| 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 | 39.1 | Very low | 38 | Very low | 246 Ų | 246 | 146.1 Ų | 146.1 | 100% | 1.212 | 85% | 0.85 | S | S | * | * | 0 | 132.2 | 0 | -70.2 | 178.9 | -158.1 | 0 | 0 | 108.5 | |||||
| 2 | A | 38.5 | Very low | 38.3 | Very low | 98 Ų | 98 | 149.9 Ų | 149.9 | 81% | 0.81 | 85% | 0.849 | S | S | * | * | trans | 56.8 | 89 | 158.7 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 3 | L | 35.6 | Very low | 38.4 | Very low | 168 Ų | 168 | 149.3 Ų | 149.3 | 88% | 0.88 | 84% | 0.842 | S | S | * | * | trans | 0.6 | 121 | 130.4 | -54.8 | 171 | 0 | 0 | 0 | 116.8 | ||||
| 4 | S | 35.9 | Very low | 38.4 | Very low | 121 Ų | 121 | 151.6 Ų | 151.6 | 85% | 0.846 | 85% | 0.85 | S | S | * | * | 71.6 | 128.5 | 85.1 | -171.6 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 5 | G | 33.5 | Very low | 38.9 | Very low | 73 Ų | 73 | 154.3 Ų | 154.3 | 75% | 0.753 | 85% | 0.853 | S | S | * | * | trans | 165.7 | 80 | 162.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 6 | N | 35.6 | Very low | 38.7 | Very low | 145 Ų | 145 | 149.9 Ų | 149.9 | 78% | 0.775 | 84% | 0.843 | S | S | * | * | trans | -48 | 143.9 | 172.3 | -75.9 | 6.8 | 0 | 0 | 0 | 115.3 | R8 | N6-R8 PolarHBondContact O-N 3.18Š| ||
| 7 | C | 40.9 | Very low | 38.8 | Very low | 137 Ų | 137 | 147.9 Ų | 147.9 | 93% | 0.926 | 84% | 0.841 | S | S | * | * | trans | -53.5 | 114.1 | 154.8 | -60.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 8 | R | 34.9 | Very low | 39 | Very low | 223 Ų | 223 | 147.4 Ų | 147.4 | 84% | 0.842 | 84% | 0.841 | S | S | * | * | trans | -119.4 | 116.4 | 162.3 | -79.3 | -175.5 | 176.9 | 177 | -0.1 | 108.3 | N6 | N6-R8 PolarHBondContact O-N 3.18Š| ||
| 9 | T | 47.9 | Very low | 39.4 | Very low | 130 Ų | 130 | 147.4 Ų | 147.4 | 80% | 0.798 | 83% | 0.833 | S | S | * | * | trans | -58.4 | 153.7 | 152.8 | 46.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 10 | I | 35.9 | Very low | 39.8 | Very low | 156 Ų | 156 | 145.2 Ų | 145.2 | 80% | 0.8 | 82% | 0.819 | S | S | * | * | trans | 148 | 142.3 | 160.4 | -80.6 | 155.7 | 0 | 0 | 0 | 108.8 | ||||
| 11 | P | 40.2 | Very low | 41.2 | Very low | 110 Ų | 110 | 142.2 Ų | 142.2 | 71% | 0.714 | 81% | 0.808 | S | S | * | * | cis | -139.9 | 175.1 | -25.9 | 37.2 | -16.9 | 0 | 0 | 0 | 114.5 | ||||
| 12 | K | 41.6 | Very low | 43.1 | Very low | 192 Ų | 192 | 131.9 Ų | 131.9 | 84% | 0.835 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -68.4 | 151.7 | 154.2 | -75.6 | 176.7 | 174 | 177.3 | 0 | 109.7 | ||
| 13 | D | 39.7 | Very low | 45.3 | Very low | 142 Ų | 142 | 130.7 Ų | 130.7 | 76% | 0.759 | 74% | 0.74 | S | S | * | * | trans | 82.9 | 90.9 | 170.2 | -56.3 | -29.7 | 0 | 0 | 0 | 118.1 | ||||
| 14 | L | 38.7 | Very low | 47.8 | Very low | 182 Ų | 182 | 127.5 Ų | 127.5 | 95% | 0.953 | 72% | 0.724 | S | S | * | * | trans | -128.2 | 77.7 | 140.9 | -127.1 | 86.8 | 0 | 0 | 0 | 108.2 | A16 | L14-A16 PolarHBondContact O-N 3.49Š| ||
| 15 | Q | 45.2 | Very low | 50.6 | Low | 192 Ų | 192 | 125.4 Ų | 125.4 | 90% | 0.897 | 71% | 0.706 | S | S | * | * | trans | -78.6 | 106.8 | 154.1 | -94.3 | -176.2 | -0 | 0 | 0 | 107.7 | ||||
| 16 | A | 36.1 | Very low | 53.4 | Low | 83 Ų | 83 | 122 Ų | 122 | 69% | 0.686 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -175.2 | 117.2 | 143.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | L14 | L14-A16 PolarHBondContact O-N 3.49Š|
| 17 | S | 40.2 | Very low | 56.3 | Low | 117 Ų | 117 | 119 Ų | 119 | 82% | 0.818 | 65% | 0.651 | S | S | * | * | trans | 80 | 44 | 159.8 | 78.4 | 0 | 0 | 0 | 0 | 119.8 | Q19 | S17-Q19 PolarHBondContact O-N 3.13Š| ||
| 18 | V | 43.5 | Very low | 58.9 | Low | 139 Ų | 139 | 112.4 Ų | 112.4 | 84% | 0.842 | 61% | 0.607 | S | S | * | * | trans | -83.6 | 100 | 152.9 | -169.8 | 0 | 0 | 0 | 0 | 107.5 | N20 | V18-N20 PolarHBondContact O-N 3.27Å; V18-N20 VanDerWaalsContact O-N 3.13Å | ||
| 19 | Q | 45.8 | Very low | 61.9 | Low | 147 Ų | 147 | 102.5 Ų | 102.5 | 69% | 0.687 | 57% | 0.571 | S | S | * | * | trans | -43.4 | 120.6 | 172.2 | -65.8 | 176.3 | -20.7 | 0 | 0 | 109.1 | S17 S21 | S17-Q19 PolarHBondContact O-N 3.13Å; Q19-S21 PolarHBondContact O-N 3.22Å; Q19-S21 PolarHBondContact O-OG 2.88Å | ||
| 20 | N | 48.2 | Very low | 64.2 | Low | 102 Ų | 102 | 96.3 Ų | 96.3 | 55% | 0.545 | 53% | 0.533 | S | S | . | . | trans | -51.9 | 87.1 | 170.3 | -90.7 | 5 | 0 | 0 | 0 | 109.2 | V18 K57 | V18-N20 PolarHBondContact O-N 3.27Å; V18-N20 VanDerWaalsContact O-N 3.13Å; N20-K57 HydrophobicContact CB-CD 4.23Å; N20-K57 VanDerWaalsContact CB-CE 3.48Å; N20-K57 HydrophobicContact CB-CG 3.74Å; N20-K57 WeakPolarHBondContact O-CD 3.42Å; N20-K57 WeakPolarHBondContact O-CE 3.32Å; N20-K57 VanDerWaalsContact O-CG 3.31Å; N20-K57 WeakPolarHBondContact O-CG 3.47Å | ||
| 21 | S | 69.3 | Low | 67 | Low | 83 Ų | 83 | 91 Ų | 91 | 58% | 0.58 | 52% | 0.517 | S | S | * | . | trans | -130 | 133.2 | 179.4 | 49.6 | 0 | 0 | 0 | 0 | 104.4 | Q19 | Q19-S21 PolarHBondContact O-N 3.22Å; Q19-S21 PolarHBondContact O-OG 2.88Å | ||
| 22 | F | 77.4 | Confident | 69.5 | Low | 30 Ų | 30 | 88.6 Ų | 88.6 | 13% | 0.132 | 51% | 0.512 | C | S | . | . | trans | -59.1 | 141.3 | 176.5 | -69.8 | -85.3 | 0 | 0 | 0 | 108.5 | H39 F54 | F22-H39 HydrophobicContact CB-CB 4.32Å; F22-H39 WeakPolarHBondContact CB-CD2 3.39Å; F22-H39 AromaticContact CD2-CD2 3.69Å; F22-H39 AromaticContact CD2-NE2 3.3Å; F22-H39 VanDerWaalsContact CD2-NE2 3.3Å; F22-H39 WeakPolarHBondContact CD2-NE2 3.3Å; F22-H39 AromaticContact CG-CD2 3.54Å; F22-H39 AromaticContact CG-NE2 3.68Å; F22-F54 AromaticContact CD1-CD1 3.71Å; F22-F54 HydrophobicContact CD1-CD1 3.71Å; F22-F54 HydrophobicContact CD1-CE1 4.23Å; F22-F54 VanDerWaalsContact CD2-O 3.3Å; F22-F54 WeakPolarHBondContact CD2-O 3.35Å; F22-F54 AromaticContact CE1-CD1 3.49Å; F22-F54 HydrophobicContact CE1-CD1 3.49Å; F22-F54 VanDerWaalsContact CE1-CD1 3.49Å; F22-F54 AromaticContact CE1-CE1 3.98Å; F22-F54 HydrophobicContact CE1-CE1 3.98Å; F22-F54 HydrophobicContact CE1-CG 4.44Å; F22-F54 WeakPolarHBondContact CE2-O 3.02Å; F22-F54 HydrophobicContact CG-CD1 4.39Å; F22-F54 HydrophobicContact CZ-CB 4.45Å; F22-F54 HydrophobicContact CZ-CD1 4.03Å | ||
| 23 | P | 84.9 | Confident | 72.1 | Confident | 73 Ų | 73 | 83.1 Ų | 83.1 | 47% | 0.474 | 49% | 0.489 | S | S | . | . | trans | -58.2 | 150 | 173.5 | 26.6 | -34.4 | 0 | 0 | 0 | 109.8 | V25 V26 | P23-V25 WeakPolarHBondContact CB-O 3.21Å; P23-V25 WeakPolarHBondContact CG-O 3.42Å; P23-V25 PolarHBondContact O-N 2.65Å; P23-V26 HydrophobicContact CG-CG2 4.48Å | ||
| 24 | D | 88.5 | Confident | 74.9 | Confident | 101 Ų | 101 | 78.1 Ų | 78.1 | 54% | 0.54 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -56 | -39 | 179.7 | -177.1 | 39.7 | 0 | 0 | 0 | 111.1 | R38 H39 | D24-R38 CarbonylContact O-C 3.53Å; D24-R38 WeakPolarHBondContact O-CA 3.17Å; D24-R38 IonicContact OD2-NH1 3.99Å; D24-H39 PolarHBondContact O-N 3.39Å |
| 25 | V | 93.9 | Very high | 77.7 | Confident | 77 Ų | 77 | 71.1 Ų | 71.1 | 47% | 0.467 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 126.4 | 171.4 | -177.8 | 0 | 0 | 0 | 0 | 109.9 | P23 Y36 T37 | P23-V25 WeakPolarHBondContact CB-O 3.21Å; P23-V25 WeakPolarHBondContact CG-O 3.42Å; P23-V25 PolarHBondContact O-N 2.65Å; V25-Y36 HydrophobicContact CG1-CD1 4.39Å; V25-T37 WeakPolarHBondContact CA-O 3.44Å |
| 26 | V | 93.8 | Very high | 80.1 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 131.6 | -179.5 | -178.2 | 0 | 0 | 0 | 0 | 109.6 | P23 L28 T37 H39 L42 F54 Y71 | P23-V26 HydrophobicContact CG-CG2 4.48Å; V26-L28 HydrophobicContact CG1-CD2 3.78Å; V26-L28 HydrophobicContact CG1-CG 4.4Å; V26-T37 PolarHBondContact N-O 3.29Å; V26-T37 PolarHBondContact O-N 3.44Å; V26-T37 VanDerWaalsContact O-N 3.12Å; V26-H39 HydrophobicContact CG2-CB 4.08Å; V26-L42 HydrophobicContact CB-CD1 4.08Å; V26-L42 HydrophobicContact CG1-CD1 3.98Å; V26-L42 HydrophobicContact CG2-CD1 4.33Å; V26-F54 HydrophobicContact CG1-CD1 4.47Å; V26-F54 HydrophobicContact CG1-CE1 3.76Å; V26-F54 HydrophobicContact CG1-CZ 4.32Å; V26-Y71 HydrophobicContact CG1-CD2 3.68Å; V26-Y71 HydrophobicContact CG1-CE2 3.9Å |
| 27 | E | 95.4 | Very high | 83 | Confident | 82 Ų | 82 | 64.4 Ų | 64.4 | 38% | 0.383 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 124.2 | 174.2 | -55 | -166.7 | -167.3 | 0 | 0 | 110.8 | Y36 R70 Y71 | E27-Y36 HydrophobicContact CB-CE1 4.42Å; E27-Y36 HydrophobicContact CG-CD1 3.77Å; E27-Y36 HydrophobicContact CG-CE1 3.46Å; E27-Y36 VanDerWaalsContact CG-CE1 3.46Å; E27-Y36 WeakPolarHBondContact OE1-CE1 3.36Å; E27-R70 HydrophobicContact CB-CB 4.28Å; E27-R70 HydrophobicContact CB-CG 3.91Å; E27-R70 WeakPolarHBondContact OE2-CD 3.46Å; E27-R70 WeakPolarHBondContact OE2-CG 3.31Å; E27-Y71 PolarHBondContact O-N 3.07Å |
| 28 | L | 96.1 | Very high | 85.6 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 134.8 | 178.6 | -54.4 | 179.5 | 0 | 0 | 0 | 109.8 | V26 V30 V34 Y35 T37 L42 F54 Y71 F80 | V26-L28 HydrophobicContact CG1-CD2 3.78Å; V26-L28 HydrophobicContact CG1-CG 4.4Å; L28-V30 HydrophobicContact CB-CG2 4.25Å; L28-V34 CarbonylContact O-C 3.58Å; L28-V34 VanDerWaalsContact O-CA 3.3Å; L28-V34 WeakPolarHBondContact O-CA 3.44Å; L28-Y35 PolarHBondContact N-O 2.93Å; L28-Y35 PolarHBondContact O-N 3.39Å; L28-T37 HydrophobicContact CD1-CG2 4.2Å; L28-L42 HydrophobicContact CD1-CD1 4.28Å; L28-L42 HydrophobicContact CD1-CD2 3.98Å; L28-L42 HydrophobicContact CD2-CD1 4.4Å; L28-F54 HydrophobicContact CD2-CE1 4.38Å; L28-F54 HydrophobicContact CD2-CE2 4.27Å; L28-F54 HydrophobicContact CD2-CZ 3.62Å; L28-Y71 CarbonylContact C-O 3.56Å; L28-Y71 WeakPolarHBondContact CA-O 3.35Å; L28-Y71 HydrophobicContact CD2-CD2 4.43Å; L28-Y71 HydrophobicContact CD2-CG 4.5Å; L28-F80 HydrophobicContact CD1-CE1 4.05Å; L28-F80 HydrophobicContact CD1-CZ 3.92Å |
| 29 | N | 96.9 | Very high | 88 | Confident | 14 Ų | 14 | 61.4 Ų | 61.4 | 8% | 0.075 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 105.9 | 167.9 | -179.8 | -9.4 | 0 | 0 | 0 | 108.5 | G32 D66 R70 Y71 F72 I73 | N29-G32 WeakPolarHBondContact OD1-CA 3.43Å; N29-G32 PolarHBondContact OD1-N 2.99Å; N29-D66 PolarHBondContact ND2-OD2 3.09Å; N29-R70 HydrophobicContact CB-CB 4.46Å; N29-Y71 PolarHBondContact N-O 3.19Å; N29-F72 HydrophobicContact CB-CD2 4.15Å; N29-F72 CarbonylContact O-C 3.48Å; N29-F72 WeakPolarHBondContact O-CA 3.16Å; N29-F72 WeakPolarHBondContact O-CD2 3.43Å; N29-I73 PolarHBondContact O-N 2.93Å |
| 30 | V | 97.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 103 | -177.1 | -170.1 | 0 | 0 | 0 | 0 | 109.2 | L28 G32 Q33 Y35 I73 R75 G77 F80 | L28-V30 HydrophobicContact CB-CG2 4.25Å; V30-G32 PolarHBondContact O-N 2.88Å; V30-G32 VanDerWaalsContact O-N 3.1Å; V30-Q33 PolarHBondContact N-O 3.13Å; V30-Q33 WeakPolarHBondContact O-CB 3.38Å; V30-Q33 PolarHBondContact O-N 3.36Å; V30-Y35 HydrophobicContact CB-CD2 4.44Å; V30-Y35 HydrophobicContact CG2-CD2 4.13Å; V30-I73 CarbonylContact C-O 3.51Å; V30-I73 WeakPolarHBondContact CA-O 3.34Å; V30-I73 HydrophobicContact CB-CB 4.49Å; V30-I73 HydrophobicContact CG1-CB 4.24Å; V30-I73 HydrophobicContact CG1-CG2 4.18Å; V30-I73 HydrophobicContact CG2-CB 4.19Å; V30-I73 HydrophobicContact CG2-CD1 4.18Å; V30-R75 CarbonylContact C-O 3.59Å; V30-R75 HydrophobicContact CG1-CB 4Å; V30-G77 WeakPolarHBondContact O-CA 3.38Å; V30-F80 HydrophobicContact CB-CB 4.38Å; V30-F80 HydrophobicContact CB-CD1 4.44Å; V30-F80 HydrophobicContact CB-CG 4.27Å; V30-F80 HydrophobicContact CG1-CB 3.94Å; V30-F80 HydrophobicContact CG1-CD2 4.14Å; V30-F80 HydrophobicContact CG1-CG 3.99Å; V30-F80 HydrophobicContact CG2-CD1 3.75Å; V30-F80 HydrophobicContact CG2-CD2 4.22Å; V30-F80 HydrophobicContact CG2-CE1 3.92Å; V30-F80 HydrophobicContact CG2-CE2 4.38Å; V30-F80 HydrophobicContact CG2-CG 3.9Å; V30-F80 HydrophobicContact CG2-CZ 4.23Å |
| 31 | G | 94.4 | Very high | 92.5 | Very high | 46 Ų | 46 | 53.7 Ų | 53.7 | 47% | 0.474 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 27.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | I73 R75 | G31-I73 PolarHBondContact N-O 3.1Å; G31-R75 WeakPolarHBondContact CA-O 3.45Å; G31-R75 PolarHBondContact N-O 3.16Å |
| 32 | G | 92.6 | Very high | 93.7 | Very high | 58 Ų | 58 | 49.8 Ų | 49.8 | 60% | 0.598 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 99.9 | -15.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | N29 V30 | N29-G32 WeakPolarHBondContact OD1-CA 3.43Å; N29-G32 PolarHBondContact OD1-N 2.99Å; V30-G32 PolarHBondContact O-N 2.88Å; V30-G32 VanDerWaalsContact O-N 3.1Å |
| 33 | Q | 96.9 | Very high | 94.4 | Very high | 78 Ų | 78 | 50 Ų | 50 | 36% | 0.364 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 125.1 | 176 | -174.7 | 57.8 | 60.8 | 0 | 0 | 110.9 | V30 Y35 | V30-Q33 PolarHBondContact N-O 3.13Å; V30-Q33 WeakPolarHBondContact O-CB 3.38Å; V30-Q33 PolarHBondContact O-N 3.36Å; Q33-Y35 HydrophobicContact CB-CE2 3.91Å; Q33-Y35 HydrophobicContact CG-CD2 4.06Å; Q33-Y35 HydrophobicContact CG-CE2 3.32Å |
| 34 | V | 97.1 | Very high | 94.6 | Very high | 36 Ų | 36 | 48.5 Ų | 48.5 | 22% | 0.218 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 133.3 | -179.2 | -175.5 | 0 | 0 | 0 | 0 | 110.4 | L28 Y36 | L28-V34 CarbonylContact O-C 3.58Å; L28-V34 VanDerWaalsContact O-CA 3.3Å; L28-V34 WeakPolarHBondContact O-CA 3.44Å; V34-Y36 HydrophobicContact CG1-CD2 4.46Å; V34-Y36 HydrophobicContact CG1-CE2 3.79Å |
| 35 | Y | 97.7 | Very high | 94.7 | Very high | 35 Ų | 35 | 45 Ų | 45 | 14% | 0.137 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 144.3 | 176.1 | -72.6 | -84.5 | 0 | 0 | 0 | 111.1 | L28 V30 Q33 G77 F80 R81 L84 | L28-Y35 PolarHBondContact N-O 2.93Å; L28-Y35 PolarHBondContact O-N 3.39Å; V30-Y35 HydrophobicContact CB-CD2 4.44Å; V30-Y35 HydrophobicContact CG2-CD2 4.13Å; Q33-Y35 HydrophobicContact CB-CE2 3.91Å; Q33-Y35 HydrophobicContact CG-CD2 4.06Å; Q33-Y35 HydrophobicContact CG-CE2 3.32Å; Y35-G77 WeakPolarHBondContact CE2-O 3.4Å; Y35-G77 VanDerWaalsContact CZ-O 3.24Å; Y35-G77 PolarHBondContact OH-O 3.41Å; Y35-F80 HydrophobicContact CD1-CD1 4.39Å; Y35-F80 AromaticContact CD2-CD1 3.58Å; Y35-F80 HydrophobicContact CD2-CD1 3.58Å; Y35-F80 HydrophobicContact CD2-CE1 4.19Å; Y35-F80 HydrophobicContact CE2-CB 4.09Å; Y35-F80 AromaticContact CE2-CD1 3.7Å; Y35-F80 HydrophobicContact CE2-CD1 3.7Å; Y35-F80 HydrophobicContact CE2-CG 4.34Å; Y35-F80 AromaticContact CG-CD1 3.95Å; Y35-F80 HydrophobicContact CG-CD1 3.95Å; Y35-F80 HydrophobicContact CG-CE1 4.25Å; Y35-R81 HydrophobicContact CE1-CB 4.25Å; Y35-R81 PolarHBondContact OH-N 3.1Å; Y35-L84 HydrophobicContact CD1-CD2 3.92Å; Y35-L84 HydrophobicContact CG-CD2 4.43Å |
| 36 | Y | 96.6 | Very high | 94.3 | Very high | 127 Ų | 127 | 45.2 Ų | 45.2 | 50% | 0.498 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 129.8 | 172.4 | -65 | -95.9 | 0 | 0 | 0 | 108.5 | V25 E27 V34 R88 | V25-Y36 HydrophobicContact CG1-CD1 4.39Å; E27-Y36 HydrophobicContact CB-CE1 4.42Å; E27-Y36 HydrophobicContact CG-CD1 3.77Å; E27-Y36 HydrophobicContact CG-CE1 3.46Å; E27-Y36 VanDerWaalsContact CG-CE1 3.46Å; E27-Y36 WeakPolarHBondContact OE1-CE1 3.36Å; V34-Y36 HydrophobicContact CG1-CD2 4.46Å; V34-Y36 HydrophobicContact CG1-CE2 3.79Å; Y36-R88 PolarHBondContact O-NH2 3.33Å |
| 37 | T | 96.1 | Very high | 94 | Very high | 8 Ų | 8 | 51.2 Ų | 51.2 | 5% | 0.049 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 166.4 | 177.9 | -168 | 0 | 0 | 0 | 0 | 111.2 | V25 V26 L28 T41 L42 L84 | V25-T37 WeakPolarHBondContact CA-O 3.44Å; V26-T37 PolarHBondContact N-O 3.29Å; V26-T37 PolarHBondContact O-N 3.44Å; V26-T37 VanDerWaalsContact O-N 3.12Å; L28-T37 HydrophobicContact CD1-CG2 4.2Å; T37-T41 WeakPolarHBondContact OG1-CB 3.45Å; T37-L42 HydrophobicContact CG2-CD1 3.85Å; T37-L42 HydrophobicContact CG2-CD2 3.87Å; T37-L42 HydrophobicContact CG2-CG 3.75Å; T37-L84 HydrophobicContact CG2-CD1 4.2Å |
| 38 | R | 94.9 | Very high | 93.8 | Very high | 147 Ų | 147 | 47.3 Ų | 47.3 | 56% | 0.555 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 148.1 | 174 | -63.8 | -178.3 | -177.4 | -126.9 | 6.7 | 111.2 | D24 S40 T41 L42 | D24-R38 CarbonylContact O-C 3.53Å; D24-R38 WeakPolarHBondContact O-CA 3.17Å; D24-R38 IonicContact OD2-NH1 3.99Å; R38-S40 WeakPolarHBondContact CB-OG 3.35Å; R38-S40 PolarHBondContact O-N 3.13Å; R38-T41 WeakPolarHBondContact O-CB 3.28Å; R38-T41 PolarHBondContact O-N 3.49Å; R38-T41 VanDerWaalsContact O-N 3.12Å; R38-L42 PolarHBondContact O-N 2.79Å |
| 39 | H | 93.3 | Very high | 93.6 | Very high | 45 Ų | 45 | 49 Ų | 49 | 21% | 0.208 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -54.9 | -42.9 | 170.6 | 175.4 | -104.5 | 0 | 0 | 0 | 111 | F22 D24 V26 T41 L42 V43 F54 | F22-H39 HydrophobicContact CB-CB 4.32Å; F22-H39 WeakPolarHBondContact CB-CD2 3.39Å; F22-H39 AromaticContact CD2-CD2 3.69Å; F22-H39 AromaticContact CD2-NE2 3.3Å; F22-H39 VanDerWaalsContact CD2-NE2 3.3Å; F22-H39 WeakPolarHBondContact CD2-NE2 3.3Å; F22-H39 AromaticContact CG-CD2 3.54Å; F22-H39 AromaticContact CG-NE2 3.68Å; D24-H39 PolarHBondContact O-N 3.39Å; V26-H39 HydrophobicContact CG2-CB 4.08Å; H39-T41 VanDerWaalsContact C-N 3.25Å; H39-T41 PolarHBondContact O-N 2.93Å; H39-L42 PolarHBondContact O-N 3.12Å; H39-V43 WeakPolarHBondContact NE2-CG1 3.22Å; H39-V43 WeakPolarHBondContact O-CG2 3.25Å; H39-V43 PolarHBondContact O-N 2.87Å; H39-V43 VanDerWaalsContact O-N 3.09Å; H39-F54 PolarHBondContact NE2-O 3.31Å |
| 40 | S | 94 | Very high | 93.3 | Very high | 68 Ų | 68 | 48.4 Ų | 48.4 | 48% | 0.476 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -56 | -34.4 | 177.2 | 60 | 0 | 0 | 0 | 0 | 113.9 | R38 G44 | R38-S40 WeakPolarHBondContact CB-OG 3.35Å; R38-S40 PolarHBondContact O-N 3.13Å; S40-G44 WeakPolarHBondContact O-CA 3.18Å; S40-G44 PolarHBondContact O-N 2.89Å |
| 41 | T | 95.1 | Very high | 93 | Very high | 20 Ų | 20 | 48.4 Ų | 48.4 | 12% | 0.123 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68 | -40.5 | 176.2 | -54.6 | 0 | 0 | 0 | 0 | 111.7 | T37 R38 H39 L84 L87 R88 | T37-T41 WeakPolarHBondContact OG1-CB 3.45Å; R38-T41 WeakPolarHBondContact O-CB 3.28Å; R38-T41 PolarHBondContact O-N 3.49Å; R38-T41 VanDerWaalsContact O-N 3.12Å; H39-T41 VanDerWaalsContact C-N 3.25Å; H39-T41 PolarHBondContact O-N 2.93Å; T41-L84 HydrophobicContact CG2-CD1 4.21Å; T41-L87 HydrophobicContact CG2-CB 3.83Å; T41-R88 HydrophobicContact CG2-CG 3.61Å |
| 42 | L | 93.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -71.3 | -38 | -178.8 | -62.9 | 174.9 | 0 | 0 | 0 | 111.9 | V26 L28 T37 R38 H39 L50 G51 F54 | V26-L42 HydrophobicContact CB-CD1 4.08Å; V26-L42 HydrophobicContact CG1-CD1 3.98Å; V26-L42 HydrophobicContact CG2-CD1 4.33Å; L28-L42 HydrophobicContact CD1-CD1 4.28Å; L28-L42 HydrophobicContact CD1-CD2 3.98Å; L28-L42 HydrophobicContact CD2-CD1 4.4Å; T37-L42 HydrophobicContact CG2-CD1 3.85Å; T37-L42 HydrophobicContact CG2-CD2 3.87Å; T37-L42 HydrophobicContact CG2-CG 3.75Å; R38-L42 PolarHBondContact O-N 2.79Å; H39-L42 PolarHBondContact O-N 3.12Å; L42-L50 HydrophobicContact CD2-CB 4.38Å; L42-L50 HydrophobicContact CD2-CD1 4.04Å; L42-L50 CarbonylContact O-C 3.58Å; L42-G51 VanDerWaalsContact O-CA 3.31Å; L42-G51 WeakPolarHBondContact O-CA 3.46Å; L42-G51 PolarHBondContact O-N 3.27Å; L42-F54 HydrophobicContact CB-CB 4.16Å; L42-F54 HydrophobicContact CB-CD2 4.19Å; L42-F54 HydrophobicContact CB-CG 4.19Å; L42-F54 HydrophobicContact CD1-CD1 3.98Å; L42-F54 HydrophobicContact CD1-CD2 3.9Å; L42-F54 HydrophobicContact CD1-CE1 4.05Å; L42-F54 HydrophobicContact CD1-CE2 3.98Å; L42-F54 HydrophobicContact CD1-CG 3.91Å; L42-F54 HydrophobicContact CD1-CZ 4.06Å |
| 43 | V | 92.6 | Very high | 92.5 | Very high | 36 Ų | 36 | 50.6 Ų | 50.6 | 22% | 0.218 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -87 | -10.4 | 178 | -58.1 | 0 | 0 | 0 | 0 | 114 | H39 T45 F54 | H39-V43 WeakPolarHBondContact NE2-CG1 3.22Å; H39-V43 WeakPolarHBondContact O-CG2 3.25Å; H39-V43 PolarHBondContact O-N 2.87Å; H39-V43 VanDerWaalsContact O-N 3.09Å; V43-T45 PolarHBondContact O-N 2.79Å; V43-F54 HydrophobicContact CG1-CB 3.94Å; V43-F54 WeakPolarHBondContact CG1-O 3.3Å |
