.099 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.3 | -35.7 | 178.4 | 177.9 | 66 | 0 | 0 | 0 | 113.2 | L99 C102 R103 I106 Q133 I134 L141 | L99-L137 HydrophobicContact CD1-CD2 4.06Å; C102-L137 HydrophobicContact CB-CD2 4.15Å; R103-L137 HydrophobicContact CG-CD2 3.72Å; I106-L137 HydrophobicContact CD1-CD1 4.41Å; I106-L137 HydrophobicContact CD1-CD2 3.76Å; I106-L137 HydrophobicContact CD1-CG 3.78Å; Q133-L137 WeakPolarHBondContact O-CB 3.18Å; Q133-L137 PolarHBondContact O-N 3.28Å; I134-L137 PolarHBondContact O-N 3.43Å; L137-L141 WeakPolarHBondContact O-CD1 3.33Å; L137-L141 WeakPolarHBondContact O-CG 3.37Å |
| 138 | L | 92.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -77.9 | -32.3 | 177.1 | -70.4 | 171.6 | 0 | 0 | 0 | 112.7 | L90 I106 V112 A122 L123 A126 I134 V135 Q136 L141 T143 | L90-L138 HydrophobicContact CD2-CD2 4.38Å; I106-L138 HydrophobicContact CD1-CD2 4.21Å; V112-L138 HydrophobicContact CG1-CD2 3.45Å; V112-L138 VanDerWaalsContact CG1-CD2 3.45Å; A122-L138 HydrophobicContact CB-CD1 4.3Å; L123-L138 HydrophobicContact CB-CD1 4.18Å; L123-L138 HydrophobicContact CD1-CB 3.97Å; L123-L138 HydrophobicContact CD1-CD1 4.18Å; A126-L138 HydrophobicContact CB-CD1 4.15Å; I134-L138 HydrophobicContact CG2-CD1 3.82Å; I134-L138 HydrophobicContact CG2-CG 4.24Å; I134-L138 WeakPolarHBondContact O-CB 3.4Å; I134-L138 WeakPolarHBondContact O-CG 3.39Å; I134-L138 PolarHBondContact O-N 2.91Å; V135-L138 PolarHBondContact O-N 2.97Å; Q136-L138 VanDerWaalsContact C-N 3.26Å; Q136-L138 PolarHBondContact O-N 2.89Å; L138-L141 PolarHBondContact O-N 3.4Å; L138-T143 WeakPolarHBondContact O-CG2 3.43Å; L138-T143 PolarHBondContact O-OG1 3.41Å |
| 139 | C | 90.6 | Very high | 91 | Very high | 15 Ų | 15 | 50.8 Ų | 50.8 | 10% | 0.101 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -70.9 | -37.7 | 177.1 | -68.2 | 0 | 0 | 0 | 0 | 112.2 | V135 Q136 L141 K142 I145 C174 | V135-C139 PolarHBondContact O-N 3.31Å; V135-C139 PolarHBondContact O-SG 3.38Å; Q136-C139 PolarHBondContact O-N 3.4Å; C139-L141 PolarHBondContact O-N 3.02Å; C139-L141 VanDerWaalsContact O-N 3.1Å; C139-K142 PolarHBondContact O-N 3.32Å; C139-K142 VanDerWaalsContact O-N 3.1Å; C139-I145 HydrophobicContact CB-CD1 4.26Å; C139-C174 HydrophobicContact CB-CB 3.76Å; C139-C174 WeakPolarHBondContact CB-SG 3.22Å |
| 140 | E | 88.8 | Confident | 91.1 | Very high | 151 Ų | 151 | 53.6 Ų | 53.6 | 71% | 0.706 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -29.2 | 175.1 | -73.9 | 174.4 | -176.1 | 0 | 0 | 113.2 | Q136 K142 | Q136-E140 WeakPolarHBondContact O-CG 3.42Å; Q136-E140 PolarHBondContact O-N 3.41Å; E140-K142 VanDerWaalsContact C-N 3.27Å; E140-K142 PolarHBondContact O-N 2.95Å |
| 141 | L | 83.8 | Confident | 91 | Very high | 75 Ų | 75 | 56.6 Ų | 56.6 | 39% | 0.393 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 4.3 | -177.4 | -59.8 | 169.6 | 0 | 0 | 0 | 114.3 | I106 V112 L137 L138 C139 T143 | I106-L141 HydrophobicContact CB-CD1 4.34Å; I106-L141 HydrophobicContact CD1-CD1 3.65Å; I106-L141 HydrophobicContact CG1-CD1 3.75Å; I106-L141 HydrophobicContact CG2-CD1 3.61Å; I106-L141 HydrophobicContact CG2-CD2 3.92Å; I106-L141 HydrophobicContact CG2-CG 4.39Å; V112-L141 HydrophobicContact CG2-CD1 4.09Å; L137-L141 WeakPolarHBondContact O-CD1 3.33Å; L137-L141 WeakPolarHBondContact O-CG 3.37Å; L138-L141 PolarHBondContact O-N 3.4Å; C139-L141 PolarHBondContact O-N 3.02Å; C139-L141 VanDerWaalsContact O-N 3.1Å; L141-T143 VanDerWaalsContact C-N 3.32Å; L141-T143 HydrophobicContact CB-CG2 4.39Å; L141-T143 PolarHBondContact O-N 2.85Å |
| 142 | K | 74.3 | Confident | 91 | Very high | 196 Ų | 196 | 56 Ų | 56 | 85% | 0.852 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61 | 35.1 | -175.9 | -53.2 | -179.5 | -179.7 | 177.6 | 0 | 114.1 | C139 E140 | C139-K142 PolarHBondContact O-N 3.32Å; C139-K142 VanDerWaalsContact O-N 3.1Å; E140-K142 VanDerWaalsContact C-N 3.27Å; E140-K142 PolarHBondContact O-N 2.95Å |
| 143 | T | 79.4 | Confident | 91 | Very high | 14 Ų | 14 | 54.4 Ų | 54.4 | 9% | 0.086 | 27% | 0.272 | C | S | . | . | trans | -60.6 | 157 | 172.3 | 51.3 | 0 | 0 | 0 | 0 | 111.8 | V112 L138 L141 I145 | V112-T143 HydrophobicContact CB-CG2 4.01Å; V112-T143 HydrophobicContact CG1-CG2 3.35Å; L138-T143 WeakPolarHBondContact O-CG2 3.43Å; L138-T143 PolarHBondContact O-OG1 3.41Å; L141-T143 VanDerWaalsContact C-N 3.32Å; L141-T143 HydrophobicContact CB-CG2 4.39Å; L141-T143 PolarHBondContact O-N 2.85Å; T143-I145 VanDerWaalsContact C-N 3.32Å; T143-I145 PolarHBondContact O-N 3.44Å | ||
| 144 | P | 85.4 | Confident | 91 | Very high | 52 Ų | 52 | 48.8 Ų | 48.8 | 34% | 0.338 | 25% | 0.245 | S | C | . | . | trans | -75.7 | 80.5 | 178.9 | 31.7 | -37 | 0 | 0 | 0 | 111.4 | D113 N146 Q147 | D113-P144 WeakPolarHBondContact OD1-CD 3.07Å; P144-N146 PolarHBondContact O-N 2.91Å; P144-N146 VanDerWaalsContact O-N 3.11Å; P144-Q147 HydrophobicContact CB-CB 4.15Å; P144-Q147 HydrophobicContact CG-CB 4.23Å; P144-Q147 VanDerWaalsContact CG-OE1 3.23Å; P144-Q147 VanDerWaalsContact O-CB 3.27Å; P144-Q147 WeakPolarHBondContact O-CB 3.44Å; P144-Q147 PolarHBondContact O-N 2.93Å | ||
| 145 | I | 91.4 | Very high | 91.1 | Very high | 24 Ų | 24 | 48.8 Ų | 48.8 | 12% | 0.123 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -34.8 | -176.4 | -63.4 | 168.3 | 0 | 0 | 0 | 113 | L123 C139 T143 P155 L171 C174 A176 | L123-I145 HydrophobicContact CD2-CB 4.4Å; L123-I145 HydrophobicContact CD2-CG1 4.12Å; C139-I145 HydrophobicContact CB-CD1 4.26Å; T143-I145 VanDerWaalsContact C-N 3.32Å; T143-I145 PolarHBondContact O-N 3.44Å; I145-P155 VanDerWaalsContact O-CD 3.26Å; I145-P155 WeakPolarHBondContact O-CD 3.19Å; I145-L171 HydrophobicContact CG2-CD2 4.36Å; I145-C174 HydrophobicContact CD1-CB 3.79Å; I145-C174 VanDerWaalsContact CD1-O 3.24Å; I145-C174 WeakPolarHBondContact CD1-O 3.32Å; I145-A176 HydrophobicContact CG2-CB 3.7Å |
| 146 | N | 92.4 | Very high | 91.2 | Very high | 51 Ų | 51 | 48.9 Ų | 48.9 | 27% | 0.273 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 15.1 | -178.7 | -59.4 | -30.6 | 0 | 0 | 0 | 113.8 | P144 A176 E177 | P144-N146 PolarHBondContact O-N 2.91Å; P144-N146 VanDerWaalsContact O-N 3.11Å; N146-A176 VanDerWaalsContact OD1-CA 3.29Å; N146-A176 WeakPolarHBondContact OD1-CA 3.34Å; N146-E177 VanDerWaalsContact ND2-CG 3.29Å; N146-E177 WeakPolarHBondContact ND2-CG 3.48Å; N146-E177 PolarHBondContact ND2-OE1 2.92Å; N146-E177 PolarHBondContact OD1-N 3.38Å |
| 147 | Q | 92.9 | Very high | 91.3 | Very high | 57 Ų | 57 | 44.9 Ų | 44.9 | 27% | 0.266 | 23% | 0.227 | S | C | . | . | trans | -59.4 | 149 | 167.7 | -178.8 | 166.6 | -15 | 0 | 0 | 110.2 | H124 P144 | H124-Q147 PolarHBondContact CE1-O 3.41Å; H124-Q147 PolarHBondContact NE2-O 2.93Å; P144-Q147 HydrophobicContact CB-CB 4.15Å; P144-Q147 HydrophobicContact CG-CB 4.23Å; P144-Q147 VanDerWaalsContact CG-OE1 3.23Å; P144-Q147 VanDerWaalsContact O-CB 3.27Å; P144-Q147 WeakPolarHBondContact O-CB 3.44Å; P144-Q147 PolarHBondContact O-N 2.93Å | ||
| 148 | K | 94.3 | Very high | 91.4 | Very high | 88 Ų | 88 | 44.3 Ų | 44.3 | 38% | 0.383 | 22% | 0.224 | S | C | . | . | trans | -115.4 | 144.5 | 179.1 | -72 | 179.7 | 163.3 | -169.4 | 0 | 111.3 | G152 L153 T154 P181 | K148-G152 VanDerWaalsContact CD-O 3.31Å; K148-G152 WeakPolarHBondContact CD-O 3.29Å; K148-G152 VanDerWaalsContact CE-O 3.3Å; K148-G152 WeakPolarHBondContact CE-O 3.46Å; K148-G152 WeakPolarHBondContact CG-O 3.27Å; K148-L153 WeakPolarHBondContact CA-O 3.4Å; K148-T154 HydrophobicContact CG-CG2 3.78Å; K148-P181 WeakPolarHBondContact CE-O 3.44Å; K148-P181 PolarHBondContact NZ-O 3.27Å | ||
| 149 | D | 94.6 | Very high | 91.6 | Very high | 17 Ų | 17 | 44.3 Ų | 44.3 | 9% | 0.091 | 22% | 0.224 | C | C | . | . | trans | -79.4 | -176.1 | 169.2 | 76 | 10.1 | 0 | 0 | 0 | 112.8 | S118 R120 D151 G152 L153 | S118-D149 WeakPolarHBondContact O-CB 3.41Å; R120-D149 HydrophobicContact CG-CB 3.48Å; R120-D149 VanDerWaalsContact CG-CB 3.48Å; D149-D151 PolarHBondContact O-N 3.14Å; D149-D151 WeakPolarHBondContact OD1-CA 3.48Å; D149-D151 WeakPolarHBondContact OD1-CB 3.5Å; D149-D151 PolarHBondContact OD1-N 3.26Å; D149-G152 WeakPolarHBondContact O-CA 3.44Å; D149-G152 PolarHBondContact O-N 3.05Å; D149-G152 PolarHBondContact OD1-N 2.83Å; D149-G152 VanDerWaalsContact OD1-N 3.13Å; D149-L153 PolarHBondContact N-O 2.8Å; D149-L153 WeakPolarHBondContact OD1-CB 3.4Å; D149-L153 PolarHBondContact OD1-N 3.21Å | ||
| 150 | T | 94.5 | Very high | 91.8 | Very high | 92 Ų | 92 | 43.6 Ų | 43.6 | 56% | 0.564 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -24.5 | -179.8 | 49.5 | 0 | 0 | 0 | 0 | 114.5 | S118 G152 N183 | S118-T150 WeakPolarHBondContact O-CG2 3.5Å; S118-T150 PolarHBondContact O-N 3.12Å; S118-T150 PolarHBondContact O-OG1 2.92Å; S118-T150 VanDerWaalsContact O-OG1 3.12Å; T150-G152 VanDerWaalsContact C-N 3.25Å; T150-N183 PolarHBondContact O-ND2 2.78Å |
| 151 | D | 92.5 | Very high | 92.1 | Very high | 82 Ų | 82 | 40.1 Ų | 40.1 | 44% | 0.439 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -1.9 | 173.7 | -78.5 | -16.1 | 0 | 0 | 0 | 112.1 | D149 L153 N183 | D149-D151 PolarHBondContact O-N 3.14Å; D149-D151 WeakPolarHBondContact OD1-CA 3.48Å; D149-D151 WeakPolarHBondContact OD1-CB 3.5Å; D149-D151 PolarHBondContact OD1-N 3.26Å; D151-L153 VanDerWaalsContact C-N 3.31Å; D151-L153 HydrophobicContact CB-CD1 3.92Å; D151-L153 HydrophobicContact CB-CG 3.93Å; D151-N183 VanDerWaalsContact O-CB 3.24Å; D151-N183 WeakPolarHBondContact O-CB 3.49Å; D151-N183 VanDerWaalsContact O-CG 3.25Å; D151-N183 PolarHBondContact O-N 3.39Å; D151-N183 PolarHBondContact O-ND2 2.77Å |
| 152 | G | 94.6 | Very high | 92.6 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | S | Bend | trans | 81.7 | 9.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | K148 D149 T150 N183 | K148-G152 VanDerWaalsContact CD-O 3.31Å; K148-G152 WeakPolarHBondContact CD-O 3.29Å; K148-G152 VanDerWaalsContact CE-O 3.3Å; K148-G152 WeakPolarHBondContact CE-O 3.46Å; K148-G152 WeakPolarHBondContact CG-O 3.27Å; D149-G152 WeakPolarHBondContact O-CA 3.44Å; D149-G152 PolarHBondContact O-N 3.05Å; D149-G152 PolarHBondContact OD1-N 2.83Å; D149-G152 VanDerWaalsContact OD1-N 3.13Å; T150-G152 VanDerWaalsContact C-N 3.25Å; G152-N183 WeakPolarHBondContact CA-OD1 3.03Å; G152-N183 PolarHBondContact N-ND2 3.04Å |
| 153 | L | 96.1 | Very high | 93.5 | Very high | 4 Ų | 4 | 32.9 Ų | 32.9 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | trans | -81.1 | 135 | -177 | -56.1 | 168 | 0 | 0 | 0 | 110.3 | H124 K148 D149 D151 M157 L158 D182 L191 | H124-L153 PolarHBondContact NE2-O 3.44Å; K148-L153 WeakPolarHBondContact CA-O 3.4Å; D149-L153 PolarHBondContact N-O 2.8Å; D149-L153 WeakPolarHBondContact OD1-CB 3.4Å; D149-L153 PolarHBondContact OD1-N 3.21Å; D151-L153 VanDerWaalsContact C-N 3.31Å; D151-L153 HydrophobicContact CB-CD1 3.92Å; D151-L153 HydrophobicContact CB-CG 3.93Å; L153-M157 HydrophobicContact CB-CB 4.18Å; L153-M157 HydrophobicContact CB-SD 4.39Å; L153-M157 HydrophobicContact CD2-CB 4.05Å; L153-M157 HydrophobicContact CD2-SD 4.09Å; L153-L158 HydrophobicContact CB-CD2 4.3Å; L153-L158 HydrophobicContact CB-CG 4.33Å; L153-L158 HydrophobicContact CD1-CD2 3.84Å; L153-D182 HydrophobicContact CD2-CB 3.73Å; L153-L191 HydrophobicContact CD2-CD1 3.88Å | ||
| 154 | T | 96.4 | Very high | 94.3 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.012 | 19% | 0.186 | C | C | . | . | trans | -89 | 167.5 | 169.4 | 63.8 | 0 | 0 | 0 | 0 | 110.9 | K148 L156 M157 L158 A180 | K148-T154 HydrophobicContact CG-CG2 3.78Å; T154-L156 PolarHBondContact O-N 2.97Å; T154-M157 HydrophobicContact CG2-SD 4.4Å; T154-M157 PolarHBondContact N-SD 3.38Å; T154-M157 VanDerWaalsContact N-SD 3.42Å; T154-M157 WeakPolarHBondContact O-CB 3.38Å; T154-M157 PolarHBondContact O-N 3.44Å; T154-M157 WeakPolarHBondContact OG1-CG 3.33Å; T154-M157 PolarHBondContact OG1-N 2.86Å; T154-L158 PolarHBondContact O-N 2.65Å; T154-A180 HydrophobicContact CG2-CB 4.31Å | ||
| 155 | P | 96.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -52.4 | -39.6 | 170.9 | -27.5 | 35.8 | 0 | 0 | 0 | 113.2 | L123 A127 I145 M157 L158 S159 L171 | L123-P155 HydrophobicContact CB-CG 4.47Å; L123-P155 HydrophobicContact CD2-CB 4.43Å; L123-P155 HydrophobicContact CD2-CG 4.01Å; L123-P155 HydrophobicContact CG-CB 4.06Å; L123-P155 HydrophobicContact CG-CG 3.93Å; A127-P155 HydrophobicContact CB-CB 3.84Å; A127-P155 WeakPolarHBondContact CB-O 3.49Å; I145-P155 VanDerWaalsContact O-CD 3.26Å; I145-P155 WeakPolarHBondContact O-CD 3.19Å; P155-M157 VanDerWaalsContact C-N 3.34Å; P155-M157 PolarHBondContact O-N 2.99Å; P155-L158 PolarHBondContact O-N 2.96Å; P155-S159 PolarHBondContact O-N 3.06Å; P155-S159 PolarHBondContact O-OG 3.27Å; P155-L171 HydrophobicContact CB-CD1 3.97Å; P155-L171 HydrophobicContact CB-CD2 4.27Å |
| 156 | L | 96.9 | Very high | 95 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.6 | -34.4 | 178 | -179.9 | 62 | 0 | 0 | 0 | 112.5 | T154 S159 A160 C168 L171 I172 A176 I178 A188 L204 | T154-L156 PolarHBondContact O-N 2.97Å; L156-S159 WeakPolarHBondContact CA-OG 3.36Å; L156-S159 PolarHBondContact O-OG 3.16Å; L156-S159 VanDerWaalsContact O-OG 3.06Å; L156-A160 VanDerWaalsContact O-CB 3.29Å; L156-A160 WeakPolarHBondContact O-CB 3.48Å; L156-A160 PolarHBondContact O-N 3.46Å; L156-A160 VanDerWaalsContact O-N 3.09Å; L156-C168 HydrophobicContact CD1-CB 3.95Å; L156-L171 HydrophobicContact CB-CD1 4.17Å; L156-L171 HydrophobicContact CD1-CB 4.29Å; L156-L171 HydrophobicContact CD1-CD1 4.46Å; L156-I172 HydrophobicContact CD1-CD1 4.13Å; L156-I172 HydrophobicContact CD1-CG1 4Å; L156-I172 HydrophobicContact CD2-CD1 4.23Å; L156-I172 HydrophobicContact CD2-CG1 3.85Å; L156-A176 HydrophobicContact CB-CB 4.21Å; L156-A176 HydrophobicContact CD2-CB 3.95Å; L156-I178 HydrophobicContact CD2-CG1 4.33Å; L156-A188 HydrophobicContact CG-CB 4.12Å; L156-L204 HydrophobicContact CD1-CD2 4.17Å |
| 157 | M | 96.2 | Very high | 95.2 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.6 | -38.9 | 172.7 | -74.2 | 170.9 | -175.3 | 0 | 0 | 111.8 | L153 T154 P155 A160 K161 A180 P181 D182 A188 L191 | L153-M157 HydrophobicContact CB-CB 4.18Å; L153-M157 HydrophobicContact CB-SD 4.39Å; L153-M157 HydrophobicContact CD2-CB 4.05Å; L153-M157 HydrophobicContact CD2-SD 4.09Å; T154-M157 HydrophobicContact CG2-SD 4.4Å; T154-M157 PolarHBondContact N-SD 3.38Å; T154-M157 VanDerWaalsContact N-SD 3.42Å; T154-M157 WeakPolarHBondContact O-CB 3.38Å; T154-M157 PolarHBondContact O-N 3.44Å; T154-M157 WeakPolarHBondContact OG1-CG 3.33Å; T154-M157 PolarHBondContact OG1-N 2.86Å; P155-M157 VanDerWaalsContact C-N 3.34Å; P155-M157 PolarHBondContact O-N 2.99Å; M157-A160 PolarHBondContact O-N 3.35Å; M157-K161 WeakPolarHBondContact O-CB 3.3Å; M157-K161 PolarHBondContact O-N 3.24Å; M157-A180 HydrophobicContact CE-CB 3.8Å; M157-A180 WeakPolarHBondContact CE-O 3.17Å; M157-P181 VanDerWaalsContact CE-C 3.4Å; M157-D182 HydrophobicContact CE-CB 4.46Å; M157-D182 HydrophobicContact SD-CB 3.98Å; M157-A188 HydrophobicContact CG-CB 4.16Å; M157-L191 HydrophobicContact CB-CD1 3.47Å; M157-L191 VanDerWaalsContact CB-CD1 3.47Å; M157-L191 HydrophobicContact CG-CD1 3.8Å; M157-L191 WeakPolarHBondContact O-CD1 3.09Å |
| 158 | L | 96.1 | Very high | 95.4 | Very high | 7 Ų | 7 | 33.2 Ų | 33.2 | 4% | 0.037 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.7 | -44.2 | 176.6 | -69.2 | 174.6 | 0 | 0 | 0 | 111.8 | H124 A128 L153 T154 P155 A160 K161 H162 | H124-L158 HydrophobicContact CB-CD1 3.67Å; A128-L158 HydrophobicContact CB-CB 4.23Å; L153-L158 HydrophobicContact CB-CD2 4.3Å; L153-L158 HydrophobicContact CB-CG 4.33Å; L153-L158 HydrophobicContact CD1-CD2 3.84Å; T154-L158 PolarHBondContact O-N 2.65Å; P155-L158 PolarHBondContact O-N 2.96Å; L158-A160 VanDerWaalsContact C-N 3.32Å; L158-A160 PolarHBondContact O-N 2.93Å; L158-K161 PolarHBondContact O-N 3.09Å; L158-H162 WeakPolarHBondContact O-CB 3.48Å; L158-H162 PolarHBondContact O-CD2 3.37Å; L158-H162 VanDerWaalsContact O-CD2 3.23Å; L158-H162 PolarHBondContact O-N 2.85Å |
| 159 | S | 96.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.2 | -37.6 | 175.5 | 59.8 | 0 | 0 | 0 | 0 | 112.5 | A127 P155 L156 G163 H164 C168 | A127-S159 WeakPolarHBondContact O-CA 3.36Å; A127-S159 WeakPolarHBondContact O-CB 3.46Å; P155-S159 PolarHBondContact O-N 3.06Å; P155-S159 PolarHBondContact O-OG 3.27Å; L156-S159 WeakPolarHBondContact CA-OG 3.36Å; L156-S159 PolarHBondContact O-OG 3.16Å; L156-S159 VanDerWaalsContact O-OG 3.06Å; S159-G163 PolarHBondContact O-N 3.41Å; S159-H164 PolarHBondContact O-N 3.3Å; S159-C168 PolarHBondContact OG-SG 3.49Å |
| 160 | A | 95.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.7 | -43.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L156 M157 L158 H162 G163 A188 L191 A192 S195 L204 | L156-A160 VanDerWaalsContact O-CB 3.29Å; L156-A160 WeakPolarHBondContact O-CB 3.48Å; L156-A160 PolarHBondContact O-N 3.46Å; L156-A160 VanDerWaalsContact O-N 3.09Å; M157-A160 PolarHBondContact O-N 3.35Å; L158-A160 VanDerWaalsContact C-N 3.32Å; L158-A160 PolarHBondContact O-N 2.93Å; A160-H162 VanDerWaalsContact C-N 3.33Å; A160-H162 PolarHBondContact O-N 3.01Å; A160-G163 PolarHBondContact O-N 3.39Å; A160-A188 HydrophobicContact CB-CB 4.02Å; A160-A188 VanDerWaalsContact CB-O 3.26Å; A160-A188 WeakPolarHBondContact CB-O 3.47Å; A160-L191 HydrophobicContact CB-CB 4.49Å; A160-A192 HydrophobicContact CB-CB 4.23Å; A160-S195 PolarHBondContact O-OG 3.34Å; A160-L204 HydrophobicContact CB-CD1 3.87Å |
| 161 | K | 94.7 | Very high | 95.5 | Very high | 78 Ų | 78 | 26.3 Ų | 26.3 | 34% | 0.339 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -63.5 | -35.6 | 176.4 | -175.5 | -172.8 | 176.8 | -169.9 | 0 | 112.8 | M157 L158 L191 S195 | M157-K161 WeakPolarHBondContact O-CB 3.3Å; M157-K161 PolarHBondContact O-N 3.24Å; L158-K161 PolarHBondContact O-N 3.09Å; K161-L191 HydrophobicContact CB-CB 4.1Å; K161-L191 HydrophobicContact CB-CD1 4.46Å; K161-S195 WeakPolarHBondContact O-CB 3.48Å |
| 162 | H | 93.6 | Very high | 95.6 | Very high | 97 Ų | 97 | 23.5 Ų | 23.5 | 45% | 0.449 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -91 | -4.3 | 176.8 | -71.8 | -73 | 0 | 0 | 0 | 113.8 | L158 A160 H164 | L158-H162 WeakPolarHBondContact O-CB 3.48Å; L158-H162 PolarHBondContact O-CD2 3.37Å; L158-H162 VanDerWaalsContact O-CD2 3.23Å; L158-H162 PolarHBondContact O-N 2.85Å; A160-H162 VanDerWaalsContact C-N 3.33Å; A160-H162 PolarHBondContact O-N 3.01Å; H162-H164 VanDerWaalsContact CB-NE2 3.28Å; H162-H164 WeakPolarHBondContact CB-NE2 3.35Å |
| 163 | G | 93.7 | Very high | 95.6 | Very high | 22 Ų | 22 | 28.5 Ų | 28.5 | 23% | 0.227 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | 31.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 116 | S159 A160 P165 S197 | S159-G163 PolarHBondContact O-N 3.41Å; A160-G163 PolarHBondContact O-N 3.39Å; G163-P165 WeakPolarHBondContact O-CD 3.36Å; G163-S197 VanDerWaalsContact CA-CB 3.45Å; G163-S197 VanDerWaalsContact CA-OG 3.26Å; G163-S197 WeakPolarHBondContact CA-OG 3.18Å; G163-S197 PolarHBondContact O-OG 3.44Å |
| 164 | H | 96.6 | Very high | 95.4 | Very high | 68 Ų | 68 | 30.9 Ų | 30.9 | 32% | 0.315 | 17% | 0.165 | S | C | . | . | trans | -100.9 | 90.3 | -176.3 | -57.2 | -58.5 | 0 | 0 | 0 | 112.1 | A127 A128 G130 S159 H162 V167 C168 | A127-H164 PolarHBondContact O-CD2 3.18Å; A128-H164 PolarHBondContact O-CD2 2.87Å; A128-H164 PolarHBondContact O-NE2 2.86Å; G130-H164 VanDerWaalsContact CA-CG 3.45Å; G130-H164 PolarHBondContact N-CD2 2.93Å; G130-H164 PolarHBondContact N-NE2 2.92Å; S159-H164 PolarHBondContact O-N 3.3Å; H162-H164 VanDerWaalsContact CB-NE2 3.28Å; H162-H164 WeakPolarHBondContact CB-NE2 3.35Å; H164-V167 HydrophobicContact CB-CB 3.99Å; H164-V167 HydrophobicContact CB-CG2 4.08Å; H164-V167 PolarHBondContact O-N 3.12Å; H164-C168 PolarHBondContact O-N 3.4Å; H164-C168 PolarHBondContact O-SG 3.33Å | ||
| 165 | P | 94.7 | Very high | 95.1 | Very high | 18 Ų | 18 | 33.2 Ų | 33.2 | 12% | 0.117 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -69.8 | -33.9 | -171.9 | 27.2 | -34.6 | 0 | 0 | 0 | 114.1 | G163 V167 C168 S169 A199 A200 V203 | G163-P165 WeakPolarHBondContact O-CD 3.36Å; P165-V167 VanDerWaalsContact C-N 3.34Å; P165-C168 WeakPolarHBondContact O-CB 3.29Å; P165-C168 PolarHBondContact O-N 2.97Å; P165-C168 VanDerWaalsContact O-N 3.16Å; P165-S169 PolarHBondContact O-N 2.88Å; P165-A199 HydrophobicContact CB-CB 4.04Å; P165-A199 HydrophobicContact CG-CB 3.81Å; P165-A200 HydrophobicContact CB-CB 4.49Å; P165-V203 HydrophobicContact CB-CB 4.49Å; P165-V203 HydrophobicContact CB-CG2 3.96Å |
| 166 | E | 96.2 | Very high | 95 | Very high | 118 Ų | 118 | 33.7 Ų | 33.7 | 55% | 0.551 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -66.6 | -39.4 | 178.1 | -59.3 | 72.4 | -158.5 | 0 | 0 | 110.8 | V132 S169 T170 | V132-E166 HydrophobicContact CG2-CB 3.66Å; E166-S169 PolarHBondContact O-N 2.91Å; E166-T170 WeakPolarHBondContact O-CB 3.41Å; E166-T170 WeakPolarHBondContact O-CG2 3.17Å; E166-T170 PolarHBondContact O-N 2.9Å; E166-T170 PolarHBondContact O-OG1 3.43Å |
| 167 | V | 96.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.8 | -41.6 | 171.2 | 175.6 | 0 | 0 | 0 | 0 | 110.6 | A127 V132 V135 H164 P165 S169 T170 L171 | A127-V167 HydrophobicContact CB-CG1 3.95Å; V132-V167 HydrophobicContact CG2-CG2 3.72Å; V135-V167 HydrophobicContact CG2-CG1 4.09Å; H164-V167 HydrophobicContact CB-CB 3.99Å; H164-V167 HydrophobicContact CB-CG2 4.08Å; H164-V167 PolarHBondContact O-N 3.12Å; P165-V167 VanDerWaalsContact C-N 3.34Å; V167-S169 PolarHBondContact O-N 2.9Å; V167-T170 WeakPolarHBondContact CA-OG1 3.28Å; V167-T170 PolarHBondContact O-N 3.42Å; V167-T170 PolarHBondContact O-OG1 3.19Å; V167-L171 HydrophobicContact CG1-CD1 3.69Å; V167-L171 HydrophobicContact CG1-CG 4.1Å; V167-L171 WeakPolarHBondContact O-CB 3.46Å; V167-L171 WeakPolarHBondContact O-CG 3.35Å; V167-L171 PolarHBondContact O-N 3.19Å |
| 168 | C | 96 | Very high | 94.6 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.2 | -44.9 | 176 | -64.6 | 0 | 0 | 0 | 0 | 111.7 | L156 S159 H164 P165 I172 V203 | L156-C168 HydrophobicContact CD1-CB 3.95Å; S159-C168 PolarHBondContact OG-SG 3.49Å; H164-C168 PolarHBondContact O-N 3.4Å; H164-C168 PolarHBondContact O-SG 3.33Å; P165-C168 WeakPolarHBondContact O-CB 3.29Å; P165-C168 PolarHBondContact O-N 2.97Å; P165-C168 VanDerWaalsContact O-N 3.16Å; C168-I172 WeakPolarHBondContact O-CB 3.49Å; C168-I172 VanDerWaalsContact O-CD1 3.32Å; C168-I172 WeakPolarHBondContact O-CD1 3.36Å; C168-I172 WeakPolarHBondContact O-CG1 3.5Å; C168-I172 PolarHBondContact O-N 3.33Å; C168-V203 HydrophobicContact CB-CG1 4.31Å |
| 169 | S | 95.9 | Very high | 94.4 | Very high | 28 Ų | 28 | 46.3 Ų | 46.3 | 20% | 0.196 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.5 | -52.2 | 175.1 | -168.6 | 0 | 0 | 0 | 0 | 111.3 | P165 E166 V167 L171 I172 D173 K207 | P165-S169 PolarHBondContact O-N 2.88Å; E166-S169 PolarHBondContact O-N 2.91Å; V167-S169 PolarHBondContact O-N 2.9Å; S169-L171 PolarHBondContact O-N 2.87Å; S169-I172 WeakPolarHBondContact O-CB 3.26Å; S169-I172 PolarHBondContact O-N 2.98Å; S169-D173 WeakPolarHBondContact O-CB 3.37Å; S169-D173 PolarHBondContact O-N 3.42Å; S169-D173 PolarHBondContact OG-OD2 3.42Å; S169-K207 WeakPolarHBondContact OG-CE 3.41Å; S169-K207 PolarHBondContact OG-NZ 2.75Å |
| 170 | T | 95.9 | Very high | 94.2 | Very high | 23 Ų | 23 | 46.6 Ų | 46.6 | 14% | 0.141 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.3 | -37.2 | -174.7 | 46.6 | 0 | 0 | 0 | 0 | 113.1 | V132 Q136 E166 V167 D173 C174 | V132-T170 HydrophobicContact CG1-CG2 3.9Å; Q136-T170 HydrophobicContact CG-CG2 4.35Å; E166-T170 WeakPolarHBondContact O-CB 3.41Å; E166-T170 WeakPolarHBondContact O-CG2 3.17Å; E166-T170 PolarHBondContact O-N 2.9Å; E166-T170 PolarHBondContact O-OG1 3.43Å; V167-T170 WeakPolarHBondContact CA-OG1 3.28Å; V167-T170 PolarHBondContact O-N 3.42Å; V167-T170 PolarHBondContact O-OG1 3.19Å; T170-D173 PolarHBondContact O-N 3.09Å; T170-C174 WeakPolarHBondContact O-CB 3.13Å; T170-C174 PolarHBondContact O-N 3.12Å; T170-C174 PolarHBondContact O-SG 3.02Å |
| 171 | L | 95.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.3 | -43.6 | 171.1 | -74.9 | 173.3 | 0 | 0 | 0 | 112.2 | L123 A127 V135 I145 P155 L156 V167 S169 C174 G175 A176 | L123-L171 HydrophobicContact CD1-CD2 4.09Å; L123-L171 HydrophobicContact CD2-CD2 4.41Å; L123-L171 HydrophobicContact CG-CD2 4.43Å; A127-L171 HydrophobicContact CB-CD1 4.04Å; V135-L171 HydrophobicContact CG1-CD2 3.59Å; V135-L171 HydrophobicContact CG1-CG 3.83Å; I145-L171 HydrophobicContact CG2-CD2 4.36Å; P155-L171 HydrophobicContact CB-CD1 3.97Å; P155-L171 HydrophobicContact CB-CD2 4.27Å; L156-L171 HydrophobicContact CB-CD1 4.17Å; L156-L171 HydrophobicContact CD1-CB 4.29Å; L156-L171 HydrophobicContact CD1-CD1 4.46Å; V167-L171 HydrophobicContact CG1-CD1 3.69Å; V167-L171 HydrophobicContact CG1-CG 4.1Å; V167-L171 WeakPolarHBondContact O-CB 3.46Å; V167-L171 WeakPolarHBondContact O-CG 3.35Å; V167-L171 PolarHBondContact O-N 3.19Å; S169-L171 PolarHBondContact O-N 2.87Å; L171-C174 CarbonylContact O-C 3.57Å; L171-C174 PolarHBondContact O-N 2.68Å; L171-G175 PolarHBondContact O-N 3.08Å; L171-A176 HydrophobicContact CB-CB 3.96Å; L171-A176 WeakPolarHBondContact O-CB 3.15Å; L171-A176 PolarHBondContact O-N 2.92Å |
| 172 | I | 94.6 | Very high | 94.1 | Very high | 24 Ų | 24 | 46.1 Ų | 46.1 | 12% | 0.123 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.6 | -43.2 | 177.3 | -70.7 | 169 | 0 | 0 | 0 | 111.2 | L156 C168 S169 C174 G175 I178 L204 K207 | L156-I172 HydrophobicContact CD1-CD1 4.13Å; L156-I172 HydrophobicContact CD1-CG1 4Å; L156-I172 HydrophobicContact CD2-CD1 4.23Å; L156-I172 HydrophobicContact CD2-CG1 3.85Å; C168-I172 WeakPolarHBondContact O-CB 3.49Å; C168-I172 VanDerWaalsContact O-CD1 3.32Å; C168-I172 WeakPolarHBondContact O-CD1 3.36Å; C168-I172 WeakPolarHBondContact O-CG1 3.5Å; C168-I172 PolarHBondContact O-N 3.33Å; S169-I172 WeakPolarHBondContact O-CB 3.26Å; S169-I172 PolarHBondContact O-N 2.98Å; I172-C174 PolarHBondContact O-N 2.61Å; I172-G175 WeakPolarHBondContact O-CA 3.48Å; I172-G175 PolarHBondContact O-N 3.49Å; I172-I178 HydrophobicContact CD1-CD1 3.85Å; I172-I178 HydrophobicContact CD1-CG1 3.74Å; I172-I178 HydrophobicContact CG1-CD1 4.11Å; I172-I178 HydrophobicContact CG1-CG1 3.74Å; I172-I178 HydrophobicContact CG2-CD1 3.85Å; I172-I178 HydrophobicContact CG2-CG1 4.28Å; I172-L204 HydrophobicContact CD1-CD2 3.96Å; I172-K207 HydrophobicContact CD1-CB 3.92Å; I172-K207 HydrophobicContact CD1-CG 4.01Å; I172-K207 HydrophobicContact CG2-CB 4.17Å; I172-K207 HydrophobicContact CG2-CD 3.94Å; I172-K207 HydrophobicContact CG2-CG 4.18Å |
| 173 | D | 93.4 | Very high | 94.1 | Very high | 105 Ų | 105 | 46.8 Ų | 46.8 | 56% | 0.561 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -67.6 | -22.1 | 178.4 | -63.7 | -39.8 | 0 | 0 | 0 | 111.8 | S169 T170 K207 | S169-D173 WeakPolarHBondContact O-CB 3.37Å; S169-D173 PolarHBondContact O-N 3.42Å; S169-D173 PolarHBondContact OG-OD2 3.42Å; T170-D173 PolarHBondContact O-N 3.09Å; D173-K207 IonicContact OD1-NZ 2.56Å; D173-K207 PolarHBondContact OD1-NZ 2.92Å; D173-K207 IonicContact OD2-NZ 2.6Å; D173-K207 PolarHBondContact OD2-NZ 2.9Å |
| 174 | C | 91.3 | Very high | 94 | Very high | 55 Ų | 55 | 51 Ų | 51 | 37% | 0.372 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -2.5 | 168.1 | -63.1 | 0 | 0 | 0 | 0 | 114.4 | C139 I145 T170 L171 I172 | C139-C174 HydrophobicContact CB-CB 3.76Å; C139-C174 WeakPolarHBondContact CB-SG 3.22Å; I145-C174 HydrophobicContact CD1-CB 3.79Å; I145-C174 VanDerWaalsContact CD1-O 3.24Å; I145-C174 WeakPolarHBondContact CD1-O 3.32Å; T170-C174 WeakPolarHBondContact O-CB 3.13Å; T170-C174 PolarHBondContact O-N 3.12Å; T170-C174 PolarHBondContact O-SG 3.02Å; L171-C174 CarbonylContact O-C 3.57Å; L171-C174 PolarHBondContact O-N 2.68Å; I172-C174 PolarHBondContact O-N 2.61Å |
| 175 | G | 90.3 | Very high | 93.9 | Very high | 51 Ų | 51 | 48.9 Ų | 48.9 | 53% | 0.526 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 105.3 | 20.1 | 175 | 0 | 0 | 0 | 0 | 0 | 116.7 | L171 I172 | L171-G175 PolarHBondContact O-N 3.08Å; I172-G175 WeakPolarHBondContact O-CA 3.48Å; I172-G175 PolarHBondContact O-N 3.49Å |
| 176 | A | 93.7 | Very high | 93.8 | Very high | 9 Ų | 9 | 48.2 Ų | 48.2 | 7% | 0.074 | 27% | 0.265 | C | S | . | . | trans | -65.6 | 139.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114 | I145 N146 L156 L171 I178 | I145-A176 HydrophobicContact CG2-CB 3.7Å; N146-A176 VanDerWaalsContact OD1-CA 3.29Å; N146-A176 WeakPolarHBondContact OD1-CA 3.34Å; L156-A176 HydrophobicContact CB-CB 4.21Å; L156-A176 HydrophobicContact CD2-CB 3.95Å; L171-A176 HydrophobicContact CB-CB 3.96Å; L171-A176 WeakPolarHBondContact O-CB 3.15Å; L171-A176 PolarHBondContact O-N 2.92Å; A176-I178 PolarHBondContact O-N 3.43Å | ||
| 177 | E | 92.9 | Very high | 93.8 | Very high | 115 Ų | 115 | 43.1 Ų | 43.1 | 54% | 0.537 | 24% | 0.242 | S | C | . | . | trans | -76.2 | 90.5 | -179.5 | -85.9 | 167.7 | -119.8 | 0 | 0 | 112.7 | N146 K179 A180 | N146-E177 VanDerWaalsContact ND2-CG 3.29Å; N146-E177 WeakPolarHBondContact ND2-CG 3.48Å; N146-E177 PolarHBondContact ND2-OE1 2.92Å; N146-E177 PolarHBondContact OD1-N 3.38Å; E177-K179 PolarHBondContact O-N 2.9Å; E177-K179 VanDerWaalsContact O-N 3.11Å; E177-A180 HydrophobicContact CB-CB 4.14Å; E177-A180 WeakPolarHBondContact O-CB 3.23Å; E177-A180 PolarHBondContact O-N 3.49Å | ||
| 178 | I | 93.9 | Very high | 93.7 | Very high | 29 Ų | 29 | 43.2 Ų | 43.2 | 15% | 0.149 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -35 | 176.3 | -53 | 174.4 | 0 | 0 | 0 | 112.7 | L156 I172 A176 K207 A209 | L156-I178 HydrophobicContact CD2-CG1 4.33Å; I172-I178 HydrophobicContact CD1-CD1 3.85Å; I172-I178 HydrophobicContact CD1-CG1 3.74Å; I172-I178 HydrophobicContact CG1-CD1 4.11Å; I172-I178 HydrophobicContact CG1-CG1 3.74Å; I172-I178 HydrophobicContact CG2-CD1 3.85Å; I172-I178 HydrophobicContact CG2-CG1 4.28Å; A176-I178 PolarHBondContact O-N 3.43Å; I178-K207 HydrophobicContact CD1-CB 3.95Å; I178-K207 VanDerWaalsContact CD1-O 3.23Å; I178-K207 WeakPolarHBondContact CD1-O 3.49Å; I178-A209 HydrophobicContact CG2-CB 3.56Å |
| 179 | K | 90.1 | Very high | 93.6 | Very high | 131 Ų | 131 | 43.2 Ų | 43.2 | 57% | 0.57 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 5.7 | -176.7 | -61.6 | -157.7 | 175.6 | -151.5 | 0 | 114.6 | E177 D210 | E177-K179 PolarHBondContact O-N 2.9Å; E177-K179 VanDerWaalsContact O-N 3.11Å; K179-D210 IonicContact NZ-OD2 2.54Å; K179-D210 PolarHBondContact NZ-OD2 2.8Å |
| 180 | A | 92.6 | Very high | 93.5 | Very high | 7 Ų | 7 | 42 Ų | 42 | 6% | 0.058 | 23% | 0.234 | C | C | . | . | trans | -61.7 | 138.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | T154 M157 E177 | T154-A180 HydrophobicContact CG2-CB 4.31Å; M157-A180 HydrophobicContact CE-CB 3.8Å; M157-A180 WeakPolarHBondContact CE-O 3.17Å; E177-A180 HydrophobicContact CB-CB 4.14Å; E177-A180 WeakPolarHBondContact O-CB 3.23Å; E177-A180 PolarHBondContact O-N 3.49Å | ||
| 181 | P | 93.8 | Very high | 93.4 | Very high | 59 Ų | 59 | 40.9 Ų | 40.9 | 38% | 0.383 | 23% | 0.227 | S | C | . | . | B | Isolated β-bridge | trans | -101.5 | 148.3 | 169.1 | 35 | -31.2 | 0 | 0 | 0 | 112.1 | K148 M157 R186 | K148-P181 WeakPolarHBondContact CE-O 3.44Å; K148-P181 PolarHBondContact NZ-O 3.27Å; M157-P181 VanDerWaalsContact CE-C 3.4Å; P181-R186 CarbonylContact C-O 3.55Å; P181-R186 WeakPolarHBondContact CA-O 3.29Å |
| 182 | D | 94.6 | Very high | 93.3 | Very high | 8 Ų | 8 | 40.9 Ų | 40.9 | 4% | 0.043 | 23% | 0.227 | C | C | . | . | trans | -75.3 | -176.7 | 170.9 | 79.6 | -3 | 0 | 0 | 0 | 112.4 | L153 M157 R184 G185 R186 | L153-D182 HydrophobicContact CD2-CB 3.73Å; M157-D182 HydrophobicContact CE-CB 4.46Å; M157-D182 HydrophobicContact SD-CB 3.98Å; D182-R184 PolarHBondContact O-N 2.83Å; D182-R184 VanDerWaalsContact O-N 3.09Å; D182-R184 VanDerWaalsContact OD1-C 3.26Å; D182-R184 VanDerWaalsContact OD1-CA 3.25Å; D182-R184 WeakPolarHBondContact OD1-CA 3.46Å; D182-R184 WeakPolarHBondContact OD1-CB 3.3Å; D182-R184 PolarHBondContact OD1-N 3.26Å; D182-G185 PolarHBondContact O-N 2.83Å; D182-G185 PolarHBondContact OD1-N 2.96Å; D182-G185 VanDerWaalsContact OD1-N 3.13Å; D182-R186 PolarHBondContact N-O 2.79Å; D182-R186 WeakPolarHBondContact OD1-CB 3.35Å; D182-R186 PolarHBondContact OD1-N 3.31Å; D182-R186 IonicContact OD1-NE 3.31Å; D182-R186 IonicContact OD2-CZ 3.63Å; D182-R186 IonicContact OD2-NE 3.78Å; D182-R186 PolarHBondContact OD2-NE 2.99Å; D182-R186 IonicContact OD2-NH2 3.76Å; D182-R186 PolarHBondContact OD2-NH2 3.23Å | ||
| 183 | N | 93.9 | Very high | 93.2 | Very high | 112 Ų | 112 | 39.7 Ų | 39.7 | 60% | 0.599 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -8.2 | 178.7 | -70.7 | -14.2 | 0 | 0 | 0 | 114.1 | T150 D151 G152 | T150-N183 PolarHBondContact O-ND2 2.78Å; D151-N183 VanDerWaalsContact O-CB 3.24Å; D151-N183 WeakPolarHBondContact O-CB 3.49Å; D151-N183 VanDerWaalsContact O-CG 3.25Å; D151-N183 PolarHBondContact O-N 3.39Å; D151-N183 PolarHBondContact O-ND2 2.77Å; G152-N183 WeakPolarHBondContact CA-OD1 3.03Å; G152-N183 PolarHBondContact N-ND2 3.04Å |
| 184 | R | 92.4 | Very high | 93.1 | Very high | 109 Ų | 109 | 38.4 Ų | 38.4 | 41% | 0.411 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 12.2 | 171.6 | -58.8 | -164.7 | -74 | -89.7 | 16.7 | 112.3 | D182 R186 D215 S216 | D182-R184 PolarHBondContact O-N 2.83Å; D182-R184 VanDerWaalsContact O-N 3.09Å; D182-R184 VanDerWaalsContact OD1-C 3.26Å; D182-R184 VanDerWaalsContact OD1-CA 3.25Å; D182-R184 WeakPolarHBondContact OD1-CA 3.46Å; D182-R184 WeakPolarHBondContact OD1-CB 3.3Å; D182-R184 PolarHBondContact OD1-N 3.26Å; R184-R186 VanDerWaalsContact C-N 3.28Å; R184-R186 HydrophobicContact CB-CG 4.13Å; R184-R186 PolarHBondContact O-N 2.77Å; R184-D215 WeakPolarHBondContact O-CB 3.43Å; R184-S216 WeakPolarHBondContact O-CB 3.31Å; R184-S216 PolarHBondContact O-N 2.84Å; R184-S216 PolarHBondContact O-OG 3.3Å |
| 185 | G | 92.9 | Very high | 93 | Very high | 24 Ų | 24 | 38.1 Ų | 38.1 | 25% | 0.247 | 21% | 0.21 | C | C | . | . | S | Bend | trans | 79.1 | 2.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | D182 | D182-G185 PolarHBondContact O-N 2.83Å; D182-G185 PolarHBondContact OD1-N 2.96Å; D182-G185 VanDerWaalsContact OD1-N 3.13Å |
| 186 | R | 93.7 | Very high | 92.9 | Very high | 4 Ų | 4 | 39.1 Ų | 39.1 | 2% | 0.015 | 20% | 0.203 | C | C | . | . | trans | -84.3 | 136.1 | -169.6 | -54 | 177.1 | -55.9 | 148.6 | 18.9 | 111.6 | P181 D182 R184 M190 L191 E194 D215 Y224 | P181-R186 CarbonylContact C-O 3.55Å; P181-R186 WeakPolarHBondContact CA-O 3.29Å; D182-R186 PolarHBondContact N-O 2.79Å; D182-R186 WeakPolarHBondContact OD1-CB 3.35Å; D182-R186 PolarHBondContact OD1-N 3.31Å; D182-R186 IonicContact OD1-NE 3.31Å; D182-R186 IonicContact OD2-CZ 3.63Å; D182-R186 IonicContact OD2-NE 3.78Å; D182-R186 PolarHBondContact OD2-NE 2.99Å; D182-R186 IonicContact OD2-NH2 3.76Å; D182-R186 PolarHBondContact OD2-NH2 3.23Å; R184-R186 VanDerWaalsContact C-N 3.28Å; R184-R186 HydrophobicContact CB-CG 4.13Å; R184-R186 PolarHBondContact O-N 2.77Å; R186-M190 VanDerWaalsContact CA-SD 3.56Å; R186-M190 HydrophobicContact CB-CB 4.28Å; R186-M190 HydrophobicContact CB-SD 3.91Å; R186-M190 HydrophobicContact CG-SD 4.27Å; R186-L191 HydrophobicContact CB-CD2 4.36Å; R186-E194 IonicContact CZ-OE2 2.61Å; R186-E194 IonicContact NH1-OE1 2.67Å; R186-E194 PolarHBondContact NH1-OE1 3.06Å; R186-E194 IonicContact NH1-OE2 3.76Å; R186-E194 PolarHBondContact NH1-OE2 3.11Å; R186-D215 HydrophobicContact CG-CB 3.73Å; R186-Y224 WeakPolarHBondContact CD-OH 3.2Å | ||
| 187 | T | 94.8 | Very high | 92.7 | Very high | 12 Ų | 12 | 39.5 Ų | 39.5 | 7% | 0.074 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -88.4 | 163.5 | 176.8 | 64.7 | 0 | 0 | 0 | 0 | 111.4 | L189 M190 L191 A213 | T187-L189 PolarHBondContact O-N 3.3Å; T187-L189 VanDerWaalsContact O-N 3.12Å; T187-M190 WeakPolarHBondContact O-CB 3.24Å; T187-M190 PolarHBondContact O-N 2.77Å; T187-L191 PolarHBondContact O-N 2.76Å; T187-A213 HydrophobicContact CG2-CB 3.97Å |
| 188 | A | 95.2 | Very high | 92.7 | Very high | 2 Ų | 2 | 35.9 Ų | 35.9 | 2% | 0.017 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -52.6 | -35.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L156 M157 A160 L191 A192 L204 | L156-A188 HydrophobicContact CG-CB 4.12Å; M157-A188 HydrophobicContact CG-CB 4.16Å; A160-A188 HydrophobicContact CB-CB 4.02Å; A160-A188 VanDerWaalsContact CB-O 3.26Å; A160-A188 WeakPolarHBondContact CB-O 3.47Å; A188-L191 WeakPolarHBondContact O-CB 3.29Å; A188-L191 PolarHBondContact O-N 3.32Å; A188-A192 PolarHBondContact O-N 3.11Å; A188-L204 HydrophobicContact CB-CD1 4.26Å; A188-L204 HydrophobicContact CB-CD2 4.22Å |
| 189 | L | 94.5 | Very high | 92.6 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65 | -38 | 176.9 | 179.2 | 64.3 | 0 | 0 | 0 | 113 | T187 L191 A192 A193 V201 L204 A209 L211 V221 L237 | T187-L189 PolarHBondContact O-N 3.3Å; T187-L189 VanDerWaalsContact O-N 3.12Å; L189-L191 VanDerWaalsContact C-N 3.28Å; L189-L191 PolarHBondContact O-N 3.39Å; L189-A192 PolarHBondContact O-N 2.89Å; L189-A193 WeakPolarHBondContact O-CB 3.18Å; L189-A193 PolarHBondContact O-N 2.76Å; L189-V201 HydrophobicContact CD1-CB 4.37Å; L189-V201 HydrophobicContact CD1-CG1 4.07Å; L189-V201 HydrophobicContact CD1-CG2 4.39Å; L189-L204 HydrophobicContact CB-CD1 4.5Å; L189-L204 HydrophobicContact CD1-CB 4.05Å; L189-A209 HydrophobicContact CB-CB 4.05Å; L189-A209 HydrophobicContact CD2-CB 3.89Å; L189-A209 HydrophobicContact CG-CB 4.43Å; L189-L211 HydrophobicContact CD2-CD2 3.6Å; L189-V221 HydrophobicContact CD2-CG1 4.16Å; L189-V221 HydrophobicContact CD2-CG2 3.87Å; L189-V221 HydrophobicContact CG-CG1 3.86Å; L189-V221 HydrophobicContact CG-CG2 4.08Å; L189-L237 HydrophobicContact CD1-CD1 4.35Å; L189-L237 HydrophobicContact CD2-CD1 4.33Å |
| 190 | M | 93.3 | Very high | 92.8 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.2 | -34.8 | 173.3 | -66 | 171.1 | 177.7 | 0 | 0 | 111.6 | R186 T187 A193 E194 A213 D215 V221 Y224 | R186-M190 VanDerWaalsContact CA-SD 3.56Å; R186-M190 HydrophobicContact CB-CB 4.28Å; R186-M190 HydrophobicContact CB-SD 3.91Å; R186-M190 HydrophobicContact CG-SD 4.27Å; T187-M190 WeakPolarHBondContact O-CB 3.24Å; T187-M190 PolarHBondContact O-N 2.77Å; M190-A193 PolarHBondContact O-N 2.89Å; M190-E194 VanDerWaalsContact O-CB 3.31Å; M190-E194 WeakPolarHBondContact O-CB 3.3Å; M190-E194 PolarHBondContact O-N 2.84Å; M190-A213 HydrophobicContact CE-CB 3.84Å; M190-A213 WeakPolarHBondContact CE-O 3.47Å; M190-D215 HydrophobicContact SD-CB 4.16Å; M190-V221 HydrophobicContact CE-CG2 4.4Å; M190-V221 HydrophobicContact CG-CG2 3.9Å; M190-Y224 HydrophobicContact CB-CD2 3.84Å; M190-Y224 HydrophobicContact CB-CE2 4.06Å; M190-Y224 HydrophobicContact CB-CG 4.44Å; M190-Y224 HydrophobicContact CG-CD2 3.98Å; M190-Y224 HydrophobicContact CG-CE2 4.18Å; M190-Y224 HydrophobicContact SD-CD2 4.48Å; M190-Y224 HydrophobicContact SD-CE2 4.12Å |
| 191 | L | 93.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -71.3 | -36.7 | 178.1 | -54.9 | 178.1 | 0 | 0 | 0 | 112.3 | L153 M157 A160 K161 R186 T187 A188 L189 A193 E194 S195 | L153-L191 HydrophobicContact CD2-CD1 3.88Å; M157-L191 HydrophobicContact CB-CD1 3.47Å; M157-L191 VanDerWaalsContact CB-CD1 3.47Å; M157-L191 HydrophobicContact CG-CD1 3.8Å; M157-L191 WeakPolarHBondContact O-CD1 3.09Å; A160-L191 HydrophobicContact CB-CB 4.49Å; K161-L191 HydrophobicContact CB-CB 4.1Å; K161-L191 HydrophobicContact CB-CD1 4.46Å; R186-L191 HydrophobicContact CB-CD2 4.36Å; T187-L191 PolarHBondContact O-N 2.76Å; A188-L191 WeakPolarHBondContact O-CB 3.29Å; A188-L191 PolarHBondContact O-N 3.32Å; L189-L191 VanDerWaalsContact C-N 3.28Å; L189-L191 PolarHBondContact O-N 3.39Å; L191-A193 VanDerWaalsContact C-N 3.33Å; L191-E194 PolarHBondContact O-N 3.11Å; L191-S195 WeakPolarHBondContact O-CB 3.17Å; L191-S195 PolarHBondContact O-N 2.88Å; L191-S195 PolarHBondContact O-OG 2.92Å; L191-S195 VanDerWaalsContact O-OG 3.06Å |
| 192 | A | 93.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.7 | -34.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A160 A188 L189 S195 N196 S197 A200 V201 L204 | A160-A192 HydrophobicContact CB-CB 4.23Å; A188-A192 PolarHBondContact O-N 3.11Å; L189-A192 PolarHBondContact O-N 2.89Å; A192-S195 WeakPolarHBondContact CA-OG 3.42Å; A192-S195 PolarHBondContact O-OG 3.1Å; A192-N196 PolarHBondContact O-N 3.1Å; A192-S197 PolarHBondContact O-N 3.19Å; A192-A200 HydrophobicContact CB-CB 3.9Å; A192-V201 HydrophobicContact CB-CG2 3.66Å; A192-L204 HydrophobicContact CB-CD1 3.9Å |
| 193 | A | 92.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -71.9 | -37.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L189 M190 L191 V201 V221 T225 S228 | L189-A193 WeakPolarHBondContact O-CB 3.18Å; L189-A193 PolarHBondContact O-N 2.76Å; M190-A193 PolarHBondContact O-N 2.89Å; L191-A193 VanDerWaalsContact C-N 3.33Å; A193-V201 HydrophobicContact CB-CG2 4.46Å; A193-V221 HydrophobicContact CB-CG1 3.98Å; A193-T225 HydrophobicContact CB-CG2 3.63Å; A193-S228 WeakPolarHBondContact O-CB 3.32Å; A193-S228 PolarHBondContact O-OG 3.04Å |
| 194 | E | 91.1 | Very high | 92.6 | Very high | 78 Ų | 78 | 27.1 Ų | 27.1 | 36% | 0.364 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -65.5 | -38.2 | 173.4 | -176.2 | 174.2 | -106.8 | 0 | 0 | 111.6 | R186 M190 L191 Y224 | R186-E194 IonicContact CZ-OE2 2.61Å; R186-E194 IonicContact NH1-OE1 2.67Å; R186-E194 PolarHBondContact NH1-OE1 3.06Å; R186-E194 IonicContact NH1-OE2 3.76Å; R186-E194 PolarHBondContact NH1-OE2 3.11Å; M190-E194 VanDerWaalsContact O-CB 3.31Å; M190-E194 WeakPolarHBondContact O-CB 3.3Å; M190-E194 PolarHBondContact O-N 2.84Å; L191-E194 PolarHBondContact O-N 3.11Å; E194-Y224 HydrophobicContact CB-CD1 3.89Å; E194-Y224 HydrophobicContact CG-CD1 4.24Å; E194-Y224 WeakPolarHBondContact OE1-CE1 3.44Å |
| 195 | S | 89.2 | Confident | 92.5 | Very high | 48 Ų | 48 | 22.1 Ų | 22.1 | 34% | 0.336 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -3.8 | -179.7 | 68.5 | 0 | 0 | 0 | 0 | 115.3 | A160 K161 L191 A192 S197 | A160-S195 PolarHBondContact O-OG 3.34Å; K161-S195 WeakPolarHBondContact O-CB 3.48Å; L191-S195 WeakPolarHBondContact O-CB 3.17Å; L191-S195 PolarHBondContact O-N 2.88Å; L191-S195 PolarHBondContact O-OG 2.92Å; L191-S195 VanDerWaalsContact O-OG 3.06Å; A192-S195 WeakPolarHBondContact CA-OG 3.42Å; A192-S195 PolarHBondContact O-OG 3.1Å; S195-S197 VanDerWaalsContact C-N 3.28Å; S195-S197 PolarHBondContact O-N 3.09Å |
| 196 | N | 88.4 | Confident | 92.4 | Very high | 72 Ų | 72 | 26.7 Ų | 26.7 | 39% | 0.385 | 15% | 0.149 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56 | 35.6 | -171.8 | -169.5 | 21.3 | 0 | 0 | 0 | 114.1 | A192 V198 S230 | A192-N196 PolarHBondContact O-N 3.1Å; N196-V198 PolarHBondContact O-N 2.81Å; N196-S230 WeakPolarHBondContact OD1-CB 3.39Å; N196-S230 PolarHBondContact OD1-OG 3.27Å |
| 197 | S | 90.4 | Very high | 92.1 | Very high | 18 Ų | 18 | 30.1 Ų | 30.1 | 13% | 0.126 | 16% | 0.164 | C | C | . | . | trans | -90.6 | 87.2 | 173.2 | -175.1 | 0 | 0 | 0 | 0 | 110.6 | G163 A192 S195 A199 A200 V201 | G163-S197 VanDerWaalsContact CA-CB 3.45Å; G163-S197 VanDerWaalsContact CA-OG 3.26Å; G163-S197 WeakPolarHBondContact CA-OG 3.18Å; G163-S197 PolarHBondContact O-OG 3.44Å; A192-S197 PolarHBondContact O-N 3.19Å; S195-S197 VanDerWaalsContact C-N 3.28Å; S195-S197 PolarHBondContact O-N 3.09Å; S197-A199 VanDerWaalsContact C-N 3.29Å; S197-A199 PolarHBondContact O-N 3.26Å; S197-A200 PolarHBondContact O-N 2.99Å; S197-A200 VanDerWaalsContact O-N 3.11Å; S197-A200 VanDerWaalsContact OG-CB 3.24Å; S197-A200 WeakPolarHBondContact OG-CB 3.47Å; S197-A200 PolarHBondContact OG-N 3.22Å; S197-V201 WeakPolarHBondContact O-CG2 3.24Å; S197-V201 PolarHBondContact O-N 3.36Å | ||
| 198 | V | 92.1 | Very high | 91.7 | Very high | 38 Ų | 38 | 31.6 Ų | 31.6 | 23% | 0.23 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -53 | -46.8 | 179.8 | -173.1 | 0 | 0 | 0 | 0 | 111.2 | N196 A200 V201 E202 E232 A233 A236 | N196-V198 PolarHBondContact O-N 2.81Å; V198-A200 PolarHBondContact O-N 3.06Å; V198-V201 WeakPolarHBondContact O-CB 3.46Å; V198-V201 PolarHBondContact O-N 3.49Å; V198-E202 WeakPolarHBondContact O-CG 3.22Å; V198-E202 PolarHBondContact O-N 2.94Å; V198-E232 HydrophobicContact CG2-CB 3.87Å; V198-A233 HydrophobicContact CG2-CB 4.22Å; V198-A236 HydrophobicContact CG1-CB 3.88Å |
| 199 | A | 92.8 | Very high | 91.5 | Very high | 47 Ų | 47 | 32 Ų | 32 | 39% | 0.388 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -64.5 | -36.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | P165 S197 E202 V203 | P165-A199 HydrophobicContact CB-CB 4.04Å; P165-A199 HydrophobicContact CG-CB 3.81Å; S197-A199 VanDerWaalsContact C-N 3.29Å; S197-A199 PolarHBondContact O-N 3.26Å; A199-E202 PolarHBondContact O-N 3.35Å; A199-V203 WeakPolarHBondContact O-CG2 3.26Å; A199-V203 PolarHBondContact O-N 2.92Å |
| 200 | A | 92.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -71.3 | -37.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | P165 A192 S197 V198 E202 V203 L204 | P165-A200 HydrophobicContact CB-CB 4.49Å; A192-A200 HydrophobicContact CB-CB 3.9Å; S197-A200 PolarHBondContact O-N 2.99Å; S197-A200 VanDerWaalsContact O-N 3.11Å; S197-A200 VanDerWaalsContact OG-CB 3.24Å; S197-A200 WeakPolarHBondContact OG-CB 3.47Å; S197-A200 PolarHBondContact OG-N 3.22Å; V198-A200 PolarHBondContact O-N 3.06Å; A200-E202 VanDerWaalsContact C-N 3.34Å; A200-V203 PolarHBondContact O-N 2.92Å; A200-L204 VanDerWaalsContact O-CB 3.24Å; A200-L204 WeakPolarHBondContact O-CB 3.29Å; A200-L204 WeakPolarHBondContact O-CD1 3.41Å; A200-L204 WeakPolarHBondContact O-CG 3.24Å; A200-L204 PolarHBondContact O-N 3.48Å |
| 201 | V | 92.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.2 | -46.1 | 170.6 | 168.7 | 0 | 0 | 0 | 0 | 110.5 | L189 A192 A193 S197 V198 A205 L237 | L189-V201 HydrophobicContact CD1-CB 4.37Å; L189-V201 HydrophobicContact CD1-CG1 4.07Å; L189-V201 HydrophobicContact CD1-CG2 4.39Å; A192-V201 HydrophobicContact CB-CG2 3.66Å; A193-V201 HydrophobicContact CB-CG2 4.46Å; S197-V201 WeakPolarHBondContact O-CG2 3.24Å; S197-V201 PolarHBondContact O-N 3.36Å; V198-V201 WeakPolarHBondContact O-CB 3.46Å; V198-V201 PolarHBondContact O-N 3.49Å; V201-A205 VanDerWaalsContact O-CB 3.22Å; V201-A205 WeakPolarHBondContact O-CB 3.32Å; V201-A205 PolarHBondContact O-N 3.43Å; V201-L237 HydrophobicContact CG1-CB 4.41Å; V201-L237 HydrophobicContact CG1-CD1 4.07Å |
| 202 | E | 91.5 | Very high | 90.5 | Very high | 84 Ų | 84 | 40.4 Ų | 40.4 | 39% | 0.393 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.1 | -49.7 | 177.2 | -74.6 | -163.6 | 168.4 | 0 | 0 | 112.9 | V198 A199 A200 L204 A205 Q206 A236 | V198-E202 WeakPolarHBondContact O-CG 3.22Å; V198-E202 PolarHBondContact O-N 2.94Å; A199-E202 PolarHBondContact O-N 3.35Å; A200-E202 VanDerWaalsContact C-N 3.34Å; E202-L204 PolarHBondContact O-N 2.88Å; E202-A205 PolarHBondContact O-N 3.48Å; E202-Q206 WeakPolarHBondContact O-CB 3.49Å; E202-Q206 WeakPolarHBondContact O-CG 3.49Å; E202-Q206 PolarHBondContact O-N 2.99Å; E202-A236 HydrophobicContact CG-CB 3.83Å |
| 203 | V | 93.6 | Very high | 90.2 | Very high | 31 Ų | 31 | 41.4 Ų | 41.4 | 19% | 0.188 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.2 | -45.7 | 179.1 | 168 | 0 | 0 | 0 | 0 | 111 | P165 C168 A199 A200 A205 Q206 K207 | P165-V203 HydrophobicContact CB-CB 4.49Å; P165-V203 HydrophobicContact CB-CG2 3.96Å; C168-V203 HydrophobicContact CB-CG1 4.31Å; A199-V203 WeakPolarHBondContact O-CG2 3.26Å; A199-V203 PolarHBondContact O-N 2.92Å; A200-V203 PolarHBondContact O-N 2.92Å; V203-A205 PolarHBondContact O-N 3.33Å; V203-Q206 PolarHBondContact O-N 2.97Å; V203-K207 HydrophobicContact CG1-CG 4.33Å; V203-K207 WeakPolarHBondContact O-CB 3.49Å; V203-K207 WeakPolarHBondContact O-CG 3.47Å; V203-K207 PolarHBondContact O-N 3.34Å |
| 204 | L | 93 | Very high | 90.2 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 178.7 | -71.2 | 166.3 | 0 | 0 | 0 | 111.5 | L156 A160 I172 A188 L189 A192 A200 E202 K207 G208 A209 | L156-L204 HydrophobicContact CD1-CD2 4.17Å; A160-L204 HydrophobicContact CB-CD1 3.87Å; I172-L204 HydrophobicContact CD1-CD2 3.96Å; A188-L204 HydrophobicContact CB-CD1 4.26Å; A188-L204 HydrophobicContact CB-CD2 4.22Å; L189-L204 HydrophobicContact CB-CD1 4.5Å; L189-L204 HydrophobicContact CD1-CB 4.05Å; A192-L204 HydrophobicContact CB-CD1 3.9Å; A200-L204 VanDerWaalsContact O-CB 3.24Å; A200-L204 WeakPolarHBondContact O-CB 3.29Å; A200-L204 WeakPolarHBondContact O-CD1 3.41Å; A200-L204 WeakPolarHBondContact O-CG 3.24Å; A200-L204 PolarHBondContact O-N 3.48Å; E202-L204 PolarHBondContact O-N 2.88Å; L204-K207 PolarHBondContact O-N 2.84Å; L204-G208 PolarHBondContact O-N 3.44Å; L204-A209 HydrophobicContact CB-CB 4.07Å; L204-A209 WeakPolarHBondContact O-CB 3.5Å; L204-A209 PolarHBondContact O-N 3.17Å |
| 205 | A | 90.9 | Very high | 90.3 | Very high | 4 Ų | 4 | 42.3 Ų | 42.3 | 3% | 0.033 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.4 | -44.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V201 E202 V203 K207 G208 L211 A240 | V201-A205 VanDerWaalsContact O-CB 3.22Å; V201-A205 WeakPolarHBondContact O-CB 3.32Å; V201-A205 PolarHBondContact O-N 3.43Å; E202-A205 PolarHBondContact O-N 3.48Å; V203-A205 PolarHBondContact O-N 3.33Å; A205-K207 VanDerWaalsContact C-N 3.3Å; A205-K207 PolarHBondContact O-N 2.92Å; A205-G208 PolarHBondContact O-N 2.94Å; A205-L211 HydrophobicContact CB-CD2 3.98Å; A205-A240 HydrophobicContact CB-CB 3.64Å |
| 206 | Q | 90.3 | Very high | 90.5 | Very high | 121 Ų | 121 | 44.2 Ų | 44.2 | 57% | 0.565 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -61.8 | -35 | 176.1 | -73 | 175.2 | 46.3 | 0 | 0 | 112.8 | E202 V203 G208 | E202-Q206 WeakPolarHBondContact O-CB 3.49Å; E202-Q206 WeakPolarHBondContact O-CG 3.49Å; E202-Q206 PolarHBondContact O-N 2.99Å; V203-Q206 PolarHBondContact O-N 2.97Å; Q206-G208 PolarHBondContact O-N 2.89Å |
| 207 | K | 89.1 | Confident | 90.6 | Very high | 75 Ų | 75 | 47 Ų | 47 | 33% | 0.326 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 3.4 | 174.9 | -62.5 | -77 | -170.6 | 172.4 | 0 | 113.5 | S169 I172 D173 I178 V203 L204 A205 | S169-K207 WeakPolarHBondContact OG-CE 3.41Å; S169-K207 PolarHBondContact OG-NZ 2.75Å; I172-K207 HydrophobicContact CD1-CB 3.92Å; I172-K207 HydrophobicContact CD1-CG 4.01Å; I172-K207 HydrophobicContact CG2-CB 4.17Å; I172-K207 HydrophobicContact CG2-CD 3.94Å; I172-K207 HydrophobicContact CG2-CG 4.18Å; D173-K207 IonicContact OD1-NZ 2.56Å; D173-K207 PolarHBondContact OD1-NZ 2.92Å; D173-K207 IonicContact OD2-NZ 2.6Å; D173-K207 PolarHBondContact OD2-NZ 2.9Å; I178-K207 HydrophobicContact CD1-CB 3.95Å; I178-K207 VanDerWaalsContact CD1-O 3.23Å; I178-K207 WeakPolarHBondContact CD1-O 3.49Å; V203-K207 HydrophobicContact CG1-CG 4.33Å; V203-K207 WeakPolarHBondContact O-CB 3.49Å; V203-K207 WeakPolarHBondContact O-CG 3.47Å; V203-K207 PolarHBondContact O-N 3.34Å; L204-K207 PolarHBondContact O-N 2.84Å; A205-K207 VanDerWaalsContact C-N 3.3Å; A205-K207 PolarHBondContact O-N 2.92Å |
| 208 | G | 86.2 | Confident | 90.5 | Very high | 43 Ų | 43 | 48.7 Ų | 48.7 | 44% | 0.443 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90 | 28.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | L204 A205 Q206 | L204-G208 PolarHBondContact O-N 3.44Å; A205-G208 PolarHBondContact O-N 2.94Å; Q206-G208 PolarHBondContact O-N 2.89Å |
| 209 | A | 89.9 | Confident | 90.4 | Very high | 10 Ų | 10 | 49.5 Ų | 49.5 | 8% | 0.083 | 30% | 0.298 | C | S | . | . | trans | -60.2 | 148.2 | 169 | 0 | 0 | 0 | 0 | 0 | 112.2 | I178 L189 L204 L211 | I178-A209 HydrophobicContact CG2-CB 3.56Å; L189-A209 HydrophobicContact CB-CB 4.05Å; L189-A209 HydrophobicContact CD2-CB 3.89Å; L189-A209 HydrophobicContact CG-CB 4.43Å; L204-A209 HydrophobicContact CB-CB 4.07Å; L204-A209 WeakPolarHBondContact O-CB 3.5Å; L204-A209 PolarHBondContact O-N 3.17Å; A209-L211 PolarHBondContact O-N 3.02Å; A209-L211 VanDerWaalsContact O-N 3.14Å | ||
| 210 | D | 87.1 | Confident | 90.3 | Very high | 51 Ų | 51 | 50.2 Ų | 50.2 | 27% | 0.273 | 30% | 0.296 | S | S | . | . | trans | -80.4 | 99.6 | -175.1 | -155.3 | -45.2 | 0 | 0 | 0 | 111.5 | K179 S212 A213 | K179-D210 IonicContact NZ-OD2 2.54Å; K179-D210 PolarHBondContact NZ-OD2 2.8Å; D210-S212 PolarHBondContact O-N 2.96Å; D210-S212 PolarHBondContact OD1-N 3.06Å; D210-S212 PolarHBondContact OD1-OG 2.9Å; D210-A213 HydrophobicContact CB-CB 4.18Å; D210-A213 WeakPolarHBondContact O-CB 3.29Å; D210-A213 PolarHBondContact O-N 3.45Å; D210-A213 PolarHBondContact OD1-N 3.14Å | ||
| 211 | L | 87.1 | Confident | 90.2 | Very high | 34 Ų | 34 | 50.2 Ų | 50.2 | 18% | 0.178 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -17.3 | 178.4 | -46.4 | -175.8 | 0 | 0 | 0 | 112.8 | L189 A205 A209 L237 L241 | L189-L211 HydrophobicContact CD2-CD2 3.6Å; A205-L211 HydrophobicContact CB-CD2 3.98Å; A209-L211 PolarHBondContact O-N 3.02Å; A209-L211 VanDerWaalsContact O-N 3.14Å; L211-L237 HydrophobicContact CD2-CD1 3.95Å; L211-L241 HydrophobicContact CB-CD1 4.32Å; L211-L241 HydrophobicContact CD1-CB 3.84Å; L211-L241 HydrophobicContact CD1-CD1 4.04Å; L211-L241 HydrophobicContact CD1-CG 4.09Å |
| 212 | S | 86.3 | Confident | 90 | Very high | 95 Ų | 95 | 51.9 Ų | 51.9 | 66% | 0.664 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.9 | 1 | -177 | 71.6 | 0 | 0 | 0 | 0 | 114.2 | D210 | D210-S212 PolarHBondContact O-N 2.96Å; D210-S212 PolarHBondContact OD1-N 3.06Å; D210-S212 PolarHBondContact OD1-OG 2.9Å |
| 213 | A | 89 | Confident | 89.9 | Confident | 20 Ų | 20 | 51.2 Ų | 51.2 | 17% | 0.165 | 30% | 0.303 | C | S | . | . | trans | -60.4 | 145.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | T187 M190 D210 | T187-A213 HydrophobicContact CG2-CB 3.97Å; M190-A213 HydrophobicContact CE-CB 3.84Å; M190-A213 WeakPolarHBondContact CE-O 3.47Å; D210-A213 HydrophobicContact CB-CB 4.18Å; D210-A213 WeakPolarHBondContact O-CB 3.29Å; D210-A213 PolarHBondContact O-N 3.45Å; D210-A213 PolarHBondContact OD1-N 3.14Å | ||
| 214 | V | 92 | Very high | 89.6 | Confident | 88 Ų | 88 | 50.4 Ų | 50.4 | 53% | 0.533 | 30% | 0.296 | S | S | . | . | B | Isolated β-bridge | trans | -126.4 | 146.4 | 172.2 | -66.7 | 0 | 0 | 0 | 0 | 110.4 | R219 D220 | V214-R219 CarbonylContact C-O 3.56Å; V214-R219 VanDerWaalsContact CA-O 3.26Å; V214-R219 WeakPolarHBondContact CA-O 3.48Å; V214-D220 HydrophobicContact CG1-CB 4.12Å |
| 215 | D | 93 | Very high | 89.3 | Confident | 9 Ų | 9 | 50.4 Ų | 50.4 | 5% | 0.048 | 30% | 0.296 | C | S | . | . | trans | -80.5 | -176.6 | 178.9 | 86.4 | -18.7 | 0 | 0 | 0 | 112.8 | R184 R186 M190 E217 G218 R219 Y224 | R184-D215 WeakPolarHBondContact O-CB 3.43Å; R186-D215 HydrophobicContact CG-CB 3.73Å; M190-D215 HydrophobicContact SD-CB 4.16Å; D215-E217 PolarHBondContact O-N 3.4Å; D215-E217 VanDerWaalsContact O-N 3.17Å; D215-E217 WeakPolarHBondContact OD1-CA 3.35Å; D215-E217 PolarHBondContact OD1-N 2.98Å; D215-G218 PolarHBondContact O-N 3.11Å; D215-G218 PolarHBondContact OD1-N 3.28Å; D215-R219 PolarHBondContact N-O 3.33Å; D215-R219 WeakPolarHBondContact OD1-CB 3.2Å; D215-R219 PolarHBondContact OD1-N 2.88Å; D215-R219 IonicContact OD1-NE 3.77Å; D215-R219 IonicContact OD2-CZ 2.88Å; D215-R219 IonicContact OD2-NE 3.97Å; D215-R219 PolarHBondContact OD2-NE 3.17Å; D215-R219 IonicContact OD2-NH2 2.65Å; D215-R219 PolarHBondContact OD2-NH2 3.31Å; D215-Y224 PolarHBondContact OD2-OH 3.19Å | ||
| 216 | S | 92.4 | Very high | 89.1 | Confident | 88 Ų | 88 | 56.3 Ų | 56.3 | 62% | 0.615 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -12.4 | 179.9 | 62.8 | 0 | 0 | 0 | 0 | 114.9 | R184 | R184-S216 WeakPolarHBondContact O-CB 3.31Å; R184-S216 PolarHBondContact O-N 2.84Å; R184-S216 PolarHBondContact O-OG 3.3Å |
| 217 | E | 89.8 | Confident | 88.9 | Confident | 130 Ų | 130 | 57.1 Ų | 57.1 | 61% | 0.607 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | 0.9 | 175 | -68.3 | 175.4 | -119.2 | 0 | 0 | 112.1 | D215 R219 | D215-E217 PolarHBondContact O-N 3.4Å; D215-E217 VanDerWaalsContact O-N 3.17Å; D215-E217 WeakPolarHBondContact OD1-CA 3.35Å; D215-E217 PolarHBondContact OD1-N 2.98Å; E217-R219 IonicContact OE1-CZ 2.79Å; E217-R219 IonicContact OE1-NH1 3.11Å; E217-R219 PolarHBondContact OE1-NH1 3.4Å; E217-R219 IonicContact OE1-NH2 2.86Å; E217-R219 PolarHBondContact OE1-NH2 3.26Å; E217-R219 IonicContact OE2-CZ 2.63Å; E217-R219 IonicContact OE2-NH1 2.59Å; E217-R219 PolarHBondContact OE2-NH1 3.48Å; E217-R219 IonicContact OE2-NH2 2.72Å |
| 218 | G | 89.1 | Confident | 88.6 | Confident | 54 Ų | 54 | 55.3 Ų | 55.3 | 56% | 0.557 | 32% | 0.323 | S | S | * | . | S | Bend | trans | 82.2 | 16.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | D215 | D215-G218 PolarHBondContact O-N 3.11Å; D215-G218 PolarHBondContact OD1-N 3.28Å |