| 44 | G | 89.7 | Confident | 92 | Very high | 41 Ų | 41 | 47 Ų | 47 | 42% | 0.423 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -64.6 | -7.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | S40 K90 | S40-G44 WeakPolarHBondContact O-CA 3.18Å; S40-G44 PolarHBondContact O-N 2.89Å; G44-K90 PolarHBondContact O-NZ 3.22Å; G44-K90 VanDerWaalsContact O-NZ 3.08Å |
| 45 | T | 89.9 | Confident | 91.4 | Very high | 26 Ų | 26 | 48.3 Ų | 48.3 | 16% | 0.16 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -128.7 | 88.3 | 167 | -52.9 | 0 | 0 | 0 | 0 | 108.3 | V43 N47 S48 K90 L113 | V43-T45 PolarHBondContact O-N 2.79Å; T45-N47 PolarHBondContact O-N 2.88Å; T45-N47 VanDerWaalsContact O-N 3.16Å; T45-S48 WeakPolarHBondContact O-CB 3.15Å; T45-S48 PolarHBondContact O-N 2.84Å; T45-S48 PolarHBondContact O-OG 2.72Å; T45-K90 PolarHBondContact OG1-NZ 2.96Å; T45-L113 HydrophobicContact CG2-CD2 4.15Å |
| 46 | P | 86.4 | Confident | 90.1 | Very high | 82 Ų | 82 | 53.6 Ų | 53.6 | 53% | 0.532 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -26.6 | -169.3 | 24.5 | -34.6 | 0 | 0 | 0 | 113.4 | S48 | P46-S48 VanDerWaalsContact C-N 3.27Å; P46-S48 PolarHBondContact O-N 3.24Å |
| 47 | N | 86.3 | Confident | 88.3 | Confident | 126 Ų | 126 | 53 Ų | 53 | 67% | 0.674 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -12.3 | 178.9 | -65.3 | -20.4 | 0 | 0 | 0 | 113.5 | T45 K52 | T45-N47 PolarHBondContact O-N 2.88Å; T45-N47 VanDerWaalsContact O-N 3.16Å; N47-K52 VanDerWaalsContact O-CE 3.31Å; N47-K52 WeakPolarHBondContact O-CE 3.37Å; N47-K52 PolarHBondContact O-NZ 2.75Å |
| 48 | S | 92.3 | Very high | 86.4 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.007 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -76.1 | 162 | 177.6 | 73.4 | 0 | 0 | 0 | 0 | 112.1 | T45 P46 L50 G51 K52 F111 L113 | T45-S48 WeakPolarHBondContact O-CB 3.15Å; T45-S48 PolarHBondContact O-N 2.84Å; T45-S48 PolarHBondContact O-OG 2.72Å; P46-S48 VanDerWaalsContact C-N 3.27Å; P46-S48 PolarHBondContact O-N 3.24Å; S48-L50 PolarHBondContact O-N 2.84Å; S48-G51 PolarHBondContact O-N 3.39Å; S48-G51 PolarHBondContact OG-N 3.21Å; S48-K52 WeakPolarHBondContact O-CG 3.49Å; S48-K52 PolarHBondContact O-N 3.09Å; S48-F111 WeakPolarHBondContact CB-O 3.44Å; S48-L113 VanDerWaalsContact CB-CD2 3.5Å |
| 49 | L | 90.9 | Very high | 84.5 | Confident | 34 Ų | 34 | 53 Ų | 53 | 18% | 0.178 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.7 | -48.5 | 175.3 | -178.9 | 66 | 0 | 0 | 0 | 110.8 | G51 K52 L53 Y110 F111 Q112 | L49-G51 VanDerWaalsContact C-N 3.31Å; L49-G51 PolarHBondContact O-N 3.11Å; L49-K52 PolarHBondContact O-N 3.08Å; L49-L53 HydrophobicContact CD1-CD1 4.23Å; L49-L53 HydrophobicContact CD1-CG 4.39Å; L49-L53 HydrophobicContact CG-CD1 3.9Å; L49-L53 HydrophobicContact CG-CG 4.43Å; L49-L53 VanDerWaalsContact O-CG 3.26Å; L49-L53 WeakPolarHBondContact O-CG 3.4Å; L49-L53 PolarHBondContact O-N 3.28Å; L49-Y110 HydrophobicContact CD2-CD1 4.19Å; L49-Y110 HydrophobicContact CD2-CE1 3.65Å; L49-F111 HydrophobicContact CD2-CD1 4.38Å; L49-F111 PolarHBondContact N-O 2.94Å; L49-Q112 HydrophobicContact CB-CG 4.35Å |
| 50 | L | 91.7 | Very high | 82.8 | Confident | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.1 | -39.6 | 178 | -66.7 | 171.8 | 0 | 0 | 0 | 111.4 | L42 S48 K52 L53 F54 I73 F80 L87 F111 | L42-L50 HydrophobicContact CD2-CB 4.38Å; L42-L50 HydrophobicContact CD2-CD1 4.04Å; L42-L50 CarbonylContact O-C 3.58Å; S48-L50 PolarHBondContact O-N 2.84Å; L50-K52 VanDerWaalsContact C-N 3.34Å; L50-K52 PolarHBondContact O-N 3.38Å; L50-L53 PolarHBondContact O-N 2.95Å; L50-F54 HydrophobicContact CD2-CD2 4.35Å; L50-F54 HydrophobicContact CD2-CE2 3.97Å; L50-F54 WeakPolarHBondContact O-CB 3.3Å; L50-F54 WeakPolarHBondContact O-CD2 3.41Å; L50-F54 PolarHBondContact O-N 2.96Å; L50-I73 HydrophobicContact CD2-CD1 3.84Å; L50-F80 HydrophobicContact CD1-CE2 3.98Å; L50-F80 HydrophobicContact CD1-CZ 4.05Å; L50-L87 HydrophobicContact CD1-CD1 3.71Å; L50-F111 HydrophobicContact CD1-CD1 3.96Å; L50-F111 HydrophobicContact CD1-CE1 4.23Å; L50-F111 HydrophobicContact CD2-CD1 4.34Å; L50-F111 HydrophobicContact CD2-CE1 4.25Å; L50-F111 HydrophobicContact CG-CD1 3.87Å; L50-F111 HydrophobicContact CG-CE1 4.23Å |
| 51 | G | 90 | Very high | 81 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -55.6 | -48.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L42 S48 L49 S55 | L42-G51 VanDerWaalsContact O-CA 3.31Å; L42-G51 WeakPolarHBondContact O-CA 3.46Å; L42-G51 PolarHBondContact O-N 3.27Å; S48-G51 PolarHBondContact O-N 3.39Å; S48-G51 PolarHBondContact OG-N 3.21Å; L49-G51 VanDerWaalsContact C-N 3.31Å; L49-G51 PolarHBondContact O-N 3.11Å; G51-S55 WeakPolarHBondContact O-CB 3.47Å; G51-S55 PolarHBondContact O-N 3.42Å; G51-S55 PolarHBondContact O-OG 3.4Å |
| 52 | K | 89.1 | Confident | 79.7 | Confident | 100 Ų | 100 | 61 Ų | 61 | 44% | 0.435 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.8 | -42.6 | 178.9 | -67.8 | 167 | -171.1 | 169.1 | 0 | 112.8 | N47 S48 L49 L50 | N47-K52 VanDerWaalsContact O-CE 3.31Å; N47-K52 WeakPolarHBondContact O-CE 3.37Å; N47-K52 PolarHBondContact O-NZ 2.75Å; S48-K52 WeakPolarHBondContact O-CG 3.49Å; S48-K52 PolarHBondContact O-N 3.09Å; L49-K52 PolarHBondContact O-N 3.08Å; L50-K52 VanDerWaalsContact C-N 3.34Å; L50-K52 PolarHBondContact O-N 3.38Å |
| 53 | L | 87.8 | Confident | 79 | Confident | 50 Ų | 50 | 62.5 Ų | 62.5 | 26% | 0.262 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67.3 | -39.3 | -178.2 | -69.8 | 174.2 | 0 | 0 | 0 | 112.3 | L49 L50 L63 | L49-L53 HydrophobicContact CD1-CD1 4.23Å; L49-L53 HydrophobicContact CD1-CG 4.39Å; L49-L53 HydrophobicContact CG-CD1 3.9Å; L49-L53 HydrophobicContact CG-CG 4.43Å; L49-L53 VanDerWaalsContact O-CG 3.26Å; L49-L53 WeakPolarHBondContact O-CG 3.4Å; L49-L53 PolarHBondContact O-N 3.28Å; L50-L53 PolarHBondContact O-N 2.95Å; L53-L63 HydrophobicContact CB-CD2 4.25Å; L53-L63 HydrophobicContact CD1-CD2 3.98Å; L53-L63 HydrophobicContact CD2-CD2 3.79Å; L53-L63 HydrophobicContact CG-CD2 4.2Å |
| 54 | F | 87.8 | Confident | 78.8 | Confident | 2 Ų | 2 | 63.6 Ų | 63.6 | 1% | 0.009 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -98.7 | -1.8 | -177 | -69.2 | -85.9 | 0 | 0 | 0 | 113.9 | F22 V26 L28 H39 L42 V43 L50 L63 Y71 | F22-F54 AromaticContact CD1-CD1 3.71Å; F22-F54 HydrophobicContact CD1-CD1 3.71Å; F22-F54 HydrophobicContact CD1-CE1 4.23Å; F22-F54 VanDerWaalsContact CD2-O 3.3Å; F22-F54 WeakPolarHBondContact CD2-O 3.35Å; F22-F54 AromaticContact CE1-CD1 3.49Å; F22-F54 HydrophobicContact CE1-CD1 3.49Å; F22-F54 VanDerWaalsContact CE1-CD1 3.49Å; F22-F54 AromaticContact CE1-CE1 3.98Å; F22-F54 HydrophobicContact CE1-CE1 3.98Å; F22-F54 HydrophobicContact CE1-CG 4.44Å; F22-F54 WeakPolarHBondContact CE2-O 3.02Å; F22-F54 HydrophobicContact CG-CD1 4.39Å; F22-F54 HydrophobicContact CZ-CB 4.45Å; F22-F54 HydrophobicContact CZ-CD1 4.03Å; V26-F54 HydrophobicContact CG1-CD1 4.47Å; V26-F54 HydrophobicContact CG1-CE1 3.76Å; V26-F54 HydrophobicContact CG1-CZ 4.32Å; L28-F54 HydrophobicContact CD2-CE1 4.38Å; L28-F54 HydrophobicContact CD2-CE2 4.27Å; L28-F54 HydrophobicContact CD2-CZ 3.62Å; H39-F54 PolarHBondContact NE2-O 3.31Å; L42-F54 HydrophobicContact CB-CB 4.16Å; L42-F54 HydrophobicContact CB-CD2 4.19Å; L42-F54 HydrophobicContact CB-CG 4.19Å; L42-F54 HydrophobicContact CD1-CD1 3.98Å; L42-F54 HydrophobicContact CD1-CD2 3.9Å; L42-F54 HydrophobicContact CD1-CE1 4.05Å; L42-F54 HydrophobicContact CD1-CE2 3.98Å; L42-F54 HydrophobicContact CD1-CG 3.91Å; L42-F54 HydrophobicContact CD1-CZ 4.06Å; V43-F54 HydrophobicContact CG1-CB 3.94Å; V43-F54 WeakPolarHBondContact CG1-O 3.3Å; L50-F54 HydrophobicContact CD2-CD2 4.35Å; L50-F54 HydrophobicContact CD2-CE2 3.97Å; L50-F54 WeakPolarHBondContact O-CB 3.3Å; L50-F54 WeakPolarHBondContact O-CD2 3.41Å; L50-F54 PolarHBondContact O-N 2.96Å; F54-L63 HydrophobicContact CE1-CD1 4.19Å; F54-L63 HydrophobicContact CE2-CD1 4.42Å; F54-L63 HydrophobicContact CZ-CD1 4.01Å; F54-Y71 HydrophobicContact CE1-CD1 4.39Å; F54-Y71 AromaticContact CE1-CD2 3.93Å; F54-Y71 HydrophobicContact CE1-CD2 3.93Å; F54-Y71 HydrophobicContact CE1-CE1 4.47Å; F54-Y71 HydrophobicContact CE1-CE2 4.02Å; F54-Y71 HydrophobicContact CE1-CG 4.11Å; F54-Y71 HydrophobicContact CZ-CD1 4.45Å; F54-Y71 HydrophobicContact CZ-CD2 4.24Å; F54-Y71 HydrophobicContact CZ-CG 4.08Å |
| 55 | S | 83.3 | Confident | 78.9 | Confident | 65 Ų | 65 | 67.8 Ų | 67.8 | 46% | 0.455 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -90.7 | -30.3 | 173.4 | -64.2 | 0 | 0 | 0 | 0 | 113.4 | G51 | G51-S55 WeakPolarHBondContact O-CB 3.47Å; G51-S55 PolarHBondContact O-N 3.42Å; G51-S55 PolarHBondContact O-OG 3.4Å |
| 56 | K | 70.1 | Confident | 79 | Confident | 146 Ų | 146 | 67.3 Ų | 67.3 | 64% | 0.635 | 35% | 0.354 | S | S | * | . | trans | -87.2 | 119.6 | -178 | -74.5 | -173.6 | 178.3 | -175.7 | 0 | 110.7 | D58 A59 | K56-D58 PolarHBondContact O-N 2.95Å; K56-A59 HydrophobicContact CB-CB 3.83Å; K56-A59 PolarHBondContact O-N 3.45Å | ||
| 57 | K | 60.3 | Low | 79.2 | Confident | 114 Ų | 114 | 70.2 Ų | 70.2 | 50% | 0.496 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -33.1 | 178.3 | -166.8 | 162.7 | 177.2 | 177.1 | 0 | 113 | N20 S60 | N20-K57 HydrophobicContact CB-CD 4.23Å; N20-K57 VanDerWaalsContact CB-CE 3.48Å; N20-K57 HydrophobicContact CB-CG 3.74Å; N20-K57 WeakPolarHBondContact O-CD 3.42Å; N20-K57 WeakPolarHBondContact O-CE 3.32Å; N20-K57 VanDerWaalsContact O-CG 3.31Å; N20-K57 WeakPolarHBondContact O-CG 3.47Å; K57-S60 PolarHBondContact O-OG 3.48Å; K57-S60 VanDerWaalsContact O-OG 3.11Å |
| 58 | D | 54.6 | Low | 79.4 | Confident | 137 Ų | 137 | 71.9 Ų | 71.9 | 73% | 0.733 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -17.8 | -179.4 | -53.1 | -41.5 | 0 | 0 | 0 | 113.8 | K56 S60 | K56-D58 PolarHBondContact O-N 2.95Å; D58-S60 VanDerWaalsContact C-N 3.27Å; D58-S60 PolarHBondContact O-N 3.46Å |
| 59 | A | 55 | Low | 79.3 | Confident | 19 Ų | 19 | 73.6 Ų | 73.6 | 16% | 0.157 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -77.1 | -12.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | K56 N61 D62 | K56-A59 HydrophobicContact CB-CB 3.83Å; K56-A59 PolarHBondContact O-N 3.45Å; A59-N61 PolarHBondContact O-N 3.02Å; A59-D62 PolarHBondContact O-N 3Å |
| 60 | S | 57.7 | Low | 79.4 | Confident | 17 Ų | 17 | 73.9 Ų | 73.9 | 12% | 0.119 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -64.2 | -20 | 179.2 | 64.5 | 0 | 0 | 0 | 0 | 114.1 | K57 D58 R65 | K57-S60 PolarHBondContact O-OG 3.48Å; K57-S60 VanDerWaalsContact O-OG 3.11Å; D58-S60 VanDerWaalsContact C-N 3.27Å; D58-S60 PolarHBondContact O-N 3.46Å; S60-R65 PolarHBondContact O-NH2 3.21Å |
| 61 | N | 57.7 | Low | 79.4 | Confident | 134 Ų | 134 | 75 Ų | 75 | 72% | 0.717 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -89.8 | -23.7 | 176.2 | -84.7 | -11.9 | 0 | 0 | 0 | 113.8 | A59 | A59-N61 PolarHBondContact O-N 3.02Š|
| 62 | D | 66.1 | Low | 79.7 | Confident | 149 Ų | 149 | 78.5 Ų | 78.5 | 80% | 0.797 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -9.6 | -178.8 | -81.2 | -12.4 | 0 | 0 | 0 | 113.2 | A59 A64 | A59-D62 PolarHBondContact O-N 3Å; D62-A64 PolarHBondContact O-N 3.12Å |
| 63 | L | 79.8 | Confident | 80 | Confident | 31 Ų | 31 | 74.6 Ų | 74.6 | 16% | 0.162 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -76.8 | 124.1 | 178.1 | -69.7 | 174.1 | 0 | 0 | 0 | 110.8 | L53 F54 Y71 | L53-L63 HydrophobicContact CB-CD2 4.25Å; L53-L63 HydrophobicContact CD1-CD2 3.98Å; L53-L63 HydrophobicContact CD2-CD2 3.79Å; L53-L63 HydrophobicContact CG-CD2 4.2Å; F54-L63 HydrophobicContact CE1-CD1 4.19Å; F54-L63 HydrophobicContact CE2-CD1 4.42Å; F54-L63 HydrophobicContact CZ-CD1 4.01Å; L63-Y71 HydrophobicContact CB-CD1 3.67Å; L63-Y71 HydrophobicContact CB-CE1 4.06Å; L63-Y71 HydrophobicContact CD1-CD1 3.56Å; L63-Y71 HydrophobicContact CD1-CE1 3.7Å; L63-Y71 HydrophobicContact CD1-CG 4.47Å; L63-Y71 HydrophobicContact CG-CD1 4.26Å |
| 64 | A | 88.6 | Confident | 80.3 | Confident | 59 Ų | 59 | 78.4 Ų | 78.4 | 49% | 0.488 | 42% | 0.415 | S | S | . | . | trans | -52.4 | 141.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | D62 F72 | D62-A64 PolarHBondContact O-N 3.12Å; A64-F72 HydrophobicContact CB-CB 4.3Å; A64-F72 HydrophobicContact CB-CD1 4.41Å; A64-F72 PolarHBondContact O-N 2.8Å | ||
| 65 | R | 91.7 | Very high | 80.7 | Confident | 129 Ų | 129 | 81.8 Ų | 81.8 | 49% | 0.487 | 43% | 0.428 | S | S | . | . | B | Isolated β-bridge | trans | -125 | 147.2 | 176.2 | -61.9 | -173.7 | -175.1 | -158.4 | 6.3 | 110.5 | S60 R70 | S60-R65 PolarHBondContact O-NH2 3.21Å; R65-R70 CarbonylContact C-O 3.59Å; R65-R70 WeakPolarHBondContact CA-O 3.36Å |
| 66 | D | 91.8 | Very high | 81.3 | Confident | 17 Ų | 17 | 80.3 Ų | 80.3 | 9% | 0.091 | 42% | 0.415 | C | S | . | . | trans | -77.1 | 173 | 171.8 | 78.4 | 2.7 | 0 | 0 | 0 | 111.4 | N29 K68 G69 R70 | N29-D66 PolarHBondContact ND2-OD2 3.09Å; D66-K68 PolarHBondContact O-N 2.92Å; D66-K68 WeakPolarHBondContact OD1-CA 3.05Å; D66-K68 WeakPolarHBondContact OD1-CB 3.13Å; D66-K68 PolarHBondContact OD1-N 2.8Å; D66-G69 PolarHBondContact O-N 2.91Å; D66-G69 PolarHBondContact OD1-N 2.91Å; D66-G69 VanDerWaalsContact OD1-N 3.1Å; D66-R70 PolarHBondContact N-O 2.8Å; D66-R70 PolarHBondContact OD1-N 3.35Å; D66-R70 IonicContact OD1-NE 3.63Å; D66-R70 IonicContact OD2-CZ 3.16Å; D66-R70 IonicContact OD2-NE 2.75Å; D66-R70 PolarHBondContact OD2-NE 2.83Å; D66-R70 IonicContact OD2-NH2 2.72Å; D66-R70 PolarHBondContact OD2-NH2 2.76Å | ||
| 67 | P | 91 | Very high | 82.6 | Confident | 142 Ų | 142 | 73.7 Ų | 73.7 | 92% | 0.922 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -14.3 | 179.5 | -26 | 35.6 | 0 | 0 | 0 | 114.9 | ||
| 68 | K | 91.3 | Very high | 84.3 | Confident | 162 Ų | 162 | 75.7 Ų | 75.7 | 70% | 0.704 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | 4.7 | 176.5 | -61.3 | -172.3 | 178.2 | -175 | 0 | 112.2 | D66 | D66-K68 PolarHBondContact O-N 2.92Å; D66-K68 WeakPolarHBondContact OD1-CA 3.05Å; D66-K68 WeakPolarHBondContact OD1-CB 3.13Å; D66-K68 PolarHBondContact OD1-N 2.8Å |
| 69 | G | 89.2 | Confident | 86.2 | Confident | 37 Ų | 37 | 69.2 Ų | 69.2 | 38% | 0.381 | 36% | 0.362 | S | S | . | . | S | Bend | trans | 80.1 | 11.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | D66 | D66-G69 PolarHBondContact O-N 2.91Å; D66-G69 PolarHBondContact OD1-N 2.91Å; D66-G69 VanDerWaalsContact OD1-N 3.1Å |
| 70 | R | 92.8 | Very high | 88.2 | Confident | 40 Ų | 40 | 68.3 Ų | 68.3 | 15% | 0.151 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -84.2 | 146.8 | 179.2 | -57.9 | 175.9 | -66.2 | -157.7 | 8 | 110.5 | E27 N29 R65 D66 F72 | E27-R70 HydrophobicContact CB-CB 4.28Å; E27-R70 HydrophobicContact CB-CG 3.91Å; E27-R70 WeakPolarHBondContact OE2-CD 3.46Å; E27-R70 WeakPolarHBondContact OE2-CG 3.31Å; N29-R70 HydrophobicContact CB-CB 4.46Å; R65-R70 CarbonylContact C-O 3.59Å; R65-R70 WeakPolarHBondContact CA-O 3.36Å; D66-R70 PolarHBondContact N-O 2.8Å; D66-R70 PolarHBondContact OD1-N 3.35Å; D66-R70 IonicContact OD1-NE 3.63Å; D66-R70 IonicContact OD2-CZ 3.16Å; D66-R70 IonicContact OD2-NE 2.75Å; D66-R70 PolarHBondContact OD2-NE 2.83Å; D66-R70 IonicContact OD2-NH2 2.72Å; D66-R70 PolarHBondContact OD2-NH2 2.76Å; R70-F72 PolarHBondContact O-N 3Å |
| 71 | Y | 93 | Very high | 90.1 | Very high | 25 Ų | 25 | 73.3 Ų | 73.3 | 10% | 0.098 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 123.8 | 178.6 | -65.7 | -76.2 | 0 | 0 | 0 | 110.2 | V26 E27 L28 N29 F54 L63 | V26-Y71 HydrophobicContact CG1-CD2 3.68Å; V26-Y71 HydrophobicContact CG1-CE2 3.9Å; E27-Y71 PolarHBondContact O-N 3.07Å; L28-Y71 CarbonylContact C-O 3.56Å; L28-Y71 WeakPolarHBondContact CA-O 3.35Å; L28-Y71 HydrophobicContact CD2-CD2 4.43Å; L28-Y71 HydrophobicContact CD2-CG 4.5Å; N29-Y71 PolarHBondContact N-O 3.19Å; F54-Y71 HydrophobicContact CE1-CD1 4.39Å; F54-Y71 AromaticContact CE1-CD2 3.93Å; F54-Y71 HydrophobicContact CE1-CD2 3.93Å; F54-Y71 HydrophobicContact CE1-CE1 4.47Å; F54-Y71 HydrophobicContact CE1-CE2 4.02Å; F54-Y71 HydrophobicContact CE1-CG 4.11Å; F54-Y71 HydrophobicContact CZ-CD1 4.45Å; F54-Y71 HydrophobicContact CZ-CD2 4.24Å; F54-Y71 HydrophobicContact CZ-CG 4.08Å; L63-Y71 HydrophobicContact CB-CD1 3.67Å; L63-Y71 HydrophobicContact CB-CE1 4.06Å; L63-Y71 HydrophobicContact CD1-CD1 3.56Å; L63-Y71 HydrophobicContact CD1-CE1 3.7Å; L63-Y71 HydrophobicContact CD1-CG 4.47Å; L63-Y71 HydrophobicContact CG-CD1 4.26Å |
| 72 | F | 94.9 | Very high | 91.9 | Very high | 73 Ų | 73 | 67.9 Ų | 67.9 | 32% | 0.32 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 133.4 | -174.8 | -178.1 | -106.5 | 0 | 0 | 0 | 111.5 | N29 A64 R70 D74 | N29-F72 HydrophobicContact CB-CD2 4.15Å; N29-F72 CarbonylContact O-C 3.48Å; N29-F72 WeakPolarHBondContact O-CA 3.16Å; N29-F72 WeakPolarHBondContact O-CD2 3.43Å; A64-F72 HydrophobicContact CB-CB 4.3Å; A64-F72 HydrophobicContact CB-CD1 4.41Å; A64-F72 PolarHBondContact O-N 2.8Å; R70-F72 PolarHBondContact O-N 3Å; F72-D74 HydrophobicContact CE1-CB 3.87Å; F72-D74 HydrophobicContact CZ-CB 4.28Å |
| 73 | I | 94.9 | Very high | 93.3 | Very high | 19 Ų | 19 | 60.8 Ų | 60.8 | 10% | 0.097 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 118.9 | 176.5 | -59.3 | 175.6 | 0 | 0 | 0 | 107.5 | N29 V30 G31 L50 R75 F111 | N29-I73 PolarHBondContact O-N 2.93Å; V30-I73 CarbonylContact C-O 3.51Å; V30-I73 WeakPolarHBondContact CA-O 3.34Å; V30-I73 HydrophobicContact CB-CB 4.49Å; V30-I73 HydrophobicContact CG1-CB 4.24Å; V30-I73 HydrophobicContact CG1-CG2 4.18Å; V30-I73 HydrophobicContact CG2-CB 4.19Å; V30-I73 HydrophobicContact CG2-CD1 4.18Å; G31-I73 PolarHBondContact N-O 3.1Å; L50-I73 HydrophobicContact CD2-CD1 3.84Å; I73-R75 HydrophobicContact CG2-CB 3.9Å; I73-R75 HydrophobicContact CG2-CG 3.61Å; I73-R75 PolarHBondContact O-N 3.46Å; I73-F111 HydrophobicContact CD1-CE1 4.47Å; I73-F111 HydrophobicContact CG2-CE1 4.17Å; I73-F111 HydrophobicContact CG2-CZ 4.11Å |
| 74 | D | 95.6 | Very high | 94.1 | Very high | 130 Ų | 130 | 59.4 Ų | 59.4 | 70% | 0.695 | 30% | 0.295 | S | S | * | . | trans | -82.3 | 65.4 | -179.5 | -170.4 | 23.5 | 0 | 0 | 0 | 111.6 | F72 | F72-D74 HydrophobicContact CE1-CB 3.87Å; F72-D74 HydrophobicContact CZ-CB 4.28Å | ||
| 75 | R | 96.4 | Very high | 94.5 | Very high | 73 Ų | 73 | 58.8 Ų | 58.8 | 28% | 0.275 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -138.6 | 174.8 | -178.1 | -63.3 | -57.1 | -62.6 | 178.9 | 0.4 | 111.8 | V30 G31 I73 G77 E107 Y110 F111 | V30-R75 CarbonylContact C-O 3.59Å; V30-R75 HydrophobicContact CG1-CB 4Å; G31-R75 WeakPolarHBondContact CA-O 3.45Å; G31-R75 PolarHBondContact N-O 3.16Å; I73-R75 HydrophobicContact CG2-CB 3.9Å; I73-R75 HydrophobicContact CG2-CG 3.61Å; I73-R75 PolarHBondContact O-N 3.46Å; R75-G77 PolarHBondContact O-N 3.2Å; R75-G77 VanDerWaalsContact O-N 3.12Å; R75-E107 IonicContact CZ-OE1 2.71Å; R75-E107 IonicContact CZ-OE2 2.98Å; R75-E107 IonicContact NE-OE1 3.5Å; R75-E107 IonicContact NE-OE2 3.84Å; R75-E107 PolarHBondContact NE-OE2 3.31Å; R75-E107 IonicContact NH2-OE1 2.89Å; R75-E107 PolarHBondContact NH2-OE1 3.44Å; R75-E107 IonicContact NH2-OE2 2.64Å; R75-E107 PolarHBondContact NH2-OE2 2.92Å; R75-E107 VanDerWaalsContact NH2-OE2 3.14Å; R75-Y110 HydrophobicContact CG-CD1 3.73Å; R75-Y110 HydrophobicContact CG-CE1 3.37Å; R75-Y110 HydrophobicContact CG-CE2 4.45Å; R75-Y110 HydrophobicContact CG-CG 4.43Å; R75-F111 HydrophobicContact CB-CZ 4.26Å; R75-F111 HydrophobicContact CG-CZ 4.08Å |
| 76 | D | 96 | Very high | 94.7 | Very high | 34 Ų | 34 | 53.4 Ų | 53.4 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | trans | -68.2 | 108.3 | 179.3 | -168 | -49.9 | 0 | 0 | 0 | 111.9 | F78 L79 F80 R103 | D76-F78 VanDerWaalsContact C-N 3.33Å; D76-F78 PolarHBondContact O-N 3.46Å; D76-F78 PolarHBondContact OD1-N 3.17Å; D76-L79 HydrophobicContact CB-CB 4.19Å; D76-L79 HydrophobicContact CB-CD1 4.17Å; D76-L79 HydrophobicContact CB-CG 4.35Å; D76-L79 PolarHBondContact OD1-N 3.33Å; D76-F80 WeakPolarHBondContact O-CB 3.5Å; D76-F80 PolarHBondContact O-N 3.06Å; D76-F80 VanDerWaalsContact O-N 3.12Å; D76-R103 IonicContact OD2-CZ 3.1Å; D76-R103 IonicContact OD2-NH2 3.71Å; D76-R103 PolarHBondContact OD2-NH2 3.39Å | ||
| 77 | G | 95.8 | Very high | 94.8 | Very high | 6 Ų | 6 | 52.8 Ų | 52.8 | 6% | 0.062 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -31.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | V30 Y35 R75 | V30-G77 WeakPolarHBondContact O-CA 3.38Å; Y35-G77 WeakPolarHBondContact CE2-O 3.4Å; Y35-G77 VanDerWaalsContact CZ-O 3.24Å; Y35-G77 PolarHBondContact OH-O 3.41Å; R75-G77 PolarHBondContact O-N 3.2Å; R75-G77 VanDerWaalsContact O-N 3.12Å |
| 78 | F | 95.6 | Very high | 95 | Very high | 157 Ų | 157 | 51.6 Ų | 51.6 | 69% | 0.689 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -41.2 | -178.1 | -68.8 | -75.3 | 0 | 0 | 0 | 111.6 | D76 F80 | D76-F78 VanDerWaalsContact C-N 3.33Å; D76-F78 PolarHBondContact O-N 3.46Å; D76-F78 PolarHBondContact OD1-N 3.17Å; F78-F80 VanDerWaalsContact C-N 3.28Å; F78-F80 PolarHBondContact O-N 2.86Å |
| 79 | L | 95.8 | Very high | 95 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -27.3 | 177.3 | -66.4 | 178 | 0 | 0 | 0 | 112.5 | D76 R81 Y82 F98 E100 R103 L104 E107 | D76-L79 HydrophobicContact CB-CB 4.19Å; D76-L79 HydrophobicContact CB-CD1 4.17Å; D76-L79 HydrophobicContact CB-CG 4.35Å; D76-L79 PolarHBondContact OD1-N 3.33Å; L79-R81 PolarHBondContact O-N 3.36Å; L79-R81 VanDerWaalsContact O-N 3.13Å; L79-Y82 HydrophobicContact CD2-CD2 4.49Å; L79-Y82 PolarHBondContact O-N 3.45Å; L79-Y82 VanDerWaalsContact O-N 3.12Å; L79-F98 HydrophobicContact CD2-CE1 4.48Å; L79-F98 HydrophobicContact CD2-CZ 3.74Å; L79-E100 HydrophobicContact CD2-CB 3.96Å; L79-E100 WeakPolarHBondContact CD2-OE2 3.26Å; L79-R103 HydrophobicContact CD1-CB 3.5Å; L79-R103 VanDerWaalsContact CD1-CB 3.5Å; L79-L104 HydrophobicContact CB-CD1 4.36Å; L79-L104 HydrophobicContact CD2-CB 4.29Å; L79-E107 HydrophobicContact CB-CG 3.95Å; L79-E107 HydrophobicContact CD1-CG 4Å |
| 80 | F | 97.4 | Very high | 95.1 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 0% | 0.004 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.5 | -27.1 | 178 | -170.7 | -103.2 | 0 | 0 | 0 | 113.6 | L28 V30 Y35 L50 D76 F78 Y82 V83 L84 F111 | L28-F80 HydrophobicContact CD1-CE1 4.05Å; L28-F80 HydrophobicContact CD1-CZ 3.92Å; V30-F80 HydrophobicContact CB-CB 4.38Å; V30-F80 HydrophobicContact CB-CD1 4.44Å; V30-F80 HydrophobicContact CB-CG 4.27Å; V30-F80 HydrophobicContact CG1-CB 3.94Å; V30-F80 HydrophobicContact CG1-CD2 4.14Å; V30-F80 HydrophobicContact CG1-CG 3.99Å; V30-F80 HydrophobicContact CG2-CD1 3.75Å; V30-F80 HydrophobicContact CG2-CD2 4.22Å; V30-F80 HydrophobicContact CG2-CE1 3.92Å; V30-F80 HydrophobicContact CG2-CE2 4.38Å; V30-F80 HydrophobicContact CG2-CG 3.9Å; V30-F80 HydrophobicContact CG2-CZ 4.23Å; Y35-F80 HydrophobicContact CD1-CD1 4.39Å; Y35-F80 AromaticContact CD2-CD1 3.58Å; Y35-F80 HydrophobicContact CD2-CD1 3.58Å; Y35-F80 HydrophobicContact CD2-CE1 4.19Å; Y35-F80 HydrophobicContact CE2-CB 4.09Å; Y35-F80 AromaticContact CE2-CD1 3.7Å; Y35-F80 HydrophobicContact CE2-CD1 3.7Å; Y35-F80 HydrophobicContact CE2-CG 4.34Å; Y35-F80 AromaticContact CG-CD1 3.95Å; Y35-F80 HydrophobicContact CG-CD1 3.95Å; Y35-F80 HydrophobicContact CG-CE1 4.25Å; L50-F80 HydrophobicContact CD1-CE2 3.98Å; L50-F80 HydrophobicContact CD1-CZ 4.05Å; D76-F80 WeakPolarHBondContact O-CB 3.5Å; D76-F80 PolarHBondContact O-N 3.06Å; D76-F80 VanDerWaalsContact O-N 3.12Å; F78-F80 VanDerWaalsContact C-N 3.28Å; F78-F80 PolarHBondContact O-N 2.86Å; F80-Y82 VanDerWaalsContact C-N 3.29Å; F80-Y82 PolarHBondContact O-N 2.89Å; F80-V83 HydrophobicContact CD2-CB 4.25Å; F80-V83 HydrophobicContact CD2-CG1 4.38Å; F80-V83 HydrophobicContact CE2-CG1 4.25Å; F80-V83 WeakPolarHBondContact O-CB 3.36Å; F80-V83 PolarHBondContact O-N 3.48Å; F80-V83 VanDerWaalsContact O-N 3.14Å; F80-L84 HydrophobicContact CD1-CB 4.47Å; F80-L84 HydrophobicContact CE1-CB 4.24Å; F80-L84 HydrophobicContact CE1-CD1 4.45Å; F80-L84 HydrophobicContact CE1-CD2 4.38Å; F80-L84 WeakPolarHBondContact O-CB 3.45Å; F80-L84 PolarHBondContact O-N 3.22Å; F80-F111 HydrophobicContact CD2-CE1 4.31Å; F80-F111 AromaticContact CD2-CE2 3.69Å; F80-F111 HydrophobicContact CD2-CE2 3.69Å; F80-F111 AromaticContact CD2-CZ 3.52Å; F80-F111 HydrophobicContact CD2-CZ 3.52Å; F80-F111 AromaticContact CE2-CE1 3.87Å; F80-F111 HydrophobicContact CE2-CE1 3.87Å; F80-F111 HydrophobicContact CE2-CE2 4Å; F80-F111 AromaticContact CE2-CZ 3.55Å; F80-F111 HydrophobicContact CE2-CZ 3.55Å |
| 81 | R | 95.9 | Very high | 94.7 | Very high | 121 Ų | 121 | 56.9 Ų | 56.9 | 46% | 0.457 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -52.3 | -48.2 | 174.2 | -177.2 | 175 | 68.7 | 162 | 2.5 | 111.9 | Y35 L79 V83 L84 D85 | Y35-R81 HydrophobicContact CE1-CB 4.25Å; Y35-R81 PolarHBondContact OH-N 3.1Å; L79-R81 PolarHBondContact O-N 3.36Å; L79-R81 VanDerWaalsContact O-N 3.13Å; R81-V83 VanDerWaalsContact C-N 3.34Å; R81-V83 PolarHBondContact O-N 3.26Å; R81-L84 WeakPolarHBondContact O-CB 3.41Å; R81-L84 PolarHBondContact O-N 2.89Å; R81-D85 PolarHBondContact O-N 3.19Å |
| 82 | Y | 96.3 | Very high | 94.5 | Very high | 21 Ų | 21 | 57.1 Ų | 57.1 | 8% | 0.082 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -70.5 | -31.4 | -178.5 | -57.1 | -70.8 | 0 | 0 | 0 | 112.7 | L79 F80 L84 Y86 V92 L94 F98 L104 | L79-Y82 HydrophobicContact CD2-CD2 4.49Å; L79-Y82 PolarHBondContact O-N 3.45Å; L79-Y82 VanDerWaalsContact O-N 3.12Å; F80-Y82 VanDerWaalsContact C-N 3.29Å; F80-Y82 PolarHBondContact O-N 2.89Å; Y82-L84 VanDerWaalsContact C-N 3.33Å; Y82-Y86 WeakPolarHBondContact O-CB 3.48Å; Y82-Y86 PolarHBondContact O-N 3.38Å; Y82-V92 HydrophobicContact CD1-CG2 4.26Å; Y82-L94 HydrophobicContact CD1-CD2 3.64Å; Y82-L94 HydrophobicContact CE1-CD2 3.97Å; Y82-L94 HydrophobicContact CG-CD2 4.02Å; Y82-F98 HydrophobicContact CD2-CE2 4.42Å; Y82-F98 AromaticContact CD2-CZ 3.95Å; Y82-F98 HydrophobicContact CD2-CZ 3.95Å; Y82-F98 AromaticContact CE2-CE2 3.53Å; Y82-F98 HydrophobicContact CE2-CE2 3.53Å; Y82-F98 AromaticContact CE2-CZ 3.48Å; Y82-F98 HydrophobicContact CE2-CZ 3.48Å; Y82-F98 VanDerWaalsContact CE2-CZ 3.48Å; Y82-F98 AromaticContact CZ-CE2 3.68Å; Y82-L104 HydrophobicContact CD2-CD1 4.3Å; Y82-L104 HydrophobicContact CD2-CD2 4.17Å; Y82-L104 HydrophobicContact CG-CD1 4.45Å; Y82-L104 HydrophobicContact CG-CD2 4.04Å |
| 83 | V | 96.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 171.4 | 175.4 | 0 | 0 | 0 | 0 | 109.8 | F80 R81 Y86 L87 L104 E107 F111 L113 | F80-V83 HydrophobicContact CD2-CB 4.25Å; F80-V83 HydrophobicContact CD2-CG1 4.38Å; F80-V83 HydrophobicContact CE2-CG1 4.25Å; F80-V83 WeakPolarHBondContact O-CB 3.36Å; F80-V83 PolarHBondContact O-N 3.48Å; F80-V83 VanDerWaalsContact O-N 3.14Å; R81-V83 VanDerWaalsContact C-N 3.34Å; R81-V83 PolarHBondContact O-N 3.26Å; V83-Y86 PolarHBondContact O-N 3.13Å; V83-L87 HydrophobicContact CG1-CD1 4.43Å; V83-L87 WeakPolarHBondContact O-CG 3.47Å; V83-L87 PolarHBondContact O-N 2.88Å; V83-L104 HydrophobicContact CG2-CD1 4.15Å; V83-E107 HydrophobicContact CG2-CB 4.23Å; V83-F111 HydrophobicContact CB-CD2 4.46Å; V83-F111 HydrophobicContact CG1-CB 4.41Å; V83-F111 HydrophobicContact CG1-CD2 3.82Å; V83-F111 HydrophobicContact CG1-CE2 4.38Å; V83-F111 HydrophobicContact CG1-CG 4.15Å; V83-F111 HydrophobicContact CG2-CD2 4.02Å; V83-F111 HydrophobicContact CG2-CE2 4.34Å; V83-L113 HydrophobicContact CG1-CD1 3.69Å |
| 84 | L | 96.5 | Very high | 93.7 | Very high | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.1 | -40.6 | 179.9 | -169.4 | 60.4 | 0 | 0 | 0 | 112.1 | Y35 T37 T41 F80 R81 Y82 Y86 L87 R88 | Y35-L84 HydrophobicContact CD1-CD2 3.92Å; Y35-L84 HydrophobicContact CG-CD2 4.43Å; T37-L84 HydrophobicContact CG2-CD1 4.2Å; T41-L84 HydrophobicContact CG2-CD1 4.21Å; F80-L84 HydrophobicContact CD1-CB 4.47Å; F80-L84 HydrophobicContact CE1-CB 4.24Å; F80-L84 HydrophobicContact CE1-CD1 4.45Å; F80-L84 HydrophobicContact CE1-CD2 4.38Å; F80-L84 WeakPolarHBondContact O-CB 3.45Å; F80-L84 PolarHBondContact O-N 3.22Å; R81-L84 WeakPolarHBondContact O-CB 3.41Å; R81-L84 PolarHBondContact O-N 2.89Å; Y82-L84 VanDerWaalsContact C-N 3.33Å; L84-Y86 VanDerWaalsContact C-N 3.33Å; L84-Y86 PolarHBondContact O-N 3.31Å; L84-L87 PolarHBondContact O-N 3.42Å; L84-L87 VanDerWaalsContact O-N 3.16Å; L84-R88 WeakPolarHBondContact O-CG 3.37Å; L84-R88 PolarHBondContact O-N 3.11Å; L84-R88 VanDerWaalsContact O-N 3.13Å |
| 85 | D | 95.6 | Very high | 93.1 | Very high | 46 Ų | 46 | 58.1 Ų | 58.1 | 25% | 0.246 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.3 | -44 | 173.8 | -65.4 | -20.4 | 0 | 0 | 0 | 110.7 | R81 L87 R88 D89 | R81-D85 PolarHBondContact O-N 3.19Å; D85-L87 VanDerWaalsContact C-N 3.33Å; D85-L87 PolarHBondContact O-N 3.37Å; D85-R88 PolarHBondContact O-N 2.95Å; D85-R88 VanDerWaalsContact O-N 3.15Å; D85-R88 IonicContact OD1-NH1 3.65Å; D85-D89 PolarHBondContact O-N 3.15Å |
| 86 | Y | 96.1 | Very high | 92 | Very high | 15 Ų | 15 | 60.1 Ų | 60.1 | 6% | 0.059 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60 | -39.8 | 173.2 | 176.4 | -96.4 | 0 | 0 | 0 | 113 | Y82 V83 L84 R88 K90 Q91 L113 D115 L116 L119 | Y82-Y86 WeakPolarHBondContact O-CB 3.48Å; Y82-Y86 PolarHBondContact O-N 3.38Å; V83-Y86 PolarHBondContact O-N 3.13Å; L84-Y86 VanDerWaalsContact C-N 3.33Å; L84-Y86 PolarHBondContact O-N 3.31Å; Y86-R88 VanDerWaalsContact C-N 3.26Å; Y86-R88 PolarHBondContact O-N 3.08Å; Y86-K90 WeakPolarHBondContact CE2-O 3.47Å; Y86-K90 WeakPolarHBondContact O-CA 3.33Å; Y86-K90 PolarHBondContact O-N 2.83Å; Y86-Q91 WeakPolarHBondContact CA-O 3.18Å; Y86-L113 HydrophobicContact CD1-CD1 4.06Å; Y86-L113 HydrophobicContact CD1-CD2 4.38Å; Y86-L113 HydrophobicContact CE1-CB 4.39Å; Y86-L113 HydrophobicContact CE1-CD1 4.46Å; Y86-L113 HydrophobicContact CE1-CD2 4.08Å; Y86-D115 WeakPolarHBondContact OH-CB 3.42Å; Y86-L116 HydrophobicContact CD1-CB 4.01Å; Y86-L116 HydrophobicContact CD1-CD2 4.05Å; Y86-L116 HydrophobicContact CD1-CG 4.48Å; Y86-L116 HydrophobicContact CD2-CB 4.08Å; Y86-L116 HydrophobicContact CD2-CD1 3.83Å; Y86-L116 HydrophobicContact CD2-CG 4.36Å; Y86-L116 HydrophobicContact CE1-CB 3.98Å; Y86-L116 HydrophobicContact CE2-CB 4.04Å; Y86-L116 HydrophobicContact CE2-CD1 4.44Å; Y86-L116 HydrophobicContact CG-CB 4.07Å; Y86-L116 HydrophobicContact CG-CD1 3.98Å; Y86-L116 HydrophobicContact CG-CD2 3.92Å; Y86-L116 HydrophobicContact CG-CG 4.2Å; Y86-L119 HydrophobicContact CE2-CD1 4.15Å |
| 87 | L | 94.6 | Very high | 90.9 | Very high | 5 Ų | 5 | 63.3 Ų | 63.3 | 3% | 0.026 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.7 | -30.8 | 178.4 | -71.5 | 172.8 | 0 | 0 | 0 | 112.8 | T41 L50 V83 L84 D85 K90 L113 | T41-L87 HydrophobicContact CG2-CB 3.83Å; L50-L87 HydrophobicContact CD1-CD1 3.71Å; V83-L87 HydrophobicContact CG1-CD1 4.43Å; V83-L87 WeakPolarHBondContact O-CG 3.47Å; V83-L87 PolarHBondContact O-N 2.88Å; L84-L87 PolarHBondContact O-N 3.42Å; L84-L87 VanDerWaalsContact O-N 3.16Å; D85-L87 VanDerWaalsContact C-N 3.33Å; D85-L87 PolarHBondContact O-N 3.37Å; L87-K90 PolarHBondContact O-NZ 3.08Å; L87-L113 HydrophobicContact CD2-CD1 4.5Å; L87-L113 HydrophobicContact CD2-CD2 3.92Å |
| 88 | R | 94.9 | Very high | 90.5 | Very high | 116 Ų | 116 | 64.4 Ų | 64.4 | 44% | 0.438 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -76.3 | -54.9 | 177.7 | -68.2 | 168.7 | 178.1 | 166.3 | -4 | 111.9 | Y36 T41 L84 D85 Y86 | Y36-R88 PolarHBondContact O-NH2 3.33Å; T41-R88 HydrophobicContact CG2-CG 3.61Å; L84-R88 WeakPolarHBondContact O-CG 3.37Å; L84-R88 PolarHBondContact O-N 3.11Å; L84-R88 VanDerWaalsContact O-N 3.13Å; D85-R88 PolarHBondContact O-N 2.95Å; D85-R88 VanDerWaalsContact O-N 3.15Å; D85-R88 IonicContact OD1-NH1 3.65Å; Y86-R88 VanDerWaalsContact C-N 3.26Å; Y86-R88 PolarHBondContact O-N 3.08Å |
| 89 | D | 92.1 | Very high | 89.6 | Confident | 114 Ų | 114 | 62.6 Ų | 62.6 | 61% | 0.61 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -104.2 | -7.1 | -165.8 | -58 | -33.4 | 0 | 0 | 0 | 113.3 | D85 Q91 | D85-D89 PolarHBondContact O-N 3.15Å; D89-Q91 PolarHBondContact O-N 3.4Å; D89-Q91 VanDerWaalsContact O-N 3.09Å |
| 90 | K | 89.6 | Confident | 89.3 | Confident | 92 Ų | 92 | 65.5 Ų | 65.5 | 40% | 0.4 | 33% | 0.33 | S | S | . | . | S | Bend | trans | 56.3 | 17.2 | -169.5 | -50.7 | -53.2 | -172.9 | -165.7 | 0 | 113.5 | G44 T45 Y86 L87 | G44-K90 PolarHBondContact O-NZ 3.22Å; G44-K90 VanDerWaalsContact O-NZ 3.08Å; T45-K90 PolarHBondContact OG1-NZ 2.96Å; Y86-K90 WeakPolarHBondContact CE2-O 3.47Å; Y86-K90 WeakPolarHBondContact O-CA 3.33Å; Y86-K90 PolarHBondContact O-N 2.83Å; L87-K90 PolarHBondContact O-NZ 3.08Å |
| 91 | Q | 85.7 | Confident | 88.9 | Confident | 144 Ų | 144 | 69.2 Ų | 69.2 | 67% | 0.673 | 35% | 0.346 | S | S | * | . | trans | -138.7 | 157.6 | 175.9 | -67.3 | -168.9 | 64.5 | 0 | 0 | 109 | Y86 D89 | Y86-Q91 WeakPolarHBondContact CA-O 3.18Å; D89-Q91 PolarHBondContact O-N 3.4Å; D89-Q91 VanDerWaalsContact O-N 3.09Å | ||
| 92 | V | 88.1 | Confident | 88.7 | Confident | 30 Ų | 30 | 65.6 Ų | 65.6 | 18% | 0.182 | 35% | 0.346 | C | S | . | . | trans | -130.8 | 123.4 | 176.6 | 66.5 | 0 | 0 | 0 | 0 | 109.3 | Y82 L94 L116 | Y82-V92 HydrophobicContact CD1-CG2 4.26Å; V92-L94 HydrophobicContact CG2-CD2 3.69Å; V92-L94 HydrophobicContact CG2-CG 4.21Å; V92-L116 HydrophobicContact CB-CD1 4.17Å; V92-L116 HydrophobicContact CG1-CD1 3.66Å | ||
| 93 | V | 86.6 | Confident | 88.6 | Confident | 133 Ų | 133 | 70.6 Ų | 70.6 | 81% | 0.806 | 37% | 0.365 | S | S | * | . | trans | -97.6 | 113.1 | 172.6 | -178 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 94 | L | 87.4 | Confident | 88.6 | Confident | 41 Ų | 41 | 70.6 Ų | 70.6 | 22% | 0.215 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -99.3 | 141.7 | 177.5 | -60.1 | 178.5 | 0 | 0 | 0 | 109.7 | Y82 V92 F98 K101 L104 L120 | Y82-L94 HydrophobicContact CD1-CD2 3.64Å; Y82-L94 HydrophobicContact CE1-CD2 3.97Å; Y82-L94 HydrophobicContact CG-CD2 4.02Å; V92-L94 HydrophobicContact CG2-CD2 3.69Å; V92-L94 HydrophobicContact CG2-CG 4.21Å; L94-F98 HydrophobicContact CB-CB 4.19Å; L94-F98 HydrophobicContact CB-CG 4.43Å; L94-F98 HydrophobicContact CD1-CD1 4.03Å; L94-F98 HydrophobicContact CD2-CD1 4.13Å; L94-F98 HydrophobicContact CD2-CE1 4.26Å; L94-F98 HydrophobicContact CD2-CG 4.49Å; L94-K101 HydrophobicContact CD1-CG 4.41Å; L94-L104 HydrophobicContact CD1-CD2 4.37Å; L94-L104 HydrophobicContact CD2-CD2 3.61Å; L94-L120 HydrophobicContact CD1-CD2 3.72Å |
| 95 | P | 82 | Confident | 88.5 | Confident | 69 Ų | 69 | 74.7 Ų | 74.7 | 45% | 0.448 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -53.7 | 150.4 | 168.7 | -24.5 | 33.8 | 0 | 0 | 0 | 111.8 | H97 F98 | P95-H97 PolarHBondContact O-N 3.46Å; P95-F98 WeakPolarHBondContact O-CB 3.49Å; P95-F98 PolarHBondContact O-N 2.89Å |
| 96 | D | 73.4 | Confident | 88.5 | Confident | 116 Ų | 116 | 78.6 Ų | 78.6 | 62% | 0.62 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 135.4 | 170.9 | -69.6 | -40.3 | 0 | 0 | 0 | 110 | F98 R280 | D96-F98 PolarHBondContact O-N 3.17Å; D96-R280 IonicContact OD1-NH1 2.63Å |
| 97 | H | 73.2 | Confident | 88.6 | Confident | 100 Ų | 100 | 78.6 Ų | 78.6 | 46% | 0.463 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 39.7 | -174.7 | -52.6 | -50.9 | 0 | 0 | 0 | 115.4 | P95 P99 P278 | P95-H97 PolarHBondContact O-N 3.46Å; H97-P99 WeakPolarHBondContact O-CD 3.31Å; H97-P278 WeakPolarHBondContact CE1-CD 3.33Å |
| 98 | F | 86.5 | Confident | 88.6 | Confident | 29 Ų | 29 | 78.4 Ų | 78.4 | 13% | 0.127 | 40% | 0.395 | C | S | . | . | trans | -55.4 | 101.7 | 173.5 | -173 | -117.8 | 0 | 0 | 0 | 112.2 | L79 Y82 L94 P95 D96 E100 K101 L104 | L79-F98 HydrophobicContact CD2-CE1 4.48Å; L79-F98 HydrophobicContact CD2-CZ 3.74Å; Y82-F98 HydrophobicContact CD2-CE2 4.42Å; Y82-F98 AromaticContact CD2-CZ 3.95Å; Y82-F98 HydrophobicContact CD2-CZ 3.95Å; Y82-F98 AromaticContact CE2-CE2 3.53Å; Y82-F98 HydrophobicContact CE2-CE2 3.53Å; Y82-F98 AromaticContact CE2-CZ 3.48Å; Y82-F98 HydrophobicContact CE2-CZ 3.48Å; Y82-F98 VanDerWaalsContact CE2-CZ 3.48Å; Y82-F98 AromaticContact CZ-CE2 3.68Å; L94-F98 HydrophobicContact CB-CB 4.19Å; L94-F98 HydrophobicContact CB-CG 4.43Å; L94-F98 HydrophobicContact CD1-CD1 4.03Å; L94-F98 HydrophobicContact CD2-CD1 4.13Å; L94-F98 HydrophobicContact CD2-CE1 4.26Å; L94-F98 HydrophobicContact CD2-CG 4.49Å; P95-F98 WeakPolarHBondContact O-CB 3.49Å; P95-F98 PolarHBondContact O-N 2.89Å; D96-F98 PolarHBondContact O-N 3.17Å; F98-E100 VanDerWaalsContact CE1-C 3.43Å; F98-E100 HydrophobicContact CE1-CB 4.04Å; F98-E100 HydrophobicContact CE2-CB 4.23Å; F98-E100 HydrophobicContact CZ-CB 3.78Å; F98-E100 PolarHBondContact O-N 3.13Å; F98-K101 HydrophobicContact CD1-CB 3.91Å; F98-K101 VanDerWaalsContact CD1-N 3.32Å; F98-K101 PolarHBondContact O-N 3.16Å; F98-L104 HydrophobicContact CE1-CB 3.82Å; F98-L104 HydrophobicContact CE1-CD2 3.71Å; F98-L104 HydrophobicContact CE1-CG 4.41Å; F98-L104 HydrophobicContact CZ-CB 4.45Å; F98-L104 HydrophobicContact CZ-CD2 4.32Å | ||
| 99 | P | 77.5 | Confident | 88.7 | Confident | 120 Ų | 120 | 77.2 Ų | 77.2 | 78% | 0.779 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -20.8 | -168.9 | 29.9 | -32 | 0 | 0 | 0 | 111.5 | H97 K101 | H97-P99 WeakPolarHBondContact O-CD 3.31Å; P99-K101 VanDerWaalsContact C-N 3.33Å; P99-K101 PolarHBondContact O-N 3.02Å |
| 100 | E | 88.8 | Confident | 88.9 | Confident | 60 Ų | 60 | 76.3 Ų | 76.3 | 28% | 0.28 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 14.4 | -178 | -52 | -161.7 | 132.4 | 0 | 0 | 112.9 | L79 F98 G102 R103 L104 | L79-E100 HydrophobicContact CD2-CB 3.96Å; L79-E100 WeakPolarHBondContact CD2-OE2 3.26Å; F98-E100 VanDerWaalsContact CE1-C 3.43Å; F98-E100 HydrophobicContact CE1-CB 4.04Å; F98-E100 HydrophobicContact CE2-CB 4.23Å; F98-E100 HydrophobicContact CZ-CB 3.78Å; F98-E100 PolarHBondContact O-N 3.13Å; E100-G102 PolarHBondContact O-N 3.46Å; E100-G102 VanDerWaalsContact O-N 3.17Å; E100-R103 HydrophobicContact CB-CB 4.35Å; E100-R103 WeakPolarHBondContact O-CA 3.13Å; E100-R103 WeakPolarHBondContact O-CB 3.33Å; E100-R103 PolarHBondContact O-N 3.32Å; E100-R103 IonicContact OE1-CZ 3.24Å; E100-R103 IonicContact OE1-NH1 3.88Å; E100-R103 PolarHBondContact OE1-NH1 2.87Å; E100-L104 PolarHBondContact O-N 3.14Å |
| 101 | K | 90.2 | Very high | 89.2 | Confident | 80 Ų | 80 | 72 Ų | 72 | 35% | 0.348 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -52.5 | -41.9 | -179.5 | -164.9 | -176.1 | -174.7 | -165.1 | 0 | 112.4 | L94 F98 P99 L104 R105 L120 | L94-K101 HydrophobicContact CD1-CG 4.41Å; F98-K101 HydrophobicContact CD1-CB 3.91Å; F98-K101 VanDerWaalsContact CD1-N 3.32Å; F98-K101 PolarHBondContact O-N 3.16Å; P99-K101 VanDerWaalsContact C-N 3.33Å; P99-K101 PolarHBondContact O-N 3.02Å; K101-L104 PolarHBondContact O-N 2.67Å; K101-R105 PolarHBondContact O-N 3.03Å; K101-L120 WeakPolarHBondContact CE-O 3.43Å; K101-L120 HydrophobicContact CG-CD2 4.04Å; K101-L120 PolarHBondContact NZ-O 3.16Å |
| 102 | G | 90.8 | Very high | 89.7 | Confident | 45 Ų | 45 | 69 Ų | 69 | 46% | 0.464 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -66.7 | -33.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | E100 K106 | E100-G102 PolarHBondContact O-N 3.46Å; E100-G102 VanDerWaalsContact O-N 3.17Å; G102-K106 PolarHBondContact O-N 3Å |