| 219 | R | 90.9 | Very high | 88.1 | Confident | 55 Ų | 55 | 56.4 Ų | 56.4 | 21% | 0.208 | 34% | 0.335 | C | S | . | . | trans | -82 | 130 | 176.4 | -62.3 | 179.2 | -71.9 | -124.4 | -2.5 | 110.5 | V214 D215 E217 H223 Y224 | V214-R219 CarbonylContact C-O 3.56Å; V214-R219 VanDerWaalsContact CA-O 3.26Å; V214-R219 WeakPolarHBondContact CA-O 3.48Å; D215-R219 PolarHBondContact N-O 3.33Å; D215-R219 WeakPolarHBondContact OD1-CB 3.2Å; D215-R219 PolarHBondContact OD1-N 2.88Å; D215-R219 IonicContact OD1-NE 3.77Å; D215-R219 IonicContact OD2-CZ 2.88Å; D215-R219 IonicContact OD2-NE 3.97Å; D215-R219 PolarHBondContact OD2-NE 3.17Å; D215-R219 IonicContact OD2-NH2 2.65Å; D215-R219 PolarHBondContact OD2-NH2 3.31Å; E217-R219 IonicContact OE1-CZ 2.79Å; E217-R219 IonicContact OE1-NH1 3.11Å; E217-R219 PolarHBondContact OE1-NH1 3.4Å; E217-R219 IonicContact OE1-NH2 2.86Å; E217-R219 PolarHBondContact OE1-NH2 3.26Å; E217-R219 IonicContact OE2-CZ 2.63Å; E217-R219 IonicContact OE2-NH1 2.59Å; E217-R219 PolarHBondContact OE2-NH1 3.48Å; E217-R219 IonicContact OE2-NH2 2.72Å; R219-H223 HydrophobicContact CB-CB 4.17Å; R219-H223 VanDerWaalsContact CD-CD2 3.44Å; R219-H223 WeakPolarHBondContact CD-CD2 3.38Å; R219-H223 WeakPolarHBondContact CD-NE2 3.24Å; R219-Y224 HydrophobicContact CB-CE2 4Å; R219-Y224 PolarHBondContact NE-OH 3.14Å; R219-Y224 VanDerWaalsContact NE-OH 3.08Å; R219-Y224 PolarHBondContact NH2-OH 3.42Å | ||
| 220 | D | 90.8 | Very high | 87.4 | Confident | 63 Ų | 63 | 56.2 Ų | 56.2 | 34% | 0.337 | 33% | 0.333 | S | S | . | . | B | Isolated β-bridge | trans | -87.7 | 173.2 | 173.7 | 65.8 | -9.2 | 0 | 0 | 0 | 112 | V214 V222 H223 Y224 | V214-D220 HydrophobicContact CG1-CB 4.12Å; D220-V222 PolarHBondContact O-N 3.28Å; D220-H223 WeakPolarHBondContact O-CB 3.43Å; D220-H223 PolarHBondContact O-N 3.1Å; D220-H223 VanDerWaalsContact OD1-CB 3.3Å; D220-H223 WeakPolarHBondContact OD1-CB 3.45Å; D220-H223 PolarHBondContact OD1-N 2.84Å; D220-Y224 WeakPolarHBondContact O-CD2 3.5Å; D220-Y224 PolarHBondContact O-N 2.91Å |
| 221 | V | 89.4 | Confident | 87.1 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.2 | -34.8 | 175.1 | -174.2 | 0 | 0 | 0 | 0 | 111.5 | L189 M190 A193 H223 Y224 T225 L237 | L189-V221 HydrophobicContact CD2-CG1 4.16Å; L189-V221 HydrophobicContact CD2-CG2 3.87Å; L189-V221 HydrophobicContact CG-CG1 3.86Å; L189-V221 HydrophobicContact CG-CG2 4.08Å; M190-V221 HydrophobicContact CE-CG2 4.4Å; M190-V221 HydrophobicContact CG-CG2 3.9Å; A193-V221 HydrophobicContact CB-CG1 3.98Å; V221-H223 VanDerWaalsContact C-N 3.33Å; V221-H223 PolarHBondContact O-N 3.45Å; V221-Y224 PolarHBondContact O-N 2.99Å; V221-Y224 VanDerWaalsContact O-N 3.13Å; V221-T225 PolarHBondContact O-N 3.13Å; V221-L237 HydrophobicContact CB-CD2 4.2Å; V221-L237 HydrophobicContact CG1-CD1 3.73Å; V221-L237 HydrophobicContact CG1-CD2 3.83Å; V221-L237 HydrophobicContact CG1-CG 4.47Å |
| 222 | V | 88.5 | Confident | 86.8 | Confident | 34 Ų | 34 | 62.6 Ų | 62.6 | 21% | 0.206 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -67.3 | -32.4 | -179.8 | -172.4 | 0 | 0 | 0 | 0 | 111.9 | D220 T225 K226 L237 | D220-V222 PolarHBondContact O-N 3.28Å; V222-T225 PolarHBondContact O-OG1 2.85Å; V222-T225 VanDerWaalsContact O-OG1 3.07Å; V222-K226 HydrophobicContact CG1-CD 4.22Å; V222-K226 WeakPolarHBondContact O-CB 3.31Å; V222-K226 WeakPolarHBondContact O-CD 3.25Å; V222-K226 VanDerWaalsContact O-CG 3.26Å; V222-K226 WeakPolarHBondContact O-CG 3.26Å; V222-K226 PolarHBondContact O-N 3.3Å; V222-K226 VanDerWaalsContact O-N 3.16Å; V222-L237 HydrophobicContact CG2-CD2 3.86Å |
| 223 | H | 88.4 | Confident | 86.5 | Confident | 71 Ų | 71 | 58 Ų | 58 | 33% | 0.329 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.4 | -45.2 | 170.3 | -178.7 | 98.6 | 0 | 0 | 0 | 110.8 | R219 D220 V221 K226 M227 | R219-H223 HydrophobicContact CB-CB 4.17Å; R219-H223 VanDerWaalsContact CD-CD2 3.44Å; R219-H223 WeakPolarHBondContact CD-CD2 3.38Å; R219-H223 WeakPolarHBondContact CD-NE2 3.24Å; D220-H223 WeakPolarHBondContact O-CB 3.43Å; D220-H223 PolarHBondContact O-N 3.1Å; D220-H223 VanDerWaalsContact OD1-CB 3.3Å; D220-H223 WeakPolarHBondContact OD1-CB 3.45Å; D220-H223 PolarHBondContact OD1-N 2.84Å; V221-H223 VanDerWaalsContact C-N 3.33Å; V221-H223 PolarHBondContact O-N 3.45Å; H223-K226 PolarHBondContact O-N 3.05Å; H223-M227 WeakPolarHBondContact NE2-CG 3.46Å; H223-M227 WeakPolarHBondContact O-CB 3.3Å; H223-M227 WeakPolarHBondContact O-CG 3.37Å; H223-M227 PolarHBondContact O-N 3.42Å |
| 224 | Y | 88 | Confident | 86.2 | Confident | 13 Ų | 13 | 60 Ų | 60 | 5% | 0.051 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.6 | -43.9 | 178.8 | -74.4 | -74.3 | 0 | 0 | 0 | 112.8 | R186 M190 E194 D215 R219 D220 V221 K226 M227 S228 | R186-Y224 WeakPolarHBondContact CD-OH 3.2Å; M190-Y224 HydrophobicContact CB-CD2 3.84Å; M190-Y224 HydrophobicContact CB-CE2 4.06Å; M190-Y224 HydrophobicContact CB-CG 4.44Å; M190-Y224 HydrophobicContact CG-CD2 3.98Å; M190-Y224 HydrophobicContact CG-CE2 4.18Å; M190-Y224 HydrophobicContact SD-CD2 4.48Å; M190-Y224 HydrophobicContact SD-CE2 4.12Å; E194-Y224 HydrophobicContact CB-CD1 3.89Å; E194-Y224 HydrophobicContact CG-CD1 4.24Å; E194-Y224 WeakPolarHBondContact OE1-CE1 3.44Å; D215-Y224 PolarHBondContact OD2-OH 3.19Å; R219-Y224 HydrophobicContact CB-CE2 4Å; R219-Y224 PolarHBondContact NE-OH 3.14Å; R219-Y224 VanDerWaalsContact NE-OH 3.08Å; R219-Y224 PolarHBondContact NH2-OH 3.42Å; D220-Y224 WeakPolarHBondContact O-CD2 3.5Å; D220-Y224 PolarHBondContact O-N 2.91Å; V221-Y224 PolarHBondContact O-N 2.99Å; V221-Y224 VanDerWaalsContact O-N 3.13Å; Y224-K226 VanDerWaalsContact C-N 3.26Å; Y224-K226 PolarHBondContact O-N 2.85Å; Y224-M227 PolarHBondContact O-N 2.91Å; Y224-S228 PolarHBondContact O-N 3.4Å; Y224-S228 PolarHBondContact O-OG 2.93Å; Y224-S228 VanDerWaalsContact O-OG 3.11Å |
| 225 | T | 87.8 | Confident | 85.8 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.8 | -31.9 | 175.6 | 60.3 | 0 | 0 | 0 | 0 | 112.8 | A193 V221 V222 S228 G229 S230 A233 L237 | A193-T225 HydrophobicContact CB-CG2 3.63Å; V221-T225 PolarHBondContact O-N 3.13Å; V222-T225 PolarHBondContact O-OG1 2.85Å; V222-T225 VanDerWaalsContact O-OG1 3.07Å; T225-S228 PolarHBondContact O-OG 2.9Å; T225-G229 PolarHBondContact O-N 3.42Å; T225-S230 PolarHBondContact O-N 3.03Å; T225-S230 VanDerWaalsContact O-N 3.15Å; T225-A233 HydrophobicContact CG2-CB 4.07Å; T225-L237 HydrophobicContact CG2-CD2 4.38Å |
| 226 | K | 86.3 | Confident | 85.3 | Confident | 128 Ų | 128 | 59.7 Ų | 59.7 | 56% | 0.557 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -73.7 | -39.1 | 174.9 | -73.8 | 167.5 | -178.5 | 163.5 | 0 | 112.3 | V222 H223 Y224 G229 | V222-K226 HydrophobicContact CG1-CD 4.22Å; V222-K226 WeakPolarHBondContact O-CB 3.31Å; V222-K226 WeakPolarHBondContact O-CD 3.25Å; V222-K226 VanDerWaalsContact O-CG 3.26Å; V222-K226 WeakPolarHBondContact O-CG 3.26Å; V222-K226 PolarHBondContact O-N 3.3Å; V222-K226 VanDerWaalsContact O-N 3.16Å; H223-K226 PolarHBondContact O-N 3.05Å; Y224-K226 VanDerWaalsContact C-N 3.26Å; Y224-K226 PolarHBondContact O-N 2.85Å; K226-G229 PolarHBondContact O-N 3.02Å |
| 227 | M | 84.9 | Confident | 84.8 | Confident | 138 Ų | 138 | 55.7 Ų | 55.7 | 68% | 0.68 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -69.6 | -32.7 | 178.5 | -75.6 | -59.7 | -58.3 | 0 | 0 | 112.8 | H223 Y224 G229 | H223-M227 WeakPolarHBondContact NE2-CG 3.46Å; H223-M227 WeakPolarHBondContact O-CB 3.3Å; H223-M227 WeakPolarHBondContact O-CG 3.37Å; H223-M227 PolarHBondContact O-N 3.42Å; Y224-M227 PolarHBondContact O-N 2.91Å; M227-G229 PolarHBondContact O-N 3.43Å |
| 228 | S | 82.8 | Confident | 84.4 | Confident | 37 Ų | 37 | 53.3 Ų | 53.3 | 26% | 0.259 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -2.6 | 171.6 | 58.4 | 0 | 0 | 0 | 0 | 113.8 | A193 Y224 T225 S230 | A193-S228 WeakPolarHBondContact O-CB 3.32Å; A193-S228 PolarHBondContact O-OG 3.04Å; Y224-S228 PolarHBondContact O-N 3.4Å; Y224-S228 PolarHBondContact O-OG 2.93Å; Y224-S228 VanDerWaalsContact O-OG 3.11Å; T225-S228 PolarHBondContact O-OG 2.9Å; S228-S230 PolarHBondContact O-N 3.33Å |
| 229 | G | 77.3 | Confident | 84 | Confident | 66 Ų | 66 | 53 Ų | 53 | 68% | 0.68 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.6 | 10.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | T225 K226 M227 S231 | T225-G229 PolarHBondContact O-N 3.42Å; K226-G229 PolarHBondContact O-N 3.02Å; M227-G229 PolarHBondContact O-N 3.43Å; G229-S231 PolarHBondContact O-N 3.43Å |
| 230 | S | 74.3 | Confident | 83.4 | Confident | 7 Ų | 7 | 51 Ų | 51 | 5% | 0.049 | 29% | 0.293 | C | S | . | . | trans | -88 | 101.8 | -168.3 | -173.1 | 0 | 0 | 0 | 0 | 113.1 | N196 T225 S228 E232 A233 Q234 | N196-S230 WeakPolarHBondContact OD1-CB 3.39Å; N196-S230 PolarHBondContact OD1-OG 3.27Å; T225-S230 PolarHBondContact O-N 3.03Å; T225-S230 VanDerWaalsContact O-N 3.15Å; S228-S230 PolarHBondContact O-N 3.33Å; S230-E232 PolarHBondContact O-N 3.19Å; S230-A233 VanDerWaalsContact OG-CB 3.28Å; S230-A233 WeakPolarHBondContact OG-CB 3.43Å; S230-A233 PolarHBondContact OG-N 3.27Å; S230-Q234 VanDerWaalsContact O-CB 3.31Å; S230-Q234 WeakPolarHBondContact O-CB 3.48Å; S230-Q234 PolarHBondContact O-N 2.85Å; S230-Q234 VanDerWaalsContact O-N 3.13Å | ||
| 231 | S | 80.8 | Confident | 82.6 | Confident | 86 Ų | 86 | 52.3 Ų | 52.3 | 60% | 0.601 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -59.2 | -37.4 | 168.4 | -167.9 | 0 | 0 | 0 | 0 | 111.4 | G229 Q234 T235 | G229-S231 PolarHBondContact O-N 3.43Å; S231-Q234 PolarHBondContact O-N 3.4Å; S231-T235 WeakPolarHBondContact O-CG2 3.3Å; S231-T235 PolarHBondContact O-N 3.17Å; S231-T235 PolarHBondContact O-OG1 3.05Å |
| 232 | E | 81.3 | Confident | 81.6 | Confident | 132 Ų | 132 | 58.1 Ų | 58.1 | 62% | 0.617 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -74.3 | -44.4 | -175.6 | -69.6 | 151.7 | -153.4 | 0 | 0 | 112.8 | V198 S230 Q234 T235 A236 | V198-E232 HydrophobicContact CG2-CB 3.87Å; S230-E232 PolarHBondContact O-N 3.19Å; E232-Q234 PolarHBondContact O-N 3Å; E232-T235 WeakPolarHBondContact CA-OG1 3.47Å; E232-T235 PolarHBondContact O-N 2.93Å; E232-T235 PolarHBondContact O-OG1 2.96Å; E232-T235 VanDerWaalsContact O-OG1 3.06Å; E232-A236 VanDerWaalsContact O-CB 3.29Å; E232-A236 WeakPolarHBondContact O-CB 3.39Å; E232-A236 PolarHBondContact O-N 3.17Å |
| 233 | A | 79.6 | Confident | 80.4 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.9 | -33.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | V198 T225 S230 L237 | V198-A233 HydrophobicContact CG2-CB 4.22Å; T225-A233 HydrophobicContact CG2-CB 4.07Å; S230-A233 VanDerWaalsContact OG-CB 3.28Å; S230-A233 WeakPolarHBondContact OG-CB 3.43Å; S230-A233 PolarHBondContact OG-N 3.27Å; A233-L237 VanDerWaalsContact O-CB 3.26Å; A233-L237 WeakPolarHBondContact O-CB 3.26Å; A233-L237 PolarHBondContact O-N 2.64Å |
| 234 | Q | 82.6 | Confident | 78.7 | Confident | 62 Ų | 62 | 68.1 Ų | 68.1 | 29% | 0.29 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -70.1 | -40.7 | 175.4 | -168.9 | -179.7 | -26.2 | 0 | 0 | 112.4 | S230 S231 E232 L238 | S230-Q234 VanDerWaalsContact O-CB 3.31Å; S230-Q234 WeakPolarHBondContact O-CB 3.48Å; S230-Q234 PolarHBondContact O-N 2.85Å; S230-Q234 VanDerWaalsContact O-N 3.13Å; S231-Q234 PolarHBondContact O-N 3.4Å; E232-Q234 PolarHBondContact O-N 3Å; Q234-L238 HydrophobicContact CG-CD1 4.23Å; Q234-L238 WeakPolarHBondContact O-CB 3.32Å; Q234-L238 VanDerWaalsContact O-CG 3.24Å; Q234-L238 WeakPolarHBondContact O-CG 3.44Å; Q234-L238 PolarHBondContact O-N 2.83Å |
| 235 | T | 83.9 | Confident | 76.4 | Confident | 81 Ų | 81 | 72 Ų | 72 | 50% | 0.497 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -70.1 | -38.4 | 175.2 | 51.5 | 0 | 0 | 0 | 0 | 112.1 | S231 E232 L238 A239 | S231-T235 WeakPolarHBondContact O-CG2 3.3Å; S231-T235 PolarHBondContact O-N 3.17Å; S231-T235 PolarHBondContact O-OG1 3.05Å; E232-T235 WeakPolarHBondContact CA-OG1 3.47Å; E232-T235 PolarHBondContact O-N 2.93Å; E232-T235 PolarHBondContact O-OG1 2.96Å; E232-T235 VanDerWaalsContact O-OG1 3.06Å; T235-L238 PolarHBondContact O-N 3.42Å; T235-A239 VanDerWaalsContact O-CB 3.29Å; T235-A239 WeakPolarHBondContact O-CB 3.11Å; T235-A239 PolarHBondContact O-N 2.83Å |
| 236 | A | 81.5 | Confident | 73.8 | Confident | 8 Ų | 8 | 79.6 Ų | 79.6 | 7% | 0.066 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -60 | -46.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V198 E202 E232 L238 A239 A240 | V198-A236 HydrophobicContact CG1-CB 3.88Å; E202-A236 HydrophobicContact CG-CB 3.83Å; E232-A236 VanDerWaalsContact O-CB 3.29Å; E232-A236 WeakPolarHBondContact O-CB 3.39Å; E232-A236 PolarHBondContact O-N 3.17Å; A236-L238 PolarHBondContact O-N 2.83Å; A236-A239 PolarHBondContact O-N 2.96Å; A236-A240 PolarHBondContact O-N 3.11Å |
| 237 | L | 82.4 | Confident | 71.2 | Confident | 4 Ų | 4 | 82.5 Ų | 82.5 | 2% | 0.021 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -61.6 | -43.3 | 175.8 | -166.5 | 79.8 | 0 | 0 | 0 | 111.8 | L189 V201 L211 V221 V222 T225 A233 A240 L241 | L189-L237 HydrophobicContact CD1-CD1 4.35Å; L189-L237 HydrophobicContact CD2-CD1 4.33Å; V201-L237 HydrophobicContact CG1-CB 4.41Å; V201-L237 HydrophobicContact CG1-CD1 4.07Å; L211-L237 HydrophobicContact CD2-CD1 3.95Å; V221-L237 HydrophobicContact CB-CD2 4.2Å; V221-L237 HydrophobicContact CG1-CD1 3.73Å; V221-L237 HydrophobicContact CG1-CD2 3.83Å; V221-L237 HydrophobicContact CG1-CG 4.47Å; V222-L237 HydrophobicContact CG2-CD2 3.86Å; T225-L237 HydrophobicContact CG2-CD2 4.38Å; A233-L237 VanDerWaalsContact O-CB 3.26Å; A233-L237 WeakPolarHBondContact O-CB 3.26Å; A233-L237 PolarHBondContact O-N 2.64Å; L237-A240 PolarHBondContact O-N 3.24Å; L237-L241 WeakPolarHBondContact O-CB 3.35Å; L237-L241 PolarHBondContact O-N 3.12Å |
| 238 | L | 81.6 | Confident | 68.7 | Low | 81 Ų | 81 | 82.3 Ų | 82.3 | 42% | 0.424 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -67.1 | -36.1 | 175.9 | -73 | 169 | 0 | 0 | 0 | 112.5 | Q234 T235 A236 L241 N242 | Q234-L238 HydrophobicContact CG-CD1 4.23Å; Q234-L238 WeakPolarHBondContact O-CB 3.32Å; Q234-L238 VanDerWaalsContact O-CG 3.24Å; Q234-L238 WeakPolarHBondContact O-CG 3.44Å; Q234-L238 PolarHBondContact O-N 2.83Å; T235-L238 PolarHBondContact O-N 3.42Å; A236-L238 PolarHBondContact O-N 2.83Å; L238-L241 PolarHBondContact O-N 2.79Å; L238-N242 WeakPolarHBondContact O-CB 3.14Å; L238-N242 VanDerWaalsContact O-CG 3.26Å; L238-N242 PolarHBondContact O-N 3.18Å; L238-N242 PolarHBondContact O-ND2 2.94Å; L238-N242 VanDerWaalsContact O-ND2 3.12Å |
| 239 | A | 81.2 | Confident | 66.2 | Low | 46 Ų | 46 | 85.4 Ų | 85.4 | 38% | 0.38 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.4 | -40.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | T235 A236 N242 R243 | T235-A239 VanDerWaalsContact O-CB 3.29Å; T235-A239 WeakPolarHBondContact O-CB 3.11Å; T235-A239 PolarHBondContact O-N 2.83Å; A236-A239 PolarHBondContact O-N 2.96Å; A239-N242 PolarHBondContact O-N 3.45Å; A239-R243 WeakPolarHBondContact O-CG 3.47Å; A239-R243 PolarHBondContact O-N 3.27Å |
| 240 | A | 77.4 | Confident | 63.8 | Low | 13 Ų | 13 | 92.1 Ų | 92.1 | 11% | 0.107 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -65 | -42.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A205 A236 L237 N242 R243 H244 | A205-A240 HydrophobicContact CB-CB 3.64Å; A236-A240 PolarHBondContact O-N 3.11Å; L237-A240 PolarHBondContact O-N 3.24Å; A240-N242 VanDerWaalsContact C-N 3.31Å; A240-N242 PolarHBondContact O-N 2.99Å; A240-R243 WeakPolarHBondContact O-CB 2.89Å; A240-R243 PolarHBondContact O-N 3.47Å; A240-R243 VanDerWaalsContact O-N 3.08Å; A240-H244 PolarHBondContact O-CD2 2.85Å |
| 241 | L | 73.7 | Confident | 61.5 | Low | 91 Ų | 91 | 96.9 Ų | 96.9 | 48% | 0.476 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.9 | -37.6 | 177 | -159 | 137.5 | 0 | 0 | 0 | 111.7 | L211 L237 L238 R243 | L211-L241 HydrophobicContact CB-CD1 4.32Å; L211-L241 HydrophobicContact CD1-CB 3.84Å; L211-L241 HydrophobicContact CD1-CD1 4.04Å; L211-L241 HydrophobicContact CD1-CG 4.09Å; L237-L241 WeakPolarHBondContact O-CB 3.35Å; L237-L241 PolarHBondContact O-N 3.12Å; L238-L241 PolarHBondContact O-N 2.79Å; L241-R243 VanDerWaalsContact C-N 3.35Å |
| 242 | N | 68.4 | Low | 59.1 | Low | 123 Ų | 123 | 99 Ų | 99 | 66% | 0.658 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -74.6 | -16.7 | 173.8 | -72.4 | -33.3 | 0 | 0 | 0 | 114.3 | L238 A239 A240 H244 | L238-N242 WeakPolarHBondContact O-CB 3.14Å; L238-N242 VanDerWaalsContact O-CG 3.26Å; L238-N242 PolarHBondContact O-N 3.18Å; L238-N242 PolarHBondContact O-ND2 2.94Å; L238-N242 VanDerWaalsContact O-ND2 3.12Å; A239-N242 PolarHBondContact O-N 3.45Å; A240-N242 VanDerWaalsContact C-N 3.31Å; A240-N242 PolarHBondContact O-N 2.99Å; N242-H244 VanDerWaalsContact C-N 3.32Å |
| 243 | R | 63.9 | Low | 56.7 | Low | 175 Ų | 175 | 103.8 Ų | 103.8 | 66% | 0.66 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -8.5 | 174.5 | -81.8 | 176.1 | 177.2 | 168.7 | 1.9 | 113.7 | A239 A240 L241 P245 | A239-R243 WeakPolarHBondContact O-CG 3.47Å; A239-R243 PolarHBondContact O-N 3.27Å; A240-R243 WeakPolarHBondContact O-CB 2.89Å; A240-R243 PolarHBondContact O-N 3.47Å; A240-R243 VanDerWaalsContact O-N 3.08Å; L241-R243 VanDerWaalsContact C-N 3.35Å; R243-P245 WeakPolarHBondContact O-CD 3.44Å |
| 244 | H | 52 | Low | 54.6 | Low | 139 Ų | 139 | 108.7 Ų | 108.7 | 64% | 0.644 | 58% | 0.58 | S | S | * | * | trans | -115.6 | 55.7 | -177.8 | -73.7 | -69.5 | 0 | 0 | 0 | 116.7 | A240 N242 | A240-H244 PolarHBondContact O-CD2 2.85Å; N242-H244 VanDerWaalsContact C-N 3.32Å | ||
| 245 | P | 41.5 | Very low | 52.3 | Low | 96 Ų | 96 | 111 Ų | 111 | 62% | 0.623 | 60% | 0.601 | S | S | * | * | trans | -85.9 | 143.3 | 160.4 | 34.9 | -30.8 | 0 | 0 | 0 | 111.9 | R243 | R243-P245 WeakPolarHBondContact O-CD 3.44Š| ||
| 246 | L | 31.9 | Very low | 49.6 | Very low | 158 Ų | 158 | 115.2 Ų | 115.2 | 83% | 0.827 | 62% | 0.615 | S | S | * | * | trans | 69.2 | 74.3 | 165.7 | -55.5 | 174.3 | 0 | 0 | 0 | 118.5 | ||||
| 247 | L | 32.8 | Very low | 47 | Very low | 190 Ų | 190 | 122.3 Ų | 122.3 | 100% | 0.995 | 65% | 0.646 | S | S | * | * | trans | -116.9 | 87.8 | 134.5 | -87.8 | 175.8 | 0 | 0 | 0 | 108.8 | ||||
| 248 | D | 32.8 | Very low | 44.5 | Very low | 133 Ų | 133 | 127.4 Ų | 127.4 | 71% | 0.711 | 67% | 0.674 | S | S | * | * | trans | -126.8 | 112.7 | 178.4 | -170.4 | 8.3 | 0 | 0 | 0 | 111.9 | ||||
| 249 | S | 28.8 | Very low | 41.9 | Very low | 103 Ų | 103 | 132.4 Ų | 132.4 | 72% | 0.72 | 70% | 0.695 | S | S | * | * | trans | 170.2 | 91.8 | 137.7 | 43.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 250 | K | 27 | Very low | 39.3 | Very low | 206 Ų | 206 | 136.2 Ų | 136.2 | 90% | 0.896 | 71% | 0.713 | S | S | * | * | trans | 176.8 | 74.2 | 140.3 | -97 | 156.2 | -170.9 | 172.5 | 0 | 112.5 | ||||
| 251 | S | 27.2 | Very low | 37 | Very low | 107 Ų | 107 | 139.9 Ų | 139.9 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | trans | -92.2 | 120.4 | 153.8 | 52.7 | 0 | 0 | 0 | 0 | 109.3 | R253 | S251-R253 PolarHBondContact O-N 3.31Š| ||
| 252 | P | 30.7 | Very low | 34.8 | Very low | 130 Ų | 130 | 144.4 Ų | 144.4 | 84% | 0.844 | 76% | 0.759 | S | S | * | * | trans | -86.7 | 104.7 | 176.9 | 31.6 | -31.3 | 0 | 0 | 0 | 110.8 | S254 | P252-S254 PolarHBondContact O-N 3.42Š| ||
| 253 | R | 29.5 | Very low | 32.8 | Very low | 234 Ų | 234 | 145.1 Ų | 145.1 | 88% | 0.883 | 76% | 0.762 | S | S | * | * | trans | -79.2 | 111 | 168.5 | -93.3 | -175.4 | 171.3 | 165.4 | -0.9 | 111.4 | S251 | S251-R253 PolarHBondContact O-N 3.31Š| ||
| 254 | S | 35.7 | Very low | 31 | Very low | 102 Ų | 102 | 141.1 Ų | 141.1 | 71% | 0.713 | 76% | 0.761 | S | S | * | * | trans | 29.7 | 122.7 | 140.8 | 60.2 | 0 | 0 | 0 | 0 | 120.3 | P252 | P252-S254 PolarHBondContact O-N 3.42Š| ||
| 255 | P | 34.2 | Very low | 29.9 | Very low | 111 Ų | 111 | 141.4 Ų | 141.4 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | trans | -105 | 138.9 | 161.2 | 35.2 | -27.2 | 0 | 0 | 0 | 114.4 | ||||
| 256 | Q | 27 | Very low | 29.2 | Very low | 170 Ų | 170 | 144.4 Ų | 144.4 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | 72.1 | 151.7 | 151.4 | -66.1 | 163.6 | -7.7 | 0 | 0 | 118.8 | ||||
| 257 | H | 28.4 | Very low | 29 | Very low | 157 Ų | 157 | 146.9 Ų | 146.9 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | cis | -145 | 164.1 | 5.6 | -137 | -48.2 | 0 | 0 | 0 | 113.6 | ||||
| 258 | D | 28.5 | Very low | 28.7 | Very low | 111 Ų | 111 | 144.4 Ų | 144.4 | 59% | 0.594 | 76% | 0.758 | S | S | * | * | trans | -71.2 | 155.5 | -173.5 | -43.7 | -102.1 | 0 | 0 | 0 | 118.1 | ||||
| 259 | Q | 28.4 | Very low | 28.5 | Very low | 185 Ų | 185 | 144.5 Ų | 144.5 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | -174.8 | 118.3 | 105.8 | -96.1 | 157.4 | 98.6 | 0 | 0 | 111.4 | |||||
| 260 | V | 25.9 | Very low | 28.4 | Very low | 127 Ų | 127 | 145.6 Ų | 145.6 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | 81.6 | 94.4 | 78.4 | 174.3 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 261 | A | 29.3 | Very low | 29.2 | Very low | 90 Ų | 90 | 140.5 Ų | 140.5 | 74% | 0.744 | 75% | 0.754 | S | S | * | * | trans | -163.7 | 117.3 | 145.3 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 262 | K | 27.8 | Very low | 29.3 | Very low | 185 Ų | 185 | 144.4 Ų | 144.4 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | 49.7 | 131.6 | 72.9 | -70.5 | -168.7 | 176.2 | -178.2 | 0 | 113.8 | |||||
| 263 | L | 25.8 | Very low | 29.3 | Very low | 139 Ų | 139 | 146.9 Ų | 146.9 | 73% | 0.728 | 76% | 0.755 | S | S | * | * | cis | -172.4 | 149.9 | -12.9 | -121.2 | 171.9 | 0 | 0 | 0 | 106.6 | ||||
| 264 | S | 26.6 | Very low | 29.3 | Very low | 90 Ų | 90 | 146.7 Ų | 146.7 | 63% | 0.629 | 75% | 0.754 | S | S | * | * | trans | 57.4 | 178.8 | 152.1 | 73.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 265 | D | 28.4 | Very low | 29 | Very low | 145 Ų | 145 | 150.7 Ų | 150.7 | 78% | 0.775 | 76% | 0.759 | S | S | * | * | cis | -150.1 | 177.3 | 14.9 | -127.2 | -46.4 | 0 | 0 | 0 | 114.8 | ||||
| 266 | E | 26 | Very low | 28.7 | Very low | 160 Ų | 160 | 149.8 Ų | 149.8 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | -69.5 | 152.1 | 176.1 | -70.5 | -158.4 | 102.3 | 0 | 0 | 114.8 | ||||
| 267 | R | 28.4 | Very low | 30.2 | Very low | 209 Ų | 209 | 147 Ų | 147 | 79% | 0.789 | 76% | 0.757 | S | S | * | * | trans | 9.2 | 124 | 142 | -160 | -156.5 | -60.6 | -146.1 | -1.9 | 117.8 | ||||
| 268 | I | 26.8 | Very low | 30.7 | Very low | 139 Ų | 139 | 145.2 Ų | 145.2 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | 159 | 130.9 | 128 | -83.4 | 169.6 | 0 | 0 | 0 | 113.8 | |||||
| 269 | T | 27.8 | Very low | 32 | Very low | 134 Ų | 134 | 145.2 Ų | 145.2 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | trans | 66.6 | 136 | 164 | 48.6 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 270 | T | 26.5 | Very low | 32.9 | Very low | 127 Ų | 127 | 141.1 Ų | 141.1 | 78% | 0.779 | 76% | 0.755 | S | S | * | * | trans | -83 | -175.6 | 168.9 | 60.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 271 | P | 44.8 | Very low | 32.9 | Very low | 99 Ų | 99 | 142.4 Ų | 142.4 | 64% | 0.643 | 76% | 0.757 | S | S | * | * | cis | -155.9 | 172 | 20.9 | 44.7 | -22.3 | 0 | 0 | 0 | 122.2 | ||||
| 272 | K | 29.6 | Very low | 33.1 | Very low | 189 Ų | 189 | 143.4 Ų | 143.4 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | trans | 58.5 | 113.9 | 139.5 | -75 | 164.8 | -178 | 168.7 | 0 | 121.5 | ||||
| 273 | K | 29.1 | Very low | 34.2 | Very low | 182 Ų | 182 | 140.1 Ų | 140.1 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | 167.8 | 127.7 | 104.6 | -93.5 | 160 | -174.9 | 171.2 | 0 | 115.8 | |||||
| 274 | R | 31.4 | Very low | 34.3 | Very low | 229 Ų | 229 | 140.3 Ų | 140.3 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | trans | 60.6 | 158.2 | 133.7 | -65.8 | -178.1 | 176.4 | -169.5 | -1.2 | 120.7 | ||||
| 275 | K | 27.8 | Very low | 34.6 | Very low | 187 Ų | 187 | 144.3 Ų | 144.3 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | cis | -174.6 | 111.5 | -25.7 | 179.2 | -173.5 | -177.8 | -166.8 | 0 | 111.7 | ||||
| 276 | A | 28.5 | Very low | 34.7 | Very low | 91 Ų | 91 | 142.3 Ų | 142.3 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | trans | 70.1 | 169.8 | 151.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 277 | P | 59 | Low | 34.8 | Very low | 113 Ų | 113 | 139.6 Ų | 139.6 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | trans | -107.7 | -171.6 | -158 | 43.6 | -37.3 | 0 | 0 | 0 | 115.2 | ||||
| 278 | P | 37.4 | Very low | 34.8 | Very low | 119 Ų | 119 | 134.2 Ų | 134.2 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | -151.5 | 170 | 100.1 | 42.2 | -26.2 | 0 | 0 | 0 | 117.9 | |||||
| 279 | P | 56 | Low | 35.5 | Very low | 110 Ų | 110 | 132.7 Ų | 132.7 | 71% | 0.714 | 76% | 0.762 | S | S | * | * | trans | -93.8 | -154.2 | 160 | 42.7 | -36.9 | 0 | 0 | 0 | 110.2 | ||||
| 280 | P | 48.3 | Very low | 35.6 | Very low | 99 Ų | 99 | 131.3 Ų | 131.3 | 64% | 0.643 | 76% | 0.758 | S | S | * | * | cis | -145.6 | -169.8 | -1.7 | 44.9 | -24.7 | 0 | 0 | 0 | 118.3 | ||||
| 281 | N | 25.7 | Very low | 35.8 | Very low | 154 Ų | 154 | 130.9 Ų | 130.9 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | trans | 92.8 | 140 | 142.9 | -73 | -9.4 | 0 | 0 | 0 | 125.2 | ||||
| 282 | S | 33.8 | Very low | 35.7 | Very low | 112 Ų | 112 | 131.4 Ų | 131.4 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | trans | -86.5 | -174.8 | 172.6 | -30.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 283 | P | 50.8 | Low | 35.5 | Very low | 115 Ų | 115 | 128.3 Ų | 128.3 | 75% | 0.747 | 77% | 0.765 | S | S | * | * | -140.3 | -171.8 | 58.4 | 31.1 | -4.8 | 0 | 0 | 0 | 113.7 | |||||
| 284 | L | 26.6 | Very low | 35.6 | Very low | 144 Ų | 144 | 124.3 Ų | 124.3 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | cis | -150 | 153.8 | 31.9 | -83.4 | 165.1 | 0 | 0 | 0 | 114.4 | ||||
| 285 | Q | 33 | Very low | 35.5 | Very low | 174 Ų | 174 | 120.1 Ų | 120.1 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | trans | 18.6 | 149.8 | 140.6 | -72.4 | 172.8 | -26 | 0 | 0 | 121.8 | ||||
| 286 | S | 30.5 | Very low | 35.5 | Very low | 102 Ų | 102 | 117 Ų | 117 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | cis | 177.1 | 161.8 | 0.3 | 46 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 287 | S | 29.3 | Very low | 36.1 | Very low | 104 Ų | 104 | 118.7 Ų | 118.7 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | cis | -179.2 | 149 | -20 | 55.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 288 | A | 27.8 | Very low | 34.6 | Very low | 95 Ų | 95 | 118.6 Ų | 118.6 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | 72.6 | 164.1 | 155.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 289 | P | 42.7 | Very low | 34.1 | Very low | 108 Ų | 108 | 118.8 Ų | 118.8 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | cis | -134.1 | 156 | 2 | 41.5 | -25.3 | 0 | 0 | 0 | 118.4 | ||||
| 290 | S | 29.4 | Very low | 32.9 | Very low | 105 Ų | 105 | 119.8 Ų | 119.8 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | 57.9 | 149.6 | 144.3 | 55.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 291 | S | 31.1 | Very low | 32.4 | Very low | 117 Ų | 117 | 120.7 Ų | 120.7 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | cis | -165.9 | 170.8 | -11.9 | -96.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 292 | P | 41.6 | Very low | 32.4 | Very low | 110 Ų | 110 | 117.9 Ų | 117.9 | 71% | 0.714 | 78% | 0.78 | S | S | * | * | trans | -131.7 | 174.5 | -153 | 45.2 | -32 | 0 | 0 | 0 | 118.8 | ||||
| 293 | S | 25.3 | Very low | 32.1 | Very low | 125 Ų | 125 | 117.2 Ų | 117.2 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | 58.8 | 158.4 | 141.5 | -65.3 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 294 | A | 31.7 | Very low | 31 | Very low | 98 Ų | 98 | 118.3 Ų | 118.3 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | trans | -119.2 | 167.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 295 | V | 28.8 | Very low | 31.1 | Very low | 140 Ų | 140 | 121.2 Ų | 121.2 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | trans | -162.2 | 165.2 | 161.7 | 126.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 296 | T | 27.6 | Very low | 30.8 | Very low | 122 Ų | 122 | 116.1 Ų | 116.1 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | -74.7 | -177 | -172.4 | 51.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 297 | P | 41.6 | Very low | 30.6 | Very low | 127 Ų | 127 | 118.3 Ų | 118.3 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | cis | -144.6 | -152.7 | 19.7 | 45.9 | -23 | 0 | 0 | 0 | 117.6 | ||||
| 298 | S | 28.1 | Very low | 30.5 | Very low | 111 Ų | 111 | 119.6 Ų | 119.6 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | -100.2 | 151.4 | -161.6 | 56.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 299 | S | 27 | Very low | 31.2 | Very low | 122 Ų | 122 | 119.5 Ų | 119.5 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | trans | -174.8 | 149.2 | 133.7 | 53.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 300 | T | 30.3 | Very low | 30.6 | Very low | 132 Ų | 132 | 123.8 Ų | 123.8 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | trans | -81.3 | 158.9 | 155.5 | 17.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 301 | P | 37.4 | Very low | 30.4 | Very low | 117 Ų | 117 | 128.5 Ų | 128.5 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | cis | -153.5 | 174.5 | 48.3 | 43.7 | -22.4 | 0 | 0 | 0 | 119.5 | ||||
| 302 | A | 25.4 | Very low | 30.1 | Very low | 95 Ų | 95 | 129.8 Ų | 129.8 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | 40.1 | 129.9 | 138.5 | 0 | 0 | 0 | 0 | 0 | 125 | ||||
| 303 | S | 27.2 | Very low | 29.4 | Very low | 99 Ų | 99 | 129.7 Ų | 129.7 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | 91 | 105.7 | 128.2 | -159.4 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 304 | N | 28.5 | Very low | 29.6 | Very low | 137 Ų | 137 | 133 Ų | 133 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | trans | 69.6 | 136.4 | 131 | -77.4 | -54.4 | 0 | 0 | 0 | 124.4 | ||||
| 305 | K | 28.5 | Very low | 29.9 | Very low | 206 Ų | 206 | 134.3 Ų | 134.3 | 90% | 0.896 | 75% | 0.75 | S | S | * | * | trans | 68.6 | 150.8 | 160.2 | -61.2 | 166.5 | -177.6 | -178.7 | 0 | 116.5 | ||||
| 306 | G | 26.6 | Very low | 30.2 | Very low | 67 Ų | 67 | 134.8 Ų | 134.8 | 69% | 0.691 | 74% | 0.743 | S | S | * | * | cis | 174.5 | 155.8 | -7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 307 | D | 25.7 | Very low | 30.4 | Very low | 148 Ų | 148 | 134.4 Ų | 134.4 | 79% | 0.791 | 74% | 0.737 | S | S | * | * | trans | 62.6 | 98 | 160.1 | -57.7 | -42.6 | 0 | 0 | 0 | 123.8 | ||||
| 308 | T | 28.3 | Very low | 29.8 | Very low | 130 Ų | 130 | 137 Ų | 137 | 80% | 0.798 | 74% | 0.738 | S | S | * | * | 52.2 | 179.1 | 124 | 78 | 0 | 0 | 0 | 0 | 121 | |||||
| 309 | P | 42.8 | Very low | 29.8 | Very low | 93 Ų | 93 | 141.5 Ų | 141.5 | 60% | 0.604 | 74% | 0.744 | S | S | * | * | cis | -139 | 166.3 | -3.3 | 42.3 | -24.6 | 0 | 0 | 0 | 119 | ||||
| 310 | K | 30.1 | Very low | 30.1 | Very low | 198 Ų | 198 | 141.5 Ų | 141.5 | 86% | 0.861 | 74% | 0.744 | S | S | * | * | trans | 66.2 | 140.3 | 157.2 | -65.5 | 150.8 | -174.8 | 171.4 | 0 | 116.5 | ||||
| 311 | R | 23.9 | Very low | 30.4 | Very low | 204 Ų | 204 | 137.8 Ų | 137.8 | 77% | 0.77 | 73% | 0.732 | S | S | * | * | cis | -156.9 | -176.5 | 6 | -131.9 | -179.5 | 167.8 | 169.2 | -2.3 | 107.2 | ||||
| 312 | F | 25.1 | Very low | 30.8 | Very low | 144 Ų | 144 | 139.3 Ų | 139.3 | 63% | 0.632 | 73% | 0.733 | S | S | * | * | cis | -152.4 | -137.1 | 12.1 | -147.3 | -20.3 | 0 | 0 | 0 | 111.8 | ||||
| 313 | N | 28.1 | Very low | 32.1 | Very low | 108 Ų | 108 | 139.5 Ų | 139.5 | 58% | 0.578 | 73% | 0.726 | S | S | * | * | trans | -119.7 | 174.3 | -174 | -60.3 | 18.5 | 0 | 0 | 0 | 110.9 | ||||
| 314 | Y | 29.3 | Very low | 33.4 | Very low | 194 Ų | 194 | 140.8 Ų | 140.8 | 76% | 0.761 | 73% | 0.725 | S | S | * | * | cis | -128.7 | 150.9 | 10.4 | -89.7 | -104.8 | 0 | 0 | 0 | 110.3 | ||||
| 315 | K | 37.4 | Very low | 34.8 | Very low | 126 Ų | 126 | 141.2 Ų | 141.2 | 55% | 0.548 | 72% | 0.72 | S | S | . | * | 73 | 139.9 | 57.5 | -112.5 | -166.5 | 159.9 | -73.6 | 0 | 112.4 | D317 | K315-D317 IonicContact NZ-OD1 2.65Å; K315-D317 PolarHBondContact NZ-OD1 2.91Å; K315-D317 VanDerWaalsContact NZ-OD1 3.12Å; K315-D317 IonicContact NZ-OD2 3.87Å; K315-D317 PolarHBondContact NZ-OD2 2.69Å | |||
| 316 | E | 35.3 | Very low | 36.4 | Very low | 150 Ų | 150 | 138 Ų | 138 | 70% | 0.701 | 71% | 0.708 | S | S | * | * | cis | -147 | 173.3 | 18.4 | -61 | -167.2 | 136.7 | 0 | 0 | 110.8 | ||||
| 317 | D | 31.6 | Very low | 38.3 | Very low | 115 Ų | 115 | 137.3 Ų | 137.3 | 62% | 0.615 | 69% | 0.69 | S | S | * | * | cis | -168.7 | 146 | -30 | -91.8 | -1.3 | 0 | 0 | 0 | 107.7 | K315 | K315-D317 IonicContact NZ-OD1 2.65Å; K315-D317 PolarHBondContact NZ-OD1 2.91Å; K315-D317 VanDerWaalsContact NZ-OD1 3.12Å; K315-D317 IonicContact NZ-OD2 3.87Å; K315-D317 PolarHBondContact NZ-OD2 2.69Å | ||
| 318 | E | 28.4 | Very low | 40.4 | Very low | 180 Ų | 180 | 135.4 Ų | 135.4 | 84% | 0.841 | 68% | 0.676 | S | S | * | * | trans | -172.3 | 168.6 | 137.1 | -118.6 | -175.7 | -164.3 | 0 | 0 | 112.1 | ||||
| 319 | F | 30 | Very low | 42.6 | Very low | 206 Ų | 206 | 134.8 Ų | 134.8 | 90% | 0.904 | 66% | 0.663 | S | S | * | * | trans | 61.1 | 92.2 | -178 | -82.7 | -88 | 0 | 0 | 0 | 118.3 | ||||
| 320 | S | 31.5 | Very low | 44 | Very low | 123 Ų | 123 | 132.4 Ų | 132.4 | 86% | 0.86 | 65% | 0.645 | S | S | * | * | trans | -132.1 | 116.5 | 158.5 | 60.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 321 | G | 37.1 | Very low | 46 | Very low | 53 Ų | 53 | 126.8 Ų | 126.8 | 55% | 0.546 | 62% | 0.621 | S | S | . | * | trans | -177.3 | 16.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 322 | L | 46.6 | Very low | 48.5 | Very low | 149 Ų | 149 | 123.1 Ų | 123.1 | 78% | 0.78 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -99.6 | -42.5 | -175 | -68.4 | 171 | 0 | 0 | 0 | 116 | L324 | L322-L324 VanDerWaalsContact C-N 3.35Å; L322-L324 PolarHBondContact O-N 3.12Å |
| 323 | P | 53.1 | Low | 51 | Low | 100 Ų | 100 | 119.9 Ų | 119.9 | 65% | 0.649 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -77.5 | -13.5 | -169.1 | 30.5 | -36.1 | 0 | 0 | 0 | 115.1 | V327 | P323-V327 WeakPolarHBondContact O-CG2 3.3Å |
| 324 | L | 53.6 | Low | 53.6 | Low | 126 Ų | 126 | 118 Ų | 118 | 66% | 0.66 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -76.3 | -48.3 | 175.8 | -80.5 | 166.3 | 0 | 0 | 0 | 111.6 | L322 E326 V327 E328 | L322-L324 VanDerWaalsContact C-N 3.35Å; L322-L324 PolarHBondContact O-N 3.12Å; L324-E326 PolarHBondContact O-N 3.49Å; L324-E326 VanDerWaalsContact O-N 3.16Å; L324-V327 PolarHBondContact O-N 3.23Å; L324-E328 WeakPolarHBondContact O-CG 3.37Å; L324-E328 PolarHBondContact O-N 3.09Å |
| 325 | K | 57.4 | Low | 55.9 | Low | 145 Ų | 145 | 112.7 Ų | 112.7 | 63% | 0.63 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -57.1 | -33.6 | -178.2 | -68.2 | -169.6 | 173.9 | -169.2 | 0 | 113.7 | E328 K329 | K325-E328 WeakPolarHBondContact CA-OE2 3.36Å; K325-K329 VanDerWaalsContact O-CB 3.23Å; K325-K329 WeakPolarHBondContact O-CB 3.41Å; K325-K329 PolarHBondContact O-N 3.06Å |
| 326 | E | 62 | Low | 57.9 | Low | 139 Ų | 139 | 112 Ų | 112 | 65% | 0.65 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -72.5 | -32.6 | 178.4 | -164.3 | 167.2 | -150 | 0 | 0 | 112.1 | L324 L330 | L324-E326 PolarHBondContact O-N 3.49Å; L324-E326 VanDerWaalsContact O-N 3.16Å; E326-L330 WeakPolarHBondContact O-CB 3.34Å; E326-L330 WeakPolarHBondContact O-CD1 3.39Å; E326-L330 VanDerWaalsContact O-CG 3.25Å; E326-L330 WeakPolarHBondContact O-CG 3.44Å; E326-L330 PolarHBondContact O-N 2.89Å; E326-L330 VanDerWaalsContact O-N 3.16Å |
| 327 | V | 68.1 | Low | 60.1 | Low | 52 Ų | 52 | 106 Ų | 106 | 32% | 0.315 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -80.4 | -33.9 | 175.4 | -179.9 | 0 | 0 | 0 | 0 | 112.1 | P323 L324 H331 L388 L391 | P323-V327 WeakPolarHBondContact O-CG2 3.3Å; L324-V327 PolarHBondContact O-N 3.23Å; V327-H331 PolarHBondContact O-N 3.32Å; V327-H331 VanDerWaalsContact O-N 3.15Å; V327-L388 HydrophobicContact CG1-CD2 4.47Å; V327-L391 HydrophobicContact CG2-CD1 3.78Å |
| 328 | E | 69.6 | Low | 62.5 | Low | 108 Ų | 108 | 104 Ų | 104 | 51% | 0.505 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.7 | -51.8 | 171 | -70.5 | 166 | 158.1 | 0 | 0 | 110 | L324 K325 L330 H331 E332 | L324-E328 WeakPolarHBondContact O-CG 3.37Å; L324-E328 PolarHBondContact O-N 3.09Å; K325-E328 WeakPolarHBondContact CA-OE2 3.36Å; E328-L330 PolarHBondContact O-N 3.06Å; E328-H331 CarbonylContact O-C 3.6Å; E328-H331 WeakPolarHBondContact O-CA 3.07Å; E328-H331 WeakPolarHBondContact O-CB 3.2Å; E328-H331 PolarHBondContact O-N 3.47Å; E328-E332 PolarHBondContact O-N 2.95Å |
| 329 | K | 73.9 | Confident | 65.1 | Low | 117 Ų | 117 | 100.8 Ų | 100.8 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.8 | -41.8 | 177 | -171.9 | 173.7 | -172.3 | -88 | 0 | 112.9 | K325 H331 E332 E333 | K325-K329 VanDerWaalsContact O-CB 3.23Å; K325-K329 WeakPolarHBondContact O-CB 3.41Å; K325-K329 PolarHBondContact O-N 3.06Å; K329-H331 PolarHBondContact O-N 3.07Å; K329-E332 PolarHBondContact O-N 2.7Å; K329-E333 HydrophobicContact CG-CG 4.45Å; K329-E333 IonicContact NZ-OE1 3.3Å; K329-E333 PolarHBondContact NZ-OE1 3.17Å; K329-E333 WeakPolarHBondContact O-CB 3.48Å; K329-E333 WeakPolarHBondContact O-CG 3.48Å; K329-E333 PolarHBondContact O-N 3.01Å |
| 330 | L | 71.9 | Confident | 67.5 | Low | 44 Ų | 44 | 93.8 Ų | 93.8 | 23% | 0.23 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -67.6 | -19.9 | 174.5 | -75.5 | 169.6 | 0 | 0 | 0 | 113.6 | E326 E328 R334 L384 L388 | E326-L330 WeakPolarHBondContact O-CB 3.34Å; E326-L330 WeakPolarHBondContact O-CD1 3.39Å; E326-L330 VanDerWaalsContact O-CG 3.25Å; E326-L330 WeakPolarHBondContact O-CG 3.44Å; E326-L330 PolarHBondContact O-N 2.89Å; E326-L330 VanDerWaalsContact O-N 3.16Å; E328-L330 PolarHBondContact O-N 3.06Å; L330-R334 WeakPolarHBondContact O-CB 3.33Å; L330-R334 PolarHBondContact O-N 3.43Å; L330-L384 HydrophobicContact CD2-CD2 4.33Å; L330-L388 HydrophobicContact CB-CD2 3.99Å |
| 331 | H | 72.6 | Confident | 69.9 | Low | 79 Ų | 79 | 88.3 Ų | 88.3 | 37% | 0.366 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -80.6 | -41.7 | 168.5 | -100.4 | 91.2 | 0 | 0 | 0 | 112.1 | V327 E328 K329 R334 N335 | V327-H331 PolarHBondContact O-N 3.32Å; V327-H331 VanDerWaalsContact O-N 3.15Å; E328-H331 CarbonylContact O-C 3.6Å; E328-H331 WeakPolarHBondContact O-CA 3.07Å; E328-H331 WeakPolarHBondContact O-CB 3.2Å; E328-H331 PolarHBondContact O-N 3.47Å; K329-H331 PolarHBondContact O-N 3.07Å; H331-R334 PolarHBondContact O-N 2.86Å; H331-N335 WeakPolarHBondContact O-CB 3.26Å; H331-N335 PolarHBondContact O-N 3.45Å; H331-N335 PolarHBondContact O-ND2 3.16Å; H331-N335 PolarHBondContact O-OD1 3.07Å |
| 332 | E | 76.6 | Confident | 72.1 | Confident | 128 Ų | 128 | 91 Ų | 91 | 60% | 0.598 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -63.3 | -48.3 | 176.2 | -68.5 | 176 | 136.2 | 0 | 0 | 111.2 | E328 K329 R334 N335 M336 | E328-E332 PolarHBondContact O-N 2.95Å; K329-E332 PolarHBondContact O-N 2.7Å; E332-R334 VanDerWaalsContact C-N 3.26Å; E332-R334 PolarHBondContact O-N 3.37Å; E332-N335 PolarHBondContact O-N 2.78Å; E332-M336 WeakPolarHBondContact O-CG 3.42Å; E332-M336 PolarHBondContact O-N 3.14Å |
| 333 | E | 77.8 | Confident | 73.7 | Confident | 75 Ų | 75 | 88 Ų | 88 | 35% | 0.35 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -54.2 | -42.1 | 172.8 | -74 | 173.1 | -172.7 | 0 | 0 | 111.8 | K329 L337 | K329-E333 HydrophobicContact CG-CG 4.45Å; K329-E333 IonicContact NZ-OE1 3.3Å; K329-E333 PolarHBondContact NZ-OE1 3.17Å; K329-E333 WeakPolarHBondContact O-CB 3.48Å; K329-E333 WeakPolarHBondContact O-CG 3.48Å; K329-E333 PolarHBondContact O-N 3.01Å; E333-L337 VanDerWaalsContact O-CB 3.31Å; E333-L337 WeakPolarHBondContact O-CB 3.29Å; E333-L337 PolarHBondContact O-N 3.1Å; E333-L337 VanDerWaalsContact O-N 3.14Å |
| 334 | R | 81.7 | Confident | 75 | Confident | 68 Ų | 68 | 85.1 Ų | 85.1 | 26% | 0.257 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -70.6 | -33.8 | 177 | 179.6 | 173.7 | 172.2 | -112.1 | -12 | 113.2 | L330 H331 E332 L337 L338 N381 | L330-R334 WeakPolarHBondContact O-CB 3.33Å; L330-R334 PolarHBondContact O-N 3.43Å; H331-R334 PolarHBondContact O-N 2.86Å; E332-R334 VanDerWaalsContact C-N 3.26Å; E332-R334 PolarHBondContact O-N 3.37Å; R334-L337 CarbonylContact O-C 3.52Å; R334-L337 PolarHBondContact O-N 3.47Å; R334-L338 WeakPolarHBondContact O-CG 3.26Å; R334-L338 PolarHBondContact O-N 2.97Å; R334-N381 PolarHBondContact NE-OD1 2.8Å |
| 335 | N | 77 | Confident | 76.3 | Confident | 83 Ų | 83 | 83 Ų | 83 | 44% | 0.444 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -71.8 | -45.9 | 178.9 | -71.2 | -14.6 | 0 | 0 | 0 | 110.9 | H331 E332 L337 L338 E339 | H331-N335 WeakPolarHBondContact O-CB 3.26Å; H331-N335 PolarHBondContact O-N 3.45Å; H331-N335 PolarHBondContact O-ND2 3.16Å; H331-N335 PolarHBondContact O-OD1 3.07Å; E332-N335 PolarHBondContact O-N 2.78Å; N335-L337 PolarHBondContact O-N 3.06Å; N335-L338 WeakPolarHBondContact O-CA 3.49Å; N335-L338 WeakPolarHBondContact O-CB 3.48Å; N335-L338 PolarHBondContact O-N 2.86Å; N335-E339 PolarHBondContact O-N 3.15Å |
| 336 | M | 79.6 | Confident | 77.4 | Confident | 111 Ų | 111 | 82 Ų | 82 | 55% | 0.547 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -57.1 | -37.5 | 171.7 | -63.3 | -55.7 | -56 | 0 | 0 | 111.6 | E332 L338 E339 T340 | E332-M336 WeakPolarHBondContact O-CG 3.42Å; E332-M336 PolarHBondContact O-N 3.14Å; M336-L338 VanDerWaalsContact C-N 3.31Å; M336-L338 PolarHBondContact O-N 3.48Å; M336-E339 PolarHBondContact O-N 2.73Å; M336-T340 WeakPolarHBondContact O-CB 3.37Å; M336-T340 WeakPolarHBondContact O-CG2 3.2Å; M336-T340 PolarHBondContact O-N 3.06Å; M336-T340 PolarHBondContact O-OG1 3.46Å |
| 337 | L | 82.8 | Confident | 78 | Confident | 25 Ų | 25 | 78.3 Ų | 78.3 | 13% | 0.131 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -78.5 | -9.9 | 177 | -152.3 | 140.9 | 0 | 0 | 0 | 113.5 | E333 R334 N335 I341 L377 E380 N381 L384 | E333-L337 VanDerWaalsContact O-CB 3.31Å; E333-L337 WeakPolarHBondContact O-CB 3.29Å; E333-L337 PolarHBondContact O-N 3.1Å; E333-L337 VanDerWaalsContact O-N 3.14Å; R334-L337 CarbonylContact O-C 3.52Å; R334-L337 PolarHBondContact O-N 3.47Å; N335-L337 PolarHBondContact O-N 3.06Å; L337-I341 HydrophobicContact CD2-CD1 4.09Å; L337-I341 WeakPolarHBondContact O-CD1 3.41Å; L337-I341 WeakPolarHBondContact O-CG1 3.49Å; L337-L377 HydrophobicContact CD2-CB 4.47Å; L337-L377 WeakPolarHBondContact CD2-O 3.26Å; L337-E380 HydrophobicContact CD1-CG 4.1Å; L337-N381 HydrophobicContact CD2-CB 3.66Å; L337-N381 PolarHBondContact O-ND2 2.98Å; L337-L384 HydrophobicContact CD1-CD1 4.19Å |
| 338 | L | 80.6 | Confident | 78.5 | Confident | 73 Ų | 73 | 76.7 Ų | 76.7 | 38% | 0.382 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -86.3 | -45.3 | 165.5 | -76.2 | 169 | 0 | 0 | 0 | 110.9 | R334 N335 M336 I341 E342 N381 | R334-L338 WeakPolarHBondContact O-CG 3.26Å; R334-L338 PolarHBondContact O-N 2.97Å; N335-L338 WeakPolarHBondContact O-CA 3.49Å; N335-L338 WeakPolarHBondContact O-CB 3.48Å; N335-L338 PolarHBondContact O-N 2.86Å; M336-L338 VanDerWaalsContact C-N 3.31Å; M336-L338 PolarHBondContact O-N 3.48Å; L338-I341 WeakPolarHBondContact O-CB 3.43Å; L338-I341 PolarHBondContact O-N 3.2Å; L338-I341 VanDerWaalsContact O-N 3.15Å; L338-E342 PolarHBondContact O-N 2.91Å; L338-N381 WeakPolarHBondContact CD2-ND2 3.46Å; L338-N381 WeakPolarHBondContact CG-ND2 3.39Å |
| 339 | E | 84.4 | Confident | 78.7 | Confident | 113 Ų | 113 | 78.3 Ų | 78.3 | 53% | 0.528 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.1 | -51.3 | 179.4 | -168.8 | 164.6 | -142.5 | 0 | 0 | 111.2 | N335 M336 I341 E342 D343 | N335-E339 PolarHBondContact O-N 3.15Å; M336-E339 PolarHBondContact O-N 2.73Å; E339-I341 VanDerWaalsContact C-N 3.26Å; E339-I341 PolarHBondContact O-N 3.17Å; E339-E342 WeakPolarHBondContact O-CA 3.31Å; E339-E342 PolarHBondContact O-N 3.25Å; E339-D343 PolarHBondContact O-N 3.33Å |
| 340 | T | 79.8 | Confident | 78.4 | Confident | 58 Ų | 58 | 77.1 Ų | 77.1 | 36% | 0.356 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.7 | -24.3 | 175.1 | 51.3 | 0 | 0 | 0 | 0 | 114.5 | M336 L344 | M336-T340 WeakPolarHBondContact O-CB 3.37Å; M336-T340 WeakPolarHBondContact O-CG2 3.2Å; M336-T340 PolarHBondContact O-N 3.06Å; M336-T340 PolarHBondContact O-OG1 3.46Å; T340-L344 WeakPolarHBondContact O-CB 3.33Å; T340-L344 WeakPolarHBondContact O-CD1 3.34Å; T340-L344 WeakPolarHBondContact O-CG 3.33Å; T340-L344 PolarHBondContact O-N 3.39Å |
| 341 | I | 82.6 | Confident | 78.1 | Confident | 9 Ų | 9 | 77.8 Ų | 77.8 | 5% | 0.046 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -73.1 | -38.5 | 170.8 | -78.2 | 175 | 0 | 0 | 0 | 110.5 | L337 L338 E339 K345 L377 N381 | L337-I341 HydrophobicContact CD2-CD1 4.09Å; L337-I341 WeakPolarHBondContact O-CD1 3.41Å; L337-I341 WeakPolarHBondContact O-CG1 3.49Å; L338-I341 WeakPolarHBondContact O-CB 3.43Å; L338-I341 PolarHBondContact O-N 3.2Å; L338-I341 VanDerWaalsContact O-N 3.15Å; E339-I341 VanDerWaalsContact C-N 3.26Å; E339-I341 PolarHBondContact O-N 3.17Å; I341-K345 WeakPolarHBondContact O-CG 3.49Å; I341-K345 PolarHBondContact O-N 3.24Å; I341-L377 HydrophobicContact CD1-CB 3.83Å; I341-L377 HydrophobicContact CG1-CB 3.75Å; I341-L377 HydrophobicContact CG1-CD1 4.44Å; I341-N381 HydrophobicContact CD1-CB 4.4Å |
| 342 | E | 82.4 | Confident | 77.4 | Confident | 108 Ų | 108 | 77.2 Ų | 77.2 | 51% | 0.505 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -72.1 | -43.1 | 179.1 | -147.4 | 65.3 | -153.7 | 0 | 0 | 111.5 | L338 E339 L344 K345 Q346 | L338-E342 PolarHBondContact O-N 2.91Å; E339-E342 WeakPolarHBondContact O-CA 3.31Å; E339-E342 PolarHBondContact O-N 3.25Å; E342-L344 VanDerWaalsContact C-N 3.31Å; E342-L344 PolarHBondContact O-N 3.4Å; E342-K345 WeakPolarHBondContact O-CB 3.4Å; E342-K345 PolarHBondContact O-N 3Å; E342-K345 VanDerWaalsContact O-N 3.16Å; E342-K345 IonicContact OE1-NZ 3.99Å; E342-K345 PolarHBondContact OE1-NZ 2.76Å; E342-K345 IonicContact OE2-NZ 2.72Å; E342-K345 PolarHBondContact OE2-NZ 3.48Å; E342-Q346 PolarHBondContact O-N 3.47Å |
| 343 | D | 79.5 | Confident | 76.2 | Confident | 87 Ų | 87 | 75.5 Ų | 75.5 | 47% | 0.465 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -54.2 | -48 | 170.8 | -71.4 | -26.8 | 0 | 0 | 0 | 111 | E339 K345 Q346 T347 | E339-D343 PolarHBondContact O-N 3.33Å; D343-K345 PolarHBondContact O-N 3.11Å; D343-Q346 PolarHBondContact O-N 3.13Å; D343-Q346 VanDerWaalsContact O-N 3.11Å; D343-T347 WeakPolarHBondContact O-CG2 3.24Å; D343-T347 PolarHBondContact O-N 3.39Å |
| 344 | L | 80.9 | Confident | 74.9 | Confident | 39 Ų | 39 | 77.9 Ų | 77.9 | 20% | 0.204 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -63.4 | -39.7 | 178.8 | -77 | 171.2 | 0 | 0 | 0 | 112 | T340 E342 Q346 T347 V348 L370 R373 I374 L377 | T340-L344 WeakPolarHBondContact O-CB 3.33Å; T340-L344 WeakPolarHBondContact O-CD1 3.34Å; T340-L344 WeakPolarHBondContact O-CG 3.33Å; T340-L344 PolarHBondContact O-N 3.39Å; E342-L344 VanDerWaalsContact C-N 3.31Å; E342-L344 PolarHBondContact O-N 3.4Å; L344-Q346 VanDerWaalsContact C-N 3.34Å; L344-T347 PolarHBondContact O-N 2.76Å; L344-T347 PolarHBondContact O-OG1 3.4Å; L344-V348 WeakPolarHBondContact O-CG2 3.28Å; L344-V348 PolarHBondContact O-N 3.43Å; L344-L370 HydrophobicContact CD2-CD2 4.19Å; L344-R373 HydrophobicContact CD1-CG 4.31Å; L344-I374 HydrophobicContact CB-CD1 4.06Å; L344-I374 HydrophobicContact CB-CG1 3.71Å; L344-L377 HydrophobicContact CD1-CD1 3.56Å |
| 345 | K | 81.4 | Confident | 72.9 | Confident | 81 Ų | 81 | 83 Ų | 83 | 35% | 0.352 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.9 | -43.6 | 170.9 | -68.5 | 168.5 | -166.7 | 162.9 | 0 | 111.5 | I341 E342 D343 T347 V348 E349 I374 | I341-K345 WeakPolarHBondContact O-CG 3.49Å; I341-K345 PolarHBondContact O-N 3.24Å; E342-K345 WeakPolarHBondContact O-CB 3.4Å; E342-K345 PolarHBondContact O-N 3Å; E342-K345 VanDerWaalsContact O-N 3.16Å; E342-K345 IonicContact OE1-NZ 3.99Å; E342-K345 PolarHBondContact OE1-NZ 2.76Å; E342-K345 IonicContact OE2-NZ 2.72Å; E342-K345 PolarHBondContact OE2-NZ 3.48Å; D343-K345 PolarHBondContact O-N 3.11Å; K345-T347 VanDerWaalsContact C-N 3.32Å; K345-T347 PolarHBondContact O-N 3.23Å; K345-V348 CarbonylContact O-C 3.55Å; K345-V348 WeakPolarHBondContact O-CA 3.35Å; K345-V348 WeakPolarHBondContact O-CB 3.47Å; K345-V348 PolarHBondContact O-N 3.25Å; K345-E349 PolarHBondContact O-N 3.41Å; K345-I374 HydrophobicContact CG-CD1 4.31Å |
| 346 | Q | 80.2 | Confident | 71.3 | Confident | 124 Ų | 124 | 86.6 Ų | 86.6 | 58% | 0.579 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -67.9 | -32.5 | -178 | -158.9 | 166.7 | 35.2 | 0 | 0 | 111.9 | E342 D343 L344 T350 | E342-Q346 PolarHBondContact O-N 3.47Å; D343-Q346 PolarHBondContact O-N 3.13Å; D343-Q346 VanDerWaalsContact O-N 3.11Å; L344-Q346 VanDerWaalsContact C-N 3.34Å; Q346-T350 WeakPolarHBondContact O-CB 3.15Å; Q346-T350 WeakPolarHBondContact O-CG2 3.31Å; Q346-T350 PolarHBondContact O-N 3.24Å; Q346-T350 PolarHBondContact O-OG1 3.44Å |
| 347 | T | 74.8 | Confident | 69.8 | Low | 62 Ų | 62 | 88.9 Ų | 88.9 | 38% | 0.38 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.4 | -36.6 | 167.2 | 64.8 | 0 | 0 | 0 | 0 | 112.6 | D343 L344 K345 T350 V351 | D343-T347 WeakPolarHBondContact O-CG2 3.24Å; D343-T347 PolarHBondContact O-N 3.39Å; L344-T347 PolarHBondContact O-N 2.76Å; L344-T347 PolarHBondContact O-OG1 3.4Å; K345-T347 VanDerWaalsContact C-N 3.32Å; K345-T347 PolarHBondContact O-N 3.23Å; T347-T350 WeakPolarHBondContact CA-OG1 3.42Å; T347-T350 PolarHBondContact O-OG1 3.33Å; T347-T350 VanDerWaalsContact O-OG1 3.13Å; T347-V351 VanDerWaalsContact O-CB 3.32Å; T347-V351 WeakPolarHBondContact O-CB 3.35Å; T347-V351 WeakPolarHBondContact O-CG2 3.36Å; T347-V351 PolarHBondContact O-N 2.92Å |
| 348 | V | 77.6 | Confident | 68.1 | Low | 18 Ų | 18 | 94 Ų | 94 | 11% | 0.109 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -68.6 | -42.7 | 174.6 | 169.8 | 0 | 0 | 0 | 0 | 111.8 | L344 K345 V351 A352 V367 L370 I374 | L344-V348 WeakPolarHBondContact O-CG2 3.28Å; L344-V348 PolarHBondContact O-N 3.43Å; K345-V348 CarbonylContact O-C 3.55Å; K345-V348 WeakPolarHBondContact O-CA 3.35Å; K345-V348 WeakPolarHBondContact O-CB 3.47Å; K345-V348 PolarHBondContact O-N 3.25Å; V348-V351 PolarHBondContact O-N 3.18Å; V348-A352 VanDerWaalsContact O-CB 3.24Å; V348-A352 WeakPolarHBondContact O-CB 3.45Å; V348-A352 PolarHBondContact O-N 2.93Å; V348-V367 HydrophobicContact CG1-CG1 4.29Å; V348-L370 HydrophobicContact CG2-CB 3.54Å; V348-L370 HydrophobicContact CG2-CD1 3.98Å; V348-L370 HydrophobicContact CG2-CG 4.37Å; V348-I374 HydrophobicContact CG2-CD1 3.89Å |
| 349 | E | 75.1 | Confident | 66.7 | Low | 142 Ų | 142 | 97.3 Ų | 97.3 | 66% | 0.664 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.7 | -39 | 176.8 | -72.4 | -167 | 152.6 | 0 | 0 | 112.4 | K345 A352 | K345-E349 PolarHBondContact O-N 3.41Å; E349-A352 PolarHBondContact O-N 2.79Å |
| 350 | T | 67.1 | Low | 65.2 | Low | 92 Ų | 92 | 99.1 Ų | 99.1 | 56% | 0.564 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -71.9 | -37.1 | 176.8 | 47.2 | 0 | 0 | 0 | 0 | 112.8 | Q346 T347 A352 V353 | Q346-T350 WeakPolarHBondContact O-CB 3.15Å; Q346-T350 WeakPolarHBondContact O-CG2 3.31Å; Q346-T350 PolarHBondContact O-N 3.24Å; Q346-T350 PolarHBondContact O-OG1 3.44Å; T347-T350 WeakPolarHBondContact CA-OG1 3.42Å; T347-T350 PolarHBondContact O-OG1 3.33Å; T347-T350 VanDerWaalsContact O-OG1 3.13Å; T350-A352 VanDerWaalsContact C-N 3.28Å; T350-A352 PolarHBondContact O-N 3.45Å; T350-V353 PolarHBondContact O-N 3.16Å |
| 351 | V | 65.4 | Low | 64 | Low | 59 Ų | 59 | 102.1 Ų | 102.1 | 36% | 0.358 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69.8 | -23.8 | 172.3 | 170.8 | 0 | 0 | 0 | 0 | 112.3 | T347 V348 V353 V367 | T347-V351 VanDerWaalsContact O-CB 3.32Å; T347-V351 WeakPolarHBondContact O-CB 3.35Å; T347-V351 WeakPolarHBondContact O-CG2 3.36Å; T347-V351 PolarHBondContact O-N 2.92Å; V348-V351 PolarHBondContact O-N 3.18Å; V351-V353 VanDerWaalsContact C-N 3.3Å; V351-V353 PolarHBondContact O-N 3.06Å; V351-V367 HydrophobicContact CG1-CG2 3.71Å |
| 352 | A | 57.9 | Low | 62.6 | Low | 67 Ų | 67 | 104.3 Ų | 104.3 | 55% | 0.554 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | -4.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | V348 E349 T350 P354 | V348-A352 VanDerWaalsContact O-CB 3.24Å; V348-A352 WeakPolarHBondContact O-CB 3.45Å; V348-A352 PolarHBondContact O-N 2.93Å; E349-A352 PolarHBondContact O-N 2.79Å; T350-A352 VanDerWaalsContact C-N 3.28Å; T350-A352 PolarHBondContact O-N 3.45Å; A352-P354 WeakPolarHBondContact O-CD 3.49Å |
| 353 | V | 51.1 | Low | 61.5 | Low | 92 Ų | 92 | 101.6 Ų | 101.6 | 56% | 0.558 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -76.1 | 117.6 | 179.1 | -178.3 | 0 | 0 | 0 | 0 | 110.6 | T350 V351 Q355 | T350-V353 PolarHBondContact O-N 3.16Å; V351-V353 VanDerWaalsContact C-N 3.3Å; V351-V353 PolarHBondContact O-N 3.06Å; V353-Q355 PolarHBondContact O-N 3.42Å |
| 354 | P | 50.3 | Low | 60.8 | Low | 124 Ų | 124 | 100 Ų | 100 | 81% | 0.805 | 56% | 0.556 | S | S | * | * | trans | -79.5 | 108.9 | -174.8 | 30.8 | -33.9 | 0 | 0 | 0 | 112 | A352 | A352-P354 WeakPolarHBondContact O-CD 3.49Š| ||
| 355 | Q | 40.9 | Very low | 60.4 | Low | 175 Ų | 175 | 101 Ų | 101 | 82% | 0.818 | 57% | 0.57 | S | S | * | * | trans | -117.8 | 101.8 | 163.4 | -66.3 | -163.8 | 6.9 | 0 | 0 | 111.1 | V353 | V353-Q355 PolarHBondContact O-N 3.42Š| ||
| 356 | L | 42.2 | Very low | 60 | Low | 159 Ų | 159 | 101.6 Ų | 101.6 | 83% | 0.832 | 58% | 0.577 | S | S | * | * | S | Bend | trans | 46 | 90.1 | 155.1 | -67.6 | 165.2 | 0 | 0 | 0 | 118.6 | ||
| 357 | E | 47.8 | Very low | 59.8 | Low | 160 Ų | 160 | 97.6 Ų | 97.6 | 75% | 0.748 | 56% | 0.561 | S | S | * | * | S | Bend | trans | 46.6 | 84.8 | 136.6 | -59.7 | -172.7 | 176.8 | 0 | 0 | 118.9 | ||
| 358 | V | 47.4 | Very low | 60 | Low | 131 Ų | 131 | 98.4 Ų | 98.4 | 79% | 0.794 | 57% | 0.569 | S | S | * | * | S | Bend | 175 | 151 | 124.4 | 151.3 | 0 | 0 | 0 | 0 | 108.2 | |||
| 359 | E | 51.8 | Low | 59.9 | Low | 144 Ų | 144 | 100.5 Ų | 100.5 | 67% | 0.673 | 59% | 0.588 | S | S | * | * | trans | 72.7 | 48.8 | -174.6 | -54.2 | -154.4 | 163.9 | 0 | 0 | 118.9 | T361 | E359-T361 PolarHBondContact O-N 3.44Å; E359-T361 VanDerWaalsContact O-N 3.14Å | ||
| 360 | H | 53.9 | Low | 60 | Low | 150 Ų | 150 | 95.6 Ų | 95.6 | 69% | 0.694 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.3 | -11.4 | 174.3 | -72.2 | -57.2 | 0 | 0 | 0 | 116.4 | A364 | H360-A364 WeakPolarHBondContact O-CB 3.23Å |
| 361 | T | 54.3 | Low | 60.6 | Low | 121 Ų | 121 | 95.2 Ų | 95.2 | 74% | 0.742 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -84.7 | -43.9 | -179.4 | 46.6 | 0 | 0 | 0 | 0 | 113.4 | E359 A364 A365 | E359-T361 PolarHBondContact O-N 3.44Å; E359-T361 VanDerWaalsContact O-N 3.14Å; T361-A364 PolarHBondContact O-N 3.29Å; T361-A365 PolarHBondContact O-N 2.87Å; T361-A365 VanDerWaalsContact O-N 3.15Å |
| 362 | A | 53.2 | Low | 61.4 | Low | 55 Ų | 55 | 95.1 Ų | 95.1 | 46% | 0.455 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.3 | -45.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A364 A365 L366 | A362-A364 PolarHBondContact O-N 2.91Å; A362-A365 PolarHBondContact O-N 3.12Å; A362-L366 PolarHBondContact O-N 2.94Å |
| 363 | S | 59.2 | Low | 62.5 | Low | 52 Ų | 52 | 99.9 Ų | 99.9 | 36% | 0.364 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -60.5 | -43.5 | 175.9 | 176 | 0 | 0 | 0 | 0 | 112.3 | A365 L366 V367 | S363-A365 VanDerWaalsContact C-N 3.33Å; S363-A365 PolarHBondContact O-N 2.94Å; S363-L366 WeakPolarHBondContact O-CB 3.44Å; S363-L366 PolarHBondContact O-N 2.98Å; S363-V367 WeakPolarHBondContact O-CG2 3.35Å; S363-V367 PolarHBondContact O-N 3.28Å |
| 364 | A | 65.3 | Low | 64.1 | Low | 53 Ų | 53 | 95.9 Ų | 95.9 | 44% | 0.438 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.5 | -36.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | H360 T361 A362 S368 | H360-A364 WeakPolarHBondContact O-CB 3.23Å; T361-A364 PolarHBondContact O-N 3.29Å; A362-A364 PolarHBondContact O-N 2.91Å; A364-S368 WeakPolarHBondContact O-CB 3.48Å; A364-S368 PolarHBondContact O-N 2.99Å; A364-S368 PolarHBondContact O-OG 2.89Å |
| 365 | A | 70.6 | Confident | 65.6 | Low | 60 Ų | 60 | 94.2 Ų | 94.2 | 50% | 0.496 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.8 | -42.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T361 A362 S363 S368 A369 | T361-A365 PolarHBondContact O-N 2.87Å; T361-A365 VanDerWaalsContact O-N 3.15Å; A362-A365 PolarHBondContact O-N 3.12Å; S363-A365 VanDerWaalsContact C-N 3.33Å; S363-A365 PolarHBondContact O-N 2.94Å; A365-S368 PolarHBondContact O-N 3.15Å; A365-A369 WeakPolarHBondContact O-CB 3.41Å; A365-A369 PolarHBondContact O-N 3.3Å |