| 103 | R | 94.7 | Very high | 90 | Very high | 125 Ų | 125 | 67.8 Ų | 67.8 | 47% | 0.472 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -72.1 | -44.1 | 174.1 | -64.6 | 177.4 | 62.8 | 179.2 | 6.4 | 110.7 | D76 L79 E100 R105 K106 E107 | D76-R103 IonicContact OD2-CZ 3.1Å; D76-R103 IonicContact OD2-NH2 3.71Å; D76-R103 PolarHBondContact OD2-NH2 3.39Å; L79-R103 HydrophobicContact CD1-CB 3.5Å; L79-R103 VanDerWaalsContact CD1-CB 3.5Å; E100-R103 HydrophobicContact CB-CB 4.35Å; E100-R103 WeakPolarHBondContact O-CA 3.13Å; E100-R103 WeakPolarHBondContact O-CB 3.33Å; E100-R103 PolarHBondContact O-N 3.32Å; E100-R103 IonicContact OE1-CZ 3.24Å; E100-R103 IonicContact OE1-NH1 3.88Å; E100-R103 PolarHBondContact OE1-NH1 2.87Å; R103-R105 PolarHBondContact O-N 2.9Å; R103-K106 WeakPolarHBondContact O-CB 3.42Å; R103-K106 PolarHBondContact O-N 3.4Å; R103-E107 PolarHBondContact O-N 2.54Å; R103-E107 VanDerWaalsContact O-N 3.08Å |
| 104 | L | 96.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.3 | -37.3 | 175.8 | -179.9 | 59.7 | 0 | 0 | 0 | 111.8 | L79 Y82 V83 L94 F98 E100 K101 K106 E107 A108 L120 | L79-L104 HydrophobicContact CB-CD1 4.36Å; L79-L104 HydrophobicContact CD2-CB 4.29Å; Y82-L104 HydrophobicContact CD2-CD1 4.3Å; Y82-L104 HydrophobicContact CD2-CD2 4.17Å; Y82-L104 HydrophobicContact CG-CD1 4.45Å; Y82-L104 HydrophobicContact CG-CD2 4.04Å; V83-L104 HydrophobicContact CG2-CD1 4.15Å; L94-L104 HydrophobicContact CD1-CD2 4.37Å; L94-L104 HydrophobicContact CD2-CD2 3.61Å; F98-L104 HydrophobicContact CE1-CB 3.82Å; F98-L104 HydrophobicContact CE1-CD2 3.71Å; F98-L104 HydrophobicContact CE1-CG 4.41Å; F98-L104 HydrophobicContact CZ-CB 4.45Å; F98-L104 HydrophobicContact CZ-CD2 4.32Å; E100-L104 PolarHBondContact O-N 3.14Å; K101-L104 PolarHBondContact O-N 2.67Å; L104-K106 VanDerWaalsContact C-N 3.33Å; L104-K106 PolarHBondContact O-N 3.41Å; L104-E107 WeakPolarHBondContact O-CB 3.46Å; L104-E107 PolarHBondContact O-N 3.19Å; L104-A108 PolarHBondContact O-N 3.5Å; L104-L120 HydrophobicContact CB-CD1 4.48Å; L104-L120 HydrophobicContact CD2-CD1 4.21Å; L104-L120 HydrophobicContact CD2-CD2 4.07Å; L104-L120 HydrophobicContact CG-CD1 3.85Å |
| 105 | R | 95 | Very high | 90.5 | Very high | 89 Ų | 89 | 66.9 Ų | 66.9 | 34% | 0.336 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.4 | -43.3 | 173.3 | -164.8 | -170.5 | 74.8 | -173.5 | -6.6 | 111.9 | K101 R103 E107 A108 E109 V117 L120 | K101-R105 PolarHBondContact O-N 3.03Å; R103-R105 PolarHBondContact O-N 2.9Å; R105-E107 VanDerWaalsContact C-N 3.31Å; R105-E107 PolarHBondContact O-N 2.58Å; R105-A108 WeakPolarHBondContact O-CB 3.3Å; R105-A108 PolarHBondContact O-N 3.12Å; R105-E109 IonicContact CZ-OE1 2.85Å; R105-E109 IonicContact NE-OE1 2.75Å; R105-E109 PolarHBondContact NE-OE1 3.1Å; R105-E109 IonicContact NH2-OE1 3.21Å; R105-E109 WeakPolarHBondContact O-CG 3.48Å; R105-E109 PolarHBondContact O-N 3.21Å; R105-V117 HydrophobicContact CG-CG1 4.12Å; R105-L120 HydrophobicContact CB-CB 4.21Å; R105-L120 HydrophobicContact CB-CD1 4.31Å; R105-L120 HydrophobicContact CG-CB 4.12Å |
| 106 | K | 96.1 | Very high | 91 | Very high | 128 Ų | 128 | 63.7 Ų | 63.7 | 56% | 0.557 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -63.5 | -35.5 | 175.5 | -66.9 | -179.2 | 178.7 | -177.1 | 0 | 112.4 | G102 R103 L104 E109 Y110 | G102-K106 PolarHBondContact O-N 3Å; R103-K106 WeakPolarHBondContact O-CB 3.42Å; R103-K106 PolarHBondContact O-N 3.4Å; L104-K106 VanDerWaalsContact C-N 3.33Å; L104-K106 PolarHBondContact O-N 3.41Å; K106-E109 PolarHBondContact O-N 2.86Å; K106-Y110 WeakPolarHBondContact O-CB 3.38Å; K106-Y110 PolarHBondContact O-N 2.98Å |
| 107 | E | 96.9 | Very high | 92 | Very high | 15 Ų | 15 | 59.4 Ų | 59.4 | 7% | 0.07 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.7 | -44 | 171.8 | -61.4 | -50.1 | 132.4 | 0 | 0 | 111.3 | R75 L79 V83 R103 L104 R105 E109 Y110 F111 | R75-E107 IonicContact CZ-OE1 2.71Å; R75-E107 IonicContact CZ-OE2 2.98Å; R75-E107 IonicContact NE-OE1 3.5Å; R75-E107 IonicContact NE-OE2 3.84Å; R75-E107 PolarHBondContact NE-OE2 3.31Å; R75-E107 IonicContact NH2-OE1 2.89Å; R75-E107 PolarHBondContact NH2-OE1 3.44Å; R75-E107 IonicContact NH2-OE2 2.64Å; R75-E107 PolarHBondContact NH2-OE2 2.92Å; R75-E107 VanDerWaalsContact NH2-OE2 3.14Å; L79-E107 HydrophobicContact CB-CG 3.95Å; L79-E107 HydrophobicContact CD1-CG 4Å; V83-E107 HydrophobicContact CG2-CB 4.23Å; R103-E107 PolarHBondContact O-N 2.54Å; R103-E107 VanDerWaalsContact O-N 3.08Å; L104-E107 WeakPolarHBondContact O-CB 3.46Å; L104-E107 PolarHBondContact O-N 3.19Å; R105-E107 VanDerWaalsContact C-N 3.31Å; R105-E107 PolarHBondContact O-N 2.58Å; E107-E109 VanDerWaalsContact C-N 3.3Å; E107-E109 PolarHBondContact O-N 3.25Å; E107-Y110 WeakPolarHBondContact O-CB 3.13Å; E107-Y110 PolarHBondContact O-N 2.95Å; E107-Y110 VanDerWaalsContact O-N 3.15Å; E107-F111 HydrophobicContact CB-CD2 4.41Å; E107-F111 HydrophobicContact CB-CE2 4.41Å; E107-F111 WeakPolarHBondContact O-CD2 3.32Å; E107-F111 PolarHBondContact O-N 3.28Å |
| 108 | A | 96.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -60.9 | -38.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L104 R105 Q112 L113 L116 V117 L120 | L104-A108 PolarHBondContact O-N 3.5Å; R105-A108 WeakPolarHBondContact O-CB 3.3Å; R105-A108 PolarHBondContact O-N 3.12Å; A108-Q112 PolarHBondContact O-N 3.09Å; A108-L113 PolarHBondContact O-N 3.49Å; A108-L116 HydrophobicContact CB-CB 4.17Å; A108-L116 HydrophobicContact CB-CD2 3.65Å; A108-L116 HydrophobicContact CB-CG 3.72Å; A108-V117 HydrophobicContact CB-CG2 3.72Å; A108-L120 HydrophobicContact CB-CD1 4.14Å |
| 109 | E | 96.1 | Very high | 93 | Very high | 91 Ų | 91 | 63.6 Ų | 63.6 | 43% | 0.425 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.2 | -47.7 | 171.9 | -70.8 | 163.9 | -158.3 | 0 | 0 | 111 | R105 K106 E107 F111 Q112 V117 | R105-E109 IonicContact CZ-OE1 2.85Å; R105-E109 IonicContact NE-OE1 2.75Å; R105-E109 PolarHBondContact NE-OE1 3.1Å; R105-E109 IonicContact NH2-OE1 3.21Å; R105-E109 WeakPolarHBondContact O-CG 3.48Å; R105-E109 PolarHBondContact O-N 3.21Å; K106-E109 PolarHBondContact O-N 2.86Å; E107-E109 VanDerWaalsContact C-N 3.3Å; E107-E109 PolarHBondContact O-N 3.25Å; E109-F111 PolarHBondContact O-N 2.94Å; E109-Q112 PolarHBondContact O-N 3.37Å; E109-Q112 VanDerWaalsContact O-N 3.07Å; E109-V117 HydrophobicContact CB-CG2 4.49Å; E109-V117 HydrophobicContact CG-CG1 4.35Å; E109-V117 HydrophobicContact CG-CG2 3.74Å |
| 110 | Y | 96.2 | Very high | 93.5 | Very high | 95 Ų | 95 | 58.2 Ų | 58.2 | 37% | 0.373 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.3 | -47 | 178.1 | 174.5 | -92.8 | 0 | 0 | 0 | 112.4 | L49 R75 K106 E107 Q112 | L49-Y110 HydrophobicContact CD2-CD1 4.19Å; L49-Y110 HydrophobicContact CD2-CE1 3.65Å; R75-Y110 HydrophobicContact CG-CD1 3.73Å; R75-Y110 HydrophobicContact CG-CE1 3.37Å; R75-Y110 HydrophobicContact CG-CE2 4.45Å; R75-Y110 HydrophobicContact CG-CG 4.43Å; K106-Y110 WeakPolarHBondContact O-CB 3.38Å; K106-Y110 PolarHBondContact O-N 2.98Å; E107-Y110 WeakPolarHBondContact O-CB 3.13Å; E107-Y110 PolarHBondContact O-N 2.95Å; E107-Y110 VanDerWaalsContact O-N 3.15Å; Y110-Q112 PolarHBondContact O-N 3.04Å |
| 111 | F | 95.9 | Very high | 93.3 | Very high | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.009 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | 2.3 | 178.1 | -68.2 | -67.4 | 0 | 0 | 0 | 113.6 | S48 L49 L50 I73 R75 F80 V83 E107 E109 L113 | S48-F111 WeakPolarHBondContact CB-O 3.44Å; L49-F111 HydrophobicContact CD2-CD1 4.38Å; L49-F111 PolarHBondContact N-O 2.94Å; L50-F111 HydrophobicContact CD1-CD1 3.96Å; L50-F111 HydrophobicContact CD1-CE1 4.23Å; L50-F111 HydrophobicContact CD2-CD1 4.34Å; L50-F111 HydrophobicContact CD2-CE1 4.25Å; L50-F111 HydrophobicContact CG-CD1 3.87Å; L50-F111 HydrophobicContact CG-CE1 4.23Å; I73-F111 HydrophobicContact CD1-CE1 4.47Å; I73-F111 HydrophobicContact CG2-CE1 4.17Å; I73-F111 HydrophobicContact CG2-CZ 4.11Å; R75-F111 HydrophobicContact CB-CZ 4.26Å; R75-F111 HydrophobicContact CG-CZ 4.08Å; F80-F111 HydrophobicContact CD2-CE1 4.31Å; F80-F111 AromaticContact CD2-CE2 3.69Å; F80-F111 HydrophobicContact CD2-CE2 3.69Å; F80-F111 AromaticContact CD2-CZ 3.52Å; F80-F111 HydrophobicContact CD2-CZ 3.52Å; F80-F111 AromaticContact CE2-CE1 3.87Å; F80-F111 HydrophobicContact CE2-CE1 3.87Å; F80-F111 HydrophobicContact CE2-CE2 4Å; F80-F111 AromaticContact CE2-CZ 3.55Å; F80-F111 HydrophobicContact CE2-CZ 3.55Å; V83-F111 HydrophobicContact CB-CD2 4.46Å; V83-F111 HydrophobicContact CG1-CB 4.41Å; V83-F111 HydrophobicContact CG1-CD2 3.82Å; V83-F111 HydrophobicContact CG1-CE2 4.38Å; V83-F111 HydrophobicContact CG1-CG 4.15Å; V83-F111 HydrophobicContact CG2-CD2 4.02Å; V83-F111 HydrophobicContact CG2-CE2 4.34Å; E107-F111 HydrophobicContact CB-CD2 4.41Å; E107-F111 HydrophobicContact CB-CE2 4.41Å; E107-F111 WeakPolarHBondContact O-CD2 3.32Å; E107-F111 PolarHBondContact O-N 3.28Å; E109-F111 PolarHBondContact O-N 2.94Å; F111-L113 HydrophobicContact CB-CD1 3.99Å; F111-L113 HydrophobicContact CB-CG 4.14Å |
| 112 | Q | 95.6 | Very high | 92.1 | Very high | 82 Ų | 82 | 58.3 Ų | 58.3 | 38% | 0.383 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 50.5 | 178.8 | -55.6 | 175.3 | 15 | 0 | 0 | 112.4 | L49 A108 E109 Y110 P114 | L49-Q112 HydrophobicContact CB-CG 4.35Å; A108-Q112 PolarHBondContact O-N 3.09Å; E109-Q112 PolarHBondContact O-N 3.37Å; E109-Q112 VanDerWaalsContact O-N 3.07Å; Y110-Q112 PolarHBondContact O-N 3.04Å; Q112-P114 WeakPolarHBondContact O-CD 3.12Å |
| 113 | L | 95.3 | Very high | 90.5 | Very high | 3 Ų | 3 | 63 Ų | 63 | 2% | 0.016 | 30% | 0.303 | C | S | . | . | trans | -109.9 | 79.3 | 179.6 | -62.9 | 171.6 | 0 | 0 | 0 | 110.4 | T45 S48 V83 Y86 L87 A108 F111 D115 L116 V117 | T45-L113 HydrophobicContact CG2-CD2 4.15Å; S48-L113 VanDerWaalsContact CB-CD2 3.5Å; V83-L113 HydrophobicContact CG1-CD1 3.69Å; Y86-L113 HydrophobicContact CD1-CD1 4.06Å; Y86-L113 HydrophobicContact CD1-CD2 4.38Å; Y86-L113 HydrophobicContact CE1-CB 4.39Å; Y86-L113 HydrophobicContact CE1-CD1 4.46Å; Y86-L113 HydrophobicContact CE1-CD2 4.08Å; L87-L113 HydrophobicContact CD2-CD1 4.5Å; L87-L113 HydrophobicContact CD2-CD2 3.92Å; A108-L113 PolarHBondContact O-N 3.49Å; F111-L113 HydrophobicContact CB-CD1 3.99Å; F111-L113 HydrophobicContact CB-CG 4.14Å; L113-D115 VanDerWaalsContact C-N 3.33Å; L113-D115 PolarHBondContact O-N 2.87Å; L113-L116 HydrophobicContact CB-CB 3.88Å; L113-L116 HydrophobicContact CB-CD2 4.41Å; L113-L116 HydrophobicContact CD1-CD2 3.95Å; L113-L116 PolarHBondContact O-N 3.36Å; L113-V117 WeakPolarHBondContact O-CG2 3.29Å; L113-V117 PolarHBondContact O-N 3.46Å | ||
| 114 | P | 92.4 | Very high | 88.1 | Confident | 76 Ų | 76 | 63.7 Ų | 63.7 | 49% | 0.494 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.7 | -36.8 | -170.8 | 25 | -35 | 0 | 0 | 0 | 113.2 | Q112 V117 K118 | Q112-P114 WeakPolarHBondContact O-CD 3.12Å; P114-V117 WeakPolarHBondContact O-CB 3.47Å; P114-V117 PolarHBondContact O-N 3.47Å; P114-K118 WeakPolarHBondContact O-CG 3.31Å; P114-K118 PolarHBondContact O-N 2.87Å |
| 115 | D | 92 | Very high | 85.7 | Confident | 80 Ų | 80 | 70.4 Ų | 70.4 | 43% | 0.428 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -72.9 | -33.1 | -179.6 | -57.1 | -41.7 | 0 | 0 | 0 | 111.7 | Y86 L113 V117 K118 L119 | Y86-D115 WeakPolarHBondContact OH-CB 3.42Å; L113-D115 VanDerWaalsContact C-N 3.33Å; L113-D115 PolarHBondContact O-N 2.87Å; D115-V117 VanDerWaalsContact C-N 3.35Å; D115-K118 PolarHBondContact O-N 2.88Å; D115-K118 IonicContact OD1-NZ 2.79Å; D115-K118 PolarHBondContact OD1-NZ 2.91Å; D115-K118 VanDerWaalsContact OD1-NZ 3.1Å; D115-L119 WeakPolarHBondContact O-CG 3.15Å; D115-L119 PolarHBondContact O-N 3.41Å |
| 116 | L | 92.8 | Very high | 83 | Confident | 1 Ų | 1 | 75.8 Ų | 75.8 | 1% | 0.005 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.6 | -39.3 | 169.2 | -179.1 | 58.4 | 0 | 0 | 0 | 111.2 | Y86 V92 A108 L113 K118 L119 L120 | Y86-L116 HydrophobicContact CD1-CB 4.01Å; Y86-L116 HydrophobicContact CD1-CD2 4.05Å; Y86-L116 HydrophobicContact CD1-CG 4.48Å; Y86-L116 HydrophobicContact CD2-CB 4.08Å; Y86-L116 HydrophobicContact CD2-CD1 3.83Å; Y86-L116 HydrophobicContact CD2-CG 4.36Å; Y86-L116 HydrophobicContact CE1-CB 3.98Å; Y86-L116 HydrophobicContact CE2-CB 4.04Å; Y86-L116 HydrophobicContact CE2-CD1 4.44Å; Y86-L116 HydrophobicContact CG-CB 4.07Å; Y86-L116 HydrophobicContact CG-CD1 3.98Å; Y86-L116 HydrophobicContact CG-CD2 3.92Å; Y86-L116 HydrophobicContact CG-CG 4.2Å; V92-L116 HydrophobicContact CB-CD1 4.17Å; V92-L116 HydrophobicContact CG1-CD1 3.66Å; A108-L116 HydrophobicContact CB-CB 4.17Å; A108-L116 HydrophobicContact CB-CD2 3.65Å; A108-L116 HydrophobicContact CB-CG 3.72Å; L113-L116 HydrophobicContact CB-CB 3.88Å; L113-L116 HydrophobicContact CB-CD2 4.41Å; L113-L116 HydrophobicContact CD1-CD2 3.95Å; L113-L116 PolarHBondContact O-N 3.36Å; L116-K118 VanDerWaalsContact C-N 3.33Å; L116-K118 PolarHBondContact O-N 3.45Å; L116-L119 PolarHBondContact O-N 3.45Å; L116-L120 HydrophobicContact CD1-CD1 4Å; L116-L120 HydrophobicContact CD1-CG 4.19Å; L116-L120 HydrophobicContact CG-CD1 3.91Å; L116-L120 HydrophobicContact CG-CG 4.49Å; L116-L120 WeakPolarHBondContact O-CB 3.49Å; L116-L120 WeakPolarHBondContact O-CG 3.33Å; L116-L120 PolarHBondContact O-N 3.06Å |
| 117 | V | 93.8 | Very high | 80.1 | Confident | 27 Ų | 27 | 77.6 Ų | 77.6 | 16% | 0.164 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 174.1 | 175 | 0 | 0 | 0 | 0 | 110.9 | R105 A108 E109 L113 P114 D115 L120 T121 | R105-V117 HydrophobicContact CG-CG1 4.12Å; A108-V117 HydrophobicContact CB-CG2 3.72Å; E109-V117 HydrophobicContact CB-CG2 4.49Å; E109-V117 HydrophobicContact CG-CG1 4.35Å; E109-V117 HydrophobicContact CG-CG2 3.74Å; L113-V117 WeakPolarHBondContact O-CG2 3.29Å; L113-V117 PolarHBondContact O-N 3.46Å; P114-V117 WeakPolarHBondContact O-CB 3.47Å; P114-V117 PolarHBondContact O-N 3.47Å; D115-V117 VanDerWaalsContact C-N 3.35Å; V117-L120 CarbonylContact O-C 3.54Å; V117-L120 PolarHBondContact O-N 3.48Å; V117-L120 VanDerWaalsContact O-N 3.08Å; V117-T121 HydrophobicContact CG1-CG2 4.41Å; V117-T121 PolarHBondContact O-N 2.88Å; V117-T121 PolarHBondContact O-OG1 2.88Å |
| 118 | K | 91.2 | Very high | 76.9 | Confident | 116 Ų | 116 | 81.7 Ų | 81.7 | 50% | 0.504 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 175.8 | -69.7 | 173.1 | -168.3 | 160.4 | 0 | 112.5 | P114 D115 L116 L120 T121 | P114-K118 WeakPolarHBondContact O-CG 3.31Å; P114-K118 PolarHBondContact O-N 2.87Å; D115-K118 PolarHBondContact O-N 2.88Å; D115-K118 IonicContact OD1-NZ 2.79Å; D115-K118 PolarHBondContact OD1-NZ 2.91Å; D115-K118 VanDerWaalsContact OD1-NZ 3.1Å; L116-K118 VanDerWaalsContact C-N 3.33Å; L116-K118 PolarHBondContact O-N 3.45Å; K118-L120 PolarHBondContact O-N 3.12Å; K118-T121 VanDerWaalsContact CA-OG1 3.28Å; K118-T121 WeakPolarHBondContact CA-OG1 3.37Å; K118-T121 PolarHBondContact O-N 3.17Å; K118-T121 PolarHBondContact O-OG1 3.12Å |
| 119 | L | 88.7 | Confident | 74.4 | Confident | 101 Ų | 101 | 87.2 Ų | 87.2 | 53% | 0.529 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.9 | -29 | 175.1 | -69.3 | 172.3 | 0 | 0 | 0 | 112.5 | Y86 D115 L116 | Y86-L119 HydrophobicContact CE2-CD1 4.15Å; D115-L119 WeakPolarHBondContact O-CG 3.15Å; D115-L119 PolarHBondContact O-N 3.41Å; L116-L119 PolarHBondContact O-N 3.45Å |
| 120 | L | 89.2 | Confident | 71.7 | Confident | 6 Ų | 6 | 89.5 Ų | 89.5 | 3% | 0.031 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -90 | -20.4 | -179.5 | -64.9 | 172.6 | 0 | 0 | 0 | 113.2 | L94 K101 L104 R105 A108 L116 V117 K118 | L94-L120 HydrophobicContact CD1-CD2 3.72Å; K101-L120 WeakPolarHBondContact CE-O 3.43Å; K101-L120 HydrophobicContact CG-CD2 4.04Å; K101-L120 PolarHBondContact NZ-O 3.16Å; L104-L120 HydrophobicContact CB-CD1 4.48Å; L104-L120 HydrophobicContact CD2-CD1 4.21Å; L104-L120 HydrophobicContact CD2-CD2 4.07Å; L104-L120 HydrophobicContact CG-CD1 3.85Å; R105-L120 HydrophobicContact CB-CB 4.21Å; R105-L120 HydrophobicContact CB-CD1 4.31Å; R105-L120 HydrophobicContact CG-CB 4.12Å; A108-L120 HydrophobicContact CB-CD1 4.14Å; L116-L120 HydrophobicContact CD1-CD1 4Å; L116-L120 HydrophobicContact CD1-CG 4.19Å; L116-L120 HydrophobicContact CG-CD1 3.91Å; L116-L120 HydrophobicContact CG-CG 4.49Å; L116-L120 WeakPolarHBondContact O-CB 3.49Å; L116-L120 WeakPolarHBondContact O-CG 3.33Å; L116-L120 PolarHBondContact O-N 3.06Å; V117-L120 CarbonylContact O-C 3.54Å; V117-L120 PolarHBondContact O-N 3.48Å; V117-L120 VanDerWaalsContact O-N 3.08Å; K118-L120 PolarHBondContact O-N 3.12Å |
| 121 | T | 84.5 | Confident | 68.7 | Low | 42 Ų | 42 | 93 Ų | 93 | 26% | 0.258 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -72.6 | 138.6 | 172.2 | 39.9 | 0 | 0 | 0 | 0 | 111 | V117 K118 E123 | V117-T121 HydrophobicContact CG1-CG2 4.41Å; V117-T121 PolarHBondContact O-N 2.88Å; V117-T121 PolarHBondContact O-OG1 2.88Å; K118-T121 VanDerWaalsContact CA-OG1 3.28Å; K118-T121 WeakPolarHBondContact CA-OG1 3.37Å; K118-T121 PolarHBondContact O-N 3.17Å; K118-T121 PolarHBondContact O-OG1 3.12Å; T121-E123 PolarHBondContact O-N 3.44Å |
| 122 | P | 65.5 | Low | 65.8 | Low | 100 Ų | 100 | 100.6 Ų | 100.6 | 65% | 0.649 | 53% | 0.527 | S | S | * | . | trans | -66.3 | 115.2 | 163.7 | -3.5 | 19.2 | 0 | 0 | 0 | 107.4 | D124 | P122-D124 PolarHBondContact O-N 3.3Š| ||
| 123 | E | 56.7 | Low | 62.8 | Low | 143 Ų | 143 | 106.5 Ų | 106.5 | 67% | 0.668 | 55% | 0.552 | S | S | * | * | trans | -71.3 | 108.6 | 167.8 | -68.9 | -70.1 | 169.6 | 0 | 0 | 107.6 | T121 I125 | T121-E123 PolarHBondContact O-N 3.44Å; E123-I125 PolarHBondContact O-N 2.63Å | ||
| 124 | D | 44.8 | Very low | 60.3 | Low | 141 Ų | 141 | 113.5 Ų | 113.5 | 75% | 0.754 | 58% | 0.584 | S | S | * | * | trans | -64.4 | 111.9 | 164.1 | -70.6 | -44.6 | 0 | 0 | 0 | 107.1 | P122 K126 | P122-D124 PolarHBondContact O-N 3.3Å; D124-K126 PolarHBondContact O-N 2.79Å | ||
| 125 | I | 44.3 | Very low | 57.5 | Low | 141 Ų | 141 | 115.6 Ų | 115.6 | 72% | 0.723 | 60% | 0.6 | S | S | * | * | trans | -60.2 | 101.7 | 173.4 | -59.6 | 171.3 | 0 | 0 | 0 | 107.3 | E123 H127 | E123-I125 PolarHBondContact O-N 2.63Å; I125-H127 VanDerWaalsContact C-N 3.35Å; I125-H127 PolarHBondContact O-N 3.48Å | ||
| 126 | K | 40 | Very low | 55 | Low | 201 Ų | 201 | 119.2 Ų | 119.2 | 87% | 0.874 | 62% | 0.62 | S | S | * | * | trans | -65.8 | 94.4 | 168.4 | -67.5 | -179.2 | -178.8 | 178.2 | 0 | 108 | D124 S128 | D124-K126 PolarHBondContact O-N 2.79Å; K126-S128 PolarHBondContact O-N 3.14Å | ||
| 127 | H | 34.4 | Very low | 52.2 | Low | 166 Ų | 166 | 128.7 Ų | 128.7 | 77% | 0.769 | 66% | 0.664 | S | S | * | * | trans | -70.2 | 111.4 | 160.4 | -80.9 | -89.7 | 0 | 0 | 0 | 107.9 | I125 | I125-H127 VanDerWaalsContact C-N 3.35Å; I125-H127 PolarHBondContact O-N 3.48Å | ||
| 128 | S | 29.7 | Very low | 50 | Low | 101 Ų | 101 | 135.9 Ų | 135.9 | 71% | 0.706 | 70% | 0.695 | S | S | * | * | trans | -62.1 | 133.1 | 166.3 | -172.8 | 0 | 0 | 0 | 0 | 109.3 | K126 D130 | K126-S128 PolarHBondContact O-N 3.14Å; S128-D130 PolarHBondContact O-N 3.42Å | ||
| 129 | P | 43.4 | Very low | 47.4 | Very low | 117 Ų | 117 | 137.8 Ų | 137.8 | 76% | 0.76 | 71% | 0.711 | S | S | * | * | trans | -93.6 | 84.3 | 179.1 | 35.2 | -26.9 | 0 | 0 | 0 | 109.2 | ||||
| 130 | D | 39.4 | Very low | 44.7 | Very low | 138 Ų | 138 | 136 Ų | 136 | 74% | 0.738 | 72% | 0.717 | S | S | * | * | trans | -155.2 | 92.4 | 162.4 | -86.8 | -37.3 | 0 | 0 | 0 | 106.9 | S128 | S128-D130 PolarHBondContact O-N 3.42Š| ||
| 131 | D | 32.6 | Very low | 42.3 | Very low | 168 Ų | 168 | 141.8 Ų | 141.8 | 90% | 0.898 | 76% | 0.758 | S | S | * | * | -173.3 | 114.9 | 128.8 | -93.1 | -34.3 | 0 | 0 | 0 | 110 | |||||
| 132 | F | 36 | Very low | 40.1 | Very low | 163 Ų | 163 | 149 Ų | 149 | 72% | 0.715 | 79% | 0.789 | S | S | * | * | trans | -107 | 108.5 | -175.4 | -167.8 | -83.8 | 0 | 0 | 0 | 106 | H134 | F132-H134 AromaticContact CE1-CD2 3.72Å; F132-H134 AromaticContact CE1-NE2 3.39Å; F132-H134 WeakPolarHBondContact CE1-NE2 3.39Å; F132-H134 AromaticContact CZ-NE2 3.95Å | ||