| 366 | L | 74.1 | Confident | 67.7 | Low | 94 Ų | 94 | 88.8 Ų | 88.8 | 49% | 0.492 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.7 | -50 | 176 | -170.7 | 78.2 | 0 | 0 | 0 | 111.6 | A362 S363 S368 A369 L370 | A362-L366 PolarHBondContact O-N 2.94Å; S363-L366 WeakPolarHBondContact O-CB 3.44Å; S363-L366 PolarHBondContact O-N 2.98Å; L366-S368 VanDerWaalsContact C-N 3.3Å; L366-S368 PolarHBondContact O-N 3.03Å; L366-A369 PolarHBondContact O-N 3.21Å; L366-L370 HydrophobicContact CG-CD1 4.16Å; L366-L370 WeakPolarHBondContact O-CG 3.14Å; L366-L370 PolarHBondContact O-N 3.46Å |
| 367 | V | 76.7 | Confident | 69.5 | Low | 40 Ų | 40 | 82.5 Ų | 82.5 | 24% | 0.242 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -60.4 | -39.8 | 177 | 171 | 0 | 0 | 0 | 0 | 111.2 | V348 V351 S363 L370 Q371 | V348-V367 HydrophobicContact CG1-CG1 4.29Å; V351-V367 HydrophobicContact CG1-CG2 3.71Å; S363-V367 WeakPolarHBondContact O-CG2 3.35Å; S363-V367 PolarHBondContact O-N 3.28Å; V367-L370 PolarHBondContact O-N 3.09Å; V367-Q371 VanDerWaalsContact O-CB 3.32Å; V367-Q371 WeakPolarHBondContact O-CB 3.37Å; V367-Q371 PolarHBondContact O-N 3.42Å |
| 368 | S | 78.3 | Confident | 71.2 | Confident | 78 Ų | 78 | 77.4 Ų | 77.4 | 55% | 0.545 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.9 | -40 | 175.8 | -59.9 | 0 | 0 | 0 | 0 | 112.5 | A364 A365 L366 A372 | A364-S368 WeakPolarHBondContact O-CB 3.48Å; A364-S368 PolarHBondContact O-N 2.99Å; A364-S368 PolarHBondContact O-OG 2.89Å; A365-S368 PolarHBondContact O-N 3.15Å; L366-S368 VanDerWaalsContact C-N 3.3Å; L366-S368 PolarHBondContact O-N 3.03Å; S368-A372 WeakPolarHBondContact O-CB 3.34Å; S368-A372 PolarHBondContact O-N 3.42Å |
| 369 | A | 74.7 | Confident | 73.1 | Confident | 63 Ų | 63 | 75 Ų | 75 | 52% | 0.521 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -68.9 | -41.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A365 L366 A372 R373 | A365-A369 WeakPolarHBondContact O-CB 3.41Å; A365-A369 PolarHBondContact O-N 3.3Å; L366-A369 PolarHBondContact O-N 3.21Å; A369-A372 PolarHBondContact O-N 2.9Å; A369-R373 PolarHBondContact O-N 3.17Å |
| 370 | L | 77.9 | Confident | 74.3 | Confident | 38 Ų | 38 | 72.8 Ų | 72.8 | 20% | 0.199 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -64 | -43.4 | 173.9 | -69.7 | 170.4 | 0 | 0 | 0 | 111.3 | L344 V348 L366 V367 A372 R373 I374 | L344-L370 HydrophobicContact CD2-CD2 4.19Å; V348-L370 HydrophobicContact CG2-CB 3.54Å; V348-L370 HydrophobicContact CG2-CD1 3.98Å; V348-L370 HydrophobicContact CG2-CG 4.37Å; L366-L370 HydrophobicContact CG-CD1 4.16Å; L366-L370 WeakPolarHBondContact O-CG 3.14Å; L366-L370 PolarHBondContact O-N 3.46Å; V367-L370 PolarHBondContact O-N 3.09Å; L370-A372 VanDerWaalsContact C-N 3.33Å; L370-A372 PolarHBondContact O-N 3.22Å; L370-R373 WeakPolarHBondContact O-CB 3.45Å; L370-R373 PolarHBondContact O-N 2.95Å; L370-R373 VanDerWaalsContact O-N 3.14Å; L370-I374 WeakPolarHBondContact O-CG1 3.47Å; L370-I374 PolarHBondContact O-N 2.96Å |
| 371 | Q | 79.9 | Confident | 75.8 | Confident | 84 Ų | 84 | 66.4 Ų | 66.4 | 39% | 0.393 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.2 | -38.2 | 175.3 | -171.2 | 62.1 | 69.1 | 0 | 0 | 112 | V367 I374 N375 | V367-Q371 VanDerWaalsContact O-CB 3.32Å; V367-Q371 WeakPolarHBondContact O-CB 3.37Å; V367-Q371 PolarHBondContact O-N 3.42Å; Q371-I374 PolarHBondContact O-N 2.96Å; Q371-N375 PolarHBondContact NE2-OD1 3.35Å; Q371-N375 WeakPolarHBondContact O-CB 3.35Å; Q371-N375 PolarHBondContact O-N 3.45Å; Q371-N375 PolarHBondContact O-ND2 2.93Å; Q371-N375 PolarHBondContact O-OD1 2.98Å |
| 372 | A | 81.4 | Confident | 77.1 | Confident | 57 Ų | 57 | 66.2 Ų | 66.2 | 47% | 0.471 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.5 | -39.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S368 A369 L370 N375 A376 | S368-A372 WeakPolarHBondContact O-CB 3.34Å; S368-A372 PolarHBondContact O-N 3.42Å; A369-A372 PolarHBondContact O-N 2.9Å; L370-A372 VanDerWaalsContact C-N 3.33Å; L370-A372 PolarHBondContact O-N 3.22Å; A372-N375 PolarHBondContact O-N 3.22Å; A372-A376 PolarHBondContact O-N 3.06Å |
| 373 | R | 81.5 | Confident | 78.2 | Confident | 168 Ų | 168 | 68.9 Ų | 68.9 | 63% | 0.634 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -62.5 | -46.8 | 174.5 | -166.3 | 77.2 | 177.3 | -164 | 2.1 | 111.6 | L344 A369 L370 N375 A376 L377 | L344-R373 HydrophobicContact CD1-CG 4.31Å; A369-R373 PolarHBondContact O-N 3.17Å; L370-R373 WeakPolarHBondContact O-CB 3.45Å; L370-R373 PolarHBondContact O-N 2.95Å; L370-R373 VanDerWaalsContact O-N 3.14Å; R373-N375 VanDerWaalsContact C-N 3.34Å; R373-N375 PolarHBondContact O-N 3.01Å; R373-A376 PolarHBondContact O-N 2.97Å; R373-L377 HydrophobicContact CG-CD1 4.31Å; R373-L377 WeakPolarHBondContact O-CG 3.37Å; R373-L377 PolarHBondContact O-N 2.98Å |
| 374 | I | 84.6 | Confident | 78.9 | Confident | 7 Ų | 7 | 67.1 Ų | 67.1 | 4% | 0.036 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -59.5 | -44.6 | 175.4 | -69.3 | 164 | 0 | 0 | 0 | 110.6 | L344 K345 V348 L370 Q371 A376 L377 T378 | L344-I374 HydrophobicContact CB-CD1 4.06Å; L344-I374 HydrophobicContact CB-CG1 3.71Å; K345-I374 HydrophobicContact CG-CD1 4.31Å; V348-I374 HydrophobicContact CG2-CD1 3.89Å; L370-I374 WeakPolarHBondContact O-CG1 3.47Å; L370-I374 PolarHBondContact O-N 2.96Å; Q371-I374 PolarHBondContact O-N 2.96Å; I374-A376 PolarHBondContact O-N 3.41Å; I374-L377 PolarHBondContact O-N 2.63Å; I374-T378 WeakPolarHBondContact O-CB 3.48Å; I374-T378 PolarHBondContact O-N 3.33Å; I374-T378 PolarHBondContact O-OG1 3Å |
| 375 | N | 82.8 | Confident | 79.4 | Confident | 89 Ų | 89 | 65.5 Ų | 65.5 | 48% | 0.476 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 178.6 | -67.8 | -6.9 | 0 | 0 | 0 | 111.9 | Q371 A372 R373 T378 V379 | Q371-N375 PolarHBondContact NE2-OD1 3.35Å; Q371-N375 WeakPolarHBondContact O-CB 3.35Å; Q371-N375 PolarHBondContact O-N 3.45Å; Q371-N375 PolarHBondContact O-ND2 2.93Å; Q371-N375 PolarHBondContact O-OD1 2.98Å; A372-N375 PolarHBondContact O-N 3.22Å; R373-N375 VanDerWaalsContact C-N 3.34Å; R373-N375 PolarHBondContact O-N 3.01Å; N375-T378 PolarHBondContact O-N 3.04Å; N375-V379 PolarHBondContact O-N 2.75Å; N375-V379 VanDerWaalsContact O-N 3.16Å |
| 376 | A | 83.1 | Confident | 79.6 | Confident | 61 Ų | 61 | 66.4 Ų | 66.4 | 50% | 0.504 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.7 | -49.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A372 R373 I374 T378 V379 E380 | A372-A376 PolarHBondContact O-N 3.06Å; R373-A376 PolarHBondContact O-N 2.97Å; I374-A376 PolarHBondContact O-N 3.41Å; A376-T378 VanDerWaalsContact C-N 3.26Å; A376-T378 PolarHBondContact O-N 3.12Å; A376-V379 WeakPolarHBondContact O-CB 3.43Å; A376-V379 PolarHBondContact O-N 2.83Å; A376-V379 VanDerWaalsContact O-N 3.1Å; A376-E380 PolarHBondContact O-N 3.4Å |
| 377 | L | 80.9 | Confident | 79.5 | Confident | 28 Ų | 28 | 67.1 Ų | 67.1 | 15% | 0.147 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.2 | -34 | 176.2 | -67.4 | 168.6 | 0 | 0 | 0 | 111.8 | L337 I341 L344 R373 I374 V379 E380 N381 | L337-L377 HydrophobicContact CD2-CB 4.47Å; L337-L377 WeakPolarHBondContact CD2-O 3.26Å; I341-L377 HydrophobicContact CD1-CB 3.83Å; I341-L377 HydrophobicContact CG1-CB 3.75Å; I341-L377 HydrophobicContact CG1-CD1 4.44Å; L344-L377 HydrophobicContact CD1-CD1 3.56Å; R373-L377 HydrophobicContact CG-CD1 4.31Å; R373-L377 WeakPolarHBondContact O-CG 3.37Å; R373-L377 PolarHBondContact O-N 2.98Å; I374-L377 PolarHBondContact O-N 2.63Å; L377-V379 VanDerWaalsContact C-N 3.33Å; L377-V379 PolarHBondContact O-N 2.89Å; L377-E380 PolarHBondContact O-N 2.93Å; L377-N381 WeakPolarHBondContact O-CB 3.29Å; L377-N381 PolarHBondContact O-N 2.91Å |
| 378 | T | 84.6 | Confident | 79.1 | Confident | 52 Ų | 52 | 66.6 Ų | 66.6 | 32% | 0.319 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.3 | -36.1 | 175 | -59.2 | 0 | 0 | 0 | 0 | 112.1 | I374 N375 A376 Q382 | I374-T378 WeakPolarHBondContact O-CB 3.48Å; I374-T378 PolarHBondContact O-N 3.33Å; I374-T378 PolarHBondContact O-OG1 3Å; N375-T378 PolarHBondContact O-N 3.04Å; A376-T378 VanDerWaalsContact C-N 3.26Å; A376-T378 PolarHBondContact O-N 3.12Å; T378-Q382 WeakPolarHBondContact O-CG 3.33Å; T378-Q382 PolarHBondContact O-N 2.94Å; T378-Q382 VanDerWaalsContact O-N 3.09Å |
| 379 | V | 85.5 | Confident | 78.6 | Confident | 80 Ų | 80 | 70.6 Ų | 70.6 | 49% | 0.485 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -68.7 | -43.1 | 173.2 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | N375 A376 L377 N381 Q382 E383 | N375-V379 PolarHBondContact O-N 2.75Å; N375-V379 VanDerWaalsContact O-N 3.16Å; A376-V379 WeakPolarHBondContact O-CB 3.43Å; A376-V379 PolarHBondContact O-N 2.83Å; A376-V379 VanDerWaalsContact O-N 3.1Å; L377-V379 VanDerWaalsContact C-N 3.33Å; L377-V379 PolarHBondContact O-N 2.89Å; V379-N381 VanDerWaalsContact C-N 3.33Å; V379-N381 PolarHBondContact O-N 3.38Å; V379-Q382 CarbonylContact O-C 3.59Å; V379-Q382 WeakPolarHBondContact O-CA 3.47Å; V379-Q382 WeakPolarHBondContact O-CB 3.27Å; V379-Q382 PolarHBondContact O-N 3.22Å; V379-Q382 VanDerWaalsContact O-N 3.07Å; V379-E383 PolarHBondContact O-N 3.46Å |
| 380 | E | 78.3 | Confident | 78 | Confident | 99 Ų | 99 | 77.9 Ų | 77.9 | 46% | 0.463 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -60.7 | -40.3 | 175.7 | -174.1 | 166.3 | -152.2 | 0 | 0 | 112.2 | L337 A376 L377 Q382 E383 L384 | L337-E380 HydrophobicContact CD1-CG 4.1Å; A376-E380 PolarHBondContact O-N 3.4Å; L377-E380 PolarHBondContact O-N 2.93Å; E380-Q382 VanDerWaalsContact C-N 3.34Å; E380-Q382 PolarHBondContact O-N 2.99Å; E380-E383 PolarHBondContact O-N 3.23Å; E380-E383 VanDerWaalsContact O-N 3.15Å; E380-L384 PolarHBondContact O-N 2.84Å |
| 381 | N | 84.1 | Confident | 76.9 | Confident | 15 Ų | 15 | 80.1 Ų | 80.1 | 8% | 0.08 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62.3 | -39.5 | 172.3 | -153.7 | -59.4 | 0 | 0 | 0 | 111.9 | R334 L337 L338 I341 L377 V379 E383 L384 A385 | R334-N381 PolarHBondContact NE-OD1 2.8Å; L337-N381 HydrophobicContact CD2-CB 3.66Å; L337-N381 PolarHBondContact O-ND2 2.98Å; L338-N381 WeakPolarHBondContact CD2-ND2 3.46Å; L338-N381 WeakPolarHBondContact CG-ND2 3.39Å; I341-N381 HydrophobicContact CD1-CB 4.4Å; L377-N381 WeakPolarHBondContact O-CB 3.29Å; L377-N381 PolarHBondContact O-N 2.91Å; V379-N381 VanDerWaalsContact C-N 3.33Å; V379-N381 PolarHBondContact O-N 3.38Å; N381-E383 VanDerWaalsContact C-N 3.35Å; N381-L384 PolarHBondContact O-N 3.01Å; N381-A385 VanDerWaalsContact O-CB 3.31Å; N381-A385 WeakPolarHBondContact O-CB 3.26Å; N381-A385 PolarHBondContact O-N 2.79Å |
| 382 | Q | 81.9 | Confident | 74.9 | Confident | 118 Ų | 118 | 82.3 Ų | 82.3 | 55% | 0.551 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -65.9 | -35.6 | 173.4 | -73.9 | -177.2 | 2.8 | 0 | 0 | 112.2 | T378 V379 E380 N386 | T378-Q382 WeakPolarHBondContact O-CG 3.33Å; T378-Q382 PolarHBondContact O-N 2.94Å; T378-Q382 VanDerWaalsContact O-N 3.09Å; V379-Q382 CarbonylContact O-C 3.59Å; V379-Q382 WeakPolarHBondContact O-CA 3.47Å; V379-Q382 WeakPolarHBondContact O-CB 3.27Å; V379-Q382 PolarHBondContact O-N 3.22Å; V379-Q382 VanDerWaalsContact O-N 3.07Å; E380-Q382 VanDerWaalsContact C-N 3.34Å; E380-Q382 PolarHBondContact O-N 2.99Å; Q382-N386 VanDerWaalsContact O-CB 3.27Å; Q382-N386 WeakPolarHBondContact O-CB 3.31Å; Q382-N386 PolarHBondContact O-N 2.57Å; Q382-N386 PolarHBondContact O-ND2 3.22Å |
| 383 | E | 76.1 | Confident | 72.5 | Confident | 110 Ų | 110 | 85.1 Ų | 85.1 | 51% | 0.514 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -66.7 | -44.1 | 172.3 | -70.3 | -159.5 | -177.8 | 0 | 0 | 112.6 | V379 E380 N381 N386 K387 | V379-E383 PolarHBondContact O-N 3.46Å; E380-E383 PolarHBondContact O-N 3.23Å; E380-E383 VanDerWaalsContact O-N 3.15Å; N381-E383 VanDerWaalsContact C-N 3.35Å; E383-N386 CarbonylContact O-C 3.59Å; E383-N386 PolarHBondContact O-N 3.17Å; E383-N386 VanDerWaalsContact O-N 3.16Å; E383-K387 VanDerWaalsContact O-CG 3.32Å; E383-K387 WeakPolarHBondContact O-CG 3.49Å; E383-K387 PolarHBondContact O-N 3.36Å |
| 384 | L | 75.3 | Confident | 70 | Confident | 16 Ų | 16 | 85.2 Ų | 85.2 | 8% | 0.084 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -60.2 | -45.1 | 173.4 | -71.8 | 169.7 | 0 | 0 | 0 | 111.6 | L330 L337 E380 N381 N386 K387 L388 | L330-L384 HydrophobicContact CD2-CD2 4.33Å; L337-L384 HydrophobicContact CD1-CD1 4.19Å; E380-L384 PolarHBondContact O-N 2.84Å; N381-L384 PolarHBondContact O-N 3.01Å; L384-N386 VanDerWaalsContact C-N 3.28Å; L384-N386 PolarHBondContact O-N 3.05Å; L384-K387 HydrophobicContact CD2-CD 4.32Å; L384-K387 WeakPolarHBondContact O-CB 3.44Å; L384-K387 PolarHBondContact O-N 3.24Å; L384-L388 WeakPolarHBondContact O-CG 3.35Å; L384-L388 PolarHBondContact O-N 3.08Å |
| 385 | A | 75.7 | Confident | 67.6 | Low | 18 Ų | 18 | 90.6 Ų | 90.6 | 15% | 0.149 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -62.7 | -33.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | N381 K389 | N381-A385 VanDerWaalsContact O-CB 3.31Å; N381-A385 WeakPolarHBondContact O-CB 3.26Å; N381-A385 PolarHBondContact O-N 2.79Å; A385-K389 WeakPolarHBondContact O-CB 3.36Å; A385-K389 VanDerWaalsContact O-CG 3.22Å; A385-K389 WeakPolarHBondContact O-CG 3.19Å; A385-K389 PolarHBondContact O-N 3.06Å |
| 386 | N | 73.7 | Confident | 64.9 | Low | 79 Ų | 79 | 89.4 Ų | 89.4 | 42% | 0.422 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -77.2 | -27.9 | 175.3 | -73.6 | -30.6 | 0 | 0 | 0 | 113.1 | Q382 E383 L384 R390 | Q382-N386 VanDerWaalsContact O-CB 3.27Å; Q382-N386 WeakPolarHBondContact O-CB 3.31Å; Q382-N386 PolarHBondContact O-N 2.57Å; Q382-N386 PolarHBondContact O-ND2 3.22Å; E383-N386 CarbonylContact O-C 3.59Å; E383-N386 PolarHBondContact O-N 3.17Å; E383-N386 VanDerWaalsContact O-N 3.16Å; L384-N386 VanDerWaalsContact C-N 3.28Å; L384-N386 PolarHBondContact O-N 3.05Å; N386-R390 WeakPolarHBondContact O-CG 3.29Å; N386-R390 PolarHBondContact O-N 2.98Å |
| 387 | K | 73.4 | Confident | 62.3 | Low | 110 Ų | 110 | 93.7 Ų | 93.7 | 48% | 0.478 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.3 | -50.2 | 168.4 | -71 | 161.7 | -174.4 | 165.8 | 0 | 109.9 | E383 L384 K389 R390 | E383-K387 VanDerWaalsContact O-CG 3.32Å; E383-K387 WeakPolarHBondContact O-CG 3.49Å; E383-K387 PolarHBondContact O-N 3.36Å; L384-K387 HydrophobicContact CD2-CD 4.32Å; L384-K387 WeakPolarHBondContact O-CB 3.44Å; L384-K387 PolarHBondContact O-N 3.24Å; K387-K389 VanDerWaalsContact C-N 3.34Å; K387-K389 PolarHBondContact O-N 3.1Å; K387-R390 PolarHBondContact O-N 2.75Å |
| 388 | L | 68.3 | Low | 59.8 | Low | 29 Ų | 29 | 100 Ų | 100 | 15% | 0.152 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -58 | -41.8 | 175.5 | -72.7 | 167.5 | 0 | 0 | 0 | 112.6 | V327 L330 L384 R390 L391 | V327-L388 HydrophobicContact CG1-CD2 4.47Å; L330-L388 HydrophobicContact CB-CD2 3.99Å; L384-L388 WeakPolarHBondContact O-CG 3.35Å; L384-L388 PolarHBondContact O-N 3.08Å; L388-R390 PolarHBondContact O-N 2.97Å; L388-L391 PolarHBondContact O-N 3.31Å |
| 389 | K | 67.9 | Low | 57.1 | Low | 162 Ų | 162 | 104.1 Ų | 104.1 | 70% | 0.704 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -10.7 | 175.7 | -77.8 | 171.6 | -177.4 | 173.5 | 0 | 115.5 | A385 K387 | A385-K389 WeakPolarHBondContact O-CB 3.36Å; A385-K389 VanDerWaalsContact O-CG 3.22Å; A385-K389 WeakPolarHBondContact O-CG 3.19Å; A385-K389 PolarHBondContact O-N 3.06Å; K387-K389 VanDerWaalsContact C-N 3.34Å; K387-K389 PolarHBondContact O-N 3.1Å |
| 390 | R | 60.1 | Low | 54.3 | Low | 216 Ų | 216 | 106.5 Ų | 106.5 | 82% | 0.815 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | -6.5 | 177.8 | -75.6 | 173.3 | -179.3 | -173.4 | 3.1 | 113.5 | N386 K387 L388 | N386-R390 WeakPolarHBondContact O-CG 3.29Å; N386-R390 PolarHBondContact O-N 2.98Å; K387-R390 PolarHBondContact O-N 2.75Å; L388-R390 PolarHBondContact O-N 2.97Å |
| 391 | L | 54.9 | Low | 51.9 | Low | 85 Ų | 85 | 110.5 Ų | 110.5 | 45% | 0.445 | 58% | 0.581 | S | S | . | * | S | Bend | trans | -80.4 | 139.2 | 172.9 | -69.9 | 162.7 | 0 | 0 | 0 | 110.5 | V327 L388 S393 | V327-L391 HydrophobicContact CG2-CD1 3.78Å; L388-L391 PolarHBondContact O-N 3.31Å; L391-S393 PolarHBondContact O-N 3.17Å |
| 392 | P | 38.4 | Very low | 49.1 | Very low | 129 Ų | 129 | 117.1 Ų | 117.1 | 84% | 0.838 | 62% | 0.617 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 117 | -176.7 | -16.3 | 30.9 | 0 | 0 | 0 | 112.3 | ||
| 393 | S | 31.5 | Very low | 46.6 | Very low | 117 Ų | 117 | 116.6 Ų | 116.6 | 82% | 0.818 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 134.4 | 167.5 | 51.6 | 0 | 0 | 0 | 0 | 111.3 | L391 | L391-S393 PolarHBondContact O-N 3.17Š|
| 394 | L | 28.9 | Very low | 44.6 | Very low | 170 Ų | 170 | 123 Ų | 123 | 89% | 0.89 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 148.4 | 162.9 | -80.5 | 168.5 | 0 | 0 | 0 | 109.5 | ||
| 395 | P | 33.6 | Very low | 42.9 | Very low | 119 Ų | 119 | 127.4 Ų | 127.4 | 77% | 0.773 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 148.9 | -157.4 | 36.3 | -36.5 | 0 | 0 | 0 | 115.7 | ||
| 396 | G | 27.5 | Very low | 40.7 | Very low | 64 Ų | 64 | 134 Ų | 134 | 66% | 0.66 | 71% | 0.708 | S | S | * | * | trans | 66.2 | 102.1 | 134.6 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 397 | N | 27.1 | Very low | 38.5 | Very low | 151 Ų | 151 | 136 Ų | 136 | 81% | 0.807 | 73% | 0.728 | S | S | * | * | -174.8 | 130 | 87.5 | -85.9 | 2.7 | 0 | 0 | 0 | 108.8 | |||||
| 398 | E | 28.8 | Very low | 36.5 | Very low | 162 Ų | 162 | 139.2 Ų | 139.2 | 76% | 0.757 | 75% | 0.747 | S | S | * | * | 78.1 | 111.9 | 68.3 | -108.5 | -173.1 | -138.3 | 0 | 0 | 115 | |||||
| 399 | L | 28.6 | Very low | 34.5 | Very low | 137 Ų | 137 | 142.3 Ų | 142.3 | 72% | 0.717 | 78% | 0.776 | S | S | * | * | trans | 111 | 119.2 | 146.1 | -62.1 | 163.8 | 0 | 0 | 0 | 120.3 | ||||
| 400 | N | 26.6 | Very low | 32.7 | Very low | 131 Ų | 131 | 139.8 Ų | 139.8 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | trans | 67.4 | 105.2 | 140.5 | -59.8 | 5.7 | 0 | 0 | 0 | 121.1 | ||||
| 401 | E | 27.7 | Very low | 31.1 | Very low | 182 Ų | 182 | 137.2 Ų | 137.2 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | 35.5 | 151.1 | 117.8 | -59.3 | -160.9 | 129.7 | 0 | 0 | 123.1 | |||||
| 402 | D | 25.8 | Very low | 29.6 | Very low | 154 Ų | 154 | 139.1 Ų | 139.1 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | trans | 89.1 | 149 | 153.2 | -100.2 | -24 | 0 | 0 | 0 | 122.1 | ||||
| 403 | S | 29.3 | Very low | 29 | Very low | 107 Ų | 107 | 138.6 Ų | 138.6 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | 73.8 | 96 | 164.5 | -57.9 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 404 | R | 33.5 | Very low | 28.8 | Very low | 245 Ų | 245 | 141.5 Ų | 141.5 | 93% | 0.925 | 80% | 0.8 | S | S | * | * | -65.4 | 146.5 | 129.6 | -78.1 | -176.5 | 175.4 | -173.9 | -0.1 | 108 | |||||
| 405 | P | 40.6 | Very low | 28.7 | Very low | 108 Ų | 108 | 141.2 Ų | 141.2 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | -154.5 | 175 | 69.6 | 41.2 | -20.7 | 0 | 0 | 0 | 118.4 | |||||
| 406 | N | 27.8 | Very low | 28.3 | Very low | 157 Ų | 157 | 140.3 Ų | 140.3 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | trans | 7 | 132.1 | 153.4 | -52.8 | -8 | 0 | 0 | 0 | 120.3 | ||||
| 407 | S | 28.6 | Very low | 28.3 | Very low | 121 Ų | 121 | 142.1 Ų | 142.1 | 85% | 0.846 | 79% | 0.788 | S | S | * | * | 170.3 | 161.2 | 97.4 | -167.7 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 408 | M | 31.7 | Very low | 28.2 | Very low | 178 Ų | 178 | 142.4 Ų | 142.4 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | trans | -85.8 | 149.2 | 167.3 | -59.3 | 170.9 | 64.7 | 0 | 0 | 111.7 | ||||
| 409 | A | 26.3 | Very low | 28 | Very low | 93 Ų | 93 | 140 Ų | 140 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | -175.9 | 122.2 | 136.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 410 | S | 30.2 | Very low | 27.9 | Very low | 109 Ų | 109 | 139.9 Ų | 139.9 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | trans | 52.3 | 113.9 | 132.6 | -53.2 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 411 | N | 25.1 | Very low | 27.8 | Very low | 163 Ų | 163 | 140.8 Ų | 140.8 | 87% | 0.872 | 77% | 0.771 | S | S | * | * | 45.2 | 114.3 | 125.1 | -61.8 | -0.9 | 0 | 0 | 0 | 122.9 | |||||
| 412 | S | 24.6 | Very low | 27.7 | Very low | 125 Ų | 125 | 139.6 Ų | 139.6 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | -158.5 | 157.2 | 124.7 | 49.6 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 413 | S | 26 | Very low | 28 | Very low | 118 Ų | 118 | 137.2 Ų | 137.2 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | cis | -141.3 | -175.5 | 31.3 | -167.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 414 | F | 26.8 | Very low | 28.2 | Very low | 178 Ų | 178 | 138 Ų | 138 | 78% | 0.781 | 76% | 0.763 | S | S | * | * | trans | -117 | 178.3 | -168.7 | -124.2 | -110.5 | 0 | 0 | 0 | 114.3 | ||||
| 415 | H | 26.1 | Very low | 27.8 | Very low | 163 Ų | 163 | 130.3 Ų | 130.3 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | trans | -50 | 159.8 | -174.4 | -45.3 | -54 | 0 | 0 | 0 | 117.2 | ||||
| 416 | S | 25.8 | Very low | 27.1 | Very low | 101 Ų | 101 | 134 Ų | 134 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | -173 | 129.4 | 107.4 | -144.3 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 417 | T | 27 | Very low | 26.9 | Very low | 101 Ų | 101 | 132.5 Ų | 132.5 | 62% | 0.62 | 76% | 0.757 | S | S | * | * | trans | 45.7 | 137.3 | 132.7 | 57.8 | 0 | 0 | 0 | 0 | 125.7 | ||||
| 418 | Q | 24.6 | Very low | 26.7 | Very low | 157 Ų | 157 | 130.5 Ų | 130.5 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | trans | 74 | 151.1 | 136.5 | -70.6 | 173.9 | -98.6 | 0 | 0 | 118.7 | ||||
| 419 | D | 25.5 | Very low | 26.4 | Very low | 112 Ų | 112 | 126.9 Ų | 126.9 | 60% | 0.599 | 74% | 0.74 | S | S | * | * | cis | -152.7 | 170.1 | -0.9 | -115.9 | -19.6 | 0 | 0 | 0 | 114.5 | ||||
| 420 | E | 26.5 | Very low | 26.3 | Very low | 135 Ų | 135 | 128 Ų | 128 | 63% | 0.631 | 74% | 0.737 | S | S | * | * | trans | 4.1 | 154 | 154.9 | -51.7 | -173.7 | 120.1 | 0 | 0 | 121.3 | ||||
| 421 | F | 25.6 | Very low | 25.9 | Very low | 149 Ų | 149 | 127.7 Ų | 127.7 | 65% | 0.654 | 73% | 0.73 | S | S | * | * | cis | -164.4 | 161.3 | 47.7 | -114.9 | -61.3 | 0 | 0 | 0 | 116.9 | ||||
| 422 | H | 23.8 | Very low | 26 | Very low | 157 Ų | 157 | 128.1 Ų | 128.1 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | trans | 70.2 | 102.3 | 148.4 | -76.1 | -51.7 | 0 | 0 | 0 | 122.6 | ||||
| 423 | S | 32.2 | Very low | 26 | Very low | 105 Ų | 105 | 127 Ų | 127 | 73% | 0.734 | 72% | 0.715 | S | S | * | * | -88 | 167.5 | 124.6 | 61.8 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 424 | P | 34.5 | Very low | 26 | Very low | 123 Ų | 123 | 129.1 Ų | 129.1 | 80% | 0.799 | 71% | 0.712 | S | S | * | * | -142.5 | -176.1 | 86.8 | 40.8 | -24.6 | 0 | 0 | 0 | 112.3 | |||||
| 425 | A | 24.4 | Very low | 25.9 | Very low | 84 Ų | 84 | 129.5 Ų | 129.5 | 69% | 0.694 | 72% | 0.716 | S | S | * | * | cis | -144.8 | 150.3 | 6.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 426 | Q | 25.8 | Very low | 25.8 | Very low | 184 Ų | 184 | 124.8 Ų | 124.8 | 86% | 0.86 | 71% | 0.712 | S | S | * | * | 57.6 | 132.7 | 71.4 | -95 | -172 | 13.3 | 0 | 0 | 114.1 | |||||
| 427 | V | 23.8 | Very low | 25.8 | Very low | 127 Ų | 127 | 129.6 Ų | 129.6 | 77% | 0.77 | 72% | 0.723 | S | S | * | * | cis | -150.8 | 164.8 | 7.8 | -159.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 428 | A | 23.9 | Very low | 26 | Very low | 79 Ų | 79 | 136 Ų | 136 | 65% | 0.653 | 74% | 0.736 | S | S | * | * | trans | 103.4 | 130.4 | 147.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 429 | S | 26.1 | Very low | 26.8 | Very low | 102 Ų | 102 | 134.4 Ų | 134.4 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | cis | 69.5 | 131.2 | 39.8 | 83.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 430 | T | 23.4 | Very low | 26.9 | Very low | 115 Ų | 115 | 133.4 Ų | 133.4 | 71% | 0.706 | 75% | 0.747 | S | S | * | * | cis | -164.9 | 162 | 17.7 | -15.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 431 | T | 23.5 | Very low | 27.1 | Very low | 103 Ų | 103 | 135.6 Ų | 135.6 | 63% | 0.632 | 75% | 0.754 | S | S | * | * | trans | 56.7 | 132 | 149.2 | 46.2 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 432 | Q | 25.5 | Very low | 27.2 | Very low | 172 Ų | 172 | 135.9 Ų | 135.9 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | 72.3 | 158.3 | 131.5 | -69.4 | 178.4 | -11.7 | 0 | 0 | 119.4 | ||||
| 433 | V | 24.9 | Very low | 27.5 | Very low | 102 Ų | 102 | 136.4 Ų | 136.4 | 62% | 0.618 | 76% | 0.764 | S | S | * | * | cis | -166 | 160.7 | -15.7 | 125.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 434 | E | 26.5 | Very low | 27.4 | Very low | 162 Ų | 162 | 138.8 Ų | 138.8 | 76% | 0.757 | 76% | 0.764 | S | S | * | * | trans | 64.2 | 144.9 | 159 | -85.1 | 149.9 | -161.1 | 0 | 0 | 124.4 | ||||
| 435 | E | 24.8 | Very low | 27.2 | Very low | 186 Ų | 186 | 139.2 Ų | 139.2 | 87% | 0.869 | 76% | 0.764 | S | S | * | * | trans | 57.7 | 157.7 | 144.6 | -68.8 | -179.2 | 176.3 | 0 | 0 | 122.2 | ||||
| 436 | G | 23.8 | Very low | 27.4 | Very low | 65 Ų | 65 | 138.8 Ų | 138.8 | 67% | 0.67 | 77% | 0.767 | S | S | * | * | cis | 174.9 | 138.7 | -7.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 437 | E | 25.2 | Very low | 27.8 | Very low | 202 Ų | 202 | 133.4 Ų | 133.4 | 94% | 0.944 | 76% | 0.762 | S | S | * | * | trans | 60 | 172.9 | 161.4 | -58.5 | -146.4 | 114.1 | 0 | 0 | 122.2 | ||||
| 438 | R | 32.7 | Very low | 28.3 | Very low | 236 Ų | 236 | 137.3 Ų | 137.3 | 89% | 0.891 | 77% | 0.771 | S | S | * | * | trans | -118.4 | 162 | 177.9 | -56.9 | 176.1 | -179.2 | 171.7 | -0.7 | 110.2 | ||||
| 439 | P | 40.5 | Very low | 28.8 | Very low | 122 Ų | 122 | 136.2 Ų | 136.2 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | -138.5 | 143.7 | 114.2 | 12.5 | 10.2 | 0 | 0 | 0 | 113.4 | |||||
| 440 | A | 28.3 | Very low | 29.4 | Very low | 92 Ų | 92 | 133.7 Ų | 133.7 | 76% | 0.76 | 76% | 0.758 | S | S | * | * | 68.2 | 145.8 | 84.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 441 | K | 30.4 | Very low | 30.6 | Very low | 181 Ų | 181 | 132.2 Ų | 132.2 | 79% | 0.787 | 75% | 0.752 | S | S | * | * | cis | -152.3 | 141.3 | 26.2 | -78.9 | -178.5 | 171.3 | 178.8 | 0 | 111 | ||||
| 442 | L | 27.4 | Very low | 31.7 | Very low | 155 Ų | 155 | 135.7 Ų | 135.7 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | 86.7 | 159.7 | 94.9 | -66.1 | 175.3 | 0 | 0 | 0 | 118.7 | |||||
| 443 | Q | 29.6 | Very low | 32.9 | Very low | 168 Ų | 168 | 131.9 Ų | 131.9 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | trans | 83.1 | 131.1 | 164.6 | -149.6 | 160.3 | 18.5 | 0 | 0 | 115.5 | ||||
| 444 | E | 30.6 | Very low | 34.2 | Very low | 155 Ų | 155 | 133.1 Ų | 133.1 | 72% | 0.724 | 74% | 0.74 | S | S | * | * | cis | -150.1 | 165.1 | -6 | -132.5 | 160.6 | -127 | 0 | 0 | 107.4 | ||||
| 445 | V | 30.2 | Very low | 35.5 | Very low | 132 Ų | 132 | 129.9 Ų | 129.9 | 80% | 0.8 | 73% | 0.727 | S | S | * | * | -168.8 | 162.9 | 64.4 | 174.3 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 446 | G | 28.8 | Very low | 37.2 | Very low | 74 Ų | 74 | 128.2 Ų | 128.2 | 76% | 0.763 | 71% | 0.713 | S | S | * | * | trans | -76.9 | -173.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 447 | G | 33 | Very low | 39.1 | Very low | 72 Ų | 72 | 129.8 Ų | 129.8 | 74% | 0.742 | 71% | 0.705 | S | S | * | * | cis | -171.6 | -167.6 | 3.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 448 | E | 36.2 | Very low | 40.6 | Very low | 208 Ų | 208 | 125.9 Ų | 125.9 | 97% | 0.972 | 69% | 0.69 | S | S | * | * | trans | 63.7 | 111.7 | -172.4 | -59.8 | -163.1 | 158.2 | 0 | 0 | 116.4 | ||||
| 449 | G | 34.5 | Very low | 41.5 | Very low | 56 Ų | 56 | 121.2 Ų | 121.2 | 58% | 0.577 | 68% | 0.676 | S | S | * | * | trans | 179.2 | -17.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 118 | S451 K452 | G449-S451 PolarHBondContact O-N 3.17Å; G449-K452 PolarHBondContact O-N 3.25Å | ||
| 450 | G | 37.3 | Very low | 42.3 | Very low | 50 Ų | 50 | 121.4 Ų | 121.4 | 52% | 0.515 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -54.1 | -49.5 | -167.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | K452 E453 E454 | G450-K452 VanDerWaalsContact C-N 3.28Å; G450-K452 PolarHBondContact O-N 3.31Å; G450-E453 PolarHBondContact O-N 2.98Å; G450-E454 PolarHBondContact O-N 3.34Å |
| 451 | S | 48.2 | Very low | 43.6 | Very low | 84 Ų | 84 | 119.5 Ų | 119.5 | 59% | 0.587 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -66.3 | -22.5 | -170.7 | 51.6 | 0 | 0 | 0 | 0 | 114.9 | G449 I455 | G449-S451 PolarHBondContact O-N 3.17Å; S451-I455 WeakPolarHBondContact O-CB 3.32Å; S451-I455 VanDerWaalsContact O-CD1 3.3Å; S451-I455 WeakPolarHBondContact O-CD1 3.32Å; S451-I455 WeakPolarHBondContact O-CG1 3.21Å; S451-I455 PolarHBondContact O-N 3.42Å |
| 452 | K | 47.8 | Very low | 44.7 | Very low | 176 Ų | 176 | 115.8 Ų | 115.8 | 77% | 0.765 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -76.8 | -41.2 | 174.1 | -81.1 | -176.2 | 178.2 | 174.6 | 0 | 112.4 | G449 G450 I455 R456 | G449-K452 PolarHBondContact O-N 3.25Å; G450-K452 VanDerWaalsContact C-N 3.28Å; G450-K452 PolarHBondContact O-N 3.31Å; K452-I455 PolarHBondContact O-N 3.48Å; K452-R456 WeakPolarHBondContact O-CB 3.47Å; K452-R456 PolarHBondContact O-N 2.95Å |
| 453 | E | 50.3 | Low | 46.1 | Very low | 92 Ų | 92 | 113.7 Ų | 113.7 | 43% | 0.43 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -78 | -32.2 | -179.3 | -158.1 | 65.9 | -177.1 | 0 | 0 | 111.4 | G450 R456 I457 | G450-E453 PolarHBondContact O-N 2.98Å; E453-R456 WeakPolarHBondContact O-CB 3.41Å; E453-R456 PolarHBondContact O-N 2.95Å; E453-R456 WeakPolarHBondContact OE1-CD 3.48Å; E453-R456 IonicContact OE1-CZ 2.85Å; E453-R456 IonicContact OE1-NH1 3.05Å; E453-R456 PolarHBondContact OE1-NH1 3.27Å; E453-R456 VanDerWaalsContact OE1-NH1 3.16Å; E453-R456 WeakPolarHBondContact OE2-CD 3.47Å; E453-R456 IonicContact OE2-NH1 3.76Å; E453-R456 PolarHBondContact OE2-NH1 2.84Å; E453-I457 HydrophobicContact CG-CD1 4.23Å; E453-I457 WeakPolarHBondContact O-CB 3.31Å; E453-I457 VanDerWaalsContact O-CG1 3.26Å; E453-I457 WeakPolarHBondContact O-CG1 3.41Å; E453-I457 PolarHBondContact O-N 2.83Å |
| 454 | E | 52.4 | Low | 47.3 | Very low | 127 Ų | 127 | 107 Ų | 107 | 59% | 0.593 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -60.3 | -46.2 | 167.7 | -72.4 | 178 | 161 | 0 | 0 | 111.8 | G450 R456 I457 L458 | G450-E454 PolarHBondContact O-N 3.34Å; E454-R456 VanDerWaalsContact C-N 3.26Å; E454-R456 PolarHBondContact O-N 3.25Å; E454-I457 PolarHBondContact O-N 3.18Å; E454-L458 VanDerWaalsContact O-CB 3.31Å; E454-L458 WeakPolarHBondContact O-CB 3.37Å; E454-L458 VanDerWaalsContact O-CG 3.22Å; E454-L458 WeakPolarHBondContact O-CG 3.28Å; E454-L458 PolarHBondContact O-N 3.36Å |
| 455 | I | 54 | Low | 48.8 | Very low | 95 Ų | 95 | 105.2 Ų | 105.2 | 49% | 0.487 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -61.8 | -34.9 | 174 | -73.5 | 170 | 0 | 0 | 0 | 111.5 | S451 K452 K459 | S451-I455 WeakPolarHBondContact O-CB 3.32Å; S451-I455 VanDerWaalsContact O-CD1 3.3Å; S451-I455 WeakPolarHBondContact O-CD1 3.32Å; S451-I455 WeakPolarHBondContact O-CG1 3.21Å; S451-I455 PolarHBondContact O-N 3.42Å; K452-I455 PolarHBondContact O-N 3.48Å; I455-K459 HydrophobicContact CG2-CD 4.35Å; I455-K459 WeakPolarHBondContact O-CB 3.41Å; I455-K459 VanDerWaalsContact O-CG 3.31Å; I455-K459 WeakPolarHBondContact O-CG 3.22Å; I455-K459 PolarHBondContact O-N 3.1Å |
| 456 | R | 60.3 | Low | 49.9 | Very low | 150 Ų | 150 | 104.1 Ų | 104.1 | 57% | 0.566 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -68.9 | -47.5 | 177 | -167.7 | -172.2 | -171 | -178.6 | 2.4 | 112 | K452 E453 E454 L458 K459 Q460 | K452-R456 WeakPolarHBondContact O-CB 3.47Å; K452-R456 PolarHBondContact O-N 2.95Å; E453-R456 WeakPolarHBondContact O-CB 3.41Å; E453-R456 PolarHBondContact O-N 2.95Å; E453-R456 WeakPolarHBondContact OE1-CD 3.48Å; E453-R456 IonicContact OE1-CZ 2.85Å; E453-R456 IonicContact OE1-NH1 3.05Å; E453-R456 PolarHBondContact OE1-NH1 3.27Å; E453-R456 VanDerWaalsContact OE1-NH1 3.16Å; E453-R456 WeakPolarHBondContact OE2-CD 3.47Å; E453-R456 IonicContact OE2-NH1 3.76Å; E453-R456 PolarHBondContact OE2-NH1 2.84Å; E454-R456 VanDerWaalsContact C-N 3.26Å; E454-R456 PolarHBondContact O-N 3.25Å; R456-L458 VanDerWaalsContact C-N 3.33Å; R456-L458 PolarHBondContact O-N 3.1Å; R456-K459 PolarHBondContact O-N 2.91Å; R456-Q460 WeakPolarHBondContact O-CB 3.44Å; R456-Q460 PolarHBondContact O-N 2.88Å |
| 457 | I | 64 | Low | 51.8 | Low | 99 Ų | 99 | 105 Ų | 105 | 51% | 0.508 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.3 | -41.9 | 176.5 | -68.3 | 164.2 | 0 | 0 | 0 | 110.1 | E453 E454 Q460 A461 | E453-I457 HydrophobicContact CG-CD1 4.23Å; E453-I457 WeakPolarHBondContact O-CB 3.31Å; E453-I457 VanDerWaalsContact O-CG1 3.26Å; E453-I457 WeakPolarHBondContact O-CG1 3.41Å; E453-I457 PolarHBondContact O-N 2.83Å; E454-I457 PolarHBondContact O-N 3.18Å; I457-Q460 PolarHBondContact O-N 3.06Å; I457-A461 VanDerWaalsContact O-CB 3.26Å; I457-A461 WeakPolarHBondContact O-CB 3.14Å; I457-A461 PolarHBondContact O-N 3.4Å |
| 458 | L | 55.8 | Low | 53.2 | Low | 120 Ų | 120 | 107.9 Ų | 107.9 | 63% | 0.628 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.9 | -39.1 | 175.5 | -73.3 | 168.6 | 0 | 0 | 0 | 112.5 | E454 R456 L462 | E454-L458 VanDerWaalsContact O-CB 3.31Å; E454-L458 WeakPolarHBondContact O-CB 3.37Å; E454-L458 VanDerWaalsContact O-CG 3.22Å; E454-L458 WeakPolarHBondContact O-CG 3.28Å; E454-L458 PolarHBondContact O-N 3.36Å; R456-L458 VanDerWaalsContact C-N 3.33Å; R456-L458 PolarHBondContact O-N 3.1Å; L458-L462 VanDerWaalsContact O-CB 3.3Å; L458-L462 WeakPolarHBondContact O-CB 3.37Å; L458-L462 PolarHBondContact O-N 3.4Å |
| 459 | K | 52.4 | Low | 54.4 | Low | 137 Ų | 137 | 102.3 Ų | 102.3 | 60% | 0.596 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.9 | -47.6 | 172.4 | -79.8 | 179.4 | 175.8 | -169.5 | 0 | 111.9 | I455 R456 A461 L462 E463 | I455-K459 HydrophobicContact CG2-CD 4.35Å; I455-K459 WeakPolarHBondContact O-CB 3.41Å; I455-K459 VanDerWaalsContact O-CG 3.31Å; I455-K459 WeakPolarHBondContact O-CG 3.22Å; I455-K459 PolarHBondContact O-N 3.1Å; R456-K459 PolarHBondContact O-N 2.91Å; K459-A461 VanDerWaalsContact C-N 3.3Å; K459-A461 PolarHBondContact O-N 3.28Å; K459-L462 CarbonylContact O-C 3.51Å; K459-L462 WeakPolarHBondContact O-CA 3.27Å; K459-L462 WeakPolarHBondContact O-CB 3.34Å; K459-L462 PolarHBondContact O-N 2.98Å; K459-E463 WeakPolarHBondContact O-CG 3.5Å; K459-E463 PolarHBondContact O-N 3.13Å |
| 460 | Q | 57.9 | Low | 55.5 | Low | 127 Ų | 127 | 105.3 Ų | 105.3 | 59% | 0.593 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.1 | -33.1 | -179.6 | -163.1 | 172.7 | 13 | 0 | 0 | 112.1 | R456 I457 G464 | R456-Q460 WeakPolarHBondContact O-CB 3.44Å; R456-Q460 PolarHBondContact O-N 2.88Å; I457-Q460 PolarHBondContact O-N 3.06Å; Q460-G464 PolarHBondContact O-N 2.68Å |
| 461 | A | 54.8 | Low | 56.5 | Low | 52 Ų | 52 | 107.9 Ų | 107.9 | 43% | 0.43 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.9 | -37.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I457 K459 G464 L465 | I457-A461 VanDerWaalsContact O-CB 3.26Å; I457-A461 WeakPolarHBondContact O-CB 3.14Å; I457-A461 PolarHBondContact O-N 3.4Å; K459-A461 VanDerWaalsContact C-N 3.3Å; K459-A461 PolarHBondContact O-N 3.28Å; A461-G464 PolarHBondContact O-N 3.09Å; A461-L465 WeakPolarHBondContact O-CB 3.41Å; A461-L465 WeakPolarHBondContact O-CG 3.28Å; A461-L465 PolarHBondContact O-N 2.8Å |
| 462 | L | 54 | Low | 57.1 | Low | 102 Ų | 102 | 107.4 Ų | 107.4 | 53% | 0.534 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70.5 | -39.2 | 176.7 | -171.4 | 146.8 | 0 | 0 | 0 | 111.9 | L458 K459 L465 Q466 | L458-L462 VanDerWaalsContact O-CB 3.3Å; L458-L462 WeakPolarHBondContact O-CB 3.37Å; L458-L462 PolarHBondContact O-N 3.4Å; K459-L462 CarbonylContact O-C 3.51Å; K459-L462 WeakPolarHBondContact O-CA 3.27Å; K459-L462 WeakPolarHBondContact O-CB 3.34Å; K459-L462 PolarHBondContact O-N 2.98Å; L462-L465 PolarHBondContact O-N 3.18Å; L462-Q466 HydrophobicContact CD2-CG 4.27Å; L462-Q466 WeakPolarHBondContact O-CG 3.37Å; L462-Q466 PolarHBondContact O-N 2.94Å |
| 463 | E | 56.5 | Low | 57.8 | Low | 111 Ų | 111 | 104.8 Ų | 104.8 | 52% | 0.519 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.8 | -46.7 | 169 | -72.2 | 171.2 | 156.9 | 0 | 0 | 110.6 | K459 L465 Q466 I467 | K459-E463 WeakPolarHBondContact O-CG 3.5Å; K459-E463 PolarHBondContact O-N 3.13Å; E463-L465 VanDerWaalsContact C-N 3.26Å; E463-L465 PolarHBondContact O-N 3.41Å; E463-Q466 PolarHBondContact O-N 3Å; E463-Q466 VanDerWaalsContact O-N 3.1Å; E463-I467 WeakPolarHBondContact O-CG1 3.44Å; E463-I467 PolarHBondContact O-N 3.3Å |
| 464 | G | 53.8 | Low | 58.3 | Low | 27 Ų | 27 | 107.6 Ų | 107.6 | 28% | 0.278 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.1 | -30.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q460 A461 K468 | Q460-G464 PolarHBondContact O-N 2.68Å; A461-G464 PolarHBondContact O-N 3.09Å; G464-K468 WeakPolarHBondContact O-CG 3.3Å; G464-K468 PolarHBondContact O-N 2.7Å |
| 465 | L | 62.9 | Low | 58.7 | Low | 118 Ų | 118 | 107.1 Ų | 107.1 | 62% | 0.618 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -78.3 | -34.5 | 172 | -75.2 | 171.9 | 0 | 0 | 0 | 112.6 | A461 L462 E463 K468 L469 | A461-L465 WeakPolarHBondContact O-CB 3.41Å; A461-L465 WeakPolarHBondContact O-CG 3.28Å; A461-L465 PolarHBondContact O-N 2.8Å; L462-L465 PolarHBondContact O-N 3.18Å; E463-L465 VanDerWaalsContact C-N 3.26Å; E463-L465 PolarHBondContact O-N 3.41Å; L465-K468 PolarHBondContact O-N 2.86Å; L465-L469 VanDerWaalsContact O-CB 3.3Å; L465-L469 WeakPolarHBondContact O-CB 3.24Å; L465-L469 PolarHBondContact O-N 3.08Å |
| 466 | Q | 52.3 | Low | 58.4 | Low | 110 Ų | 110 | 107.1 Ų | 107.1 | 51% | 0.514 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.8 | -40.1 | 172.8 | -78.5 | -178.1 | -37.1 | 0 | 0 | 111.9 | L462 E463 L469 L470 | L462-Q466 HydrophobicContact CD2-CG 4.27Å; L462-Q466 WeakPolarHBondContact O-CG 3.37Å; L462-Q466 PolarHBondContact O-N 2.94Å; E463-Q466 PolarHBondContact O-N 3Å; E463-Q466 VanDerWaalsContact O-N 3.1Å; Q466-L469 PolarHBondContact O-N 3.41Å; Q466-L470 WeakPolarHBondContact O-CG 3.29Å; Q466-L470 PolarHBondContact O-N 2.94Å |
| 467 | I | 70 | Confident | 58.3 | Low | 93 Ų | 93 | 103.9 Ų | 103.9 | 48% | 0.477 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.6 | -51.2 | 172.5 | -68.7 | 164.4 | 0 | 0 | 0 | 109.5 | E463 L469 L470 E471 | E463-I467 WeakPolarHBondContact O-CG1 3.44Å; E463-I467 PolarHBondContact O-N 3.3Å; I467-L469 VanDerWaalsContact C-N 3.28Å; I467-L469 PolarHBondContact O-N 3.4Å; I467-L470 CarbonylContact O-C 3.46Å; I467-L470 WeakPolarHBondContact O-CA 2.89Å; I467-L470 WeakPolarHBondContact O-CB 3.44Å; I467-L470 PolarHBondContact O-N 2.73Å; I467-E471 HydrophobicContact CG2-CG 4.33Å; I467-E471 WeakPolarHBondContact O-CG 3.32Å; I467-E471 PolarHBondContact O-N 2.85Å |
| 468 | K | 61.9 | Low | 57.8 | Low | 132 Ų | 132 | 103.9 Ų | 103.9 | 57% | 0.574 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.2 | -30.3 | 177.1 | -72.7 | 173.5 | -178.1 | 179.5 | 0 | 113.8 | G464 L465 T472 | G464-K468 WeakPolarHBondContact O-CG 3.3Å; G464-K468 PolarHBondContact O-N 2.7Å; L465-K468 PolarHBondContact O-N 2.86Å; K468-T472 WeakPolarHBondContact O-CB 3.38Å; K468-T472 WeakPolarHBondContact O-CG2 3.22Å; K468-T472 PolarHBondContact O-N 3.49Å; K468-T472 PolarHBondContact O-OG1 3.28Å |
| 469 | L | 60.8 | Low | 57.7 | Low | 90 Ų | 90 | 103.1 Ų | 103.1 | 47% | 0.471 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -71.8 | -33 | 173.1 | -173.8 | 66.7 | 0 | 0 | 0 | 111.9 | L465 Q466 I467 T472 K473 | L465-L469 VanDerWaalsContact O-CB 3.3Å; L465-L469 WeakPolarHBondContact O-CB 3.24Å; L465-L469 PolarHBondContact O-N 3.08Å; Q466-L469 PolarHBondContact O-N 3.41Å; I467-L469 VanDerWaalsContact C-N 3.28Å; I467-L469 PolarHBondContact O-N 3.4Å; L469-T472 WeakPolarHBondContact CA-OG1 3.45Å; L469-T472 PolarHBondContact O-OG1 3.42Å; L469-K473 HydrophobicContact CG-CD 4.46Å; L469-K473 VanDerWaalsContact O-CB 3.27Å; L469-K473 WeakPolarHBondContact O-CB 3.18Å; L469-K473 WeakPolarHBondContact O-CD 3.37Å; L469-K473 WeakPolarHBondContact O-CG 3.11Å; L469-K473 PolarHBondContact O-N 2.88Å; L469-K473 VanDerWaalsContact O-N 3.1Å |
| 470 | L | 58 | Low | 57.4 | Low | 119 Ų | 119 | 102.5 Ų | 102.5 | 62% | 0.623 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -74.2 | -40.5 | 172.8 | -77 | 164.8 | 0 | 0 | 0 | 111.7 | Q466 I467 K473 K474 | Q466-L470 WeakPolarHBondContact O-CG 3.29Å; Q466-L470 PolarHBondContact O-N 2.94Å; I467-L470 CarbonylContact O-C 3.46Å; I467-L470 WeakPolarHBondContact O-CA 2.89Å; I467-L470 WeakPolarHBondContact O-CB 3.44Å; I467-L470 PolarHBondContact O-N 2.73Å; L470-K473 PolarHBondContact O-N 2.67Å; L470-K474 VanDerWaalsContact O-CB 3.3Å; L470-K474 WeakPolarHBondContact O-CB 3.3Å; L470-K474 PolarHBondContact O-N 3.33Å |
| 471 | E | 59.6 | Low | 57 | Low | 104 Ų | 104 | 99 Ų | 99 | 49% | 0.486 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.6 | -52.6 | 173.8 | -70.1 | 172 | 146.1 | 0 | 0 | 110.9 | I467 K473 K474 E475 | I467-E471 HydrophobicContact CG2-CG 4.33Å; I467-E471 WeakPolarHBondContact O-CG 3.32Å; I467-E471 PolarHBondContact O-N 2.85Å; E471-K473 VanDerWaalsContact C-N 3.31Å; E471-K473 PolarHBondContact O-N 3.27Å; E471-K474 CarbonylContact O-C 3.57Å; E471-K474 WeakPolarHBondContact O-CA 3.18Å; E471-K474 WeakPolarHBondContact O-CB 3.31Å; E471-K474 PolarHBondContact O-N 2.92Å; E471-E475 WeakPolarHBondContact O-CG 3.16Å; E471-E475 PolarHBondContact O-N 3.13Å |
| 472 | T | 59.6 | Low | 56.7 | Low | 74 Ų | 74 | 102.1 Ų | 102.1 | 45% | 0.454 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.2 | -30.4 | 177.9 | 50.2 | 0 | 0 | 0 | 0 | 113.1 | K468 L469 N476 | K468-T472 WeakPolarHBondContact O-CB 3.38Å; K468-T472 WeakPolarHBondContact O-CG2 3.22Å; K468-T472 PolarHBondContact O-N 3.49Å; K468-T472 PolarHBondContact O-OG1 3.28Å; L469-T472 WeakPolarHBondContact CA-OG1 3.45Å; L469-T472 PolarHBondContact O-OG1 3.42Å; T472-N476 WeakPolarHBondContact O-CB 3.3Å; T472-N476 PolarHBondContact O-N 2.91Å |
| 473 | K | 62.4 | Low | 56.2 | Low | 122 Ų | 122 | 103.6 Ų | 103.6 | 53% | 0.53 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.5 | -40.2 | 168.6 | -79.5 | 174.2 | 179.7 | -177.5 | 0 | 112.3 | L469 L470 E471 N476 C477 | L469-K473 HydrophobicContact CG-CD 4.46Å; L469-K473 VanDerWaalsContact O-CB 3.27Å; L469-K473 WeakPolarHBondContact O-CB 3.18Å; L469-K473 WeakPolarHBondContact O-CD 3.37Å; L469-K473 WeakPolarHBondContact O-CG 3.11Å; L469-K473 PolarHBondContact O-N 2.88Å; L469-K473 VanDerWaalsContact O-N 3.1Å; L470-K473 PolarHBondContact O-N 2.67Å; E471-K473 VanDerWaalsContact C-N 3.31Å; E471-K473 PolarHBondContact O-N 3.27Å; K473-N476 PolarHBondContact O-N 2.95Å; K473-C477 PolarHBondContact O-N 3.2Å; K473-C477 PolarHBondContact O-SG 3.01Å; K473-C477 VanDerWaalsContact O-SG 3.41Å |
| 474 | K | 61 | Low | 55.5 | Low | 150 Ų | 150 | 102.5 Ų | 102.5 | 65% | 0.652 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64 | -42.2 | 175.2 | -172.4 | 177.8 | -179.3 | 179.8 | 0 | 110.7 | L470 E471 C477 L478 | L470-K474 VanDerWaalsContact O-CB 3.3Å; L470-K474 WeakPolarHBondContact O-CB 3.3Å; L470-K474 PolarHBondContact O-N 3.33Å; E471-K474 CarbonylContact O-C 3.57Å; E471-K474 WeakPolarHBondContact O-CA 3.18Å; E471-K474 WeakPolarHBondContact O-CB 3.31Å; E471-K474 PolarHBondContact O-N 2.92Å; K474-C477 PolarHBondContact O-N 3.47Å; K474-L478 HydrophobicContact CG-CD1 4.25Å; K474-L478 WeakPolarHBondContact O-CB 3.42Å; K474-L478 VanDerWaalsContact O-CG 3.22Å; K474-L478 WeakPolarHBondContact O-CG 3.45Å; K474-L478 PolarHBondContact O-N 3.04Å |
| 475 | E | 60.3 | Low | 55 | Low | 117 Ų | 117 | 103.3 Ų | 103.3 | 55% | 0.547 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 171.3 | -70.5 | -179 | 148.6 | 0 | 0 | 112 | E471 L478 L479 | E471-E475 WeakPolarHBondContact O-CG 3.16Å; E471-E475 PolarHBondContact O-N 3.13Å; E475-L478 PolarHBondContact O-N 2.89Å; E475-L479 WeakPolarHBondContact O-CB 3.46Å; E475-L479 VanDerWaalsContact O-CG 3.31Å; E475-L479 WeakPolarHBondContact O-CG 3.49Å; E475-L479 PolarHBondContact O-N 3.25Å |
| 476 | N | 48 | Very low | 53.9 | Low | 95 Ų | 95 | 102.9 Ų | 102.9 | 51% | 0.508 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.1 | -43.4 | 177.2 | -149.9 | -88.6 | 0 | 0 | 0 | 112 | T472 K473 L478 L479 Q480 | T472-N476 WeakPolarHBondContact O-CB 3.3Å; T472-N476 PolarHBondContact O-N 2.91Å; K473-N476 PolarHBondContact O-N 2.95Å; N476-L478 VanDerWaalsContact C-N 3.33Å; N476-L478 PolarHBondContact O-N 3.5Å; N476-L479 PolarHBondContact O-N 2.92Å; N476-Q480 PolarHBondContact O-N 3.37Å |
| 477 | C | 59.1 | Low | 53.3 | Low | 82 Ų | 82 | 107.8 Ų | 107.8 | 55% | 0.554 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.8 | -37.4 | 172.1 | -70.7 | 0 | 0 | 0 | 0 | 112.3 | K473 K474 A481 | K473-C477 PolarHBondContact O-N 3.2Å; K473-C477 PolarHBondContact O-SG 3.01Å; K473-C477 VanDerWaalsContact O-SG 3.41Å; K474-C477 PolarHBondContact O-N 3.47Å; C477-A481 VanDerWaalsContact O-CB 3.25Å; C477-A481 WeakPolarHBondContact O-CB 3.27Å; C477-A481 PolarHBondContact O-N 3.36Å |
| 478 | L | 53.8 | Low | 51.9 | Low | 99 Ų | 99 | 111.3 Ų | 111.3 | 52% | 0.518 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -68.1 | -38.2 | 175.1 | -75.5 | 166.6 | 0 | 0 | 0 | 112 | K474 E475 N476 A481 Q482 | K474-L478 HydrophobicContact CG-CD1 4.25Å; K474-L478 WeakPolarHBondContact O-CB 3.42Å; K474-L478 VanDerWaalsContact O-CG 3.22Å; K474-L478 WeakPolarHBondContact O-CG 3.45Å; K474-L478 PolarHBondContact O-N 3.04Å; E475-L478 PolarHBondContact O-N 2.89Å; N476-L478 VanDerWaalsContact C-N 3.33Å; N476-L478 PolarHBondContact O-N 3.5Å; L478-A481 PolarHBondContact O-N 3Å; L478-Q482 WeakPolarHBondContact O-CB 3.5Å; L478-Q482 WeakPolarHBondContact O-CG 3.47Å; L478-Q482 PolarHBondContact O-N 3.2Å |
| 479 | L | 53.4 | Low | 50.9 | Low | 104 Ų | 104 | 113.2 Ų | 113.2 | 55% | 0.545 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -67.6 | -40.3 | 174.4 | -73 | 166.2 | 0 | 0 | 0 | 111.8 | E475 N476 Q482 L483 | E475-L479 WeakPolarHBondContact O-CB 3.46Å; E475-L479 VanDerWaalsContact O-CG 3.31Å; E475-L479 WeakPolarHBondContact O-CG 3.49Å; E475-L479 PolarHBondContact O-N 3.25Å; N476-L479 PolarHBondContact O-N 2.92Å; L479-Q482 PolarHBondContact O-N 3.06Å; L479-L483 PolarHBondContact O-N 2.93Å |
| 480 | Q | 44.9 | Very low | 49.9 | Very low | 124 Ų | 124 | 114 Ų | 114 | 58% | 0.579 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.7 | -40 | 170.5 | -79.6 | -173.5 | -36.6 | 0 | 0 | 112.1 | N476 Q482 L483 N484 | N476-Q480 PolarHBondContact O-N 3.37Å; Q480-Q482 VanDerWaalsContact C-N 3.34Å; Q480-Q482 PolarHBondContact O-N 3.31Å; Q480-L483 PolarHBondContact O-N 3.42Å; Q480-N484 WeakPolarHBondContact O-CB 3.43Å; Q480-N484 VanDerWaalsContact O-CG 3.3Å; Q480-N484 PolarHBondContact O-N 2.85Å; Q480-N484 PolarHBondContact O-ND2 2.74Å |
| 481 | A | 50.5 | Low | 48.7 | Very low | 53 Ų | 53 | 111.2 Ų | 111.2 | 44% | 0.438 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.6 | -35.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | C477 L478 N484 S485 | C477-A481 VanDerWaalsContact O-CB 3.25Å; C477-A481 WeakPolarHBondContact O-CB 3.27Å; C477-A481 PolarHBondContact O-N 3.36Å; L478-A481 PolarHBondContact O-N 3Å; A481-N484 PolarHBondContact O-N 3.28Å; A481-S485 WeakPolarHBondContact O-CB 3.15Å; A481-S485 PolarHBondContact O-N 2.77Å |
| 482 | Q | 48.4 | Very low | 47.6 | Very low | 118 Ų | 118 | 113 Ų | 113 | 55% | 0.551 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -67.8 | -44.9 | 172.3 | -76.8 | 178.7 | -40.8 | 0 | 0 | 111.7 | L478 L479 Q480 N484 S485 D486 | L478-Q482 WeakPolarHBondContact O-CB 3.5Å; L478-Q482 WeakPolarHBondContact O-CG 3.47Å; L478-Q482 PolarHBondContact O-N 3.2Å; L479-Q482 PolarHBondContact O-N 3.06Å; Q480-Q482 VanDerWaalsContact C-N 3.34Å; Q480-Q482 PolarHBondContact O-N 3.31Å; Q482-N484 PolarHBondContact O-N 3.11Å; Q482-S485 PolarHBondContact O-N 2.8Å; Q482-S485 VanDerWaalsContact O-N 3.13Å; Q482-D486 PolarHBondContact O-N 3.15Å |
| 483 | L | 43 | Very low | 46.8 | Very low | 134 Ų | 134 | 118.9 Ų | 118.9 | 70% | 0.702 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -58.3 | -37.1 | 175 | -130.4 | 82.6 | 0 | 0 | 0 | 112.4 | L479 Q480 R487 | L479-L483 PolarHBondContact O-N 2.93Å; Q480-L483 PolarHBondContact O-N 3.42Å; L483-R487 PolarHBondContact O-N 3.46Å |
| 484 | N | 42.5 | Very low | 45.9 | Very low | 87 Ų | 87 | 118.2 Ų | 118.2 | 47% | 0.465 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -77.5 | -35 | 175.9 | -68.6 | -16.4 | 0 | 0 | 0 | 112.4 | Q480 A481 Q482 D486 R487 Q488 | Q480-N484 WeakPolarHBondContact O-CB 3.43Å; Q480-N484 VanDerWaalsContact O-CG 3.3Å; Q480-N484 PolarHBondContact O-N 2.85Å; Q480-N484 PolarHBondContact O-ND2 2.74Å; A481-N484 PolarHBondContact O-N 3.28Å; Q482-N484 PolarHBondContact O-N 3.11Å; N484-D486 VanDerWaalsContact C-N 3.34Å; N484-D486 PolarHBondContact O-N 3.18Å; N484-R487 WeakPolarHBondContact O-CB 3.46Å; N484-R487 PolarHBondContact O-N 3.24Å; N484-Q488 PolarHBondContact O-N 3.41Å |
| 485 | S | 43 | Very low | 45.1 | Very low | 45 Ų | 45 | 111.6 Ų | 111.6 | 32% | 0.315 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66.2 | -35 | 175.8 | -177.2 | 0 | 0 | 0 | 0 | 112.6 | A481 Q482 R487 Q488 R489 | A481-S485 WeakPolarHBondContact O-CB 3.15Å; A481-S485 PolarHBondContact O-N 2.77Å; Q482-S485 PolarHBondContact O-N 2.8Å; Q482-S485 VanDerWaalsContact O-N 3.13Å; S485-R487 VanDerWaalsContact C-N 3.32Å; S485-Q488 PolarHBondContact O-N 2.92Å; S485-R489 WeakPolarHBondContact O-CG 3.36Å; S485-R489 PolarHBondContact O-N 2.76Å |
| 486 | D | 39.2 | Very low | 44.2 | Very low | 108 Ų | 108 | 109.5 Ų | 109.5 | 58% | 0.578 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -77.2 | -20.3 | 174.9 | -68.8 | -13.4 | 0 | 0 | 0 | 112.1 | Q482 N484 R489 | Q482-D486 PolarHBondContact O-N 3.15Å; N484-D486 VanDerWaalsContact C-N 3.34Å; N484-D486 PolarHBondContact O-N 3.18Å; D486-R489 IonicContact OD1-CZ 2.59Å; D486-R489 IonicContact OD1-NE 3.86Å; D486-R489 IonicContact OD1-NH2 3.78Å; D486-R489 PolarHBondContact OD1-NH2 3.49Å |
| 487 | R | 39 | Very low | 44 | Very low | 214 Ų | 214 | 107.4 Ų | 107.4 | 81% | 0.808 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -73.3 | -30.9 | 163.8 | -90.5 | -176.4 | 160.6 | -149.4 | -7.7 | 113.5 | L483 N484 S485 | L483-R487 PolarHBondContact O-N 3.46Å; N484-R487 WeakPolarHBondContact O-CB 3.46Å; N484-R487 PolarHBondContact O-N 3.24Å; S485-R487 VanDerWaalsContact C-N 3.32Å |
| 488 | Q | 42 | Very low | 43.3 | Very low | 166 Ų | 166 | 109.6 Ų | 109.6 | 78% | 0.776 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -99.2 | 16.6 | -175.3 | -69.2 | -174.7 | -77.7 | 0 | 0 | 114.6 | N484 S485 | N484-Q488 PolarHBondContact O-N 3.41Å; S485-Q488 PolarHBondContact O-N 2.92Å |
| 489 | R | 40 | Very low | 42.9 | Very low | 173 Ų | 173 | 110.7 Ų | 110.7 | 65% | 0.653 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -116.9 | 21.7 | 179.1 | -81 | -167.6 | -69.6 | -175.9 | 1 | 115.5 | S485 D486 | S485-R489 WeakPolarHBondContact O-CG 3.36Å; S485-R489 PolarHBondContact O-N 2.76Å; D486-R489 IonicContact OD1-CZ 2.59Å; D486-R489 IonicContact OD1-NE 3.86Å; D486-R489 IonicContact OD1-NH2 3.78Å; D486-R489 PolarHBondContact OD1-NH2 3.49Å |
| 490 | Q | 39.7 | Very low | 42.4 | Very low | 106 Ų | 106 | 111.3 Ų | 111.3 | 50% | 0.495 | 56% | 0.564 | S | S | . | * | trans | -135.2 | 117.6 | 167 | -69.7 | -166.8 | -34.5 | 0 | 0 | 110.9 | ||||
| 491 | G | 34.2 | Very low | 42.7 | Very low | 61 Ų | 61 | 109.6 Ų | 109.6 | 63% | 0.629 | 56% | 0.558 | S | S | * | * | trans | 136.1 | 109.3 | -174 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 492 | D | 36.6 | Very low | 42.6 | Very low | 141 Ų | 141 | 111.4 Ų | 111.4 | 75% | 0.754 | 56% | 0.556 | S | S | * | * | S | Bend | cis | -136.9 | 163.6 | -1.6 | -72.9 | -62.4 | 0 | 0 | 0 | 108.4 | ||
| 493 | E | 41.9 | Very low | 42.6 | Very low | 197 Ų | 197 | 112 Ų | 112 | 92% | 0.921 | 56% | 0.559 | S | S | * | * | S | Bend | cis | -125.3 | 89.1 | 22.7 | -58.5 | 174.3 | 126.9 | 0 | 0 | 113 | ||
| 494 | D | 43.6 | Very low | 43 | Very low | 109 Ų | 109 | 111.6 Ų | 111.6 | 58% | 0.583 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -155.3 | 22.9 | 150.6 | -159.9 | 14.8 | 0 | 0 | 0 | 110.3 | R498 | D494-R498 WeakPolarHBondContact O-CB 3.46Å; D494-R498 PolarHBondContact O-N 3.48Å |
| 495 | G | 44.5 | Very low | 43.4 | Very low | 11 Ų | 11 | 113.1 Ų | 113.1 | 11% | 0.113 | 56% | 0.558 | C | S | . | * | H | α-helix | trans | -66.5 | -55.7 | -168.9 | 0 | 0 | 0 | 0 | 0 | 112 | A497 R498 E499 | G495-A497 VanDerWaalsContact C-N 3.29Å; G495-A497 PolarHBondContact O-N 2.94Å; G495-A497 VanDerWaalsContact O-N 3.16Å; G495-R498 CarbonylContact O-C 3.55Å; G495-R498 PolarHBondContact O-N 3.4Å; G495-E499 WeakPolarHBondContact O-CB 3.49Å; G495-E499 PolarHBondContact O-N 3.43Å |
| 496 | S | 42 | Very low | 43.9 | Very low | 72 Ų | 72 | 116.2 Ų | 116.2 | 50% | 0.503 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -61.1 | -31.8 | -171.6 | -163.6 | 0 | 0 | 0 | 0 | 114.4 | K500 | S496-K500 WeakPolarHBondContact O-CB 3.31Å; S496-K500 VanDerWaalsContact O-CD 3.24Å; S496-K500 WeakPolarHBondContact O-CD 3.4Å; S496-K500 WeakPolarHBondContact O-CG 3.24Å; S496-K500 PolarHBondContact O-N 3.33Å; S496-K500 PolarHBondContact OG-NZ 2.87Å; S496-K500 VanDerWaalsContact OG-NZ 3.08Å |
| 497 | A | 42.3 | Very low | 44.4 | Very low | 51 Ų | 51 | 117.2 Ų | 117.2 | 42% | 0.421 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -74 | -45 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | G495 K500 I501 | G495-A497 VanDerWaalsContact C-N 3.29Å; G495-A497 PolarHBondContact O-N 2.94Å; G495-A497 VanDerWaalsContact O-N 3.16Å; A497-K500 PolarHBondContact O-N 3.43Å; A497-I501 VanDerWaalsContact O-CG1 3.28Å; A497-I501 WeakPolarHBondContact O-CG1 3.42Å; A497-I501 PolarHBondContact O-N 2.92Å |
| 498 | R | 44.9 | Very low | 45.2 | Very low | 129 Ų | 129 | 113.9 Ų | 113.9 | 49% | 0.487 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -82.4 | -22.4 | -172.9 | -154.8 | 173.1 | -169.3 | 162.7 | 5.3 | 114.3 | D494 G495 K502 | D494-R498 WeakPolarHBondContact O-CB 3.46Å; D494-R498 PolarHBondContact O-N 3.48Å; G495-R498 CarbonylContact O-C 3.55Å; G495-R498 PolarHBondContact O-N 3.4Å; R498-K502 WeakPolarHBondContact O-CB 3.44Å; R498-K502 WeakPolarHBondContact O-CD 3.44Å; R498-K502 WeakPolarHBondContact O-CG 3.36Å; R498-K502 PolarHBondContact O-N 2.9Å; R498-K502 VanDerWaalsContact O-N 3.16Å |
| 499 | E | 45.9 | Very low | 45.7 | Very low | 122 Ų | 122 | 108.3 Ų | 108.3 | 57% | 0.57 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -76 | -41.4 | 166.9 | -70.4 | -168.4 | 127.3 | 0 | 0 | 110.8 | G495 I501 K502 E503 | G495-E499 WeakPolarHBondContact O-CB 3.49Å; G495-E499 PolarHBondContact O-N 3.43Å; E499-I501 PolarHBondContact O-N 3.23Å; E499-K502 CarbonylContact O-C 3.57Å; E499-K502 PolarHBondContact O-N 3.15Å; E499-K502 VanDerWaalsContact O-N 3.11Å; E499-E503 PolarHBondContact O-N 3.23Å |
| 500 | K | 42.9 | Very low | 46.6 | Very low | 116 Ų | 116 | 104.4 Ų | 104.4 | 50% | 0.504 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.3 | -45.1 | 171.7 | -75.4 | 171.4 | -170.8 | 154.6 | 0 | 112.1 | S496 A497 K502 E503 E504 | S496-K500 WeakPolarHBondContact O-CB 3.31Å; S496-K500 VanDerWaalsContact O-CD 3.24Å; S496-K500 WeakPolarHBondContact O-CD 3.4Å; S496-K500 WeakPolarHBondContact O-CG 3.24Å; S496-K500 PolarHBondContact O-N 3.33Å; S496-K500 PolarHBondContact OG-NZ 2.87Å; S496-K500 VanDerWaalsContact OG-NZ 3.08Å; A497-K500 PolarHBondContact O-N 3.43Å; K500-K502 VanDerWaalsContact C-N 3.29Å; K500-K502 PolarHBondContact O-N 3.19Å; K500-E503 CarbonylContact O-C 3.6Å; K500-E503 PolarHBondContact O-N 3.46Å; K500-E504 WeakPolarHBondContact O-CB 3.35Å; K500-E504 WeakPolarHBondContact O-CG 3.27Å; K500-E504 PolarHBondContact O-N 3.41Å |
| 501 | I | 50.1 | Low | 47.5 | Very low | 88 Ų | 88 | 101.8 Ų | 101.8 | 45% | 0.451 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.6 | -38.5 | 174 | -69.1 | 163.7 | 0 | 0 | 0 | 111.2 | A497 E499 E505 | A497-I501 VanDerWaalsContact O-CG1 3.28Å; A497-I501 WeakPolarHBondContact O-CG1 3.42Å; A497-I501 PolarHBondContact O-N 2.92Å; E499-I501 PolarHBondContact O-N 3.23Å; I501-E505 HydrophobicContact CG2-CG 4.48Å; I501-E505 WeakPolarHBondContact O-CB 3.43Å; I501-E505 VanDerWaalsContact O-CG 3.28Å; I501-E505 WeakPolarHBondContact O-CG 3.25Å; I501-E505 PolarHBondContact O-N 3.25Å |