| 133 | F | 31.8 | Very low | 38.5 | Very low | 206 Ų | 206 | 147.7 Ų | 147.7 | 90% | 0.904 | 79% | 0.793 | S | S | * | * | trans | -147.3 | 128.7 | 157.3 | -88.8 | -71.3 | 0 | 0 | 0 | 113.2 | ||||
| 134 | H | 43 | Very low | 37.5 | Very low | 150 Ų | 150 | 146.5 Ų | 146.5 | 69% | 0.694 | 80% | 0.801 | S | S | * | * | trans | -65.5 | 149.3 | 173.4 | -72.1 | -96.6 | 0 | 0 | 0 | 113.1 | F132 | F132-H134 AromaticContact CE1-CD2 3.72Å; F132-H134 AromaticContact CE1-NE2 3.39Å; F132-H134 WeakPolarHBondContact CE1-NE2 3.39Å; F132-H134 AromaticContact CZ-NE2 3.95Å | ||
| 135 | S | 33.3 | Very low | 37.3 | Very low | 119 Ų | 119 | 148.2 Ų | 148.2 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | -178.1 | 130.5 | 113.4 | 33 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 136 | D | 40.5 | Very low | 36.9 | Very low | 157 Ų | 157 | 149.5 Ų | 149.5 | 84% | 0.84 | 81% | 0.812 | S | S | * | * | trans | -61.7 | 148.8 | 162.3 | -82.4 | -42.5 | 0 | 0 | 0 | 111.2 | ||||
| 137 | H | 34 | Very low | 37 | Very low | 200 Ų | 200 | 151.7 Ų | 151.7 | 93% | 0.926 | 82% | 0.815 | S | S | * | * | trans | -157.7 | 133.7 | 139.4 | -113.1 | -74.3 | 0 | 0 | 0 | 111.2 | ||||
| 138 | E | 46.9 | Very low | 36.9 | Very low | 178 Ų | 178 | 152.5 Ų | 152.5 | 83% | 0.832 | 82% | 0.819 | S | S | * | * | trans | -75 | 157.6 | -173.9 | -87.5 | -102.5 | 111.4 | 0 | 0 | 116 | ||||
| 139 | D | 35.8 | Very low | 37.1 | Very low | 156 Ų | 156 | 153.1 Ų | 153.1 | 83% | 0.834 | 82% | 0.822 | S | S | * | * | trans | 78.6 | 135.8 | 137.5 | -157 | 28.8 | 0 | 0 | 0 | 123 | ||||
| 140 | G | 32.7 | Very low | 36.7 | Very low | 63 Ų | 63 | 153 Ų | 153 | 65% | 0.649 | 82% | 0.821 | S | S | * | * | trans | 103.3 | 94.3 | 147.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 141 | S | 38.6 | Very low | 36.4 | Very low | 127 Ų | 127 | 151.4 Ų | 151.4 | 89% | 0.888 | 82% | 0.819 | S | S | * | * | 153.9 | 134.1 | 117.1 | -164.8 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 142 | Q | 39.5 | Very low | 37.1 | Very low | 194 Ų | 194 | 148.3 Ų | 148.3 | 91% | 0.907 | 81% | 0.808 | S | S | * | * | trans | -81.4 | 151.8 | -177.9 | -63.1 | -173.1 | 4.9 | 0 | 0 | 113.2 | ||||
| 143 | G | 31.8 | Very low | 37.6 | Very low | 73 Ų | 73 | 145.1 Ų | 145.1 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | trans | 121.5 | 85.3 | 140.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 144 | S | 35.1 | Very low | 38.2 | Very low | 117 Ų | 117 | 143.2 Ų | 143.2 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | 173.2 | 121.2 | 131 | 54.5 | 0 | 0 | 0 | 0 | 110.3 | H146 | S144-H146 PolarHBondContact O-N 3.2Š| ||
| 145 | D | 41.4 | Very low | 38.3 | Very low | 178 Ų | 178 | 139.5 Ų | 139.5 | 95% | 0.952 | 79% | 0.792 | S | S | * | * | trans | -62.1 | 98.7 | 177.8 | -82.4 | -54.1 | 0 | 0 | 0 | 112.2 | ||||
| 146 | H | 35.8 | Very low | 39.1 | Very low | 167 Ų | 167 | 137.9 Ų | 137.9 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | -126.2 | 116.3 | 155.4 | -146.2 | 40.3 | 0 | 0 | 0 | 106.9 | S144 Q148 | S144-H146 PolarHBondContact O-N 3.2Å; H146-Q148 PolarHBondContact O-N 3.38Å | ||
| 147 | R | 42.1 | Very low | 39.7 | Very low | 247 Ų | 247 | 132.8 Ų | 132.8 | 93% | 0.932 | 76% | 0.759 | S | S | * | * | trans | -55.4 | 99.8 | 178.5 | -76.4 | -177.3 | -170 | 164.6 | 6.8 | 109.1 | C149 | R147-C149 PolarHBondContact O-N 3.2Š| ||
| 148 | Q | 30.6 | Very low | 40.7 | Very low | 183 Ų | 183 | 128.9 Ų | 128.9 | 86% | 0.855 | 74% | 0.744 | S | S | * | * | trans | -80.5 | 103.9 | 171.8 | -77.1 | 169.5 | -9.5 | 0 | 0 | 107.8 | H146 | H146-Q148 PolarHBondContact O-N 3.38Š| ||
| 149 | C | 34.7 | Very low | 41.7 | Very low | 114 Ų | 114 | 126 Ų | 126 | 77% | 0.77 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 140.3 | 155.2 | -63.5 | 0 | 0 | 0 | 0 | 108.4 | R147 | R147-C149 PolarHBondContact O-N 3.2Š|
| 150 | P | 35.6 | Very low | 43.8 | Very low | 114 Ų | 114 | 120.9 Ų | 120.9 | 74% | 0.74 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 148.8 | 175.7 | 25.2 | -31.4 | 0 | 0 | 0 | 110.5 | ||
| 151 | P | 33.4 | Very low | 46.6 | Very low | 105 Ų | 105 | 118.3 Ų | 118.3 | 68% | 0.682 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 147.9 | -172.7 | 24.6 | -32.8 | 0 | 0 | 0 | 111.8 | S153 | P151-S153 PolarHBondContact O-N 3Š|
| 152 | P | 45.9 | Very low | 49.3 | Very low | 104 Ų | 104 | 112.6 Ų | 112.6 | 68% | 0.675 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -73.3 | 3.6 | -167.4 | -15.5 | 29.9 | 0 | 0 | 0 | 116.5 | K160 | P152-K160 PolarHBondContact O-NZ 2.75Š|
| 153 | S | 47.1 | Very low | 52.1 | Low | 95 Ų | 95 | 108.3 Ų | 108.3 | 66% | 0.664 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -103 | 8.5 | -149.4 | 55 | 0 | 0 | 0 | 0 | 118.8 | P151 | P151-S153 PolarHBondContact O-N 3Š|
| 154 | L | 43.5 | Very low | 55.2 | Low | 167 Ų | 167 | 104.9 Ų | 104.9 | 87% | 0.874 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -132 | 18.3 | -179.6 | -70.7 | 173.5 | 0 | 0 | 0 | 116.2 | ||
| 155 | V | 46.3 | Very low | 58.3 | Low | 71 Ų | 71 | 100.7 Ų | 100.7 | 43% | 0.43 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -114.8 | 123.9 | 174.9 | -153.4 | 0 | 0 | 0 | 0 | 109.2 | A157 R159 | V155-A157 PolarHBondContact O-N 3.31Å; V155-R159 HydrophobicContact CG1-CB 3.73Å; V155-R159 HydrophobicContact CG1-CG 4.38Å |
| 156 | P | 50.6 | Low | 61 | Low | 85 Ų | 85 | 92.2 Ų | 92.2 | 55% | 0.552 | 50% | 0.497 | S | S | * | . | trans | -45 | 129.8 | 173.9 | -29.2 | 33 | 0 | 0 | 0 | 110.8 | D158 R159 | P156-D158 PolarHBondContact O-N 2.93Å; P156-R159 WeakPolarHBondContact O-CB 3.43Å; P156-R159 PolarHBondContact O-N 2.85Å | ||
| 157 | A | 52.8 | Low | 63.8 | Low | 51 Ų | 51 | 84.3 Ų | 84.3 | 42% | 0.421 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -52.7 | -27.4 | -172 | 0 | 0 | 0 | 0 | 0 | 113.6 | V155 R159 K160 | V155-A157 PolarHBondContact O-N 3.31Å; A157-R159 VanDerWaalsContact C-N 3.33Å; A157-R159 PolarHBondContact O-N 2.8Å; A157-K160 PolarHBondContact O-N 2.98Å |
| 158 | D | 54.6 | Low | 66.3 | Low | 118 Ų | 118 | 73.4 Ų | 73.4 | 63% | 0.631 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -67.3 | -28.7 | 177.5 | -164 | 36.9 | 0 | 0 | 0 | 113.6 | P156 K160 S161 | P156-D158 PolarHBondContact O-N 2.93Å; D158-K160 PolarHBondContact O-N 2.96Å; D158-S161 PolarHBondContact O-N 2.9Å; D158-S161 PolarHBondContact O-OG 2.84Å; D158-S161 VanDerWaalsContact O-OG 3.11Å |
| 159 | R | 67.3 | Low | 69 | Low | 116 Ų | 116 | 70.7 Ų | 70.7 | 44% | 0.438 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -74.6 | -23.5 | -179.7 | -74.6 | -174.9 | 155.1 | -139.1 | -5.2 | 113.8 | V155 P156 A157 R195 E218 | V155-R159 HydrophobicContact CG1-CB 3.73Å; V155-R159 HydrophobicContact CG1-CG 4.38Å; P156-R159 WeakPolarHBondContact O-CB 3.43Å; P156-R159 PolarHBondContact O-N 2.85Å; A157-R159 VanDerWaalsContact C-N 3.33Å; A157-R159 PolarHBondContact O-N 2.8Å; R159-R195 PolarHBondContact O-NH1 3.5Å; R159-E218 IonicContact CZ-OE1 3.7Å; R159-E218 IonicContact NH1-OE1 2.7Å; R159-E218 PolarHBondContact NH1-OE1 3.02Å; R159-E218 VanDerWaalsContact NH2-CD 3.35Å; R159-E218 IonicContact NH2-OE1 2.92Å; R159-E218 PolarHBondContact NH2-OE1 2.97Å |
| 160 | K | 80.5 | Confident | 71.1 | Confident | 49 Ų | 49 | 65.8 Ų | 65.8 | 21% | 0.213 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -84.1 | -18.3 | 177.4 | -67.7 | -178 | 177.6 | 179.9 | 0 | 112.4 | P152 A157 D158 R276 | P152-K160 PolarHBondContact O-NZ 2.75Å; A157-K160 PolarHBondContact O-N 2.98Å; D158-K160 PolarHBondContact O-N 2.96Å; K160-R276 PolarHBondContact O-NE 2.86Å; K160-R276 PolarHBondContact O-NH2 2.96Å |
| 161 | S | 91.4 | Very high | 72.6 | Confident | 10 Ų | 10 | 65.1 Ų | 65.1 | 7% | 0.07 | 37% | 0.368 | C | S | . | . | trans | -84.8 | 150.6 | 174.6 | 82.6 | 0 | 0 | 0 | 0 | 112.1 | D158 R195 R276 P278 | D158-S161 PolarHBondContact O-N 2.9Å; D158-S161 PolarHBondContact O-OG 2.84Å; D158-S161 VanDerWaalsContact O-OG 3.11Å; S161-R195 PolarHBondContact O-NH1 3.17Å; S161-R195 VanDerWaalsContact O-NH1 3.09Å; S161-R276 CarbonylContact C-O 3.59Å; S161-R276 WeakPolarHBondContact CA-O 3.26Å; S161-R276 WeakPolarHBondContact CB-O 3.32Å; S161-P278 VanDerWaalsContact CB-N 3.31Å | ||
| 162 | G | 95.1 | Very high | 73.9 | Confident | 7 Ų | 7 | 63.2 Ų | 63.2 | 7% | 0.072 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 153.7 | -174.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | F243 Y275 R276 | G162-F243 WeakPolarHBondContact O-CE1 3.22Å; G162-Y275 WeakPolarHBondContact O-CD2 3.48Å; G162-R276 PolarHBondContact N-O 3.04Å; G162-R276 PolarHBondContact O-N 3.47Å |
| 163 | F | 97.9 | Very high | 74.3 | Confident | 104 Ų | 104 | 64.1 Ų | 64.1 | 46% | 0.456 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 141.4 | -179.7 | -67.8 | -92 | 0 | 0 | 0 | 111.6 | V246 V273 F274 Y275 | F163-V246 HydrophobicContact CE1-CG2 4.24Å; F163-V273 HydrophobicContact CD1-CG1 3.77Å; F163-V273 HydrophobicContact CE1-CG1 4.32Å; F163-F274 CarbonylContact C-O 3.5Å; F163-F274 VanDerWaalsContact CA-O 3.24Å; F163-F274 WeakPolarHBondContact CA-O 3.37Å; F163-Y275 AromaticContact CD1-CD2 3.88Å; F163-Y275 HydrophobicContact CD1-CD2 3.88Å; F163-Y275 HydrophobicContact CD1-CG 4.29Å; F163-Y275 AromaticContact CD2-CD2 3.81Å; F163-Y275 HydrophobicContact CD2-CD2 3.81Å; F163-Y275 HydrophobicContact CD2-CE2 4.25Å; F163-Y275 AromaticContact CE1-CD2 3.61Å; F163-Y275 HydrophobicContact CE1-CD2 3.61Å; F163-Y275 AromaticContact CE1-CG 3.88Å; F163-Y275 HydrophobicContact CE1-CG 3.88Å; F163-Y275 AromaticContact CE2-CD2 3.52Å; F163-Y275 HydrophobicContact CE2-CD2 3.52Å; F163-Y275 AromaticContact CE2-CE2 3.76Å; F163-Y275 HydrophobicContact CE2-CE2 3.76Å; F163-Y275 AromaticContact CG-CD2 3.98Å; F163-Y275 HydrophobicContact CG-CD2 3.98Å; F163-Y275 AromaticContact CZ-CD2 3.42Å; F163-Y275 HydrophobicContact CZ-CD2 3.42Å; F163-Y275 VanDerWaalsContact CZ-CD2 3.42Å; F163-Y275 AromaticContact CZ-CE2 3.94Å; F163-Y275 HydrophobicContact CZ-CE2 3.94Å; F163-Y275 AromaticContact CZ-CG 3.99Å; F163-Y275 HydrophobicContact CZ-CG 3.99Å |
| 164 | I | 98.3 | Very high | 74.6 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 134.9 | 163.4 | -68.2 | 177.3 | 0 | 0 | 0 | 107.2 | V166 I192 C193 L198 V202 F203 L238 F243 F274 | I164-V166 HydrophobicContact CG2-CG2 4.42Å; I164-I192 HydrophobicContact CG2-CG2 4.15Å; I164-C193 CarbonylContact C-O 3.59Å; I164-C193 WeakPolarHBondContact CA-O 3.19Å; I164-L198 HydrophobicContact CD1-CB 4.01Å; I164-L198 HydrophobicContact CG1-CB 4.28Å; I164-V202 HydrophobicContact CD1-CB 4.45Å; I164-V202 HydrophobicContact CD1-CG2 3.87Å; I164-F203 HydrophobicContact CG2-CE2 4.27Å; I164-L238 HydrophobicContact CB-CD2 4.09Å; I164-L238 HydrophobicContact CD1-CD2 3.74Å; I164-L238 HydrophobicContact CG1-CD2 4.49Å; I164-L238 HydrophobicContact CG2-CD2 4.01Å; I164-F243 HydrophobicContact CB-CE1 4.24Å; I164-F243 HydrophobicContact CD1-CE1 3.82Å; I164-F243 HydrophobicContact CD1-CE2 4.1Å; I164-F243 HydrophobicContact CD1-CZ 3.59Å; I164-F243 HydrophobicContact CG1-CE1 3.8Å; I164-F243 HydrophobicContact CG1-CZ 4.04Å; I164-F274 PolarHBondContact N-O 2.87Å; I164-F274 WeakPolarHBondContact O-CA 3.43Å; I164-F274 WeakPolarHBondContact O-CB 3.31Å; I164-F274 PolarHBondContact O-N 2.81Å |
| 165 | T | 98.6 | Very high | 74.7 | Confident | 30 Ų | 30 | 63.6 Ų | 63.6 | 18% | 0.184 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 126.1 | 173.5 | -54.4 | 0 | 0 | 0 | 0 | 109.4 | C193 E271 Y272 V273 | T165-C193 PolarHBondContact N-O 3.32Å; T165-C193 PolarHBondContact O-N 2.9Å; T165-E271 HydrophobicContact CG2-CB 3.99Å; T165-Y272 CarbonylContact C-O 3.52Å; T165-Y272 WeakPolarHBondContact CA-O 3.38Å; T165-V273 HydrophobicContact CG2-CG2 4.29Å |
| 166 | V | 98.1 | Very high | 74.6 | Confident | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 121.9 | 176.7 | -176.6 | 0 | 0 | 0 | 0 | 107.9 | I164 I190 L191 I192 L231 F235 L238 E271 Y272 F274 | I164-V166 HydrophobicContact CG2-CG2 4.42Å; V166-I190 HydrophobicContact CG1-CG2 3.36Å; V166-L191 WeakPolarHBondContact CA-O 3.45Å; V166-I192 HydrophobicContact CB-CD1 4.42Å; V166-I192 HydrophobicContact CG1-CD1 4.2Å; V166-I192 HydrophobicContact CG2-CD1 3.9Å; V166-L231 HydrophobicContact CG1-CD2 4.09Å; V166-F235 HydrophobicContact CB-CE1 4.39Å; V166-F235 HydrophobicContact CG1-CE1 4.22Å; V166-L238 HydrophobicContact CG2-CD1 3.48Å; V166-L238 VanDerWaalsContact CG2-CD1 3.48Å; V166-E271 CarbonylContact O-C 3.49Å; V166-E271 WeakPolarHBondContact O-CA 3.45Å; V166-Y272 PolarHBondContact N-O 3.16Å; V166-Y272 WeakPolarHBondContact O-CD2 3.32Å; V166-Y272 PolarHBondContact O-N 3.37Å; V166-F274 HydrophobicContact CB-CE2 4.48Å; V166-F274 HydrophobicContact CG2-CD2 4.14Å; V166-F274 HydrophobicContact CG2-CE2 4.09Å |
| 167 | G | 95.8 | Very high | 74.6 | Confident | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 157 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | I190 L191 T270 | G167-I190 CarbonylContact O-C 3.52Å; G167-I190 WeakPolarHBondContact O-CA 3.33Å; G167-L191 PolarHBondContact N-O 3.07Å; G167-L191 PolarHBondContact O-N 3.03Å; G167-T270 CarbonylContact C-O 3.56Å; G167-T270 VanDerWaalsContact CA-O 3.25Å; G167-T270 WeakPolarHBondContact CA-O 3.32Å |
| 168 | Y | 93.6 | Very high | 74.2 | Confident | 18 Ų | 18 | 78.4 Ų | 78.4 | 7% | 0.071 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 151.6 | 162.6 | 79.2 | -82.3 | 0 | 0 | 0 | 110.9 | R185 V187 R189 L231 T270 Y272 | Y168-R185 VanDerWaalsContact CE1-NH2 3.26Å; Y168-R185 VanDerWaalsContact CZ-NE 3.3Å; Y168-R185 PolarHBondContact OH-NE 3.21Å; Y168-R185 PolarHBondContact OH-NH2 3.08Å; Y168-V187 HydrophobicContact CD2-CB 4.48Å; Y168-V187 HydrophobicContact CD2-CG1 4.15Å; Y168-V187 HydrophobicContact CD2-CG2 4.27Å; Y168-V187 HydrophobicContact CE2-CG2 4.41Å; Y168-V187 HydrophobicContact CG-CG1 3.88Å; Y168-V187 HydrophobicContact CG-CG2 4.37Å; Y168-R189 WeakPolarHBondContact CB-O 3.36Å; Y168-L231 HydrophobicContact CD1-CD1 3.77Å; Y168-L231 HydrophobicContact CD1-CD2 4.29Å; Y168-L231 HydrophobicContact CE1-CD1 3.79Å; Y168-T270 HydrophobicContact CE1-CG2 4.21Å; Y168-T270 PolarHBondContact N-O 2.98Å; Y168-T270 PolarHBondContact O-N 3.02Å; Y168-Y272 HydrophobicContact CE1-CE2 4.42Å |
| 169 | R | 87.8 | Confident | 73.5 | Confident | 127 Ų | 127 | 80.5 Ų | 80.5 | 48% | 0.479 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 122.6 | 176.6 | -163.6 | 179.2 | -177.9 | 127.1 | -2.5 | 109.9 | P188 S267 S268 Y269 | R169-P188 WeakPolarHBondContact O-CD 3.45Å; R169-P188 WeakPolarHBondContact O-CG 3.33Å; R169-S267 PolarHBondContact NE-OG 3.21Å; R169-S267 PolarHBondContact NH2-OG 3.44Å; R169-S268 CarbonylContact C-O 3.57Å; R169-S268 VanDerWaalsContact CA-O 3.32Å; R169-S268 WeakPolarHBondContact CA-O 3.35Å; R169-S268 WeakPolarHBondContact CG-O 3.43Å; R169-Y269 HydrophobicContact CB-CD2 4.38Å |
| 170 | G | 80.1 | Confident | 72.4 | Confident | 11 Ų | 11 | 81.2 Ų | 81.2 | 11% | 0.113 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 140.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | S268 | G170-S268 WeakPolarHBondContact CA-OG 3.25Å; G170-S268 PolarHBondContact N-O 3.38Å; G170-S268 PolarHBondContact O-N 3.05Å; G170-S268 PolarHBondContact O-OG 2.8Å |
| 171 | S | 66.9 | Low | 70.3 | Confident | 100 Ų | 100 | 84.7 Ų | 84.7 | 70% | 0.699 | 46% | 0.461 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 119.7 | 170.2 | 54 | 0 | 0 | 0 | 0 | 109.4 | ||
| 172 | C | 60.3 | Low | 68.3 | Low | 65 Ų | 65 | 87.6 Ų | 87.6 | 44% | 0.439 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 90.1 | 170.5 | -62 | 0 | 0 | 0 | 0 | 107.7 | M174 W266 | C172-M174 PolarHBondContact O-N 3.17Å; C172-W266 HydrophobicContact CB-CB 4.12Å; C172-W266 PolarHBondContact N-O 2.9Å; C172-W266 VanDerWaalsContact N-O 3.11Å |
| 173 | T | 54.2 | Low | 66.2 | Low | 123 Ų | 123 | 96.9 Ų | 96.9 | 76% | 0.755 | 52% | 0.524 | S | S | * | . | trans | -81.3 | 108.4 | 168.4 | 52.7 | 0 | 0 | 0 | 0 | 107.6 | G175 | T173-G175 PolarHBondContact O-N 3.15Š| ||
| 174 | M | 52.6 | Low | 64.1 | Low | 190 Ų | 190 | 100.8 Ų | 100.8 | 94% | 0.936 | 54% | 0.54 | S | S | * | . | trans | -71 | 77 | 168.8 | -169.4 | 71.5 | 127.6 | 0 | 0 | 108.2 | C172 | C172-M174 PolarHBondContact O-N 3.17Š| ||
| 175 | G | 45.6 | Very low | 62.3 | Low | 61 Ų | 61 | 107 Ų | 107 | 63% | 0.629 | 56% | 0.564 | S | S | * | * | trans | -118.1 | 125.9 | 179 | 0 | 0 | 0 | 0 | 0 | 109.6 | T173 | T173-G175 PolarHBondContact O-N 3.15Š| ||
| 176 | R | 43.8 | Very low | 61 | Low | 250 Ų | 250 | 116.5 Ų | 116.5 | 94% | 0.943 | 60% | 0.596 | S | S | * | * | trans | -23.4 | 124.1 | -175.2 | -67.1 | 177.9 | -168 | -150.7 | 0.9 | 115.3 | S178 | R176-S178 PolarHBondContact O-N 2.9Å; R176-S178 VanDerWaalsContact O-N 3.11Å | ||
| 177 | E | 52 | Low | 59.6 | Low | 159 Ų | 159 | 117.1 Ų | 117.1 | 74% | 0.743 | 60% | 0.6 | S | S | * | * | trans | -36.3 | 106.6 | 164.4 | -170.2 | 172 | -147.8 | 0 | 0 | 113.2 | K389 | E177-K389 WeakPolarHBondContact OE2-CE 3.4Å; E177-K389 IonicContact OE2-NZ 3.39Å; E177-K389 PolarHBondContact OE2-NZ 2.83Å | ||
| 178 | S | 44.1 | Very low | 58.6 | Low | 109 Ų | 109 | 120.2 Ų | 120.2 | 76% | 0.762 | 62% | 0.62 | S | S | * | * | trans | -160.7 | 139.7 | 151.7 | -168.7 | 0 | 0 | 0 | 0 | 109.1 | R176 | R176-S178 PolarHBondContact O-N 2.9Å; R176-S178 VanDerWaalsContact O-N 3.11Å | ||
| 179 | Q | 39.2 | Very low | 58.5 | Low | 162 Ų | 162 | 123.7 Ų | 123.7 | 76% | 0.757 | 63% | 0.633 | S | S | * | * | trans | 78.7 | 99.8 | -174.8 | -68.3 | -178.2 | -1.1 | 0 | 0 | 117.4 | D181 | Q179-D181 VanDerWaalsContact C-N 3.28Å; Q179-D181 PolarHBondContact O-N 3.39Å | ||
| 180 | S | 44.3 | Very low | 58.9 | Low | 130 Ų | 130 | 117.6 Ų | 117.6 | 91% | 0.909 | 61% | 0.61 | S | S | * | * | trans | -55.1 | 90.5 | 144.7 | 51.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 181 | D | 37.6 | Very low | 59.8 | Low | 123 Ų | 123 | 118.8 Ų | 118.8 | 66% | 0.658 | 61% | 0.614 | S | S | * | * | trans | -128.6 | 135.3 | 164.8 | -147 | -7.1 | 0 | 0 | 0 | 108.2 | Q179 K183 | Q179-D181 VanDerWaalsContact C-N 3.28Å; Q179-D181 PolarHBondContact O-N 3.39Å; D181-K183 WeakPolarHBondContact O-CG 3.47Å; D181-K183 PolarHBondContact O-N 3.44Å | ||
| 182 | A | 47.7 | Very low | 61.2 | Low | 70 Ų | 70 | 114.1 Ų | 114.1 | 58% | 0.579 | 58% | 0.581 | S | S | * | * | trans | -50.4 | 106.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | F184 | A182-F184 HydrophobicContact CB-CD2 4.37Å; A182-F184 HydrophobicContact CB-CE2 4.02Å; A182-F184 VanDerWaalsContact O-CD2 3.3Å; A182-F184 WeakPolarHBondContact O-CD2 3.48Å; A182-F184 PolarHBondContact O-N 3.18Å | ||
| 183 | K | 51.3 | Low | 63 | Low | 203 Ų | 203 | 112.1 Ų | 112.1 | 88% | 0.883 | 57% | 0.568 | S | S | * | * | trans | -75.4 | 76.9 | -174 | -70 | -175.7 | -178.4 | 175 | 0 | 109.8 | D181 R185 | D181-K183 WeakPolarHBondContact O-CG 3.47Å; D181-K183 PolarHBondContact O-N 3.44Å; K183-R185 PolarHBondContact O-N 2.91Å | ||
| 184 | F | 54.2 | Low | 65.1 | Low | 185 Ų | 185 | 106.8 Ų | 106.8 | 81% | 0.811 | 54% | 0.537 | S | S | * | . | trans | -55 | 138.7 | 164 | -70.6 | -81 | 0 | 0 | 0 | 109.1 | A182 R186 | A182-F184 HydrophobicContact CB-CD2 4.37Å; A182-F184 HydrophobicContact CB-CE2 4.02Å; A182-F184 VanDerWaalsContact O-CD2 3.3Å; A182-F184 WeakPolarHBondContact O-CD2 3.48Å; A182-F184 PolarHBondContact O-N 3.18Å; F184-R186 PolarHBondContact O-N 3.45Å | ||