| 502 | K | 49.1 | Very low | 48.8 | Very low | 92 Ų | 92 | 103.8 Ų | 103.8 | 40% | 0.4 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -71.2 | -34.6 | 175.3 | -74.6 | 167.2 | -169.1 | 166.8 | 0 | 113 | R498 E499 K500 L506 | R498-K502 WeakPolarHBondContact O-CB 3.44Å; R498-K502 WeakPolarHBondContact O-CD 3.44Å; R498-K502 WeakPolarHBondContact O-CG 3.36Å; R498-K502 PolarHBondContact O-N 2.9Å; R498-K502 VanDerWaalsContact O-N 3.16Å; E499-K502 CarbonylContact O-C 3.57Å; E499-K502 PolarHBondContact O-N 3.15Å; E499-K502 VanDerWaalsContact O-N 3.11Å; K500-K502 VanDerWaalsContact C-N 3.29Å; K500-K502 PolarHBondContact O-N 3.19Å; K502-L506 WeakPolarHBondContact O-CB 3.41Å; K502-L506 PolarHBondContact O-N 2.6Å |
| 503 | E | 48.8 | Very low | 49.7 | Very low | 131 Ų | 131 | 102.3 Ų | 102.3 | 61% | 0.612 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -73 | -34.4 | 174.1 | -75.6 | -166.6 | 124.5 | 0 | 0 | 111.5 | E499 K500 L506 M507 | E499-E503 PolarHBondContact O-N 3.23Å; K500-E503 CarbonylContact O-C 3.6Å; K500-E503 PolarHBondContact O-N 3.46Å; E503-L506 PolarHBondContact O-N 3Å; E503-M507 VanDerWaalsContact O-CB 3.27Å; E503-M507 WeakPolarHBondContact O-CB 3.47Å; E503-M507 VanDerWaalsContact O-CG 3.31Å; E503-M507 WeakPolarHBondContact O-CG 3.17Å; E503-M507 PolarHBondContact O-N 3.3Å |
| 504 | E | 49.9 | Very low | 50.3 | Low | 124 Ų | 124 | 99.1 Ų | 99.1 | 58% | 0.579 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -68.5 | -44.9 | 170.9 | -73.4 | 177.1 | 142.7 | 0 | 0 | 110.6 | K500 L506 M507 E508 | K500-E504 WeakPolarHBondContact O-CB 3.35Å; K500-E504 WeakPolarHBondContact O-CG 3.27Å; K500-E504 PolarHBondContact O-N 3.41Å; E504-L506 VanDerWaalsContact C-N 3.31Å; E504-L506 PolarHBondContact O-N 2.96Å; E504-M507 PolarHBondContact O-N 3.31Å; E504-E508 WeakPolarHBondContact O-CB 3.44Å; E504-E508 PolarHBondContact O-N 3.3Å |
| 505 | E | 51.6 | Low | 51.4 | Low | 120 Ų | 120 | 96.4 Ų | 96.4 | 56% | 0.561 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.3 | -36.4 | 170.1 | -76.7 | 177.3 | 167.5 | 0 | 0 | 111.9 | I501 S509 | I501-E505 HydrophobicContact CG2-CG 4.48Å; I501-E505 WeakPolarHBondContact O-CB 3.43Å; I501-E505 VanDerWaalsContact O-CG 3.28Å; I501-E505 WeakPolarHBondContact O-CG 3.25Å; I501-E505 PolarHBondContact O-N 3.25Å; E505-S509 VanDerWaalsContact O-CB 3.24Å; E505-S509 WeakPolarHBondContact O-CB 3.44Å; E505-S509 PolarHBondContact O-N 2.88Å; E505-S509 PolarHBondContact O-OG 2.76Å |
| 506 | L | 52.8 | Low | 52.1 | Low | 109 Ų | 109 | 100.4 Ų | 100.4 | 57% | 0.571 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -73.6 | -36.4 | 176.4 | -154.3 | 84.3 | 0 | 0 | 0 | 111.9 | K502 E503 E504 S509 L510 | K502-L506 WeakPolarHBondContact O-CB 3.41Å; K502-L506 PolarHBondContact O-N 2.6Å; E503-L506 PolarHBondContact O-N 3Å; E504-L506 VanDerWaalsContact C-N 3.31Å; E504-L506 PolarHBondContact O-N 2.96Å; L506-S509 WeakPolarHBondContact CA-OG 3.36Å; L506-S509 PolarHBondContact O-OG 3.39Å; L506-L510 HydrophobicContact CG-CD1 4.5Å; L506-L510 WeakPolarHBondContact O-CB 3.49Å; L506-L510 WeakPolarHBondContact O-CD1 3.27Å; L506-L510 VanDerWaalsContact O-CG 3.23Å; L506-L510 WeakPolarHBondContact O-CG 3.3Å; L506-L510 PolarHBondContact O-N 2.74Å |
| 507 | M | 50.6 | Low | 53.1 | Low | 130 Ų | 130 | 101.3 Ų | 101.3 | 64% | 0.64 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -74.4 | -35.7 | 174.7 | -78 | -147.8 | -63.2 | 0 | 0 | 112.1 | E503 E504 L510 A511 | E503-M507 VanDerWaalsContact O-CB 3.27Å; E503-M507 WeakPolarHBondContact O-CB 3.47Å; E503-M507 VanDerWaalsContact O-CG 3.31Å; E503-M507 WeakPolarHBondContact O-CG 3.17Å; E503-M507 PolarHBondContact O-N 3.3Å; E504-M507 PolarHBondContact O-N 3.31Å; M507-L510 PolarHBondContact O-N 3.47Å; M507-A511 WeakPolarHBondContact O-CB 3.35Å; M507-A511 PolarHBondContact O-N 2.83Å |
| 508 | E | 55.5 | Low | 54.4 | Low | 143 Ų | 143 | 102.2 Ų | 102.2 | 67% | 0.668 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -71.9 | -38.3 | 175.3 | -170.6 | 169.7 | -128.5 | 0 | 0 | 110.5 | E504 A511 E512 | E504-E508 WeakPolarHBondContact O-CB 3.44Å; E504-E508 PolarHBondContact O-N 3.3Å; E508-A511 PolarHBondContact O-N 2.84Å; E508-E512 WeakPolarHBondContact O-CB 3.38Å; E508-E512 PolarHBondContact O-N 3.32Å |
| 509 | S | 53.8 | Low | 55.3 | Low | 50 Ų | 50 | 98.8 Ų | 98.8 | 35% | 0.35 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -73.6 | -30.3 | 171.1 | 60 | 0 | 0 | 0 | 0 | 113.5 | E505 L506 L513 | E505-S509 VanDerWaalsContact O-CB 3.24Å; E505-S509 WeakPolarHBondContact O-CB 3.44Å; E505-S509 PolarHBondContact O-N 2.88Å; E505-S509 PolarHBondContact O-OG 2.76Å; L506-S509 WeakPolarHBondContact CA-OG 3.36Å; L506-S509 PolarHBondContact O-OG 3.39Å; S509-L513 VanDerWaalsContact O-CB 3.3Å; S509-L513 WeakPolarHBondContact O-CB 3.47Å; S509-L513 VanDerWaalsContact O-CG 3.23Å; S509-L513 WeakPolarHBondContact O-CG 3.18Å; S509-L513 PolarHBondContact O-N 2.94Å |
| 510 | L | 57.9 | Low | 55.9 | Low | 90 Ų | 90 | 96.6 Ų | 96.6 | 47% | 0.471 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.9 | -38.1 | 167.3 | -84.2 | 166.5 | 0 | 0 | 0 | 112 | L506 M507 L513 Q514 | L506-L510 HydrophobicContact CG-CD1 4.5Å; L506-L510 WeakPolarHBondContact O-CB 3.49Å; L506-L510 WeakPolarHBondContact O-CD1 3.27Å; L506-L510 VanDerWaalsContact O-CG 3.23Å; L506-L510 WeakPolarHBondContact O-CG 3.3Å; L506-L510 PolarHBondContact O-N 2.74Å; M507-L510 PolarHBondContact O-N 3.47Å; L510-L513 PolarHBondContact O-N 2.94Å; L510-Q514 WeakPolarHBondContact O-CB 3.34Å; L510-Q514 WeakPolarHBondContact O-CG 3.31Å; L510-Q514 PolarHBondContact O-N 2.89Å |
| 511 | A | 59.6 | Low | 56.5 | Low | 52 Ų | 52 | 95.8 Ų | 95.8 | 43% | 0.43 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.1 | -39.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | M507 E508 Q514 A515 | M507-A511 WeakPolarHBondContact O-CB 3.35Å; M507-A511 PolarHBondContact O-N 2.83Å; E508-A511 PolarHBondContact O-N 2.84Å; A511-Q514 PolarHBondContact O-N 3.13Å; A511-A515 WeakPolarHBondContact O-CB 3.37Å; A511-A515 PolarHBondContact O-N 2.93Å |
| 512 | E | 60.8 | Low | 57.1 | Low | 102 Ų | 102 | 97 Ų | 97 | 48% | 0.477 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.6 | -42.7 | 168.2 | -86.3 | -146 | 118.9 | 0 | 0 | 111.6 | E508 A515 K516 | E508-E512 WeakPolarHBondContact O-CB 3.38Å; E508-E512 PolarHBondContact O-N 3.32Å; E512-A515 PolarHBondContact O-N 3.21Å; E512-K516 HydrophobicContact CB-CD 4.47Å; E512-K516 WeakPolarHBondContact O-CB 3Å; E512-K516 VanDerWaalsContact O-CD 3.28Å; E512-K516 WeakPolarHBondContact O-CD 3.11Å; E512-K516 WeakPolarHBondContact O-CG 3.28Å; E512-K516 PolarHBondContact O-N 3.41Å; E512-K516 WeakPolarHBondContact OE1-CE 3.2Å; E512-K516 IonicContact OE1-NZ 2.77Å; E512-K516 PolarHBondContact OE1-NZ 3.28Å; E512-K516 IonicContact OE2-NZ 2.8Å; E512-K516 PolarHBondContact OE2-NZ 2.73Å |
| 513 | L | 55.7 | Low | 57.5 | Low | 111 Ų | 111 | 99 Ų | 99 | 58% | 0.581 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -70.4 | -35.1 | 179.1 | -78.6 | 167.8 | 0 | 0 | 0 | 112 | S509 L510 L517 | S509-L513 VanDerWaalsContact O-CB 3.3Å; S509-L513 WeakPolarHBondContact O-CB 3.47Å; S509-L513 VanDerWaalsContact O-CG 3.23Å; S509-L513 WeakPolarHBondContact O-CG 3.18Å; S509-L513 PolarHBondContact O-N 2.94Å; L510-L513 PolarHBondContact O-N 2.94Å; L513-L517 WeakPolarHBondContact O-CB 3.3Å; L513-L517 PolarHBondContact O-N 2.74Å |
| 514 | Q | 54.6 | Low | 57.9 | Low | 130 Ų | 130 | 99.9 Ų | 99.9 | 61% | 0.607 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -68 | -43.5 | 170.2 | -77.6 | -176.6 | -18 | 0 | 0 | 111.1 | L510 A511 K516 L517 T518 | L510-Q514 WeakPolarHBondContact O-CB 3.34Å; L510-Q514 WeakPolarHBondContact O-CG 3.31Å; L510-Q514 PolarHBondContact O-N 2.89Å; A511-Q514 PolarHBondContact O-N 3.13Å; Q514-K516 PolarHBondContact O-N 3.39Å; Q514-L517 CarbonylContact O-C 3.56Å; Q514-L517 WeakPolarHBondContact O-CA 3.23Å; Q514-L517 WeakPolarHBondContact O-CB 3.48Å; Q514-L517 PolarHBondContact O-N 3.3Å; Q514-L517 VanDerWaalsContact O-N 3.14Å; Q514-T518 PolarHBondContact O-N 3.39Å; Q514-T518 PolarHBondContact O-OG1 3.1Å |
| 515 | A | 65.4 | Low | 58.7 | Low | 52 Ų | 52 | 100 Ų | 100 | 43% | 0.43 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.9 | -39.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A511 E512 L517 T518 D519 | A511-A515 WeakPolarHBondContact O-CB 3.37Å; A511-A515 PolarHBondContact O-N 2.93Å; E512-A515 PolarHBondContact O-N 3.21Å; A515-L517 VanDerWaalsContact C-N 3.33Å; A515-T518 WeakPolarHBondContact CA-OG1 3.44Å; A515-T518 PolarHBondContact O-N 2.73Å; A515-T518 PolarHBondContact O-OG1 2.66Å; A515-D519 WeakPolarHBondContact O-CB 3.22Å; A515-D519 PolarHBondContact O-N 2.91Å |
| 516 | K | 60.8 | Low | 59.2 | Low | 94 Ų | 94 | 99.3 Ų | 99.3 | 41% | 0.409 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.8 | -28.7 | 173.6 | -70.8 | 160.4 | -167.4 | 174.8 | 0 | 111.5 | E512 Q514 T520 | E512-K516 HydrophobicContact CB-CD 4.47Å; E512-K516 WeakPolarHBondContact O-CB 3Å; E512-K516 VanDerWaalsContact O-CD 3.28Å; E512-K516 WeakPolarHBondContact O-CD 3.11Å; E512-K516 WeakPolarHBondContact O-CG 3.28Å; E512-K516 PolarHBondContact O-N 3.41Å; E512-K516 WeakPolarHBondContact OE1-CE 3.2Å; E512-K516 IonicContact OE1-NZ 2.77Å; E512-K516 PolarHBondContact OE1-NZ 3.28Å; E512-K516 IonicContact OE2-NZ 2.8Å; E512-K516 PolarHBondContact OE2-NZ 2.73Å; Q514-K516 PolarHBondContact O-N 3.39Å; K516-T520 WeakPolarHBondContact O-CB 3.38Å; K516-T520 VanDerWaalsContact O-CG2 3.27Å; K516-T520 WeakPolarHBondContact O-CG2 3.21Å; K516-T520 PolarHBondContact O-N 3.47Å; K516-T520 PolarHBondContact O-OG1 3.22Å |
| 517 | L | 61.4 | Low | 59.4 | Low | 92 Ų | 92 | 96.3 Ų | 96.3 | 48% | 0.482 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -73.1 | -42.7 | 171.5 | -177 | 62.7 | 0 | 0 | 0 | 111.8 | L513 Q514 A515 T520 Q521 | L513-L517 WeakPolarHBondContact O-CB 3.3Å; L513-L517 PolarHBondContact O-N 2.74Å; Q514-L517 CarbonylContact O-C 3.56Å; Q514-L517 WeakPolarHBondContact O-CA 3.23Å; Q514-L517 WeakPolarHBondContact O-CB 3.48Å; Q514-L517 PolarHBondContact O-N 3.3Å; Q514-L517 VanDerWaalsContact O-N 3.14Å; A515-L517 VanDerWaalsContact C-N 3.33Å; L517-T520 WeakPolarHBondContact CA-OG1 3.48Å; L517-T520 PolarHBondContact O-N 3.46Å; L517-T520 PolarHBondContact O-OG1 3.47Å; L517-T520 VanDerWaalsContact O-OG1 3.12Å; L517-Q521 HydrophobicContact CD1-CG 4.49Å; L517-Q521 WeakPolarHBondContact O-CB 3.43Å; L517-Q521 WeakPolarHBondContact O-CG 3.43Å; L517-Q521 PolarHBondContact O-N 3.01Å |
| 518 | T | 69.5 | Low | 59.8 | Low | 69 Ų | 69 | 93.9 Ų | 93.9 | 42% | 0.423 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.7 | -42.9 | 174.2 | 53.9 | 0 | 0 | 0 | 0 | 110.9 | Q514 A515 T520 Q521 E522 | Q514-T518 PolarHBondContact O-N 3.39Å; Q514-T518 PolarHBondContact O-OG1 3.1Å; A515-T518 WeakPolarHBondContact CA-OG1 3.44Å; A515-T518 PolarHBondContact O-N 2.73Å; A515-T518 PolarHBondContact O-OG1 2.66Å; T518-T520 VanDerWaalsContact C-N 3.31Å; T518-T520 PolarHBondContact O-N 2.92Å; T518-Q521 CarbonylContact O-C 3.54Å; T518-Q521 PolarHBondContact O-N 2.94Å; T518-Q521 VanDerWaalsContact O-N 3.1Å; T518-E522 WeakPolarHBondContact O-CB 3.42Å; T518-E522 WeakPolarHBondContact O-CG 3.11Å; T518-E522 PolarHBondContact O-N 2.87Å |
| 519 | D | 64.8 | Low | 60.4 | Low | 57 Ų | 57 | 93.6 Ų | 93.6 | 31% | 0.305 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.5 | -33.4 | 175 | 177.3 | 45.2 | 0 | 0 | 0 | 112.4 | A515 R523 | A515-D519 WeakPolarHBondContact O-CB 3.22Å; A515-D519 PolarHBondContact O-N 2.91Å; D519-R523 WeakPolarHBondContact O-CB 3.01Å; D519-R523 VanDerWaalsContact O-CG 3.3Å; D519-R523 WeakPolarHBondContact O-CG 3.14Å; D519-R523 PolarHBondContact O-N 2.9Å; D519-R523 IonicContact OD1-CZ 3.72Å; D519-R523 IonicContact OD1-NE 3.18Å; D519-R523 IonicContact OD1-NH1 3.17Å; D519-R523 PolarHBondContact OD1-NH1 3.31Å; D519-R523 IonicContact OD1-NH2 3.35Å; D519-R523 PolarHBondContact OD1-NH2 3.41Å; D519-R523 IonicContact OD2-CZ 2.75Å; D519-R523 IonicContact OD2-NH1 3.72Å; D519-R523 PolarHBondContact OD2-NH1 3.35Å; D519-R523 IonicContact OD2-NH2 2.68Å; D519-R523 PolarHBondContact OD2-NH2 2.98Å |
| 520 | T | 58.9 | Low | 60.7 | Low | 76 Ų | 76 | 97.4 Ų | 97.4 | 47% | 0.466 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -79.6 | -29.2 | 170.7 | 51.2 | 0 | 0 | 0 | 0 | 113.4 | K516 L517 T518 Y524 | K516-T520 WeakPolarHBondContact O-CB 3.38Å; K516-T520 VanDerWaalsContact O-CG2 3.27Å; K516-T520 WeakPolarHBondContact O-CG2 3.21Å; K516-T520 PolarHBondContact O-N 3.47Å; K516-T520 PolarHBondContact O-OG1 3.22Å; L517-T520 WeakPolarHBondContact CA-OG1 3.48Å; L517-T520 PolarHBondContact O-N 3.46Å; L517-T520 PolarHBondContact O-OG1 3.47Å; L517-T520 VanDerWaalsContact O-OG1 3.12Å; T518-T520 VanDerWaalsContact C-N 3.31Å; T518-T520 PolarHBondContact O-N 2.92Å; T520-Y524 WeakPolarHBondContact O-CB 3.17Å; T520-Y524 PolarHBondContact O-N 3.33Å |
| 521 | Q | 54.6 | Low | 60.7 | Low | 100 Ų | 100 | 96.3 Ų | 96.3 | 47% | 0.467 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -72.5 | -35 | 171.2 | -75.4 | 171.2 | 2.8 | 0 | 0 | 112.4 | L517 T518 Y524 H525 | L517-Q521 HydrophobicContact CD1-CG 4.49Å; L517-Q521 WeakPolarHBondContact O-CB 3.43Å; L517-Q521 WeakPolarHBondContact O-CG 3.43Å; L517-Q521 PolarHBondContact O-N 3.01Å; T518-Q521 CarbonylContact O-C 3.54Å; T518-Q521 PolarHBondContact O-N 2.94Å; T518-Q521 VanDerWaalsContact O-N 3.1Å; Q521-Y524 PolarHBondContact O-N 3.39Å; Q521-H525 PolarHBondContact O-N 3.07Å; Q521-H525 PolarHBondContact O-ND1 3.44Å |
| 522 | E | 64.1 | Low | 60.7 | Low | 114 Ų | 114 | 99.1 Ų | 99.1 | 53% | 0.533 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -72 | -46.6 | 173.8 | -76.9 | -179.5 | -175.2 | 0 | 0 | 110.4 | T518 Y524 H525 Q526 | T518-E522 WeakPolarHBondContact O-CB 3.42Å; T518-E522 WeakPolarHBondContact O-CG 3.11Å; T518-E522 PolarHBondContact O-N 2.87Å; E522-Y524 PolarHBondContact O-N 3.5Å; E522-H525 CarbonylContact O-C 3.59Å; E522-H525 PolarHBondContact O-N 3.38Å; E522-H525 VanDerWaalsContact O-N 3.11Å; E522-Q526 WeakPolarHBondContact O-CB 3.3Å; E522-Q526 VanDerWaalsContact O-CG 3.31Å; E522-Q526 WeakPolarHBondContact O-CG 3.35Å; E522-Q526 PolarHBondContact O-N 3.13Å |
| 523 | R | 56.4 | Low | 60.5 | Low | 134 Ų | 134 | 99.2 Ų | 99.2 | 51% | 0.506 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.2 | -31.4 | 169.7 | -74.6 | -168.4 | -159.6 | 97.4 | 11.3 | 112.7 | D519 A527 | D519-R523 WeakPolarHBondContact O-CB 3.01Å; D519-R523 VanDerWaalsContact O-CG 3.3Å; D519-R523 WeakPolarHBondContact O-CG 3.14Å; D519-R523 PolarHBondContact O-N 2.9Å; D519-R523 IonicContact OD1-CZ 3.72Å; D519-R523 IonicContact OD1-NE 3.18Å; D519-R523 IonicContact OD1-NH1 3.17Å; D519-R523 PolarHBondContact OD1-NH1 3.31Å; D519-R523 IonicContact OD1-NH2 3.35Å; D519-R523 PolarHBondContact OD1-NH2 3.41Å; D519-R523 IonicContact OD2-CZ 2.75Å; D519-R523 IonicContact OD2-NH1 3.72Å; D519-R523 PolarHBondContact OD2-NH1 3.35Å; D519-R523 IonicContact OD2-NH2 2.68Å; D519-R523 PolarHBondContact OD2-NH2 2.98Å; R523-A527 WeakPolarHBondContact O-CB 3.49Å; R523-A527 PolarHBondContact O-N 3.47Å |
| 524 | Y | 58.3 | Low | 60.5 | Low | 149 Ų | 149 | 98.1 Ų | 98.1 | 58% | 0.584 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -69.8 | -39.7 | 172.6 | -177 | -98.3 | 0 | 0 | 0 | 111.9 | T520 Q521 E522 M528 | T520-Y524 WeakPolarHBondContact O-CB 3.17Å; T520-Y524 PolarHBondContact O-N 3.33Å; Q521-Y524 PolarHBondContact O-N 3.39Å; E522-Y524 PolarHBondContact O-N 3.5Å; Y524-M528 HydrophobicContact CD1-CG 4.22Å; Y524-M528 HydrophobicContact CE1-CG 3.88Å; Y524-M528 HydrophobicContact CE2-CG 4.46Å; Y524-M528 VanDerWaalsContact O-CB 3.3Å; Y524-M528 WeakPolarHBondContact O-CB 3.26Å; Y524-M528 WeakPolarHBondContact O-CG 3.14Å; Y524-M528 PolarHBondContact O-N 3.49Å |
| 525 | H | 64.8 | Low | 60.2 | Low | 125 Ų | 125 | 97.2 Ų | 97.2 | 58% | 0.579 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -67.9 | -42.8 | 173.5 | -81.2 | 77.3 | 0 | 0 | 0 | 112.2 | Q521 E522 M528 E529 | Q521-H525 PolarHBondContact O-N 3.07Å; Q521-H525 PolarHBondContact O-ND1 3.44Å; E522-H525 CarbonylContact O-C 3.59Å; E522-H525 PolarHBondContact O-N 3.38Å; E522-H525 VanDerWaalsContact O-N 3.11Å; H525-M528 CarbonylContact O-C 3.58Å; H525-M528 WeakPolarHBondContact O-CA 3.49Å; H525-M528 WeakPolarHBondContact O-CB 3.37Å; H525-M528 PolarHBondContact O-N 3.23Å; H525-M528 VanDerWaalsContact O-N 3.11Å; H525-E529 PolarHBondContact O-N 3.47Å |
| 526 | Q | 62.8 | Low | 59.7 | Low | 107 Ų | 107 | 98.3 Ų | 98.3 | 50% | 0.5 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.3 | -44.1 | 174.2 | -70.9 | 166.3 | 4.9 | 0 | 0 | 111.1 | E522 M528 E529 E530 | E522-Q526 WeakPolarHBondContact O-CB 3.3Å; E522-Q526 VanDerWaalsContact O-CG 3.31Å; E522-Q526 WeakPolarHBondContact O-CG 3.35Å; E522-Q526 PolarHBondContact O-N 3.13Å; Q526-M528 VanDerWaalsContact C-N 3.27Å; Q526-M528 PolarHBondContact O-N 3.22Å; Q526-E529 PolarHBondContact O-N 2.72Å; Q526-E530 WeakPolarHBondContact O-CB 3.31Å; Q526-E530 WeakPolarHBondContact O-CG 3.27Å; Q526-E530 PolarHBondContact O-N 3.34Å |
| 527 | A | 57.7 | Low | 59.2 | Low | 45 Ų | 45 | 100.4 Ų | 100.4 | 37% | 0.372 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66 | -28.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R523 V531 | R523-A527 WeakPolarHBondContact O-CB 3.49Å; R523-A527 PolarHBondContact O-N 3.47Å; A527-V531 VanDerWaalsContact O-CB 3.23Å; A527-V531 WeakPolarHBondContact O-CB 3.22Å; A527-V531 WeakPolarHBondContact O-CG2 3.21Å; A527-V531 PolarHBondContact O-N 2.81Å |
| 528 | M | 57.8 | Low | 58.4 | Low | 79 Ų | 79 | 102.6 Ų | 102.6 | 39% | 0.389 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -74.6 | -40.9 | 172.9 | -78 | -71.5 | -65.1 | 0 | 0 | 112 | Y524 H525 Q526 V531 E532 | Y524-M528 HydrophobicContact CD1-CG 4.22Å; Y524-M528 HydrophobicContact CE1-CG 3.88Å; Y524-M528 HydrophobicContact CE2-CG 4.46Å; Y524-M528 VanDerWaalsContact O-CB 3.3Å; Y524-M528 WeakPolarHBondContact O-CB 3.26Å; Y524-M528 WeakPolarHBondContact O-CG 3.14Å; Y524-M528 PolarHBondContact O-N 3.49Å; H525-M528 CarbonylContact O-C 3.58Å; H525-M528 WeakPolarHBondContact O-CA 3.49Å; H525-M528 WeakPolarHBondContact O-CB 3.37Å; H525-M528 PolarHBondContact O-N 3.23Å; H525-M528 VanDerWaalsContact O-N 3.11Å; Q526-M528 VanDerWaalsContact C-N 3.27Å; Q526-M528 PolarHBondContact O-N 3.22Å; M528-V531 CarbonylContact O-C 3.53Å; M528-V531 PolarHBondContact O-N 3.48Å; M528-E532 WeakPolarHBondContact O-CG 3.36Å; M528-E532 PolarHBondContact O-N 2.82Å |
| 529 | E | 68 | Low | 57.1 | Low | 138 Ų | 138 | 102.3 Ų | 102.3 | 65% | 0.645 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.4 | -46.8 | 171.2 | -75.4 | -172.1 | 131.4 | 0 | 0 | 110.8 | H525 Q526 V531 E532 D533 | H525-E529 PolarHBondContact O-N 3.47Å; Q526-E529 PolarHBondContact O-N 2.72Å; E529-V531 VanDerWaalsContact C-N 3.26Å; E529-V531 PolarHBondContact O-N 3.32Å; E529-E532 CarbonylContact O-C 3.52Å; E529-E532 PolarHBondContact O-N 3.07Å; E529-D533 WeakPolarHBondContact O-CB 3.37Å; E529-D533 PolarHBondContact O-N 2.91Å |
| 530 | E | 61.6 | Low | 56.4 | Low | 129 Ų | 129 | 110.8 Ų | 110.8 | 60% | 0.603 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -58.3 | -36.8 | 172.1 | -76.2 | -177.1 | 177 | 0 | 0 | 111.6 | Q526 L534 | Q526-E530 WeakPolarHBondContact O-CB 3.31Å; Q526-E530 WeakPolarHBondContact O-CG 3.27Å; Q526-E530 PolarHBondContact O-N 3.34Å; E530-L534 WeakPolarHBondContact O-CB 3.45Å; E530-L534 WeakPolarHBondContact O-CD1 3.34Å; E530-L534 WeakPolarHBondContact O-CG 3.47Å; E530-L534 PolarHBondContact O-N 3.35Å |
| 531 | V | 56.8 | Low | 55.4 | Low | 67 Ų | 67 | 110.4 Ų | 110.4 | 41% | 0.406 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -74.2 | -28.2 | 174.5 | 162.8 | 0 | 0 | 0 | 0 | 112.7 | A527 M528 E529 K535 | A527-V531 VanDerWaalsContact O-CB 3.23Å; A527-V531 WeakPolarHBondContact O-CB 3.22Å; A527-V531 WeakPolarHBondContact O-CG2 3.21Å; A527-V531 PolarHBondContact O-N 2.81Å; M528-V531 CarbonylContact O-C 3.53Å; M528-V531 PolarHBondContact O-N 3.48Å; E529-V531 VanDerWaalsContact C-N 3.26Å; E529-V531 PolarHBondContact O-N 3.32Å; V531-K535 WeakPolarHBondContact O-CB 3.46Å; V531-K535 WeakPolarHBondContact O-CD 3.37Å; V531-K535 WeakPolarHBondContact O-CG 3.47Å; V531-K535 PolarHBondContact O-N 2.83Å |
| 532 | E | 59.8 | Low | 54.9 | Low | 112 Ų | 112 | 110.4 Ų | 110.4 | 52% | 0.523 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -74.3 | -42.7 | 171.8 | -64 | -99.5 | 108.4 | 0 | 0 | 111 | M528 E529 K535 A536 | M528-E532 WeakPolarHBondContact O-CG 3.36Å; M528-E532 PolarHBondContact O-N 2.82Å; E529-E532 CarbonylContact O-C 3.52Å; E529-E532 PolarHBondContact O-N 3.07Å; E532-K535 WeakPolarHBondContact O-CB 3.38Å; E532-K535 PolarHBondContact O-N 3.14Å; E532-K535 IonicContact OE1-NZ 2.73Å; E532-K535 PolarHBondContact OE1-NZ 3.37Å; E532-A536 WeakPolarHBondContact O-CB 3.28Å; E532-A536 PolarHBondContact O-N 3.27Å |
| 533 | D | 57.2 | Low | 53.7 | Low | 103 Ų | 103 | 114.4 Ų | 114.4 | 55% | 0.551 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -66.1 | -40 | 173.2 | -97.6 | -10.3 | 0 | 0 | 0 | 111.8 | E529 A536 Q537 | E529-D533 WeakPolarHBondContact O-CB 3.37Å; E529-D533 PolarHBondContact O-N 2.91Å; D533-A536 PolarHBondContact O-N 3.08Å; D533-Q537 WeakPolarHBondContact O-CB 3.45Å; D533-Q537 VanDerWaalsContact O-CG 3.22Å; D533-Q537 WeakPolarHBondContact O-CG 3.5Å; D533-Q537 PolarHBondContact O-N 3.11Å; D533-Q537 PolarHBondContact O-NE2 3.01Å |
| 534 | L | 55.2 | Low | 53.6 | Low | 88 Ų | 88 | 114.5 Ų | 114.5 | 46% | 0.461 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -68 | -32.7 | 172.4 | -74.7 | 168.7 | 0 | 0 | 0 | 111.7 | E530 M538 | E530-L534 WeakPolarHBondContact O-CB 3.45Å; E530-L534 WeakPolarHBondContact O-CD1 3.34Å; E530-L534 WeakPolarHBondContact O-CG 3.47Å; E530-L534 PolarHBondContact O-N 3.35Å; L534-M538 WeakPolarHBondContact O-CA 3.44Å; L534-M538 WeakPolarHBondContact O-CB 3.41Å; L534-M538 VanDerWaalsContact O-CG 3.26Å; L534-M538 WeakPolarHBondContact O-CG 3.23Å; L534-M538 PolarHBondContact O-N 3.43Å |
| 535 | K | 49 | Very low | 52.9 | Low | 112 Ų | 112 | 115.9 Ų | 115.9 | 49% | 0.487 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -66.2 | -40.5 | 168.2 | -75.3 | 163.9 | -163.8 | 154.5 | 0 | 111.6 | V531 E532 M538 G539 | V531-K535 WeakPolarHBondContact O-CB 3.46Å; V531-K535 WeakPolarHBondContact O-CD 3.37Å; V531-K535 WeakPolarHBondContact O-CG 3.47Å; V531-K535 PolarHBondContact O-N 2.83Å; E532-K535 WeakPolarHBondContact O-CB 3.38Å; E532-K535 PolarHBondContact O-N 3.14Å; E532-K535 IonicContact OE1-NZ 2.73Å; E532-K535 PolarHBondContact OE1-NZ 3.37Å; K535-M538 CarbonylContact O-C 3.59Å; K535-M538 PolarHBondContact O-N 2.97Å; K535-G539 PolarHBondContact O-N 2.86Å; K535-G539 VanDerWaalsContact O-N 3.08Å |
| 536 | A | 55.1 | Low | 52 | Low | 75 Ų | 75 | 113.6 Ų | 113.6 | 62% | 0.62 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -64.8 | -40.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | E532 D533 G539 | E532-A536 WeakPolarHBondContact O-CB 3.28Å; E532-A536 PolarHBondContact O-N 3.27Å; D533-A536 PolarHBondContact O-N 3.08Å; A536-G539 PolarHBondContact O-N 3.4Å |
| 537 | Q | 49.4 | Very low | 51.3 | Low | 137 Ų | 137 | 110.8 Ų | 110.8 | 64% | 0.64 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -71.8 | -41.7 | 175.3 | -69.2 | 171.9 | 57.5 | 0 | 0 | 112.2 | D533 G539 | D533-Q537 WeakPolarHBondContact O-CB 3.45Å; D533-Q537 VanDerWaalsContact O-CG 3.22Å; D533-Q537 WeakPolarHBondContact O-CG 3.5Å; D533-Q537 PolarHBondContact O-N 3.11Å; D533-Q537 PolarHBondContact O-NE2 3.01Å; Q537-G539 PolarHBondContact O-N 3.25Å |
| 538 | M | 44.3 | Very low | 50.9 | Low | 138 Ų | 138 | 115 Ų | 115 | 68% | 0.68 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | 17.9 | 174.4 | -62 | -148.2 | -58.2 | 0 | 0 | 114 | L534 K535 R540 | L534-M538 WeakPolarHBondContact O-CA 3.44Å; L534-M538 WeakPolarHBondContact O-CB 3.41Å; L534-M538 VanDerWaalsContact O-CG 3.26Å; L534-M538 WeakPolarHBondContact O-CG 3.23Å; L534-M538 PolarHBondContact O-N 3.43Å; K535-M538 CarbonylContact O-C 3.59Å; K535-M538 PolarHBondContact O-N 2.97Å; M538-R540 PolarHBondContact O-N 2.92Å |
| 539 | G | 43.2 | Very low | 50.5 | Low | 64 Ų | 64 | 117.6 Ų | 117.6 | 66% | 0.66 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -61.3 | 4.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | K535 A536 Q537 | K535-G539 PolarHBondContact O-N 2.86Å; K535-G539 VanDerWaalsContact O-N 3.08Å; A536-G539 PolarHBondContact O-N 3.4Å; Q537-G539 PolarHBondContact O-N 3.25Å |
| 540 | R | 48.7 | Very low | 49.9 | Very low | 234 Ų | 234 | 117.3 Ų | 117.3 | 88% | 0.883 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -145.2 | 102 | 171.2 | -76.2 | -174 | -76.1 | -99.2 | -1.9 | 111.6 | M538 | M538-R540 PolarHBondContact O-N 2.92Š|
| 541 | G | 38.8 | Very low | 49.5 | Very low | 69 Ų | 69 | 114 Ų | 114 | 71% | 0.711 | 63% | 0.633 | S | S | * | * | trans | 139.2 | 118.5 | 168 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 542 | A | 44.3 | Very low | 49.6 | Very low | 100 Ų | 100 | 117.9 Ų | 117.9 | 83% | 0.826 | 65% | 0.645 | S | S | * | * | trans | -80.3 | 134.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 543 | E | 39.2 | Very low | 49.8 | Very low | 197 Ų | 197 | 118.9 Ų | 118.9 | 92% | 0.921 | 65% | 0.648 | S | S | * | * | trans | -154.5 | 87.3 | 135.6 | -119.8 | 174.6 | -142.8 | 0 | 0 | 110.7 | ||||
| 544 | E | 52.9 | Low | 50.2 | Low | 136 Ų | 136 | 119.4 Ų | 119.4 | 64% | 0.636 | 65% | 0.65 | S | S | * | * | trans | -74.1 | 124.9 | 163.8 | -67.2 | -162.7 | 97.5 | 0 | 0 | 109.3 | K548 | E544-K548 WeakPolarHBondContact OE1-CE 3.5Å; E544-K548 IonicContact OE1-NZ 3.18Å; E544-K548 PolarHBondContact OE1-NZ 3.16Å | ||
| 545 | F | 44.4 | Very low | 50.5 | Low | 179 Ų | 179 | 120 Ų | 120 | 79% | 0.785 | 65% | 0.65 | S | S | * | * | S | Bend | 179.1 | -32.3 | 124.1 | -111.3 | -83 | 0 | 0 | 0 | 112.1 | |||
| 546 | A | 46 | Very low | 51.4 | Low | 77 Ų | 77 | 120.6 Ų | 120.6 | 64% | 0.636 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -63.2 | -60.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | K548 L549 | A546-K548 PolarHBondContact O-N 3.42Å; A546-K548 VanDerWaalsContact O-N 3.08Å; A546-L549 WeakPolarHBondContact O-CB 3.38Å; A546-L549 PolarHBondContact O-N 2.96Å |
| 547 | G | 49 | Very low | 52 | Low | 48 Ų | 48 | 120.9 Ų | 120.9 | 50% | 0.495 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -61.4 | -23.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | L549 E550 A551 | G547-L549 PolarHBondContact O-N 3.39Å; G547-E550 PolarHBondContact O-N 3.23Å; G547-A551 VanDerWaalsContact O-CB 3.27Å; G547-A551 WeakPolarHBondContact O-CB 3.31Å; G547-A551 PolarHBondContact O-N 2.98Å |
| 548 | K | 48.5 | Very low | 52.5 | Low | 132 Ų | 132 | 120.8 Ų | 120.8 | 57% | 0.574 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -68.8 | -20.3 | 173.6 | -82.5 | -177.9 | 179.1 | 174.4 | 0 | 113.4 | E544 A546 K552 | E544-K548 WeakPolarHBondContact OE1-CE 3.5Å; E544-K548 IonicContact OE1-NZ 3.18Å; E544-K548 PolarHBondContact OE1-NZ 3.16Å; A546-K548 PolarHBondContact O-N 3.42Å; A546-K548 VanDerWaalsContact O-N 3.08Å; K548-K552 WeakPolarHBondContact O-CD 3.48Å; K548-K552 WeakPolarHBondContact O-CG 3.47Å |
| 549 | L | 49.5 | Very low | 53.8 | Low | 134 Ų | 134 | 119.6 Ų | 119.6 | 70% | 0.702 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -84.2 | -44.8 | 175 | -167.1 | 67.3 | 0 | 0 | 0 | 110.9 | A546 G547 K552 K553 | A546-L549 WeakPolarHBondContact O-CB 3.38Å; A546-L549 PolarHBondContact O-N 2.96Å; G547-L549 PolarHBondContact O-N 3.39Å; L549-K552 PolarHBondContact O-N 3.15Å; L549-K553 PolarHBondContact O-N 3.15Å; L549-K553 VanDerWaalsContact O-N 3.09Å |
| 550 | E | 54.2 | Low | 55.1 | Low | 132 Ų | 132 | 121 Ų | 121 | 62% | 0.617 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -68.7 | -42.1 | -179.8 | -64 | -175.2 | 135.2 | 0 | 0 | 112.4 | G547 K552 K553 L554 | G547-E550 PolarHBondContact O-N 3.23Å; E550-K552 VanDerWaalsContact C-N 3.31Å; E550-K552 PolarHBondContact O-N 2.9Å; E550-K553 WeakPolarHBondContact O-CA 3.22Å; E550-K553 VanDerWaalsContact O-CB 3.28Å; E550-K553 WeakPolarHBondContact O-CB 3.43Å; E550-K553 PolarHBondContact O-N 3.46Å; E550-L554 PolarHBondContact O-N 3.4Å |
| 551 | A | 53.9 | Low | 56 | Low | 59 Ų | 59 | 114.2 Ų | 114.2 | 49% | 0.488 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -58.6 | -41.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | G547 K553 E555 | G547-A551 VanDerWaalsContact O-CB 3.27Å; G547-A551 WeakPolarHBondContact O-CB 3.31Å; G547-A551 PolarHBondContact O-N 2.98Å; A551-K553 VanDerWaalsContact C-N 3.3Å; A551-K553 PolarHBondContact O-N 2.88Å; A551-E555 WeakPolarHBondContact O-CB 3.4Å; A551-E555 PolarHBondContact O-N 3.33Å |
| 552 | K | 59.3 | Low | 57.5 | Low | 149 Ų | 149 | 117.5 Ų | 117.5 | 65% | 0.648 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -67.9 | -30.1 | 174.7 | -76.3 | -178.6 | 176.6 | -176.5 | 0 | 113 | K548 L549 E550 H556 | K548-K552 WeakPolarHBondContact O-CD 3.48Å; K548-K552 WeakPolarHBondContact O-CG 3.47Å; L549-K552 PolarHBondContact O-N 3.15Å; E550-K552 VanDerWaalsContact C-N 3.31Å; E550-K552 PolarHBondContact O-N 2.9Å; K552-H556 WeakPolarHBondContact O-CB 3.49Å; K552-H556 PolarHBondContact O-N 3.06Å |
| 553 | K | 63.1 | Low | 59 | Low | 134 Ų | 134 | 118.1 Ų | 118.1 | 58% | 0.583 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -69.5 | -49.9 | 176.8 | -151.2 | -173 | 177.4 | -167.4 | 0 | 110.3 | L549 E550 A551 E555 H556 E557 | L549-K553 PolarHBondContact O-N 3.15Å; L549-K553 VanDerWaalsContact O-N 3.09Å; E550-K553 WeakPolarHBondContact O-CA 3.22Å; E550-K553 VanDerWaalsContact O-CB 3.28Å; E550-K553 WeakPolarHBondContact O-CB 3.43Å; E550-K553 PolarHBondContact O-N 3.46Å; A551-K553 VanDerWaalsContact C-N 3.3Å; A551-K553 PolarHBondContact O-N 2.88Å; K553-E555 VanDerWaalsContact C-N 3.34Å; K553-E555 PolarHBondContact O-N 3.39Å; K553-H556 WeakPolarHBondContact O-CB 3.23Å; K553-H556 PolarHBondContact O-N 2.94Å; K553-H556 VanDerWaalsContact O-N 3.14Å; K553-E557 WeakPolarHBondContact O-CB 3.38Å; K553-E557 WeakPolarHBondContact O-CG 3.41Å; K553-E557 PolarHBondContact O-N 3.07Å |
| 554 | L | 65.6 | Low | 60.6 | Low | 114 Ų | 114 | 115.6 Ų | 115.6 | 60% | 0.597 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -60.3 | -39.8 | 173.4 | -72.2 | 165.8 | 0 | 0 | 0 | 112.3 | E550 H556 E557 M558 | E550-L554 PolarHBondContact O-N 3.4Å; L554-H556 VanDerWaalsContact C-N 3.33Å; L554-H556 PolarHBondContact O-N 3.02Å; L554-E557 PolarHBondContact O-N 3.48Å; L554-M558 VanDerWaalsContact O-CB 3.32Å; L554-M558 WeakPolarHBondContact O-CB 3.35Å; L554-M558 PolarHBondContact O-N 2.92Å |
| 555 | E | 62.5 | Low | 61.3 | Low | 100 Ų | 100 | 113.7 Ų | 113.7 | 47% | 0.467 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.1 | -35.7 | 175.5 | -161.2 | -161.2 | 165.1 | 0 | 0 | 112.2 | A551 K553 K559 | A551-E555 WeakPolarHBondContact O-CB 3.4Å; A551-E555 PolarHBondContact O-N 3.33Å; K553-E555 VanDerWaalsContact C-N 3.34Å; K553-E555 PolarHBondContact O-N 3.39Å; E555-K559 VanDerWaalsContact CD-NZ 3.33Å; E555-K559 WeakPolarHBondContact O-CD 3.16Å; E555-K559 VanDerWaalsContact O-CG 3.26Å; E555-K559 WeakPolarHBondContact O-CG 3.44Å; E555-K559 PolarHBondContact O-N 3.1Å; E555-K559 VanDerWaalsContact O-N 3.15Å; E555-K559 WeakPolarHBondContact OE1-CE 3.43Å; E555-K559 IonicContact OE1-NZ 2.75Å; E555-K559 PolarHBondContact OE1-NZ 3.1Å |
| 556 | H | 68 | Low | 63 | Low | 124 Ų | 124 | 110 Ų | 110 | 57% | 0.574 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -71.1 | -44.3 | 174.7 | -173 | 78.3 | 0 | 0 | 0 | 111.8 | K552 K553 L554 K559 Q560 | K552-H556 WeakPolarHBondContact O-CB 3.49Å; K552-H556 PolarHBondContact O-N 3.06Å; K553-H556 WeakPolarHBondContact O-CB 3.23Å; K553-H556 PolarHBondContact O-N 2.94Å; K553-H556 VanDerWaalsContact O-N 3.14Å; L554-H556 VanDerWaalsContact C-N 3.33Å; L554-H556 PolarHBondContact O-N 3.02Å; H556-K559 PolarHBondContact O-N 3.39Å; H556-Q560 WeakPolarHBondContact O-CB 3.38Å; H556-Q560 PolarHBondContact O-N 3.39Å |
| 557 | E | 67.1 | Low | 64.2 | Low | 82 Ų | 82 | 111.6 Ų | 111.6 | 38% | 0.383 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 176.4 | -71.9 | 165.3 | -168.1 | 0 | 0 | 111 | K553 L554 K559 Q560 V561 | K553-E557 WeakPolarHBondContact O-CB 3.38Å; K553-E557 WeakPolarHBondContact O-CG 3.41Å; K553-E557 PolarHBondContact O-N 3.07Å; L554-E557 PolarHBondContact O-N 3.48Å; E557-K559 PolarHBondContact O-N 2.86Å; E557-Q560 PolarHBondContact O-N 3.27Å; E557-Q560 VanDerWaalsContact O-N 3.17Å; E557-V561 WeakPolarHBondContact O-CG2 3.41Å; E557-V561 PolarHBondContact O-N 2.72Å |
| 558 | M | 60.3 | Low | 65.2 | Low | 134 Ų | 134 | 114.4 Ų | 114.4 | 66% | 0.66 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -61.2 | -41.9 | 174.1 | -169.4 | -164.6 | -172.6 | 0 | 0 | 112.2 | L554 Q560 V561 K562 | L554-M558 VanDerWaalsContact O-CB 3.32Å; L554-M558 WeakPolarHBondContact O-CB 3.35Å; L554-M558 PolarHBondContact O-N 2.92Å; M558-Q560 VanDerWaalsContact C-N 3.34Å; M558-V561 PolarHBondContact O-N 3.08Å; M558-K562 WeakPolarHBondContact O-CB 3.43Å; M558-K562 PolarHBondContact O-N 3.41Å |
| 559 | K | 72.3 | Confident | 66.1 | Low | 113 Ų | 113 | 112.9 Ų | 112.9 | 49% | 0.491 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -65 | -37.6 | 174.9 | -74.4 | 168.5 | -172.2 | 171.2 | 0 | 111.9 | E555 H556 E557 K562 L563 | E555-K559 VanDerWaalsContact CD-NZ 3.33Å; E555-K559 WeakPolarHBondContact O-CD 3.16Å; E555-K559 VanDerWaalsContact O-CG 3.26Å; E555-K559 WeakPolarHBondContact O-CG 3.44Å; E555-K559 PolarHBondContact O-N 3.1Å; E555-K559 VanDerWaalsContact O-N 3.15Å; E555-K559 WeakPolarHBondContact OE1-CE 3.43Å; E555-K559 IonicContact OE1-NZ 2.75Å; E555-K559 PolarHBondContact OE1-NZ 3.1Å; H556-K559 PolarHBondContact O-N 3.39Å; E557-K559 PolarHBondContact O-N 2.86Å; K559-K562 PolarHBondContact O-N 3.49Å; K559-L563 WeakPolarHBondContact O-CG 3.42Å; K559-L563 PolarHBondContact O-N 2.99Å |
| 560 | Q | 69.2 | Low | 67.2 | Low | 93 Ų | 93 | 109.9 Ų | 109.9 | 44% | 0.435 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.7 | -40.6 | 176 | -168.8 | 177.7 | 76.3 | 0 | 0 | 112 | H556 E557 M558 R564 | H556-Q560 WeakPolarHBondContact O-CB 3.38Å; H556-Q560 PolarHBondContact O-N 3.39Å; E557-Q560 PolarHBondContact O-N 3.27Å; E557-Q560 VanDerWaalsContact O-N 3.17Å; M558-Q560 VanDerWaalsContact C-N 3.34Å; Q560-R564 WeakPolarHBondContact O-CG 3.32Å; Q560-R564 PolarHBondContact O-N 2.97Å |
| 561 | V | 67.4 | Low | 68 | Low | 93 Ų | 93 | 109 Ų | 109 | 56% | 0.564 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.4 | -44.3 | 172.5 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | E557 M558 L563 R564 L565 | E557-V561 WeakPolarHBondContact O-CG2 3.41Å; E557-V561 PolarHBondContact O-N 2.72Å; M558-V561 PolarHBondContact O-N 3.08Å; V561-L563 PolarHBondContact O-N 2.79Å; V561-R564 WeakPolarHBondContact O-CB 3.41Å; V561-R564 PolarHBondContact O-N 3.49Å; V561-L565 PolarHBondContact O-N 2.89Å |
| 562 | K | 70.6 | Confident | 69 | Low | 138 Ų | 138 | 114 Ų | 114 | 60% | 0.6 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.6 | -35 | -179.5 | -158.6 | 167.5 | -170.7 | 173 | 0 | 112.8 | M558 K559 L565 I566 | M558-K562 WeakPolarHBondContact O-CB 3.43Å; M558-K562 PolarHBondContact O-N 3.41Å; K559-K562 PolarHBondContact O-N 3.49Å; K562-L565 PolarHBondContact O-N 3.05Å; K562-I566 WeakPolarHBondContact O-CG1 3.25Å; K562-I566 PolarHBondContact O-N 3.48Å |
| 563 | L | 75.6 | Confident | 69.6 | Low | 113 Ų | 113 | 110.4 Ų | 110.4 | 59% | 0.592 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.7 | -41.6 | 170.6 | -78.5 | 167 | 0 | 0 | 0 | 112.3 | K559 V561 L565 I566 Q567 | K559-L563 WeakPolarHBondContact O-CG 3.42Å; K559-L563 PolarHBondContact O-N 2.99Å; V561-L563 PolarHBondContact O-N 2.79Å; L563-L565 VanDerWaalsContact C-N 3.31Å; L563-L565 PolarHBondContact O-N 2.92Å; L563-I566 PolarHBondContact O-N 3.4Å; L563-Q567 WeakPolarHBondContact O-CG 3.4Å; L563-Q567 PolarHBondContact O-N 3.3Å |
| 564 | R | 73 | Confident | 70.3 | Confident | 144 Ų | 144 | 106.7 Ų | 106.7 | 54% | 0.543 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.5 | -36.5 | 174.2 | -77.5 | 178.9 | 176.5 | 169.7 | 1.7 | 112.7 | Q560 V561 Q567 L568 | Q560-R564 WeakPolarHBondContact O-CG 3.32Å; Q560-R564 PolarHBondContact O-N 2.97Å; V561-R564 WeakPolarHBondContact O-CB 3.41Å; V561-R564 PolarHBondContact O-N 3.49Å; R564-Q567 PolarHBondContact O-N 3.36Å; R564-L568 WeakPolarHBondContact O-CB 3.43Å; R564-L568 VanDerWaalsContact O-CG 3.31Å; R564-L568 WeakPolarHBondContact O-CG 3.48Å; R564-L568 PolarHBondContact O-N 3.03Å |
| 565 | L | 68.2 | Low | 70.4 | Confident | 96 Ų | 96 | 104.8 Ų | 104.8 | 50% | 0.503 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.8 | -49.2 | 176.4 | -155.5 | 82.8 | 0 | 0 | 0 | 111 | V561 K562 L563 Q567 L568 E569 | V561-L565 PolarHBondContact O-N 2.89Å; K562-L565 PolarHBondContact O-N 3.05Å; L563-L565 VanDerWaalsContact C-N 3.31Å; L563-L565 PolarHBondContact O-N 2.92Å; L565-Q567 VanDerWaalsContact C-N 3.3Å; L565-Q567 PolarHBondContact O-N 2.85Å; L565-L568 PolarHBondContact O-N 3.05Å; L565-E569 WeakPolarHBondContact O-CG 3.26Å; L565-E569 PolarHBondContact O-N 2.9Å |
| 566 | I | 79.3 | Confident | 70.8 | Confident | 100 Ų | 100 | 102.2 Ų | 102.2 | 51% | 0.513 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.3 | -37.3 | 177.8 | -64.5 | 165.1 | 0 | 0 | 0 | 111.4 | K562 L563 S570 | K562-I566 WeakPolarHBondContact O-CG1 3.25Å; K562-I566 PolarHBondContact O-N 3.48Å; L563-I566 PolarHBondContact O-N 3.4Å; I566-S570 PolarHBondContact O-N 2.92Å; I566-S570 PolarHBondContact O-OG 3Å |
| 567 | Q | 70.7 | Confident | 71.1 | Confident | 111 Ų | 111 | 102.4 Ų | 102.4 | 52% | 0.519 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.6 | -49.4 | 173.6 | -72.9 | 178.7 | -52.4 | 0 | 0 | 111.4 | L563 R564 L565 E569 S570 E571 | L563-Q567 WeakPolarHBondContact O-CG 3.4Å; L563-Q567 PolarHBondContact O-N 3.3Å; R564-Q567 PolarHBondContact O-N 3.36Å; L565-Q567 VanDerWaalsContact C-N 3.3Å; L565-Q567 PolarHBondContact O-N 2.85Å; Q567-E569 VanDerWaalsContact C-N 3.33Å; Q567-E569 PolarHBondContact O-N 3.16Å; Q567-S570 PolarHBondContact O-N 3.47Å; Q567-S570 VanDerWaalsContact O-N 3.1Å; Q567-S570 PolarHBondContact O-OG 2.97Å; Q567-E571 WeakPolarHBondContact O-CG 3.39Å; Q567-E571 PolarHBondContact O-N 2.95Å |
| 568 | L | 71.3 | Confident | 71.4 | Confident | 107 Ų | 107 | 107.5 Ų | 107.5 | 56% | 0.56 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.6 | -36.8 | 178.2 | -71.2 | 167.7 | 0 | 0 | 0 | 112.7 | R564 L565 E571 R572 | R564-L568 WeakPolarHBondContact O-CB 3.43Å; R564-L568 VanDerWaalsContact O-CG 3.31Å; R564-L568 WeakPolarHBondContact O-CG 3.48Å; R564-L568 PolarHBondContact O-N 3.03Å; L565-L568 PolarHBondContact O-N 3.05Å; L568-E571 PolarHBondContact O-N 3.31Å; L568-R572 VanDerWaalsContact O-CB 3.29Å; L568-R572 WeakPolarHBondContact O-CB 3.43Å; L568-R572 PolarHBondContact O-N 3.35Å |
| 569 | E | 66.8 | Low | 71.8 | Confident | 100 Ų | 100 | 104.8 Ų | 104.8 | 47% | 0.467 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63 | -44 | 171.7 | -72.9 | 171.9 | 157.7 | 0 | 0 | 111.2 | L565 Q567 E571 R572 D573 | L565-E569 WeakPolarHBondContact O-CG 3.26Å; L565-E569 PolarHBondContact O-N 2.9Å; Q567-E569 VanDerWaalsContact C-N 3.33Å; Q567-E569 PolarHBondContact O-N 3.16Å; E569-E571 PolarHBondContact O-N 3.2Å; E569-R572 PolarHBondContact O-N 2.92Å; E569-D573 WeakPolarHBondContact O-CB 3.4Å; E569-D573 PolarHBondContact O-N 3.48Å |
| 570 | S | 73.8 | Confident | 72.1 | Confident | 71 Ų | 71 | 106.1 Ų | 106.1 | 50% | 0.497 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.9 | -34.1 | 176.3 | 75.7 | 0 | 0 | 0 | 0 | 113.4 | I566 Q567 D573 A574 | I566-S570 PolarHBondContact O-N 2.92Å; I566-S570 PolarHBondContact O-OG 3Å; Q567-S570 PolarHBondContact O-N 3.47Å; Q567-S570 VanDerWaalsContact O-N 3.1Å; Q567-S570 PolarHBondContact O-OG 2.97Å; S570-D573 PolarHBondContact O-N 3.44Å; S570-A574 VanDerWaalsContact O-CB 3.26Å; S570-A574 WeakPolarHBondContact O-CB 3.45Å; S570-A574 PolarHBondContact O-N 3.32Å |
| 571 | E | 71.1 | Confident | 72.5 | Confident | 114 Ų | 114 | 105 Ų | 105 | 53% | 0.533 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -72.2 | -38 | 175 | -72.5 | 173.2 | -172.3 | 0 | 0 | 111.9 | Q567 L568 E569 T575 | Q567-E571 WeakPolarHBondContact O-CG 3.39Å; Q567-E571 PolarHBondContact O-N 2.95Å; L568-E571 PolarHBondContact O-N 3.31Å; E569-E571 PolarHBondContact O-N 3.2Å; E571-T575 WeakPolarHBondContact O-CB 3.44Å; E571-T575 WeakPolarHBondContact O-CG2 3.48Å; E571-T575 PolarHBondContact O-N 3.04Å; E571-T575 PolarHBondContact O-OG1 3.45Å |
| 572 | R | 74.3 | Confident | 72.6 | Confident | 164 Ų | 164 | 106.5 Ų | 106.5 | 62% | 0.619 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62 | -41.9 | 170.5 | -170.8 | -155.1 | 70.8 | 164.9 | -1.6 | 111.5 | L568 E569 T575 A576 | L568-R572 VanDerWaalsContact O-CB 3.29Å; L568-R572 WeakPolarHBondContact O-CB 3.43Å; L568-R572 PolarHBondContact O-N 3.35Å; E569-R572 PolarHBondContact O-N 2.92Å; R572-T575 WeakPolarHBondContact CA-OG1 3.44Å; R572-T575 PolarHBondContact O-OG1 3.06Å; R572-A576 PolarHBondContact O-N 3.47Å |
| 573 | D | 72.1 | Confident | 72.6 | Confident | 73 Ų | 73 | 104.6 Ų | 104.6 | 39% | 0.39 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -77.1 | -31.9 | -178.5 | -72.8 | 8.9 | 0 | 0 | 0 | 111.9 | E569 S570 A576 Q577 | E569-D573 WeakPolarHBondContact O-CB 3.4Å; E569-D573 PolarHBondContact O-N 3.48Å; S570-D573 PolarHBondContact O-N 3.44Å; D573-A576 WeakPolarHBondContact O-CA 3.32Å; D573-A576 PolarHBondContact O-N 3.48Å; D573-Q577 VanDerWaalsContact O-CG 3.32Å; D573-Q577 WeakPolarHBondContact O-CG 3.48Å; D573-Q577 PolarHBondContact O-N 2.95Å |
| 574 | A | 77.4 | Confident | 72.9 | Confident | 57 Ų | 57 | 103.4 Ų | 103.4 | 47% | 0.471 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.9 | -39.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S570 Q577 R578 | S570-A574 VanDerWaalsContact O-CB 3.26Å; S570-A574 WeakPolarHBondContact O-CB 3.45Å; S570-A574 PolarHBondContact O-N 3.32Å; A574-Q577 PolarHBondContact O-N 3.37Å; A574-R578 WeakPolarHBondContact O-CB 3.41Å; A574-R578 PolarHBondContact O-N 3.45Å; A574-R578 VanDerWaalsContact O-N 3.08Å |
| 575 | T | 68.4 | Low | 73 | Confident | 74 Ų | 74 | 98.6 Ų | 98.6 | 45% | 0.454 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68 | -41 | 170.8 | 46.2 | 0 | 0 | 0 | 0 | 111.1 | E571 R572 Q577 R578 I579 | E571-T575 WeakPolarHBondContact O-CB 3.44Å; E571-T575 WeakPolarHBondContact O-CG2 3.48Å; E571-T575 PolarHBondContact O-N 3.04Å; E571-T575 PolarHBondContact O-OG1 3.45Å; R572-T575 WeakPolarHBondContact CA-OG1 3.44Å; R572-T575 PolarHBondContact O-OG1 3.06Å; T575-Q577 VanDerWaalsContact C-N 3.28Å; T575-Q577 PolarHBondContact O-N 3.15Å; T575-R578 PolarHBondContact O-N 2.86Å; T575-I579 WeakPolarHBondContact O-CG1 3.37Å; T575-I579 PolarHBondContact O-N 3.38Å |
| 576 | A | 69.8 | Low | 73.2 | Confident | 45 Ų | 45 | 99 Ų | 99 | 37% | 0.372 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -44.2 | -46.1 | 165.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | R572 D573 I579 R580 | R572-A576 PolarHBondContact O-N 3.47Å; D573-A576 WeakPolarHBondContact O-CA 3.32Å; D573-A576 PolarHBondContact O-N 3.48Å; A576-I579 HydrophobicContact CB-CB 4.35Å; A576-I579 HydrophobicContact CB-CD1 4.26Å; A576-R580 PolarHBondContact O-NE 3.13Å |
| 577 | Q | 74.3 | Confident | 73.2 | Confident | 128 Ų | 128 | 100.3 Ų | 100.3 | 60% | 0.598 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -77 | -25.8 | 177.9 | -71.8 | 170.4 | 41 | 0 | 0 | 113.3 | D573 A574 T575 P581 | D573-Q577 VanDerWaalsContact O-CG 3.32Å; D573-Q577 WeakPolarHBondContact O-CG 3.48Å; D573-Q577 PolarHBondContact O-N 2.95Å; A574-Q577 PolarHBondContact O-N 3.37Å; T575-Q577 VanDerWaalsContact C-N 3.28Å; T575-Q577 PolarHBondContact O-N 3.15Å; Q577-P581 WeakPolarHBondContact O-CD 3.49Å |
| 578 | R | 73.3 | Confident | 73.6 | Confident | 190 Ų | 190 | 101.2 Ų | 101.2 | 72% | 0.717 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -83.9 | -25 | 179.2 | -168.1 | 172.4 | -177.4 | 172.9 | 0.7 | 113.5 | A574 T575 | A574-R578 WeakPolarHBondContact O-CB 3.41Å; A574-R578 PolarHBondContact O-N 3.45Å; A574-R578 VanDerWaalsContact O-N 3.08Å; T575-R578 PolarHBondContact O-N 2.86Å |
| 579 | I | 69.6 | Low | 73.6 | Confident | 77 Ų | 77 | 99.6 Ų | 99.6 | 40% | 0.395 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -78.8 | -44.1 | 177.6 | -70.9 | 164.9 | 0 | 0 | 0 | 111.2 | T575 A576 M582 E583 | T575-I579 WeakPolarHBondContact O-CG1 3.37Å; T575-I579 PolarHBondContact O-N 3.38Å; A576-I579 HydrophobicContact CB-CB 4.35Å; A576-I579 HydrophobicContact CB-CD1 4.26Å; I579-M582 WeakPolarHBondContact O-CA 3.39Å; I579-M582 VanDerWaalsContact O-CB 3.3Å; I579-M582 WeakPolarHBondContact O-CB 3.28Å; I579-M582 PolarHBondContact O-N 2.97Å; I579-E583 HydrophobicContact CG2-CG 3.86Å; I579-E583 WeakPolarHBondContact CG2-OE1 3.39Å; I579-E583 PolarHBondContact O-N 3.41Å |
| 580 | R | 79 | Confident | 74 | Confident | 140 Ų | 140 | 98.7 Ų | 98.7 | 53% | 0.528 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -44.3 | -50 | 178.5 | -93.5 | -177.3 | -79 | 173.7 | -9.9 | 116.5 | A576 M582 E583 E584 | A576-R580 PolarHBondContact O-NE 3.13Å; R580-M582 PolarHBondContact O-N 3.27Å; R580-E583 WeakPolarHBondContact CA-OE2 3.49Å; R580-E583 PolarHBondContact O-N 3.5Å; R580-E583 VanDerWaalsContact O-N 3.14Å; R580-E584 PolarHBondContact O-N 2.88Å |
| 581 | P | 77.4 | Confident | 74.2 | Confident | 70 Ų | 70 | 101.2 Ų | 101.2 | 46% | 0.455 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.1 | -18.7 | 178.1 | 26.7 | -35.6 | 0 | 0 | 0 | 113.8 | Q577 A585 | Q577-P581 WeakPolarHBondContact O-CD 3.49Å; P581-A585 WeakPolarHBondContact O-CB 3.33Å; P581-A585 PolarHBondContact O-N 3.25Å |
| 582 | M | 68.9 | Low | 74.4 | Confident | 124 Ų | 124 | 101.6 Ų | 101.6 | 61% | 0.611 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -80.2 | -35.9 | 170.8 | -60 | -175.5 | 169.7 | 0 | 0 | 111.6 | I579 R580 A585 L586 | I579-M582 WeakPolarHBondContact O-CA 3.39Å; I579-M582 VanDerWaalsContact O-CB 3.3Å; I579-M582 WeakPolarHBondContact O-CB 3.28Å; I579-M582 PolarHBondContact O-N 2.97Å; R580-M582 PolarHBondContact O-N 3.27Å; M582-A585 PolarHBondContact O-N 2.66Å; M582-L586 WeakPolarHBondContact O-CB 3.49Å; M582-L586 PolarHBondContact O-N 3.44Å |
| 583 | E | 71.6 | Confident | 74.2 | Confident | 98 Ų | 98 | 99.9 Ų | 99.9 | 46% | 0.458 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.9 | -45.1 | 173.2 | -63.9 | 170.6 | 144.3 | 0 | 0 | 111.1 | I579 R580 A585 L586 Q587 | I579-E583 HydrophobicContact CG2-CG 3.86Å; I579-E583 WeakPolarHBondContact CG2-OE1 3.39Å; I579-E583 PolarHBondContact O-N 3.41Å; R580-E583 WeakPolarHBondContact CA-OE2 3.49Å; R580-E583 PolarHBondContact O-N 3.5Å; R580-E583 VanDerWaalsContact O-N 3.14Å; E583-A585 VanDerWaalsContact C-N 3.32Å; E583-A585 PolarHBondContact O-N 2.86Å; E583-L586 WeakPolarHBondContact O-CB 3.43Å; E583-L586 PolarHBondContact O-N 2.98Å; E583-Q587 WeakPolarHBondContact O-CG 3.49Å; E583-Q587 PolarHBondContact O-N 2.89Å |
| 584 | E | 80.4 | Confident | 74.4 | Confident | 88 Ų | 88 | 103.3 Ų | 103.3 | 41% | 0.411 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.8 | -38.6 | 172.3 | -73.1 | -178.7 | -147.7 | 0 | 0 | 112.6 | R580 R588 | R580-E584 PolarHBondContact O-N 2.88Å; E584-R588 WeakPolarHBondContact O-CG 3.47Å; E584-R588 PolarHBondContact O-N 3.37Å; E584-R588 IonicContact OE2-CZ 3.63Å; E584-R588 IonicContact OE2-NH1 2.88Å; E584-R588 PolarHBondContact OE2-NH1 3.38Å; E584-R588 IonicContact OE2-NH2 3.01Å; E584-R588 PolarHBondContact OE2-NH2 3.37Å |
| 585 | A | 76.1 | Confident | 74.1 | Confident | 44 Ų | 44 | 103.6 Ų | 103.6 | 36% | 0.364 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.8 | -41.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | P581 M582 E583 R588 T589 | P581-A585 WeakPolarHBondContact O-CB 3.33Å; P581-A585 PolarHBondContact O-N 3.25Å; M582-A585 PolarHBondContact O-N 2.66Å; E583-A585 VanDerWaalsContact C-N 3.32Å; E583-A585 PolarHBondContact O-N 2.86Å; A585-R588 PolarHBondContact O-N 3.21Å; A585-T589 WeakPolarHBondContact O-CG2 3.49Å; A585-T589 PolarHBondContact O-N 2.86Å; A585-T589 PolarHBondContact O-OG1 2.97Å |
| 586 | L | 71.7 | Confident | 74.1 | Confident | 105 Ų | 105 | 102.4 Ų | 102.4 | 55% | 0.55 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -57.5 | -50.5 | 173.2 | -101.6 | 161.6 | 0 | 0 | 0 | 111.3 | M582 E583 R588 T589 E590 | M582-L586 WeakPolarHBondContact O-CB 3.49Å; M582-L586 PolarHBondContact O-N 3.44Å; E583-L586 WeakPolarHBondContact O-CB 3.43Å; E583-L586 PolarHBondContact O-N 2.98Å; L586-R588 PolarHBondContact O-N 2.88Å; L586-T589 PolarHBondContact O-N 2.82Å; L586-T589 VanDerWaalsContact O-N 3.16Å; L586-T589 PolarHBondContact O-OG1 3.02Å; L586-E590 PolarHBondContact O-N 2.95Å |
| 587 | Q | 80.1 | Confident | 74.2 | Confident | 127 Ų | 127 | 105.6 Ų | 105.6 | 59% | 0.593 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -57.5 | -46.1 | 177.8 | -73.3 | 178.5 | -11 | 0 | 0 | 112.1 | E583 T589 E590 E591 | E583-Q587 WeakPolarHBondContact O-CG 3.49Å; E583-Q587 PolarHBondContact O-N 2.89Å; Q587-T589 PolarHBondContact O-N 2.87Å; Q587-E590 WeakPolarHBondContact O-CB 3.33Å; Q587-E590 PolarHBondContact O-N 3.19Å; Q587-E590 VanDerWaalsContact O-N 3.14Å; Q587-E591 WeakPolarHBondContact O-CG 3.48Å; Q587-E591 PolarHBondContact O-N 2.83Å |
| 588 | R | 77.6 | Confident | 74.1 | Confident | 129 Ų | 129 | 104 Ų | 104 | 49% | 0.487 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 175.1 | -70.4 | 172 | -167.8 | 123.4 | 12.8 | 112.1 | E584 A585 L586 E590 E591 E592 | E584-R588 WeakPolarHBondContact O-CG 3.47Å; E584-R588 PolarHBondContact O-N 3.37Å; E584-R588 IonicContact OE2-CZ 3.63Å; E584-R588 IonicContact OE2-NH1 2.88Å; E584-R588 PolarHBondContact OE2-NH1 3.38Å; E584-R588 IonicContact OE2-NH2 3.01Å; E584-R588 PolarHBondContact OE2-NH2 3.37Å; A585-R588 PolarHBondContact O-N 3.21Å; L586-R588 PolarHBondContact O-N 2.88Å; R588-E590 VanDerWaalsContact C-N 3.28Å; R588-E590 PolarHBondContact O-N 2.87Å; R588-E591 PolarHBondContact O-N 2.87Å; R588-E592 WeakPolarHBondContact O-CB 3.38Å; R588-E592 VanDerWaalsContact O-CG 3.29Å; R588-E592 WeakPolarHBondContact O-CG 3.43Å; R588-E592 PolarHBondContact O-N 2.99Å |
| 589 | T | 71.8 | Confident | 74.1 | Confident | 74 Ų | 74 | 101.4 Ų | 101.4 | 45% | 0.454 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.4 | -27.8 | 176.6 | 58.6 | 0 | 0 | 0 | 0 | 113.4 | A585 L586 Q587 R593 | A585-T589 WeakPolarHBondContact O-CG2 3.49Å; A585-T589 PolarHBondContact O-N 2.86Å; A585-T589 PolarHBondContact O-OG1 2.97Å; L586-T589 PolarHBondContact O-N 2.82Å; L586-T589 VanDerWaalsContact O-N 3.16Å; L586-T589 PolarHBondContact O-OG1 3.02Å; Q587-T589 PolarHBondContact O-N 2.87Å; T589-R593 WeakPolarHBondContact O-CB 3.46Å; T589-R593 PolarHBondContact O-N 3.02Å |
| 590 | E | 74.9 | Confident | 74.2 | Confident | 80 Ų | 80 | 103.5 Ų | 103.5 | 37% | 0.374 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -73.1 | -39.2 | 172.1 | -80.2 | -164.5 | -149 | 0 | 0 | 113 | L586 Q587 R588 R593 R594 | L586-E590 PolarHBondContact O-N 2.95Å; Q587-E590 WeakPolarHBondContact O-CB 3.33Å; Q587-E590 PolarHBondContact O-N 3.19Å; Q587-E590 VanDerWaalsContact O-N 3.14Å; R588-E590 VanDerWaalsContact C-N 3.28Å; R588-E590 PolarHBondContact O-N 2.87Å; E590-R593 PolarHBondContact O-N 2.99Å; E590-R594 VanDerWaalsContact O-CG 3.31Å; E590-R594 WeakPolarHBondContact O-CG 3.36Å; E590-R594 PolarHBondContact O-N 2.87Å; E590-R594 IonicContact OE2-NH2 2.75Å |
| 591 | E | 78.6 | Confident | 74 | Confident | 124 Ų | 124 | 102.9 Ų | 102.9 | 58% | 0.579 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.4 | -46 | 174.1 | -70.7 | 176.5 | 161.9 | 0 | 0 | 111.1 | Q587 R588 R593 R594 T595 | Q587-E591 WeakPolarHBondContact O-CG 3.48Å; Q587-E591 PolarHBondContact O-N 2.83Å; R588-E591 PolarHBondContact O-N 2.87Å; E591-R593 VanDerWaalsContact C-N 3.32Å; E591-R593 PolarHBondContact O-N 3.38Å; E591-R594 WeakPolarHBondContact O-CB 3.41Å; E591-R594 PolarHBondContact O-N 2.83Å; E591-R594 VanDerWaalsContact O-N 3.09Å; E591-T595 WeakPolarHBondContact O-CG2 3.27Å; E591-T595 PolarHBondContact O-N 3.36Å |
| 592 | E | 74.4 | Confident | 73.7 | Confident | 122 Ų | 122 | 106.6 Ų | 106.6 | 57% | 0.57 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -54.9 | -47.3 | 172 | -74 | 169.6 | 179.4 | 0 | 0 | 110.8 | R588 R594 T595 A596 | R588-E592 WeakPolarHBondContact O-CB 3.38Å; R588-E592 VanDerWaalsContact O-CG 3.29Å; R588-E592 WeakPolarHBondContact O-CG 3.43Å; R588-E592 PolarHBondContact O-N 2.99Å; E592-R594 VanDerWaalsContact C-N 3.35Å; E592-R594 PolarHBondContact O-N 3.38Å; E592-T595 PolarHBondContact O-N 3.16Å; E592-T595 PolarHBondContact O-OG1 2.89Å; E592-A596 WeakPolarHBondContact O-CB 3.41Å; E592-A596 PolarHBondContact O-N 3.49Å |
| 593 | R | 71.3 | Confident | 73.7 | Confident | 128 Ų | 128 | 104.2 Ų | 104.2 | 48% | 0.483 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.2 | -34.7 | 175.6 | -176.6 | -174.9 | 66 | 90.6 | 1.5 | 113.5 | T589 E590 E591 K597 | T589-R593 WeakPolarHBondContact O-CB 3.46Å; T589-R593 PolarHBondContact O-N 3.02Å; E590-R593 PolarHBondContact O-N 2.99Å; E591-R593 VanDerWaalsContact C-N 3.32Å; E591-R593 PolarHBondContact O-N 3.38Å; R593-K597 PolarHBondContact O-N 2.84Å |
| 594 | R | 76 | Confident | 73.7 | Confident | 146 Ų | 146 | 102 Ų | 102 | 55% | 0.551 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.9 | -51.3 | 173.4 | -71.5 | 171.3 | -160.7 | -153.3 | 5.7 | 110.6 | E590 E591 E592 A596 K597 E598 | E590-R594 VanDerWaalsContact O-CG 3.31Å; E590-R594 WeakPolarHBondContact O-CG 3.36Å; E590-R594 PolarHBondContact O-N 2.87Å; E590-R594 IonicContact OE2-NH2 2.75Å; E591-R594 WeakPolarHBondContact O-CB 3.41Å; E591-R594 PolarHBondContact O-N 2.83Å; E591-R594 VanDerWaalsContact O-N 3.09Å; E592-R594 VanDerWaalsContact C-N 3.35Å; E592-R594 PolarHBondContact O-N 3.38Å; R594-A596 PolarHBondContact O-N 2.91Å; R594-K597 PolarHBondContact O-N 3.41Å; R594-K597 VanDerWaalsContact O-N 3.11Å; R594-E598 PolarHBondContact O-N 2.85Å |
| 595 | T | 70.5 | Confident | 73.3 | Confident | 62 Ų | 62 | 103.2 Ų | 103.2 | 38% | 0.38 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.4 | -27.1 | 178.8 | 68.2 | 0 | 0 | 0 | 0 | 113.2 | E591 E592 K599 | E591-T595 WeakPolarHBondContact O-CG2 3.27Å; E591-T595 PolarHBondContact O-N 3.36Å; E592-T595 PolarHBondContact O-N 3.16Å; E592-T595 PolarHBondContact O-OG1 2.89Å; T595-K599 WeakPolarHBondContact O-CD 3.42Å; T595-K599 VanDerWaalsContact O-CG 3.27Å; T595-K599 WeakPolarHBondContact O-CG 3.16Å; T595-K599 PolarHBondContact O-N 3.45Å; T595-K599 VanDerWaalsContact O-N 3.14Å |
| 596 | A | 69.4 | Low | 73.1 | Confident | 50 Ų | 50 | 106.6 Ų | 106.6 | 41% | 0.413 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.6 | -47.3 | 171 | 0 | 0 | 0 | 0 | 0 | 111.3 | E592 R594 E598 K599 E600 | E592-A596 WeakPolarHBondContact O-CB 3.41Å; E592-A596 PolarHBondContact O-N 3.49Å; R594-A596 PolarHBondContact O-N 2.91Å; A596-E598 PolarHBondContact O-N 2.86Å; A596-K599 WeakPolarHBondContact O-CB 3.44Å; A596-K599 PolarHBondContact O-N 3.3Å; A596-K599 VanDerWaalsContact O-N 3.17Å; A596-E600 WeakPolarHBondContact O-CB 3.31Å; A596-E600 PolarHBondContact O-N 2.92Å |
| 597 | K | 71.4 | Confident | 72.7 | Confident | 112 Ų | 112 | 106.9 Ų | 106.9 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.6 | -39.7 | 175.1 | -77.8 | -174.2 | 165.9 | -110.7 | 0 | 113.1 | R593 R594 K599 E600 Q601 | R593-K597 PolarHBondContact O-N 2.84Å; R594-K597 PolarHBondContact O-N 3.41Å; R594-K597 VanDerWaalsContact O-N 3.11Å; K597-K599 VanDerWaalsContact C-N 3.27Å; K597-K599 PolarHBondContact O-N 3.23Å; K597-E600 PolarHBondContact O-N 2.81Å; K597-Q601 WeakPolarHBondContact O-CB 3.26Å; K597-Q601 WeakPolarHBondContact O-CG 3.45Å; K597-Q601 PolarHBondContact O-N 2.97Å |
| 598 | E | 73.2 | Confident | 72.6 | Confident | 94 Ų | 94 | 106.6 Ų | 106.6 | 44% | 0.439 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.5 | -32.8 | 174.8 | -71.4 | 174.5 | -152.1 | 0 | 0 | 112.6 | R594 A596 R602 | R594-E598 PolarHBondContact O-N 2.85Å; A596-E598 PolarHBondContact O-N 2.86Å; E598-R602 VanDerWaalsContact O-CG 3.26Å; E598-R602 WeakPolarHBondContact O-CG 3.3Å; E598-R602 PolarHBondContact O-N 3.28Å; E598-R602 IonicContact OE2-NH2 3.92Å |