| 185 | R | 61.6 | Low | 67.2 | Low | 132 Ų | 132 | 99.7 Ų | 99.7 | 50% | 0.498 | 50% | 0.5 | S | S | . | . | trans | -63.7 | 96 | 178.5 | -167.3 | -178.8 | -166.2 | 155 | 9 | 109.2 | Y168 K183 V187 Y272 | Y168-R185 VanDerWaalsContact CE1-NH2 3.26Å; Y168-R185 VanDerWaalsContact CZ-NE 3.3Å; Y168-R185 PolarHBondContact OH-NE 3.21Å; Y168-R185 PolarHBondContact OH-NH2 3.08Å; K183-R185 PolarHBondContact O-N 2.91Å; R185-V187 HydrophobicContact CG-CG2 4.07Å; R185-V187 PolarHBondContact O-N 3.2Å; R185-Y272 PolarHBondContact NH1-OH 3.35Å; R185-Y272 PolarHBondContact NH2-OH 2.71Å | ||
| 186 | R | 69.4 | Low | 69.6 | Low | 228 Ų | 228 | 96.8 Ų | 96.8 | 86% | 0.86 | 47% | 0.47 | S | S | * | . | trans | -74.1 | 96.4 | 175.8 | -170.7 | 176.2 | -178.9 | -174.8 | 0.8 | 109.1 | F184 P188 | F184-R186 PolarHBondContact O-N 3.45Å; R186-P188 VanDerWaalsContact O-CD 3.25Å; R186-P188 WeakPolarHBondContact O-CD 3.31Å | ||
| 187 | V | 69.8 | Low | 72 | Confident | 13 Ų | 13 | 86.6 Ų | 86.6 | 8% | 0.079 | 44% | 0.439 | C | S | . | . | trans | -86.5 | 106.1 | 174.3 | 179.4 | 0 | 0 | 0 | 0 | 108.3 | Y168 R185 I190 K229 L231 | Y168-V187 HydrophobicContact CD2-CB 4.48Å; Y168-V187 HydrophobicContact CD2-CG1 4.15Å; Y168-V187 HydrophobicContact CD2-CG2 4.27Å; Y168-V187 HydrophobicContact CE2-CG2 4.41Å; Y168-V187 HydrophobicContact CG-CG1 3.88Å; Y168-V187 HydrophobicContact CG-CG2 4.37Å; R185-V187 HydrophobicContact CG-CG2 4.07Å; R185-V187 PolarHBondContact O-N 3.2Å; V187-I190 HydrophobicContact CG1-CD1 4.46Å; V187-I190 HydrophobicContact CG1-CG1 3.65Å; V187-K229 WeakPolarHBondContact CB-O 3.43Å; V187-L231 HydrophobicContact CG1-CG 4.24Å; V187-L231 HydrophobicContact CG2-CD1 3.65Å; V187-L231 HydrophobicContact CG2-CG 3.96Å | ||
| 188 | P | 75.5 | Confident | 74.2 | Confident | 65 Ų | 65 | 79 Ų | 79 | 42% | 0.422 | 40% | 0.403 | S | S | . | . | trans | -73.8 | -35.2 | -173 | 27.9 | -32.8 | 0 | 0 | 0 | 112.2 | R169 R186 K229 | R169-P188 WeakPolarHBondContact O-CD 3.45Å; R169-P188 WeakPolarHBondContact O-CG 3.33Å; R186-P188 VanDerWaalsContact O-CD 3.25Å; R186-P188 WeakPolarHBondContact O-CD 3.31Å; P188-K229 WeakPolarHBondContact O-CE 3.33Å | ||
| 189 | R | 91 | Very high | 76.7 | Confident | 91 Ų | 91 | 73.8 Ų | 73.8 | 34% | 0.343 | 37% | 0.367 | S | S | . | . | trans | -162.3 | 132.4 | -178.2 | -171.8 | 174.6 | -62.4 | -162 | 2.7 | 109.4 | Y168 R211 Y225 | Y168-R189 WeakPolarHBondContact CB-O 3.36Å; R189-R211 VanDerWaalsContact NH1-CZ 3.34Å; R189-Y225 HydrophobicContact CG-CD2 3.86Å; R189-Y225 HydrophobicContact CG-CG 4.05Å | ||
| 190 | I | 96.4 | Very high | 79.4 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 118.1 | 174.9 | -58.2 | 171 | 0 | 0 | 0 | 107.8 | V166 G167 V187 I192 Y225 L226 F228 H230 L231 | V166-I190 HydrophobicContact CG1-CG2 3.36Å; G167-I190 CarbonylContact O-C 3.52Å; G167-I190 WeakPolarHBondContact O-CA 3.33Å; V187-I190 HydrophobicContact CG1-CD1 4.46Å; V187-I190 HydrophobicContact CG1-CG1 3.65Å; I190-I192 HydrophobicContact CG2-CD1 4.17Å; I190-Y225 CarbonylContact O-C 3.51Å; I190-Y225 WeakPolarHBondContact O-CA 3.3Å; I190-Y225 WeakPolarHBondContact O-CB 3.44Å; I190-L226 HydrophobicContact CB-CB 4.26Å; I190-L226 HydrophobicContact CB-CD1 4.13Å; I190-L226 HydrophobicContact CB-CG 4.29Å; I190-L226 HydrophobicContact CD1-CD1 4.28Å; I190-L226 HydrophobicContact CG2-CD1 3.8Å; I190-L226 HydrophobicContact CG2-CG 4.21Å; I190-L226 PolarHBondContact O-N 3.3Å; I190-F228 HydrophobicContact CD1-CD2 4.35Å; I190-F228 HydrophobicContact CD1-CE2 4.31Å; I190-H230 WeakPolarHBondContact CD1-O 2.99Å; I190-L231 HydrophobicContact CD1-CD2 4Å; I190-L231 HydrophobicContact CD1-CG 4.31Å; I190-L231 HydrophobicContact CG1-CD2 3.91Å; I190-L231 HydrophobicContact CG1-CG 4.46Å; I190-L231 HydrophobicContact CG2-CD2 4.23Å |
| 191 | L | 97.5 | Very high | 81.8 | Confident | 36 Ų | 36 | 68 Ų | 68 | 19% | 0.188 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 143.3 | 175.1 | -62.6 | 95.3 | 0 | 0 | 0 | 109.9 | V166 G167 F224 Y269 | V166-L191 WeakPolarHBondContact CA-O 3.45Å; G167-L191 PolarHBondContact N-O 3.07Å; G167-L191 PolarHBondContact O-N 3.03Å; L191-F224 WeakPolarHBondContact CA-O 3.39Å; L191-Y269 HydrophobicContact CD1-CE2 4.25Å |
| 192 | I | 98.3 | Very high | 84.6 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 123.9 | 177.6 | -56.6 | -61 | 0 | 0 | 0 | 108.8 | I164 V166 I190 A199 F203 L207 F224 L226 | I164-I192 HydrophobicContact CG2-CG2 4.15Å; V166-I192 HydrophobicContact CB-CD1 4.42Å; V166-I192 HydrophobicContact CG1-CD1 4.2Å; V166-I192 HydrophobicContact CG2-CD1 3.9Å; I190-I192 HydrophobicContact CG2-CD1 4.17Å; I192-A199 HydrophobicContact CG2-CB 4.04Å; I192-F203 HydrophobicContact CD1-CD2 4.41Å; I192-F203 HydrophobicContact CD1-CE1 4.47Å; I192-F203 HydrophobicContact CD1-CE2 3.72Å; I192-F203 HydrophobicContact CD1-CZ 3.75Å; I192-F203 HydrophobicContact CG1-CD2 4.35Å; I192-F203 HydrophobicContact CG1-CE2 4.11Å; I192-F203 HydrophobicContact CG2-CD2 4.18Å; I192-F203 HydrophobicContact CG2-CE2 3.88Å; I192-L207 HydrophobicContact CB-CD1 4.22Å; I192-L207 HydrophobicContact CG1-CD1 4.11Å; I192-L207 HydrophobicContact CG2-CD1 4.42Å; I192-F224 HydrophobicContact CB-CB 4.22Å; I192-F224 PolarHBondContact N-O 3.3Å; I192-L226 HydrophobicContact CD1-CD1 4.04Å; I192-L226 HydrophobicContact CD1-CD2 4.21Å; I192-L226 HydrophobicContact CD1-CG 4Å; I192-L226 HydrophobicContact CG1-CD1 4.41Å; I192-L226 HydrophobicContact CG1-CD2 3.79Å; I192-L226 HydrophobicContact CG1-CG 3.82Å |
| 193 | C | 98.1 | Very high | 87 | Confident | 24 Ų | 24 | 59.5 Ų | 59.5 | 16% | 0.162 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 140.1 | 175.3 | -52.1 | 0 | 0 | 0 | 0 | 109.6 | I164 T165 T221 S222 | I164-C193 CarbonylContact C-O 3.59Å; I164-C193 WeakPolarHBondContact CA-O 3.19Å; T165-C193 PolarHBondContact N-O 3.32Å; T165-C193 PolarHBondContact O-N 2.9Å; C193-T221 CarbonylContact C-O 3.48Å; C193-T221 VanDerWaalsContact CA-O 3.25Å; C193-T221 WeakPolarHBondContact CA-O 3.46Å; C193-S222 VanDerWaalsContact SG-CA 3.57Å |
| 194 | G | 97.3 | Very high | 89.1 | Confident | 10 Ų | 10 | 51.8 Ų | 51.8 | 10% | 0.103 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 151.8 | -169.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | Y220 T221 | G194-Y220 CarbonylContact O-C 3.22Å; G194-Y220 VanDerWaalsContact O-CA 3.29Å; G194-Y220 WeakPolarHBondContact O-CA 3.49Å; G194-T221 PolarHBondContact N-O 3.5Å; G194-T221 PolarHBondContact O-N 2.82Å |
| 195 | R | 96.4 | Very high | 91.1 | Very high | 41 Ų | 41 | 51.2 Ų | 51.2 | 16% | 0.155 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 133.7 | 174.2 | -165.6 | -176.5 | -60.2 | 162.3 | -0.2 | 109.5 | R159 S161 A197 L198 A199 Y220 | R159-R195 PolarHBondContact O-NH1 3.5Å; S161-R195 PolarHBondContact O-NH1 3.17Å; S161-R195 VanDerWaalsContact O-NH1 3.09Å; R195-A197 VanDerWaalsContact C-N 3.35Å; R195-A197 PolarHBondContact O-N 2.92Å; R195-L198 HydrophobicContact CB-CB 4.44Å; R195-L198 HydrophobicContact CB-CD1 4.04Å; R195-L198 HydrophobicContact CB-CG 4.14Å; R195-L198 PolarHBondContact O-N 3.18Å; R195-A199 PolarHBondContact O-N 3.26Å; R195-Y220 HydrophobicContact CB-CD1 4.19Å; R195-Y220 HydrophobicContact CB-CE1 3.9Å; R195-Y220 PolarHBondContact NE-OH 2.72Å; R195-Y220 PolarHBondContact NH2-OH 2.98Å; R195-Y220 VanDerWaalsContact NH2-OH 3.11Å |
| 196 | V | 95.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.8 | -45.2 | -175.2 | 171.1 | 0 | 0 | 0 | 0 | 111.5 | L198 A199 K200 R215 R219 T221 F224 | V196-L198 VanDerWaalsContact C-N 3.33Å; V196-L198 PolarHBondContact O-N 3.08Å; V196-A199 PolarHBondContact O-N 3Å; V196-K200 HydrophobicContact CG1-CD 4.09Å; V196-K200 HydrophobicContact CG1-CG 4.35Å; V196-K200 WeakPolarHBondContact O-CG 3.03Å; V196-K200 PolarHBondContact O-N 3.33Å; V196-R215 HydrophobicContact CG2-CB 4.09Å; V196-R215 HydrophobicContact CG2-CG 4.05Å; V196-R219 VanDerWaalsContact CG2-O 3.26Å; V196-R219 WeakPolarHBondContact CG2-O 3.48Å; V196-R219 PolarHBondContact N-O 2.84Å; V196-T221 HydrophobicContact CG2-CG2 4.03Å; V196-F224 HydrophobicContact CG1-CE2 4.28Å; V196-F224 HydrophobicContact CG1-CZ 4.42Å; V196-F224 HydrophobicContact CG2-CE2 4.28Å; V196-F224 HydrophobicContact CG2-CZ 4.38Å |
| 197 | A | 95.4 | Very high | 94.1 | Very high | 36 Ų | 36 | 35.8 Ų | 35.8 | 30% | 0.298 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -55.1 | -46.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R195 K200 E201 P217 | R195-A197 VanDerWaalsContact C-N 3.35Å; R195-A197 PolarHBondContact O-N 2.92Å; A197-K200 PolarHBondContact O-N 2.79Å; A197-E201 WeakPolarHBondContact O-CB 3.14Å; A197-E201 PolarHBondContact O-N 3.33Å; A197-P217 HydrophobicContact CB-CB 3.94Å; A197-P217 VanDerWaalsContact CB-O 3.27Å; A197-P217 WeakPolarHBondContact CB-O 3.45Å; A197-P217 PolarHBondContact N-O 3.28Å |
| 198 | L | 96.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.8 | -41.4 | -179.3 | -62 | 177.9 | 0 | 0 | 0 | 111.8 | I164 R195 V196 K200 E201 V202 F243 | I164-L198 HydrophobicContact CD1-CB 4.01Å; I164-L198 HydrophobicContact CG1-CB 4.28Å; R195-L198 HydrophobicContact CB-CB 4.44Å; R195-L198 HydrophobicContact CB-CD1 4.04Å; R195-L198 HydrophobicContact CB-CG 4.14Å; R195-L198 PolarHBondContact O-N 3.18Å; V196-L198 VanDerWaalsContact C-N 3.33Å; V196-L198 PolarHBondContact O-N 3.08Å; L198-K200 VanDerWaalsContact C-N 3.33Å; L198-K200 PolarHBondContact O-N 3.28Å; L198-E201 PolarHBondContact O-N 3.03Å; L198-V202 WeakPolarHBondContact O-CG2 3.48Å; L198-V202 PolarHBondContact O-N 2.98Å; L198-F243 HydrophobicContact CB-CZ 4.41Å; L198-F243 HydrophobicContact CD1-CZ 4.38Å; L198-F243 HydrophobicContact CD2-CZ 4.47Å |
| 199 | A | 96.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.3 | -40.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I192 R195 V196 F203 L207 F224 | I192-A199 HydrophobicContact CG2-CB 4.04Å; R195-A199 PolarHBondContact O-N 3.26Å; V196-A199 PolarHBondContact O-N 3Å; A199-F203 WeakPolarHBondContact O-CB 3.17Å; A199-F203 WeakPolarHBondContact O-CD2 3.28Å; A199-F203 PolarHBondContact O-N 3.24Å; A199-L207 HydrophobicContact CB-CD2 4.06Å; A199-F224 HydrophobicContact CB-CD2 4.27Å |
| 200 | K | 95.8 | Very high | 96.6 | Very high | 77 Ų | 77 | 35.8 Ų | 35.8 | 34% | 0.335 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -69.5 | -39.3 | 176 | -69.2 | -170.6 | -176.6 | -146.3 | 0 | 112.3 | V196 A197 L198 G204 L207 E209 | V196-K200 HydrophobicContact CG1-CD 4.09Å; V196-K200 HydrophobicContact CG1-CG 4.35Å; V196-K200 WeakPolarHBondContact O-CG 3.03Å; V196-K200 PolarHBondContact O-N 3.33Å; A197-K200 PolarHBondContact O-N 2.79Å; L198-K200 VanDerWaalsContact C-N 3.33Å; L198-K200 PolarHBondContact O-N 3.28Å; K200-G204 VanDerWaalsContact O-CA 3.26Å; K200-G204 WeakPolarHBondContact O-CA 3.25Å; K200-G204 PolarHBondContact O-N 3.27Å; K200-L207 HydrophobicContact CG-CD2 4.1Å; K200-E209 WeakPolarHBondContact CE-OE1 3.24Å; K200-E209 WeakPolarHBondContact CE-OE2 3.35Å; K200-E209 IonicContact NZ-OE1 2.78Å; K200-E209 PolarHBondContact NZ-OE1 3.41Å; K200-E209 IonicContact NZ-OE2 3.78Å; K200-E209 PolarHBondContact NZ-OE2 2.98Å |
| 201 | E | 95.6 | Very high | 96.5 | Very high | 93 Ų | 93 | 41.6 Ų | 41.6 | 44% | 0.435 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -58.2 | -47.9 | 175.3 | -175.5 | -167.9 | 149.7 | 0 | 0 | 111.6 | A197 L198 R276 | A197-E201 WeakPolarHBondContact O-CB 3.14Å; A197-E201 PolarHBondContact O-N 3.33Å; L198-E201 PolarHBondContact O-N 3.03Å; E201-R276 IonicContact OE1-CZ 3.14Å; E201-R276 VanDerWaalsContact OE1-CZ 3.24Å; E201-R276 IonicContact OE1-NH1 3.7Å; E201-R276 PolarHBondContact OE1-NH1 2.95Å; E201-R276 IonicContact OE1-NH2 2.81Å; E201-R276 PolarHBondContact OE1-NH2 3.1Å; E201-R276 IonicContact OE2-CZ 3.61Å; E201-R276 IonicContact OE2-NH2 2.75Å; E201-R276 PolarHBondContact OE2-NH2 3.28Å |
| 202 | V | 97.2 | Very high | 96.3 | Very high | 11 Ų | 11 | 41.3 Ų | 41.3 | 7% | 0.067 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -76 | -47.8 | -176.8 | 176.3 | 0 | 0 | 0 | 0 | 112 | I164 L198 M237 L238 C241 F243 | I164-V202 HydrophobicContact CD1-CB 4.45Å; I164-V202 HydrophobicContact CD1-CG2 3.87Å; L198-V202 WeakPolarHBondContact O-CG2 3.48Å; L198-V202 PolarHBondContact O-N 2.98Å; V202-M237 HydrophobicContact CG1-CB 4.28Å; V202-M237 VanDerWaalsContact O-CE 3.31Å; V202-M237 WeakPolarHBondContact O-CE 3.48Å; V202-L238 HydrophobicContact CG1-CD2 3.83Å; V202-L238 HydrophobicContact CG1-CG 4.01Å; V202-L238 HydrophobicContact CG2-CD2 4.22Å; V202-C241 HydrophobicContact CG2-CB 3.87Å; V202-F243 HydrophobicContact CG2-CD2 4.11Å; V202-F243 HydrophobicContact CG2-CE2 3.6Å; V202-F243 HydrophobicContact CG2-CZ 4.36Å |
| 203 | F | 97.4 | Very high | 96 | Very high | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.018 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -100.4 | -17.4 | -167 | -61.4 | -68 | 0 | 0 | 0 | 114.2 | I164 I192 A199 E205 T206 L207 L226 A234 M237 L238 | I164-F203 HydrophobicContact CG2-CE2 4.27Å; I192-F203 HydrophobicContact CD1-CD2 4.41Å; I192-F203 HydrophobicContact CD1-CE1 4.47Å; I192-F203 HydrophobicContact CD1-CE2 3.72Å; I192-F203 HydrophobicContact CD1-CZ 3.75Å; I192-F203 HydrophobicContact CG1-CD2 4.35Å; I192-F203 HydrophobicContact CG1-CE2 4.11Å; I192-F203 HydrophobicContact CG2-CD2 4.18Å; I192-F203 HydrophobicContact CG2-CE2 3.88Å; A199-F203 WeakPolarHBondContact O-CB 3.17Å; A199-F203 WeakPolarHBondContact O-CD2 3.28Å; A199-F203 PolarHBondContact O-N 3.24Å; F203-E205 PolarHBondContact O-N 3.5Å; F203-T206 WeakPolarHBondContact O-CA 3.44Å; F203-T206 WeakPolarHBondContact O-CB 3.4Å; F203-T206 PolarHBondContact O-N 3.33Å; F203-T206 PolarHBondContact O-OG1 3.47Å; F203-L207 HydrophobicContact CB-CB 3.93Å; F203-L207 HydrophobicContact CB-CD1 4.14Å; F203-L207 HydrophobicContact CB-CG 4.48Å; F203-L207 HydrophobicContact CD2-CD1 4.32Å; F203-L207 HydrophobicContact CG-CD1 4.5Å; F203-L226 HydrophobicContact CB-CD2 3.9Å; F203-L226 HydrophobicContact CD1-CD1 4.13Å; F203-L226 HydrophobicContact CD1-CD2 3.55Å; F203-L226 HydrophobicContact CD2-CD2 4.21Å; F203-L226 HydrophobicContact CE1-CD1 3.97Å; F203-L226 HydrophobicContact CE1-CD2 4.11Å; F203-L226 HydrophobicContact CG-CD2 3.61Å; F203-A234 HydrophobicContact CE1-CB 4.18Å; F203-M237 HydrophobicContact CD1-CE 3.85Å; F203-M237 HydrophobicContact CD1-SD 4.22Å; F203-M237 HydrophobicContact CE1-CB 4.35Å; F203-L238 HydrophobicContact CE1-CG 4.44Å; F203-L238 HydrophobicContact CE2-CD2 4.39Å; F203-L238 HydrophobicContact CZ-CD1 3.94Å; F203-L238 HydrophobicContact CZ-CD2 4.1Å; F203-L238 HydrophobicContact CZ-CG 3.79Å |
| 204 | G | 95.1 | Very high | 95.5 | Very high | 40 Ų | 40 | 51.3 Ų | 51.3 | 41% | 0.412 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | 43.7 | -126.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | K200 T206 L207 | K200-G204 VanDerWaalsContact O-CA 3.26Å; K200-G204 WeakPolarHBondContact O-CA 3.25Å; K200-G204 PolarHBondContact O-N 3.27Å; G204-T206 PolarHBondContact O-N 3.25Å; G204-L207 VanDerWaalsContact O-CB 3.3Å; G204-L207 WeakPolarHBondContact O-CB 3.45Å; G204-L207 PolarHBondContact O-N 2.95Å |
| 205 | E | 95.8 | Very high | 95.1 | Very high | 174 Ų | 174 | 54.2 Ų | 54.2 | 81% | 0.813 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -66.7 | -17 | -179.5 | -58.8 | -175.2 | 170.9 | 0 | 0 | 114.6 | F203 L207 K227 | F203-E205 PolarHBondContact O-N 3.5Å; E205-L207 PolarHBondContact O-N 3.43Å; E205-K227 WeakPolarHBondContact O-CD 3.35Å; E205-K227 WeakPolarHBondContact O-CE 3.49Å; E205-K227 PolarHBondContact O-NZ 2.85Å |
| 206 | T | 97.4 | Very high | 94.8 | Very high | 28 Ų | 28 | 56 Ų | 56 | 17% | 0.172 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -77.9 | -13.7 | 178.1 | 74.6 | 0 | 0 | 0 | 0 | 112.5 | F203 G204 L226 K227 F228 M237 | F203-T206 WeakPolarHBondContact O-CA 3.44Å; F203-T206 WeakPolarHBondContact O-CB 3.4Å; F203-T206 PolarHBondContact O-N 3.33Å; F203-T206 PolarHBondContact O-OG1 3.47Å; G204-T206 PolarHBondContact O-N 3.25Å; T206-L226 WeakPolarHBondContact O-CA 3.44Å; T206-K227 WeakPolarHBondContact O-CG 3.41Å; T206-K227 PolarHBondContact O-N 2.77Å; T206-F228 HydrophobicContact CG2-CD1 4.34Å; T206-F228 HydrophobicContact CG2-CE1 4.08Å; T206-M237 HydrophobicContact CG2-CE 4.36Å |
| 207 | L | 97.6 | Very high | 94.5 | Very high | 8 Ų | 8 | 59 Ų | 59 | 4% | 0.042 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 139 | 174 | -162 | 63.3 | 0 | 0 | 0 | 110.5 | I192 A199 K200 F203 G204 E205 F224 L226 K227 | I192-L207 HydrophobicContact CB-CD1 4.22Å; I192-L207 HydrophobicContact CG1-CD1 4.11Å; I192-L207 HydrophobicContact CG2-CD1 4.42Å; A199-L207 HydrophobicContact CB-CD2 4.06Å; K200-L207 HydrophobicContact CG-CD2 4.1Å; F203-L207 HydrophobicContact CB-CB 3.93Å; F203-L207 HydrophobicContact CB-CD1 4.14Å; F203-L207 HydrophobicContact CB-CG 4.48Å; F203-L207 HydrophobicContact CD2-CD1 4.32Å; F203-L207 HydrophobicContact CG-CD1 4.5Å; G204-L207 VanDerWaalsContact O-CB 3.3Å; G204-L207 WeakPolarHBondContact O-CB 3.45Å; G204-L207 PolarHBondContact O-N 2.95Å; E205-L207 PolarHBondContact O-N 3.43Å; L207-F224 HydrophobicContact CD1-CB 3.87Å; L207-F224 HydrophobicContact CD1-CD2 4.14Å; L207-F224 HydrophobicContact CD1-CG 4.33Å; L207-F224 HydrophobicContact CD2-CD2 3.61Å; L207-F224 HydrophobicContact CD2-CE2 3.86Å; L207-F224 HydrophobicContact CD2-CG 4.37Å; L207-F224 HydrophobicContact CG-CB 4.36Å; L207-F224 HydrophobicContact CG-CD2 4.05Å; L207-F224 HydrophobicContact CG-CG 4.35Å; L207-L226 HydrophobicContact CD1-CD2 3.97Å; L207-K227 WeakPolarHBondContact O-CE 3.46Å |
| 208 | N | 97.1 | Very high | 94.2 | Very high | 38 Ų | 38 | 61.4 Ų | 61.4 | 20% | 0.203 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 116.3 | 173.4 | -169.1 | -46.8 | 0 | 0 | 0 | 110.1 | S210 Y225 K227 | N208-S210 WeakPolarHBondContact OD1-CB 3.41Å; N208-S210 PolarHBondContact OD1-N 3.44Å; N208-S210 PolarHBondContact OD1-OG 3.34Å; N208-Y225 WeakPolarHBondContact CA-O 3.32Å; N208-Y225 HydrophobicContact CB-CD1 4.26Å; N208-Y225 HydrophobicContact CB-CD2 3.93Å; N208-Y225 HydrophobicContact CB-CE1 4.01Å; N208-Y225 HydrophobicContact CB-CE2 3.69Å; N208-Y225 HydrophobicContact CB-CG 4.23Å; N208-Y225 VanDerWaalsContact CB-O 3.22Å; N208-Y225 WeakPolarHBondContact CB-O 3.37Å; N208-Y225 VanDerWaalsContact CG-OH 3.27Å; N208-Y225 PolarHBondContact N-O 2.86Å; N208-Y225 PolarHBondContact ND2-OH 2.95Å; N208-Y225 PolarHBondContact O-N 3.12Å; N208-Y225 PolarHBondContact OD1-OH 3.44Å; N208-K227 HydrophobicContact CB-CG 4.18Å |
| 209 | E | 96.4 | Very high | 94.1 | Very high | 53 Ų | 53 | 69.3 Ų | 69.3 | 25% | 0.248 | 35% | 0.354 | C | S | . | . | trans | -97.9 | -0.4 | -175.1 | -56 | -175.5 | -137.5 | 0 | 0 | 113.4 | K200 R211 D212 P213 F224 | K200-E209 WeakPolarHBondContact CE-OE1 3.24Å; K200-E209 WeakPolarHBondContact CE-OE2 3.35Å; K200-E209 IonicContact NZ-OE1 2.78Å; K200-E209 PolarHBondContact NZ-OE1 3.41Å; K200-E209 IonicContact NZ-OE2 3.78Å; K200-E209 PolarHBondContact NZ-OE2 2.98Å; E209-R211 PolarHBondContact O-N 3.23Å; E209-D212 CarbonylContact O-C 3.55Å; E209-D212 VanDerWaalsContact O-C 3.22Å; E209-D212 PolarHBondContact O-N 3.34Å; E209-P213 VanDerWaalsContact O-N 3.16Å; E209-F224 HydrophobicContact CB-CD1 4.27Å; E209-F224 HydrophobicContact CB-CE1 3.74Å; E209-F224 HydrophobicContact CB-CZ 4.23Å; E209-F224 HydrophobicContact CG-CD1 4.24Å; E209-F224 HydrophobicContact CG-CE1 3.73Å; E209-F224 HydrophobicContact CG-CE2 4.33Å; E209-F224 HydrophobicContact CG-CZ 3.77Å | ||
| 210 | S | 95.6 | Very high | 94.1 | Very high | 77 Ų | 77 | 75.8 Ų | 75.8 | 54% | 0.538 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -21.5 | -171.9 | 56.1 | 0 | 0 | 0 | 0 | 116 | N208 Y225 | N208-S210 WeakPolarHBondContact OD1-CB 3.41Å; N208-S210 PolarHBondContact OD1-N 3.44Å; N208-S210 PolarHBondContact OD1-OG 3.34Å; S210-Y225 PolarHBondContact OG-OH 2.95Å |