| 599 | K | 72.3 | Confident | 72.5 | Confident | 136 Ų | 136 | 104.9 Ų | 104.9 | 59% | 0.591 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -73.2 | -46 | 173.1 | -71.8 | 165.1 | -175.7 | 170.3 | 0 | 111.4 | T595 A596 K597 Q601 R602 T603 | T595-K599 WeakPolarHBondContact O-CD 3.42Å; T595-K599 VanDerWaalsContact O-CG 3.27Å; T595-K599 WeakPolarHBondContact O-CG 3.16Å; T595-K599 PolarHBondContact O-N 3.45Å; T595-K599 VanDerWaalsContact O-N 3.14Å; A596-K599 WeakPolarHBondContact O-CB 3.44Å; A596-K599 PolarHBondContact O-N 3.3Å; A596-K599 VanDerWaalsContact O-N 3.17Å; K597-K599 VanDerWaalsContact C-N 3.27Å; K597-K599 PolarHBondContact O-N 3.23Å; K599-Q601 VanDerWaalsContact C-N 3.32Å; K599-Q601 PolarHBondContact O-N 2.7Å; K599-R602 PolarHBondContact O-N 2.71Å; K599-R602 VanDerWaalsContact O-N 3.1Å; K599-T603 PolarHBondContact O-N 3.43Å; K599-T603 PolarHBondContact O-OG1 3.33Å; K599-T603 VanDerWaalsContact O-OG1 3.12Å |
| 600 | E | 72.6 | Confident | 72.2 | Confident | 121 Ų | 121 | 108.3 Ų | 108.3 | 57% | 0.565 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -56.4 | -43.7 | 177.6 | -175.8 | 177.8 | -146.8 | 0 | 0 | 111.8 | A596 K597 T603 A604 | A596-E600 WeakPolarHBondContact O-CB 3.31Å; A596-E600 PolarHBondContact O-N 2.92Å; K597-E600 PolarHBondContact O-N 2.81Å; E600-T603 WeakPolarHBondContact CA-OG1 3.26Å; E600-T603 PolarHBondContact O-N 2.92Å; E600-T603 PolarHBondContact O-OG1 3.07Å; E600-A604 WeakPolarHBondContact O-CB 3.34Å; E600-A604 PolarHBondContact O-N 3.33Å |
| 601 | Q | 73.8 | Confident | 72.2 | Confident | 126 Ų | 126 | 110 Ų | 110 | 59% | 0.589 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.4 | -40.9 | 174 | -72.8 | 176.8 | -40.8 | 0 | 0 | 112.6 | K597 K599 A604 Q605 | K597-Q601 WeakPolarHBondContact O-CB 3.26Å; K597-Q601 WeakPolarHBondContact O-CG 3.45Å; K597-Q601 PolarHBondContact O-N 2.97Å; K599-Q601 VanDerWaalsContact C-N 3.32Å; K599-Q601 PolarHBondContact O-N 2.7Å; Q601-A604 PolarHBondContact O-N 2.97Å; Q601-Q605 WeakPolarHBondContact O-CG 3.42Å; Q601-Q605 PolarHBondContact O-N 3.02Å |
| 602 | R | 71.5 | Confident | 72 | Confident | 148 Ų | 148 | 108.9 Ų | 108.9 | 56% | 0.558 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -68.3 | -36.1 | 176.1 | -72.8 | 173.5 | -168.3 | 160.1 | 13.6 | 112.6 | E598 K599 I606 | E598-R602 VanDerWaalsContact O-CG 3.26Å; E598-R602 WeakPolarHBondContact O-CG 3.3Å; E598-R602 PolarHBondContact O-N 3.28Å; E598-R602 IonicContact OE2-NH2 3.92Å; K599-R602 PolarHBondContact O-N 2.71Å; K599-R602 VanDerWaalsContact O-N 3.1Å; R602-I606 WeakPolarHBondContact O-CD1 3.49Å; R602-I606 VanDerWaalsContact O-CG1 3.25Å; R602-I606 WeakPolarHBondContact O-CG1 3.35Å; R602-I606 PolarHBondContact O-N 3.34Å |
| 603 | T | 68.1 | Low | 71.9 | Confident | 74 Ų | 74 | 105.1 Ų | 105.1 | 45% | 0.454 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.7 | -41.1 | 174 | 43.8 | 0 | 0 | 0 | 0 | 111.4 | K599 E600 Q605 I606 E607 | K599-T603 PolarHBondContact O-N 3.43Å; K599-T603 PolarHBondContact O-OG1 3.33Å; K599-T603 VanDerWaalsContact O-OG1 3.12Å; E600-T603 WeakPolarHBondContact CA-OG1 3.26Å; E600-T603 PolarHBondContact O-N 2.92Å; E600-T603 PolarHBondContact O-OG1 3.07Å; T603-Q605 PolarHBondContact O-N 3.03Å; T603-I606 PolarHBondContact O-N 2.84Å; T603-E607 WeakPolarHBondContact O-CG 3.38Å; T603-E607 PolarHBondContact O-N 2.8Å |
| 604 | A | 71.9 | Confident | 71.2 | Confident | 51 Ų | 51 | 104 Ų | 104 | 42% | 0.421 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.6 | -45.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | E600 Q601 I606 E607 E608 | E600-A604 WeakPolarHBondContact O-CB 3.34Å; E600-A604 PolarHBondContact O-N 3.33Å; Q601-A604 PolarHBondContact O-N 2.97Å; A604-I606 VanDerWaalsContact C-N 3.34Å; A604-I606 PolarHBondContact O-N 2.91Å; A604-E607 PolarHBondContact O-N 3.13Å; A604-E608 WeakPolarHBondContact O-CB 3.35Å; A604-E608 PolarHBondContact O-N 3.3Å |
| 605 | Q | 72.7 | Confident | 70.8 | Confident | 115 Ų | 115 | 103.6 Ų | 103.6 | 54% | 0.537 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.1 | -38.3 | 175.3 | -73.5 | 171.4 | -22.9 | 0 | 0 | 112.9 | Q601 T603 E608 L609 | Q601-Q605 WeakPolarHBondContact O-CG 3.42Å; Q601-Q605 PolarHBondContact O-N 3.02Å; T603-Q605 PolarHBondContact O-N 3.03Å; Q605-E608 PolarHBondContact O-N 3.3Å; Q605-L609 WeakPolarHBondContact O-CB 3.48Å; Q605-L609 WeakPolarHBondContact O-CD1 3.39Å; Q605-L609 VanDerWaalsContact O-CG 3.29Å; Q605-L609 WeakPolarHBondContact O-CG 3.36Å; Q605-L609 PolarHBondContact O-N 2.88Å |
| 606 | I | 71.1 | Confident | 70.7 | Confident | 115 Ų | 115 | 106.7 Ų | 106.7 | 59% | 0.59 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -70.1 | -37.7 | 176.1 | -69.2 | 164.7 | 0 | 0 | 0 | 111.2 | R602 T603 A604 E608 Y610 | R602-I606 WeakPolarHBondContact O-CD1 3.49Å; R602-I606 VanDerWaalsContact O-CG1 3.25Å; R602-I606 WeakPolarHBondContact O-CG1 3.35Å; R602-I606 PolarHBondContact O-N 3.34Å; T603-I606 PolarHBondContact O-N 2.84Å; A604-I606 VanDerWaalsContact C-N 3.34Å; A604-I606 PolarHBondContact O-N 2.91Å; I606-E608 VanDerWaalsContact C-N 3.33Å; I606-Y610 WeakPolarHBondContact O-CB 3.44Å; I606-Y610 PolarHBondContact O-N 2.9Å |
| 607 | E | 64.6 | Low | 70.5 | Confident | 111 Ų | 111 | 107.9 Ų | 107.9 | 52% | 0.519 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.3 | -29.5 | 174.6 | -74.4 | 178 | -154.1 | 0 | 0 | 113.2 | T603 A604 K611 | T603-E607 WeakPolarHBondContact O-CG 3.38Å; T603-E607 PolarHBondContact O-N 2.8Å; A604-E607 PolarHBondContact O-N 3.13Å; E607-K611 VanDerWaalsContact O-CD 3.31Å; E607-K611 WeakPolarHBondContact O-CD 3.38Å; E607-K611 WeakPolarHBondContact O-CE 3.37Å; E607-K611 VanDerWaalsContact O-CG 3.26Å; E607-K611 WeakPolarHBondContact O-CG 3.47Å; E607-K611 PolarHBondContact O-N 2.99Å |
| 608 | E | 75.9 | Confident | 70.5 | Confident | 120 Ų | 120 | 109.7 Ų | 109.7 | 56% | 0.561 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -71.8 | -55 | 174.9 | -166.1 | 156.4 | -131.9 | 0 | 0 | 110.2 | A604 Q605 I606 Y610 K611 E612 | A604-E608 WeakPolarHBondContact O-CB 3.35Å; A604-E608 PolarHBondContact O-N 3.3Å; Q605-E608 PolarHBondContact O-N 3.3Å; I606-E608 VanDerWaalsContact C-N 3.33Å; E608-Y610 PolarHBondContact O-N 3.45Å; E608-Y610 VanDerWaalsContact O-N 3.17Å; E608-K611 WeakPolarHBondContact O-CB 3.3Å; E608-K611 PolarHBondContact O-N 3.48Å; E608-E612 PolarHBondContact O-N 3.24Å |
| 609 | L | 76.6 | Confident | 69.8 | Low | 93 Ų | 93 | 111.2 Ų | 111.2 | 49% | 0.487 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -55.6 | -33.5 | 172.8 | -71 | 166.2 | 0 | 0 | 0 | 113 | Q605 A613 | Q605-L609 WeakPolarHBondContact O-CB 3.48Å; Q605-L609 WeakPolarHBondContact O-CD1 3.39Å; Q605-L609 VanDerWaalsContact O-CG 3.29Å; Q605-L609 WeakPolarHBondContact O-CG 3.36Å; Q605-L609 PolarHBondContact O-N 2.88Å; L609-A613 WeakPolarHBondContact O-CB 3.45Å; L609-A613 PolarHBondContact O-N 3.02Å |
| 610 | Y | 65.8 | Low | 69.1 | Low | 147 Ų | 147 | 109.8 Ų | 109.8 | 58% | 0.576 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -72.5 | -32.4 | 176.3 | -176.6 | -108.7 | 0 | 0 | 0 | 112.9 | I606 E608 Q614 | I606-Y610 WeakPolarHBondContact O-CB 3.44Å; I606-Y610 PolarHBondContact O-N 2.9Å; E608-Y610 PolarHBondContact O-N 3.45Å; E608-Y610 VanDerWaalsContact O-N 3.17Å; Y610-Q614 HydrophobicContact CE1-CG 4.33Å; Y610-Q614 VanDerWaalsContact CZ-NE2 3.28Å; Y610-Q614 WeakPolarHBondContact O-CG 3.45Å; Y610-Q614 PolarHBondContact O-N 2.91Å; Y610-Q614 PolarHBondContact OH-NE2 3.3Å; Y610-Q614 VanDerWaalsContact OH-NE2 3.09Å |
| 611 | K | 75.3 | Confident | 68.1 | Low | 114 Ų | 114 | 109.3 Ų | 109.3 | 50% | 0.496 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -71.1 | -45.4 | 172.2 | -70.8 | 158.4 | -167 | 153.9 | 0 | 110.7 | E607 E608 A613 Q614 E615 | E607-K611 VanDerWaalsContact O-CD 3.31Å; E607-K611 WeakPolarHBondContact O-CD 3.38Å; E607-K611 WeakPolarHBondContact O-CE 3.37Å; E607-K611 VanDerWaalsContact O-CG 3.26Å; E607-K611 WeakPolarHBondContact O-CG 3.47Å; E607-K611 PolarHBondContact O-N 2.99Å; E608-K611 WeakPolarHBondContact O-CB 3.3Å; E608-K611 PolarHBondContact O-N 3.48Å; K611-A613 VanDerWaalsContact C-N 3.33Å; K611-A613 PolarHBondContact O-N 2.72Å; K611-Q614 WeakPolarHBondContact O-CB 3.41Å; K611-Q614 PolarHBondContact O-N 2.94Å; K611-E615 PolarHBondContact O-N 3.25Å |
| 612 | E | 73.6 | Confident | 67.4 | Low | 102 Ų | 102 | 108.2 Ų | 108.2 | 48% | 0.477 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -54.6 | -49.6 | 174.1 | -67.8 | 177.5 | 158.1 | 0 | 0 | 110.7 | E608 Q614 E615 E616 | E608-E612 PolarHBondContact O-N 3.24Å; E612-Q614 VanDerWaalsContact C-N 3.33Å; E612-Q614 PolarHBondContact O-N 3.37Å; E612-E615 PolarHBondContact O-N 2.83Å; E612-E615 VanDerWaalsContact O-N 3.12Å; E612-E616 PolarHBondContact O-N 3.34Å |
| 613 | A | 71.6 | Confident | 66.3 | Low | 43 Ų | 43 | 103.4 Ų | 103.4 | 36% | 0.355 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.4 | -32.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.8 | L609 K611 V617 | L609-A613 WeakPolarHBondContact O-CB 3.45Å; L609-A613 PolarHBondContact O-N 3.02Å; K611-A613 VanDerWaalsContact C-N 3.33Å; K611-A613 PolarHBondContact O-N 2.72Å; A613-V617 WeakPolarHBondContact O-CB 3.31Å; A613-V617 WeakPolarHBondContact O-CG2 3.38Å; A613-V617 PolarHBondContact O-N 2.82Å |
| 614 | Q | 57.9 | Low | 65.5 | Low | 104 Ų | 104 | 107.3 Ų | 107.3 | 49% | 0.486 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -69.5 | -37 | 172.2 | -80.2 | -170.5 | -11.4 | 0 | 0 | 112.3 | Y610 K611 E612 R618 | Y610-Q614 HydrophobicContact CE1-CG 4.33Å; Y610-Q614 VanDerWaalsContact CZ-NE2 3.28Å; Y610-Q614 WeakPolarHBondContact O-CG 3.45Å; Y610-Q614 PolarHBondContact O-N 2.91Å; Y610-Q614 PolarHBondContact OH-NE2 3.3Å; Y610-Q614 VanDerWaalsContact OH-NE2 3.09Å; K611-Q614 WeakPolarHBondContact O-CB 3.41Å; K611-Q614 PolarHBondContact O-N 2.94Å; E612-Q614 VanDerWaalsContact C-N 3.33Å; E612-Q614 PolarHBondContact O-N 3.37Å; Q614-R618 WeakPolarHBondContact O-CB 3.46Å; Q614-R618 PolarHBondContact O-N 2.84Å |
| 615 | E | 66.6 | Low | 64.6 | Low | 137 Ų | 137 | 113.2 Ų | 113.2 | 64% | 0.64 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -72.2 | -39.5 | 176.2 | -70 | -172.4 | 175.3 | 0 | 0 | 111.6 | K611 E612 R618 M619 | K611-E615 PolarHBondContact O-N 3.25Å; E612-E615 PolarHBondContact O-N 2.83Å; E612-E615 VanDerWaalsContact O-N 3.12Å; E615-R618 PolarHBondContact O-N 3.46Å; E615-M619 WeakPolarHBondContact O-CB 3.47Å; E615-M619 VanDerWaalsContact O-CG 3.23Å; E615-M619 WeakPolarHBondContact O-CG 3.47Å; E615-M619 PolarHBondContact O-N 3.18Å |
| 616 | E | 69.4 | Low | 63.5 | Low | 127 Ų | 127 | 109.6 Ų | 109.6 | 59% | 0.593 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -58.3 | -50.2 | 168.5 | -74.1 | -169.7 | 156.8 | 0 | 0 | 111.6 | E612 R618 M619 L620 | E612-E616 PolarHBondContact O-N 3.34Å; E616-R618 VanDerWaalsContact C-N 3.28Å; E616-R618 PolarHBondContact O-N 2.99Å; E616-M619 PolarHBondContact O-N 3.5Å; E616-M619 VanDerWaalsContact O-N 3.17Å; E616-L620 WeakPolarHBondContact O-CB 3.45Å; E616-L620 VanDerWaalsContact O-CG 3.28Å; E616-L620 WeakPolarHBondContact O-CG 3.17Å; E616-L620 PolarHBondContact O-N 2.83Å |
| 617 | V | 63.9 | Low | 62.5 | Low | 76 Ų | 76 | 111.1 Ų | 111.1 | 46% | 0.461 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61 | -38.2 | 178.1 | 165.4 | 0 | 0 | 0 | 0 | 111.2 | A613 Q621 | A613-V617 WeakPolarHBondContact O-CB 3.31Å; A613-V617 WeakPolarHBondContact O-CG2 3.38Å; A613-V617 PolarHBondContact O-N 2.82Å; V617-Q621 VanDerWaalsContact CG1-NE2 3.31Å; V617-Q621 WeakPolarHBondContact O-CB 3.22Å; V617-Q621 WeakPolarHBondContact O-CG 3.41Å; V617-Q621 PolarHBondContact O-N 3.33Å |
| 618 | R | 72.3 | Confident | 61.4 | Low | 149 Ų | 149 | 110.1 Ų | 110.1 | 56% | 0.562 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.4 | -51.5 | 172.3 | 179.9 | -168.4 | 157.2 | -173.9 | -8.4 | 111 | Q614 E615 E616 L620 Q621 E622 | Q614-R618 WeakPolarHBondContact O-CB 3.46Å; Q614-R618 PolarHBondContact O-N 2.84Å; E615-R618 PolarHBondContact O-N 3.46Å; E616-R618 VanDerWaalsContact C-N 3.28Å; E616-R618 PolarHBondContact O-N 2.99Å; R618-L620 VanDerWaalsContact C-N 3.28Å; R618-L620 PolarHBondContact O-N 3.15Å; R618-Q621 CarbonylContact O-C 3.54Å; R618-Q621 WeakPolarHBondContact O-CA 3.5Å; R618-Q621 WeakPolarHBondContact O-CB 3.35Å; R618-Q621 PolarHBondContact O-N 3.36Å; R618-E622 IonicContact CZ-OE2 3.1Å; R618-E622 IonicContact NE-OE2 3.25Å; R618-E622 PolarHBondContact NE-OE2 3.35Å; R618-E622 IonicContact NH2-OE1 2.72Å; R618-E622 IonicContact NH2-OE2 2.66Å; R618-E622 PolarHBondContact NH2-OE2 3.41Å; R618-E622 WeakPolarHBondContact O-CB 3.43Å; R618-E622 PolarHBondContact O-N 3.39Å |
| 619 | M | 58.1 | Low | 60.2 | Low | 126 Ų | 126 | 108.2 Ų | 108.2 | 62% | 0.621 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -59.4 | -39.1 | -178.9 | -74.1 | -68.8 | -73.5 | 0 | 0 | 111.7 | E615 E616 E622 A623 | E615-M619 WeakPolarHBondContact O-CB 3.47Å; E615-M619 VanDerWaalsContact O-CG 3.23Å; E615-M619 WeakPolarHBondContact O-CG 3.47Å; E615-M619 PolarHBondContact O-N 3.18Å; E616-M619 PolarHBondContact O-N 3.5Å; E616-M619 VanDerWaalsContact O-N 3.17Å; M619-E622 PolarHBondContact O-N 3.1Å; M619-A623 VanDerWaalsContact O-CB 3.31Å; M619-A623 WeakPolarHBondContact O-CB 3.25Å; M619-A623 PolarHBondContact O-N 3.11Å |
| 620 | L | 58.1 | Low | 59 | Low | 106 Ų | 106 | 109.6 Ų | 109.6 | 56% | 0.555 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65.8 | -41.5 | 173.1 | -69.9 | 167.8 | 0 | 0 | 0 | 112.1 | E616 R618 E622 L624 | E616-L620 WeakPolarHBondContact O-CB 3.45Å; E616-L620 VanDerWaalsContact O-CG 3.28Å; E616-L620 WeakPolarHBondContact O-CG 3.17Å; E616-L620 PolarHBondContact O-N 2.83Å; R618-L620 VanDerWaalsContact C-N 3.28Å; R618-L620 PolarHBondContact O-N 3.15Å; L620-E622 VanDerWaalsContact C-N 3.31Å; L620-E622 PolarHBondContact O-N 3.47Å; L620-L624 WeakPolarHBondContact O-CB 3.34Å; L620-L624 WeakPolarHBondContact O-CD1 3.46Å; L620-L624 PolarHBondContact O-N 3.47Å |
| 621 | Q | 51.3 | Low | 58.4 | Low | 111 Ų | 111 | 109.4 Ų | 109.4 | 52% | 0.519 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -67.7 | -28.6 | 173.7 | -72.9 | 174 | 23.4 | 0 | 0 | 113.4 | V617 R618 K625 | V617-Q621 VanDerWaalsContact CG1-NE2 3.31Å; V617-Q621 WeakPolarHBondContact O-CB 3.22Å; V617-Q621 WeakPolarHBondContact O-CG 3.41Å; V617-Q621 PolarHBondContact O-N 3.33Å; R618-Q621 CarbonylContact O-C 3.54Å; R618-Q621 WeakPolarHBondContact O-CA 3.5Å; R618-Q621 WeakPolarHBondContact O-CB 3.35Å; R618-Q621 PolarHBondContact O-N 3.36Å; Q621-K625 WeakPolarHBondContact O-CD 3.15Å; Q621-K625 WeakPolarHBondContact O-CG 3.23Å |
| 622 | E | 58.1 | Low | 57.4 | Low | 103 Ų | 103 | 105.6 Ų | 105.6 | 48% | 0.481 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -78.2 | -41.7 | 177.3 | -149.8 | 156.2 | 161.8 | 0 | 0 | 109.8 | R618 M619 L620 K625 | R618-E622 IonicContact CZ-OE2 3.1Å; R618-E622 IonicContact NE-OE2 3.25Å; R618-E622 PolarHBondContact NE-OE2 3.35Å; R618-E622 IonicContact NH2-OE1 2.72Å; R618-E622 IonicContact NH2-OE2 2.66Å; R618-E622 PolarHBondContact NH2-OE2 3.41Å; R618-E622 WeakPolarHBondContact O-CB 3.43Å; R618-E622 PolarHBondContact O-N 3.39Å; M619-E622 PolarHBondContact O-N 3.1Å; L620-E622 VanDerWaalsContact C-N 3.31Å; L620-E622 PolarHBondContact O-N 3.47Å; E622-K625 WeakPolarHBondContact O-CB 3.22Å; E622-K625 PolarHBondContact O-N 2.76Å; E622-K625 VanDerWaalsContact O-N 3.15Å |
| 623 | A | 49.2 | Very low | 56.4 | Low | 48 Ų | 48 | 103 Ų | 103 | 40% | 0.397 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.5 | -41.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | M619 K625 G626 | M619-A623 VanDerWaalsContact O-CB 3.31Å; M619-A623 WeakPolarHBondContact O-CB 3.25Å; M619-A623 PolarHBondContact O-N 3.11Å; A623-K625 PolarHBondContact O-N 3.28Å; A623-K625 VanDerWaalsContact O-N 3.15Å; A623-G626 PolarHBondContact O-N 2.65Å |
| 624 | L | 51.6 | Low | 55.5 | Low | 155 Ų | 155 | 103.4 Ų | 103.4 | 81% | 0.812 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | -19.4 | 173.8 | -103.3 | 96.6 | 0 | 0 | 0 | 113.4 | L620 | L620-L624 WeakPolarHBondContact O-CB 3.34Å; L620-L624 WeakPolarHBondContact O-CD1 3.46Å; L620-L624 PolarHBondContact O-N 3.47Å |
| 625 | K | 53.3 | Low | 55.8 | Low | 176 Ų | 176 | 104 Ų | 104 | 77% | 0.765 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -11.1 | 179.7 | -78.6 | 172 | 180 | 166.9 | 0 | 114.4 | Q621 E622 A623 | Q621-K625 WeakPolarHBondContact O-CD 3.15Å; Q621-K625 WeakPolarHBondContact O-CG 3.23Å; E622-K625 WeakPolarHBondContact O-CB 3.22Å; E622-K625 PolarHBondContact O-N 2.76Å; E622-K625 VanDerWaalsContact O-N 3.15Å; A623-K625 PolarHBondContact O-N 3.28Å; A623-K625 VanDerWaalsContact O-N 3.15Å |
| 626 | G | 48.5 | Very low | 55.4 | Low | 39 Ų | 39 | 102 Ų | 102 | 40% | 0.402 | 56% | 0.555 | S | S | . | * | S | Bend | trans | -166.7 | 73 | -169 | 0 | 0 | 0 | 0 | 0 | 117 | A623 V628 | A623-G626 PolarHBondContact O-N 2.65Å; G626-V628 PolarHBondContact O-N 3.5Å |
| 627 | T | 51.2 | Low | 54.7 | Low | 147 Ų | 147 | 103 Ų | 103 | 90% | 0.902 | 56% | 0.558 | S | S | * | * | trans | 45 | 65.9 | 151.3 | 57.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 628 | V | 40.5 | Very low | 54.9 | Low | 89 Ų | 89 | 106 Ų | 106 | 54% | 0.539 | 57% | 0.566 | S | S | . | * | trans | -112.1 | 123.6 | 159.5 | -179.6 | 0 | 0 | 0 | 0 | 108.3 | G626 A632 | G626-V628 PolarHBondContact O-N 3.5Å; V628-A632 HydrophobicContact CG1-CB 3.86Å | ||
| 629 | P | 50.5 | Low | 54.7 | Low | 81 Ų | 81 | 103.5 Ų | 103.5 | 53% | 0.526 | 56% | 0.561 | S | S | . | * | trans | -64.3 | 145.4 | 175 | -19.1 | 31.9 | 0 | 0 | 0 | 111.2 | E631 A632 | P629-E631 WeakPolarHBondContact CB-OE2 3.28Å; P629-E631 PolarHBondContact O-N 2.81Å; P629-A632 WeakPolarHBondContact O-CB 3.11Å; P629-A632 PolarHBondContact O-N 3.13Å | ||
| 630 | V | 51.7 | Low | 54.7 | Low | 121 Ų | 121 | 103.9 Ų | 103.9 | 73% | 0.733 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -61.7 | -27.7 | 179.8 | -179.7 | 0 | 0 | 0 | 0 | 111 | A632 A634 | V630-A632 VanDerWaalsContact C-N 3.26Å; V630-A632 PolarHBondContact O-N 3.38Å; V630-A634 VanDerWaalsContact O-CB 3.29Å; V630-A634 WeakPolarHBondContact O-CB 3.36Å; V630-A634 PolarHBondContact O-N 2.94Å |
| 631 | E | 53.4 | Low | 54.9 | Low | 143 Ų | 143 | 104.6 Ų | 104.6 | 67% | 0.668 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -61.5 | -28.2 | 173.4 | -60.4 | 86.8 | 166 | 0 | 0 | 113.7 | P629 K635 | P629-E631 WeakPolarHBondContact CB-OE2 3.28Å; P629-E631 PolarHBondContact O-N 2.81Å; E631-K635 VanDerWaalsContact O-CB 3.27Å; E631-K635 WeakPolarHBondContact O-CB 3.43Å; E631-K635 PolarHBondContact O-N 2.98Å |
| 632 | A | 54.1 | Low | 55.8 | Low | 34 Ų | 34 | 102 Ų | 102 | 28% | 0.281 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -72.9 | -54.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | V628 P629 V630 A634 K635 D636 | V628-A632 HydrophobicContact CG1-CB 3.86Å; P629-A632 WeakPolarHBondContact O-CB 3.11Å; P629-A632 PolarHBondContact O-N 3.13Å; V630-A632 VanDerWaalsContact C-N 3.26Å; V630-A632 PolarHBondContact O-N 3.38Å; A632-A634 VanDerWaalsContact C-N 3.28Å; A632-A634 PolarHBondContact O-N 2.95Å; A632-K635 WeakPolarHBondContact O-CA 3.28Å; A632-K635 WeakPolarHBondContact O-CB 3.43Å; A632-K635 PolarHBondContact O-N 3.46Å; A632-D636 VanDerWaalsContact O-CG 3.22Å; A632-D636 PolarHBondContact O-N 3.31Å |
| 633 | A | 53.8 | Low | 56.2 | Low | 47 Ų | 47 | 101.8 Ų | 101.8 | 39% | 0.388 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -59.8 | -38 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | K635 D636 F637 | A633-K635 VanDerWaalsContact C-N 3.35Å; A633-D636 PolarHBondContact O-N 3.09Å; A633-F637 WeakPolarHBondContact O-CD2 3.24Å; A633-F637 PolarHBondContact O-N 3.47Å |
| 634 | A | 53.2 | Low | 56.9 | Low | 52 Ų | 52 | 103 Ų | 103 | 43% | 0.43 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.9 | -38.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V630 A632 E638 | V630-A634 VanDerWaalsContact O-CB 3.29Å; V630-A634 WeakPolarHBondContact O-CB 3.36Å; V630-A634 PolarHBondContact O-N 2.94Å; A632-A634 VanDerWaalsContact C-N 3.28Å; A632-A634 PolarHBondContact O-N 2.95Å; A634-E638 PolarHBondContact O-N 2.68Å |
| 635 | K | 62.8 | Low | 57.8 | Low | 116 Ų | 116 | 100 Ų | 100 | 50% | 0.504 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -66.8 | -44.9 | 173.9 | 179.9 | -179.9 | 170.4 | -67.2 | 0 | 111.3 | E631 A632 A633 F637 E638 E639 | E631-K635 VanDerWaalsContact O-CB 3.27Å; E631-K635 WeakPolarHBondContact O-CB 3.43Å; E631-K635 PolarHBondContact O-N 2.98Å; A632-K635 WeakPolarHBondContact O-CA 3.28Å; A632-K635 WeakPolarHBondContact O-CB 3.43Å; A632-K635 PolarHBondContact O-N 3.46Å; A633-K635 VanDerWaalsContact C-N 3.35Å; K635-F637 VanDerWaalsContact C-N 3.27Å; K635-F637 PolarHBondContact O-N 2.94Å; K635-E638 PolarHBondContact O-N 3.26Å; K635-E638 VanDerWaalsContact O-N 3.08Å; K635-E639 IonicContact NZ-OE1 2.74Å; K635-E639 IonicContact NZ-OE2 3.74Å; K635-E639 PolarHBondContact NZ-OE2 3Å; K635-E639 WeakPolarHBondContact O-CB 3.35Å; K635-E639 PolarHBondContact O-N 3.18Å |
| 636 | D | 59 | Low | 58.9 | Low | 96 Ų | 96 | 98.6 Ų | 98.6 | 51% | 0.513 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.1 | -37 | 179.3 | -59.3 | -23.6 | 0 | 0 | 0 | 111 | A632 A633 E639 M640 | A632-D636 VanDerWaalsContact O-CG 3.22Å; A632-D636 PolarHBondContact O-N 3.31Å; A633-D636 PolarHBondContact O-N 3.09Å; D636-E639 PolarHBondContact O-N 2.07Å; D636-M640 VanDerWaalsContact O-CB 3.28Å; D636-M640 WeakPolarHBondContact O-CB 3.45Å; D636-M640 PolarHBondContact O-N 3.25Å |
| 637 | F | 54.4 | Low | 60.1 | Low | 149 Ų | 149 | 100.3 Ų | 100.3 | 65% | 0.654 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67.4 | -37.1 | 170.8 | -93 | -70.9 | 0 | 0 | 0 | 113.9 | A633 K635 K641 | A633-F637 WeakPolarHBondContact O-CD2 3.24Å; A633-F637 PolarHBondContact O-N 3.47Å; K635-F637 VanDerWaalsContact C-N 3.27Å; K635-F637 PolarHBondContact O-N 2.94Å; F637-K641 WeakPolarHBondContact O-CB 3.45Å; F637-K641 PolarHBondContact O-N 2.91Å; F637-K641 VanDerWaalsContact O-N 3.1Å |
| 638 | E | 68.1 | Low | 61.1 | Low | 137 Ų | 137 | 95 Ų | 95 | 64% | 0.64 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -71.8 | -32 | 173.4 | -71.7 | -139.7 | 127.9 | 0 | 0 | 112.6 | A634 K635 K641 A642 | A634-E638 PolarHBondContact O-N 2.68Å; K635-E638 PolarHBondContact O-N 3.26Å; K635-E638 VanDerWaalsContact O-N 3.08Å; E638-K641 PolarHBondContact O-N 3.5Å; E638-A642 WeakPolarHBondContact O-CB 3.34Å; E638-A642 PolarHBondContact O-N 3.18Å |
| 639 | E | 67.1 | Low | 62.7 | Low | 97 Ų | 97 | 93.3 Ų | 93.3 | 45% | 0.453 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -73.2 | -47.5 | 178 | -159.7 | 154.6 | -176.4 | 0 | 0 | 110.8 | K635 D636 K641 A642 D643 | K635-E639 IonicContact NZ-OE1 2.74Å; K635-E639 IonicContact NZ-OE2 3.74Å; K635-E639 PolarHBondContact NZ-OE2 3Å; K635-E639 WeakPolarHBondContact O-CB 3.35Å; K635-E639 PolarHBondContact O-N 3.18Å; D636-E639 PolarHBondContact O-N 2.07Å; E639-K641 PolarHBondContact O-N 2.71Å; E639-A642 WeakPolarHBondContact O-CA 3.18Å; E639-A642 WeakPolarHBondContact O-CB 3.41Å; E639-A642 PolarHBondContact O-N 3.23Å; E639-D643 PolarHBondContact O-N 3.02Å |
| 640 | M | 58.6 | Low | 64 | Low | 134 Ų | 134 | 91.3 Ų | 91.3 | 66% | 0.66 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -58.9 | -35.4 | 171.2 | -169 | -177.5 | -157.1 | 0 | 0 | 112.4 | D636 L644 | D636-M640 VanDerWaalsContact O-CB 3.28Å; D636-M640 WeakPolarHBondContact O-CB 3.45Å; D636-M640 PolarHBondContact O-N 3.25Å; M640-L644 WeakPolarHBondContact O-CB 3.27Å; M640-L644 PolarHBondContact O-N 2.89Å |
| 641 | K | 63.5 | Low | 65 | Low | 122 Ų | 122 | 88.3 Ų | 88.3 | 53% | 0.53 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -72 | -33.4 | 173.6 | 178.7 | -179.6 | 173.4 | -168.7 | 0 | 112.3 | F637 E638 E639 N645 | F637-K641 WeakPolarHBondContact O-CB 3.45Å; F637-K641 PolarHBondContact O-N 2.91Å; F637-K641 VanDerWaalsContact O-N 3.1Å; E638-K641 PolarHBondContact O-N 3.5Å; E639-K641 PolarHBondContact O-N 2.71Å; K641-N645 PolarHBondContact O-N 2.97Å; K641-N645 VanDerWaalsContact O-N 3.13Å; K641-N645 PolarHBondContact O-ND2 2.97Å |
| 642 | A | 68.6 | Low | 66 | Low | 56 Ų | 56 | 85.6 Ų | 85.6 | 46% | 0.463 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.7 | -49 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | E638 E639 L644 N645 E646 | E638-A642 WeakPolarHBondContact O-CB 3.34Å; E638-A642 PolarHBondContact O-N 3.18Å; E639-A642 WeakPolarHBondContact O-CA 3.18Å; E639-A642 WeakPolarHBondContact O-CB 3.41Å; E639-A642 PolarHBondContact O-N 3.23Å; A642-L644 PolarHBondContact O-N 3.36Å; A642-N645 CarbonylContact O-C 3.53Å; A642-N645 WeakPolarHBondContact O-CA 3.45Å; A642-N645 PolarHBondContact O-N 3.48Å; A642-E646 PolarHBondContact O-N 3.48Å |
| 643 | D | 66.9 | Low | 67.3 | Low | 98 Ų | 98 | 89.5 Ų | 89.5 | 52% | 0.524 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -56.3 | -46.7 | 175.9 | -71.9 | -7.4 | 0 | 0 | 0 | 111.7 | E639 N645 E646 V647 | E639-D643 PolarHBondContact O-N 3.02Å; D643-N645 VanDerWaalsContact C-N 3.3Å; D643-N645 PolarHBondContact O-N 3.05Å; D643-E646 PolarHBondContact O-N 3.31Å; D643-E646 VanDerWaalsContact O-N 3.15Å; D643-V647 WeakPolarHBondContact O-CG2 3.47Å; D643-V647 PolarHBondContact O-N 3.26Å |
| 644 | L | 64.3 | Low | 68.4 | Low | 73 Ų | 73 | 95.8 Ų | 95.8 | 38% | 0.382 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.4 | -38.1 | 176.4 | -177 | 61.6 | 0 | 0 | 0 | 112 | M640 A642 I648 | M640-L644 WeakPolarHBondContact O-CB 3.27Å; M640-L644 PolarHBondContact O-N 2.89Å; A642-L644 PolarHBondContact O-N 3.36Å; L644-I648 HydrophobicContact CD1-CD1 4.21Å; L644-I648 HydrophobicContact CG-CD1 3.98Å; L644-I648 VanDerWaalsContact O-CB 3.32Å; L644-I648 WeakPolarHBondContact O-CB 3.2Å; L644-I648 WeakPolarHBondContact O-CD1 3.16Å; L644-I648 WeakPolarHBondContact O-CG1 3.28Å; L644-I648 PolarHBondContact O-N 3.46Å |
| 645 | N | 69.8 | Low | 69.7 | Low | 92 Ų | 92 | 95.1 Ų | 95.1 | 49% | 0.492 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -70.2 | -34.4 | 174.7 | -82.4 | -77.7 | 0 | 0 | 0 | 112.5 | K641 A642 D643 I648 A649 | K641-N645 PolarHBondContact O-N 2.97Å; K641-N645 VanDerWaalsContact O-N 3.13Å; K641-N645 PolarHBondContact O-ND2 2.97Å; A642-N645 CarbonylContact O-C 3.53Å; A642-N645 WeakPolarHBondContact O-CA 3.45Å; A642-N645 PolarHBondContact O-N 3.48Å; D643-N645 VanDerWaalsContact C-N 3.3Å; D643-N645 PolarHBondContact O-N 3.05Å; N645-I648 PolarHBondContact O-N 2.82Å; N645-A649 WeakPolarHBondContact O-CB 3.44Å; N645-A649 PolarHBondContact O-N 3.4Å |
| 646 | E | 77.7 | Confident | 70.7 | Confident | 148 Ų | 148 | 95.2 Ų | 95.2 | 69% | 0.692 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -68.3 | -42.5 | 173.8 | -173.1 | 166.8 | 164.9 | 0 | 0 | 111.5 | A642 D643 I648 A649 G650 | A642-E646 PolarHBondContact O-N 3.48Å; D643-E646 PolarHBondContact O-N 3.31Å; D643-E646 VanDerWaalsContact O-N 3.15Å; E646-I648 PolarHBondContact O-N 3.5Å; E646-A649 PolarHBondContact O-N 3.3Å; E646-G650 PolarHBondContact O-N 3.41Å |
| 647 | V | 72.7 | Confident | 71.9 | Confident | 74 Ų | 74 | 95.6 Ų | 95.6 | 45% | 0.448 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.9 | -45.6 | 172.3 | 171.4 | 0 | 0 | 0 | 0 | 110.9 | D643 A649 G650 Q651 M728 | D643-V647 WeakPolarHBondContact O-CG2 3.47Å; D643-V647 PolarHBondContact O-N 3.26Å; V647-A649 VanDerWaalsContact C-N 3.33Å; V647-A649 PolarHBondContact O-N 2.88Å; V647-G650 PolarHBondContact O-N 3.27Å; V647-Q651 WeakPolarHBondContact O-CB 3.3Å; V647-Q651 WeakPolarHBondContact O-CG 3.46Å; V647-Q651 PolarHBondContact O-N 2.81Å; V647-M728 HydrophobicContact CG1-CE 4.29Å |
| 648 | I | 72.2 | Confident | 73.2 | Confident | 35 Ų | 35 | 90.3 Ų | 90.3 | 18% | 0.179 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -63.2 | -37.6 | 176.4 | -74.7 | 168.5 | 0 | 0 | 0 | 111.5 | L644 N645 E646 Q652 M728 | L644-I648 HydrophobicContact CD1-CD1 4.21Å; L644-I648 HydrophobicContact CG-CD1 3.98Å; L644-I648 VanDerWaalsContact O-CB 3.32Å; L644-I648 WeakPolarHBondContact O-CB 3.2Å; L644-I648 WeakPolarHBondContact O-CD1 3.16Å; L644-I648 WeakPolarHBondContact O-CG1 3.28Å; L644-I648 PolarHBondContact O-N 3.46Å; N645-I648 PolarHBondContact O-N 2.82Å; E646-I648 PolarHBondContact O-N 3.5Å; I648-Q652 WeakPolarHBondContact O-CB 3.32Å; I648-Q652 VanDerWaalsContact O-CG 3.28Å; I648-Q652 WeakPolarHBondContact O-CG 3.32Å; I648-Q652 PolarHBondContact O-N 2.74Å; I648-M728 HydrophobicContact CG1-CE 4.09Å |
| 649 | A | 74.5 | Confident | 74 | Confident | 54 Ų | 54 | 86.3 Ų | 86.3 | 45% | 0.446 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -68.5 | -44.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | N645 E646 V647 Q651 Q652 Q653 | N645-A649 WeakPolarHBondContact O-CB 3.44Å; N645-A649 PolarHBondContact O-N 3.4Å; E646-A649 PolarHBondContact O-N 3.3Å; V647-A649 VanDerWaalsContact C-N 3.33Å; V647-A649 PolarHBondContact O-N 2.88Å; A649-Q651 PolarHBondContact O-N 3.18Å; A649-Q652 PolarHBondContact O-N 3.36Å; A649-Q653 PolarHBondContact O-N 3.11Å |
| 650 | G | 77.6 | Confident | 75 | Confident | 40 Ų | 40 | 87.8 Ų | 87.8 | 41% | 0.412 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -62.5 | -39.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E646 V647 Q653 R654 | E646-G650 PolarHBondContact O-N 3.41Å; V647-G650 PolarHBondContact O-N 3.27Å; G650-Q653 PolarHBondContact O-N 2.84Å; G650-R654 WeakPolarHBondContact O-CB 3.35Å; G650-R654 PolarHBondContact O-N 3.16Å |
| 651 | Q | 73 | Confident | 76.1 | Confident | 57 Ų | 57 | 83.4 Ų | 83.4 | 27% | 0.266 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66.6 | -40 | 172.6 | -72.4 | -175 | 10.5 | 0 | 0 | 112.4 | V647 A649 R654 L655 I725 M728 | V647-Q651 WeakPolarHBondContact O-CB 3.3Å; V647-Q651 WeakPolarHBondContact O-CG 3.46Å; V647-Q651 PolarHBondContact O-N 2.81Å; A649-Q651 PolarHBondContact O-N 3.18Å; Q651-R654 PolarHBondContact O-N 2.94Å; Q651-L655 WeakPolarHBondContact O-CB 3.07Å; Q651-L655 PolarHBondContact O-N 2.84Å; Q651-I725 HydrophobicContact CB-CD1 4.04Å; Q651-I725 HydrophobicContact CB-CG1 4.09Å; Q651-M728 VanDerWaalsContact NE2-CE 3.32Å; Q651-M728 PolarHBondContact NE2-SD 2.9Å; Q651-M728 VanDerWaalsContact NE2-SD 3.39Å |
| 652 | Q | 74.6 | Confident | 77.3 | Confident | 86 Ų | 86 | 79.8 Ų | 79.8 | 40% | 0.402 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.7 | -40.6 | 174.2 | -76.2 | 174.9 | 49.8 | 0 | 0 | 112.4 | I648 A649 L655 L656 | I648-Q652 WeakPolarHBondContact O-CB 3.32Å; I648-Q652 VanDerWaalsContact O-CG 3.28Å; I648-Q652 WeakPolarHBondContact O-CG 3.32Å; I648-Q652 PolarHBondContact O-N 2.74Å; A649-Q652 PolarHBondContact O-N 3.36Å; Q652-L655 PolarHBondContact O-N 3.5Å; Q652-L656 WeakPolarHBondContact O-CG 3.17Å; Q652-L656 PolarHBondContact O-N 3.37Å |
| 653 | Q | 81.7 | Confident | 78.1 | Confident | 117 Ų | 117 | 79.7 Ų | 79.7 | 55% | 0.547 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.5 | -47.4 | 173 | -174.4 | -175 | -41 | 0 | 0 | 111.1 | A649 G650 L655 L656 E657 | A649-Q653 PolarHBondContact O-N 3.11Å; G650-Q653 PolarHBondContact O-N 2.84Å; Q653-L655 VanDerWaalsContact C-N 3.26Å; Q653-L655 PolarHBondContact O-N 3.23Å; Q653-L656 WeakPolarHBondContact O-CA 3.35Å; Q653-L656 WeakPolarHBondContact O-CB 3.24Å; Q653-L656 PolarHBondContact O-N 3.08Å; Q653-E657 WeakPolarHBondContact CG-OE1 3.33Å; Q653-E657 PolarHBondContact NE2-OE1 2.75Å; Q653-E657 WeakPolarHBondContact O-CG 3.33Å; Q653-E657 PolarHBondContact O-N 3.32Å |
| 654 | R | 76.5 | Confident | 79.2 | Confident | 178 Ų | 178 | 79.9 Ų | 79.9 | 67% | 0.672 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -62.1 | -33.3 | 178.4 | -165.7 | 173.7 | -173.5 | 173.6 | 1.1 | 112.7 | G650 Q651 E657 L658 | G650-R654 WeakPolarHBondContact O-CB 3.35Å; G650-R654 PolarHBondContact O-N 3.16Å; Q651-R654 PolarHBondContact O-N 2.94Å; R654-E657 PolarHBondContact O-N 3.38Å; R654-L658 WeakPolarHBondContact O-CB 3.36Å; R654-L658 WeakPolarHBondContact O-CG 3.4Å; R654-L658 PolarHBondContact O-N 3.47Å |
| 655 | L | 79.9 | Confident | 80.1 | Confident | 38 Ų | 38 | 77.6 Ų | 77.6 | 20% | 0.199 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -68.2 | -37.6 | 172.5 | -176.8 | 151.9 | 0 | 0 | 0 | 112 | Q651 Q652 Q653 L658 S659 Q722 I725 | Q651-L655 WeakPolarHBondContact O-CB 3.07Å; Q651-L655 PolarHBondContact O-N 2.84Å; Q652-L655 PolarHBondContact O-N 3.5Å; Q653-L655 VanDerWaalsContact C-N 3.26Å; Q653-L655 PolarHBondContact O-N 3.23Å; L655-L658 PolarHBondContact O-N 2.95Å; L655-S659 VanDerWaalsContact O-CB 3.24Å; L655-S659 WeakPolarHBondContact O-CB 3.31Å; L655-S659 PolarHBondContact O-N 3.37Å; L655-Q722 HydrophobicContact CD1-CG 3.69Å; L655-I725 HydrophobicContact CB-CD1 4.27Å; L655-I725 HydrophobicContact CD1-CD1 3.69Å |
| 656 | L | 83.8 | Confident | 81 | Confident | 119 Ų | 119 | 77.3 Ų | 77.3 | 62% | 0.623 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -64.9 | -39.8 | 172.8 | -69.9 | 168 | 0 | 0 | 0 | 111.7 | Q652 Q653 S659 H660 | Q652-L656 WeakPolarHBondContact O-CG 3.17Å; Q652-L656 PolarHBondContact O-N 3.37Å; Q653-L656 WeakPolarHBondContact O-CA 3.35Å; Q653-L656 WeakPolarHBondContact O-CB 3.24Å; Q653-L656 PolarHBondContact O-N 3.08Å; L656-S659 PolarHBondContact O-N 2.75Å; L656-H660 WeakPolarHBondContact O-CB 3.43Å; L656-H660 PolarHBondContact O-N 3.03Å |
| 657 | E | 84.1 | Confident | 81.5 | Confident | 104 Ų | 104 | 73.9 Ų | 73.9 | 49% | 0.486 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -66.1 | -41.1 | 175.4 | -68.3 | 167.1 | -172.4 | 0 | 0 | 112.3 | Q653 R654 H660 S661 | Q653-E657 WeakPolarHBondContact CG-OE1 3.33Å; Q653-E657 PolarHBondContact NE2-OE1 2.75Å; Q653-E657 WeakPolarHBondContact O-CG 3.33Å; Q653-E657 PolarHBondContact O-N 3.32Å; R654-E657 PolarHBondContact O-N 3.38Å; E657-H660 PolarHBondContact O-N 3.26Å; E657-S661 PolarHBondContact O-N 3.16Å; E657-S661 PolarHBondContact O-OG 3.39Å |
| 658 | L | 82.6 | Confident | 82.2 | Confident | 38 Ų | 38 | 74.5 Ų | 74.5 | 20% | 0.199 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.1 | -39.4 | 172.3 | -73 | 170 | 0 | 0 | 0 | 112.1 | R654 L655 S661 Y662 K717 A721 | R654-L658 WeakPolarHBondContact O-CB 3.36Å; R654-L658 WeakPolarHBondContact O-CG 3.4Å; R654-L658 PolarHBondContact O-N 3.47Å; L655-L658 PolarHBondContact O-N 2.95Å; L658-S661 WeakPolarHBondContact CA-OG 3.36Å; L658-S661 PolarHBondContact O-OG 3.48Å; L658-Y662 VanDerWaalsContact O-CB 3.26Å; L658-Y662 WeakPolarHBondContact O-CB 3.3Å; L658-Y662 PolarHBondContact O-N 3.39Å; L658-K717 HydrophobicContact CD2-CB 4.25Å; L658-A721 HydrophobicContact CD1-CB 3.96Å |
| 659 | S | 84.1 | Confident | 82.9 | Confident | 52 Ų | 52 | 73.4 Ų | 73.4 | 36% | 0.364 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.1 | -39.3 | 174.7 | -172.8 | 0 | 0 | 0 | 0 | 112 | L655 L656 S663 | L655-S659 VanDerWaalsContact O-CB 3.24Å; L655-S659 WeakPolarHBondContact O-CB 3.31Å; L655-S659 PolarHBondContact O-N 3.37Å; L656-S659 PolarHBondContact O-N 2.75Å; S659-S663 WeakPolarHBondContact O-CB 3.4Å; S659-S663 PolarHBondContact O-N 2.83Å |
| 660 | H | 87.7 | Confident | 83.6 | Confident | 128 Ų | 128 | 75.7 Ų | 75.7 | 59% | 0.593 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -67 | -49.5 | 176.7 | -171.2 | 33.5 | 0 | 0 | 0 | 111.7 | L656 E657 Y662 S663 E664 | L656-H660 WeakPolarHBondContact O-CB 3.43Å; L656-H660 PolarHBondContact O-N 3.03Å; E657-H660 PolarHBondContact O-N 3.26Å; H660-Y662 VanDerWaalsContact C-N 3.32Å; H660-Y662 PolarHBondContact O-N 2.93Å; H660-S663 WeakPolarHBondContact O-CB 3.46Å; H660-S663 PolarHBondContact O-N 3.48Å; H660-S663 PolarHBondContact O-OG 2.86Å; H660-E664 PolarHBondContact O-N 3.28Å |
| 661 | S | 82.6 | Confident | 84.1 | Confident | 43 Ų | 43 | 76 Ų | 76 | 30% | 0.301 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.8 | -32.5 | 177.3 | 51.1 | 0 | 0 | 0 | 0 | 113.3 | E657 L658 E664 T665 | E657-S661 PolarHBondContact O-N 3.16Å; E657-S661 PolarHBondContact O-OG 3.39Å; L658-S661 WeakPolarHBondContact CA-OG 3.36Å; L658-S661 PolarHBondContact O-OG 3.48Å; S661-E664 PolarHBondContact O-N 3.47Å; S661-T665 WeakPolarHBondContact O-CG2 3.47Å; S661-T665 PolarHBondContact O-N 2.92Å; S661-T665 PolarHBondContact O-OG1 2.96Å |
| 662 | Y | 87.5 | Confident | 84.6 | Confident | 46 Ų | 46 | 73.4 Ų | 73.4 | 18% | 0.18 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.9 | -49.5 | 166.1 | 171.7 | -116.9 | 0 | 0 | 0 | 112.1 | L658 H660 E664 T665 K666 L711 E715 L718 | L658-Y662 VanDerWaalsContact O-CB 3.26Å; L658-Y662 WeakPolarHBondContact O-CB 3.3Å; L658-Y662 PolarHBondContact O-N 3.39Å; H660-Y662 VanDerWaalsContact C-N 3.32Å; H660-Y662 PolarHBondContact O-N 2.93Å; Y662-E664 VanDerWaalsContact C-N 3.25Å; Y662-E664 PolarHBondContact O-N 3.41Å; Y662-T665 PolarHBondContact O-N 3.08Å; Y662-T665 PolarHBondContact O-OG1 3.37Å; Y662-T665 VanDerWaalsContact O-OG1 3.08Å; Y662-K666 HydrophobicContact CE1-CD 4.22Å; Y662-K666 HydrophobicContact CE2-CD 4.23Å; Y662-K666 VanDerWaalsContact O-CB 3.25Å; Y662-K666 WeakPolarHBondContact O-CB 3.48Å; Y662-K666 PolarHBondContact O-N 2.91Å; Y662-K666 PolarHBondContact OH-NZ 3.01Å; Y662-L711 HydrophobicContact CD2-CD1 3.52Å; Y662-L711 HydrophobicContact CD2-CG 4.49Å; Y662-L711 HydrophobicContact CE2-CD1 3.39Å; Y662-L711 HydrophobicContact CE2-CG 4.05Å; Y662-E715 HydrophobicContact CD2-CG 3.67Å; Y662-E715 HydrophobicContact CE2-CB 4.48Å; Y662-E715 HydrophobicContact CE2-CG 3.1Å; Y662-E715 WeakPolarHBondContact CE2-OE1 3.26Å; Y662-E715 VanDerWaalsContact CZ-OE1 3.24Å; Y662-E715 PolarHBondContact OH-OE1 3.32Å; Y662-L718 HydrophobicContact CD1-CD1 4.35Å; Y662-L718 HydrophobicContact CG-CD1 4.43Å |
| 663 | S | 86.6 | Confident | 85 | Confident | 53 Ų | 53 | 73 Ų | 73 | 37% | 0.371 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.8 | -33.6 | 178.8 | 76.5 | 0 | 0 | 0 | 0 | 112.9 | S659 H660 S667 | S659-S663 WeakPolarHBondContact O-CB 3.4Å; S659-S663 PolarHBondContact O-N 2.83Å; H660-S663 WeakPolarHBondContact O-CB 3.46Å; H660-S663 PolarHBondContact O-N 3.48Å; H660-S663 PolarHBondContact O-OG 2.86Å; S663-S667 WeakPolarHBondContact O-CB 3.49Å; S663-S667 PolarHBondContact O-N 2.88Å; S663-S667 VanDerWaalsContact O-N 3.1Å; S663-S667 PolarHBondContact O-OG 2.96Å |
| 664 | E | 89.1 | Confident | 85.3 | Confident | 102 Ų | 102 | 73.4 Ų | 73.4 | 48% | 0.477 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -73.1 | -53 | 178.4 | -164.3 | -171.2 | 169.8 | 0 | 0 | 111.4 | H660 S661 Y662 K666 S667 Q668 | H660-E664 PolarHBondContact O-N 3.28Å; S661-E664 PolarHBondContact O-N 3.47Å; Y662-E664 VanDerWaalsContact C-N 3.25Å; Y662-E664 PolarHBondContact O-N 3.41Å; E664-K666 PolarHBondContact O-N 3.16Å; E664-S667 WeakPolarHBondContact O-CA 3.39Å; E664-S667 WeakPolarHBondContact O-CB 3.39Å; E664-S667 PolarHBondContact O-N 3.5Å; E664-Q668 WeakPolarHBondContact O-CG 3.45Å; E664-Q668 PolarHBondContact O-N 2.68Å; E664-Q668 PolarHBondContact OE1-NE2 2.99Å |
| 665 | T | 83.6 | Confident | 85.6 | Confident | 25 Ų | 25 | 69.1 Ų | 69.1 | 15% | 0.153 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -56.9 | -39 | 176.4 | 46.6 | 0 | 0 | 0 | 0 | 111.8 | S661 Y662 S667 Q668 L669 T714 | S661-T665 WeakPolarHBondContact O-CG2 3.47Å; S661-T665 PolarHBondContact O-N 2.92Å; S661-T665 PolarHBondContact O-OG1 2.96Å; Y662-T665 PolarHBondContact O-N 3.08Å; Y662-T665 PolarHBondContact O-OG1 3.37Å; Y662-T665 VanDerWaalsContact O-OG1 3.08Å; T665-S667 PolarHBondContact O-N 2.99Å; T665-Q668 PolarHBondContact O-N 3.33Å; T665-L669 WeakPolarHBondContact O-CB 3.42Å; T665-L669 PolarHBondContact O-N 2.92Å; T665-T714 PolarHBondContact OG1-OG1 2.8Å |
| 666 | K | 88.1 | Confident | 85.8 | Confident | 87 Ų | 87 | 68.1 Ų | 68.1 | 38% | 0.378 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.7 | -40.8 | 173.6 | -162.6 | 167.5 | -168.2 | 164 | 0 | 112.8 | Y662 E664 L669 I670 L711 | Y662-K666 HydrophobicContact CE1-CD 4.22Å; Y662-K666 HydrophobicContact CE2-CD 4.23Å; Y662-K666 VanDerWaalsContact O-CB 3.25Å; Y662-K666 WeakPolarHBondContact O-CB 3.48Å; Y662-K666 PolarHBondContact O-N 2.91Å; Y662-K666 PolarHBondContact OH-NZ 3.01Å; E664-K666 PolarHBondContact O-N 3.16Å; K666-L669 PolarHBondContact O-N 3.16Å; K666-I670 HydrophobicContact CG-CD1 4.35Å; K666-I670 WeakPolarHBondContact O-CD1 3.45Å; K666-I670 VanDerWaalsContact O-CG1 3.3Å; K666-I670 WeakPolarHBondContact O-CG1 3.5Å; K666-I670 PolarHBondContact O-N 2.97Å; K666-L711 HydrophobicContact CB-CD1 3.77Å; K666-L711 HydrophobicContact CB-CD2 4.5Å; K666-L711 HydrophobicContact CG-CD1 4.34Å; K666-L711 HydrophobicContact CG-CD2 4.28Å |
| 667 | S | 88.9 | Confident | 85.6 | Confident | 76 Ų | 76 | 65.2 Ų | 65.2 | 53% | 0.531 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -69.5 | -41 | 178.1 | -60 | 0 | 0 | 0 | 0 | 111.8 | S663 E664 T665 I670 A671 | S663-S667 WeakPolarHBondContact O-CB 3.49Å; S663-S667 PolarHBondContact O-N 2.88Å; S663-S667 VanDerWaalsContact O-N 3.1Å; S663-S667 PolarHBondContact O-OG 2.96Å; E664-S667 WeakPolarHBondContact O-CA 3.39Å; E664-S667 WeakPolarHBondContact O-CB 3.39Å; E664-S667 PolarHBondContact O-N 3.5Å; T665-S667 PolarHBondContact O-N 2.99Å; S667-I670 PolarHBondContact O-N 3.3Å; S667-A671 PolarHBondContact O-N 3.09Å |
| 668 | Q | 87.8 | Confident | 85.5 | Confident | 87 Ų | 87 | 65.3 Ų | 65.3 | 41% | 0.407 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.4 | -40.3 | 174.2 | -66.6 | 179.3 | 17 | 0 | 0 | 111.6 | E664 T665 A671 A672 L707 | E664-Q668 WeakPolarHBondContact O-CG 3.45Å; E664-Q668 PolarHBondContact O-N 2.68Å; E664-Q668 PolarHBondContact OE1-NE2 2.99Å; T665-Q668 PolarHBondContact O-N 3.33Å; Q668-A671 PolarHBondContact O-N 3.4Å; Q668-A672 WeakPolarHBondContact O-CB 3.42Å; Q668-A672 PolarHBondContact O-N 2.87Å; Q668-L707 HydrophobicContact CB-CD2 4.26Å |
| 669 | L | 87.5 | Confident | 85.2 | Confident | 12 Ų | 12 | 64.9 Ų | 64.9 | 6% | 0.063 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.6 | -47.7 | 174.1 | 176.5 | 60.5 | 0 | 0 | 0 | 112.1 | T665 K666 A671 A672 Q673 V704 L707 Q708 L711 | T665-L669 WeakPolarHBondContact O-CB 3.42Å; T665-L669 PolarHBondContact O-N 2.92Å; K666-L669 PolarHBondContact O-N 3.16Å; L669-A671 VanDerWaalsContact C-N 3.29Å; L669-A671 PolarHBondContact O-N 2.83Å; L669-A672 PolarHBondContact O-N 2.94Å; L669-Q673 HydrophobicContact CD1-CG 3.99Å; L669-Q673 HydrophobicContact CG-CG 4.4Å; L669-Q673 WeakPolarHBondContact O-CB 3.26Å; L669-Q673 WeakPolarHBondContact O-CG 3.32Å; L669-Q673 PolarHBondContact O-N 3.1Å; L669-V704 HydrophobicContact CD1-CG1 4Å; L669-V704 WeakPolarHBondContact CD1-O 3.38Å; L669-L707 HydrophobicContact CB-CB 4.13Å; L669-L707 HydrophobicContact CD1-CB 3.77Å; L669-Q708 HydrophobicContact CD1-CG 3.78Å; L669-Q708 HydrophobicContact CD2-CG 3.79Å; L669-Q708 HydrophobicContact CG-CG 4.46Å; L669-L711 HydrophobicContact CD2-CD2 3.6Å |
| 670 | I | 88 | Confident | 84.7 | Confident | 101 Ų | 101 | 69.6 Ų | 69.6 | 52% | 0.518 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.1 | -38.8 | 178.9 | -69.2 | 164.7 | 0 | 0 | 0 | 110.8 | K666 S667 K674 | K666-I670 HydrophobicContact CG-CD1 4.35Å; K666-I670 WeakPolarHBondContact O-CD1 3.45Å; K666-I670 VanDerWaalsContact O-CG1 3.3Å; K666-I670 WeakPolarHBondContact O-CG1 3.5Å; K666-I670 PolarHBondContact O-N 2.97Å; S667-I670 PolarHBondContact O-N 3.3Å; I670-K674 WeakPolarHBondContact O-CB 3.37Å; I670-K674 PolarHBondContact O-N 3.21Å |
| 671 | A | 87.9 | Confident | 83.8 | Confident | 48 Ų | 48 | 66.9 Ų | 66.9 | 40% | 0.397 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.1 | -49.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S667 Q668 L669 Q673 K674 E675 | S667-A671 PolarHBondContact O-N 3.09Å; Q668-A671 PolarHBondContact O-N 3.4Å; L669-A671 VanDerWaalsContact C-N 3.29Å; L669-A671 PolarHBondContact O-N 2.83Å; A671-Q673 PolarHBondContact O-N 3.21Å; A671-K674 WeakPolarHBondContact O-CB 3.49Å; A671-K674 PolarHBondContact O-N 3.05Å; A671-K674 VanDerWaalsContact O-N 3.1Å; A671-E675 WeakPolarHBondContact O-CG 3.45Å; A671-E675 PolarHBondContact O-N 2.91Å |
| 672 | A | 83.3 | Confident | 82.9 | Confident | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.008 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.9 | -37.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q668 L669 K674 E675 L676 V704 L707 | Q668-A672 WeakPolarHBondContact O-CB 3.42Å; Q668-A672 PolarHBondContact O-N 2.87Å; L669-A672 PolarHBondContact O-N 2.94Å; A672-K674 VanDerWaalsContact C-N 3.31Å; A672-K674 PolarHBondContact O-N 3.09Å; A672-E675 PolarHBondContact O-N 3.03Å; A672-L676 VanDerWaalsContact O-CB 3.31Å; A672-L676 WeakPolarHBondContact O-CB 3.32Å; A672-L676 PolarHBondContact O-N 2.74Å; A672-V704 HydrophobicContact CB-CG2 3.78Å; A672-L707 HydrophobicContact CB-CD1 3.73Å |
| 673 | Q | 84.7 | Confident | 81.1 | Confident | 78 Ų | 78 | 79.8 Ų | 79.8 | 36% | 0.364 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65 | -35.3 | 173 | -75.2 | 178.5 | -10.5 | 0 | 0 | 112.1 | L669 A671 A677 V704 | L669-Q673 HydrophobicContact CD1-CG 3.99Å; L669-Q673 HydrophobicContact CG-CG 4.4Å; L669-Q673 WeakPolarHBondContact O-CB 3.26Å; L669-Q673 WeakPolarHBondContact O-CG 3.32Å; L669-Q673 PolarHBondContact O-N 3.1Å; A671-Q673 PolarHBondContact O-N 3.21Å; Q673-A677 WeakPolarHBondContact O-CB 3.48Å; Q673-A677 PolarHBondContact O-N 3.01Å; Q673-V704 HydrophobicContact CG-CG1 3.77Å; Q673-V704 HydrophobicContact CG-CG2 3.98Å |
| 674 | K | 87 | Confident | 79.3 | Confident | 125 Ų | 125 | 82.6 Ų | 82.6 | 54% | 0.543 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -70 | -45.7 | 174.1 | -170.8 | -169.6 | 165.4 | -156.2 | 0 | 111.6 | I670 A671 A672 L676 A677 E678 | I670-K674 WeakPolarHBondContact O-CB 3.37Å; I670-K674 PolarHBondContact O-N 3.21Å; A671-K674 WeakPolarHBondContact O-CB 3.49Å; A671-K674 PolarHBondContact O-N 3.05Å; A671-K674 VanDerWaalsContact O-N 3.1Å; A672-K674 VanDerWaalsContact C-N 3.31Å; A672-K674 PolarHBondContact O-N 3.09Å; K674-L676 VanDerWaalsContact C-N 3.29Å; K674-L676 PolarHBondContact O-N 3.49Å; K674-A677 PolarHBondContact O-N 3.08Å; K674-A677 VanDerWaalsContact O-N 3.11Å; K674-E678 WeakPolarHBondContact CE-OE1 3.31Å; K674-E678 IonicContact NZ-OE1 3.95Å; K674-E678 PolarHBondContact NZ-OE1 3.2Å; K674-E678 PolarHBondContact O-N 3.36Å |
| 675 | E | 83.3 | Confident | 77.1 | Confident | 88 Ų | 88 | 82.8 Ų | 82.8 | 41% | 0.411 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -55.1 | -44.7 | 173 | -70.9 | 172.2 | 171.2 | 0 | 0 | 111.1 | A671 A672 E678 A679 L700 K703 | A671-E675 WeakPolarHBondContact O-CG 3.45Å; A671-E675 PolarHBondContact O-N 2.91Å; A672-E675 PolarHBondContact O-N 3.03Å; E675-E678 PolarHBondContact O-N 3.02Å; E675-A679 VanDerWaalsContact O-CB 3.28Å; E675-A679 WeakPolarHBondContact O-CB 3.22Å; E675-A679 PolarHBondContact O-N 2.92Å; E675-L700 HydrophobicContact CB-CD2 4.39Å; E675-K703 IonicContact OE2-NZ 3.82Å; E675-K703 PolarHBondContact OE2-NZ 3.43Å |
| 676 | L | 83.8 | Confident | 75.2 | Confident | 17 Ų | 17 | 86.1 Ų | 86.1 | 9% | 0.089 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -62.8 | -39.5 | 175.6 | -178.1 | 68.6 | 0 | 0 | 0 | 112.6 | A672 K674 R680 V697 L700 V704 | A672-L676 VanDerWaalsContact O-CB 3.31Å; A672-L676 WeakPolarHBondContact O-CB 3.32Å; A672-L676 PolarHBondContact O-N 2.74Å; K674-L676 VanDerWaalsContact C-N 3.29Å; K674-L676 PolarHBondContact O-N 3.49Å; L676-R680 WeakPolarHBondContact O-CB 3.31Å; L676-R680 VanDerWaalsContact O-CG 3.23Å; L676-R680 WeakPolarHBondContact O-CG 3.4Å; L676-R680 PolarHBondContact O-N 3.24Å; L676-R680 VanDerWaalsContact O-N 3.08Å; L676-V697 HydrophobicContact CD1-CG1 3.98Å; L676-V697 WeakPolarHBondContact CD1-O 3.44Å; L676-L700 HydrophobicContact CB-CB 4.33Å; L676-L700 HydrophobicContact CD1-CB 3.68Å; L676-V704 HydrophobicContact CD2-CG2 4.2Å |
| 677 | A | 80.4 | Confident | 73.4 | Confident | 58 Ų | 58 | 88 Ų | 88 | 48% | 0.479 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -70.7 | -40.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q673 K674 R680 A681 | Q673-A677 WeakPolarHBondContact O-CB 3.48Å; Q673-A677 PolarHBondContact O-N 3.01Å; K674-A677 PolarHBondContact O-N 3.08Å; K674-A677 VanDerWaalsContact O-N 3.11Å; A677-R680 PolarHBondContact O-N 2.99Å; A677-A681 WeakPolarHBondContact O-CB 3.47Å; A677-A681 PolarHBondContact O-N 3.42Å; A677-A681 VanDerWaalsContact O-N 3.14Å |
| 678 | E | 81.7 | Confident | 71.4 | Confident | 106 Ų | 106 | 88.7 Ų | 88.7 | 50% | 0.495 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.8 | -44.9 | 175.7 | -71.2 | 177 | 160.5 | 0 | 0 | 110.6 | K674 E675 R680 A681 E682 | K674-E678 WeakPolarHBondContact CE-OE1 3.31Å; K674-E678 IonicContact NZ-OE1 3.95Å; K674-E678 PolarHBondContact NZ-OE1 3.2Å; K674-E678 PolarHBondContact O-N 3.36Å; E675-E678 PolarHBondContact O-N 3.02Å; E678-R680 VanDerWaalsContact C-N 3.26Å; E678-R680 PolarHBondContact O-N 2.87Å; E678-A681 PolarHBondContact O-N 3.01Å; E678-E682 PolarHBondContact O-N 2.82Å |
| 679 | A | 75 | Confident | 69.6 | Low | 29 Ų | 29 | 90.7 Ų | 90.7 | 24% | 0.24 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -63.7 | -25.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | E675 V697 L700 | E675-A679 VanDerWaalsContact O-CB 3.28Å; E675-A679 WeakPolarHBondContact O-CB 3.22Å; E675-A679 PolarHBondContact O-N 2.92Å; A679-V697 HydrophobicContact CB-CG2 4.01Å; A679-L700 HydrophobicContact CB-CD1 4.04Å |
| 680 | R | 73.2 | Confident | 67.9 | Low | 152 Ų | 152 | 92.2 Ų | 92.2 | 57% | 0.574 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -11.8 | 171.9 | -74.6 | 175.2 | 180 | -177.1 | 4.3 | 113.7 | L676 A677 E678 V697 | L676-R680 WeakPolarHBondContact O-CB 3.31Å; L676-R680 VanDerWaalsContact O-CG 3.23Å; L676-R680 WeakPolarHBondContact O-CG 3.4Å; L676-R680 PolarHBondContact O-N 3.24Å; L676-R680 VanDerWaalsContact O-N 3.08Å; A677-R680 PolarHBondContact O-N 2.99Å; E678-R680 VanDerWaalsContact C-N 3.26Å; E678-R680 PolarHBondContact O-N 2.87Å; R680-V697 HydrophobicContact CG-CG1 3.73Å; R680-V697 HydrophobicContact CG-CG2 4.1Å |
| 681 | A | 70.4 | Confident | 66.2 | Low | 71 Ų | 71 | 92.6 Ų | 92.6 | 59% | 0.587 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -21.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | A677 E678 K683 | A677-A681 WeakPolarHBondContact O-CB 3.47Å; A677-A681 PolarHBondContact O-N 3.42Å; A677-A681 VanDerWaalsContact O-N 3.14Å; E678-A681 PolarHBondContact O-N 3.01Å; A681-K683 PolarHBondContact O-N 2.54Å |
| 682 | E | 62.3 | Low | 64.6 | Low | 168 Ų | 168 | 94 Ų | 94 | 79% | 0.785 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -65.2 | 125.6 | 173.6 | -64.8 | -156.9 | 143.7 | 0 | 0 | 111.3 | E678 | E678-E682 PolarHBondContact O-N 2.82Š|
| 683 | K | 50.4 | Low | 63.4 | Low | 192 Ų | 192 | 96.4 Ų | 96.4 | 84% | 0.835 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 128.7 | -179.7 | -69.2 | -175.6 | 178.6 | 179.9 | 0 | 110.7 | A681 S685 | A681-K683 PolarHBondContact O-N 2.54Å; K683-S685 PolarHBondContact O-N 3.12Å |
| 684 | P | 49.5 | Very low | 62.4 | Low | 111 Ų | 111 | 99 Ų | 99 | 72% | 0.721 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 117.1 | -177.4 | 26.9 | -34.1 | 0 | 0 | 0 | 111.3 | ||
| 685 | S | 41.2 | Very low | 61.8 | Low | 106 Ų | 106 | 98.6 Ų | 98.6 | 74% | 0.741 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 118.7 | 170.9 | 64.2 | 0 | 0 | 0 | 0 | 111 | K683 | K683-S685 PolarHBondContact O-N 3.12Š|
| 686 | A | 44.6 | Very low | 61.3 | Low | 95 Ų | 95 | 100 Ų | 100 | 79% | 0.785 | 59% | 0.585 | S | S | * | * | S | Bend | trans | 63.3 | 145.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 118 | A688 | A686-A688 PolarHBondContact O-N 3.21Å; A686-A688 VanDerWaalsContact O-N 3.1Å |
| 687 | S | 50.4 | Low | 61.1 | Low | 128 Ų | 128 | 100.5 Ų | 100.5 | 90% | 0.895 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 95.6 | -170.7 | 52.9 | 0 | 0 | 0 | 0 | 113.9 | ||
| 688 | A | 47.4 | Very low | 61.1 | Low | 90 Ų | 90 | 104.6 Ų | 104.6 | 74% | 0.744 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -167.1 | -36.3 | 153.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A686 | A686-A688 PolarHBondContact O-N 3.21Å; A686-A688 VanDerWaalsContact O-N 3.1Å |
| 689 | L | 49 | Very low | 61.1 | Low | 129 Ų | 129 | 105.2 Ų | 105.2 | 68% | 0.675 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -88.4 | -13.1 | -167.1 | -70.4 | 163.4 | 0 | 0 | 0 | 115.1 | V691 S692 S693 | L689-V691 VanDerWaalsContact C-N 3.32Å; L689-V691 PolarHBondContact O-N 3.16Å; L689-S692 WeakPolarHBondContact O-CA 3.28Å; L689-S692 WeakPolarHBondContact O-CB 3.47Å; L689-S692 PolarHBondContact O-N 2.88Å; L689-S693 PolarHBondContact O-N 2.57Å |
| 690 | A | 51.8 | Low | 61.5 | Low | 44 Ų | 44 | 105 Ų | 105 | 36% | 0.364 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -54.4 | -42 | -171.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | S692 S693 E694 | A690-S692 PolarHBondContact O-N 3.03Å; A690-S693 WeakPolarHBondContact CA-OG 3.47Å; A690-S693 PolarHBondContact O-N 3.26Å; A690-S693 PolarHBondContact O-OG 2.87Å; A690-E694 WeakPolarHBondContact O-CG 3.25Å; A690-E694 PolarHBondContact O-N 2.89Å |
| 691 | V | 53.5 | Low | 61.9 | Low | 109 Ų | 109 | 99.1 Ų | 99.1 | 66% | 0.661 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -63.7 | -31.3 | 178.7 | -175.9 | 0 | 0 | 0 | 0 | 111.7 | L689 H695 | L689-V691 VanDerWaalsContact C-N 3.32Å; L689-V691 PolarHBondContact O-N 3.16Å; V691-H695 WeakPolarHBondContact O-CB 3.47Å; V691-H695 PolarHBondContact O-N 2.66Å; V691-H695 VanDerWaalsContact O-N 3.09Å |
| 692 | S | 54 | Low | 62.5 | Low | 76 Ų | 76 | 98.3 Ų | 98.3 | 53% | 0.531 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -74.1 | -38.9 | 176.5 | -164.6 | 0 | 0 | 0 | 0 | 111.8 | L689 A690 Q696 | L689-S692 WeakPolarHBondContact O-CA 3.28Å; L689-S692 WeakPolarHBondContact O-CB 3.47Å; L689-S692 PolarHBondContact O-N 2.88Å; A690-S692 PolarHBondContact O-N 3.03Å; S692-Q696 WeakPolarHBondContact O-CB 3.44Å; S692-Q696 PolarHBondContact O-N 2.83Å |
| 693 | S | 57.8 | Low | 63.7 | Low | 53 Ų | 53 | 94.5 Ų | 94.5 | 37% | 0.371 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.1 | -38.8 | 174.4 | 43.5 | 0 | 0 | 0 | 0 | 112.2 | L689 A690 Q696 V697 | L689-S693 PolarHBondContact O-N 2.57Å; A690-S693 WeakPolarHBondContact CA-OG 3.47Å; A690-S693 PolarHBondContact O-N 3.26Å; A690-S693 PolarHBondContact O-OG 2.87Å; S693-Q696 PolarHBondContact O-N 3.41Å; S693-V697 WeakPolarHBondContact O-CG2 3.31Å; S693-V697 PolarHBondContact O-N 3.32Å |
| 694 | E | 63.3 | Low | 65.5 | Low | 133 Ų | 133 | 85.8 Ų | 85.8 | 62% | 0.621 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.4 | -47 | 175.7 | -73.2 | 173.8 | 159.6 | 0 | 0 | 111.3 | A690 Q696 V697 Q698 | A690-E694 WeakPolarHBondContact O-CG 3.25Å; A690-E694 PolarHBondContact O-N 2.89Å; E694-Q696 VanDerWaalsContact C-N 3.3Å; E694-Q696 PolarHBondContact O-N 2.9Å; E694-V697 PolarHBondContact O-N 2.81Å; E694-Q698 WeakPolarHBondContact O-CB 3.41Å; E694-Q698 PolarHBondContact O-N 3.38Å |
| 695 | H | 74.1 | Confident | 67.3 | Low | 116 Ų | 116 | 85.4 Ų | 85.4 | 54% | 0.537 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.2 | -36.3 | 174.9 | -169.1 | -40.6 | 0 | 0 | 0 | 112.2 | V691 Q698 M699 | V691-H695 WeakPolarHBondContact O-CB 3.47Å; V691-H695 PolarHBondContact O-N 2.66Å; V691-H695 VanDerWaalsContact O-N 3.09Å; H695-Q698 PolarHBondContact O-N 2.75Å; H695-M699 WeakPolarHBondContact ND1-CG 3.27Å; H695-M699 WeakPolarHBondContact O-CB 3.5Å; H695-M699 VanDerWaalsContact O-CG 3.29Å; H695-M699 WeakPolarHBondContact O-CG 3.41Å; H695-M699 PolarHBondContact O-N 2.93Å |
| 696 | Q | 74.3 | Confident | 69.5 | Low | 117 Ų | 117 | 85.5 Ų | 85.5 | 55% | 0.547 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -69 | -42 | 177 | -173.7 | 170.8 | -7.8 | 0 | 0 | 112 | S692 S693 E694 Q698 M699 L700 | S692-Q696 WeakPolarHBondContact O-CB 3.44Å; S692-Q696 PolarHBondContact O-N 2.83Å; S693-Q696 PolarHBondContact O-N 3.41Å; E694-Q696 VanDerWaalsContact C-N 3.3Å; E694-Q696 PolarHBondContact O-N 2.9Å; Q696-Q698 VanDerWaalsContact C-N 3.33Å; Q696-M699 PolarHBondContact O-N 3.44Å; Q696-L700 HydrophobicContact CG-CD1 4.31Å; Q696-L700 WeakPolarHBondContact O-CB 3.16Å; Q696-L700 WeakPolarHBondContact O-CG 3.41Å; Q696-L700 PolarHBondContact O-N 3.4Å |
| 697 | V | 79.3 | Confident | 71.5 | Confident | 28 Ų | 28 | 82 Ų | 82 | 17% | 0.17 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -65.2 | -36.1 | 173.8 | 170 | 0 | 0 | 0 | 0 | 111.5 | L676 A679 R680 S693 E694 L700 S701 | L676-V697 HydrophobicContact CD1-CG1 3.98Å; L676-V697 WeakPolarHBondContact CD1-O 3.44Å; A679-V697 HydrophobicContact CB-CG2 4.01Å; R680-V697 HydrophobicContact CG-CG1 3.73Å; R680-V697 HydrophobicContact CG-CG2 4.1Å; S693-V697 WeakPolarHBondContact O-CG2 3.31Å; S693-V697 PolarHBondContact O-N 3.32Å; E694-V697 PolarHBondContact O-N 2.81Å; V697-L700 PolarHBondContact O-N 3.33Å; V697-S701 PolarHBondContact O-N 2.86Å |
| 698 | Q | 79.4 | Confident | 73.3 | Confident | 144 Ų | 144 | 80.2 Ų | 80.2 | 67% | 0.673 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -68.5 | -43.8 | 176.5 | -168.3 | 172.5 | 10 | 0 | 0 | 112.1 | E694 H695 Q696 L700 S701 S702 | E694-Q698 WeakPolarHBondContact O-CB 3.41Å; E694-Q698 PolarHBondContact O-N 3.38Å; H695-Q698 PolarHBondContact O-N 2.75Å; Q696-Q698 VanDerWaalsContact C-N 3.33Å; Q698-L700 VanDerWaalsContact C-N 3.34Å; Q698-L700 PolarHBondContact O-N 3.31Å; Q698-S701 WeakPolarHBondContact O-CB 3.47Å; Q698-S701 PolarHBondContact O-N 3.12Å; Q698-S701 VanDerWaalsContact O-N 3.16Å; Q698-S702 PolarHBondContact O-N 2.82Å; Q698-S702 VanDerWaalsContact O-N 3.09Å |
| 699 | M | 81.4 | Confident | 75.1 | Confident | 119 Ų | 119 | 80.6 Ų | 80.6 | 59% | 0.586 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -60.4 | -41.4 | 173.4 | -74.9 | -69 | -63.1 | 0 | 0 | 112.2 | H695 Q696 S701 S702 K703 | H695-M699 WeakPolarHBondContact ND1-CG 3.27Å; H695-M699 WeakPolarHBondContact O-CB 3.5Å; H695-M699 VanDerWaalsContact O-CG 3.29Å; H695-M699 WeakPolarHBondContact O-CG 3.41Å; H695-M699 PolarHBondContact O-N 2.93Å; Q696-M699 PolarHBondContact O-N 3.44Å; M699-S701 VanDerWaalsContact C-N 3.32Å; M699-S702 PolarHBondContact O-N 3.3Å; M699-K703 PolarHBondContact O-N 2.95Å |
| 700 | L | 83.6 | Confident | 76.7 | Confident | 25 Ų | 25 | 76.3 Ų | 76.3 | 13% | 0.131 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -68.9 | -28.8 | 175.9 | -71.6 | 169.1 | 0 | 0 | 0 | 112.5 | E675 L676 A679 Q696 V697 Q698 K703 V704 | E675-L700 HydrophobicContact CB-CD2 4.39Å; L676-L700 HydrophobicContact CB-CB 4.33Å; L676-L700 HydrophobicContact CD1-CB 3.68Å; A679-L700 HydrophobicContact CB-CD1 4.04Å; Q696-L700 HydrophobicContact CG-CD1 4.31Å; Q696-L700 WeakPolarHBondContact O-CB 3.16Å; Q696-L700 WeakPolarHBondContact O-CG 3.41Å; Q696-L700 PolarHBondContact O-N 3.4Å; V697-L700 PolarHBondContact O-N 3.33Å; Q698-L700 VanDerWaalsContact C-N 3.34Å; Q698-L700 PolarHBondContact O-N 3.31Å; L700-K703 HydrophobicContact CD2-CD 4.4Å; L700-V704 WeakPolarHBondContact O-CB 3.48Å; L700-V704 VanDerWaalsContact O-CG2 3.32Å; L700-V704 WeakPolarHBondContact O-CG2 3.26Å; L700-V704 PolarHBondContact O-N 3.35Å |
| 701 | S | 81.6 | Confident | 78.4 | Confident | 28 Ų | 28 | 75 Ų | 75 | 20% | 0.196 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -65.9 | -50.8 | 172.1 | -152.2 | 0 | 0 | 0 | 0 | 111 | V697 Q698 M699 K703 V704 E705 | V697-S701 PolarHBondContact O-N 2.86Å; Q698-S701 WeakPolarHBondContact O-CB 3.47Å; Q698-S701 PolarHBondContact O-N 3.12Å; Q698-S701 VanDerWaalsContact O-N 3.16Å; M699-S701 VanDerWaalsContact C-N 3.32Å; S701-K703 VanDerWaalsContact C-N 3.32Å; S701-K703 PolarHBondContact O-N 2.97Å; S701-V704 WeakPolarHBondContact O-CA 3.31Å; S701-V704 WeakPolarHBondContact O-CB 3.31Å; S701-V704 PolarHBondContact O-N 3.29Å; S701-E705 WeakPolarHBondContact CB-OE1 3.42Å; S701-E705 WeakPolarHBondContact O-CG 3.48Å; S701-E705 PolarHBondContact O-N 3.49Å; S701-E705 PolarHBondContact OG-OE1 2.9Å |
| 702 | S | 84.8 | Confident | 79.9 | Confident | 54 Ų | 54 | 71.6 Ų | 71.6 | 38% | 0.378 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -53.6 | -49 | 175.4 | -164 | 0 | 0 | 0 | 0 | 111.3 | Q698 M699 V704 E705 E706 | Q698-S702 PolarHBondContact O-N 2.82Å; Q698-S702 VanDerWaalsContact O-N 3.09Å; M699-S702 PolarHBondContact O-N 3.3Å; S702-V704 VanDerWaalsContact C-N 3.29Å; S702-V704 PolarHBondContact O-N 3.5Å; S702-E705 PolarHBondContact O-N 3.32Å; S702-E705 VanDerWaalsContact O-N 3.09Å; S702-E706 VanDerWaalsContact C-OE1 3.28Å; S702-E706 WeakPolarHBondContact CB-OE1 3.41Å; S702-E706 WeakPolarHBondContact O-CB 3.39Å; S702-E706 VanDerWaalsContact O-CG 3.26Å; S702-E706 WeakPolarHBondContact O-CG 3.28Å; S702-E706 PolarHBondContact O-N 3.07Å; S702-E706 PolarHBondContact OG-OE1 2.91Å |
| 703 | K | 87.4 | Confident | 81.3 | Confident | 87 Ų | 87 | 72 Ų | 72 | 38% | 0.378 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59.2 | -36.1 | 176.6 | -172.9 | -171.4 | 170.7 | -163.4 | 0 | 112.9 | E675 M699 L700 S701 L707 | E675-K703 IonicContact OE2-NZ 3.82Å; E675-K703 PolarHBondContact OE2-NZ 3.43Å; M699-K703 PolarHBondContact O-N 2.95Å; L700-K703 HydrophobicContact CD2-CD 4.4Å; S701-K703 VanDerWaalsContact C-N 3.32Å; S701-K703 PolarHBondContact O-N 2.97Å; K703-L707 HydrophobicContact CG-CD1 4.19Å; K703-L707 VanDerWaalsContact O-CB 3.31Å; K703-L707 WeakPolarHBondContact O-CB 3.4Å; K703-L707 WeakPolarHBondContact O-CD1 3.36Å; K703-L707 VanDerWaalsContact O-CG 3.22Å; K703-L707 WeakPolarHBondContact O-CG 3.46Å; K703-L707 PolarHBondContact O-N 3.49Å |
| 704 | V | 88.1 | Confident | 82.5 | Confident | 9 Ų | 9 | 70.4 Ų | 70.4 | 6% | 0.055 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -71.1 | -38.4 | 175.4 | 163.1 | 0 | 0 | 0 | 0 | 111.5 | L669 A672 Q673 L676 L700 S701 S702 L707 Q708 | L669-V704 HydrophobicContact CD1-CG1 4Å; L669-V704 WeakPolarHBondContact CD1-O 3.38Å; A672-V704 HydrophobicContact CB-CG2 3.78Å; Q673-V704 HydrophobicContact CG-CG1 3.77Å; Q673-V704 HydrophobicContact CG-CG2 3.98Å; L676-V704 HydrophobicContact CD2-CG2 4.2Å; L700-V704 WeakPolarHBondContact O-CB 3.48Å; L700-V704 VanDerWaalsContact O-CG2 3.32Å; L700-V704 WeakPolarHBondContact O-CG2 3.26Å; L700-V704 PolarHBondContact O-N 3.35Å; S701-V704 WeakPolarHBondContact O-CA 3.31Å; S701-V704 WeakPolarHBondContact O-CB 3.31Å; S701-V704 PolarHBondContact O-N 3.29Å; S702-V704 VanDerWaalsContact C-N 3.29Å; S702-V704 PolarHBondContact O-N 3.5Å; V704-L707 PolarHBondContact O-N 3.29Å; V704-Q708 WeakPolarHBondContact O-CB 3.5Å; V704-Q708 VanDerWaalsContact O-CG 3.28Å; V704-Q708 WeakPolarHBondContact O-CG 3.19Å; V704-Q708 PolarHBondContact O-N 2.97Å |
| 705 | E | 86.1 | Confident | 83.5 | Confident | 103 Ų | 103 | 68 Ų | 68 | 48% | 0.481 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -70.3 | -39.4 | 177.8 | -68.2 | 157 | -132.7 | 0 | 0 | 111.3 | S701 S702 Q708 T709 | S701-E705 WeakPolarHBondContact CB-OE1 3.42Å; S701-E705 WeakPolarHBondContact O-CG 3.48Å; S701-E705 PolarHBondContact O-N 3.49Å; S701-E705 PolarHBondContact OG-OE1 2.9Å; S702-E705 PolarHBondContact O-N 3.32Å; S702-E705 VanDerWaalsContact O-N 3.09Å; E705-Q708 PolarHBondContact O-N 3.07Å; E705-T709 WeakPolarHBondContact O-CG2 3.05Å; E705-T709 PolarHBondContact O-N 3.33Å; E705-T709 PolarHBondContact O-OG1 3.32Å |
| 706 | E | 87.8 | Confident | 84 | Confident | 108 Ų | 108 | 69.5 Ų | 69.5 | 51% | 0.505 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.6 | -41.7 | 170 | -70 | 159.9 | -131.9 | 0 | 0 | 112 | S702 T709 S710 | S702-E706 VanDerWaalsContact C-OE1 3.28Å; S702-E706 WeakPolarHBondContact CB-OE1 3.41Å; S702-E706 WeakPolarHBondContact O-CB 3.39Å; S702-E706 VanDerWaalsContact O-CG 3.26Å; S702-E706 WeakPolarHBondContact O-CG 3.28Å; S702-E706 PolarHBondContact O-N 3.07Å; S702-E706 PolarHBondContact OG-OE1 2.91Å; E706-T709 WeakPolarHBondContact CA-OG1 3.38Å; E706-T709 PolarHBondContact O-OG1 2.94Å; E706-S710 WeakPolarHBondContact O-CB 3.49Å; E706-S710 PolarHBondContact O-N 3.41Å; E706-S710 VanDerWaalsContact O-N 3.09Å; E706-S710 PolarHBondContact O-OG 3.23Å |
| 707 | L | 87.1 | Confident | 84.4 | Confident | 22 Ų | 22 | 68.9 Ų | 68.9 | 12% | 0.115 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -72.3 | -27.5 | 175 | -74.3 | 169.6 | 0 | 0 | 0 | 113 | Q668 L669 A672 K703 V704 S710 L711 | Q668-L707 HydrophobicContact CB-CD2 4.26Å; L669-L707 HydrophobicContact CB-CB 4.13Å; L669-L707 HydrophobicContact CD1-CB 3.77Å; A672-L707 HydrophobicContact CB-CD1 3.73Å; K703-L707 HydrophobicContact CG-CD1 4.19Å; K703-L707 VanDerWaalsContact O-CB 3.31Å; K703-L707 WeakPolarHBondContact O-CB 3.4Å; K703-L707 WeakPolarHBondContact O-CD1 3.36Å; K703-L707 VanDerWaalsContact O-CG 3.22Å; K703-L707 WeakPolarHBondContact O-CG 3.46Å; K703-L707 PolarHBondContact O-N 3.49Å; V704-L707 PolarHBondContact O-N 3.29Å; L707-S710 WeakPolarHBondContact CA-OG 3.22Å; L707-S710 PolarHBondContact O-OG 2.8Å; L707-L711 WeakPolarHBondContact O-CB 3.46Å; L707-L711 PolarHBondContact O-N 3.47Å; L707-L711 VanDerWaalsContact O-N 3.08Å |
| 708 | Q | 86.8 | Confident | 84.6 | Confident | 91 Ų | 91 | 68.7 Ų | 68.7 | 43% | 0.425 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -72.2 | -43.9 | 172.7 | -80.3 | 171.3 | -18.6 | 0 | 0 | 112.4 | L669 V704 E705 L711 A712 | L669-Q708 HydrophobicContact CD1-CG 3.78Å; L669-Q708 HydrophobicContact CD2-CG 3.79Å; L669-Q708 HydrophobicContact CG-CG 4.46Å; V704-Q708 WeakPolarHBondContact O-CB 3.5Å; V704-Q708 VanDerWaalsContact O-CG 3.28Å; V704-Q708 WeakPolarHBondContact O-CG 3.19Å; V704-Q708 PolarHBondContact O-N 2.97Å; E705-Q708 PolarHBondContact O-N 3.07Å; Q708-L711 PolarHBondContact O-N 2.88Å; Q708-A712 WeakPolarHBondContact O-CB 3.32Å; Q708-A712 PolarHBondContact O-N 3.4Å |
| 709 | T | 85.5 | Confident | 84.8 | Confident | 97 Ų | 97 | 64.3 Ų | 64.3 | 60% | 0.595 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -67 | -42.9 | 179.3 | 46 | 0 | 0 | 0 | 0 | 112.1 | E705 E706 A712 E713 | E705-T709 WeakPolarHBondContact O-CG2 3.05Å; E705-T709 PolarHBondContact O-N 3.33Å; E705-T709 PolarHBondContact O-OG1 3.32Å; E706-T709 WeakPolarHBondContact CA-OG1 3.38Å; E706-T709 PolarHBondContact O-OG1 2.94Å; T709-A712 PolarHBondContact O-N 3.32Å; T709-E713 PolarHBondContact O-N 3.47Å; T709-E713 VanDerWaalsContact O-N 3.1Å |
| 710 | S | 83.1 | Confident | 84.9 | Confident | 40 Ų | 40 | 62 Ų | 62 | 28% | 0.28 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67.9 | -34.2 | 173.7 | 53.2 | 0 | 0 | 0 | 0 | 113.4 | E706 L707 E713 T714 | E706-S710 WeakPolarHBondContact O-CB 3.49Å; E706-S710 PolarHBondContact O-N 3.41Å; E706-S710 VanDerWaalsContact O-N 3.09Å; E706-S710 PolarHBondContact O-OG 3.23Å; L707-S710 WeakPolarHBondContact CA-OG 3.22Å; L707-S710 PolarHBondContact O-OG 2.8Å; S710-E713 WeakPolarHBondContact O-CB 3.42Å; S710-E713 PolarHBondContact O-N 2.93Å; S710-T714 PolarHBondContact O-N 3.24Å |
| 711 | L | 87.8 | Confident | 84.7 | Confident | 15 Ų | 15 | 61.9 Ų | 61.9 | 8% | 0.079 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63 | -46.2 | 171.2 | -174.6 | 68.4 | 0 | 0 | 0 | 111.9 | Y662 K666 L669 L707 Q708 E713 T714 E715 | Y662-L711 HydrophobicContact CD2-CD1 3.52Å; Y662-L711 HydrophobicContact CD2-CG 4.49Å; Y662-L711 HydrophobicContact CE2-CD1 3.39Å; Y662-L711 HydrophobicContact CE2-CG 4.05Å; K666-L711 HydrophobicContact CB-CD1 3.77Å; K666-L711 HydrophobicContact CB-CD2 4.5Å; K666-L711 HydrophobicContact CG-CD1 4.34Å; K666-L711 HydrophobicContact CG-CD2 4.28Å; L669-L711 HydrophobicContact CD2-CD2 3.6Å; L707-L711 WeakPolarHBondContact O-CB 3.46Å; L707-L711 PolarHBondContact O-N 3.47Å; L707-L711 VanDerWaalsContact O-N 3.08Å; Q708-L711 PolarHBondContact O-N 2.88Å; L711-E713 PolarHBondContact O-N 2.9Å; L711-T714 PolarHBondContact O-N 3.14Å; L711-T714 VanDerWaalsContact O-N 3.16Å; L711-T714 PolarHBondContact O-OG1 2.88Å; L711-E715 WeakPolarHBondContact O-CG 3.44Å; L711-E715 PolarHBondContact O-N 2.88Å |
| 712 | A | 85 | Confident | 84.5 | Confident | 39 Ų | 39 | 65.4 Ų | 65.4 | 32% | 0.322 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.3 | -21.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q708 T709 R716 | Q708-A712 WeakPolarHBondContact O-CB 3.32Å; Q708-A712 PolarHBondContact O-N 3.4Å; T709-A712 PolarHBondContact O-N 3.32Å; A712-R716 WeakPolarHBondContact O-CB 3.43Å; A712-R716 PolarHBondContact O-N 3.37Å; A712-R716 PolarHBondContact O-NH2 3.32Å; A712-R716 VanDerWaalsContact O-NH2 3.16Å |
| 713 | E | 83.8 | Confident | 84.5 | Confident | 83 Ų | 83 | 67.6 Ų | 67.6 | 39% | 0.388 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -78.2 | -40.3 | 172.1 | -155.3 | -166.3 | 139.6 | 0 | 0 | 112.7 | T709 S710 L711 R716 K717 | T709-E713 PolarHBondContact O-N 3.47Å; T709-E713 VanDerWaalsContact O-N 3.1Å; S710-E713 WeakPolarHBondContact O-CB 3.42Å; S710-E713 PolarHBondContact O-N 2.93Å; L711-E713 PolarHBondContact O-N 2.9Å; E713-R716 PolarHBondContact O-N 3.18Å; E713-K717 WeakPolarHBondContact O-CG 3.39Å; E713-K717 PolarHBondContact O-N 3.21Å; E713-K717 VanDerWaalsContact OE1-CE 3.26Å; E713-K717 WeakPolarHBondContact OE1-CE 3.34Å; E713-K717 IonicContact OE1-NZ 2.97Å; E713-K717 PolarHBondContact OE1-NZ 3.12Å |
| 714 | T | 81.4 | Confident | 84 | Confident | 21 Ų | 21 | 66.1 Ų | 66.1 | 13% | 0.129 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -69.5 | -37.5 | 174.7 | 55.1 | 0 | 0 | 0 | 0 | 111.9 | T665 S710 L711 R716 K717 L718 | T665-T714 PolarHBondContact OG1-OG1 2.8Å; S710-T714 PolarHBondContact O-N 3.24Å; L711-T714 PolarHBondContact O-N 3.14Å; L711-T714 VanDerWaalsContact O-N 3.16Å; L711-T714 PolarHBondContact O-OG1 2.88Å; T714-R716 PolarHBondContact O-N 3.1Å; T714-K717 PolarHBondContact O-N 3.09Å; T714-L718 WeakPolarHBondContact O-CB 3.49Å; T714-L718 PolarHBondContact O-N 3.38Å |
| 715 | E | 84.8 | Confident | 83.4 | Confident | 83 Ų | 83 | 66.9 Ų | 66.9 | 39% | 0.388 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.2 | -47.2 | 171.6 | -73.3 | -178.4 | 157.5 | 0 | 0 | 111.9 | Y662 L711 K717 L718 S719 | Y662-E715 HydrophobicContact CD2-CG 3.67Å; Y662-E715 HydrophobicContact CE2-CB 4.48Å; Y662-E715 HydrophobicContact CE2-CG 3.1Å; Y662-E715 WeakPolarHBondContact CE2-OE1 3.26Å; Y662-E715 VanDerWaalsContact CZ-OE1 3.24Å; Y662-E715 PolarHBondContact OH-OE1 3.32Å; L711-E715 WeakPolarHBondContact O-CG 3.44Å; L711-E715 PolarHBondContact O-N 2.88Å; E715-K717 PolarHBondContact O-N 3.31Å; E715-L718 PolarHBondContact O-N 3.06Å; E715-S719 PolarHBondContact O-N 2.9Å |
| 716 | R | 85.3 | Confident | 82.9 | Confident | 147 Ų | 147 | 64.7 Ų | 64.7 | 56% | 0.555 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -63.1 | -43.5 | 178.8 | -165.6 | -174.7 | -48.3 | 105.1 | 14.2 | 112.2 | A712 E713 T714 L718 S719 V720 | A712-R716 WeakPolarHBondContact O-CB 3.43Å; A712-R716 PolarHBondContact O-N 3.37Å; A712-R716 PolarHBondContact O-NH2 3.32Å; A712-R716 VanDerWaalsContact O-NH2 3.16Å; E713-R716 PolarHBondContact O-N 3.18Å; T714-R716 PolarHBondContact O-N 3.1Å; R716-L718 VanDerWaalsContact C-N 3.28Å; R716-L718 PolarHBondContact O-N 2.99Å; R716-S719 PolarHBondContact O-N 3.46Å; R716-V720 WeakPolarHBondContact O-CG2 3.42Å; R716-V720 PolarHBondContact O-N 2.93Å; R716-V720 VanDerWaalsContact O-N 3.13Å |
| 717 | K | 82.4 | Confident | 82.6 | Confident | 104 Ų | 104 | 65.1 Ų | 65.1 | 45% | 0.452 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.9 | -34.9 | 176.1 | -75.4 | 166.6 | 169.3 | 171.7 | 0 | 112.2 | L658 E713 T714 E715 A721 | L658-K717 HydrophobicContact CD2-CB 4.25Å; E713-K717 WeakPolarHBondContact O-CG 3.39Å; E713-K717 PolarHBondContact O-N 3.21Å; E713-K717 VanDerWaalsContact OE1-CE 3.26Å; E713-K717 WeakPolarHBondContact OE1-CE 3.34Å; E713-K717 IonicContact OE1-NZ 2.97Å; E713-K717 PolarHBondContact OE1-NZ 3.12Å; T714-K717 PolarHBondContact O-N 3.09Å; E715-K717 PolarHBondContact O-N 3.31Å; K717-A721 WeakPolarHBondContact O-CB 3.48Å; K717-A721 PolarHBondContact O-N 2.63Å |
| 718 | L | 83.8 | Confident | 81.8 | Confident | 24 Ų | 24 | 66.3 Ų | 66.3 | 13% | 0.126 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -73.9 | -39.8 | 177.6 | -171.8 | 151.7 | 0 | 0 | 0 | 112.3 | Y662 T714 E715 R716 A721 Q722 | Y662-L718 HydrophobicContact CD1-CD1 4.35Å; Y662-L718 HydrophobicContact CG-CD1 4.43Å; T714-L718 WeakPolarHBondContact O-CB 3.49Å; T714-L718 PolarHBondContact O-N 3.38Å; E715-L718 PolarHBondContact O-N 3.06Å; R716-L718 VanDerWaalsContact C-N 3.28Å; R716-L718 PolarHBondContact O-N 2.99Å; L718-A721 PolarHBondContact O-N 3.47Å; L718-Q722 HydrophobicContact CD2-CG 4.38Å; L718-Q722 WeakPolarHBondContact O-CG 3.36Å; L718-Q722 PolarHBondContact O-N 3.29Å |
| 719 | S | 83 | Confident | 81.1 | Confident | 51 Ų | 51 | 68.1 Ų | 68.1 | 36% | 0.357 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.2 | -51.2 | 174.6 | -160.9 | 0 | 0 | 0 | 0 | 111.5 | E715 R716 A721 Q722 E723 | E715-S719 PolarHBondContact O-N 2.9Å; R716-S719 PolarHBondContact O-N 3.46Å; S719-A721 VanDerWaalsContact C-N 3.32Å; S719-A721 PolarHBondContact O-N 2.98Å; S719-Q722 WeakPolarHBondContact O-CA 3.33Å; S719-Q722 WeakPolarHBondContact O-CB 3.35Å; S719-Q722 PolarHBondContact O-N 3.46Å; S719-E723 WeakPolarHBondContact CB-OE1 3.3Å; S719-E723 WeakPolarHBondContact O-CG 3.44Å; S719-E723 PolarHBondContact O-N 3.09Å; S719-E723 PolarHBondContact OG-OE1 3.27Å |
| 720 | V | 84.8 | Confident | 80.5 | Confident | 72 Ų | 72 | 70.4 Ų | 70.4 | 44% | 0.436 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.4 | -44.2 | 178.6 | 173.7 | 0 | 0 | 0 | 0 | 111.3 | R716 Q722 E723 D724 | R716-V720 WeakPolarHBondContact O-CG2 3.42Å; R716-V720 PolarHBondContact O-N 2.93Å; R716-V720 VanDerWaalsContact O-N 3.13Å; V720-Q722 VanDerWaalsContact C-N 3.29Å; V720-Q722 PolarHBondContact O-N 3.46Å; V720-E723 PolarHBondContact O-N 2.59Å; V720-D724 PolarHBondContact O-N 3.15Å |
| 721 | A | 77.5 | Confident | 79.8 | Confident | 22 Ų | 22 | 73.4 Ų | 73.4 | 18% | 0.182 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.1 | -30.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | L658 K717 L718 S719 I725 | L658-A721 HydrophobicContact CD1-CB 3.96Å; K717-A721 WeakPolarHBondContact O-CB 3.48Å; K717-A721 PolarHBondContact O-N 2.63Å; L718-A721 PolarHBondContact O-N 3.47Å; S719-A721 VanDerWaalsContact C-N 3.32Å; S719-A721 PolarHBondContact O-N 2.98Å; A721-I725 WeakPolarHBondContact O-CD1 3.29Å; A721-I725 VanDerWaalsContact O-CG1 3.27Å; A721-I725 WeakPolarHBondContact O-CG1 3.16Å; A721-I725 PolarHBondContact O-N 3.5Å |
| 722 | Q | 79.3 | Confident | 78.7 | Confident | 101 Ų | 101 | 74.1 Ų | 74.1 | 47% | 0.472 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -73.3 | -41.7 | 172.7 | -77.2 | 177.3 | -11.6 | 0 | 0 | 112 | L655 L718 S719 V720 A726 | L655-Q722 HydrophobicContact CD1-CG 3.69Å; L718-Q722 HydrophobicContact CD2-CG 4.38Å; L718-Q722 WeakPolarHBondContact O-CG 3.36Å; L718-Q722 PolarHBondContact O-N 3.29Å; S719-Q722 WeakPolarHBondContact O-CA 3.33Å; S719-Q722 WeakPolarHBondContact O-CB 3.35Å; S719-Q722 PolarHBondContact O-N 3.46Å; V720-Q722 VanDerWaalsContact C-N 3.29Å; V720-Q722 PolarHBondContact O-N 3.46Å; Q722-A726 WeakPolarHBondContact O-CB 3.32Å; Q722-A726 PolarHBondContact O-N 3.1Å |
| 723 | E | 82.8 | Confident | 77.6 | Confident | 100 Ų | 100 | 77.8 Ų | 77.8 | 47% | 0.467 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.9 | -41.2 | 179 | -70.1 | 162.3 | -127.6 | 0 | 0 | 112 | S719 V720 A726 R727 | S719-E723 WeakPolarHBondContact CB-OE1 3.3Å; S719-E723 WeakPolarHBondContact O-CG 3.44Å; S719-E723 PolarHBondContact O-N 3.09Å; S719-E723 PolarHBondContact OG-OE1 3.27Å; V720-E723 PolarHBondContact O-N 2.59Å; E723-A726 PolarHBondContact O-N 3Å; E723-R727 WeakPolarHBondContact O-CB 3.25Å; E723-R727 PolarHBondContact O-N 3.2Å |
| 724 | D | 77.4 | Confident | 76.7 | Confident | 57 Ų | 57 | 75.4 Ų | 75.4 | 31% | 0.305 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -67.5 | -41.8 | 176.7 | -69.6 | -28.5 | 0 | 0 | 0 | 112.1 | V720 A726 R727 M728 | V720-D724 PolarHBondContact O-N 3.15Å; D724-A726 VanDerWaalsContact C-N 3.32Å; D724-A726 PolarHBondContact O-N 3.38Å; D724-R727 PolarHBondContact O-N 3.23Å; D724-R727 IonicContact OD1-CZ 2.74Å; D724-R727 IonicContact OD1-NH1 3.94Å; D724-R727 PolarHBondContact OD1-NH1 3.47Å; D724-R727 IonicContact OD1-NH2 3.38Å; D724-R727 PolarHBondContact OD1-NH2 2.94Å; D724-M728 PolarHBondContact O-N 2.92Å |
| 725 | I | 75.5 | Confident | 75.5 | Confident | 25 Ų | 25 | 80.4 Ų | 80.4 | 13% | 0.128 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.7 | -36.9 | 174.4 | -71.3 | 168.6 | 0 | 0 | 0 | 111.3 | Q651 L655 A721 R729 | Q651-I725 HydrophobicContact CB-CD1 4.04Å; Q651-I725 HydrophobicContact CB-CG1 4.09Å; L655-I725 HydrophobicContact CB-CD1 4.27Å; L655-I725 HydrophobicContact CD1-CD1 3.69Å; A721-I725 WeakPolarHBondContact O-CD1 3.29Å; A721-I725 VanDerWaalsContact O-CG1 3.27Å; A721-I725 WeakPolarHBondContact O-CG1 3.16Å; A721-I725 PolarHBondContact O-N 3.5Å; I725-R729 WeakPolarHBondContact O-CG 3.39Å; I725-R729 PolarHBondContact O-N 3.29Å |
| 726 | A | 76.7 | Confident | 74.1 | Confident | 57 Ų | 57 | 81.3 Ų | 81.3 | 47% | 0.471 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.7 | -40.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q722 E723 D724 R729 Q730 | Q722-A726 WeakPolarHBondContact O-CB 3.32Å; Q722-A726 PolarHBondContact O-N 3.1Å; E723-A726 PolarHBondContact O-N 3Å; D724-A726 VanDerWaalsContact C-N 3.32Å; D724-A726 PolarHBondContact O-N 3.38Å; A726-R729 PolarHBondContact O-N 2.76Å; A726-Q730 PolarHBondContact O-N 3.2Å |
| 727 | R | 79.9 | Confident | 72.6 | Confident | 116 Ų | 116 | 81.7 Ų | 81.7 | 44% | 0.438 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.8 | -51.3 | 178.2 | -156.1 | -170.6 | -55.3 | 111 | 16.6 | 112.2 | E723 D724 R729 Q730 E731 | E723-R727 WeakPolarHBondContact O-CB 3.25Å; E723-R727 PolarHBondContact O-N 3.2Å; D724-R727 PolarHBondContact O-N 3.23Å; D724-R727 IonicContact OD1-CZ 2.74Å; D724-R727 IonicContact OD1-NH1 3.94Å; D724-R727 PolarHBondContact OD1-NH1 3.47Å; D724-R727 IonicContact OD1-NH2 3.38Å; D724-R727 PolarHBondContact OD1-NH2 2.94Å; R727-R729 PolarHBondContact O-N 3.31Å; R727-Q730 CarbonylContact O-C 3.57Å; R727-Q730 WeakPolarHBondContact O-CB 3.34Å; R727-Q730 PolarHBondContact O-N 2.99Å; R727-E731 WeakPolarHBondContact CD-OE1 3.47Å; R727-E731 VanDerWaalsContact CG-OE1 3.31Å; R727-E731 WeakPolarHBondContact CG-OE1 3.28Å; R727-E731 WeakPolarHBondContact O-CG 3.47Å; R727-E731 PolarHBondContact O-N 3.07Å |
| 728 | M | 70.6 | Confident | 70.9 | Confident | 48 Ų | 48 | 80.5 Ų | 80.5 | 24% | 0.236 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -61.9 | -31.3 | 178.5 | -63.9 | -166.1 | -19.8 | 0 | 0 | 113.1 | V647 I648 Q651 D724 E731 A732 | V647-M728 HydrophobicContact CG1-CE 4.29Å; I648-M728 HydrophobicContact CG1-CE 4.09Å; Q651-M728 VanDerWaalsContact NE2-CE 3.32Å; Q651-M728 PolarHBondContact NE2-SD 2.9Å; Q651-M728 VanDerWaalsContact NE2-SD 3.39Å; D724-M728 PolarHBondContact O-N 2.92Å; M728-E731 WeakPolarHBondContact CA-OE2 3.32Å; M728-A732 WeakPolarHBondContact O-CB 3.45Å; M728-A732 PolarHBondContact O-N 3.14Å |
| 729 | R | 72.3 | Confident | 69.2 | Low | 129 Ų | 129 | 82.8 Ų | 82.8 | 49% | 0.487 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67.6 | -44.1 | 172.1 | -76.5 | 175.8 | 176.3 | -132.1 | 0.5 | 111.9 | I725 A726 R727 E731 A732 E733 | I725-R729 WeakPolarHBondContact O-CG 3.39Å; I725-R729 PolarHBondContact O-N 3.29Å; A726-R729 PolarHBondContact O-N 2.76Å; R727-R729 PolarHBondContact O-N 3.31Å; R729-E731 VanDerWaalsContact C-N 3.32Å; R729-A732 PolarHBondContact O-N 3.07Å; R729-E733 WeakPolarHBondContact O-CB 3.2Å; R729-E733 WeakPolarHBondContact O-CG 3.35Å; R729-E733 PolarHBondContact O-N 2.9Å |
| 730 | Q | 74.4 | Confident | 67.9 | Low | 145 Ų | 145 | 85.7 Ų | 85.7 | 68% | 0.678 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -65.5 | -35.7 | 176.7 | -173.8 | 177.5 | -4.3 | 0 | 0 | 112.1 | A726 R727 G734 | A726-Q730 PolarHBondContact O-N 3.2Å; R727-Q730 CarbonylContact O-C 3.57Å; R727-Q730 WeakPolarHBondContact O-CB 3.34Å; R727-Q730 PolarHBondContact O-N 2.99Å; Q730-G734 PolarHBondContact O-N 3.01Å |
| 731 | E | 67.9 | Low | 66.6 | Low | 103 Ų | 103 | 85.8 Ų | 85.8 | 48% | 0.481 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.8 | -47.4 | 174.4 | -71.6 | 159.3 | 176.4 | 0 | 0 | 110.9 | R727 M728 R729 G734 Q735 | R727-E731 WeakPolarHBondContact CD-OE1 3.47Å; R727-E731 VanDerWaalsContact CG-OE1 3.31Å; R727-E731 WeakPolarHBondContact CG-OE1 3.28Å; R727-E731 WeakPolarHBondContact O-CG 3.47Å; R727-E731 PolarHBondContact O-N 3.07Å; M728-E731 WeakPolarHBondContact CA-OE2 3.32Å; R729-E731 VanDerWaalsContact C-N 3.32Å; E731-G734 PolarHBondContact O-N 3.01Å; E731-Q735 WeakPolarHBondContact O-CG 3.21Å; E731-Q735 PolarHBondContact O-N 3.01Å |
| 732 | A | 64.2 | Low | 65.5 | Low | 30 Ų | 30 | 91.6 Ų | 91.6 | 25% | 0.248 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -64.8 | -40.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | M728 R729 G734 Q735 T736 | M728-A732 WeakPolarHBondContact O-CB 3.45Å; M728-A732 PolarHBondContact O-N 3.14Å; R729-A732 PolarHBondContact O-N 3.07Å; A732-G734 VanDerWaalsContact C-N 3.3Å; A732-Q735 PolarHBondContact O-N 3.37Å; A732-T736 PolarHBondContact O-N 2.83Å; A732-T736 VanDerWaalsContact O-N 3.17Å |
| 733 | E | 62.2 | Low | 64.6 | Low | 116 Ų | 116 | 90 Ų | 90 | 54% | 0.542 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.4 | -30.6 | 172.9 | -74.9 | 176.2 | -161.9 | 0 | 0 | 112.2 | R729 T736 Q737 | R729-E733 WeakPolarHBondContact O-CB 3.2Å; R729-E733 WeakPolarHBondContact O-CG 3.35Å; R729-E733 PolarHBondContact O-N 2.9Å; E733-T736 PolarHBondContact O-OG1 2.67Å; E733-T736 VanDerWaalsContact O-OG1 3.09Å; E733-Q737 WeakPolarHBondContact O-CG 3.48Å; E733-Q737 PolarHBondContact O-N 2.88Å; E733-Q737 PolarHBondContact O-NE2 2.95Å |
| 734 | G | 63.6 | Low | 63.5 | Low | 33 Ų | 33 | 89 Ų | 89 | 34% | 0.34 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.7 | -45.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q730 E731 A732 T736 Q737 S738 | Q730-G734 PolarHBondContact O-N 3.01Å; E731-G734 PolarHBondContact O-N 3.01Å; A732-G734 VanDerWaalsContact C-N 3.3Å; G734-T736 VanDerWaalsContact C-N 3.32Å; G734-T736 PolarHBondContact O-N 3.41Å; G734-Q737 CarbonylContact O-C 3.58Å; G734-Q737 WeakPolarHBondContact O-CA 3.49Å; G734-Q737 PolarHBondContact O-N 2.96Å; G734-S738 PolarHBondContact O-N 3.2Å; G734-S738 PolarHBondContact O-OG 3.3Å |
| 735 | Q | 56.9 | Low | 62.7 | Low | 126 Ų | 126 | 92.1 Ų | 92.1 | 59% | 0.589 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.5 | -36.7 | 176.9 | -74 | 173.4 | -17.2 | 0 | 0 | 112.6 | E731 A732 Q737 S738 S739 | E731-Q735 WeakPolarHBondContact O-CG 3.21Å; E731-Q735 PolarHBondContact O-N 3.01Å; A732-Q735 PolarHBondContact O-N 3.37Å; Q735-Q737 PolarHBondContact O-N 3.11Å; Q735-S738 PolarHBondContact O-OG 2.88Å; Q735-S739 PolarHBondContact O-N 3.45Å; Q735-S739 PolarHBondContact O-OG 2.69Å |
| 736 | T | 54.9 | Low | 62.5 | Low | 102 Ų | 102 | 94.7 Ų | 94.7 | 63% | 0.626 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -73.9 | -9.1 | 173.4 | 61.9 | 0 | 0 | 0 | 0 | 114.3 | A732 E733 G734 S739 | A732-T736 PolarHBondContact O-N 2.83Å; A732-T736 VanDerWaalsContact O-N 3.17Å; E733-T736 PolarHBondContact O-OG1 2.67Å; E733-T736 VanDerWaalsContact O-OG1 3.09Å; G734-T736 VanDerWaalsContact C-N 3.32Å; G734-T736 PolarHBondContact O-N 3.41Å; T736-S739 PolarHBondContact O-OG 3.07Å |
| 737 | Q | 54.1 | Low | 62.2 | Low | 155 Ų | 155 | 98.3 Ų | 98.3 | 72% | 0.724 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -105.9 | -23.4 | 176.9 | -73.3 | 172.4 | 65.8 | 0 | 0 | 113.3 | E733 G734 Q735 | E733-Q737 WeakPolarHBondContact O-CG 3.48Å; E733-Q737 PolarHBondContact O-N 2.88Å; E733-Q737 PolarHBondContact O-NE2 2.95Å; G734-Q737 CarbonylContact O-C 3.58Å; G734-Q737 WeakPolarHBondContact O-CA 3.49Å; G734-Q737 PolarHBondContact O-N 2.96Å; Q735-Q737 PolarHBondContact O-N 3.11Å |
| 738 | S | 47.6 | Very low | 61.5 | Low | 79 Ų | 79 | 96.7 Ų | 96.7 | 55% | 0.552 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -81.1 | -28 | 172.1 | 58.5 | 0 | 0 | 0 | 0 | 112.7 | G734 Q735 V740 | G734-S738 PolarHBondContact O-N 3.2Å; G734-S738 PolarHBondContact O-OG 3.3Å; Q735-S738 PolarHBondContact O-OG 2.88Å; S738-V740 PolarHBondContact O-N 3.4Å |
| 739 | S | 48.3 | Very low | 61.5 | Low | 72 Ų | 72 | 98.2 Ų | 98.2 | 50% | 0.503 | 54% | 0.538 | S | S | . | . | S | Bend | trans | -65.3 | 112.9 | 174.1 | 64.5 | 0 | 0 | 0 | 0 | 111.4 | Q735 T736 T741 | Q735-S739 PolarHBondContact O-N 3.45Å; Q735-S739 PolarHBondContact O-OG 2.69Å; T736-S739 PolarHBondContact O-OG 3.07Å; S739-T741 PolarHBondContact O-N 3Å |
| 740 | V | 54.6 | Low | 61.5 | Low | 111 Ų | 111 | 95 Ų | 95 | 67% | 0.673 | 54% | 0.535 | S | S | * | . | trans | -55.7 | 134.3 | 168.3 | 175 | 0 | 0 | 0 | 0 | 108.7 | S738 L742 D744 | S738-V740 PolarHBondContact O-N 3.4Å; V740-L742 PolarHBondContact O-N 3.48Å; V740-D744 HydrophobicContact CG1-CB 3.97Å | ||
| 741 | T | 57.6 | Low | 61.7 | Low | 74 Ų | 74 | 91.2 Ų | 91.2 | 45% | 0.454 | 52% | 0.524 | S | S | . | . | trans | -64.5 | 141.4 | -172.7 | 88.8 | 0 | 0 | 0 | 0 | 110.6 | S739 A743 D744 H745 | S739-T741 PolarHBondContact O-N 3Å; T741-A743 PolarHBondContact O-N 3.39Å; T741-A743 VanDerWaalsContact O-N 3.08Å; T741-D744 WeakPolarHBondContact CB-OD2 3.38Å; T741-D744 WeakPolarHBondContact CG2-OD2 3.4Å; T741-D744 PolarHBondContact O-N 2.94Å; T741-D744 VanDerWaalsContact OG1-CG 3.27Å; T741-D744 PolarHBondContact OG1-N 3.06Å; T741-D744 PolarHBondContact OG1-OD2 3.01Å; T741-H745 PolarHBondContact O-N 3.09Å; T741-H745 VanDerWaalsContact O-N 3.12Å | ||
| 742 | L | 55.2 | Low | 61.5 | Low | 144 Ų | 144 | 91.2 Ų | 91.2 | 75% | 0.754 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.2 | -23.3 | -178.4 | -158.8 | 145.3 | 0 | 0 | 0 | 111.6 | V740 T746 | V740-L742 PolarHBondContact O-N 3.48Å; L742-T746 VanDerWaalsContact O-CB 3.29Å; L742-T746 WeakPolarHBondContact O-CB 3.27Å; L742-T746 PolarHBondContact O-N 3Å; L742-T746 PolarHBondContact O-OG1 3.32Å |
| 743 | A | 60.1 | Low | 62.4 | Low | 69 Ų | 69 | 91 Ų | 91 | 57% | 0.57 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -67.5 | -45.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | T741 T746 Q747 | T741-A743 PolarHBondContact O-N 3.39Å; T741-A743 VanDerWaalsContact O-N 3.08Å; A743-T746 PolarHBondContact O-N 2.88Å; A743-Q747 WeakPolarHBondContact O-CB 3.45Å; A743-Q747 PolarHBondContact O-N 3.35Å |
| 744 | D | 58.7 | Low | 63.3 | Low | 79 Ų | 79 | 89.7 Ų | 89.7 | 42% | 0.422 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.1 | -43 | 178.3 | -60 | -57.1 | 0 | 0 | 0 | 111.2 | V740 T741 Q747 V748 | V740-D744 HydrophobicContact CG1-CB 3.97Å; T741-D744 WeakPolarHBondContact CB-OD2 3.38Å; T741-D744 WeakPolarHBondContact CG2-OD2 3.4Å; T741-D744 PolarHBondContact O-N 2.94Å; T741-D744 VanDerWaalsContact OG1-CG 3.27Å; T741-D744 PolarHBondContact OG1-N 3.06Å; T741-D744 PolarHBondContact OG1-OD2 3.01Å; D744-Q747 WeakPolarHBondContact O-CB 3.42Å; D744-Q747 PolarHBondContact O-N 2.81Å; D744-V748 WeakPolarHBondContact O-CG2 3.24Å; D744-V748 PolarHBondContact O-N 3.29Å |
| 745 | H | 62.2 | Low | 64.1 | Low | 122 Ų | 122 | 90.1 Ų | 90.1 | 57% | 0.565 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.5 | -44.5 | 174.9 | -171.7 | 75.4 | 0 | 0 | 0 | 111.5 | T741 Q747 V748 V749 | T741-H745 PolarHBondContact O-N 3.09Å; T741-H745 VanDerWaalsContact O-N 3.12Å; H745-Q747 VanDerWaalsContact C-N 3.29Å; H745-Q747 PolarHBondContact O-N 3.07Å; H745-V748 PolarHBondContact O-N 3.06Å; H745-V749 WeakPolarHBondContact O-CG2 3.37Å; H745-V749 PolarHBondContact O-N 3.32Å |
| 746 | T | 70.5 | Confident | 65.1 | Low | 78 Ų | 78 | 88.6 Ų | 88.6 | 48% | 0.479 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.9 | -37.6 | 173.8 | -58.3 | 0 | 0 | 0 | 0 | 111.8 | L742 A743 S750 | L742-T746 VanDerWaalsContact O-CB 3.29Å; L742-T746 WeakPolarHBondContact O-CB 3.27Å; L742-T746 PolarHBondContact O-N 3Å; L742-T746 PolarHBondContact O-OG1 3.32Å; A743-T746 PolarHBondContact O-N 2.88Å; T746-S750 WeakPolarHBondContact O-CB 2.94Å; T746-S750 PolarHBondContact O-N 3.08Å; T746-S750 PolarHBondContact O-OG 2.89Å |
| 747 | Q | 69.9 | Low | 66.5 | Low | 133 Ų | 133 | 89.9 Ų | 89.9 | 62% | 0.621 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.9 | -45 | 177.2 | -176.6 | 171.1 | -25 | 0 | 0 | 111.4 | A743 D744 H745 S750 S751 | A743-Q747 WeakPolarHBondContact O-CB 3.45Å; A743-Q747 PolarHBondContact O-N 3.35Å; D744-Q747 WeakPolarHBondContact O-CB 3.42Å; D744-Q747 PolarHBondContact O-N 2.81Å; H745-Q747 VanDerWaalsContact C-N 3.29Å; H745-Q747 PolarHBondContact O-N 3.07Å; Q747-S750 PolarHBondContact O-N 3.11Å; Q747-S750 PolarHBondContact O-OG 2.93Å; Q747-S751 PolarHBondContact O-N 3.47Å; Q747-S751 PolarHBondContact O-OG 2.92Å |
| 748 | V | 66.2 | Low | 68.1 | Low | 82 Ų | 82 | 89 Ų | 89 | 50% | 0.497 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.3 | -45.4 | 175.2 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | D744 H745 S750 S751 L752 | D744-V748 WeakPolarHBondContact O-CG2 3.24Å; D744-V748 PolarHBondContact O-N 3.29Å; H745-V748 PolarHBondContact O-N 3.06Å; V748-S750 VanDerWaalsContact C-N 3.32Å; V748-S750 PolarHBondContact O-N 3.45Å; V748-S751 PolarHBondContact O-N 3.12Å; V748-S751 PolarHBondContact O-OG 2.93Å; V748-L752 HydrophobicContact CG1-CD1 3.96Å; V748-L752 WeakPolarHBondContact O-CG 3.44Å; V748-L752 PolarHBondContact O-N 3.14Å |
| 749 | V | 70.5 | Confident | 69.5 | Low | 81 Ų | 81 | 90.6 Ų | 90.6 | 49% | 0.491 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.4 | -39.9 | 177 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | H745 G753 | H745-V749 WeakPolarHBondContact O-CG2 3.37Å; H745-V749 PolarHBondContact O-N 3.32Å; V749-G753 PolarHBondContact O-N 2.91Å |
| 750 | S | 72.7 | Confident | 71.2 | Confident | 60 Ų | 60 | 92.5 Ų | 92.5 | 42% | 0.42 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70 | -34 | 177.2 | 72.3 | 0 | 0 | 0 | 0 | 113.4 | T746 Q747 V748 G753 N754 | T746-S750 WeakPolarHBondContact O-CB 2.94Å; T746-S750 PolarHBondContact O-N 3.08Å; T746-S750 PolarHBondContact O-OG 2.89Å; Q747-S750 PolarHBondContact O-N 3.11Å; Q747-S750 PolarHBondContact O-OG 2.93Å; V748-S750 VanDerWaalsContact C-N 3.32Å; V748-S750 PolarHBondContact O-N 3.45Å; S750-G753 PolarHBondContact O-N 3.49Å; S750-N754 PolarHBondContact O-N 3.39Å; S750-N754 PolarHBondContact O-ND2 3.4Å |
| 751 | S | 77.3 | Confident | 72.8 | Confident | 66 Ų | 66 | 90.6 Ų | 90.6 | 46% | 0.462 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70.8 | -42.3 | 176.9 | 70.1 | 0 | 0 | 0 | 0 | 111.7 | Q747 V748 N754 A755 | Q747-S751 PolarHBondContact O-N 3.47Å; Q747-S751 PolarHBondContact O-OG 2.92Å; V748-S751 PolarHBondContact O-N 3.12Å; V748-S751 PolarHBondContact O-OG 2.93Å; S751-N754 PolarHBondContact O-N 2.9Å; S751-A755 PolarHBondContact O-N 2.89Å |
| 752 | L | 65.3 | Low | 74.2 | Confident | 104 Ų | 104 | 91.8 Ų | 91.8 | 55% | 0.545 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.5 | -43.6 | 171.7 | -68.5 | 170.1 | 0 | 0 | 0 | 111.6 | V748 N754 A755 I756 | V748-L752 HydrophobicContact CG1-CD1 3.96Å; V748-L752 WeakPolarHBondContact O-CG 3.44Å; V748-L752 PolarHBondContact O-N 3.14Å; L752-N754 PolarHBondContact O-N 3.35Å; L752-A755 PolarHBondContact O-N 3.46Å; L752-I756 WeakPolarHBondContact O-CG1 3.33Å; L752-I756 PolarHBondContact O-N 3.17Å |
| 753 | G | 82.4 | Confident | 75.6 | Confident | 25 Ų | 25 | 89.8 Ų | 89.8 | 26% | 0.258 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.2 | -19.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | V749 S750 K757 | V749-G753 PolarHBondContact O-N 2.91Å; S750-G753 PolarHBondContact O-N 3.49Å; G753-K757 WeakPolarHBondContact O-CD 3.36Å; G753-K757 WeakPolarHBondContact O-CE 3.42Å; G753-K757 WeakPolarHBondContact O-CG 3.41Å |
| 754 | N | 81.7 | Confident | 77 | Confident | 88 Ų | 88 | 91.6 Ų | 91.6 | 47% | 0.471 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -85.1 | -44.3 | 170.4 | -70.3 | -20.4 | 0 | 0 | 0 | 111.3 | S750 S751 L752 I756 K757 E758 | S750-N754 PolarHBondContact O-N 3.39Å; S750-N754 PolarHBondContact O-ND2 3.4Å; S751-N754 PolarHBondContact O-N 2.9Å; L752-N754 PolarHBondContact O-N 3.35Å; N754-I756 VanDerWaalsContact C-N 3.27Å; N754-I756 PolarHBondContact O-N 3.39Å; N754-K757 WeakPolarHBondContact O-CB 3.37Å; N754-K757 PolarHBondContact O-N 3.42Å; N754-E758 PolarHBondContact O-N 2.97Å |
| 755 | A | 80.3 | Confident | 78.3 | Confident | 42 Ų | 42 | 90.8 Ų | 90.8 | 35% | 0.347 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.9 | -36.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | S751 L752 E758 L759 | S751-A755 PolarHBondContact O-N 2.89Å; L752-A755 PolarHBondContact O-N 3.46Å; A755-E758 PolarHBondContact O-N 2.88Å; A755-L759 WeakPolarHBondContact O-CG 3.42Å; A755-L759 PolarHBondContact O-N 3.26Å; A755-L759 VanDerWaalsContact O-N 3.12Å |
| 756 | I | 76.6 | Confident | 79.4 | Confident | 95 Ų | 95 | 90.3 Ų | 90.3 | 49% | 0.487 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.7 | -45.1 | 172.7 | -70.3 | 165 | 0 | 0 | 0 | 110.8 | L752 N754 E758 L759 E760 | L752-I756 WeakPolarHBondContact O-CG1 3.33Å; L752-I756 PolarHBondContact O-N 3.17Å; N754-I756 VanDerWaalsContact C-N 3.27Å; N754-I756 PolarHBondContact O-N 3.39Å; I756-E758 VanDerWaalsContact C-N 3.34Å; I756-E758 PolarHBondContact O-N 3.03Å; I756-L759 PolarHBondContact O-N 3.09Å; I756-E760 HydrophobicContact CG2-CG 4.33Å; I756-E760 WeakPolarHBondContact O-CG 3.32Å; I756-E760 PolarHBondContact O-N 2.87Å |
| 757 | K | 84.8 | Confident | 80.1 | Confident | 129 Ų | 129 | 92 Ų | 92 | 56% | 0.561 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -67.6 | -32.4 | 179.4 | -69.8 | 168.8 | -171.3 | 164.5 | 0 | 113.3 | G753 N754 S761 | G753-K757 WeakPolarHBondContact O-CD 3.36Å; G753-K757 WeakPolarHBondContact O-CE 3.42Å; G753-K757 WeakPolarHBondContact O-CG 3.41Å; N754-K757 WeakPolarHBondContact O-CB 3.37Å; N754-K757 PolarHBondContact O-N 3.42Å; K757-S761 VanDerWaalsContact O-CB 3.3Å; K757-S761 WeakPolarHBondContact O-CB 3.33Å; K757-S761 PolarHBondContact O-N 2.72Å |
| 758 | E | 86.8 | Confident | 80.9 | Confident | 137 Ų | 137 | 92 Ų | 92 | 64% | 0.64 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.8 | -45.5 | 172.5 | -71.1 | 177 | 167 | 0 | 0 | 110.3 | N754 A755 I756 S761 D762 | N754-E758 PolarHBondContact O-N 2.97Å; A755-E758 PolarHBondContact O-N 2.88Å; I756-E758 VanDerWaalsContact C-N 3.34Å; I756-E758 PolarHBondContact O-N 3.03Å; E758-S761 WeakPolarHBondContact O-CB 3.41Å; E758-S761 PolarHBondContact O-N 2.91Å; E758-D762 PolarHBondContact O-N 3.05Å |
| 759 | L | 77.1 | Confident | 81.7 | Confident | 112 Ų | 112 | 93.5 Ų | 93.5 | 59% | 0.586 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.5 | -37.4 | 174.9 | -67.6 | 169.5 | 0 | 0 | 0 | 113.4 | A755 I756 L763 | A755-L759 WeakPolarHBondContact O-CG 3.42Å; A755-L759 PolarHBondContact O-N 3.26Å; A755-L759 VanDerWaalsContact O-N 3.12Å; I756-L759 PolarHBondContact O-N 3.09Å; L759-L763 WeakPolarHBondContact O-CB 3.5Å; L759-L763 VanDerWaalsContact O-CG 3.31Å; L759-L763 WeakPolarHBondContact O-CG 3.47Å; L759-L763 PolarHBondContact O-N 2.93Å |
| 760 | E | 85.4 | Confident | 82.4 | Confident | 112 Ų | 112 | 95.3 Ų | 95.3 | 52% | 0.523 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.8 | -43.2 | 172.8 | -73.1 | 173 | 154.6 | 0 | 0 | 111.4 | I756 L763 E764 | I756-E760 HydrophobicContact CG2-CG 4.33Å; I756-E760 WeakPolarHBondContact O-CG 3.32Å; I756-E760 PolarHBondContact O-N 2.87Å; E760-L763 PolarHBondContact O-N 3.19Å; E760-E764 PolarHBondContact O-N 3.02Å |
| 761 | S | 88.3 | Confident | 83 | Confident | 70 Ų | 70 | 98.2 Ų | 98.2 | 49% | 0.49 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.8 | -48.9 | 174.8 | 179.7 | 0 | 0 | 0 | 0 | 111.4 | K757 E758 L763 E764 T765 | K757-S761 VanDerWaalsContact O-CB 3.3Å; K757-S761 WeakPolarHBondContact O-CB 3.33Å; K757-S761 PolarHBondContact O-N 2.72Å; E758-S761 WeakPolarHBondContact O-CB 3.41Å; E758-S761 PolarHBondContact O-N 2.91Å; S761-L763 VanDerWaalsContact C-N 3.31Å; S761-L763 PolarHBondContact O-N 2.8Å; S761-E764 PolarHBondContact O-N 2.63Å; S761-T765 WeakPolarHBondContact O-CG2 3.47Å; S761-T765 PolarHBondContact O-N 3.05Å |
| 762 | D | 86.8 | Confident | 83.3 | Confident | 99 Ų | 99 | 100.3 Ų | 100.3 | 53% | 0.529 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.9 | -43 | 178.3 | -80.4 | -7.8 | 0 | 0 | 0 | 111.4 | E758 E764 T765 L766 | E758-D762 PolarHBondContact O-N 3.05Å; D762-E764 PolarHBondContact O-N 2.96Å; D762-T765 PolarHBondContact O-N 3.28Å; D762-T765 PolarHBondContact O-OG1 2.86Å; D762-L766 PolarHBondContact O-N 2.9Å |
| 763 | L | 84.9 | Confident | 84.2 | Confident | 102 Ų | 102 | 101.3 Ų | 101.3 | 53% | 0.534 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.6 | -41.5 | 175 | -77 | 169.9 | 0 | 0 | 0 | 113.1 | L759 E760 S761 L766 K767 | L759-L763 WeakPolarHBondContact O-CB 3.5Å; L759-L763 VanDerWaalsContact O-CG 3.31Å; L759-L763 WeakPolarHBondContact O-CG 3.47Å; L759-L763 PolarHBondContact O-N 2.93Å; E760-L763 PolarHBondContact O-N 3.19Å; S761-L763 VanDerWaalsContact C-N 3.31Å; S761-L763 PolarHBondContact O-N 2.8Å; L763-L766 PolarHBondContact O-N 3.36Å; L763-K767 WeakPolarHBondContact O-CG 3.31Å; L763-K767 PolarHBondContact O-N 2.85Å |
| 764 | E | 88.1 | Confident | 84.2 | Confident | 107 Ų | 107 | 103.3 Ų | 103.3 | 50% | 0.5 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.5 | -39.4 | 174.5 | -67.5 | -52.7 | 141.1 | 0 | 0 | 112.1 | E760 S761 D762 L766 K767 E768 | E760-E764 PolarHBondContact O-N 3.02Å; S761-E764 PolarHBondContact O-N 2.63Å; D762-E764 PolarHBondContact O-N 2.96Å; E764-L766 PolarHBondContact O-N 3.39Å; E764-K767 PolarHBondContact O-N 2.83Å; E764-K767 IonicContact OE1-NZ 3.49Å; E764-K767 PolarHBondContact OE1-NZ 3.28Å; E764-K767 VanDerWaalsContact OE2-CD 3.3Å; E764-K767 WeakPolarHBondContact OE2-CD 3.43Å; E764-K767 IonicContact OE2-NZ 2.73Å; E764-E768 WeakPolarHBondContact O-CB 3.15Å; E764-E768 PolarHBondContact O-N 2.89Å |
| 765 | T | 87.6 | Confident | 84.2 | Confident | 63 Ų | 63 | 101.9 Ų | 101.9 | 39% | 0.387 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.7 | -31.9 | 173.9 | 73.6 | 0 | 0 | 0 | 0 | 112.6 | S761 D762 Q769 | S761-T765 WeakPolarHBondContact O-CG2 3.47Å; S761-T765 PolarHBondContact O-N 3.05Å; D762-T765 PolarHBondContact O-N 3.28Å; D762-T765 PolarHBondContact O-OG1 2.86Å; T765-Q769 WeakPolarHBondContact O-CB 3.21Å; T765-Q769 VanDerWaalsContact O-CG 3.24Å; T765-Q769 WeakPolarHBondContact O-CG 3.24Å; T765-Q769 PolarHBondContact O-N 2.79Å; T765-Q769 PolarHBondContact O-NE2 3.15Å |
| 766 | L | 84.2 | Confident | 84.1 | Confident | 111 Ų | 111 | 103.1 Ų | 103.1 | 58% | 0.581 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69.4 | -39.2 | 174.5 | -123.8 | 71.7 | 0 | 0 | 0 | 111.9 | D762 L763 E764 L770 | D762-L766 PolarHBondContact O-N 2.9Å; L763-L766 PolarHBondContact O-N 3.36Å; E764-L766 PolarHBondContact O-N 3.39Å; L766-L770 WeakPolarHBondContact O-CB 3.15Å; L766-L770 PolarHBondContact O-N 2.92Å |
| 767 | K | 84.9 | Confident | 84 | Confident | 114 Ų | 114 | 103.3 Ų | 103.3 | 50% | 0.496 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.1 | -43.9 | 173.5 | -70.1 | 166.4 | -174.6 | 175.1 | 0 | 111.9 | L763 E764 L770 H771 | L763-K767 WeakPolarHBondContact O-CG 3.31Å; L763-K767 PolarHBondContact O-N 2.85Å; E764-K767 PolarHBondContact O-N 2.83Å; E764-K767 IonicContact OE1-NZ 3.49Å; E764-K767 PolarHBondContact OE1-NZ 3.28Å; E764-K767 VanDerWaalsContact OE2-CD 3.3Å; E764-K767 WeakPolarHBondContact OE2-CD 3.43Å; E764-K767 IonicContact OE2-NZ 2.73Å; K767-L770 PolarHBondContact O-N 3.15Å; K767-H771 WeakPolarHBondContact O-CB 3.24Å; K767-H771 PolarHBondContact O-N 3.38Å |
| 768 | E | 86.8 | Confident | 83.7 | Confident | 132 Ų | 132 | 101.6 Ų | 101.6 | 62% | 0.617 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.3 | -47 | 175.4 | -173 | 79.9 | -118.1 | 0 | 0 | 110.7 | E764 L770 H771 Q772 | E764-E768 WeakPolarHBondContact O-CB 3.15Å; E764-E768 PolarHBondContact O-N 2.89Å; E768-L770 PolarHBondContact O-N 2.86Å; E768-H771 PolarHBondContact O-N 2.99Å; E768-Q772 WeakPolarHBondContact O-CB 3.39Å; E768-Q772 PolarHBondContact O-N 3.21Å |
| 769 | Q | 84.3 | Confident | 83.3 | Confident | 115 Ų | 115 | 97.3 Ų | 97.3 | 54% | 0.537 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 175.2 | -75.1 | 175.1 | 56.7 | 0 | 0 | 112.5 | T765 Q772 K773 | T765-Q769 WeakPolarHBondContact O-CB 3.21Å; T765-Q769 VanDerWaalsContact O-CG 3.24Å; T765-Q769 WeakPolarHBondContact O-CG 3.24Å; T765-Q769 PolarHBondContact O-N 2.79Å; T765-Q769 PolarHBondContact O-NE2 3.15Å; Q769-Q772 PolarHBondContact O-N 2.95Å; Q769-K773 WeakPolarHBondContact O-CB 3.06Å; Q769-K773 WeakPolarHBondContact O-CG 3.32Å; Q769-K773 PolarHBondContact O-N 2.89Å |
| 770 | L | 83.8 | Confident | 83.3 | Confident | 119 Ų | 119 | 98.4 Ų | 98.4 | 62% | 0.623 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.6 | -46.5 | 176 | -175.3 | 66.4 | 0 | 0 | 0 | 111.1 | L766 K767 E768 Q772 K773 T774 | L766-L770 WeakPolarHBondContact O-CB 3.15Å; L766-L770 PolarHBondContact O-N 2.92Å; K767-L770 PolarHBondContact O-N 3.15Å; E768-L770 PolarHBondContact O-N 2.86Å; L770-Q772 PolarHBondContact O-N 3.3Å; L770-K773 PolarHBondContact O-N 3.16Å; L770-K773 VanDerWaalsContact O-N 3.12Å; L770-T774 PolarHBondContact O-N 3Å; L770-T774 PolarHBondContact O-OG1 3.41Å |
| 771 | H | 85.2 | Confident | 82.6 | Confident | 121 Ų | 121 | 97.8 Ų | 97.8 | 56% | 0.56 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.2 | -40.3 | 177.2 | -172.5 | 70.1 | 0 | 0 | 0 | 112.2 | K767 E768 K773 T774 T775 | K767-H771 WeakPolarHBondContact O-CB 3.24Å; K767-H771 PolarHBondContact O-N 3.38Å; E768-H771 PolarHBondContact O-N 2.99Å; H771-K773 VanDerWaalsContact C-N 3.28Å; H771-K773 PolarHBondContact O-N 2.95Å; H771-T774 PolarHBondContact O-N 2.96Å; H771-T775 WeakPolarHBondContact O-CG2 3.31Å; H771-T775 PolarHBondContact O-N 3Å; H771-T775 PolarHBondContact O-OG1 3.49Å |
| 772 | Q | 84.9 | Confident | 82 | Confident | 110 Ų | 110 | 100.6 Ų | 100.6 | 51% | 0.514 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65 | -31.6 | 174.2 | -163.2 | -175.3 | 85.2 | 0 | 0 | 112.1 | E768 Q769 L770 T775 Q776 | E768-Q772 WeakPolarHBondContact O-CB 3.39Å; E768-Q772 PolarHBondContact O-N 3.21Å; Q769-Q772 PolarHBondContact O-N 2.95Å; L770-Q772 PolarHBondContact O-N 3.3Å; Q772-T775 WeakPolarHBondContact CA-OG1 3.41Å; Q772-T775 PolarHBondContact O-OG1 3.44Å; Q772-T775 VanDerWaalsContact O-OG1 3.13Å; Q772-Q776 WeakPolarHBondContact O-CB 3.49Å; Q772-Q776 WeakPolarHBondContact O-CG 3.38Å; Q772-Q776 PolarHBondContact O-N 3.44Å; Q772-Q776 VanDerWaalsContact O-N 3.11Å |
| 773 | K | 83.3 | Confident | 81.5 | Confident | 124 Ų | 124 | 101.9 Ų | 101.9 | 54% | 0.539 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -75.1 | -42 | 173.5 | -73.8 | -73.3 | 163.2 | -163 | 0 | 112.6 | Q769 L770 H771 T775 Q776 V777 | Q769-K773 WeakPolarHBondContact O-CB 3.06Å; Q769-K773 WeakPolarHBondContact O-CG 3.32Å; Q769-K773 PolarHBondContact O-N 2.89Å; L770-K773 PolarHBondContact O-N 3.16Å; L770-K773 VanDerWaalsContact O-N 3.12Å; H771-K773 VanDerWaalsContact C-N 3.28Å; H771-K773 PolarHBondContact O-N 2.95Å; K773-T775 PolarHBondContact O-N 2.86Å; K773-Q776 WeakPolarHBondContact O-CB 3.47Å; K773-Q776 PolarHBondContact O-N 3.41Å; K773-V777 WeakPolarHBondContact O-CG2 3.49Å; K773-V777 PolarHBondContact O-N 3.21Å |
| 774 | T | 82.1 | Confident | 80.8 | Confident | 68 Ų | 68 | 101 Ų | 101 | 42% | 0.417 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.3 | -45.5 | 173.7 | -59 | 0 | 0 | 0 | 0 | 111.5 | L770 H771 Q776 V777 E778 | L770-T774 PolarHBondContact O-N 3Å; L770-T774 PolarHBondContact O-OG1 3.41Å; H771-T774 PolarHBondContact O-N 2.96Å; T774-Q776 PolarHBondContact O-N 2.92Å; T774-V777 PolarHBondContact O-N 2.93Å; T774-E778 PolarHBondContact O-N 3.4Å |
| 775 | T | 82.5 | Confident | 79.7 | Confident | 58 Ų | 58 | 99.6 Ų | 99.6 | 36% | 0.356 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.4 | -31.3 | 177.3 | 50.7 | 0 | 0 | 0 | 0 | 113.1 | H771 Q772 K773 A779 | H771-T775 WeakPolarHBondContact O-CG2 3.31Å; H771-T775 PolarHBondContact O-N 3Å; H771-T775 PolarHBondContact O-OG1 3.49Å; Q772-T775 WeakPolarHBondContact CA-OG1 3.41Å; Q772-T775 PolarHBondContact O-OG1 3.44Å; Q772-T775 VanDerWaalsContact O-OG1 3.13Å; K773-T775 PolarHBondContact O-N 2.86Å; T775-A779 WeakPolarHBondContact O-CB 3.26Å; T775-A779 PolarHBondContact O-N 3.1Å |
| 776 | Q | 77.1 | Confident | 78.7 | Confident | 68 Ų | 68 | 99.1 Ų | 99.1 | 32% | 0.318 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.9 | -46.9 | 167.8 | -78 | 167 | 23.8 | 0 | 0 | 111.5 | Q772 K773 T774 E778 A779 F780 | Q772-Q776 WeakPolarHBondContact O-CB 3.49Å; Q772-Q776 WeakPolarHBondContact O-CG 3.38Å; Q772-Q776 PolarHBondContact O-N 3.44Å; Q772-Q776 VanDerWaalsContact O-N 3.11Å; K773-Q776 WeakPolarHBondContact O-CB 3.47Å; K773-Q776 PolarHBondContact O-N 3.41Å; T774-Q776 PolarHBondContact O-N 2.92Å; Q776-E778 PolarHBondContact O-N 3.31Å; Q776-A779 PolarHBondContact O-N 3.34Å; Q776-A779 VanDerWaalsContact O-N 3.15Å; Q776-F780 HydrophobicContact CB-CE2 4.35Å; Q776-F780 WeakPolarHBondContact O-CD2 3.43Å; Q776-F780 PolarHBondContact O-N 3.3Å |
| 777 | V | 74.8 | Confident | 77.4 | Confident | 98 Ų | 98 | 100.3 Ų | 100.3 | 59% | 0.594 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.1 | -44.1 | 177.2 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | K773 T774 A779 F780 Q781 | K773-V777 WeakPolarHBondContact O-CG2 3.49Å; K773-V777 PolarHBondContact O-N 3.21Å; T774-V777 PolarHBondContact O-N 2.93Å; V777-A779 VanDerWaalsContact C-N 3.32Å; V777-A779 PolarHBondContact O-N 3.2Å; V777-F780 PolarHBondContact O-N 3.03Å; V777-Q781 PolarHBondContact O-N 3.37Å |
| 778 | E | 78.7 | Confident | 75.9 | Confident | 94 Ų | 94 | 101.3 Ų | 101.3 | 44% | 0.439 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.9 | -39.8 | 173 | -79.1 | -169.4 | -143.8 | 0 | 0 | 113.1 | T774 Q776 Q781 K782 | T774-E778 PolarHBondContact O-N 3.4Å; Q776-E778 PolarHBondContact O-N 3.31Å; E778-Q781 PolarHBondContact O-N 3.47Å; E778-K782 WeakPolarHBondContact O-CB 3.19Å; E778-K782 WeakPolarHBondContact O-CD 3.42Å; E778-K782 VanDerWaalsContact O-CG 3.26Å; E778-K782 WeakPolarHBondContact O-CG 3.34Å; E778-K782 PolarHBondContact O-N 2.88Å; E778-K782 IonicContact OE2-NZ 3.24Å; E778-K782 PolarHBondContact OE2-NZ 3.49Å |
| 779 | A | 79.1 | Confident | 74.1 | Confident | 47 Ų | 47 | 101.9 Ų | 101.9 | 39% | 0.388 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -67.8 | -37.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | T775 Q776 V777 K783 | T775-A779 WeakPolarHBondContact O-CB 3.26Å; T775-A779 PolarHBondContact O-N 3.1Å; Q776-A779 PolarHBondContact O-N 3.34Å; Q776-A779 VanDerWaalsContact O-N 3.15Å; V777-A779 VanDerWaalsContact C-N 3.32Å; V777-A779 PolarHBondContact O-N 3.2Å; A779-K783 WeakPolarHBondContact O-CG 3.45Å; A779-K783 PolarHBondContact O-N 3.2Å |
| 780 | F | 76.4 | Confident | 72.4 | Confident | 135 Ų | 135 | 101.8 Ų | 101.8 | 59% | 0.592 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.3 | -42.1 | 171.6 | -70.8 | -60.1 | 0 | 0 | 0 | 112 | Q776 V777 K782 K783 L784 | Q776-F780 HydrophobicContact CB-CE2 4.35Å; Q776-F780 WeakPolarHBondContact O-CD2 3.43Å; Q776-F780 PolarHBondContact O-N 3.3Å; V777-F780 PolarHBondContact O-N 3.03Å; F780-K782 VanDerWaalsContact C-N 3.34Å; F780-K782 PolarHBondContact O-N 3.48Å; F780-K783 PolarHBondContact O-N 2.99Å; F780-L784 WeakPolarHBondContact O-CB 3.46Å; F780-L784 PolarHBondContact O-N 3.16Å |
| 781 | Q | 71.3 | Confident | 70.6 | Confident | 98 Ų | 98 | 102 Ų | 102 | 46% | 0.458 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.9 | -41.4 | 175.3 | -169.7 | 65.2 | 62.6 | 0 | 0 | 111.8 | V777 E778 K783 L784 N785 | V777-Q781 PolarHBondContact O-N 3.37Å; E778-Q781 PolarHBondContact O-N 3.47Å; Q781-K783 VanDerWaalsContact C-N 3.35Å; Q781-K783 PolarHBondContact O-N 3.38Å; Q781-L784 PolarHBondContact O-N 2.79Å; Q781-N785 PolarHBondContact NE2-OD1 3.47Å; Q781-N785 WeakPolarHBondContact O-CB 3.39Å; Q781-N785 PolarHBondContact O-N 2.99Å; Q781-N785 PolarHBondContact O-OD1 2.96Å |
| 782 | K | 75.8 | Confident | 68.9 | Low | 130 Ų | 130 | 103.3 Ų | 103.3 | 57% | 0.565 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -64.8 | -36 | 175.5 | -73.8 | 160.1 | -175.5 | 155.8 | 0 | 112.2 | E778 F780 A786 | E778-K782 WeakPolarHBondContact O-CB 3.19Å; E778-K782 WeakPolarHBondContact O-CD 3.42Å; E778-K782 VanDerWaalsContact O-CG 3.26Å; E778-K782 WeakPolarHBondContact O-CG 3.34Å; E778-K782 PolarHBondContact O-N 2.88Å; E778-K782 IonicContact OE2-NZ 3.24Å; E778-K782 PolarHBondContact OE2-NZ 3.49Å; F780-K782 VanDerWaalsContact C-N 3.34Å; F780-K782 PolarHBondContact O-N 3.48Å; K782-A786 WeakPolarHBondContact O-CB 3.32Å; K782-A786 PolarHBondContact O-N 3.42Å; K782-A786 VanDerWaalsContact O-N 3.15Å |
| 783 | K | 75.2 | Confident | 66.9 | Low | 126 Ų | 126 | 106.8 Ų | 106.8 | 55% | 0.548 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -68.1 | -48.2 | 172.2 | -75.5 | 177 | 177.6 | -175.7 | 0 | 112.5 | A779 F780 Q781 N785 A786 E787 | A779-K783 WeakPolarHBondContact O-CG 3.45Å; A779-K783 PolarHBondContact O-N 3.2Å; F780-K783 PolarHBondContact O-N 2.99Å; Q781-K783 VanDerWaalsContact C-N 3.35Å; Q781-K783 PolarHBondContact O-N 3.38Å; K783-N785 VanDerWaalsContact C-N 3.28Å; K783-N785 PolarHBondContact O-N 3.13Å; K783-A786 CarbonylContact O-C 3.58Å; K783-A786 WeakPolarHBondContact O-CA 3.46Å; K783-A786 WeakPolarHBondContact O-CB 3.43Å; K783-A786 PolarHBondContact O-N 3.41Å; K783-E787 PolarHBondContact O-N 3.04Å |
| 784 | L | 70.1 | Confident | 64.9 | Low | 82 Ų | 82 | 108.9 Ų | 108.9 | 43% | 0.429 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -58.5 | -41.3 | 179 | -177 | 65.3 | 0 | 0 | 0 | 111.5 | F780 Q781 E787 Q788 | F780-L784 WeakPolarHBondContact O-CB 3.46Å; F780-L784 PolarHBondContact O-N 3.16Å; Q781-L784 PolarHBondContact O-N 2.79Å; L784-E787 PolarHBondContact O-N 2.94Å; L784-Q788 WeakPolarHBondContact O-CG 3.2Å; L784-Q788 PolarHBondContact O-N 3.44Å; L784-Q788 VanDerWaalsContact O-N 3.08Å |
| 785 | N | 66.5 | Low | 63.6 | Low | 79 Ų | 79 | 110 Ų | 110 | 42% | 0.422 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.5 | -39.3 | 174.3 | -66.2 | 12.1 | 0 | 0 | 0 | 111.8 | Q781 K783 Q788 D789 | Q781-N785 PolarHBondContact NE2-OD1 3.47Å; Q781-N785 WeakPolarHBondContact O-CB 3.39Å; Q781-N785 PolarHBondContact O-N 2.99Å; Q781-N785 PolarHBondContact O-OD1 2.96Å; K783-N785 VanDerWaalsContact C-N 3.28Å; K783-N785 PolarHBondContact O-N 3.13Å; N785-Q788 PolarHBondContact O-N 3.47Å; N785-D789 PolarHBondContact O-N 3.46Å |
| 786 | A | 65.9 | Low | 62.2 | Low | 53 Ų | 53 | 112.1 Ų | 112.1 | 44% | 0.438 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -70.5 | -32.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | K782 K783 Q788 D789 V790 | K782-A786 WeakPolarHBondContact O-CB 3.32Å; K782-A786 PolarHBondContact O-N 3.42Å; K782-A786 VanDerWaalsContact O-N 3.15Å; K783-A786 CarbonylContact O-C 3.58Å; K783-A786 WeakPolarHBondContact O-CA 3.46Å; K783-A786 WeakPolarHBondContact O-CB 3.43Å; K783-A786 PolarHBondContact O-N 3.41Å; A786-Q788 VanDerWaalsContact C-N 3.34Å; A786-D789 PolarHBondContact O-N 3.36Å; A786-V790 WeakPolarHBondContact O-CG2 3.24Å; A786-V790 PolarHBondContact O-N 3.23Å |
| 787 | E | 55.8 | Low | 61.4 | Low | 136 Ų | 136 | 112.7 Ų | 112.7 | 64% | 0.636 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -72.4 | -27.1 | 173.6 | -72.9 | 170.8 | 172.4 | 0 | 0 | 111.9 | K783 L784 V790 | K783-E787 PolarHBondContact O-N 3.04Å; L784-E787 PolarHBondContact O-N 2.94Å; E787-V790 PolarHBondContact O-N 3Å |
| 788 | Q | 54.3 | Low | 60.6 | Low | 134 Ų | 134 | 117.8 Ų | 117.8 | 63% | 0.626 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -69 | -30.3 | 170.3 | -74.3 | 173.8 | 9.1 | 0 | 0 | 113.1 | L784 N785 A786 | L784-Q788 WeakPolarHBondContact O-CG 3.2Å; L784-Q788 PolarHBondContact O-N 3.44Å; L784-Q788 VanDerWaalsContact O-N 3.08Å; N785-Q788 PolarHBondContact O-N 3.47Å; A786-Q788 VanDerWaalsContact C-N 3.34Å |
| 789 | D | 48.6 | Very low | 60 | Low | 145 Ų | 145 | 119.3 Ų | 119.3 | 78% | 0.775 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -80.9 | -15.6 | 175.5 | -81.3 | -28.3 | 0 | 0 | 0 | 113.6 | N785 A786 | N785-D789 PolarHBondContact O-N 3.46Å; A786-D789 PolarHBondContact O-N 3.36Å |
| 790 | V | 49.4 | Very low | 59.2 | Low | 113 Ų | 113 | 121.5 Ų | 121.5 | 69% | 0.685 | 63% | 0.633 | S | S | * | * | trans | -114.4 | 78.4 | -175.9 | -174.1 | 0 | 0 | 0 | 0 | 111.7 | A786 E787 | A786-V790 WeakPolarHBondContact O-CG2 3.24Å; A786-V790 PolarHBondContact O-N 3.23Å; E787-V790 PolarHBondContact O-N 3Å | ||
| 791 | T | 45.8 | Very low | 58.9 | Low | 122 Ų | 122 | 120.9 Ų | 120.9 | 75% | 0.748 | 63% | 0.631 | S | S | * | * | trans | -85 | 109.1 | 163.9 | 53.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 792 | L | 49.1 | Very low | 58.8 | Low | 150 Ų | 150 | 121.5 Ų | 121.5 | 79% | 0.785 | 63% | 0.634 | S | S | * | * | 170 | 140.4 | 127.2 | -90.2 | 164 | 0 | 0 | 0 | 111.6 | |||||
| 793 | E | 42.3 | Very low | 58.9 | Low | 182 Ų | 182 | 117.9 Ų | 117.9 | 85% | 0.85 | 62% | 0.623 | S | S | * | * | trans | 54.9 | 87.9 | 163.9 | -59.6 | -174.7 | 174.7 | 0 | 0 | 118 | ||||
| 794 | D | 42.7 | Very low | 58.8 | Low | 168 Ų | 168 | 117.3 Ų | 117.3 | 90% | 0.898 | 62% | 0.624 | S | S | * | * | -158.2 | 164.8 | 98.4 | -134.3 | -30.5 | 0 | 0 | 0 | 112.5 | |||||
| 795 | A | 53.5 | Low | 59.2 | Low | 91 Ų | 91 | 120.7 Ų | 120.7 | 75% | 0.752 | 63% | 0.631 | S | S | * | * | trans | -101.6 | 92.8 | -164.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 796 | V | 53.7 | Low | 59.8 | Low | 104 Ų | 104 | 123.7 Ų | 123.7 | 63% | 0.63 | 64% | 0.642 | S | S | * | * | trans | -78 | 141 | 160.6 | -179.6 | 0 | 0 | 0 | 0 | 109.9 | R798 | V796-R798 PolarHBondContact O-N 2.75Š| ||