| 211 | R | 93.4 | Very high | 94.1 | Very high | 123 Ų | 123 | 72.4 Ų | 72.4 | 46% | 0.464 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -12.4 | 179.3 | -76.3 | -177.8 | 168.4 | -166.7 | -5.2 | 113.9 | R189 E209 R223 Y225 | R189-R211 VanDerWaalsContact NH1-CZ 3.34Å; E209-R211 PolarHBondContact O-N 3.23Å; R211-R223 HydrophobicContact CB-CB 4.3Å; R211-R223 PolarHBondContact O-NE 3.39Å; R211-R223 PolarHBondContact O-NH1 2.89Å; R211-R223 PolarHBondContact O-NH2 2.84Å; R211-Y225 HydrophobicContact CG-CE1 4Å |
| 212 | D | 93.1 | Very high | 94.1 | Very high | 30 Ų | 30 | 71.6 Ų | 71.6 | 16% | 0.16 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -156.7 | 59.4 | -177.2 | -161.3 | 28.5 | 0 | 0 | 0 | 110.4 | E209 R215 T221 R223 F224 | E209-D212 CarbonylContact O-C 3.55Å; E209-D212 VanDerWaalsContact O-C 3.22Å; E209-D212 PolarHBondContact O-N 3.34Å; D212-R215 IonicContact OD1-NE 3.7Å; D212-R215 WeakPolarHBondContact OD2-CD 3.41Å; D212-R215 IonicContact OD2-CZ 3.51Å; D212-R215 IonicContact OD2-NE 2.72Å; D212-R215 PolarHBondContact OD2-NE 2.86Å; D212-R215 IonicContact OD2-NH2 3.93Å; D212-T221 WeakPolarHBondContact OD2-CB 3.4Å; D212-T221 PolarHBondContact OD2-OG1 3.04Å; D212-R223 HydrophobicContact CB-CB 3.76Å; D212-R223 HydrophobicContact CB-CG 4.49Å; D212-F224 HydrophobicContact CB-CD1 4.43Å; D212-F224 HydrophobicContact CB-CE1 4.17Å; D212-F224 WeakPolarHBondContact O-CE1 3.36Å |
| 213 | P | 91.8 | Very high | 94.1 | Very high | 75 Ų | 75 | 77.6 Ų | 77.6 | 49% | 0.487 | 39% | 0.391 | S | S | . | . | trans | -68 | 165.6 | -177.6 | 31.1 | -36.3 | 0 | 0 | 0 | 112.2 | E209 R215 | E209-P213 VanDerWaalsContact O-N 3.16Å; P213-R215 PolarHBondContact O-N 3.38Å | ||
| 214 | D | 88.1 | Confident | 94.1 | Very high | 159 Ų | 159 | 77.4 Ų | 77.4 | 85% | 0.85 | 39% | 0.39 | S | S | * | . | S | Bend | trans | 61 | 25.6 | 169.5 | -50.1 | -44.2 | 0 | 0 | 0 | 115.8 | ||
| 215 | R | 89.1 | Confident | 94.2 | Very high | 72 Ų | 72 | 77.1 Ų | 77.1 | 27% | 0.272 | 38% | 0.377 | S | S | . | . | trans | -82.7 | 132.4 | -179.7 | -146.5 | 178.3 | -150 | -93.3 | 10.9 | 111.6 | V196 D212 P213 R219 Y220 | V196-R215 HydrophobicContact CG2-CB 4.09Å; V196-R215 HydrophobicContact CG2-CG 4.05Å; D212-R215 IonicContact OD1-NE 3.7Å; D212-R215 WeakPolarHBondContact OD2-CD 3.41Å; D212-R215 IonicContact OD2-CZ 3.51Å; D212-R215 IonicContact OD2-NE 2.72Å; D212-R215 PolarHBondContact OD2-NE 2.86Å; D212-R215 IonicContact OD2-NH2 3.93Å; P213-R215 PolarHBondContact O-N 3.38Å; R215-R219 HydrophobicContact CG-CB 4.44Å; R215-Y220 VanDerWaalsContact CZ-C 3.45Å; R215-Y220 PolarHBondContact NH1-O 3.24Å; R215-Y220 PolarHBondContact NH2-O 2.64Å | ||
| 216 | T | 90.3 | Very high | 94.3 | Very high | 77 Ų | 77 | 69.1 Ų | 69.1 | 47% | 0.472 | 34% | 0.34 | S | S | . | . | trans | -64.7 | 145 | 179.7 | 66.1 | 0 | 0 | 0 | 0 | 111.9 | E218 R219 | T216-E218 PolarHBondContact O-N 3.36Å; T216-E218 VanDerWaalsContact O-N 3.14Å; T216-R219 PolarHBondContact O-N 2.85Å; T216-R219 VanDerWaalsContact O-N 3.1Å; T216-R219 WeakPolarHBondContact OG1-CG 3.37Å | ||
| 217 | P | 89.8 | Confident | 94.3 | Very high | 64 Ų | 64 | 74.3 Ų | 74.3 | 42% | 0.416 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -29.9 | -174.1 | -26.3 | 35.4 | 0 | 0 | 0 | 114.8 | A197 R219 | A197-P217 HydrophobicContact CB-CB 3.94Å; A197-P217 VanDerWaalsContact CB-O 3.27Å; A197-P217 WeakPolarHBondContact CB-O 3.45Å; A197-P217 PolarHBondContact N-O 3.28Å; P217-R219 VanDerWaalsContact C-N 3.33Å; P217-R219 PolarHBondContact O-N 2.86Å |
| 218 | E | 88.3 | Confident | 94.2 | Very high | 87 Ų | 87 | 75 Ų | 75 | 41% | 0.407 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -16.4 | -178.5 | -66.1 | 74.5 | -163.1 | 0 | 0 | 113.9 | R159 T216 | R159-E218 IonicContact CZ-OE1 3.7Å; R159-E218 IonicContact NH1-OE1 2.7Å; R159-E218 PolarHBondContact NH1-OE1 3.02Å; R159-E218 VanDerWaalsContact NH2-CD 3.35Å; R159-E218 IonicContact NH2-OE1 2.92Å; R159-E218 PolarHBondContact NH2-OE1 2.97Å; T216-E218 PolarHBondContact O-N 3.36Å; T216-E218 VanDerWaalsContact O-N 3.14Å |
| 219 | R | 94.3 | Very high | 94 | Very high | 165 Ų | 165 | 79.3 Ų | 79.3 | 62% | 0.623 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -87.1 | 162.3 | -173.6 | -60.7 | -78.4 | -91.8 | -164.9 | -6 | 111.3 | V196 R215 T216 P217 | V196-R219 VanDerWaalsContact CG2-O 3.26Å; V196-R219 WeakPolarHBondContact CG2-O 3.48Å; V196-R219 PolarHBondContact N-O 2.84Å; R215-R219 HydrophobicContact CG-CB 4.44Å; T216-R219 PolarHBondContact O-N 2.85Å; T216-R219 VanDerWaalsContact O-N 3.1Å; T216-R219 WeakPolarHBondContact OG1-CG 3.37Å; P217-R219 VanDerWaalsContact C-N 3.33Å; P217-R219 PolarHBondContact O-N 2.86Å |
| 220 | Y | 96.5 | Very high | 93.9 | Very high | 136 Ų | 136 | 82.8 Ų | 82.8 | 53% | 0.533 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 123.3 | -179 | -74.8 | -96.9 | 0 | 0 | 0 | 114 | G194 R195 R215 | G194-Y220 CarbonylContact O-C 3.22Å; G194-Y220 VanDerWaalsContact O-CA 3.29Å; G194-Y220 WeakPolarHBondContact O-CA 3.49Å; R195-Y220 HydrophobicContact CB-CD1 4.19Å; R195-Y220 HydrophobicContact CB-CE1 3.9Å; R195-Y220 PolarHBondContact NE-OH 2.72Å; R195-Y220 PolarHBondContact NH2-OH 2.98Å; R195-Y220 VanDerWaalsContact NH2-OH 3.11Å; R215-Y220 VanDerWaalsContact CZ-C 3.45Å; R215-Y220 PolarHBondContact NH1-O 3.24Å; R215-Y220 PolarHBondContact NH2-O 2.64Å |
| 221 | T | 96.6 | Very high | 93.8 | Very high | 6 Ų | 6 | 79.2 Ų | 79.2 | 4% | 0.037 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 160 | 178.4 | -173.5 | 0 | 0 | 0 | 0 | 112.2 | C193 G194 V196 D212 R223 F224 | C193-T221 CarbonylContact C-O 3.48Å; C193-T221 VanDerWaalsContact CA-O 3.25Å; C193-T221 WeakPolarHBondContact CA-O 3.46Å; G194-T221 PolarHBondContact N-O 3.5Å; G194-T221 PolarHBondContact O-N 2.82Å; V196-T221 HydrophobicContact CG2-CG2 4.03Å; D212-T221 WeakPolarHBondContact OD2-CB 3.4Å; D212-T221 PolarHBondContact OD2-OG1 3.04Å; T221-R223 PolarHBondContact OG1-N 2.87Å; T221-F224 HydrophobicContact CG2-CB 4.49Å; T221-F224 HydrophobicContact CG2-CD1 4.11Å; T221-F224 HydrophobicContact CG2-CD2 3.44Å; T221-F224 VanDerWaalsContact CG2-CD2 3.44Å; T221-F224 HydrophobicContact CG2-CE1 4.22Å; T221-F224 HydrophobicContact CG2-CE2 3.59Å; T221-F224 HydrophobicContact CG2-CG 3.74Å; T221-F224 HydrophobicContact CG2-CZ 3.99Å |
| 222 | S | 96.6 | Very high | 93.8 | Very high | 76 Ų | 76 | 78.7 Ų | 78.7 | 53% | 0.531 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 15.1 | 171.7 | 58.4 | 0 | 0 | 0 | 0 | 112.6 | C193 | C193-S222 VanDerWaalsContact SG-CA 3.57Å |
| 223 | R | 96.1 | Very high | 94 | Very high | 137 Ų | 137 | 83 Ų | 83 | 52% | 0.517 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | -7 | -167.2 | -62.3 | -173 | 73 | -177.9 | 0.7 | 114.1 | R211 D212 T221 | R211-R223 HydrophobicContact CB-CB 4.3Å; R211-R223 PolarHBondContact O-NE 3.39Å; R211-R223 PolarHBondContact O-NH1 2.89Å; R211-R223 PolarHBondContact O-NH2 2.84Å; D212-R223 HydrophobicContact CB-CB 3.76Å; D212-R223 HydrophobicContact CB-CG 4.49Å; T221-R223 PolarHBondContact OG1-N 2.87Å |
| 224 | F | 97.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 155.8 | 175.3 | -69.1 | -12.4 | 0 | 0 | 0 | 111.6 | L191 I192 V196 A199 L207 E209 D212 T221 | L191-F224 WeakPolarHBondContact CA-O 3.39Å; I192-F224 HydrophobicContact CB-CB 4.22Å; I192-F224 PolarHBondContact N-O 3.3Å; V196-F224 HydrophobicContact CG1-CE2 4.28Å; V196-F224 HydrophobicContact CG1-CZ 4.42Å; V196-F224 HydrophobicContact CG2-CE2 4.28Å; V196-F224 HydrophobicContact CG2-CZ 4.38Å; A199-F224 HydrophobicContact CB-CD2 4.27Å; L207-F224 HydrophobicContact CD1-CB 3.87Å; L207-F224 HydrophobicContact CD1-CD2 4.14Å; L207-F224 HydrophobicContact CD1-CG 4.33Å; L207-F224 HydrophobicContact CD2-CD2 3.61Å; L207-F224 HydrophobicContact CD2-CE2 3.86Å; L207-F224 HydrophobicContact CD2-CG 4.37Å; L207-F224 HydrophobicContact CG-CB 4.36Å; L207-F224 HydrophobicContact CG-CD2 4.05Å; L207-F224 HydrophobicContact CG-CG 4.35Å; E209-F224 HydrophobicContact CB-CD1 4.27Å; E209-F224 HydrophobicContact CB-CE1 3.74Å; E209-F224 HydrophobicContact CB-CZ 4.23Å; E209-F224 HydrophobicContact CG-CD1 4.24Å; E209-F224 HydrophobicContact CG-CE1 3.73Å; E209-F224 HydrophobicContact CG-CE2 4.33Å; E209-F224 HydrophobicContact CG-CZ 3.77Å; D212-F224 HydrophobicContact CB-CD1 4.43Å; D212-F224 HydrophobicContact CB-CE1 4.17Å; D212-F224 WeakPolarHBondContact O-CE1 3.36Å; T221-F224 HydrophobicContact CG2-CB 4.49Å; T221-F224 HydrophobicContact CG2-CD1 4.11Å; T221-F224 HydrophobicContact CG2-CD2 3.44Å; T221-F224 VanDerWaalsContact CG2-CD2 3.44Å; T221-F224 HydrophobicContact CG2-CE1 4.22Å; T221-F224 HydrophobicContact CG2-CE2 3.59Å; T221-F224 HydrophobicContact CG2-CG 3.74Å; T221-F224 HydrophobicContact CG2-CZ 3.99Å |
| 225 | Y | 97.8 | Very high | 94.7 | Very high | 34 Ų | 34 | 73.7 Ų | 73.7 | 13% | 0.133 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 156 | 174.9 | 61.9 | -81.4 | 0 | 0 | 0 | 111.2 | R189 I190 N208 S210 R211 | R189-Y225 HydrophobicContact CG-CD2 3.86Å; R189-Y225 HydrophobicContact CG-CG 4.05Å; I190-Y225 CarbonylContact O-C 3.51Å; I190-Y225 WeakPolarHBondContact O-CA 3.3Å; I190-Y225 WeakPolarHBondContact O-CB 3.44Å; N208-Y225 WeakPolarHBondContact CA-O 3.32Å; N208-Y225 HydrophobicContact CB-CD1 4.26Å; N208-Y225 HydrophobicContact CB-CD2 3.93Å; N208-Y225 HydrophobicContact CB-CE1 4.01Å; N208-Y225 HydrophobicContact CB-CE2 3.69Å; N208-Y225 HydrophobicContact CB-CG 4.23Å; N208-Y225 VanDerWaalsContact CB-O 3.22Å; N208-Y225 WeakPolarHBondContact CB-O 3.37Å; N208-Y225 VanDerWaalsContact CG-OH 3.27Å; N208-Y225 PolarHBondContact N-O 2.86Å; N208-Y225 PolarHBondContact ND2-OH 2.95Å; N208-Y225 PolarHBondContact O-N 3.12Å; N208-Y225 PolarHBondContact OD1-OH 3.44Å; S210-Y225 PolarHBondContact OG-OH 2.95Å; R211-Y225 HydrophobicContact CG-CE1 4Å |
| 226 | L | 97.9 | Very high | 95.1 | Very high | 6 Ų | 6 | 74.7 Ų | 74.7 | 3% | 0.031 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 147.8 | 179.9 | -57.6 | 179.3 | 0 | 0 | 0 | 111.7 | I190 I192 F203 T206 L207 F228 A234 | I190-L226 HydrophobicContact CB-CB 4.26Å; I190-L226 HydrophobicContact CB-CD1 4.13Å; I190-L226 HydrophobicContact CB-CG 4.29Å; I190-L226 HydrophobicContact CD1-CD1 4.28Å; I190-L226 HydrophobicContact CG2-CD1 3.8Å; I190-L226 HydrophobicContact CG2-CG 4.21Å; I190-L226 PolarHBondContact O-N 3.3Å; I192-L226 HydrophobicContact CD1-CD1 4.04Å; I192-L226 HydrophobicContact CD1-CD2 4.21Å; I192-L226 HydrophobicContact CD1-CG 4Å; I192-L226 HydrophobicContact CG1-CD1 4.41Å; I192-L226 HydrophobicContact CG1-CD2 3.79Å; I192-L226 HydrophobicContact CG1-CG 3.82Å; F203-L226 HydrophobicContact CB-CD2 3.9Å; F203-L226 HydrophobicContact CD1-CD1 4.13Å; F203-L226 HydrophobicContact CD1-CD2 3.55Å; F203-L226 HydrophobicContact CD2-CD2 4.21Å; F203-L226 HydrophobicContact CE1-CD1 3.97Å; F203-L226 HydrophobicContact CE1-CD2 4.11Å; F203-L226 HydrophobicContact CG-CD2 3.61Å; T206-L226 WeakPolarHBondContact O-CA 3.44Å; L207-L226 HydrophobicContact CD1-CD2 3.97Å; L226-F228 VanDerWaalsContact C-N 3.26Å; L226-F228 HydrophobicContact CB-CD1 4.43Å; L226-F228 HydrophobicContact CB-CE1 4.36Å; L226-F228 HydrophobicContact CB-CZ 4.46Å; L226-F228 HydrophobicContact CD1-CE1 4.15Å; L226-F228 HydrophobicContact CD1-CE2 3.76Å; L226-F228 HydrophobicContact CD1-CZ 3.55Å; L226-F228 HydrophobicContact CG-CZ 4.47Å; L226-F228 PolarHBondContact O-N 2.98Å; L226-A234 HydrophobicContact CD1-CB 3.57Å |
| 227 | K | 96.4 | Very high | 95.5 | Very high | 138 Ų | 138 | 72.6 Ų | 72.6 | 60% | 0.6 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -70.9 | -21.5 | 175.3 | -66.5 | 177.4 | -175.5 | 170.9 | 0 | 112.5 | E205 T206 L207 N208 | E205-K227 WeakPolarHBondContact O-CD 3.35Å; E205-K227 WeakPolarHBondContact O-CE 3.49Å; E205-K227 PolarHBondContact O-NZ 2.85Å; T206-K227 WeakPolarHBondContact O-CG 3.41Å; T206-K227 PolarHBondContact O-N 2.77Å; L207-K227 WeakPolarHBondContact O-CE 3.46Å; N208-K227 HydrophobicContact CB-CG 4.18Å |
| 228 | F | 95.3 | Very high | 95.8 | Very high | 21 Ų | 21 | 69.6 Ų | 69.6 | 9% | 0.092 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -105.2 | 171.7 | 174.8 | 63.4 | -98.8 | 0 | 0 | 0 | 112.2 | I190 T206 L226 H230 R233 A234 M237 | I190-F228 HydrophobicContact CD1-CD2 4.35Å; I190-F228 HydrophobicContact CD1-CE2 4.31Å; T206-F228 HydrophobicContact CG2-CD1 4.34Å; T206-F228 HydrophobicContact CG2-CE1 4.08Å; L226-F228 VanDerWaalsContact C-N 3.26Å; L226-F228 HydrophobicContact CB-CD1 4.43Å; L226-F228 HydrophobicContact CB-CE1 4.36Å; L226-F228 HydrophobicContact CB-CZ 4.46Å; L226-F228 HydrophobicContact CD1-CE1 4.15Å; L226-F228 HydrophobicContact CD1-CE2 3.76Å; L226-F228 HydrophobicContact CD1-CZ 3.55Å; L226-F228 HydrophobicContact CG-CZ 4.47Å; L226-F228 PolarHBondContact O-N 2.98Å; F228-H230 VanDerWaalsContact CE2-O 3.32Å; F228-H230 WeakPolarHBondContact CE2-O 3.48Å; F228-R233 HydrophobicContact CD2-CB 4.33Å; F228-R233 HydrophobicContact CD2-CG 4.31Å; F228-R233 HydrophobicContact CE1-CG 4.45Å; F228-R233 HydrophobicContact CE2-CB 3.82Å; F228-R233 HydrophobicContact CE2-CG 3.77Å; F228-R233 HydrophobicContact CZ-CB 4.35Å; F228-R233 HydrophobicContact CZ-CG 3.83Å; F228-A234 HydrophobicContact CE2-CB 4.02Å; F228-A234 HydrophobicContact CZ-CB 4.2Å; F228-M237 HydrophobicContact CE1-SD 3.85Å; F228-M237 HydrophobicContact CZ-SD 3.69Å |
| 229 | K | 93.6 | Very high | 96.2 | Very high | 129 Ų | 129 | 69.2 Ų | 69.2 | 56% | 0.561 | 32% | 0.315 | S | S | * | . | trans | -122.8 | -4.9 | -170.6 | -64.2 | 179.2 | -175.9 | 173 | 0 | 115.8 | V187 P188 | V187-K229 WeakPolarHBondContact CB-O 3.43Å; P188-K229 WeakPolarHBondContact O-CE 3.33Å | ||
| 230 | H | 93.1 | Very high | 96.2 | Very high | 126 Ų | 126 | 69 Ų | 69 | 58% | 0.583 | 32% | 0.321 | S | S | * | . | trans | -80.7 | 121.5 | 176.9 | -55.6 | 103.9 | 0 | 0 | 0 | 109.7 | I190 F228 R233 | I190-H230 WeakPolarHBondContact CD1-O 2.99Å; F228-H230 VanDerWaalsContact CE2-O 3.32Å; F228-H230 WeakPolarHBondContact CE2-O 3.48Å; H230-R233 HydrophobicContact CB-CB 4.12Å | ||
| 231 | L | 93.9 | Very high | 96.1 | Very high | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -71.4 | -40.3 | -176.7 | -83.4 | 169.4 | 0 | 0 | 0 | 111.2 | V166 Y168 V187 I190 R233 A234 F235 Y272 | V166-L231 HydrophobicContact CG1-CD2 4.09Å; Y168-L231 HydrophobicContact CD1-CD1 3.77Å; Y168-L231 HydrophobicContact CD1-CD2 4.29Å; Y168-L231 HydrophobicContact CE1-CD1 3.79Å; V187-L231 HydrophobicContact CG1-CG 4.24Å; V187-L231 HydrophobicContact CG2-CD1 3.65Å; V187-L231 HydrophobicContact CG2-CG 3.96Å; I190-L231 HydrophobicContact CD1-CD2 4Å; I190-L231 HydrophobicContact CD1-CG 4.31Å; I190-L231 HydrophobicContact CG1-CD2 3.91Å; I190-L231 HydrophobicContact CG1-CG 4.46Å; I190-L231 HydrophobicContact CG2-CD2 4.23Å; L231-R233 VanDerWaalsContact C-N 3.28Å; L231-R233 PolarHBondContact O-N 3.22Å; L231-A234 WeakPolarHBondContact O-CA 3.2Å; L231-A234 WeakPolarHBondContact O-CB 3.42Å; L231-A234 PolarHBondContact O-N 3.3Å; L231-F235 HydrophobicContact CB-CE2 4.11Å; L231-F235 HydrophobicContact CB-CZ 4.02Å; L231-F235 HydrophobicContact CD2-CE1 4.39Å; L231-F235 HydrophobicContact CD2-CZ 4.26Å; L231-F235 WeakPolarHBondContact O-CD1 3.47Å; L231-F235 VanDerWaalsContact O-CG 3.32Å; L231-F235 WeakPolarHBondContact O-CG 3.34Å; L231-F235 PolarHBondContact O-N 3.18Å; L231-Y272 HydrophobicContact CD1-CE2 4.25Å; L231-Y272 HydrophobicContact CD2-CE2 4.45Å |
| 232 | E | 94.4 | Very high | 96 | Very high | 113 Ų | 113 | 66.2 Ų | 66.2 | 53% | 0.528 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -57.4 | -45.1 | -178.9 | -60.3 | 74.6 | -164.7 | 0 | 0 | 109.7 | A234 F235 D236 | E232-A234 VanDerWaalsContact C-N 3.28Å; E232-A234 PolarHBondContact O-N 3.25Å; E232-F235 CarbonylContact O-C 3.56Å; E232-F235 WeakPolarHBondContact O-CA 3.46Å; E232-F235 WeakPolarHBondContact O-CB 3.25Å; E232-F235 PolarHBondContact O-N 2.83Å; E232-D236 PolarHBondContact O-N 2.86Å |
| 233 | R | 96.1 | Very high | 96.1 | Very high | 120 Ų | 120 | 62.8 Ų | 62.8 | 45% | 0.453 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -57 | -39 | 172.9 | -178.8 | 178.5 | 175.1 | -178.1 | 0.1 | 113 | F228 H230 L231 F235 M237 | F228-R233 HydrophobicContact CD2-CB 4.33Å; F228-R233 HydrophobicContact CD2-CG 4.31Å; F228-R233 HydrophobicContact CE1-CG 4.45Å; F228-R233 HydrophobicContact CE2-CB 3.82Å; F228-R233 HydrophobicContact CE2-CG 3.77Å; F228-R233 HydrophobicContact CZ-CB 4.35Å; F228-R233 HydrophobicContact CZ-CG 3.83Å; H230-R233 HydrophobicContact CB-CB 4.12Å; L231-R233 VanDerWaalsContact C-N 3.28Å; L231-R233 PolarHBondContact O-N 3.22Å; R233-F235 VanDerWaalsContact C-N 3.33Å; R233-M237 HydrophobicContact CG-SD 4.37Å; R233-M237 VanDerWaalsContact O-CG 3.22Å; R233-M237 WeakPolarHBondContact O-CG 3.37Å; R233-M237 PolarHBondContact O-N 2.96Å; R233-M237 VanDerWaalsContact O-N 3.16Å |
| 234 | A | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -70.2 | -33.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | F203 L226 F228 L231 E232 L238 | F203-A234 HydrophobicContact CE1-CB 4.18Å; L226-A234 HydrophobicContact CD1-CB 3.57Å; F228-A234 HydrophobicContact CE2-CB 4.02Å; F228-A234 HydrophobicContact CZ-CB 4.2Å; L231-A234 WeakPolarHBondContact O-CA 3.2Å; L231-A234 WeakPolarHBondContact O-CB 3.42Å; L231-A234 PolarHBondContact O-N 3.3Å; E232-A234 VanDerWaalsContact C-N 3.28Å; E232-A234 PolarHBondContact O-N 3.25Å; A234-L238 WeakPolarHBondContact O-CD1 3.35Å; A234-L238 WeakPolarHBondContact O-CG 3.49Å; A234-L238 PolarHBondContact O-N 3.04Å; A234-L238 VanDerWaalsContact O-N 3.16Å |
| 235 | F | 97.8 | Very high | 96.1 | Very high | 38 Ų | 38 | 67.5 Ų | 67.5 | 17% | 0.167 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -69.4 | -42 | 175.8 | -56.3 | -22.1 | 0 | 0 | 0 | 111.7 | V166 L231 E232 R233 L238 S239 M245 Y272 F274 | V166-F235 HydrophobicContact CB-CE1 4.39Å; V166-F235 HydrophobicContact CG1-CE1 4.22Å; L231-F235 HydrophobicContact CB-CE2 4.11Å; L231-F235 HydrophobicContact CB-CZ 4.02Å; L231-F235 HydrophobicContact CD2-CE1 4.39Å; L231-F235 HydrophobicContact CD2-CZ 4.26Å; L231-F235 WeakPolarHBondContact O-CD1 3.47Å; L231-F235 VanDerWaalsContact O-CG 3.32Å; L231-F235 WeakPolarHBondContact O-CG 3.34Å; L231-F235 PolarHBondContact O-N 3.18Å; E232-F235 CarbonylContact O-C 3.56Å; E232-F235 WeakPolarHBondContact O-CA 3.46Å; E232-F235 WeakPolarHBondContact O-CB 3.25Å; E232-F235 PolarHBondContact O-N 2.83Å; R233-F235 VanDerWaalsContact C-N 3.33Å; F235-L238 PolarHBondContact O-N 3.31Å; F235-S239 WeakPolarHBondContact O-CB 3.29Å; F235-S239 PolarHBondContact O-N 2.9Å; F235-M245 HydrophobicContact CD1-CE 4.49Å; F235-M245 HydrophobicContact CD2-CE 4.32Å; F235-M245 HydrophobicContact CE1-CE 4.36Å; F235-M245 HydrophobicContact CE2-CE 4.19Å; F235-M245 HydrophobicContact CG-CE 4.47Å; F235-M245 HydrophobicContact CZ-CE 4.21Å; F235-Y272 AromaticContact CE1-CD2 3.91Å; F235-Y272 HydrophobicContact CE1-CD2 3.91Å; F235-Y272 HydrophobicContact CE1-CE2 4.44Å; F235-Y272 HydrophobicContact CE1-CG 4.05Å; F235-Y272 HydrophobicContact CZ-CD1 4.14Å; F235-Y272 AromaticContact CZ-CD2 3.64Å; F235-Y272 HydrophobicContact CZ-CD2 3.64Å; F235-Y272 HydrophobicContact CZ-CE1 4.25Å; F235-Y272 AromaticContact CZ-CE2 3.76Å; F235-Y272 HydrophobicContact CZ-CE2 3.76Å; F235-Y272 AromaticContact CZ-CG 3.82Å; F235-Y272 HydrophobicContact CZ-CG 3.82Å; F235-F274 HydrophobicContact CB-CZ 4.19Å; F235-F274 HydrophobicContact CD1-CE1 4.48Å; F235-F274 AromaticContact CD1-CE2 3.71Å; F235-F274 HydrophobicContact CD1-CE2 3.71Å; F235-F274 AromaticContact CD1-CZ 3.36Å; F235-F274 HydrophobicContact CD1-CZ 3.36Å; F235-F274 AromaticContact CE1-CE2 3.85Å; F235-F274 HydrophobicContact CE1-CE2 3.85Å; F235-F274 AromaticContact CE1-CZ 3.89Å; F235-F274 HydrophobicContact CE1-CZ 3.89Å; F235-F274 AromaticContact CG-CZ 3.91Å; F235-F274 HydrophobicContact CG-CZ 3.91Å |