| 797 | P | 59.9 | Low | 60.6 | Low | 79 Ų | 79 | 127.5 Ų | 127.5 | 51% | 0.513 | 65% | 0.651 | S | S | . | * | trans | -60.9 | 123 | 177.6 | -22.1 | 33.4 | 0 | 0 | 0 | 112 | L799 D800 H801 | P797-L799 PolarHBondContact O-N 3.38Å; P797-D800 WeakPolarHBondContact CB-OD2 3.36Å; P797-D800 PolarHBondContact O-N 3.04Å; P797-H801 PolarHBondContact O-N 3.39Å | ||
| 798 | R | 59.6 | Low | 61.8 | Low | 206 Ų | 206 | 125.5 Ų | 125.5 | 78% | 0.777 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -56.1 | -36.4 | -177.1 | -69.6 | -175.5 | 179.5 | 174.6 | -0.9 | 113.3 | V796 D800 H801 E802 | V796-R798 PolarHBondContact O-N 2.75Å; R798-D800 PolarHBondContact O-N 2.96Å; R798-H801 CarbonylContact O-C 3.54Å; R798-H801 PolarHBondContact O-N 3.37Å; R798-E802 WeakPolarHBondContact O-CB 3.4Å; R798-E802 VanDerWaalsContact O-CG 3.31Å; R798-E802 WeakPolarHBondContact O-CG 3.35Å; R798-E802 PolarHBondContact O-N 2.84Å |
| 799 | L | 64.7 | Low | 63.2 | Low | 125 Ų | 125 | 123.4 Ų | 123.4 | 65% | 0.654 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -62 | -39.6 | -178.4 | -165.9 | 72.2 | 0 | 0 | 0 | 112.9 | P797 H801 T803 | P797-L799 PolarHBondContact O-N 3.38Å; L799-H801 VanDerWaalsContact C-N 3.34Å; L799-T803 WeakPolarHBondContact O-CB 3.26Å; L799-T803 WeakPolarHBondContact O-CG2 3.38Å; L799-T803 PolarHBondContact O-N 2.96Å; L799-T803 PolarHBondContact O-OG1 3.45Å |
| 800 | D | 62.2 | Low | 65 | Low | 94 Ų | 94 | 118.4 Ų | 118.4 | 50% | 0.503 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -72.5 | -33.9 | 178.5 | -57.6 | -34.8 | 0 | 0 | 0 | 110.6 | P797 R798 T803 M804 | P797-D800 WeakPolarHBondContact CB-OD2 3.36Å; P797-D800 PolarHBondContact O-N 3.04Å; R798-D800 PolarHBondContact O-N 2.96Å; D800-T803 WeakPolarHBondContact CA-OG1 3.4Å; D800-T803 PolarHBondContact O-OG1 3.46Å; D800-M804 VanDerWaalsContact O-CB 3.28Å; D800-M804 WeakPolarHBondContact O-CB 3.47Å; D800-M804 PolarHBondContact O-N 2.84Å |
| 801 | H | 70.2 | Confident | 66.8 | Low | 121 Ų | 121 | 118.8 Ų | 118.8 | 56% | 0.56 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -76.5 | -32.9 | 177.5 | -154.6 | -35.5 | 0 | 0 | 0 | 113 | P797 R798 L799 R805 | P797-H801 PolarHBondContact O-N 3.39Å; R798-H801 CarbonylContact O-C 3.54Å; R798-H801 PolarHBondContact O-N 3.37Å; L799-H801 VanDerWaalsContact C-N 3.34Å; H801-R805 WeakPolarHBondContact O-CB 3.49Å; H801-R805 PolarHBondContact O-N 2.91Å; H801-R805 VanDerWaalsContact O-N 3.12Å |
| 802 | E | 70.7 | Confident | 68.7 | Low | 111 Ų | 111 | 117.2 Ų | 117.2 | 52% | 0.519 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -72 | -45.1 | 173.8 | -75.4 | 168.4 | 156.9 | 0 | 0 | 110.5 | R798 R805 E806 | R798-E802 WeakPolarHBondContact O-CB 3.4Å; R798-E802 VanDerWaalsContact O-CG 3.31Å; R798-E802 WeakPolarHBondContact O-CG 3.35Å; R798-E802 PolarHBondContact O-N 2.84Å; E802-R805 WeakPolarHBondContact O-CB 3.31Å; E802-R805 PolarHBondContact O-N 2.72Å; E802-E806 PolarHBondContact O-N 3.06Å |
| 803 | T | 77.2 | Confident | 70.5 | Confident | 55 Ų | 55 | 114.6 Ų | 114.6 | 34% | 0.337 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -68 | -39.1 | 177.1 | 50.3 | 0 | 0 | 0 | 0 | 113.3 | L799 D800 R805 E806 Q807 | L799-T803 WeakPolarHBondContact O-CB 3.26Å; L799-T803 WeakPolarHBondContact O-CG2 3.38Å; L799-T803 PolarHBondContact O-N 2.96Å; L799-T803 PolarHBondContact O-OG1 3.45Å; D800-T803 WeakPolarHBondContact CA-OG1 3.4Å; D800-T803 PolarHBondContact O-OG1 3.46Å; T803-R805 VanDerWaalsContact C-N 3.28Å; T803-R805 PolarHBondContact O-N 2.9Å; T803-E806 PolarHBondContact O-N 3.33Å; T803-Q807 VanDerWaalsContact O-CG 3.31Å; T803-Q807 WeakPolarHBondContact O-CG 3.42Å; T803-Q807 PolarHBondContact O-N 3.41Å |
| 804 | M | 72.4 | Confident | 72.7 | Confident | 113 Ų | 113 | 111.1 Ų | 111.1 | 56% | 0.557 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.3 | -37.6 | 170.7 | -175 | -177 | -65.2 | 0 | 0 | 111.4 | D800 Q807 L808 | D800-M804 VanDerWaalsContact O-CB 3.28Å; D800-M804 WeakPolarHBondContact O-CB 3.47Å; D800-M804 PolarHBondContact O-N 2.84Å; M804-Q807 PolarHBondContact O-N 2.74Å; M804-L808 HydrophobicContact CG-CD1 4.06Å; M804-L808 WeakPolarHBondContact O-CB 3.27Å; M804-L808 WeakPolarHBondContact O-CG 3.41Å; M804-L808 PolarHBondContact O-N 3.38Å |
| 805 | R | 78.2 | Confident | 74.8 | Confident | 153 Ų | 153 | 108.3 Ų | 108.3 | 58% | 0.577 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67 | -44.5 | 176.2 | 179.4 | 178.9 | 172.4 | -168.6 | -8.4 | 112.2 | H801 E802 T803 Q807 L808 E809 | H801-R805 WeakPolarHBondContact O-CB 3.49Å; H801-R805 PolarHBondContact O-N 2.91Å; H801-R805 VanDerWaalsContact O-N 3.12Å; E802-R805 WeakPolarHBondContact O-CB 3.31Å; E802-R805 PolarHBondContact O-N 2.72Å; T803-R805 VanDerWaalsContact C-N 3.28Å; T803-R805 PolarHBondContact O-N 2.9Å; R805-Q807 VanDerWaalsContact C-N 3.29Å; R805-Q807 PolarHBondContact O-N 3.2Å; R805-L808 PolarHBondContact O-N 2.78Å; R805-E809 HydrophobicContact CG-CG 4.34Å; R805-E809 IonicContact CZ-OE1 3.39Å; R805-E809 IonicContact NE-OE1 3.41Å; R805-E809 PolarHBondContact NE-OE1 2.7Å; R805-E809 IonicContact NH2-OE1 2.93Å; R805-E809 PolarHBondContact NH2-OE1 2.59Å; R805-E809 WeakPolarHBondContact O-CB 3.18Å; R805-E809 WeakPolarHBondContact O-CG 3.27Å; R805-E809 PolarHBondContact O-N 3.08Å |
| 806 | E | 80.3 | Confident | 76.4 | Confident | 143 Ų | 143 | 107 Ų | 107 | 67% | 0.668 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.4 | -37.7 | 175.6 | -73.9 | -176 | 157.7 | 0 | 0 | 111.9 | E802 T803 G810 | E802-E806 PolarHBondContact O-N 3.06Å; T803-E806 PolarHBondContact O-N 3.33Å; E806-G810 PolarHBondContact O-N 3.36Å |
| 807 | Q | 82.9 | Confident | 78.1 | Confident | 133 Ų | 133 | 108 Ų | 108 | 62% | 0.621 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.6 | -48.7 | 174.1 | -72.2 | 170.6 | 12 | 0 | 0 | 111.7 | T803 M804 R805 G810 E811 | T803-Q807 VanDerWaalsContact O-CG 3.31Å; T803-Q807 WeakPolarHBondContact O-CG 3.42Å; T803-Q807 PolarHBondContact O-N 3.41Å; M804-Q807 PolarHBondContact O-N 2.74Å; R805-Q807 VanDerWaalsContact C-N 3.29Å; R805-Q807 PolarHBondContact O-N 3.2Å; Q807-G810 WeakPolarHBondContact O-CA 3.32Å; Q807-G810 PolarHBondContact O-N 3.41Å; Q807-G810 VanDerWaalsContact O-N 3.15Å; Q807-E811 PolarHBondContact O-N 2.9Å |
| 808 | L | 80.7 | Confident | 79.5 | Confident | 93 Ų | 93 | 108.6 Ų | 108.6 | 49% | 0.487 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.3 | -38.8 | 178.5 | -71.2 | 169.9 | 0 | 0 | 0 | 112.7 | M804 R805 G810 E811 V812 | M804-L808 HydrophobicContact CG-CD1 4.06Å; M804-L808 WeakPolarHBondContact O-CB 3.27Å; M804-L808 WeakPolarHBondContact O-CG 3.41Å; M804-L808 PolarHBondContact O-N 3.38Å; R805-L808 PolarHBondContact O-N 2.78Å; L808-G810 VanDerWaalsContact C-N 3.3Å; L808-G810 PolarHBondContact O-N 2.9Å; L808-E811 PolarHBondContact O-N 3.15Å; L808-V812 WeakPolarHBondContact O-CB 3.31Å; L808-V812 VanDerWaalsContact O-CG2 3.26Å; L808-V812 WeakPolarHBondContact O-CG2 3.25Å; L808-V812 PolarHBondContact O-N 2.81Å |
| 809 | E | 83.3 | Confident | 80.9 | Confident | 91 Ų | 91 | 104 Ų | 104 | 43% | 0.425 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65 | -35.5 | 171.8 | -73.9 | -176.1 | -174 | 0 | 0 | 110.9 | R805 N813 | R805-E809 HydrophobicContact CG-CG 4.34Å; R805-E809 IonicContact CZ-OE1 3.39Å; R805-E809 IonicContact NE-OE1 3.41Å; R805-E809 PolarHBondContact NE-OE1 2.7Å; R805-E809 IonicContact NH2-OE1 2.93Å; R805-E809 PolarHBondContact NH2-OE1 2.59Å; R805-E809 WeakPolarHBondContact O-CB 3.18Å; R805-E809 WeakPolarHBondContact O-CG 3.27Å; R805-E809 PolarHBondContact O-N 3.08Å; E809-N813 WeakPolarHBondContact O-CB 3.44Å; E809-N813 PolarHBondContact O-N 3.15Å; E809-N813 PolarHBondContact O-ND2 2.65Å |
| 810 | G | 85.8 | Confident | 81.9 | Confident | 39 Ų | 39 | 102.3 Ų | 102.3 | 40% | 0.402 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62 | -48.7 | 171 | 0 | 0 | 0 | 0 | 0 | 113.4 | E806 Q807 L808 N813 H814 | E806-G810 PolarHBondContact O-N 3.36Å; Q807-G810 WeakPolarHBondContact O-CA 3.32Å; Q807-G810 PolarHBondContact O-N 3.41Å; Q807-G810 VanDerWaalsContact O-N 3.15Å; L808-G810 VanDerWaalsContact C-N 3.3Å; L808-G810 PolarHBondContact O-N 2.9Å; G810-N813 PolarHBondContact O-N 3.16Å; G810-H814 PolarHBondContact O-N 2.93Å |
| 811 | E | 88.2 | Confident | 83.1 | Confident | 122 Ų | 122 | 100.1 Ų | 100.1 | 57% | 0.57 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.5 | -43.9 | 177.6 | -72.5 | -176.5 | 176.2 | 0 | 0 | 112.2 | Q807 L808 N813 H814 L815 | Q807-E811 PolarHBondContact O-N 2.9Å; L808-E811 PolarHBondContact O-N 3.15Å; E811-N813 VanDerWaalsContact C-N 3.33Å; E811-N813 PolarHBondContact O-N 2.95Å; E811-H814 PolarHBondContact O-N 3.22Å; E811-L815 WeakPolarHBondContact O-CB 3.23Å; E811-L815 WeakPolarHBondContact O-CG 3.41Å; E811-L815 PolarHBondContact O-N 2.89Å |
| 812 | V | 85.8 | Confident | 83.8 | Confident | 88 Ų | 88 | 97 Ų | 97 | 53% | 0.533 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 175.2 | 168.8 | 0 | 0 | 0 | 0 | 111 | L808 T816 | L808-V812 WeakPolarHBondContact O-CB 3.31Å; L808-V812 VanDerWaalsContact O-CG2 3.26Å; L808-V812 WeakPolarHBondContact O-CG2 3.25Å; L808-V812 PolarHBondContact O-N 2.81Å; V812-T816 VanDerWaalsContact O-CB 3.28Å; V812-T816 WeakPolarHBondContact O-CB 3.45Å; V812-T816 PolarHBondContact O-N 3.2Å; V812-T816 PolarHBondContact O-OG1 3.07Å |
| 813 | N | 85.7 | Confident | 84.6 | Confident | 95 Ų | 95 | 95.6 Ų | 95.6 | 51% | 0.508 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.3 | -40.8 | 174.4 | -82.3 | -60.6 | 0 | 0 | 0 | 112.2 | E809 G810 E811 T816 Q817 | E809-N813 WeakPolarHBondContact O-CB 3.44Å; E809-N813 PolarHBondContact O-N 3.15Å; E809-N813 PolarHBondContact O-ND2 2.65Å; G810-N813 PolarHBondContact O-N 3.16Å; E811-N813 VanDerWaalsContact C-N 3.33Å; E811-N813 PolarHBondContact O-N 2.95Å; N813-T816 PolarHBondContact O-N 3.42Å; N813-Q817 WeakPolarHBondContact O-CG 3.47Å; N813-Q817 PolarHBondContact O-N 3.09Å |
| 814 | H | 88.8 | Confident | 85.1 | Confident | 109 Ų | 109 | 100 Ų | 100 | 51% | 0.505 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.9 | -46.3 | 177.3 | -176 | 54.2 | 0 | 0 | 0 | 112.3 | G810 E811 T816 Q817 L818 | G810-H814 PolarHBondContact O-N 2.93Å; E811-H814 PolarHBondContact O-N 3.22Å; H814-T816 VanDerWaalsContact C-N 3.31Å; H814-T816 PolarHBondContact O-N 2.98Å; H814-Q817 PolarHBondContact O-N 3.23Å; H814-L818 WeakPolarHBondContact O-CG 3.42Å; H814-L818 PolarHBondContact O-N 2.87Å |
| 815 | L | 87.7 | Confident | 85.9 | Confident | 109 Ų | 109 | 101.1 Ų | 101.1 | 57% | 0.571 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.1 | -37.9 | 174.3 | -70.1 | 170.2 | 0 | 0 | 0 | 111.8 | E811 L818 L819 | E811-L815 WeakPolarHBondContact O-CB 3.23Å; E811-L815 WeakPolarHBondContact O-CG 3.41Å; E811-L815 PolarHBondContact O-N 2.89Å; L815-L818 PolarHBondContact O-N 3.27Å; L815-L819 WeakPolarHBondContact O-CB 3.34Å; L815-L819 PolarHBondContact O-N 3.37Å |
| 816 | T | 87 | Confident | 86.3 | Confident | 64 Ų | 64 | 99.6 Ų | 99.6 | 39% | 0.393 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.2 | -40.2 | 174 | -59.2 | 0 | 0 | 0 | 0 | 111.8 | V812 N813 H814 L819 Q820 | V812-T816 VanDerWaalsContact O-CB 3.28Å; V812-T816 WeakPolarHBondContact O-CB 3.45Å; V812-T816 PolarHBondContact O-N 3.2Å; V812-T816 PolarHBondContact O-OG1 3.07Å; N813-T816 PolarHBondContact O-N 3.42Å; H814-T816 VanDerWaalsContact C-N 3.31Å; H814-T816 PolarHBondContact O-N 2.98Å; T816-L819 PolarHBondContact O-N 3.14Å; T816-Q820 WeakPolarHBondContact O-CG 3.47Å; T816-Q820 PolarHBondContact O-N 3.45Å |
| 817 | Q | 88.4 | Confident | 86.6 | Confident | 125 Ų | 125 | 97.6 Ų | 97.6 | 58% | 0.584 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66 | -42.6 | 174.9 | -72.5 | 172.7 | 16.1 | 0 | 0 | 112 | N813 H814 Q820 A821 | N813-Q817 WeakPolarHBondContact O-CG 3.47Å; N813-Q817 PolarHBondContact O-N 3.09Å; H814-Q817 PolarHBondContact O-N 3.23Å; Q817-Q820 PolarHBondContact O-N 3.42Å; Q817-A821 WeakPolarHBondContact O-CB 3.48Å; Q817-A821 PolarHBondContact O-N 3.43Å |
| 818 | L | 90.2 | Very high | 86.9 | Confident | 92 Ų | 92 | 96.6 Ų | 96.6 | 48% | 0.482 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 174.9 | -73.8 | 171.9 | 0 | 0 | 0 | 111.9 | H814 L815 A821 A822 | H814-L818 WeakPolarHBondContact O-CG 3.42Å; H814-L818 PolarHBondContact O-N 2.87Å; L815-L818 PolarHBondContact O-N 3.27Å; L818-A821 PolarHBondContact O-N 2.83Å; L818-A822 WeakPolarHBondContact O-CB 3.41Å; L818-A822 PolarHBondContact O-N 2.91Å |
| 819 | L | 87.9 | Confident | 87.1 | Confident | 108 Ų | 108 | 97.6 Ų | 97.6 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.8 | -44.2 | 176.3 | -179 | 61.3 | 0 | 0 | 0 | 111.7 | L815 T816 A821 A822 L823 | L815-L819 WeakPolarHBondContact O-CB 3.34Å; L815-L819 PolarHBondContact O-N 3.37Å; T816-L819 PolarHBondContact O-N 3.14Å; L819-A821 VanDerWaalsContact C-N 3.3Å; L819-A821 PolarHBondContact O-N 2.83Å; L819-A822 PolarHBondContact O-N 2.78Å; L819-L823 HydrophobicContact CD1-CD1 4.39Å; L819-L823 HydrophobicContact CD1-CG 4.47Å; L819-L823 HydrophobicContact CG-CD1 4.17Å; L819-L823 WeakPolarHBondContact O-CB 3.31Å; L819-L823 WeakPolarHBondContact O-CG 3.34Å; L819-L823 PolarHBondContact O-N 3.07Å |
| 820 | Q | 86.7 | Confident | 87.2 | Confident | 90 Ų | 90 | 96 Ų | 96 | 42% | 0.421 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.6 | -29 | 174.4 | -71.4 | -171.7 | 18.1 | 0 | 0 | 113.3 | T816 Q817 R824 | T816-Q820 WeakPolarHBondContact O-CG 3.47Å; T816-Q820 PolarHBondContact O-N 3.45Å; Q817-Q820 PolarHBondContact O-N 3.42Å; Q820-R824 WeakPolarHBondContact O-CB 3.43Å; Q820-R824 VanDerWaalsContact O-CG 3.31Å; Q820-R824 WeakPolarHBondContact O-CG 3.48Å; Q820-R824 PolarHBondContact O-N 3.5Å; Q820-R824 VanDerWaalsContact O-N 3.13Å; Q820-R824 PolarHBondContact O-NH1 3.44Å |
| 821 | A | 86.9 | Confident | 87.4 | Confident | 48 Ų | 48 | 100.2 Ų | 100.2 | 40% | 0.397 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -73.1 | -39.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q817 L818 L819 K825 | Q817-A821 WeakPolarHBondContact O-CB 3.48Å; Q817-A821 PolarHBondContact O-N 3.43Å; L818-A821 PolarHBondContact O-N 2.83Å; L819-A821 VanDerWaalsContact C-N 3.3Å; L819-A821 PolarHBondContact O-N 2.83Å; A821-K825 PolarHBondContact O-N 3.26Å; A821-K825 VanDerWaalsContact O-N 3.12Å |
| 822 | A | 86.1 | Confident | 87.4 | Confident | 57 Ų | 57 | 100.4 Ų | 100.4 | 47% | 0.471 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.5 | -45.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L818 L819 K825 Q826 | L818-A822 WeakPolarHBondContact O-CB 3.41Å; L818-A822 PolarHBondContact O-N 2.91Å; L819-A822 PolarHBondContact O-N 2.78Å; A822-K825 PolarHBondContact O-N 3.44Å; A822-Q826 PolarHBondContact O-N 2.9Å |
| 823 | L | 86.1 | Confident | 87.4 | Confident | 80 Ų | 80 | 98.5 Ų | 98.5 | 42% | 0.419 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 176 | -73.4 | 168.4 | 0 | 0 | 0 | 111.9 | L819 K825 Q826 D827 | L819-L823 HydrophobicContact CD1-CD1 4.39Å; L819-L823 HydrophobicContact CD1-CG 4.47Å; L819-L823 HydrophobicContact CG-CD1 4.17Å; L819-L823 WeakPolarHBondContact O-CB 3.31Å; L819-L823 WeakPolarHBondContact O-CG 3.34Å; L819-L823 PolarHBondContact O-N 3.07Å; L823-K825 VanDerWaalsContact C-N 3.29Å; L823-K825 PolarHBondContact O-N 2.71Å; L823-Q826 WeakPolarHBondContact O-CA 3.45Å; L823-Q826 WeakPolarHBondContact O-CB 3.24Å; L823-Q826 PolarHBondContact O-N 2.81Å; L823-D827 PolarHBondContact O-N 3.28Å |
| 824 | R | 88.9 | Confident | 87.4 | Confident | 149 Ų | 149 | 96.7 Ų | 96.7 | 56% | 0.562 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.8 | -39.1 | 175.5 | -75.4 | -178.7 | -165.7 | 97.8 | 5.6 | 112.6 | Q820 Q826 D827 E828 | Q820-R824 WeakPolarHBondContact O-CB 3.43Å; Q820-R824 VanDerWaalsContact O-CG 3.31Å; Q820-R824 WeakPolarHBondContact O-CG 3.48Å; Q820-R824 PolarHBondContact O-N 3.5Å; Q820-R824 VanDerWaalsContact O-N 3.13Å; Q820-R824 PolarHBondContact O-NH1 3.44Å; R824-Q826 VanDerWaalsContact C-N 3.34Å; R824-D827 PolarHBondContact O-N 3.02Å; R824-E828 VanDerWaalsContact O-CB 3.24Å; R824-E828 WeakPolarHBondContact O-CB 3.28Å; R824-E828 PolarHBondContact O-N 3.5Å |
| 825 | K | 88.8 | Confident | 87.4 | Confident | 135 Ų | 135 | 95.2 Ų | 95.2 | 59% | 0.587 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -67.4 | -33.2 | 173.4 | -76.8 | -169.5 | 170.2 | -162.4 | 0 | 113.1 | A821 A822 L823 M829 | A821-K825 PolarHBondContact O-N 3.26Å; A821-K825 VanDerWaalsContact O-N 3.12Å; A822-K825 PolarHBondContact O-N 3.44Å; L823-K825 VanDerWaalsContact C-N 3.29Å; L823-K825 PolarHBondContact O-N 2.71Å; K825-M829 WeakPolarHBondContact O-CB 3.23Å; K825-M829 WeakPolarHBondContact O-CE 3.21Å; K825-M829 VanDerWaalsContact O-CG 3.3Å; K825-M829 WeakPolarHBondContact O-CG 3.17Å; K825-M829 PolarHBondContact O-N 2.86Å |
| 826 | Q | 85.6 | Confident | 87.2 | Confident | 122 Ų | 122 | 92.6 Ų | 92.6 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.9 | -41.8 | 174.7 | -173.2 | 175.8 | -3.7 | 0 | 0 | 111.2 | A822 L823 R824 A830 | A822-Q826 PolarHBondContact O-N 2.9Å; L823-Q826 WeakPolarHBondContact O-CA 3.45Å; L823-Q826 WeakPolarHBondContact O-CB 3.24Å; L823-Q826 PolarHBondContact O-N 2.81Å; R824-Q826 VanDerWaalsContact C-N 3.34Å; Q826-A830 VanDerWaalsContact O-CB 3.29Å; Q826-A830 WeakPolarHBondContact O-CB 3.33Å; Q826-A830 PolarHBondContact O-N 3.44Å |
| 827 | D | 88.2 | Confident | 87.2 | Confident | 100 Ų | 100 | 99.4 Ų | 99.4 | 54% | 0.535 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.5 | -41.8 | 173.5 | -62.8 | -34.4 | 0 | 0 | 0 | 111.5 | L823 R824 A830 L831 | L823-D827 PolarHBondContact O-N 3.28Å; R824-D827 PolarHBondContact O-N 3.02Å; D827-A830 PolarHBondContact O-N 2.89Å; D827-L831 WeakPolarHBondContact O-CG 3.44Å; D827-L831 PolarHBondContact O-N 3.2Å |
| 828 | E | 88.3 | Confident | 87.2 | Confident | 112 Ų | 112 | 97.9 Ų | 97.9 | 52% | 0.523 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.7 | -52.9 | 176.4 | -171.7 | 168 | -133.1 | 0 | 0 | 111.4 | R824 A830 L831 E832 | R824-E828 VanDerWaalsContact O-CB 3.24Å; R824-E828 WeakPolarHBondContact O-CB 3.28Å; R824-E828 PolarHBondContact O-N 3.5Å; E828-A830 VanDerWaalsContact C-N 3.27Å; E828-A830 PolarHBondContact O-N 3.05Å; E828-L831 PolarHBondContact O-N 3.15Å; E828-L831 VanDerWaalsContact O-N 3.15Å; E828-E832 WeakPolarHBondContact O-CG 3.36Å; E828-E832 PolarHBondContact O-N 3.22Å |
| 829 | M | 85.3 | Confident | 87.1 | Confident | 114 Ų | 114 | 98.9 Ų | 98.9 | 56% | 0.562 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.7 | -31.7 | 174.3 | -70.3 | -176.7 | -59.7 | 0 | 0 | 113 | K825 A833 | K825-M829 WeakPolarHBondContact O-CB 3.23Å; K825-M829 WeakPolarHBondContact O-CE 3.21Å; K825-M829 VanDerWaalsContact O-CG 3.3Å; K825-M829 WeakPolarHBondContact O-CG 3.17Å; K825-M829 PolarHBondContact O-N 2.86Å; M829-A833 VanDerWaalsContact O-CB 3.27Å; M829-A833 WeakPolarHBondContact O-CB 3.5Å; M829-A833 PolarHBondContact O-N 3.11Å |
| 830 | A | 85.6 | Confident | 86.8 | Confident | 59 Ų | 59 | 96.5 Ų | 96.5 | 49% | 0.488 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70.7 | -35.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q826 D827 E828 A834 | Q826-A830 VanDerWaalsContact O-CB 3.29Å; Q826-A830 WeakPolarHBondContact O-CB 3.33Å; Q826-A830 PolarHBondContact O-N 3.44Å; D827-A830 PolarHBondContact O-N 2.89Å; E828-A830 VanDerWaalsContact C-N 3.27Å; E828-A830 PolarHBondContact O-N 3.05Å; A830-A834 WeakPolarHBondContact O-CB 3.45Å; A830-A834 PolarHBondContact O-N 2.81Å |
| 831 | L | 89.8 | Confident | 86.9 | Confident | 127 Ų | 127 | 100.6 Ų | 100.6 | 67% | 0.665 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -70.6 | -43.3 | 173.1 | -71.5 | 168.4 | 0 | 0 | 0 | 111.8 | D827 E828 A833 A834 D835 | D827-L831 WeakPolarHBondContact O-CG 3.44Å; D827-L831 PolarHBondContact O-N 3.2Å; E828-L831 PolarHBondContact O-N 3.15Å; E828-L831 VanDerWaalsContact O-N 3.15Å; L831-A833 VanDerWaalsContact C-N 3.33Å; L831-A833 PolarHBondContact O-N 3.44Å; L831-A834 PolarHBondContact O-N 3.42Å; L831-D835 WeakPolarHBondContact O-CB 3.44Å; L831-D835 PolarHBondContact O-N 3.02Å |
| 832 | E | 88.7 | Confident | 87.1 | Confident | 125 Ų | 125 | 101.6 Ų | 101.6 | 58% | 0.584 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59 | -43.8 | 173 | -70.9 | 179.7 | 158 | 0 | 0 | 111.5 | E828 D835 A836 | E828-E832 WeakPolarHBondContact O-CG 3.36Å; E828-E832 PolarHBondContact O-N 3.22Å; E832-D835 PolarHBondContact O-N 3.16Å; E832-A836 WeakPolarHBondContact O-CB 3.35Å; E832-A836 PolarHBondContact O-N 2.76Å |
| 833 | A | 83.9 | Confident | 86.9 | Confident | 48 Ų | 48 | 102.4 Ų | 102.4 | 40% | 0.397 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.1 | -39.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | M829 L831 A836 W837 | M829-A833 VanDerWaalsContact O-CB 3.27Å; M829-A833 WeakPolarHBondContact O-CB 3.5Å; M829-A833 PolarHBondContact O-N 3.11Å; L831-A833 VanDerWaalsContact C-N 3.33Å; L831-A833 PolarHBondContact O-N 3.44Å; A833-A836 PolarHBondContact O-N 3.02Å; A833-W837 WeakPolarHBondContact O-CB 3.47Å; A833-W837 VanDerWaalsContact O-CD1 3.25Å; A833-W837 PolarHBondContact O-N 2.88Å |
| 834 | A | 87.1 | Confident | 87 | Confident | 57 Ų | 57 | 106.4 Ų | 106.4 | 47% | 0.471 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.4 | -42.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A830 L831 W837 Q838 | A830-A834 WeakPolarHBondContact O-CB 3.45Å; A830-A834 PolarHBondContact O-N 2.81Å; L831-A834 PolarHBondContact O-N 3.42Å; A834-W837 PolarHBondContact O-N 3.18Å; A834-Q838 WeakPolarHBondContact O-CB 3.41Å; A834-Q838 PolarHBondContact O-N 3.33Å |
| 835 | D | 87.8 | Confident | 87 | Confident | 78 Ų | 78 | 101.8 Ų | 101.8 | 42% | 0.417 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64 | -42.7 | 173.9 | 170.9 | 68.6 | 0 | 0 | 0 | 111.8 | L831 E832 W837 Q838 K839 | L831-D835 WeakPolarHBondContact O-CB 3.44Å; L831-D835 PolarHBondContact O-N 3.02Å; E832-D835 PolarHBondContact O-N 3.16Å; D835-W837 PolarHBondContact O-N 3.03Å; D835-Q838 PolarHBondContact O-N 3.39Å; D835-K839 VanDerWaalsContact CG-NZ 3.27Å; D835-K839 WeakPolarHBondContact O-CB 3.25Å; D835-K839 WeakPolarHBondContact O-CG 3.17Å; D835-K839 PolarHBondContact O-N 3.11Å; D835-K839 WeakPolarHBondContact OD1-CE 3.18Å; D835-K839 IonicContact OD1-NZ 2.73Å; D835-K839 PolarHBondContact OD1-NZ 3.07Å; D835-K839 VanDerWaalsContact OD1-NZ 3.1Å; D835-K839 WeakPolarHBondContact OD2-CE 3.23Å; D835-K839 IonicContact OD2-NZ 3.21Å; D835-K839 PolarHBondContact OD2-NZ 2.93Å |
| 836 | A | 83.4 | Confident | 86.9 | Confident | 55 Ų | 55 | 101.3 Ų | 101.3 | 46% | 0.455 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.8 | -41.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E832 A833 A840 | E832-A836 WeakPolarHBondContact O-CB 3.35Å; E832-A836 PolarHBondContact O-N 2.76Å; A833-A836 PolarHBondContact O-N 3.02Å; A836-A840 VanDerWaalsContact O-CB 3.3Å; A836-A840 WeakPolarHBondContact O-CB 3.25Å; A836-A840 PolarHBondContact O-N 3.16Å |
| 837 | W | 88.2 | Confident | 86.9 | Confident | 206 Ų | 206 | 103.7 Ų | 103.7 | 78% | 0.78 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.3 | -40.3 | 174.1 | -92.4 | 105.9 | 0 | 0 | 0 | 112.7 | A833 A834 D835 A840 R841 | A833-W837 WeakPolarHBondContact O-CB 3.47Å; A833-W837 VanDerWaalsContact O-CD1 3.25Å; A833-W837 PolarHBondContact O-N 2.88Å; A834-W837 PolarHBondContact O-N 3.18Å; D835-W837 PolarHBondContact O-N 3.03Å; W837-A840 PolarHBondContact O-N 3.16Å; W837-R841 WeakPolarHBondContact O-CB 3.38Å; W837-R841 PolarHBondContact O-N 3.18Å |
| 838 | Q | 87.1 | Confident | 86.9 | Confident | 93 Ų | 93 | 103.9 Ų | 103.9 | 44% | 0.435 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.4 | -48.4 | 176.7 | -176.6 | 56.7 | 36.9 | 0 | 0 | 110.7 | A834 D835 A840 R841 D842 | A834-Q838 WeakPolarHBondContact O-CB 3.41Å; A834-Q838 PolarHBondContact O-N 3.33Å; D835-Q838 PolarHBondContact O-N 3.39Å; Q838-A840 VanDerWaalsContact C-N 3.3Å; Q838-A840 PolarHBondContact O-N 3.39Å; Q838-R841 WeakPolarHBondContact O-CA 3.47Å; Q838-R841 WeakPolarHBondContact O-CB 3.31Å; Q838-R841 PolarHBondContact O-N 2.97Å; Q838-D842 PolarHBondContact NE2-OD1 2.81Å; Q838-D842 PolarHBondContact NE2-OD2 3.48Å; Q838-D842 VanDerWaalsContact O-CG 3.29Å; Q838-D842 PolarHBondContact O-N 2.77Å |
| 839 | K | 89.8 | Confident | 87 | Confident | 114 Ų | 114 | 101.2 Ų | 101.2 | 50% | 0.496 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -57.9 | -39.9 | 173.9 | -74.3 | 167.3 | 176.7 | 165.3 | 0 | 112.5 | D835 D842 N843 | D835-K839 VanDerWaalsContact CG-NZ 3.27Å; D835-K839 WeakPolarHBondContact O-CB 3.25Å; D835-K839 WeakPolarHBondContact O-CG 3.17Å; D835-K839 PolarHBondContact O-N 3.11Å; D835-K839 WeakPolarHBondContact OD1-CE 3.18Å; D835-K839 IonicContact OD1-NZ 2.73Å; D835-K839 PolarHBondContact OD1-NZ 3.07Å; D835-K839 VanDerWaalsContact OD1-NZ 3.1Å; D835-K839 WeakPolarHBondContact OD2-CE 3.23Å; D835-K839 IonicContact OD2-NZ 3.21Å; D835-K839 PolarHBondContact OD2-NZ 2.93Å; K839-D842 PolarHBondContact O-N 3.01Å; K839-N843 VanDerWaalsContact O-CB 3.31Å; K839-N843 WeakPolarHBondContact O-CB 3.49Å; K839-N843 PolarHBondContact O-N 2.91Å; K839-N843 PolarHBondContact O-ND2 3.23Å |
| 840 | A | 80.9 | Confident | 87.1 | Confident | 57 Ų | 57 | 100.8 Ų | 100.8 | 47% | 0.471 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67 | -35.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | A836 W837 Q838 R844 | A836-A840 VanDerWaalsContact O-CB 3.3Å; A836-A840 WeakPolarHBondContact O-CB 3.25Å; A836-A840 PolarHBondContact O-N 3.16Å; W837-A840 PolarHBondContact O-N 3.16Å; Q838-A840 VanDerWaalsContact C-N 3.3Å; Q838-A840 PolarHBondContact O-N 3.39Å; A840-R844 PolarHBondContact O-N 2.93Å |
| 841 | R | 88.9 | Confident | 87.2 | Confident | 177 Ų | 177 | 104.1 Ų | 104.1 | 67% | 0.668 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.7 | -45.4 | 173.6 | 179.8 | -177.7 | -177.8 | 128.8 | 7.2 | 111.8 | W837 Q838 R844 A845 | W837-R841 WeakPolarHBondContact O-CB 3.38Å; W837-R841 PolarHBondContact O-N 3.18Å; Q838-R841 WeakPolarHBondContact O-CA 3.47Å; Q838-R841 WeakPolarHBondContact O-CB 3.31Å; Q838-R841 PolarHBondContact O-N 2.97Å; R841-R844 WeakPolarHBondContact O-CB 3.45Å; R841-R844 PolarHBondContact O-N 3.34Å; R841-R844 VanDerWaalsContact O-N 3.1Å; R841-A845 PolarHBondContact O-N 2.93Å |
| 842 | D | 89.9 | Confident | 87.2 | Confident | 68 Ų | 68 | 105.2 Ų | 105.2 | 36% | 0.364 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.4 | -41 | -177.8 | -61.7 | -26.6 | 0 | 0 | 0 | 110.6 | Q838 K839 R844 A845 E846 | Q838-D842 PolarHBondContact NE2-OD1 2.81Å; Q838-D842 PolarHBondContact NE2-OD2 3.48Å; Q838-D842 VanDerWaalsContact O-CG 3.29Å; Q838-D842 PolarHBondContact O-N 2.77Å; K839-D842 PolarHBondContact O-N 3.01Å; D842-R844 PolarHBondContact O-N 3.05Å; D842-A845 PolarHBondContact O-N 3.37Å; D842-A845 VanDerWaalsContact O-N 3.12Å; D842-E846 WeakPolarHBondContact O-CG 3.44Å; D842-E846 PolarHBondContact O-N 3.2Å |
| 843 | N | 83.4 | Confident | 87.3 | Confident | 74 Ų | 74 | 103.7 Ų | 103.7 | 40% | 0.396 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.7 | -29.8 | 169 | -88.7 | -97 | 0 | 0 | 0 | 113.4 | K839 R847 | K839-N843 VanDerWaalsContact O-CB 3.31Å; K839-N843 WeakPolarHBondContact O-CB 3.49Å; K839-N843 PolarHBondContact O-N 2.91Å; K839-N843 PolarHBondContact O-ND2 3.23Å; N843-R847 VanDerWaalsContact O-CD 3.32Å; N843-R847 WeakPolarHBondContact O-CD 3.22Å; N843-R847 WeakPolarHBondContact O-CG 3.5Å; N843-R847 PolarHBondContact O-N 3.36Å |
| 844 | R | 88 | Confident | 87.5 | Confident | 165 Ų | 165 | 106.8 Ų | 106.8 | 62% | 0.623 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -72.1 | -48.4 | 172.8 | 167.8 | 178 | -78.7 | -176 | -4.4 | 110.6 | A840 R841 D842 E846 R847 E848 | A840-R844 PolarHBondContact O-N 2.93Å; R841-R844 WeakPolarHBondContact O-CB 3.45Å; R841-R844 PolarHBondContact O-N 3.34Å; R841-R844 VanDerWaalsContact O-N 3.1Å; D842-R844 PolarHBondContact O-N 3.05Å; R844-E846 VanDerWaalsContact C-N 3.31Å; R844-E846 PolarHBondContact O-N 3.45Å; R844-R847 PolarHBondContact O-N 2.9Å; R844-R847 VanDerWaalsContact O-N 3.12Å; R844-E848 VanDerWaalsContact CD-OE1 3.22Å; R844-E848 WeakPolarHBondContact CD-OE1 3.35Å; R844-E848 VanDerWaalsContact CG-CD 3.45Å; R844-E848 HydrophobicContact CG-CG 4.28Å; R844-E848 WeakPolarHBondContact CG-OE1 3.48Å; R844-E848 IonicContact NE-OE1 3.16Å; R844-E848 WeakPolarHBondContact O-CG 3.31Å; R844-E848 PolarHBondContact O-N 3.04Å |
| 845 | A | 88.3 | Confident | 87.7 | Confident | 52 Ų | 52 | 108.1 Ų | 108.1 | 43% | 0.43 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.8 | -39.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | R841 D842 E848 A849 | R841-A845 PolarHBondContact O-N 2.93Å; D842-A845 PolarHBondContact O-N 3.37Å; D842-A845 VanDerWaalsContact O-N 3.12Å; A845-E848 PolarHBondContact O-N 3.38Å; A845-A849 WeakPolarHBondContact O-CB 3.27Å; A845-A849 PolarHBondContact O-N 2.93Å |
| 846 | E | 87.3 | Confident | 87.8 | Confident | 124 Ų | 124 | 107.1 Ų | 107.1 | 58% | 0.579 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.4 | -42 | 173.2 | -73.3 | 179.5 | 177 | 0 | 0 | 112.3 | D842 R844 A849 L850 | D842-E846 WeakPolarHBondContact O-CG 3.44Å; D842-E846 PolarHBondContact O-N 3.2Å; R844-E846 VanDerWaalsContact C-N 3.31Å; R844-E846 PolarHBondContact O-N 3.45Å; E846-A849 PolarHBondContact O-N 3.36Å; E846-L850 WeakPolarHBondContact O-CB 3.4Å; E846-L850 VanDerWaalsContact O-CG 3.24Å; E846-L850 WeakPolarHBondContact O-CG 3.39Å; E846-L850 PolarHBondContact O-N 2.86Å |
| 847 | R | 84.5 | Confident | 87.9 | Confident | 172 Ų | 172 | 108.9 Ų | 108.9 | 65% | 0.649 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.7 | -40.3 | 176.2 | -71.9 | 168.4 | -168.2 | -170.9 | 3.6 | 112.3 | N843 R844 L850 Q851 | N843-R847 VanDerWaalsContact O-CD 3.32Å; N843-R847 WeakPolarHBondContact O-CD 3.22Å; N843-R847 WeakPolarHBondContact O-CG 3.5Å; N843-R847 PolarHBondContact O-N 3.36Å; R844-R847 PolarHBondContact O-N 2.9Å; R844-R847 VanDerWaalsContact O-N 3.12Å; R847-L850 PolarHBondContact O-N 2.92Å; R847-Q851 WeakPolarHBondContact O-CB 3.34Å; R847-Q851 PolarHBondContact O-N 2.86Å |
| 848 | E | 89.1 | Confident | 87.9 | Confident | 105 Ų | 105 | 103.9 Ų | 103.9 | 49% | 0.491 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.9 | -45.8 | 176.4 | -73 | 165.1 | 179.7 | 0 | 0 | 110.4 | R844 A845 L850 Q851 E852 | R844-E848 VanDerWaalsContact CD-OE1 3.22Å; R844-E848 WeakPolarHBondContact CD-OE1 3.35Å; R844-E848 VanDerWaalsContact CG-CD 3.45Å; R844-E848 HydrophobicContact CG-CG 4.28Å; R844-E848 WeakPolarHBondContact CG-OE1 3.48Å; R844-E848 IonicContact NE-OE1 3.16Å; R844-E848 WeakPolarHBondContact O-CG 3.31Å; R844-E848 PolarHBondContact O-N 3.04Å; A845-E848 PolarHBondContact O-N 3.38Å; E848-L850 PolarHBondContact O-N 3.28Å; E848-Q851 PolarHBondContact O-N 3.41Å; E848-E852 PolarHBondContact O-N 2.86Å |
| 849 | A | 90 | Very high | 88.1 | Confident | 56 Ų | 56 | 105.3 Ų | 105.3 | 46% | 0.463 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64 | -39.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | A845 E846 Q851 E852 L853 | A845-A849 WeakPolarHBondContact O-CB 3.27Å; A845-A849 PolarHBondContact O-N 2.93Å; E846-A849 PolarHBondContact O-N 3.36Å; A849-Q851 VanDerWaalsContact C-N 3.33Å; A849-E852 PolarHBondContact O-N 2.85Å; A849-L853 WeakPolarHBondContact O-CB 3.42Å; A849-L853 PolarHBondContact O-N 3.26Å |
| 850 | L | 88 | Confident | 88.1 | Confident | 105 Ų | 105 | 105.5 Ų | 105.5 | 55% | 0.55 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.6 | -36.4 | 173.3 | -74.7 | 169.5 | 0 | 0 | 0 | 111.9 | E846 R847 E848 L853 L854 | E846-L850 WeakPolarHBondContact O-CB 3.4Å; E846-L850 VanDerWaalsContact O-CG 3.24Å; E846-L850 WeakPolarHBondContact O-CG 3.39Å; E846-L850 PolarHBondContact O-N 2.86Å; R847-L850 PolarHBondContact O-N 2.92Å; E848-L850 PolarHBondContact O-N 3.28Å; L850-L853 PolarHBondContact O-N 3.11Å; L850-L854 WeakPolarHBondContact O-CG 3.35Å; L850-L854 PolarHBondContact O-N 3.05Å |
| 851 | Q | 87.1 | Confident | 88.2 | Confident | 128 Ų | 128 | 107.6 Ų | 107.6 | 60% | 0.598 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.4 | -40.2 | 175.8 | -172.8 | 169.8 | -4.1 | 0 | 0 | 111.7 | R847 E848 A849 L854 M855 | R847-Q851 WeakPolarHBondContact O-CB 3.34Å; R847-Q851 PolarHBondContact O-N 2.86Å; E848-Q851 PolarHBondContact O-N 3.41Å; A849-Q851 VanDerWaalsContact C-N 3.33Å; Q851-L854 PolarHBondContact O-N 2.85Å; Q851-M855 WeakPolarHBondContact O-CB 3.42Å; Q851-M855 VanDerWaalsContact O-CG 3.26Å; Q851-M855 WeakPolarHBondContact O-CG 3.39Å; Q851-M855 PolarHBondContact O-N 3.28Å |
| 852 | E | 89.7 | Confident | 88.4 | Confident | 150 Ų | 150 | 104.3 Ų | 104.3 | 70% | 0.701 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.8 | -41.6 | 172 | -70.8 | -164.7 | 150.2 | 0 | 0 | 112.3 | E848 A849 M855 S856 | E848-E852 PolarHBondContact O-N 2.86Å; A849-E852 PolarHBondContact O-N 2.85Å; E852-M855 PolarHBondContact O-N 3.41Å; E852-S856 PolarHBondContact O-N 3.42Å |
| 853 | L | 91.5 | Very high | 88.5 | Confident | 94 Ų | 94 | 104.3 Ų | 104.3 | 49% | 0.492 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.2 | -44.7 | 175.7 | -175.7 | 66.5 | 0 | 0 | 0 | 111.8 | A849 L850 S856 Q857 | A849-L853 WeakPolarHBondContact O-CB 3.42Å; A849-L853 PolarHBondContact O-N 3.26Å; L850-L853 PolarHBondContact O-N 3.11Å; L853-S856 WeakPolarHBondContact O-CB 3.45Å; L853-S856 PolarHBondContact O-N 2.94Å; L853-Q857 WeakPolarHBondContact O-CG 3.5Å; L853-Q857 PolarHBondContact O-N 3.48Å |
| 854 | L | 88.7 | Confident | 88.8 | Confident | 112 Ų | 112 | 105.6 Ų | 105.6 | 59% | 0.586 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.7 | -46.2 | 174.8 | -74.3 | 168.6 | 0 | 0 | 0 | 111.5 | L850 Q851 S856 Q857 E858 | L850-L854 WeakPolarHBondContact O-CG 3.35Å; L850-L854 PolarHBondContact O-N 3.05Å; Q851-L854 PolarHBondContact O-N 2.85Å; L854-S856 PolarHBondContact O-N 3.28Å; L854-Q857 PolarHBondContact O-N 2.97Å; L854-E858 WeakPolarHBondContact O-CB 3.48Å; L854-E858 PolarHBondContact O-N 2.96Å |
| 855 | M | 89.5 | Confident | 88.9 | Confident | 86 Ų | 86 | 101.4 Ų | 101.4 | 42% | 0.424 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.7 | -24.5 | 175.9 | -70.2 | -60.3 | -58.3 | 0 | 0 | 113 | Q851 E852 K859 | Q851-M855 WeakPolarHBondContact O-CB 3.42Å; Q851-M855 VanDerWaalsContact O-CG 3.26Å; Q851-M855 WeakPolarHBondContact O-CG 3.39Å; Q851-M855 PolarHBondContact O-N 3.28Å; E852-M855 PolarHBondContact O-N 3.41Å; M855-K859 VanDerWaalsContact O-CD 3.23Å; M855-K859 WeakPolarHBondContact O-CD 3.43Å; M855-K859 WeakPolarHBondContact O-CE 3.49Å; M855-K859 VanDerWaalsContact O-CG 3.24Å; M855-K859 WeakPolarHBondContact O-CG 3.42Å |
| 856 | S | 90.1 | Very high | 89 | Confident | 57 Ų | 57 | 101.9 Ų | 101.9 | 40% | 0.399 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -75.7 | -49.8 | 171.5 | -162.9 | 0 | 0 | 0 | 0 | 111.2 | E852 L853 L854 E858 K859 E860 | E852-S856 PolarHBondContact O-N 3.42Å; L853-S856 WeakPolarHBondContact O-CB 3.45Å; L853-S856 PolarHBondContact O-N 2.94Å; L854-S856 PolarHBondContact O-N 3.28Å; S856-E858 VanDerWaalsContact C-N 3.3Å; S856-E858 PolarHBondContact O-N 3.4Å; S856-K859 PolarHBondContact O-N 3.04Å; S856-E860 PolarHBondContact O-N 3.47Å |
| 857 | Q | 86.1 | Confident | 89.2 | Confident | 92 Ų | 92 | 101.6 Ų | 101.6 | 43% | 0.43 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.6 | -34.9 | 177.8 | -71.3 | -177.5 | 0.8 | 0 | 0 | 112.5 | L853 L854 E860 N861 | L853-Q857 WeakPolarHBondContact O-CG 3.5Å; L853-Q857 PolarHBondContact O-N 3.48Å; L854-Q857 PolarHBondContact O-N 2.97Å; Q857-E860 PolarHBondContact O-N 3.03Å; Q857-N861 WeakPolarHBondContact O-CB 3.4Å; Q857-N861 PolarHBondContact O-N 3.32Å; Q857-N861 PolarHBondContact O-ND2 3.32Å |
| 858 | E | 88.3 | Confident | 89.4 | Confident | 100 Ų | 100 | 98.2 Ų | 98.2 | 47% | 0.467 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.4 | -45.1 | 175.6 | -158.6 | -163.1 | 146.3 | 0 | 0 | 111 | L854 S856 E860 N861 Q862 | L854-E858 WeakPolarHBondContact O-CB 3.48Å; L854-E858 PolarHBondContact O-N 2.96Å; S856-E858 VanDerWaalsContact C-N 3.3Å; S856-E858 PolarHBondContact O-N 3.4Å; E858-E860 VanDerWaalsContact C-N 3.34Å; E858-E860 PolarHBondContact O-N 2.96Å; E858-N861 PolarHBondContact O-N 3.35Å; E858-Q862 VanDerWaalsContact O-CG 3.28Å; E858-Q862 WeakPolarHBondContact O-CG 3.36Å; E858-Q862 PolarHBondContact O-N 2.96Å; E858-Q862 PolarHBondContact OE1-NE2 2.89Å |
| 859 | K | 91.5 | Very high | 89.4 | Confident | 124 Ų | 124 | 95.7 Ų | 95.7 | 54% | 0.539 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60 | -43.1 | 174.5 | -70.8 | 165.3 | -169.2 | 163.8 | 0 | 111.6 | M855 S856 Q862 T863 | M855-K859 VanDerWaalsContact O-CD 3.23Å; M855-K859 WeakPolarHBondContact O-CD 3.43Å; M855-K859 WeakPolarHBondContact O-CE 3.49Å; M855-K859 VanDerWaalsContact O-CG 3.24Å; M855-K859 WeakPolarHBondContact O-CG 3.42Å; S856-K859 PolarHBondContact O-N 3.04Å; K859-Q862 PolarHBondContact O-N 3.28Å; K859-T863 WeakPolarHBondContact O-CG2 3.4Å; K859-T863 PolarHBondContact O-N 3.15Å |
| 860 | E | 90.2 | Very high | 89.5 | Confident | 117 Ų | 117 | 98.6 Ų | 98.6 | 55% | 0.547 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.3 | -49.5 | 175.4 | -72.9 | -176.2 | 176 | 0 | 0 | 111.3 | S856 Q857 E858 Q862 T863 L864 | S856-E860 PolarHBondContact O-N 3.47Å; Q857-E860 PolarHBondContact O-N 3.03Å; E858-E860 VanDerWaalsContact C-N 3.34Å; E858-E860 PolarHBondContact O-N 2.96Å; E860-Q862 PolarHBondContact O-N 2.61Å; E860-T863 PolarHBondContact O-N 3.02Å; E860-T863 VanDerWaalsContact O-N 3.11Å; E860-T863 PolarHBondContact O-OG1 3.46Å; E860-L864 WeakPolarHBondContact O-CG 3.34Å; E860-L864 PolarHBondContact O-N 3.19Å |
| 861 | N | 82.9 | Confident | 89.4 | Confident | 102 Ų | 102 | 96 Ų | 96 | 55% | 0.545 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.1 | -41.2 | 175.6 | -80.4 | -66.7 | 0 | 0 | 0 | 112.8 | Q857 E858 T863 L864 S865 | Q857-N861 WeakPolarHBondContact O-CB 3.4Å; Q857-N861 PolarHBondContact O-N 3.32Å; Q857-N861 PolarHBondContact O-ND2 3.32Å; E858-N861 PolarHBondContact O-N 3.35Å; N861-T863 PolarHBondContact O-N 2.96Å; N861-L864 PolarHBondContact O-N 3.01Å; N861-S865 WeakPolarHBondContact O-CB 3.39Å; N861-S865 PolarHBondContact O-N 3.41Å |
| 862 | Q | 91.9 | Very high | 89.4 | Confident | 108 Ų | 108 | 95.3 Ų | 95.3 | 51% | 0.505 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.5 | -43.1 | 173.8 | -70.9 | 173 | 13.3 | 0 | 0 | 111.4 | E858 K859 E860 S865 S866 | E858-Q862 VanDerWaalsContact O-CG 3.28Å; E858-Q862 WeakPolarHBondContact O-CG 3.36Å; E858-Q862 PolarHBondContact O-N 2.96Å; E858-Q862 PolarHBondContact OE1-NE2 2.89Å; K859-Q862 PolarHBondContact O-N 3.28Å; E860-Q862 PolarHBondContact O-N 2.61Å; Q862-S865 PolarHBondContact O-N 2.9Å; Q862-S866 PolarHBondContact O-N 3.31Å |
| 863 | T | 92.7 | Very high | 89.5 | Confident | 68 Ų | 68 | 93.1 Ų | 93.1 | 42% | 0.417 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.2 | -33 | 176 | 72.3 | 0 | 0 | 0 | 0 | 113.5 | K859 E860 N861 K867 | K859-T863 WeakPolarHBondContact O-CG2 3.4Å; K859-T863 PolarHBondContact O-N 3.15Å; E860-T863 PolarHBondContact O-N 3.02Å; E860-T863 VanDerWaalsContact O-N 3.11Å; E860-T863 PolarHBondContact O-OG1 3.46Å; N861-T863 PolarHBondContact O-N 2.96Å; T863-K867 WeakPolarHBondContact O-CD 3.36Å; T863-K867 VanDerWaalsContact O-CG 3.27Å; T863-K867 WeakPolarHBondContact O-CG 3.31Å; T863-K867 PolarHBondContact O-N 3.01Å; T863-K867 VanDerWaalsContact O-N 3.13Å |
| 864 | L | 90 | Very high | 89.4 | Confident | 101 Ų | 101 | 90.7 Ų | 90.7 | 53% | 0.529 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.6 | -38.3 | 174.9 | -69.7 | 172.9 | 0 | 0 | 0 | 111 | E860 N861 K867 L868 | E860-L864 WeakPolarHBondContact O-CG 3.34Å; E860-L864 PolarHBondContact O-N 3.19Å; N861-L864 PolarHBondContact O-N 3.01Å; L864-K867 PolarHBondContact O-N 2.93Å; L864-L868 WeakPolarHBondContact O-CB 3.27Å; L864-L868 PolarHBondContact O-N 3.1Å |
| 865 | S | 88.9 | Confident | 89.2 | Confident | 77 Ų | 77 | 88.8 Ų | 88.8 | 54% | 0.538 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 173.5 | -169.3 | 0 | 0 | 0 | 0 | 112 | N861 Q862 K867 L868 A869 | N861-S865 WeakPolarHBondContact O-CB 3.39Å; N861-S865 PolarHBondContact O-N 3.41Å; Q862-S865 PolarHBondContact O-N 2.9Å; S865-K867 PolarHBondContact O-N 3.39Å; S865-L868 PolarHBondContact O-N 2.95Å; S865-A869 PolarHBondContact O-N 2.86Å |
| 866 | S | 91.5 | Very high | 89.1 | Confident | 62 Ų | 62 | 87.7 Ų | 87.7 | 43% | 0.434 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -57.4 | -50.7 | 172.9 | -170 | 0 | 0 | 0 | 0 | 112 | Q862 L868 A869 E870 | Q862-S866 PolarHBondContact O-N 3.31Å; S866-L868 VanDerWaalsContact C-N 3.26Å; S866-L868 PolarHBondContact O-N 3.5Å; S866-A869 WeakPolarHBondContact O-CB 3.47Å; S866-A869 PolarHBondContact O-N 2.86Å; S866-A869 VanDerWaalsContact O-N 3.1Å; S866-E870 WeakPolarHBondContact O-CG 3.28Å; S866-E870 PolarHBondContact O-N 3.29Å; S866-E870 PolarHBondContact OG-OE1 3.24Å |
| 867 | K | 91.1 | Very high | 89.1 | Confident | 118 Ų | 118 | 90.8 Ų | 90.8 | 51% | 0.513 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.9 | -35.1 | 178.6 | -69.9 | 162.1 | -173 | 160.3 | 0 | 112.3 | T863 L864 S865 A871 | T863-K867 WeakPolarHBondContact O-CD 3.36Å; T863-K867 VanDerWaalsContact O-CG 3.27Å; T863-K867 WeakPolarHBondContact O-CG 3.31Å; T863-K867 PolarHBondContact O-N 3.01Å; T863-K867 VanDerWaalsContact O-N 3.13Å; L864-K867 PolarHBondContact O-N 2.93Å; S865-K867 PolarHBondContact O-N 3.39Å; K867-A871 VanDerWaalsContact O-CB 3.31Å; K867-A871 WeakPolarHBondContact O-CB 3.36Å; K867-A871 PolarHBondContact O-N 2.9Å |
| 868 | L | 87.7 | Confident | 89 | Confident | 101 Ų | 101 | 91.5 Ų | 91.5 | 53% | 0.529 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.3 | -41.6 | 175.3 | 179.7 | 60.8 | 0 | 0 | 0 | 111.5 | L864 S865 S866 A871 Q872 | L864-L868 WeakPolarHBondContact O-CB 3.27Å; L864-L868 PolarHBondContact O-N 3.1Å; S865-L868 PolarHBondContact O-N 2.95Å; S866-L868 VanDerWaalsContact C-N 3.26Å; S866-L868 PolarHBondContact O-N 3.5Å; L868-A871 PolarHBondContact O-N 3.13Å; L868-Q872 VanDerWaalsContact O-CG 3.28Å; L868-Q872 WeakPolarHBondContact O-CG 3.37Å; L868-Q872 PolarHBondContact O-N 2.91Å |
| 869 | A | 89.9 | Confident | 88.8 | Confident | 52 Ų | 52 | 92.1 Ų | 92.1 | 43% | 0.43 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.3 | -48 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S865 S866 A871 Q872 D873 | S865-A869 PolarHBondContact O-N 2.86Å; S866-A869 WeakPolarHBondContact O-CB 3.47Å; S866-A869 PolarHBondContact O-N 2.86Å; S866-A869 VanDerWaalsContact O-N 3.1Å; A869-A871 VanDerWaalsContact C-N 3.29Å; A869-A871 PolarHBondContact O-N 3.43Å; A869-Q872 PolarHBondContact O-N 2.94Å; A869-Q872 VanDerWaalsContact O-N 3.08Å; A869-D873 PolarHBondContact O-N 3.13Å |
| 870 | E | 91.2 | Very high | 88.6 | Confident | 117 Ų | 117 | 92 Ų | 92 | 55% | 0.547 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -56 | -41.7 | 174.8 | -69.9 | 163.5 | -130.3 | 0 | 0 | 112.1 | S866 A874 | S866-E870 WeakPolarHBondContact O-CG 3.28Å; S866-E870 PolarHBondContact O-N 3.29Å; S866-E870 PolarHBondContact OG-OE1 3.24Å; E870-A874 WeakPolarHBondContact O-CB 3.33Å; E870-A874 PolarHBondContact O-N 3.01Å |
| 871 | A | 86.9 | Confident | 88.4 | Confident | 49 Ų | 49 | 91.8 Ų | 91.8 | 41% | 0.405 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.8 | -37.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | K867 L868 A869 V875 | K867-A871 VanDerWaalsContact O-CB 3.31Å; K867-A871 WeakPolarHBondContact O-CB 3.36Å; K867-A871 PolarHBondContact O-N 2.9Å; L868-A871 PolarHBondContact O-N 3.13Å; A869-A871 VanDerWaalsContact C-N 3.29Å; A869-A871 PolarHBondContact O-N 3.43Å; A871-V875 WeakPolarHBondContact O-CB 3.5Å; A871-V875 WeakPolarHBondContact O-CG2 3.35Å; A871-V875 PolarHBondContact O-N 3.38Å |
| 872 | Q | 87 | Confident | 88.4 | Confident | 114 Ų | 114 | 91.4 Ų | 91.4 | 53% | 0.533 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.7 | -43.3 | 174.8 | -74.6 | 178.3 | 31.5 | 0 | 0 | 111.5 | L868 A869 V875 C876 | L868-Q872 VanDerWaalsContact O-CG 3.28Å; L868-Q872 WeakPolarHBondContact O-CG 3.37Å; L868-Q872 PolarHBondContact O-N 2.91Å; A869-Q872 PolarHBondContact O-N 2.94Å; A869-Q872 VanDerWaalsContact O-N 3.08Å; Q872-V875 CarbonylContact O-C 3.59Å; Q872-V875 PolarHBondContact O-N 3.08Å; Q872-C876 PolarHBondContact O-N 2.61Å; Q872-C876 PolarHBondContact O-SG 3.2Å; Q872-C876 VanDerWaalsContact O-SG 3.38Å |
| 873 | D | 91.9 | Very high | 88.1 | Confident | 104 Ų | 104 | 92.4 Ų | 92.4 | 56% | 0.556 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.1 | -43.3 | 175.3 | -87.1 | -11.9 | 0 | 0 | 0 | 112 | A869 V875 C876 Q877 | A869-D873 PolarHBondContact O-N 3.13Å; D873-V875 VanDerWaalsContact C-N 3.29Å; D873-V875 PolarHBondContact O-N 3.31Å; D873-C876 PolarHBondContact O-N 3.12Å; D873-C876 VanDerWaalsContact O-N 3.13Å; D873-Q877 WeakPolarHBondContact O-CG 3.31Å; D873-Q877 PolarHBondContact O-N 3.39Å |
| 874 | A | 89.8 | Confident | 87.8 | Confident | 44 Ų | 44 | 93.9 Ų | 93.9 | 36% | 0.364 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.4 | -40.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | E870 L878 | E870-A874 WeakPolarHBondContact O-CB 3.33Å; E870-A874 PolarHBondContact O-N 3.01Å; A874-L878 WeakPolarHBondContact O-CB 3.41Å; A874-L878 VanDerWaalsContact O-CG 3.29Å; A874-L878 WeakPolarHBondContact O-CG 3.44Å; A874-L878 PolarHBondContact O-N 3.21Å |
| 875 | V | 83.9 | Confident | 87.5 | Confident | 71 Ų | 71 | 93.1 Ų | 93.1 | 43% | 0.43 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.4 | -36.8 | 174.3 | 165.7 | 0 | 0 | 0 | 0 | 112 | A871 Q872 D873 L878 K879 | A871-V875 WeakPolarHBondContact O-CB 3.5Å; A871-V875 WeakPolarHBondContact O-CG2 3.35Å; A871-V875 PolarHBondContact O-N 3.38Å; Q872-V875 CarbonylContact O-C 3.59Å; Q872-V875 PolarHBondContact O-N 3.08Å; D873-V875 VanDerWaalsContact C-N 3.29Å; D873-V875 PolarHBondContact O-N 3.31Å; V875-L878 PolarHBondContact O-N 2.88Å; V875-K879 HydrophobicContact CG1-CD 4.38Å; V875-K879 VanDerWaalsContact O-CG 3.31Å; V875-K879 WeakPolarHBondContact O-CG 3.36Å; V875-K879 PolarHBondContact O-N 3.01Å |
| 876 | C | 87.2 | Confident | 87.1 | Confident | 64 Ų | 64 | 92.2 Ų | 92.2 | 43% | 0.432 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.8 | -43.3 | 175 | -74.1 | 0 | 0 | 0 | 0 | 112.2 | Q872 D873 L878 K879 Q880 | Q872-C876 PolarHBondContact O-N 2.61Å; Q872-C876 PolarHBondContact O-SG 3.2Å; Q872-C876 VanDerWaalsContact O-SG 3.38Å; D873-C876 PolarHBondContact O-N 3.12Å; D873-C876 VanDerWaalsContact O-N 3.13Å; C876-L878 VanDerWaalsContact C-N 3.35Å; C876-L878 PolarHBondContact O-N 3.43Å; C876-K879 PolarHBondContact O-N 3.17Å; C876-Q880 PolarHBondContact O-N 3.47Å |
| 877 | Q | 90 | Very high | 86.6 | Confident | 121 Ų | 121 | 91.8 Ų | 91.8 | 57% | 0.565 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.6 | -42.5 | 172.6 | -67.8 | 172.2 | 35.9 | 0 | 0 | 111.7 | D873 Q880 L881 | D873-Q877 WeakPolarHBondContact O-CG 3.31Å; D873-Q877 PolarHBondContact O-N 3.39Å; Q877-Q880 PolarHBondContact O-N 3.03Å; Q877-L881 WeakPolarHBondContact O-CG 3.25Å; Q877-L881 PolarHBondContact O-N 2.85Å |
| 878 | L | 84.3 | Confident | 86.2 | Confident | 107 Ų | 107 | 88.4 Ų | 88.4 | 56% | 0.56 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.6 | -40.9 | 176 | -74.5 | 170.2 | 0 | 0 | 0 | 112.7 | A874 V875 C876 L881 V882 | A874-L878 WeakPolarHBondContact O-CB 3.41Å; A874-L878 VanDerWaalsContact O-CG 3.29Å; A874-L878 WeakPolarHBondContact O-CG 3.44Å; A874-L878 PolarHBondContact O-N 3.21Å; V875-L878 PolarHBondContact O-N 2.88Å; C876-L878 VanDerWaalsContact C-N 3.35Å; C876-L878 PolarHBondContact O-N 3.43Å; L878-L881 PolarHBondContact O-N 3.37Å; L878-V882 WeakPolarHBondContact O-CG2 3.34Å; L878-V882 PolarHBondContact O-N 3.24Å |
| 879 | K | 83.3 | Confident | 85.7 | Confident | 114 Ų | 114 | 84.9 Ų | 84.9 | 50% | 0.496 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58.3 | -49.6 | 172.8 | -73.1 | 165.7 | -173.9 | 163 | 0 | 111 | V875 C876 L881 V882 E883 | V875-K879 HydrophobicContact CG1-CD 4.38Å; V875-K879 VanDerWaalsContact O-CG 3.31Å; V875-K879 WeakPolarHBondContact O-CG 3.36Å; V875-K879 PolarHBondContact O-N 3.01Å; C876-K879 PolarHBondContact O-N 3.17Å; K879-L881 VanDerWaalsContact C-N 3.32Å; K879-L881 PolarHBondContact O-N 3.39Å; K879-V882 PolarHBondContact O-N 3.01Å; K879-V882 VanDerWaalsContact O-N 3.1Å; K879-E883 WeakPolarHBondContact O-CG 3.29Å; K879-E883 PolarHBondContact O-N 2.99Å |
| 880 | Q | 88.8 | Confident | 85.3 | Confident | 121 Ų | 121 | 90.9 Ų | 90.9 | 57% | 0.565 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.1 | -39.6 | -179.6 | -165.1 | -177.5 | 24.6 | 0 | 0 | 112.1 | C876 Q877 E883 N884 | C876-Q880 PolarHBondContact O-N 3.47Å; Q877-Q880 PolarHBondContact O-N 3.03Å; Q880-E883 PolarHBondContact O-N 3.37Å; Q880-N884 WeakPolarHBondContact O-CB 3.45Å; Q880-N884 PolarHBondContact O-N 3.02Å; Q880-N884 PolarHBondContact O-ND2 3.46Å; Q880-N884 VanDerWaalsContact O-ND2 3.16Å |
| 881 | L | 86.4 | Confident | 84.9 | Confident | 113 Ų | 113 | 91.2 Ų | 91.2 | 59% | 0.592 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64 | -40.7 | 173.7 | -72.7 | 169.8 | 0 | 0 | 0 | 112.6 | Q877 L878 K879 H885 | Q877-L881 WeakPolarHBondContact O-CG 3.25Å; Q877-L881 PolarHBondContact O-N 2.85Å; L878-L881 PolarHBondContact O-N 3.37Å; K879-L881 VanDerWaalsContact C-N 3.32Å; K879-L881 PolarHBondContact O-N 3.39Å; L881-H885 WeakPolarHBondContact O-CB 3.47Å; L881-H885 PolarHBondContact O-N 3.1Å |
| 882 | V | 81.4 | Confident | 84.7 | Confident | 93 Ų | 93 | 93.2 Ų | 93.2 | 56% | 0.564 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -67.2 | -42.2 | 175.8 | 169.9 | 0 | 0 | 0 | 0 | 111.4 | L878 K879 H885 V886 | L878-V882 WeakPolarHBondContact O-CG2 3.34Å; L878-V882 PolarHBondContact O-N 3.24Å; K879-V882 PolarHBondContact O-N 3.01Å; K879-V882 VanDerWaalsContact O-N 3.1Å; V882-H885 PolarHBondContact O-N 3.3Å; V882-V886 HydrophobicContact CG1-CG2 4.4Å; V882-V886 WeakPolarHBondContact O-CB 3.44Å; V882-V886 WeakPolarHBondContact O-CG2 3.35Å; V882-V886 PolarHBondContact O-N 3.47Å |
| 883 | E | 85.9 | Confident | 84.3 | Confident | 130 Ų | 130 | 90.5 Ų | 90.5 | 61% | 0.607 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -63.6 | -43.8 | 177.1 | -73.8 | 174.7 | -176.8 | 0 | 0 | 111.8 | K879 Q880 H885 V886 A887 | K879-E883 WeakPolarHBondContact O-CG 3.29Å; K879-E883 PolarHBondContact O-N 2.99Å; Q880-E883 PolarHBondContact O-N 3.37Å; E883-H885 VanDerWaalsContact C-N 3.35Å; E883-H885 PolarHBondContact O-N 3.01Å; E883-V886 PolarHBondContact O-N 3.16Å; E883-A887 WeakPolarHBondContact O-CB 3.37Å; E883-A887 PolarHBondContact O-N 2.91Å |
| 884 | N | 86.4 | Confident | 84.2 | Confident | 99 Ų | 99 | 92 Ų | 92 | 53% | 0.529 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.4 | -41.7 | 173.1 | -74 | -27.2 | 0 | 0 | 0 | 112.2 | Q880 A887 S888 | Q880-N884 WeakPolarHBondContact O-CB 3.45Å; Q880-N884 PolarHBondContact O-N 3.02Å; Q880-N884 PolarHBondContact O-ND2 3.46Å; Q880-N884 VanDerWaalsContact O-ND2 3.16Å; N884-A887 PolarHBondContact O-N 3.21Å; N884-S888 PolarHBondContact O-N 3.05Å |
| 885 | H | 83.7 | Confident | 84.1 | Confident | 85 Ų | 85 | 97.9 Ų | 97.9 | 39% | 0.394 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.3 | -45.7 | 175.5 | -171.2 | -74.5 | 0 | 0 | 0 | 111.8 | L881 V882 E883 A887 S888 E889 Y961 | L881-H885 WeakPolarHBondContact O-CB 3.47Å; L881-H885 PolarHBondContact O-N 3.1Å; V882-H885 PolarHBondContact O-N 3.3Å; E883-H885 VanDerWaalsContact C-N 3.35Å; E883-H885 PolarHBondContact O-N 3.01Å; H885-A887 VanDerWaalsContact C-N 3.31Å; H885-A887 PolarHBondContact O-N 3.4Å; H885-S888 PolarHBondContact O-N 3.4Å; H885-E889 PolarHBondContact O-N 2.99Å; H885-Y961 PolarHBondContact CE1-OH 2.98Å |
| 886 | V | 80.4 | Confident | 83.9 | Confident | 58 Ų | 58 | 95.3 Ų | 95.3 | 35% | 0.352 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.2 | -35.2 | 177.3 | 169 | 0 | 0 | 0 | 0 | 111.6 | V882 E883 R890 | V882-V886 HydrophobicContact CG1-CG2 4.4Å; V882-V886 WeakPolarHBondContact O-CB 3.44Å; V882-V886 WeakPolarHBondContact O-CG2 3.35Å; V882-V886 PolarHBondContact O-N 3.47Å; E883-V886 PolarHBondContact O-N 3.16Å; V886-R890 VanDerWaalsContact O-CG 3.25Å; V886-R890 WeakPolarHBondContact O-CG 2.85Å; V886-R890 PolarHBondContact O-N 3.21Å |
| 887 | A | 80.8 | Confident | 83.8 | Confident | 52 Ų | 52 | 97 Ų | 97 | 43% | 0.43 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.6 | -45.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | E883 N884 H885 R890 E891 | E883-A887 WeakPolarHBondContact O-CB 3.37Å; E883-A887 PolarHBondContact O-N 2.91Å; N884-A887 PolarHBondContact O-N 3.21Å; H885-A887 VanDerWaalsContact C-N 3.31Å; H885-A887 PolarHBondContact O-N 3.4Å; A887-R890 PolarHBondContact O-N 3.49Å; A887-E891 PolarHBondContact O-N 2.99Å |
| 888 | S | 83.9 | Confident | 83.6 | Confident | 48 Ų | 48 | 93.8 Ų | 93.8 | 34% | 0.336 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.4 | -42.5 | 176.5 | -170.2 | 0 | 0 | 0 | 0 | 112.5 | N884 H885 R890 E891 K892 | N884-S888 PolarHBondContact O-N 3.05Å; H885-S888 PolarHBondContact O-N 3.4Å; S888-R890 PolarHBondContact O-N 3.35Å; S888-E891 PolarHBondContact O-N 2.93Å; S888-K892 WeakPolarHBondContact O-CG 3.33Å; S888-K892 PolarHBondContact O-N 3.27Å; S888-K892 WeakPolarHBondContact OG-CE 3.49Å |
| 889 | E | 76.4 | Confident | 83.6 | Confident | 26 Ų | 26 | 90.3 Ų | 90.3 | 12% | 0.121 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -64.3 | -38.1 | 175.3 | -71 | -55.6 | 123.9 | 0 | 0 | 112.6 | H885 E891 K892 N893 | H885-E889 PolarHBondContact O-N 2.99Å; E889-E891 VanDerWaalsContact C-N 3.33Å; E889-E891 PolarHBondContact O-N 3.22Å; E889-K892 PolarHBondContact O-N 3.48Å; E889-K892 WeakPolarHBondContact OE1-CD 3.44Å; E889-K892 WeakPolarHBondContact OE1-CE 3.41Å; E889-K892 IonicContact OE1-NZ 2.64Å; E889-K892 PolarHBondContact OE1-NZ 3.02Å; E889-N893 WeakPolarHBondContact O-CB 3.33Å; E889-N893 PolarHBondContact O-N 2.91Å; E889-N893 PolarHBondContact O-ND2 3.27Å |
| 890 | R | 81.6 | Confident | 83.8 | Confident | 178 Ų | 178 | 86.5 Ų | 86.5 | 67% | 0.672 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -61.7 | -40.2 | 172.9 | -73.7 | 167.8 | -178.8 | 170.6 | 2.7 | 112 | V886 A887 S888 K894 | V886-R890 VanDerWaalsContact O-CG 3.25Å; V886-R890 WeakPolarHBondContact O-CG 2.85Å; V886-R890 PolarHBondContact O-N 3.21Å; A887-R890 PolarHBondContact O-N 3.49Å; S888-R890 PolarHBondContact O-N 3.35Å; R890-K894 WeakPolarHBondContact O-CB 3.45Å; R890-K894 PolarHBondContact O-N 3.03Å |
| 891 | E | 83.8 | Confident | 83.8 | Confident | 124 Ų | 124 | 88.2 Ų | 88.2 | 58% | 0.579 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -66.6 | -44.1 | 176.5 | -171.1 | -179.7 | -166.8 | 0 | 0 | 112 | A887 S888 E889 N893 K894 R895 | A887-E891 PolarHBondContact O-N 2.99Å; S888-E891 PolarHBondContact O-N 2.93Å; E889-E891 VanDerWaalsContact C-N 3.33Å; E889-E891 PolarHBondContact O-N 3.22Å; E891-N893 PolarHBondContact O-N 3.03Å; E891-K894 PolarHBondContact O-N 3.22Å; E891-R895 WeakPolarHBondContact O-CB 3.25Å; E891-R895 PolarHBondContact O-N 3.04Å |
| 892 | K | 81.1 | Confident | 83.7 | Confident | 92 Ų | 92 | 87.4 Ų | 87.4 | 40% | 0.4 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -58.4 | -46.5 | 174.6 | -67.9 | 170.1 | -162.6 | 172.9 | 0 | 111.6 | S888 E889 R895 I896 | S888-K892 WeakPolarHBondContact O-CG 3.33Å; S888-K892 PolarHBondContact O-N 3.27Å; S888-K892 WeakPolarHBondContact OG-CE 3.49Å; E889-K892 PolarHBondContact O-N 3.48Å; E889-K892 WeakPolarHBondContact OE1-CD 3.44Å; E889-K892 WeakPolarHBondContact OE1-CE 3.41Å; E889-K892 IonicContact OE1-NZ 2.64Å; E889-K892 PolarHBondContact OE1-NZ 3.02Å; K892-R895 WeakPolarHBondContact O-CB 3.48Å; K892-R895 PolarHBondContact O-N 3.25Å; K892-R895 VanDerWaalsContact O-N 3.14Å; K892-I896 WeakPolarHBondContact O-CG1 3.42Å; K892-I896 PolarHBondContact O-N 3.04Å |
| 893 | N | 80.3 | Confident | 83.8 | Confident | 57 Ų | 57 | 83.3 Ų | 83.3 | 31% | 0.305 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.7 | -46 | 178.5 | -68.9 | -22.4 | 0 | 0 | 0 | 111.8 | E889 E891 R895 I896 D897 H954 | E889-N893 WeakPolarHBondContact O-CB 3.33Å; E889-N893 PolarHBondContact O-N 2.91Å; E889-N893 PolarHBondContact O-ND2 3.27Å; E891-N893 PolarHBondContact O-N 3.03Å; N893-R895 VanDerWaalsContact C-N 3.25Å; N893-R895 PolarHBondContact O-N 2.71Å; N893-I896 WeakPolarHBondContact O-CB 3.42Å; N893-I896 PolarHBondContact O-N 3.48Å; N893-I896 VanDerWaalsContact O-N 3.08Å; N893-D897 PolarHBondContact O-N 3.41Å; N893-H954 PolarHBondContact OD1-CE1 3.15Å; N893-H954 PolarHBondContact OD1-ND1 3.01Å; N893-H954 VanDerWaalsContact OD1-ND1 3.15Å |
| 894 | K | 89.3 | Confident | 83.6 | Confident | 135 Ų | 135 | 78.3 Ų | 78.3 | 59% | 0.587 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -55.9 | -41.3 | 173.3 | -176.8 | -172.6 | 172.4 | -169.6 | 0 | 111.7 | R890 E891 I896 D897 D898 | R890-K894 WeakPolarHBondContact O-CB 3.45Å; R890-K894 PolarHBondContact O-N 3.03Å; E891-K894 PolarHBondContact O-N 3.22Å; K894-I896 VanDerWaalsContact C-N 3.35Å; K894-I896 PolarHBondContact O-N 3.43Å; K894-D897 PolarHBondContact O-N 2.85Å; K894-D898 WeakPolarHBondContact O-CB 3.22Å; K894-D898 PolarHBondContact O-N 2.96Å |
| 895 | R | 86.4 | Confident | 83.7 | Confident | 168 Ų | 168 | 80.2 Ų | 80.2 | 63% | 0.634 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -65.9 | -34.5 | 177.8 | -152.9 | 172.4 | -168.6 | 146.8 | 0 | 112.7 | E891 K892 N893 L899 | E891-R895 WeakPolarHBondContact O-CB 3.25Å; E891-R895 PolarHBondContact O-N 3.04Å; K892-R895 WeakPolarHBondContact O-CB 3.48Å; K892-R895 PolarHBondContact O-N 3.25Å; K892-R895 VanDerWaalsContact O-N 3.14Å; N893-R895 VanDerWaalsContact C-N 3.25Å; N893-R895 PolarHBondContact O-N 2.71Å; R895-L899 WeakPolarHBondContact O-CB 3.46Å; R895-L899 VanDerWaalsContact O-CG 3.31Å; R895-L899 WeakPolarHBondContact O-CG 3.29Å; R895-L899 PolarHBondContact O-N 3.3Å |
| 896 | I | 80.7 | Confident | 83.7 | Confident | 16 Ų | 16 | 77.9 Ų | 77.9 | 8% | 0.082 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -67.6 | -39.2 | 172.6 | -68.1 | 167.1 | 0 | 0 | 0 | 111.1 | K892 N893 K894 S900 L947 S950 K951 H954 | K892-I896 WeakPolarHBondContact O-CG1 3.42Å; K892-I896 PolarHBondContact O-N 3.04Å; N893-I896 WeakPolarHBondContact O-CB 3.42Å; N893-I896 PolarHBondContact O-N 3.48Å; N893-I896 VanDerWaalsContact O-N 3.08Å; K894-I896 VanDerWaalsContact C-N 3.35Å; K894-I896 PolarHBondContact O-N 3.43Å; I896-S900 VanDerWaalsContact O-CB 3.25Å; I896-S900 WeakPolarHBondContact O-CB 3.37Å; I896-S900 PolarHBondContact O-N 2.88Å; I896-S900 PolarHBondContact O-OG 2.96Å; I896-L947 HydrophobicContact CG2-CD1 4.11Å; I896-S950 VanDerWaalsContact CG1-OG 3.32Å; I896-S950 WeakPolarHBondContact CG1-OG 3.45Å; I896-K951 HydrophobicContact CG2-CG 4.12Å; I896-H954 HydrophobicContact CD1-CB 4.11Å |
| 897 | D | 84.7 | Confident | 83.8 | Confident | 100 Ų | 100 | 80.4 Ų | 80.4 | 54% | 0.535 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -68.3 | -42.6 | 174.9 | -72.9 | -30.3 | 0 | 0 | 0 | 111.9 | N893 K894 S900 R901 | N893-D897 PolarHBondContact O-N 3.41Å; K894-D897 PolarHBondContact O-N 2.85Å; D897-S900 PolarHBondContact O-N 3.46Å; D897-R901 VanDerWaalsContact O-CG 3.32Å; D897-R901 WeakPolarHBondContact O-CG 3.37Å; D897-R901 PolarHBondContact O-N 2.91Å |
| 898 | D | 87 | Confident | 84 | Confident | 54 Ų | 54 | 84 Ų | 84 | 29% | 0.289 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.2 | -52.7 | 176.1 | -70.4 | -21.6 | 0 | 0 | 0 | 111 | K894 S900 R901 E902 | K894-D898 WeakPolarHBondContact O-CB 3.22Å; K894-D898 PolarHBondContact O-N 2.96Å; D898-S900 VanDerWaalsContact C-N 3.32Å; D898-S900 PolarHBondContact O-N 3.27Å; D898-R901 PolarHBondContact O-N 3.49Å; D898-R901 VanDerWaalsContact O-N 3.13Å; D898-R901 IonicContact OD1-CZ 3.61Å; D898-R901 IonicContact OD1-NE 2.65Å; D898-R901 IonicContact OD1-NH2 3.39Å; D898-R901 PolarHBondContact OD1-NH2 3.43Å; D898-E902 PolarHBondContact O-N 3.47Å |
| 899 | L | 83.6 | Confident | 83.9 | Confident | 33 Ų | 33 | 83.7 Ų | 83.7 | 17% | 0.173 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -61.2 | -36.9 | 174.8 | -71.7 | 170 | 0 | 0 | 0 | 112.6 | R895 R901 E902 V903 L943 L947 | R895-L899 WeakPolarHBondContact O-CB 3.46Å; R895-L899 VanDerWaalsContact O-CG 3.31Å; R895-L899 WeakPolarHBondContact O-CG 3.29Å; R895-L899 PolarHBondContact O-N 3.3Å; L899-R901 VanDerWaalsContact C-N 3.34Å; L899-R901 PolarHBondContact O-N 3.49Å; L899-E902 PolarHBondContact O-N 3.32Å; L899-V903 WeakPolarHBondContact O-CB 3.35Å; L899-V903 WeakPolarHBondContact O-CG2 3.35Å; L899-V903 PolarHBondContact O-N 2.93Å; L899-L943 HydrophobicContact CD2-CD2 3.81Å; L899-L947 HydrophobicContact CB-CD1 3.95Å |
| 900 | S | 86.1 | Confident | 84.1 | Confident | 35 Ų | 35 | 83.9 Ų | 83.9 | 25% | 0.245 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.7 | -39.3 | 175.2 | -64.5 | 0 | 0 | 0 | 0 | 111.7 | I896 D897 D898 G904 L947 K951 | I896-S900 VanDerWaalsContact O-CB 3.25Å; I896-S900 WeakPolarHBondContact O-CB 3.37Å; I896-S900 PolarHBondContact O-N 2.88Å; I896-S900 PolarHBondContact O-OG 2.96Å; D897-S900 PolarHBondContact O-N 3.46Å; D898-S900 VanDerWaalsContact C-N 3.32Å; D898-S900 PolarHBondContact O-N 3.27Å; S900-G904 PolarHBondContact O-N 3.01Å; S900-L947 WeakPolarHBondContact OG-CD1 3.46Å; S900-K951 PolarHBondContact OG-NZ 3.33Å |
| 901 | R | 89.7 | Confident | 84.1 | Confident | 157 Ų | 157 | 79.7 Ų | 79.7 | 59% | 0.592 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -70.3 | -37.2 | 176.8 | -70.2 | -173.7 | -62.6 | 165.8 | -1.1 | 112.4 | D897 D898 L899 G904 K905 | D897-R901 VanDerWaalsContact O-CG 3.32Å; D897-R901 WeakPolarHBondContact O-CG 3.37Å; D897-R901 PolarHBondContact O-N 2.91Å; D898-R901 PolarHBondContact O-N 3.49Å; D898-R901 VanDerWaalsContact O-N 3.13Å; D898-R901 IonicContact OD1-CZ 3.61Å; D898-R901 IonicContact OD1-NE 2.65Å; D898-R901 IonicContact OD1-NH2 3.39Å; D898-R901 PolarHBondContact OD1-NH2 3.43Å; L899-R901 VanDerWaalsContact C-N 3.34Å; L899-R901 PolarHBondContact O-N 3.49Å; R901-G904 PolarHBondContact O-N 3.46Å; R901-K905 WeakPolarHBondContact O-CG 3.37Å; R901-K905 PolarHBondContact O-N 2.87Å |
| 902 | E | 85.4 | Confident | 84 | Confident | 96 Ų | 96 | 76.7 Ų | 76.7 | 45% | 0.449 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.9 | -45.2 | 174.6 | -70.8 | -176.4 | 166 | 0 | 0 | 112.3 | D898 L899 G904 K905 L906 | D898-E902 PolarHBondContact O-N 3.47Å; L899-E902 PolarHBondContact O-N 3.32Å; E902-G904 PolarHBondContact O-N 2.8Å; E902-K905 PolarHBondContact O-N 3.05Å; E902-L906 WeakPolarHBondContact O-CB 3.29Å; E902-L906 WeakPolarHBondContact O-CG 3.49Å; E902-L906 PolarHBondContact O-N 2.96Å |
| 903 | V | 81.9 | Confident | 83.6 | Confident | 7 Ų | 7 | 74.5 Ų | 74.5 | 4% | 0.042 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -60.7 | -33.2 | 172.9 | 170 | 0 | 0 | 0 | 0 | 111.6 | L899 K907 L943 Q944 L947 | L899-V903 WeakPolarHBondContact O-CB 3.35Å; L899-V903 WeakPolarHBondContact O-CG2 3.35Å; L899-V903 PolarHBondContact O-N 2.93Å; V903-K907 HydrophobicContact CG1-CD 4.41Å; V903-K907 VanDerWaalsContact O-CG 3.28Å; V903-K907 WeakPolarHBondContact O-CG 3.32Å; V903-K907 PolarHBondContact O-N 2.89Å; V903-K907 VanDerWaalsContact O-N 3.15Å; V903-L943 HydrophobicContact CG2-CB 3.74Å; V903-Q944 HydrophobicContact CG1-CG 3.69Å; V903-Q944 HydrophobicContact CG2-CG 4.29Å; V903-L947 HydrophobicContact CB-CD2 4.45Å; V903-L947 HydrophobicContact CG2-CD2 4.28Å |
| 904 | G | 83.3 | Confident | 83.2 | Confident | 24 Ų | 24 | 74 Ų | 74 | 25% | 0.247 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -61.7 | -58.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S900 R901 E902 L906 K907 E908 | S900-G904 PolarHBondContact O-N 3.01Å; R901-G904 PolarHBondContact O-N 3.46Å; E902-G904 PolarHBondContact O-N 2.8Å; G904-L906 VanDerWaalsContact C-N 3.28Å; G904-L906 PolarHBondContact O-N 3.39Å; G904-K907 WeakPolarHBondContact O-CB 3.31Å; G904-K907 PolarHBondContact O-N 3.47Å; G904-E908 PolarHBondContact O-N 3.06Å |
| 905 | K | 88.1 | Confident | 82.3 | Confident | 140 Ų | 140 | 73.2 Ų | 73.2 | 61% | 0.609 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -55.1 | -40.7 | 178.5 | -69.8 | 170.3 | -178.7 | 177.3 | 0 | 112.7 | R901 E902 E908 A909 | R901-K905 WeakPolarHBondContact O-CG 3.37Å; R901-K905 PolarHBondContact O-N 2.87Å; E902-K905 PolarHBondContact O-N 3.05Å; K905-E908 PolarHBondContact O-N 3.15Å; K905-A909 WeakPolarHBondContact O-CB 3.44Å; K905-A909 PolarHBondContact O-N 3.44Å |
| 906 | L | 82.8 | Confident | 81.1 | Confident | 35 Ų | 35 | 69.4 Ų | 69.4 | 18% | 0.183 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -68.3 | -34.6 | 177.8 | -71 | 171.3 | 0 | 0 | 0 | 112.4 | E902 G904 L910 L936 L940 L943 | E902-L906 WeakPolarHBondContact O-CB 3.29Å; E902-L906 WeakPolarHBondContact O-CG 3.49Å; E902-L906 PolarHBondContact O-N 2.96Å; G904-L906 VanDerWaalsContact C-N 3.28Å; G904-L906 PolarHBondContact O-N 3.39Å; L906-L910 WeakPolarHBondContact O-CB 3.47Å; L906-L910 PolarHBondContact O-N 3.25Å; L906-L936 HydrophobicContact CD2-CD2 3.9Å; L906-L940 HydrophobicContact CB-CB 4.39Å; L906-L940 HydrophobicContact CB-CD1 4.01Å; L906-L943 HydrophobicContact CD1-CD1 3.45Å; L906-L943 VanDerWaalsContact CD1-CD1 3.45Å |
| 907 | K | 83.4 | Confident | 80.1 | Confident | 111 Ų | 111 | 69.8 Ų | 69.8 | 48% | 0.483 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.8 | -41.2 | 171.5 | -75.8 | 172.7 | -180 | -177.4 | 0 | 111.7 | V903 G904 L910 N911 L940 | V903-K907 HydrophobicContact CG1-CD 4.41Å; V903-K907 VanDerWaalsContact O-CG 3.28Å; V903-K907 WeakPolarHBondContact O-CG 3.32Å; V903-K907 PolarHBondContact O-N 2.89Å; V903-K907 VanDerWaalsContact O-N 3.15Å; G904-K907 WeakPolarHBondContact O-CB 3.31Å; G904-K907 PolarHBondContact O-N 3.47Å; K907-L910 PolarHBondContact O-N 2.9Å; K907-N911 VanDerWaalsContact O-CB 3.29Å; K907-N911 WeakPolarHBondContact O-CB 3.3Å; K907-N911 PolarHBondContact O-N 2.72Å; K907-L940 HydrophobicContact CB-CD1 4.46Å; K907-L940 HydrophobicContact CG-CD1 3.73Å |
| 908 | E | 85 | Confident | 78.8 | Confident | 128 Ų | 128 | 74.1 Ų | 74.1 | 60% | 0.598 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -67.1 | -43.5 | 178.2 | -69.9 | 166.3 | -176.8 | 0 | 0 | 112 | G904 K905 N911 S912 | G904-E908 PolarHBondContact O-N 3.06Å; K905-E908 PolarHBondContact O-N 3.15Å; E908-N911 PolarHBondContact O-N 2.92Å; E908-S912 WeakPolarHBondContact O-CB 3.48Å; E908-S912 PolarHBondContact O-N 2.82Å; E908-S912 PolarHBondContact O-OG 3.23Å |
| 909 | A | 80.8 | Confident | 77.4 | Confident | 41 Ų | 41 | 75.6 Ų | 75.6 | 34% | 0.339 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | K905 S912 L913 | K905-A909 WeakPolarHBondContact O-CB 3.44Å; K905-A909 PolarHBondContact O-N 3.44Å; A909-S912 PolarHBondContact O-N 2.85Å; A909-L913 WeakPolarHBondContact O-CB 3.41Å; A909-L913 WeakPolarHBondContact O-CG 3.45Å; A909-L913 PolarHBondContact O-N 2.83Å |
| 910 | L | 80.3 | Confident | 75.9 | Confident | 30 Ų | 30 | 80.2 Ų | 80.2 | 16% | 0.157 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -63.7 | -41.8 | 176.3 | 179.9 | 62.3 | 0 | 0 | 0 | 112 | L906 K907 S914 M933 Q937 L940 | L906-L910 WeakPolarHBondContact O-CB 3.47Å; L906-L910 PolarHBondContact O-N 3.25Å; K907-L910 PolarHBondContact O-N 2.9Å; L910-S914 VanDerWaalsContact O-CB 3.27Å; L910-S914 WeakPolarHBondContact O-CB 3.47Å; L910-S914 PolarHBondContact O-N 3Å; L910-M933 HydrophobicContact CD1-CG 3.65Å; L910-M933 HydrophobicContact CD1-SD 4.42Å; L910-Q937 HydrophobicContact CD1-CG 3.83Å; L910-Q937 HydrophobicContact CD2-CG 3.82Å; L910-L940 HydrophobicContact CD2-CD1 4.06Å |
| 911 | N | 81.6 | Confident | 74.4 | Confident | 91 Ų | 91 | 81.2 Ų | 81.2 | 49% | 0.487 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.1 | -44.4 | 173.9 | -173.1 | 17.3 | 0 | 0 | 0 | 111.2 | K907 E908 S914 Q915 | K907-N911 VanDerWaalsContact O-CB 3.29Å; K907-N911 WeakPolarHBondContact O-CB 3.3Å; K907-N911 PolarHBondContact O-N 2.72Å; E908-N911 PolarHBondContact O-N 2.92Å; N911-S914 WeakPolarHBondContact O-CB 3.42Å; N911-S914 PolarHBondContact O-N 3.33Å; N911-Q915 VanDerWaalsContact CG-NE2 3.32Å; N911-Q915 PolarHBondContact ND2-NE2 2.96Å; N911-Q915 WeakPolarHBondContact O-CG 3.48Å; N911-Q915 PolarHBondContact O-N 3.03Å; N911-Q915 PolarHBondContact OD1-NE2 3.47Å |
| 912 | S | 82.1 | Confident | 73 | Confident | 61 Ų | 61 | 76.6 Ų | 76.6 | 43% | 0.427 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -62.6 | -45.2 | 177.9 | -55.8 | 0 | 0 | 0 | 0 | 112.2 | E908 A909 S914 Q915 L916 | E908-S912 WeakPolarHBondContact O-CB 3.48Å; E908-S912 PolarHBondContact O-N 2.82Å; E908-S912 PolarHBondContact O-OG 3.23Å; A909-S912 PolarHBondContact O-N 2.85Å; S912-S914 VanDerWaalsContact C-N 3.34Å; S912-Q915 PolarHBondContact O-N 3.08Å; S912-L916 VanDerWaalsContact O-CG 3.31Å; S912-L916 WeakPolarHBondContact O-CG 3.49Å; S912-L916 PolarHBondContact O-N 3.38Å |
| 913 | L | 72.7 | Confident | 71.9 | Confident | 45 Ų | 45 | 77.4 Ų | 77.4 | 24% | 0.236 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -65.3 | -37.1 | 174.6 | -72.7 | 168.7 | 0 | 0 | 0 | 112.2 | A909 L916 S917 L936 | A909-L913 WeakPolarHBondContact O-CB 3.41Å; A909-L913 WeakPolarHBondContact O-CG 3.45Å; A909-L913 PolarHBondContact O-N 2.83Å; L913-L916 PolarHBondContact O-N 3.46Å; L913-S917 PolarHBondContact O-N 2.65Å; L913-L936 HydrophobicContact CD1-CD1 3.41Å; L913-L936 VanDerWaalsContact CD1-CD1 3.41Å |
| 914 | S | 72 | Confident | 71 | Confident | 47 Ų | 47 | 81.4 Ų | 81.4 | 33% | 0.329 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.1 | -46.4 | 174.4 | -171 | 0 | 0 | 0 | 0 | 111.3 | L910 N911 S912 L916 S917 Y918 | L910-S914 VanDerWaalsContact O-CB 3.27Å; L910-S914 WeakPolarHBondContact O-CB 3.47Å; L910-S914 PolarHBondContact O-N 3Å; N911-S914 WeakPolarHBondContact O-CB 3.42Å; N911-S914 PolarHBondContact O-N 3.33Å; S912-S914 VanDerWaalsContact C-N 3.34Å; S914-L916 PolarHBondContact O-N 3.23Å; S914-S917 PolarHBondContact O-N 3.35Å; S914-S917 PolarHBondContact O-OG 3.21Å; S914-Y918 VanDerWaalsContact O-CD2 3.24Å; S914-Y918 WeakPolarHBondContact O-CD2 3.46Å; S914-Y918 WeakPolarHBondContact O-CE2 3.35Å |
| 915 | Q | 70.5 | Confident | 70 | Confident | 118 Ų | 118 | 86 Ų | 86 | 55% | 0.551 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.6 | -43.3 | 175.6 | -68.9 | 169.5 | 35 | 0 | 0 | 112.1 | N911 S912 S917 Y918 | N911-Q915 VanDerWaalsContact CG-NE2 3.32Å; N911-Q915 PolarHBondContact ND2-NE2 2.96Å; N911-Q915 WeakPolarHBondContact O-CG 3.48Å; N911-Q915 PolarHBondContact O-N 3.03Å; N911-Q915 PolarHBondContact OD1-NE2 3.47Å; S912-Q915 PolarHBondContact O-N 3.08Å; Q915-S917 VanDerWaalsContact C-N 3.28Å; Q915-S917 PolarHBondContact O-N 3.29Å; Q915-Y918 PolarHBondContact O-N 3.2Å |
| 916 | L | 62 | Low | 68.8 | Low | 88 Ų | 88 | 85 Ų | 85 | 46% | 0.461 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63 | -31.2 | 177.6 | -73.4 | 167.4 | 0 | 0 | 0 | 113.1 | S912 L913 S914 Y918 T919 | S912-L916 VanDerWaalsContact O-CG 3.31Å; S912-L916 WeakPolarHBondContact O-CG 3.49Å; S912-L916 PolarHBondContact O-N 3.38Å; L913-L916 PolarHBondContact O-N 3.46Å; S914-L916 PolarHBondContact O-N 3.23Å; L916-Y918 PolarHBondContact O-N 2.9Å; L916-Y918 VanDerWaalsContact O-N 3.15Å; L916-T919 PolarHBondContact O-N 3.31Å; L916-T919 PolarHBondContact O-OG1 3.31Å |
| 917 | S | 58.7 | Low | 68.2 | Low | 25 Ų | 25 | 89.4 Ų | 89.4 | 18% | 0.175 | 48% | 0.484 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -16.8 | -176.2 | 75.9 | 0 | 0 | 0 | 0 | 115 | L913 S914 Q915 R926 | L913-S917 PolarHBondContact O-N 2.65Å; S914-S917 PolarHBondContact O-N 3.35Å; S914-S917 PolarHBondContact O-OG 3.21Å; Q915-S917 VanDerWaalsContact C-N 3.28Å; Q915-S917 PolarHBondContact O-N 3.29Å; S917-R926 PolarHBondContact O-NH2 3.39Å |
| 918 | Y | 57.9 | Low | 67.7 | Low | 190 Ų | 190 | 89.5 Ų | 89.5 | 75% | 0.745 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -15 | 172 | -67.4 | -82.6 | 0 | 0 | 0 | 113.8 | S914 Q915 L916 | S914-Y918 VanDerWaalsContact O-CD2 3.24Å; S914-Y918 WeakPolarHBondContact O-CD2 3.46Å; S914-Y918 WeakPolarHBondContact O-CE2 3.35Å; Q915-Y918 PolarHBondContact O-N 3.2Å; L916-Y918 PolarHBondContact O-N 2.9Å; L916-Y918 VanDerWaalsContact O-N 3.15Å |
| 919 | T | 57 | Low | 66.9 | Low | 85 Ų | 85 | 86.1 Ų | 86.1 | 52% | 0.521 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -79.1 | 146.4 | 175.4 | 68.5 | 0 | 0 | 0 | 0 | 111.1 | L916 C921 | L916-T919 PolarHBondContact O-N 3.31Å; L916-T919 PolarHBondContact O-OG1 3.31Å; T919-C921 PolarHBondContact O-N 3.38Å |
| 920 | S | 52.5 | Low | 66.6 | Low | 130 Ų | 130 | 87.7 Ų | 87.7 | 91% | 0.909 | 47% | 0.473 | S | S | * | . | trans | -70.6 | 100.3 | -168.2 | 54.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 921 | C | 54 | Low | 66.5 | Low | 56 Ų | 56 | 91.6 Ų | 91.6 | 38% | 0.378 | 49% | 0.49 | S | S | . | . | trans | -120.5 | 159.2 | 177.3 | -142.6 | 0 | 0 | 0 | 0 | 112.5 | T919 | T919-C921 PolarHBondContact O-N 3.38Š| ||
| 922 | S | 60.9 | Low | 66.2 | Low | 61 Ų | 61 | 91.8 Ų | 91.8 | 43% | 0.427 | 49% | 0.488 | S | S | . | . | trans | -70.3 | 150.7 | -178.3 | 60 | 0 | 0 | 0 | 0 | 112.3 | S924 K925 R926 | S922-S924 VanDerWaalsContact C-N 3.32Å; S922-S924 PolarHBondContact O-N 2.64Å; S922-K925 PolarHBondContact O-N 2.99Å; S922-R926 PolarHBondContact O-N 2.97Å | ||
| 923 | P | 61.6 | Low | 66 | Low | 113 Ų | 113 | 90.5 Ų | 90.5 | 73% | 0.734 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -58.6 | -38.1 | -169.9 | 18.7 | -31.8 | 0 | 0 | 0 | 114 | R926 Q927 | P923-R926 PolarHBondContact O-N 2.87Å; P923-Q927 PolarHBondContact O-N 2.95Å |
| 924 | S | 63.5 | Low | 66.4 | Low | 90 Ų | 90 | 94.2 Ų | 94.2 | 63% | 0.629 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.5 | -41.5 | 175.1 | 169.5 | 0 | 0 | 0 | 0 | 112.7 | S922 Q927 Q928 | S922-S924 VanDerWaalsContact C-N 3.32Å; S922-S924 PolarHBondContact O-N 2.64Å; S924-Q927 PolarHBondContact O-N 3.44Å; S924-Q928 PolarHBondContact O-N 3.03Å; S924-Q928 VanDerWaalsContact O-N 3.15Å |
| 925 | K | 62.1 | Low | 66.9 | Low | 122 Ų | 122 | 95.7 Ų | 95.7 | 53% | 0.53 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.2 | -38.8 | 175.8 | -73.6 | -172.8 | 173.9 | -174 | 0 | 112.1 | S922 Q927 Q928 Q929 | S922-K925 PolarHBondContact O-N 2.99Å; K925-Q927 VanDerWaalsContact C-N 3.34Å; K925-Q927 PolarHBondContact O-N 3.23Å; K925-Q928 PolarHBondContact O-N 3.25Å; K925-Q929 WeakPolarHBondContact O-CG 3.37Å; K925-Q929 PolarHBondContact O-N 2.71Å |
| 926 | R | 64.3 | Low | 67.3 | Low | 119 Ų | 119 | 92 Ų | 92 | 45% | 0.449 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.9 | -41.6 | 173.5 | 174.7 | 171.8 | -86.2 | -174.5 | -7.3 | 111.7 | S917 S922 P923 Q929 N930 | S917-R926 PolarHBondContact O-NH2 3.39Å; S922-R926 PolarHBondContact O-N 2.97Å; P923-R926 PolarHBondContact O-N 2.87Å; R926-Q929 PolarHBondContact O-N 3.21Å; R926-N930 PolarHBondContact O-N 3.48Å; R926-N930 PolarHBondContact O-OD1 3.22Å |
| 927 | Q | 70.1 | Confident | 68.3 | Low | 127 Ų | 127 | 92.2 Ų | 92.2 | 59% | 0.593 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.4 | -40.5 | 177 | -170.3 | 171.3 | 2 | 0 | 0 | 112.2 | P923 S924 K925 N930 Q931 | P923-Q927 PolarHBondContact O-N 2.95Å; S924-Q927 PolarHBondContact O-N 3.44Å; K925-Q927 VanDerWaalsContact C-N 3.34Å; K925-Q927 PolarHBondContact O-N 3.23Å; Q927-N930 PolarHBondContact O-N 2.82Å; Q927-Q931 PolarHBondContact O-N 3.07Å; Q927-Q931 VanDerWaalsContact O-N 3.12Å |
| 928 | Q | 71.5 | Confident | 69.5 | Low | 113 Ų | 113 | 97.8 Ų | 97.8 | 53% | 0.528 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.1 | -40.7 | 175 | -168.3 | 176 | 17.3 | 0 | 0 | 112.4 | S924 K925 Q931 Q932 | S924-Q928 PolarHBondContact O-N 3.03Å; S924-Q928 VanDerWaalsContact O-N 3.15Å; K925-Q928 PolarHBondContact O-N 3.25Å; Q928-Q931 PolarHBondContact O-N 3.38Å; Q928-Q932 WeakPolarHBondContact O-CG 3.19Å; Q928-Q932 PolarHBondContact O-N 3.05Å |
| 929 | Q | 69.3 | Low | 70.6 | Confident | 56 Ų | 56 | 93.7 Ų | 93.7 | 26% | 0.262 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.8 | -37.6 | 173.8 | -77.6 | -178.3 | -39.2 | 0 | 0 | 112.5 | K925 R926 Q932 M933 | K925-Q929 WeakPolarHBondContact O-CG 3.37Å; K925-Q929 PolarHBondContact O-N 2.71Å; R926-Q929 PolarHBondContact O-N 3.21Å; Q929-Q932 PolarHBondContact O-N 3.4Å; Q929-M933 WeakPolarHBondContact O-CB 3.48Å; Q929-M933 PolarHBondContact O-N 2.99Å |
| 930 | N | 74.1 | Confident | 71.9 | Confident | 75 Ų | 75 | 90.5 Ų | 90.5 | 40% | 0.401 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.5 | -43.3 | 175.2 | -76.7 | 15.3 | 0 | 0 | 0 | 111.7 | R926 Q927 Q932 M933 E934 | R926-N930 PolarHBondContact O-N 3.48Å; R926-N930 PolarHBondContact O-OD1 3.22Å; Q927-N930 PolarHBondContact O-N 2.82Å; N930-Q932 VanDerWaalsContact C-N 3.31Å; N930-Q932 PolarHBondContact O-N 3.41Å; N930-M933 WeakPolarHBondContact O-CB 3.48Å; N930-M933 PolarHBondContact O-N 3.34Å; N930-M933 VanDerWaalsContact O-N 3.09Å; N930-E934 WeakPolarHBondContact O-CG 3.39Å; N930-E934 PolarHBondContact O-N 3.13Å |
| 931 | Q | 77.6 | Confident | 73.4 | Confident | 111 Ų | 111 | 91.8 Ų | 91.8 | 52% | 0.519 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.7 | -35 | 175.3 | -71.3 | 177.3 | -24.7 | 0 | 0 | 112.6 | Q927 Q928 T935 | Q927-Q931 PolarHBondContact O-N 3.07Å; Q927-Q931 VanDerWaalsContact O-N 3.12Å; Q928-Q931 PolarHBondContact O-N 3.38Å; Q931-T935 WeakPolarHBondContact O-CG2 3.49Å; Q931-T935 PolarHBondContact O-N 2.92Å; Q931-T935 VanDerWaalsContact O-N 3.09Å; Q931-T935 PolarHBondContact O-OG1 3.49Å |
| 932 | Q | 76.6 | Confident | 74.9 | Confident | 95 Ų | 95 | 94.9 Ų | 94.9 | 44% | 0.444 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -68.5 | -36.1 | 171.5 | -72.5 | 175.5 | -22.1 | 0 | 0 | 112 | Q928 Q929 N930 T935 L936 | Q928-Q932 WeakPolarHBondContact O-CG 3.19Å; Q928-Q932 PolarHBondContact O-N 3.05Å; Q929-Q932 PolarHBondContact O-N 3.4Å; N930-Q932 VanDerWaalsContact C-N 3.31Å; N930-Q932 PolarHBondContact O-N 3.41Å; Q932-T935 WeakPolarHBondContact CA-OG1 3.28Å; Q932-T935 PolarHBondContact O-OG1 3.13Å; Q932-L936 WeakPolarHBondContact O-CB 3.25Å; Q932-L936 WeakPolarHBondContact O-CD1 3.46Å; Q932-L936 VanDerWaalsContact O-CG 3.25Å; Q932-L936 WeakPolarHBondContact O-CG 3.32Å; Q932-L936 PolarHBondContact O-N 3.26Å; Q932-L936 VanDerWaalsContact O-N 3.08Å |
| 933 | M | 77.6 | Confident | 75.8 | Confident | 34 Ų | 34 | 93.5 Ų | 93.5 | 17% | 0.167 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -66.6 | -45.7 | 174.1 | -178.7 | 177 | -70.6 | 0 | 0 | 111.8 | L910 Q929 N930 L936 Q937 | L910-M933 HydrophobicContact CD1-CG 3.65Å; L910-M933 HydrophobicContact CD1-SD 4.42Å; Q929-M933 WeakPolarHBondContact O-CB 3.48Å; Q929-M933 PolarHBondContact O-N 2.99Å; N930-M933 WeakPolarHBondContact O-CB 3.48Å; N930-M933 PolarHBondContact O-N 3.34Å; N930-M933 VanDerWaalsContact O-N 3.09Å; M933-L936 PolarHBondContact O-N 2.99Å; M933-Q937 HydrophobicContact CG-CG 4.43Å; M933-Q937 WeakPolarHBondContact O-CB 3.29Å; M933-Q937 VanDerWaalsContact O-CG 3.3Å; M933-Q937 WeakPolarHBondContact O-CG 3.35Å; M933-Q937 PolarHBondContact O-N 3.03Å |
| 934 | E | 80.9 | Confident | 76.8 | Confident | 124 Ų | 124 | 91.6 Ų | 91.6 | 58% | 0.579 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -62.5 | -45.4 | 179 | -73.3 | 171.9 | 168.6 | 0 | 0 | 111.8 | N930 Q937 Q938 | N930-E934 WeakPolarHBondContact O-CG 3.39Å; N930-E934 PolarHBondContact O-N 3.13Å; E934-Q937 PolarHBondContact O-N 3.38Å; E934-Q938 WeakPolarHBondContact O-CB 3.5Å; E934-Q938 PolarHBondContact O-N 2.86Å |
| 935 | T | 82.4 | Confident | 77.9 | Confident | 77 Ų | 77 | 94.5 Ų | 94.5 | 47% | 0.472 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.3 | -41.5 | 177.3 | 46.8 | 0 | 0 | 0 | 0 | 112.4 | Q931 Q932 Q938 Q939 | Q931-T935 WeakPolarHBondContact O-CG2 3.49Å; Q931-T935 PolarHBondContact O-N 2.92Å; Q931-T935 VanDerWaalsContact O-N 3.09Å; Q931-T935 PolarHBondContact O-OG1 3.49Å; Q932-T935 WeakPolarHBondContact CA-OG1 3.28Å; Q932-T935 PolarHBondContact O-OG1 3.13Å; T935-Q938 PolarHBondContact O-N 3.48Å; T935-Q939 WeakPolarHBondContact O-CG 3.43Å; T935-Q939 PolarHBondContact O-N 3Å |
| 936 | L | 79.4 | Confident | 78.8 | Confident | 40 Ų | 40 | 92.6 Ų | 92.6 | 21% | 0.209 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -65.2 | -39 | 173.1 | -73.5 | 169.5 | 0 | 0 | 0 | 112.5 | L906 L913 Q932 M933 Q938 L940 | L906-L936 HydrophobicContact CD2-CD2 3.9Å; L913-L936 HydrophobicContact CD1-CD1 3.41Å; L913-L936 VanDerWaalsContact CD1-CD1 3.41Å; Q932-L936 WeakPolarHBondContact O-CB 3.25Å; Q932-L936 WeakPolarHBondContact O-CD1 3.46Å; Q932-L936 VanDerWaalsContact O-CG 3.25Å; Q932-L936 WeakPolarHBondContact O-CG 3.32Å; Q932-L936 PolarHBondContact O-N 3.26Å; Q932-L936 VanDerWaalsContact O-N 3.08Å; M933-L936 PolarHBondContact O-N 2.99Å; L936-Q938 VanDerWaalsContact C-N 3.34Å; L936-L940 WeakPolarHBondContact O-CB 3.31Å; L936-L940 PolarHBondContact O-N 3.14Å |
| 937 | Q | 81.5 | Confident | 79.7 | Confident | 93 Ų | 93 | 87.7 Ų | 87.7 | 44% | 0.435 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.5 | -39.9 | 173.4 | -78.4 | -178.9 | 11.6 | 0 | 0 | 111.8 | L910 M933 E934 L940 K941 | L910-Q937 HydrophobicContact CD1-CG 3.83Å; L910-Q937 HydrophobicContact CD2-CG 3.82Å; M933-Q937 HydrophobicContact CG-CG 4.43Å; M933-Q937 WeakPolarHBondContact O-CB 3.29Å; M933-Q937 VanDerWaalsContact O-CG 3.3Å; M933-Q937 WeakPolarHBondContact O-CG 3.35Å; M933-Q937 PolarHBondContact O-N 3.03Å; E934-Q937 PolarHBondContact O-N 3.38Å; Q937-L940 PolarHBondContact O-N 3.37Å; Q937-K941 VanDerWaalsContact O-CB 3.3Å; Q937-K941 WeakPolarHBondContact O-CB 3.36Å; Q937-K941 PolarHBondContact O-N 2.93Å |
| 938 | Q | 84.2 | Confident | 80.2 | Confident | 142 Ų | 142 | 84.5 Ų | 84.5 | 66% | 0.664 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -68.7 | -43.6 | 179.2 | -168.9 | 167.3 | -0.4 | 0 | 0 | 111.9 | E934 T935 L936 K941 Q942 | E934-Q938 WeakPolarHBondContact O-CB 3.5Å; E934-Q938 PolarHBondContact O-N 2.86Å; T935-Q938 PolarHBondContact O-N 3.48Å; L936-Q938 VanDerWaalsContact C-N 3.34Å; Q938-K941 PolarHBondContact O-N 2.89Å; Q938-Q942 PolarHBondContact O-N 2.86Å |
| 939 | Q | 81.3 | Confident | 80.9 | Confident | 104 Ų | 104 | 83.3 Ų | 83.3 | 49% | 0.486 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.1 | -46.5 | 172.3 | -72.4 | 176 | -15.3 | 0 | 0 | 111.9 | T935 K941 Q942 L943 | T935-Q939 WeakPolarHBondContact O-CG 3.43Å; T935-Q939 PolarHBondContact O-N 3Å; Q939-K941 VanDerWaalsContact C-N 3.29Å; Q939-K941 PolarHBondContact O-N 3.03Å; Q939-Q942 PolarHBondContact O-N 3.23Å; Q939-L943 PolarHBondContact O-N 3.1Å |
| 940 | L | 84.5 | Confident | 81.2 | Confident | 19 Ų | 19 | 82.3 Ų | 82.3 | 10% | 0.099 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -61.8 | -35 | 177 | 170.5 | 149.9 | 0 | 0 | 0 | 112.3 | L906 K907 L910 L936 Q937 Q944 | L906-L940 HydrophobicContact CB-CB 4.39Å; L906-L940 HydrophobicContact CB-CD1 4.01Å; K907-L940 HydrophobicContact CB-CD1 4.46Å; K907-L940 HydrophobicContact CG-CD1 3.73Å; L910-L940 HydrophobicContact CD2-CD1 4.06Å; L936-L940 WeakPolarHBondContact O-CB 3.31Å; L936-L940 PolarHBondContact O-N 3.14Å; Q937-L940 PolarHBondContact O-N 3.37Å; L940-Q944 VanDerWaalsContact O-CB 3.27Å; L940-Q944 WeakPolarHBondContact O-CB 3.48Å; L940-Q944 WeakPolarHBondContact O-CG 3.31Å; L940-Q944 PolarHBondContact O-N 3.03Å |
| 941 | K | 85.1 | Confident | 81.3 | Confident | 157 Ų | 157 | 82.7 Ų | 82.7 | 68% | 0.683 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -70 | -39.8 | 173.9 | -173 | 176.8 | -179.3 | -179.5 | 0 | 112 | Q937 Q938 Q939 Y945 | Q937-K941 VanDerWaalsContact O-CB 3.3Å; Q937-K941 WeakPolarHBondContact O-CB 3.36Å; Q937-K941 PolarHBondContact O-N 2.93Å; Q938-K941 PolarHBondContact O-N 2.89Å; Q939-K941 VanDerWaalsContact C-N 3.29Å; Q939-K941 PolarHBondContact O-N 3.03Å; K941-Y945 PolarHBondContact O-N 3.03Å |
| 942 | Q | 84.4 | Confident | 81.6 | Confident | 121 Ų | 121 | 83.4 Ų | 83.4 | 57% | 0.565 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -65.8 | -47 | 176.5 | -175.6 | 174.7 | 0.3 | 0 | 0 | 111.9 | Q938 Q939 Y945 Q946 | Q938-Q942 PolarHBondContact O-N 2.86Å; Q939-Q942 PolarHBondContact O-N 3.23Å; Q942-Y945 WeakPolarHBondContact O-CB 3.29Å; Q942-Y945 PolarHBondContact O-N 2.89Å; Q942-Q946 WeakPolarHBondContact O-CG 3.19Å; Q942-Q946 PolarHBondContact O-N 3.45Å |
| 943 | L | 80.8 | Confident | 81.6 | Confident | 32 Ų | 32 | 83.8 Ų | 83.8 | 17% | 0.168 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -67.2 | -34.5 | 176.7 | -71 | 165.9 | 0 | 0 | 0 | 112.2 | L899 V903 L906 Q939 L947 | L899-L943 HydrophobicContact CD2-CD2 3.81Å; V903-L943 HydrophobicContact CG2-CB 3.74Å; L906-L943 HydrophobicContact CD1-CD1 3.45Å; L906-L943 VanDerWaalsContact CD1-CD1 3.45Å; Q939-L943 PolarHBondContact O-N 3.1Å; L943-L947 VanDerWaalsContact O-CB 3.23Å; L943-L947 WeakPolarHBondContact O-CB 3.32Å; L943-L947 PolarHBondContact O-N 2.88Å |
| 944 | Q | 82.3 | Confident | 81.5 | Confident | 72 Ų | 72 | 84.8 Ų | 84.8 | 34% | 0.336 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -65.5 | -38.3 | 171.4 | -80.6 | 177.1 | 30.3 | 0 | 0 | 112.9 | V903 L940 L947 A948 | V903-Q944 HydrophobicContact CG1-CG 3.69Å; V903-Q944 HydrophobicContact CG2-CG 4.29Å; L940-Q944 VanDerWaalsContact O-CB 3.27Å; L940-Q944 WeakPolarHBondContact O-CB 3.48Å; L940-Q944 WeakPolarHBondContact O-CG 3.31Å; L940-Q944 PolarHBondContact O-N 3.03Å; Q944-L947 PolarHBondContact O-N 3.05Å; Q944-A948 VanDerWaalsContact O-CB 3.32Å; Q944-A948 WeakPolarHBondContact O-CB 3.39Å; Q944-A948 PolarHBondContact O-N 2.97Å |
| 945 | Y | 87.1 | Confident | 81.2 | Confident | 152 Ų | 152 | 83.9 Ų | 83.9 | 60% | 0.596 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -62.6 | -50.3 | 174.1 | 179.3 | -86 | 0 | 0 | 0 | 111 | K941 Q942 L947 A948 E949 | K941-Y945 PolarHBondContact O-N 3.03Å; Q942-Y945 WeakPolarHBondContact O-CB 3.29Å; Q942-Y945 PolarHBondContact O-N 2.89Å; Y945-L947 VanDerWaalsContact C-N 3.32Å; Y945-L947 PolarHBondContact O-N 2.93Å; Y945-A948 PolarHBondContact O-N 3.37Å; Y945-A948 VanDerWaalsContact O-N 3.15Å; Y945-E949 HydrophobicContact CE1-CB 4.47Å; Y945-E949 VanDerWaalsContact CE1-OE2 3.32Å; Y945-E949 WeakPolarHBondContact CE1-OE2 3.41Å; Y945-E949 WeakPolarHBondContact O-CB 3.4Å; Y945-E949 PolarHBondContact O-N 2.91Å |
| 946 | Q | 79.5 | Confident | 81.1 | Confident | 82 Ų | 82 | 84.9 Ų | 84.9 | 38% | 0.383 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -60.2 | -40.1 | 177.6 | -70.9 | 175.1 | -20 | 0 | 0 | 112.4 | Q942 S950 | Q942-Q946 WeakPolarHBondContact O-CG 3.19Å; Q942-Q946 PolarHBondContact O-N 3.45Å; Q946-S950 VanDerWaalsContact O-CB 3.29Å; Q946-S950 WeakPolarHBondContact O-CB 3.28Å; Q946-S950 PolarHBondContact O-N 3.46Å |
| 947 | L | 84.8 | Confident | 80.9 | Confident | 16 Ų | 16 | 85.9 Ų | 85.9 | 8% | 0.084 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -67.2 | -37 | 176 | -174.3 | 63.5 | 0 | 0 | 0 | 112.5 | I896 L899 S900 V903 L943 Q944 Y945 K951 | I896-L947 HydrophobicContact CG2-CD1 4.11Å; L899-L947 HydrophobicContact CB-CD1 3.95Å; S900-L947 WeakPolarHBondContact OG-CD1 3.46Å; V903-L947 HydrophobicContact CB-CD2 4.45Å; V903-L947 HydrophobicContact CG2-CD2 4.28Å; L943-L947 VanDerWaalsContact O-CB 3.23Å; L943-L947 WeakPolarHBondContact O-CB 3.32Å; L943-L947 PolarHBondContact O-N 2.88Å; Q944-L947 PolarHBondContact O-N 3.05Å; Y945-L947 VanDerWaalsContact C-N 3.32Å; Y945-L947 PolarHBondContact O-N 2.93Å; L947-K951 HydrophobicContact CD1-CD 4.35Å; L947-K951 HydrophobicContact CG-CD 4.24Å; L947-K951 VanDerWaalsContact O-CB 3.32Å; L947-K951 WeakPolarHBondContact O-CB 3.39Å; L947-K951 VanDerWaalsContact O-CG 3.28Å; L947-K951 WeakPolarHBondContact O-CG 3.37Å; L947-K951 PolarHBondContact O-N 3.15Å |
| 948 | A | 80 | Confident | 80.5 | Confident | 60 Ų | 60 | 84.6 Ų | 84.6 | 50% | 0.496 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -70.5 | -41.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q944 Y945 K951 K952 | Q944-A948 VanDerWaalsContact O-CB 3.32Å; Q944-A948 WeakPolarHBondContact O-CB 3.39Å; Q944-A948 PolarHBondContact O-N 2.97Å; Y945-A948 PolarHBondContact O-N 3.37Å; Y945-A948 VanDerWaalsContact O-N 3.15Å; A948-K951 PolarHBondContact O-N 3.07Å; A948-K952 WeakPolarHBondContact O-CB 3.48Å; A948-K952 PolarHBondContact O-N 2.88Å |
| 949 | E | 84.9 | Confident | 80.1 | Confident | 88 Ų | 88 | 81.5 Ų | 81.5 | 41% | 0.411 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.9 | -45.4 | 175.6 | -174.3 | 166.3 | -133.4 | 0 | 0 | 111.4 | Y945 K952 Q953 | Y945-E949 HydrophobicContact CE1-CB 4.47Å; Y945-E949 VanDerWaalsContact CE1-OE2 3.32Å; Y945-E949 WeakPolarHBondContact CE1-OE2 3.41Å; Y945-E949 WeakPolarHBondContact O-CB 3.4Å; Y945-E949 PolarHBondContact O-N 2.91Å; E949-K952 PolarHBondContact O-N 3.33Å; E949-Q953 WeakPolarHBondContact O-CG 3.45Å; E949-Q953 PolarHBondContact O-N 3.46Å |
| 950 | S | 75.6 | Confident | 79.8 | Confident | 34 Ų | 34 | 79.9 Ų | 79.9 | 24% | 0.238 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -66.8 | -37.7 | 176.5 | -175.2 | 0 | 0 | 0 | 0 | 112.9 | I896 Q946 Q953 H954 | I896-S950 VanDerWaalsContact CG1-OG 3.32Å; I896-S950 WeakPolarHBondContact CG1-OG 3.45Å; Q946-S950 VanDerWaalsContact O-CB 3.29Å; Q946-S950 WeakPolarHBondContact O-CB 3.28Å; Q946-S950 PolarHBondContact O-N 3.46Å; S950-Q953 PolarHBondContact O-N 3.45Å; S950-H954 PolarHBondContact O-N 3.01Å |
| 951 | K | 77.9 | Confident | 79.1 | Confident | 83 Ų | 83 | 85.2 Ų | 85.2 | 36% | 0.361 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.7 | -41.5 | 173.2 | -77.4 | 178.4 | -179.6 | 177.2 | 0 | 112.3 | I896 S900 L947 A948 Q953 H954 D955 | I896-K951 HydrophobicContact CG2-CG 4.12Å; S900-K951 PolarHBondContact OG-NZ 3.33Å; L947-K951 HydrophobicContact CD1-CD 4.35Å; L947-K951 HydrophobicContact CG-CD 4.24Å; L947-K951 VanDerWaalsContact O-CB 3.32Å; L947-K951 WeakPolarHBondContact O-CB 3.39Å; L947-K951 VanDerWaalsContact O-CG 3.28Å; L947-K951 WeakPolarHBondContact O-CG 3.37Å; L947-K951 PolarHBondContact O-N 3.15Å; A948-K951 PolarHBondContact O-N 3.07Å; K951-Q953 VanDerWaalsContact C-N 3.33Å; K951-Q953 PolarHBondContact O-N 2.62Å; K951-H954 WeakPolarHBondContact O-CB 3.42Å; K951-H954 PolarHBondContact O-N 2.76Å; K951-H954 VanDerWaalsContact O-N 3.13Å; K951-D955 PolarHBondContact O-N 2.91Å |
| 952 | K | 83.8 | Confident | 78.5 | Confident | 126 Ų | 126 | 86.3 Ų | 86.3 | 55% | 0.548 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -57.8 | -44.5 | 174.1 | -179.5 | 177 | -179.7 | -75.9 | 0 | 111.9 | A948 E949 H954 D955 E956 | A948-K952 WeakPolarHBondContact O-CB 3.48Å; A948-K952 PolarHBondContact O-N 2.88Å; E949-K952 PolarHBondContact O-N 3.33Å; K952-H954 VanDerWaalsContact C-N 3.35Å; K952-D955 PolarHBondContact O-N 3.26Å; K952-E956 WeakPolarHBondContact CE-OE1 3.39Å; K952-E956 IonicContact NZ-OE1 2.62Å; K952-E956 PolarHBondContact NZ-OE1 3.31Å; K952-E956 WeakPolarHBondContact O-CB 3.35Å; K952-E956 VanDerWaalsContact O-CG 3.31Å; K952-E956 WeakPolarHBondContact O-CG 3.35Å; K952-E956 PolarHBondContact O-N 2.92Å |
| 953 | Q | 74.9 | Confident | 77.9 | Confident | 104 Ų | 104 | 84.7 Ų | 84.7 | 49% | 0.486 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.9 | -40.1 | 175.7 | -70.3 | 170.7 | 1.8 | 0 | 0 | 112 | E949 S950 K951 I957 | E949-Q953 WeakPolarHBondContact O-CG 3.45Å; E949-Q953 PolarHBondContact O-N 3.46Å; S950-Q953 PolarHBondContact O-N 3.45Å; K951-Q953 VanDerWaalsContact C-N 3.33Å; K951-Q953 PolarHBondContact O-N 2.62Å; Q953-I957 WeakPolarHBondContact O-CD1 3.47Å; Q953-I957 VanDerWaalsContact O-CG1 3.29Å; Q953-I957 WeakPolarHBondContact O-CG1 3.36Å; Q953-I957 PolarHBondContact O-N 2.97Å; Q953-I957 VanDerWaalsContact O-N 3.07Å |
| 954 | H | 76.1 | Confident | 77.2 | Confident | 55 Ų | 55 | 85.3 Ų | 85.3 | 26% | 0.255 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -65.8 | -44.8 | 175 | -176.3 | 87.6 | 0 | 0 | 0 | 112.2 | N893 I896 S950 K951 K952 E956 I957 V958 | N893-H954 PolarHBondContact OD1-CE1 3.15Å; N893-H954 PolarHBondContact OD1-ND1 3.01Å; N893-H954 VanDerWaalsContact OD1-ND1 3.15Å; I896-H954 HydrophobicContact CD1-CB 4.11Å; S950-H954 PolarHBondContact O-N 3.01Å; K951-H954 WeakPolarHBondContact O-CB 3.42Å; K951-H954 PolarHBondContact O-N 2.76Å; K951-H954 VanDerWaalsContact O-N 3.13Å; K952-H954 VanDerWaalsContact C-N 3.35Å; H954-E956 VanDerWaalsContact C-N 3.32Å; H954-E956 PolarHBondContact O-N 3.27Å; H954-I957 PolarHBondContact O-N 3.37Å; H954-V958 WeakPolarHBondContact NE2-CG2 3.23Å; H954-V958 WeakPolarHBondContact O-CB 3.41Å; H954-V958 WeakPolarHBondContact O-CG2 3.19Å; H954-V958 PolarHBondContact O-N 2.9Å |
| 955 | D | 74.4 | Confident | 76.3 | Confident | 104 Ų | 104 | 87.5 Ų | 87.5 | 56% | 0.556 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -63.6 | -36.8 | 177.6 | -71.1 | -33.7 | 0 | 0 | 0 | 111.9 | K951 K952 S959 | K951-D955 PolarHBondContact O-N 2.91Å; K952-D955 PolarHBondContact O-N 3.26Å; D955-S959 WeakPolarHBondContact O-CB 3.29Å; D955-S959 PolarHBondContact O-N 3.21Å |
| 956 | E | 80.3 | Confident | 75.4 | Confident | 98 Ų | 98 | 84.9 Ų | 84.9 | 46% | 0.458 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.9 | -48.1 | 171.7 | -76.6 | 168 | -174.7 | 0 | 0 | 111.4 | K952 H954 S959 V960 | K952-E956 WeakPolarHBondContact CE-OE1 3.39Å; K952-E956 IonicContact NZ-OE1 2.62Å; K952-E956 PolarHBondContact NZ-OE1 3.31Å; K952-E956 WeakPolarHBondContact O-CB 3.35Å; K952-E956 VanDerWaalsContact O-CG 3.31Å; K952-E956 WeakPolarHBondContact O-CG 3.35Å; K952-E956 PolarHBondContact O-N 2.92Å; H954-E956 VanDerWaalsContact C-N 3.32Å; H954-E956 PolarHBondContact O-N 3.27Å; E956-S959 PolarHBondContact O-N 2.89Å; E956-V960 WeakPolarHBondContact O-CG2 3.27Å; E956-V960 PolarHBondContact O-N 3.46Å |
| 957 | I | 75.4 | Confident | 74.6 | Confident | 62 Ų | 62 | 85.8 Ų | 85.8 | 32% | 0.318 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.1 | -46.5 | 176.7 | -70.5 | 165.7 | 0 | 0 | 0 | 111.4 | Q953 H954 S959 V960 Y961 | Q953-I957 WeakPolarHBondContact O-CD1 3.47Å; Q953-I957 VanDerWaalsContact O-CG1 3.29Å; Q953-I957 WeakPolarHBondContact O-CG1 3.36Å; Q953-I957 PolarHBondContact O-N 2.97Å; Q953-I957 VanDerWaalsContact O-N 3.07Å; H954-I957 PolarHBondContact O-N 3.37Å; I957-S959 VanDerWaalsContact C-N 3.35Å; I957-S959 PolarHBondContact O-N 3.34Å; I957-V960 PolarHBondContact O-N 3.36Å; I957-Y961 HydrophobicContact CG2-CD2 3.7Å; I957-Y961 HydrophobicContact CG2-CE2 3.66Å; I957-Y961 WeakPolarHBondContact O-CD2 3.32Å; I957-Y961 PolarHBondContact O-N 3.41Å |
| 958 | V | 74 | Confident | 73.3 | Confident | 65 Ų | 65 | 87.7 Ų | 87.7 | 39% | 0.394 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.4 | -37.7 | 178.9 | 169.7 | 0 | 0 | 0 | 0 | 111.5 | H954 Y961 R962 | H954-V958 WeakPolarHBondContact NE2-CG2 3.23Å; H954-V958 WeakPolarHBondContact O-CB 3.41Å; H954-V958 WeakPolarHBondContact O-CG2 3.19Å; H954-V958 PolarHBondContact O-N 2.9Å; V958-Y961 PolarHBondContact O-N 2.94Å; V958-R962 WeakPolarHBondContact O-CB 3.31Å; V958-R962 PolarHBondContact O-N 3.46Å |
| 959 | S | 74.2 | Confident | 72.2 | Confident | 78 Ų | 78 | 90.4 Ų | 90.4 | 55% | 0.545 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61 | -45.5 | 173.1 | -171.5 | 0 | 0 | 0 | 0 | 111.4 | D955 E956 I957 R962 M963 | D955-S959 WeakPolarHBondContact O-CB 3.29Å; D955-S959 PolarHBondContact O-N 3.21Å; E956-S959 PolarHBondContact O-N 2.89Å; I957-S959 VanDerWaalsContact C-N 3.35Å; I957-S959 PolarHBondContact O-N 3.34Å; S959-R962 PolarHBondContact O-N 3.37Å; S959-M963 WeakPolarHBondContact O-CB 3.5Å; S959-M963 PolarHBondContact O-N 3.29Å |
| 960 | V | 75.6 | Confident | 71.1 | Confident | 69 Ų | 69 | 92.2 Ų | 92.2 | 42% | 0.418 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62.2 | -46.7 | 175.9 | 171.7 | 0 | 0 | 0 | 0 | 111.6 | E956 I957 R962 M963 H964 | E956-V960 WeakPolarHBondContact O-CG2 3.27Å; E956-V960 PolarHBondContact O-N 3.46Å; I957-V960 PolarHBondContact O-N 3.36Å; V960-R962 PolarHBondContact O-N 2.89Å; V960-M963 PolarHBondContact O-N 2.93Å; V960-H964 PolarHBondContact O-N 2.93Å; V960-H964 PolarHBondContact O-ND1 3.24Å |
| 961 | Y | 70.6 | Confident | 70.1 | Confident | 131 Ų | 131 | 93.7 Ų | 93.7 | 51% | 0.514 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.7 | -40.4 | 175.9 | -84.9 | -66.4 | 0 | 0 | 0 | 112.6 | H885 I957 V958 M963 H964 L965 | H885-Y961 PolarHBondContact CE1-OH 2.98Å; I957-Y961 HydrophobicContact CG2-CD2 3.7Å; I957-Y961 HydrophobicContact CG2-CE2 3.66Å; I957-Y961 WeakPolarHBondContact O-CD2 3.32Å; I957-Y961 PolarHBondContact O-N 3.41Å; V958-Y961 PolarHBondContact O-N 2.94Å; Y961-M963 VanDerWaalsContact C-N 3.34Å; Y961-M963 PolarHBondContact O-N 3.5Å; Y961-H964 PolarHBondContact O-N 3.5Å; Y961-L965 WeakPolarHBondContact O-CB 3.15Å; Y961-L965 PolarHBondContact O-N 2.9Å |
| 962 | R | 72.5 | Confident | 69.1 | Low | 180 Ų | 180 | 95.1 Ų | 95.1 | 68% | 0.679 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65 | -37.6 | 177.5 | -173 | 178.5 | -179.1 | -155.8 | -1.1 | 112 | V958 S959 V960 L965 L966 | V958-R962 WeakPolarHBondContact O-CB 3.31Å; V958-R962 PolarHBondContact O-N 3.46Å; S959-R962 PolarHBondContact O-N 3.37Å; V960-R962 PolarHBondContact O-N 2.89Å; R962-L965 PolarHBondContact O-N 2.9Å; R962-L966 HydrophobicContact CG-CD1 4.46Å; R962-L966 WeakPolarHBondContact O-CG 3.45Å; R962-L966 PolarHBondContact O-N 2.99Å |
| 963 | M | 72 | Confident | 67.8 | Low | 88 Ų | 88 | 94.5 Ų | 94.5 | 43% | 0.433 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.6 | -46.2 | 173.9 | -176.3 | -177.3 | 71.6 | 0 | 0 | 111.7 | S959 V960 Y961 L965 L966 Y967 | S959-M963 WeakPolarHBondContact O-CB 3.5Å; S959-M963 PolarHBondContact O-N 3.29Å; V960-M963 PolarHBondContact O-N 2.93Å; Y961-M963 VanDerWaalsContact C-N 3.34Å; Y961-M963 PolarHBondContact O-N 3.5Å; M963-L965 VanDerWaalsContact C-N 3.34Å; M963-L965 PolarHBondContact O-N 2.9Å; M963-L966 WeakPolarHBondContact O-CB 3.1Å; M963-L966 PolarHBondContact O-N 2.91Å; M963-Y967 HydrophobicContact CG-CD2 3.99Å; M963-Y967 HydrophobicContact CG-CE2 3.6Å; M963-Y967 VanDerWaalsContact O-CD2 3.29Å; M963-Y967 WeakPolarHBondContact O-CD2 3.5Å; M963-Y967 PolarHBondContact O-N 3.24Å; M963-Y967 HydrophobicContact SD-CE2 4.12Å |
| 964 | H | 64.4 | Low | 67.1 | Low | 44 Ų | 44 | 94.8 Ų | 94.8 | 20% | 0.204 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -63.8 | -38.5 | 176.2 | -73.4 | 87.2 | 0 | 0 | 0 | 112.4 | V960 Y961 L966 Y967 A968 L981 | V960-H964 PolarHBondContact O-N 2.93Å; V960-H964 PolarHBondContact O-ND1 3.24Å; Y961-H964 PolarHBondContact O-N 3.5Å; H964-L966 VanDerWaalsContact C-N 3.32Å; H964-L966 PolarHBondContact O-N 3.03Å; H964-Y967 PolarHBondContact O-N 3Å; H964-A968 WeakPolarHBondContact O-CB 3.49Å; H964-A968 PolarHBondContact O-N 3.15Å; H964-L981 VanDerWaalsContact CD2-CD1 3.46Å; H964-L981 WeakPolarHBondContact CD2-CD1 3.42Å |
| 965 | L | 65.2 | Low | 66.4 | Low | 119 Ų | 119 | 98 Ų | 98 | 62% | 0.623 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.1 | -35.7 | 175.1 | -170.5 | 67.1 | 0 | 0 | 0 | 112 | Y961 R962 M963 V969 | Y961-L965 WeakPolarHBondContact O-CB 3.15Å; Y961-L965 PolarHBondContact O-N 2.9Å; R962-L965 PolarHBondContact O-N 2.9Å; M963-L965 VanDerWaalsContact C-N 3.34Å; M963-L965 PolarHBondContact O-N 2.9Å; L965-V969 WeakPolarHBondContact O-CB 3.32Å; L965-V969 VanDerWaalsContact O-CG2 3.25Å; L965-V969 WeakPolarHBondContact O-CG2 3.46Å; L965-V969 PolarHBondContact O-N 3.28Å |
| 966 | L | 66.6 | Low | 65.4 | Low | 96 Ų | 96 | 98.2 Ų | 98.2 | 50% | 0.503 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.1 | -48.2 | 173.8 | -76.9 | 163.6 | 0 | 0 | 0 | 111.7 | R962 M963 H964 A968 V969 Q970 | R962-L966 HydrophobicContact CG-CD1 4.46Å; R962-L966 WeakPolarHBondContact O-CG 3.45Å; R962-L966 PolarHBondContact O-N 2.99Å; M963-L966 WeakPolarHBondContact O-CB 3.1Å; M963-L966 PolarHBondContact O-N 2.91Å; H964-L966 VanDerWaalsContact C-N 3.32Å; H964-L966 PolarHBondContact O-N 3.03Å; L966-A968 VanDerWaalsContact C-N 3.33Å; L966-A968 PolarHBondContact O-N 2.7Å; L966-V969 PolarHBondContact O-N 3.5Å; L966-V969 VanDerWaalsContact O-N 3.17Å; L966-Q970 WeakPolarHBondContact O-CG 3.25Å; L966-Q970 PolarHBondContact O-N 3.02Å |
| 967 | Y | 63.7 | Low | 64.6 | Low | 102 Ų | 102 | 95.4 Ų | 95.4 | 40% | 0.4 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.7 | -41.7 | 175.8 | -75.2 | -59.5 | 0 | 0 | 0 | 112.6 | M963 H964 V969 Q970 G971 Q972 | M963-Y967 HydrophobicContact CG-CD2 3.99Å; M963-Y967 HydrophobicContact CG-CE2 3.6Å; M963-Y967 VanDerWaalsContact O-CD2 3.29Å; M963-Y967 WeakPolarHBondContact O-CD2 3.5Å; M963-Y967 PolarHBondContact O-N 3.24Å; M963-Y967 HydrophobicContact SD-CE2 4.12Å; H964-Y967 PolarHBondContact O-N 3Å; Y967-V969 PolarHBondContact O-N 2.73Å; Y967-Q970 PolarHBondContact O-N 2.96Å; Y967-G971 PolarHBondContact O-N 3.44Å; Y967-Q972 PolarHBondContact O-N 3.3Å |
| 968 | A | 58.1 | Low | 63.9 | Low | 55 Ų | 55 | 97.6 Ų | 97.6 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64 | -37.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | H964 L966 Q970 G971 | H964-A968 WeakPolarHBondContact O-CB 3.49Å; H964-A968 PolarHBondContact O-N 3.15Å; L966-A968 VanDerWaalsContact C-N 3.33Å; L966-A968 PolarHBondContact O-N 2.7Å; A968-Q970 VanDerWaalsContact C-N 3.34Å; A968-G971 PolarHBondContact O-N 2.85Å |
| 969 | V | 55.4 | Low | 63.3 | Low | 118 Ų | 118 | 99 Ų | 99 | 72% | 0.715 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -74.3 | -24.1 | 175.4 | 168.7 | 0 | 0 | 0 | 0 | 112.4 | L965 L966 Y967 G971 | L965-V969 WeakPolarHBondContact O-CB 3.32Å; L965-V969 VanDerWaalsContact O-CG2 3.25Å; L965-V969 WeakPolarHBondContact O-CG2 3.46Å; L965-V969 PolarHBondContact O-N 3.28Å; L966-V969 PolarHBondContact O-N 3.5Å; L966-V969 VanDerWaalsContact O-N 3.17Å; Y967-V969 PolarHBondContact O-N 2.73Å; V969-G971 VanDerWaalsContact C-N 3.35Å |
| 970 | Q | 63.1 | Low | 62.4 | Low | 125 Ų | 125 | 97.3 Ų | 97.3 | 58% | 0.584 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -3 | 174.2 | -70.8 | 179 | -66.5 | 0 | 0 | 113.9 | L966 Y967 A968 Q972 | L966-Q970 WeakPolarHBondContact O-CG 3.25Å; L966-Q970 PolarHBondContact O-N 3.02Å; Y967-Q970 PolarHBondContact O-N 2.96Å; A968-Q970 VanDerWaalsContact C-N 3.34Å; Q970-Q972 PolarHBondContact O-N 3.04Å |
| 971 | G | 54.1 | Low | 61.6 | Low | 65 Ų | 65 | 97.9 Ų | 97.9 | 67% | 0.67 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76 | -2.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y967 A968 V969 M973 | Y967-G971 PolarHBondContact O-N 3.44Å; A968-G971 PolarHBondContact O-N 2.85Å; V969-G971 VanDerWaalsContact C-N 3.35Å; G971-M973 PolarHBondContact O-N 2.91Å |
| 972 | Q | 56.3 | Low | 61.2 | Low | 113 Ų | 113 | 99.3 Ų | 99.3 | 53% | 0.528 | 51% | 0.511 | S | S | . | . | trans | -84.1 | 48.2 | -177.6 | -62.5 | -176.2 | -46.4 | 0 | 0 | 112.3 | Y967 Q970 D974 | Y967-Q972 PolarHBondContact O-N 3.3Å; Q970-Q972 PolarHBondContact O-N 3.04Å; Q972-D974 VanDerWaalsContact C-N 3.27Å; Q972-D974 PolarHBondContact O-N 2.89Å | ||
| 973 | M | 57.7 | Low | 60.4 | Low | 113 Ų | 113 | 97.1 Ų | 97.1 | 56% | 0.557 | 51% | 0.508 | S | S | * | . | trans | -92.8 | 51.2 | -175.5 | -155.6 | -173.5 | 75.2 | 0 | 0 | 112.7 | G971 V977 | G971-M973 PolarHBondContact O-N 2.91Å; M973-V977 HydrophobicContact CG-CG1 4.35Å | ||
| 974 | D | 59.3 | Low | 59.7 | Low | 111 Ų | 111 | 96.7 Ų | 96.7 | 59% | 0.594 | 51% | 0.507 | S | S | * | . | trans | -66.9 | 167.9 | -177.1 | -71.6 | -59.5 | 0 | 0 | 0 | 113.9 | Q972 D976 V977 Q978 | Q972-D974 VanDerWaalsContact C-N 3.27Å; Q972-D974 PolarHBondContact O-N 2.89Å; D974-D976 PolarHBondContact O-N 3.31Å; D974-V977 WeakPolarHBondContact O-CB 3.45Å; D974-V977 PolarHBondContact O-N 2.99Å; D974-Q978 PolarHBondContact O-N 3.08Å | ||
| 975 | E | 60.8 | Low | 59.3 | Low | 122 Ų | 122 | 100.2 Ų | 100.2 | 57% | 0.57 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -40.7 | -39.3 | 173.2 | -109.4 | -92.2 | 114.1 | 0 | 0 | 113.7 | Q978 K979 | E975-Q978 WeakPolarHBondContact O-CB 3.24Å; E975-Q978 PolarHBondContact O-N 3.17Å; E975-K979 WeakPolarHBondContact O-CG 3.27Å; E975-K979 PolarHBondContact O-N 3.18Å; E975-K979 WeakPolarHBondContact OE2-CE 3.42Å; E975-K979 IonicContact OE2-NZ 3.64Å; E975-K979 PolarHBondContact OE2-NZ 3.32Å |
| 976 | D | 54.6 | Low | 58.8 | Low | 109 Ų | 109 | 102.2 Ų | 102.2 | 58% | 0.583 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -77 | -25.9 | -177.4 | -64.2 | -22.6 | 0 | 0 | 0 | 113.4 | D974 Q978 K979 A980 | D974-D976 PolarHBondContact O-N 3.31Å; D976-Q978 VanDerWaalsContact C-N 3.34Å; D976-K979 PolarHBondContact O-N 3.37Å; D976-K979 WeakPolarHBondContact OD1-CD 3.47Å; D976-K979 IonicContact OD1-NZ 2.76Å; D976-K979 PolarHBondContact OD1-NZ 2.99Å; D976-A980 WeakPolarHBondContact O-CB 3.3Å; D976-A980 PolarHBondContact O-N 2.85Å |
| 977 | V | 63.3 | Low | 57.7 | Low | 38 Ų | 38 | 104 Ų | 104 | 23% | 0.23 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -69.1 | -37.2 | 168.2 | -176.4 | 0 | 0 | 0 | 0 | 109.9 | M973 D974 A980 L981 | M973-V977 HydrophobicContact CG-CG1 4.35Å; D974-V977 WeakPolarHBondContact O-CB 3.45Å; D974-V977 PolarHBondContact O-N 2.99Å; V977-A980 PolarHBondContact O-N 3.09Å; V977-L981 PolarHBondContact O-N 3.33Å |
| 978 | Q | 59.5 | Low | 57 | Low | 108 Ų | 108 | 104.2 Ų | 104.2 | 51% | 0.505 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.8 | -40.8 | 174.1 | -56.8 | -167.7 | 26.9 | 0 | 0 | 111.8 | D974 E975 D976 L981 K982 | D974-Q978 PolarHBondContact O-N 3.08Å; E975-Q978 WeakPolarHBondContact O-CB 3.24Å; E975-Q978 PolarHBondContact O-N 3.17Å; D976-Q978 VanDerWaalsContact C-N 3.34Å; Q978-L981 PolarHBondContact O-N 3.21Å; Q978-K982 VanDerWaalsContact O-CB 3.3Å; Q978-K982 WeakPolarHBondContact O-CB 3.3Å; Q978-K982 PolarHBondContact O-N 3.36Å |
| 979 | K | 61.6 | Low | 56.6 | Low | 94 Ų | 94 | 110 Ų | 110 | 41% | 0.409 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -61.4 | -42.9 | 172 | -69.5 | 165.2 | -158 | 149.8 | 0 | 111.5 | E975 D976 K982 Q983 | E975-K979 WeakPolarHBondContact O-CG 3.27Å; E975-K979 PolarHBondContact O-N 3.18Å; E975-K979 WeakPolarHBondContact OE2-CE 3.42Å; E975-K979 IonicContact OE2-NZ 3.64Å; E975-K979 PolarHBondContact OE2-NZ 3.32Å; D976-K979 PolarHBondContact O-N 3.37Å; D976-K979 WeakPolarHBondContact OD1-CD 3.47Å; D976-K979 IonicContact OD1-NZ 2.76Å; D976-K979 PolarHBondContact OD1-NZ 2.99Å; K979-K982 CarbonylContact O-C 3.58Å; K979-K982 PolarHBondContact O-N 2.92Å; K979-Q983 VanDerWaalsContact O-CB 3.31Å; K979-Q983 WeakPolarHBondContact O-CB 3.4Å; K979-Q983 PolarHBondContact O-N 2.79Å |
| 980 | A | 56.7 | Low | 55.7 | Low | 43 Ų | 43 | 109.6 Ų | 109.6 | 36% | 0.355 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -59.2 | -47 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | D976 V977 K982 Q983 I984 | D976-A980 WeakPolarHBondContact O-CB 3.3Å; D976-A980 PolarHBondContact O-N 2.85Å; V977-A980 PolarHBondContact O-N 3.09Å; A980-K982 PolarHBondContact O-N 3.31Å; A980-Q983 PolarHBondContact O-N 2.87Å; A980-I984 VanDerWaalsContact O-CG1 3.29Å; A980-I984 WeakPolarHBondContact O-CG1 3.48Å; A980-I984 PolarHBondContact O-N 3.29Å |
| 981 | L | 58.7 | Low | 54.8 | Low | 82 Ų | 82 | 108.4 Ų | 108.4 | 43% | 0.429 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -57.4 | -47.2 | 173.7 | -119.4 | 85.9 | 0 | 0 | 0 | 112 | H964 V977 Q978 Q983 I984 L985 | H964-L981 VanDerWaalsContact CD2-CD1 3.46Å; H964-L981 WeakPolarHBondContact CD2-CD1 3.42Å; V977-L981 PolarHBondContact O-N 3.33Å; Q978-L981 PolarHBondContact O-N 3.21Å; L981-Q983 VanDerWaalsContact C-N 3.26Å; L981-Q983 PolarHBondContact O-N 3.01Å; L981-I984 PolarHBondContact O-N 2.98Å; L981-L985 WeakPolarHBondContact O-CB 3.47Å; L981-L985 WeakPolarHBondContact O-CG 3.43Å; L981-L985 PolarHBondContact O-N 2.93Å |
| 982 | K | 61.4 | Low | 54.1 | Low | 161 Ų | 161 | 111.5 Ų | 111.5 | 70% | 0.7 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -66.3 | -28.2 | -179.1 | -157.7 | 169.4 | -169.6 | 170.4 | 0 | 112.2 | Q978 K979 A980 K986 | Q978-K982 VanDerWaalsContact O-CB 3.3Å; Q978-K982 WeakPolarHBondContact O-CB 3.3Å; Q978-K982 PolarHBondContact O-N 3.36Å; K979-K982 CarbonylContact O-C 3.58Å; K979-K982 PolarHBondContact O-N 2.92Å; A980-K982 PolarHBondContact O-N 3.31Å; K982-K986 PolarHBondContact O-N 3.15Å |
| 983 | Q | 56.5 | Low | 53.4 | Low | 133 Ų | 133 | 114.9 Ų | 114.9 | 62% | 0.621 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -81.3 | -39.6 | 174.3 | -172.6 | 153 | -31.9 | 0 | 0 | 112.2 | K979 A980 L981 K986 M987 | K979-Q983 VanDerWaalsContact O-CB 3.31Å; K979-Q983 WeakPolarHBondContact O-CB 3.4Å; K979-Q983 PolarHBondContact O-N 2.79Å; A980-Q983 PolarHBondContact O-N 2.87Å; L981-Q983 VanDerWaalsContact C-N 3.26Å; L981-Q983 PolarHBondContact O-N 3.01Å; Q983-K986 CarbonylContact O-C 3.51Å; Q983-K986 WeakPolarHBondContact O-CA 3.46Å; Q983-K986 WeakPolarHBondContact O-CB 3.35Å; Q983-K986 PolarHBondContact O-N 3.37Å; Q983-K986 VanDerWaalsContact O-N 3.1Å; Q983-M987 WeakPolarHBondContact O-CG 3.41Å; Q983-M987 PolarHBondContact O-N 3.4Å |
| 984 | I | 56.1 | Low | 52.4 | Low | 79 Ų | 79 | 113.7 Ų | 113.7 | 41% | 0.405 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -61.7 | -45.3 | 172.1 | -68.7 | 164.1 | 0 | 0 | 0 | 110.2 | A980 L981 K986 M987 C988 | A980-I984 VanDerWaalsContact O-CG1 3.29Å; A980-I984 WeakPolarHBondContact O-CG1 3.48Å; A980-I984 PolarHBondContact O-N 3.29Å; L981-I984 PolarHBondContact O-N 2.98Å; I984-K986 PolarHBondContact O-N 3.49Å; I984-M987 PolarHBondContact O-N 3.05Å; I984-C988 PolarHBondContact O-N 3.12Å; I984-C988 PolarHBondContact O-SG 2.85Å; I984-C988 VanDerWaalsContact O-SG 3.37Å |
| 985 | L | 57.5 | Low | 51.1 | Low | 119 Ų | 119 | 118.3 Ų | 118.3 | 62% | 0.623 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -62.2 | -23.8 | 173.6 | -78.6 | 163.5 | 0 | 0 | 0 | 113.8 | L981 | L981-L985 WeakPolarHBondContact O-CB 3.47Å; L981-L985 WeakPolarHBondContact O-CG 3.43Å; L981-L985 PolarHBondContact O-N 2.93Å |
| 986 | K | 52.9 | Low | 50 | Low | 161 Ų | 161 | 122 Ų | 122 | 70% | 0.7 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -79.9 | -38.5 | 168.5 | -85.1 | -176.5 | 171.9 | -175.9 | 0 | 112.6 | K982 Q983 I984 K989 | K982-K986 PolarHBondContact O-N 3.15Å; Q983-K986 CarbonylContact O-C 3.51Å; Q983-K986 WeakPolarHBondContact O-CA 3.46Å; Q983-K986 WeakPolarHBondContact O-CB 3.35Å; Q983-K986 PolarHBondContact O-N 3.37Å; Q983-K986 VanDerWaalsContact O-N 3.1Å; I984-K986 PolarHBondContact O-N 3.49Å; K986-K989 WeakPolarHBondContact O-CA 3.42Å; K986-K989 WeakPolarHBondContact O-CB 3.45Å; K986-K989 PolarHBondContact O-N 3.36Å |
| 987 | M | 44.5 | Very low | 49 | Very low | 134 Ų | 134 | 121.2 Ų | 121.2 | 66% | 0.66 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -65.4 | -38.6 | 176.9 | -69.9 | -67.7 | -71 | 0 | 0 | 111.7 | Q983 I984 K989 V990 | Q983-M987 WeakPolarHBondContact O-CG 3.41Å; Q983-M987 PolarHBondContact O-N 3.4Å; I984-M987 PolarHBondContact O-N 3.05Å; M987-K989 PolarHBondContact O-N 3.09Å; M987-V990 PolarHBondContact O-N 3.37Å |
| 988 | C | 49 | Very low | 47.5 | Very low | 106 Ų | 106 | 129.5 Ų | 129.5 | 72% | 0.716 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | 1.7 | 170.5 | -63.1 | 0 | 0 | 0 | 0 | 114.1 | I984 | I984-C988 PolarHBondContact O-N 3.12Å; I984-C988 PolarHBondContact O-SG 2.85Å; I984-C988 VanDerWaalsContact O-SG 3.37Å |
| 989 | K | 49.3 | Very low | 46.9 | Very low | 175 Ų | 175 | 130.6 Ų | 130.6 | 76% | 0.761 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.1 | 7.2 | -178.1 | -133 | 175.5 | -174 | -179.6 | 0 | 113.9 | K986 M987 | K986-K989 WeakPolarHBondContact O-CA 3.42Å; K986-K989 WeakPolarHBondContact O-CB 3.45Å; K986-K989 PolarHBondContact O-N 3.36Å; M987-K989 PolarHBondContact O-N 3.09Å |
| 990 | V | 37.6 | Very low | 46.1 | Very low | 110 Ų | 110 | 132.5 Ų | 132.5 | 67% | 0.667 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -72.9 | 128.5 | 170.7 | 179.7 | 0 | 0 | 0 | 0 | 109.2 | M987 | M987-V990 PolarHBondContact O-N 3.37Š|
| 991 | P | 44.1 | Very low | 45.6 | Very low | 100 Ų | 100 | 137.4 Ų | 137.4 | 65% | 0.649 | 75% | 0.748 | S | S | * | * | trans | -73.6 | 146.1 | -168.7 | 29 | -36.3 | 0 | 0 | 0 | 113.6 | Q993 | P991-Q993 PolarHBondContact O-N 2.99Š| ||
| 992 | S | 37.7 | Very low | 44.8 | Very low | 130 Ų | 130 | 140.7 Ų | 140.7 | 91% | 0.909 | 77% | 0.766 | S | S | * | * | trans | -77.1 | 50.2 | 179.7 | -47.5 | 0 | 0 | 0 | 0 | 114 | A994 | S992-A994 PolarHBondContact O-N 3.37Š| ||
| 993 | Q | 41.7 | Very low | 43.7 | Very low | 184 Ų | 184 | 139.4 Ų | 139.4 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | trans | -85 | 78.2 | 171.4 | -78.1 | -167.8 | -16.6 | 0 | 0 | 111.7 | P991 | P991-Q993 PolarHBondContact O-N 2.99Š| ||
| 994 | A | 36.8 | Very low | 42.9 | Very low | 88 Ų | 88 | 139.9 Ų | 139.9 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -179.7 | 96.1 | 151.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S992 | S992-A994 PolarHBondContact O-N 3.37Š| ||
| 995 | K | 33.6 | Very low | 41.9 | Very low | 209 Ų | 209 | 144.2 Ų | 144.2 | 91% | 0.909 | 81% | 0.807 | S | S | * | * | trans | 175.3 | 61.9 | 139.3 | -97.4 | 167.3 | -177.3 | 179 | 0 | 113.2 | ||||
| 996 | E | 36.9 | Very low | 40.7 | Very low | 199 Ų | 199 | 146.2 Ų | 146.2 | 93% | 0.93 | 82% | 0.822 | S | S | * | * | trans | -91.8 | 108.5 | 140.2 | -69 | -176.1 | 132.7 | 0 | 0 | 106.3 | ||||
| 997 | A | 34.3 | Very low | 39.7 | Very low | 92 Ų | 92 | 144.9 Ų | 144.9 | 76% | 0.76 | 83% | 0.832 | S | S | * | * | trans | 158.6 | 68.9 | 162.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 998 | C | 31.3 | Very low | 39.3 | Very low | 212 Ų | 212 | 145.9 Ų | 145.9 | 100% | 1.432 | 85% | 0.847 | S | S | * | * | trans | 168.8 | 0 | 149.6 | -90.7 | 0 | 0 | 0 | 0 | 109 |
Retrieved 998 of 998 residues in 182.6 ms
(Link to these results)