| 236 | D | 97.1 | Very high | 96.1 | Very high | 93 Ų | 93 | 69.7 Ų | 69.7 | 50% | 0.497 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -59.5 | -48.7 | 175.9 | -61.8 | -27 | 0 | 0 | 0 | 110.3 | E232 L238 S239 E240 | E232-D236 PolarHBondContact O-N 2.86Å; D236-L238 VanDerWaalsContact C-N 3.3Å; D236-L238 PolarHBondContact O-N 2.88Å; D236-S239 PolarHBondContact O-N 3.15Å; D236-S239 VanDerWaalsContact O-N 3.12Å; D236-E240 WeakPolarHBondContact O-CG 3.24Å; D236-E240 PolarHBondContact O-N 2.93Å |
| 237 | M | 97.9 | Very high | 96 | Very high | 34 Ų | 34 | 71.8 Ų | 71.8 | 17% | 0.167 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58.2 | -39.8 | 176.4 | -69.4 | 175.6 | 70.4 | 0 | 0 | 112.7 | V202 F203 T206 F228 R233 C241 | V202-M237 HydrophobicContact CG1-CB 4.28Å; V202-M237 VanDerWaalsContact O-CE 3.31Å; V202-M237 WeakPolarHBondContact O-CE 3.48Å; F203-M237 HydrophobicContact CD1-CE 3.85Å; F203-M237 HydrophobicContact CD1-SD 4.22Å; F203-M237 HydrophobicContact CE1-CB 4.35Å; T206-M237 HydrophobicContact CG2-CE 4.36Å; F228-M237 HydrophobicContact CE1-SD 3.85Å; F228-M237 HydrophobicContact CZ-SD 3.69Å; R233-M237 HydrophobicContact CG-SD 4.37Å; R233-M237 VanDerWaalsContact O-CG 3.22Å; R233-M237 WeakPolarHBondContact O-CG 3.37Å; R233-M237 PolarHBondContact O-N 2.96Å; R233-M237 VanDerWaalsContact O-N 3.16Å; M237-C241 PolarHBondContact O-N 2.78Å; M237-C241 PolarHBondContact O-SG 2.98Å; M237-C241 VanDerWaalsContact O-SG 3.35Å |
| 238 | L | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -67.3 | -43.8 | 175.7 | -80.3 | 162.7 | 0 | 0 | 0 | 111.8 | I164 V166 V202 F203 A234 F235 D236 C241 G242 F243 F274 | I164-L238 HydrophobicContact CB-CD2 4.09Å; I164-L238 HydrophobicContact CD1-CD2 3.74Å; I164-L238 HydrophobicContact CG1-CD2 4.49Å; I164-L238 HydrophobicContact CG2-CD2 4.01Å; V166-L238 HydrophobicContact CG2-CD1 3.48Å; V166-L238 VanDerWaalsContact CG2-CD1 3.48Å; V202-L238 HydrophobicContact CG1-CD2 3.83Å; V202-L238 HydrophobicContact CG1-CG 4.01Å; V202-L238 HydrophobicContact CG2-CD2 4.22Å; F203-L238 HydrophobicContact CE1-CG 4.44Å; F203-L238 HydrophobicContact CE2-CD2 4.39Å; F203-L238 HydrophobicContact CZ-CD1 3.94Å; F203-L238 HydrophobicContact CZ-CD2 4.1Å; F203-L238 HydrophobicContact CZ-CG 3.79Å; A234-L238 WeakPolarHBondContact O-CD1 3.35Å; A234-L238 WeakPolarHBondContact O-CG 3.49Å; A234-L238 PolarHBondContact O-N 3.04Å; A234-L238 VanDerWaalsContact O-N 3.16Å; F235-L238 PolarHBondContact O-N 3.31Å; D236-L238 VanDerWaalsContact C-N 3.3Å; D236-L238 PolarHBondContact O-N 2.88Å; L238-C241 CarbonylContact O-C 3.55Å; L238-C241 PolarHBondContact O-N 2.78Å; L238-G242 PolarHBondContact O-N 3.42Å; L238-F243 HydrophobicContact CB-CB 4.08Å; L238-F243 HydrophobicContact CD2-CB 4.11Å; L238-F243 HydrophobicContact CD2-CD1 4.27Å; L238-F243 HydrophobicContact CD2-CD2 3.98Å; L238-F243 HydrophobicContact CD2-CE2 4.5Å; L238-F243 HydrophobicContact CD2-CG 3.86Å; L238-F243 WeakPolarHBondContact O-CB 3.35Å; L238-F243 PolarHBondContact O-N 2.81Å; L238-F274 HydrophobicContact CB-CD1 4.06Å; L238-F274 HydrophobicContact CB-CE1 4.21Å; L238-F274 HydrophobicContact CD1-CB 4.41Å; L238-F274 HydrophobicContact CD1-CD1 4.04Å; L238-F274 HydrophobicContact CD1-CD2 3.69Å; L238-F274 HydrophobicContact CD1-CE1 4.17Å; L238-F274 HydrophobicContact CD1-CE2 3.83Å; L238-F274 HydrophobicContact CD1-CG 3.79Å; L238-F274 HydrophobicContact CD1-CZ 4.07Å |
| 239 | S | 95.7 | Very high | 95.9 | Very high | 80 Ų | 80 | 72.5 Ų | 72.5 | 56% | 0.559 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -63.6 | -43.3 | 179.5 | -173.1 | 0 | 0 | 0 | 0 | 111.9 | F235 D236 C241 G242 | F235-S239 WeakPolarHBondContact O-CB 3.29Å; F235-S239 PolarHBondContact O-N 2.9Å; D236-S239 PolarHBondContact O-N 3.15Å; D236-S239 VanDerWaalsContact O-N 3.12Å; S239-C241 PolarHBondContact O-N 3.49Å; S239-G242 PolarHBondContact O-N 2.81Å |
| 240 | E | 94.9 | Very high | 95.8 | Very high | 159 Ų | 159 | 69.8 Ų | 69.8 | 74% | 0.743 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -59 | -33.5 | 174.2 | -73.5 | 173.8 | -172.9 | 0 | 0 | 111.8 | D236 G242 | D236-E240 WeakPolarHBondContact O-CG 3.24Å; D236-E240 PolarHBondContact O-N 2.93Å; E240-G242 VanDerWaalsContact C-N 3.28Å; E240-G242 PolarHBondContact O-N 2.95Å |
| 241 | C | 94.6 | Very high | 95.6 | Very high | 39 Ų | 39 | 66 Ų | 66 | 26% | 0.264 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 6.9 | 175 | -65.7 | 0 | 0 | 0 | 0 | 114.2 | V202 M237 L238 S239 F243 R276 | V202-C241 HydrophobicContact CG2-CB 3.87Å; M237-C241 PolarHBondContact O-N 2.78Å; M237-C241 PolarHBondContact O-SG 2.98Å; M237-C241 VanDerWaalsContact O-SG 3.35Å; L238-C241 CarbonylContact O-C 3.55Å; L238-C241 PolarHBondContact O-N 2.78Å; S239-C241 PolarHBondContact O-N 3.49Å; C241-F243 HydrophobicContact CB-CD2 4.06Å; C241-F243 HydrophobicContact CB-CE2 4.33Å; C241-R276 WeakPolarHBondContact O-CD 3.49Å; C241-R276 PolarHBondContact O-NH1 2.94Å |
| 242 | G | 95.1 | Very high | 95.4 | Very high | 45 Ų | 45 | 70.1 Ų | 70.1 | 46% | 0.464 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | 16.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | L238 S239 E240 R276 | L238-G242 PolarHBondContact O-N 3.42Å; S239-G242 PolarHBondContact O-N 2.81Å; E240-G242 VanDerWaalsContact C-N 3.28Å; E240-G242 PolarHBondContact O-N 2.95Å; G242-R276 WeakPolarHBondContact O-CG 3.45Å |
| 243 | F | 97.2 | Very high | 94.8 | Very high | 5 Ų | 5 | 68 Ų | 68 | 2% | 0.022 | 39% | 0.391 | C | S | . | . | trans | -84.7 | 138.7 | 172.3 | -73.7 | -100.2 | 0 | 0 | 0 | 111.3 | G162 I164 L198 V202 L238 C241 F274 Y275 R276 | G162-F243 WeakPolarHBondContact O-CE1 3.22Å; I164-F243 HydrophobicContact CB-CE1 4.24Å; I164-F243 HydrophobicContact CD1-CE1 3.82Å; I164-F243 HydrophobicContact CD1-CE2 4.1Å; I164-F243 HydrophobicContact CD1-CZ 3.59Å; I164-F243 HydrophobicContact CG1-CE1 3.8Å; I164-F243 HydrophobicContact CG1-CZ 4.04Å; L198-F243 HydrophobicContact CB-CZ 4.41Å; L198-F243 HydrophobicContact CD1-CZ 4.38Å; L198-F243 HydrophobicContact CD2-CZ 4.47Å; V202-F243 HydrophobicContact CG2-CD2 4.11Å; V202-F243 HydrophobicContact CG2-CE2 3.6Å; V202-F243 HydrophobicContact CG2-CZ 4.36Å; L238-F243 HydrophobicContact CB-CB 4.08Å; L238-F243 HydrophobicContact CD2-CB 4.11Å; L238-F243 HydrophobicContact CD2-CD1 4.27Å; L238-F243 HydrophobicContact CD2-CD2 3.98Å; L238-F243 HydrophobicContact CD2-CE2 4.5Å; L238-F243 HydrophobicContact CD2-CG 3.86Å; L238-F243 WeakPolarHBondContact O-CB 3.35Å; L238-F243 PolarHBondContact O-N 2.81Å; C241-F243 HydrophobicContact CB-CD2 4.06Å; C241-F243 HydrophobicContact CB-CE2 4.33Å; F243-F274 HydrophobicContact CB-CB 4.1Å; F243-F274 HydrophobicContact CB-CD1 4.22Å; F243-F274 HydrophobicContact CD1-CB 4.09Å; F243-Y275 WeakPolarHBondContact CA-O 3.42Å; F243-R276 HydrophobicContact CD1-CB 3.63Å; F243-R276 HydrophobicContact CD2-CB 3.95Å; F243-R276 HydrophobicContact CE1-CB 3.62Å; F243-R276 HydrophobicContact CE2-CB 3.94Å; F243-R276 HydrophobicContact CG-CB 3.79Å; F243-R276 HydrophobicContact CZ-CB 3.77Å | ||
| 244 | Q | 96.9 | Very high | 94.1 | Very high | 144 Ų | 144 | 64.6 Ų | 64.6 | 67% | 0.673 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 139 | 174.1 | -64.9 | 179.9 | -10.4 | 0 | 0 | 110.3 | V246 F274 Y275 | Q244-V246 PolarHBondContact O-N 2.94Å; Q244-F274 CarbonylContact O-C 3.52Å; Q244-F274 VanDerWaalsContact O-CA 3.24Å; Q244-F274 WeakPolarHBondContact O-CA 3.33Å; Q244-Y275 PolarHBondContact N-O 2.85Å; Q244-Y275 PolarHBondContact O-N 3.02Å |
| 245 | M | 96.8 | Very high | 93.1 | Very high | 91 Ų | 91 | 67.2 Ų | 67.2 | 45% | 0.448 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 120.7 | 172.5 | -170.1 | -175.1 | -64.4 | 0 | 0 | 109.2 | F235 Y272 V273 F274 | F235-M245 HydrophobicContact CD1-CE 4.49Å; F235-M245 HydrophobicContact CD2-CE 4.32Å; F235-M245 HydrophobicContact CE1-CE 4.36Å; F235-M245 HydrophobicContact CE2-CE 4.19Å; F235-M245 HydrophobicContact CG-CE 4.47Å; F235-M245 HydrophobicContact CZ-CE 4.21Å; M245-Y272 HydrophobicContact CE-CD1 3.95Å; M245-Y272 HydrophobicContact CE-CG 4.38Å; M245-Y272 HydrophobicContact SD-CD1 4.01Å; M245-V273 WeakPolarHBondContact CA-O 3.44Å; M245-F274 HydrophobicContact CB-CD1 4.1Å; M245-F274 HydrophobicContact CB-CE1 3.77Å; M245-F274 HydrophobicContact CB-CZ 4.06Å; M245-F274 HydrophobicContact CE-CE1 4.17Å; M245-F274 HydrophobicContact CE-CE2 4Å; M245-F274 HydrophobicContact CE-CZ 3.43Å; M245-F274 VanDerWaalsContact CE-CZ 3.43Å; M245-F274 HydrophobicContact CG-CE1 4.42Å; M245-F274 HydrophobicContact CG-CE2 4.46Å; M245-F274 HydrophobicContact CG-CZ 4.25Å |
| 246 | V | 97.8 | Very high | 91.9 | Very high | 81 Ų | 81 | 72.1 Ų | 72.1 | 49% | 0.491 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | -22.4 | -175.8 | -65.4 | 0 | 0 | 0 | 0 | 113.4 | F163 Q244 V273 | F163-V246 HydrophobicContact CE1-CG2 4.24Å; Q244-V246 PolarHBondContact O-N 2.94Å; V246-V273 HydrophobicContact CG2-CB 4.07Å; V246-V273 HydrophobicContact CG2-CG1 3.76Å; V246-V273 WeakPolarHBondContact CG2-O 3.25Å; V246-V273 PolarHBondContact N-O 3.45Å |
| 247 | A | 96.1 | Very high | 90.6 | Very high | 50 Ų | 50 | 71.1 Ų | 71.1 | 41% | 0.413 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.5 | 156.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | V273 | A247-V273 HydrophobicContact CB-CB 4.2Å; A247-V273 HydrophobicContact CB-CG2 4.34Å; A247-V273 PolarHBondContact O-N 2.89Å |
| 248 | C | 96.2 | Very high | 89.3 | Confident | 90 Ų | 90 | 74.2 Ų | 74.2 | 61% | 0.608 | 44% | 0.442 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 143.3 | 168 | 67.5 | 0 | 0 | 0 | 0 | 110.1 | E271 Y272 | C248-E271 WeakPolarHBondContact CA-O 3.47Å; C248-Y272 HydrophobicContact CB-CD1 3.76Å; C248-Y272 HydrophobicContact CB-CE1 4.14Å |
| 249 | N | 93.7 | Very high | 87.8 | Confident | 84 Ų | 84 | 83.5 Ų | 83.5 | 45% | 0.449 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 150.6 | 178.4 | 176.5 | 42.9 | 0 | 0 | 0 | 110.3 | T270 E271 | N249-T270 WeakPolarHBondContact O-CA 3.32Å; N249-E271 HydrophobicContact CB-CG 3.98Å; N249-E271 PolarHBondContact N-O 3.16Å; N249-E271 PolarHBondContact ND2-OE1 3.26Å; N249-E271 PolarHBondContact O-N 3.47Å |
| 250 | S | 92.2 | Very high | 86.2 | Confident | 71 Ų | 71 | 88.1 Ų | 88.1 | 50% | 0.497 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 121.9 | 173.6 | -167.7 | 0 | 0 | 0 | 0 | 109.8 | Y269 T270 | S250-Y269 CarbonylContact C-O 3.53Å; S250-Y269 WeakPolarHBondContact CA-O 3.34Å; S250-T270 PolarHBondContact OG-OG1 2.91Å |
| 251 | S | 89.3 | Confident | 84.6 | Confident | 47 Ų | 47 | 83.3 Ų | 83.3 | 33% | 0.329 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 154.3 | 178.1 | 59.1 | 0 | 0 | 0 | 0 | 110.7 | S268 Y269 | S251-S268 CarbonylContact O-C 3.45Å; S251-S268 VanDerWaalsContact O-CA 3.29Å; S251-S268 WeakPolarHBondContact O-CA 3.45Å; S251-Y269 PolarHBondContact N-O 3.2Å; S251-Y269 PolarHBondContact O-N 2.82Å; S251-Y269 PolarHBondContact OG-O 3.31Å |
| 252 | V | 87.9 | Confident | 83.3 | Confident | 89 Ų | 89 | 90.1 Ų | 90.1 | 54% | 0.539 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 131.5 | 175.7 | -179.2 | 0 | 0 | 0 | 0 | 108.3 | W266 S267 | V252-W266 HydrophobicContact CG1-CE3 3.78Å; V252-W266 HydrophobicContact CG1-CZ3 4.43Å; V252-S267 WeakPolarHBondContact CA-O 3.46Å |
| 253 | T | 82.9 | Confident | 82.2 | Confident | 69 Ų | 69 | 93 Ų | 93 | 42% | 0.423 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 137 | -179.3 | 55.2 | 0 | 0 | 0 | 0 | 109.8 | S267 | T253-S267 PolarHBondContact N-O 3.11Å; T253-S267 PolarHBondContact O-N 2.93Å; T253-S267 PolarHBondContact OG1-O 3.09Å |
| 254 | A | 81.1 | Confident | 80.9 | Confident | 48 Ų | 48 | 97.8 Ų | 97.8 | 40% | 0.397 | 53% | 0.533 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 140.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110 | K264 I265 W266 | A254-K264 HydrophobicContact CB-CD 4.5Å; A254-I265 CarbonylContact C-O 3.57Å; A254-I265 WeakPolarHBondContact CA-O 3.41Å; A254-W266 HydrophobicContact CB-CD2 4Å; A254-W266 HydrophobicContact CB-CE3 3.73Å; A254-W266 HydrophobicContact CB-CH2 3.99Å; A254-W266 HydrophobicContact CB-CZ2 4.21Å; A254-W266 HydrophobicContact CB-CZ3 3.74Å |
| 255 | S | 75.7 | Confident | 79.9 | Confident | 54 Ų | 54 | 95.2 Ų | 95.2 | 38% | 0.378 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 136.5 | 174 | -49.6 | 0 | 0 | 0 | 0 | 109.2 | I265 | S255-I265 PolarHBondContact N-O 2.8Å; S255-I265 PolarHBondContact O-N 2.86Å |
| 256 | F | 73.8 | Confident | 79 | Confident | 142 Ų | 142 | 96.3 Ų | 96.3 | 62% | 0.623 | 52% | 0.522 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 134.3 | 175.2 | -66 | -83 | 0 | 0 | 0 | 109.9 | K264 | F256-K264 HydrophobicContact CD1-CG 4.07Å; F256-K264 HydrophobicContact CE1-CD 4.28Å; F256-K264 HydrophobicContact CE1-CG 3.94Å |
| 257 | V | 68.7 | Low | 78.2 | Confident | 72 Ų | 72 | 93 Ų | 93 | 44% | 0.436 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -77.1 | -39.5 | -179.5 | -172.4 | 0 | 0 | 0 | 0 | 111.5 | D263 I265 | V257-D263 HydrophobicContact CG2-CB 4.35Å; V257-D263 PolarHBondContact N-O 2.8Å; V257-I265 HydrophobicContact CB-CD1 4.44Å; V257-I265 HydrophobicContact CG1-CD1 4.41Å; V257-I265 HydrophobicContact CG2-CB 4.31Å; V257-I265 HydrophobicContact CG2-CD1 3.33Å; V257-I265 HydrophobicContact CG2-CG1 3.37Å |
| 258 | N | 70.8 | Confident | 77.8 | Confident | 98 Ų | 98 | 91.6 Ų | 91.6 | 52% | 0.524 | 49% | 0.489 | S | S | . | . | trans | -139.6 | 153.4 | 179.6 | -80.2 | -37.9 | 0 | 0 | 0 | 110.2 | H260 | N258-H260 PolarHBondContact O-N 2.77Š| ||
| 259 | Q | 67.1 | Low | 77.5 | Confident | 195 Ų | 195 | 90 Ų | 90 | 91% | 0.911 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -12.9 | 171.8 | -87.2 | 176 | 4 | 0 | 0 | 113.4 | ||
| 260 | H | 62.1 | Low | 77.5 | Confident | 178 Ų | 178 | 86.5 Ų | 86.5 | 82% | 0.824 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.7 | -1.4 | -171.5 | -59.7 | -62.5 | 0 | 0 | 0 | 114.6 | N258 | N258-H260 PolarHBondContact O-N 2.77Š|
| 261 | T | 61.8 | Low | 77.7 | Confident | 58 Ų | 58 | 85.9 Ų | 85.9 | 36% | 0.356 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -129.2 | 144.5 | 175.3 | 64.9 | 0 | 0 | 0 | 0 | 110.4 | D263 | T261-D263 PolarHBondContact O-N 3.02Å; T261-D263 VanDerWaalsContact O-N 3.17Å; T261-D263 PolarHBondContact OG1-OD2 2.93Å |
| 262 | E | 65.9 | Low | 78.1 | Confident | 181 Ų | 181 | 84.7 Ų | 84.7 | 85% | 0.846 | 43% | 0.43 | S | S | * | . | trans | -77.6 | 11.1 | 178.7 | -63.3 | -166.3 | 153.6 | 0 | 0 | 113.5 | K264 | E262-K264 PolarHBondContact O-N 2.8Š| ||
| 263 | D | 72.3 | Confident | 78.6 | Confident | 105 Ų | 105 | 82 Ų | 82 | 56% | 0.561 | 42% | 0.415 | S | S | * | . | trans | -69.2 | 119 | -179.7 | -61.6 | -46.7 | 0 | 0 | 0 | 110.5 | V257 T261 | V257-D263 HydrophobicContact CG2-CB 4.35Å; V257-D263 PolarHBondContact N-O 2.8Å; T261-D263 PolarHBondContact O-N 3.02Å; T261-D263 VanDerWaalsContact O-N 3.17Å; T261-D263 PolarHBondContact OG1-OD2 2.93Å | ||
| 264 | K | 70.2 | Confident | 79.4 | Confident | 106 Ų | 106 | 79.1 Ų | 79.1 | 46% | 0.461 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 124 | 176.6 | -67.6 | 175.8 | -175.8 | 173.1 | 0 | 110.1 | A254 F256 E262 W266 | A254-K264 HydrophobicContact CB-CD 4.5Å; F256-K264 HydrophobicContact CD1-CG 4.07Å; F256-K264 HydrophobicContact CE1-CD 4.28Å; F256-K264 HydrophobicContact CE1-CG 3.94Å; E262-K264 PolarHBondContact O-N 2.8Å; K264-W266 HydrophobicContact CD-CZ2 4.33Å |
| 265 | I | 76.7 | Confident | 80.1 | Confident | 91 Ų | 91 | 79.7 Ų | 79.7 | 47% | 0.467 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 126.2 | 165.6 | -69.7 | 168.1 | 0 | 0 | 0 | 108.4 | A254 S255 V257 | A254-I265 CarbonylContact C-O 3.57Å; A254-I265 WeakPolarHBondContact CA-O 3.41Å; S255-I265 PolarHBondContact N-O 2.8Å; S255-I265 PolarHBondContact O-N 2.86Å; V257-I265 HydrophobicContact CB-CD1 4.44Å; V257-I265 HydrophobicContact CG1-CD1 4.41Å; V257-I265 HydrophobicContact CG2-CB 4.31Å; V257-I265 HydrophobicContact CG2-CD1 3.33Å; V257-I265 HydrophobicContact CG2-CG1 3.37Å |
| 266 | W | 77.4 | Confident | 81.1 | Confident | 114 Ų | 114 | 78.4 Ų | 78.4 | 43% | 0.432 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 126 | 176.4 | -61.6 | 86.1 | 0 | 0 | 0 | 110.1 | C172 V252 A254 K264 | C172-W266 HydrophobicContact CB-CB 4.12Å; C172-W266 PolarHBondContact N-O 2.9Å; C172-W266 VanDerWaalsContact N-O 3.11Å; V252-W266 HydrophobicContact CG1-CE3 3.78Å; V252-W266 HydrophobicContact CG1-CZ3 4.43Å; A254-W266 HydrophobicContact CB-CD2 4Å; A254-W266 HydrophobicContact CB-CE3 3.73Å; A254-W266 HydrophobicContact CB-CH2 3.99Å; A254-W266 HydrophobicContact CB-CZ2 4.21Å; A254-W266 HydrophobicContact CB-CZ3 3.74Å; K264-W266 HydrophobicContact CD-CZ2 4.33Å |
| 267 | S | 81.4 | Confident | 81.8 | Confident | 12 Ų | 12 | 73 Ų | 73 | 8% | 0.084 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 124.7 | 175.1 | -68.5 | 0 | 0 | 0 | 0 | 109.5 | R169 V252 T253 | R169-S267 PolarHBondContact NE-OG 3.21Å; R169-S267 PolarHBondContact NH2-OG 3.44Å; V252-S267 WeakPolarHBondContact CA-O 3.46Å; T253-S267 PolarHBondContact N-O 3.11Å; T253-S267 PolarHBondContact O-N 2.93Å; T253-S267 PolarHBondContact OG1-O 3.09Å |
| 268 | S | 87.4 | Confident | 82.4 | Confident | 19 Ų | 19 | 71.3 Ų | 71.3 | 13% | 0.133 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 147.1 | 167.2 | 66.6 | 0 | 0 | 0 | 0 | 110.2 | R169 G170 S251 | R169-S268 CarbonylContact C-O 3.57Å; R169-S268 VanDerWaalsContact CA-O 3.32Å; R169-S268 WeakPolarHBondContact CA-O 3.35Å; R169-S268 WeakPolarHBondContact CG-O 3.43Å; G170-S268 WeakPolarHBondContact CA-OG 3.25Å; G170-S268 PolarHBondContact N-O 3.38Å; G170-S268 PolarHBondContact O-N 3.05Å; G170-S268 PolarHBondContact O-OG 2.8Å; S251-S268 CarbonylContact O-C 3.45Å; S251-S268 VanDerWaalsContact O-CA 3.29Å; S251-S268 WeakPolarHBondContact O-CA 3.45Å |
| 269 | Y | 90.4 | Very high | 82 | Confident | 57 Ų | 57 | 70.5 Ų | 70.5 | 22% | 0.224 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 117.7 | 171.9 | -174.3 | -100.8 | 0 | 0 | 0 | 108.4 | R169 L191 S250 S251 E271 | R169-Y269 HydrophobicContact CB-CD2 4.38Å; L191-Y269 HydrophobicContact CD1-CE2 4.25Å; S250-Y269 CarbonylContact C-O 3.53Å; S250-Y269 WeakPolarHBondContact CA-O 3.34Å; S251-Y269 PolarHBondContact N-O 3.2Å; S251-Y269 PolarHBondContact O-N 2.82Å; S251-Y269 PolarHBondContact OG-O 3.31Å; Y269-E271 HydrophobicContact CE1-CB 3.95Å |
| 270 | T | 93.3 | Very high | 81.3 | Confident | 11 Ų | 11 | 69.6 Ų | 69.6 | 7% | 0.067 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 132.9 | 177.5 | -51.3 | 0 | 0 | 0 | 0 | 108.8 | G167 Y168 N249 S250 Y272 | G167-T270 CarbonylContact C-O 3.56Å; G167-T270 VanDerWaalsContact CA-O 3.25Å; G167-T270 WeakPolarHBondContact CA-O 3.32Å; Y168-T270 HydrophobicContact CE1-CG2 4.21Å; Y168-T270 PolarHBondContact N-O 2.98Å; Y168-T270 PolarHBondContact O-N 3.02Å; N249-T270 WeakPolarHBondContact O-CA 3.32Å; S250-T270 PolarHBondContact OG-OG1 2.91Å; T270-Y272 HydrophobicContact CG2-CE1 4.41Å; T270-Y272 HydrophobicContact CG2-CE2 4Å |
| 271 | E | 95.9 | Very high | 80.2 | Confident | 57 Ų | 57 | 72.8 Ų | 72.8 | 27% | 0.266 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 146.3 | -178.7 | 67 | -165.6 | 171.9 | 0 | 0 | 111.6 | T165 V166 C248 N249 Y269 | T165-E271 HydrophobicContact CG2-CB 3.99Å; V166-E271 CarbonylContact O-C 3.49Å; V166-E271 WeakPolarHBondContact O-CA 3.45Å; C248-E271 WeakPolarHBondContact CA-O 3.47Å; N249-E271 HydrophobicContact CB-CG 3.98Å; N249-E271 PolarHBondContact N-O 3.16Å; N249-E271 PolarHBondContact ND2-OE1 3.26Å; N249-E271 PolarHBondContact O-N 3.47Å; Y269-E271 HydrophobicContact CE1-CB 3.95Å |
| 272 | Y | 98.1 | Very high | 78.9 | Confident | 22 Ų | 22 | 75.3 Ų | 75.3 | 9% | 0.086 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 122.6 | 178.8 | -54.3 | -84.6 | 0 | 0 | 0 | 108 | T165 V166 Y168 R185 L231 F235 M245 C248 T270 | T165-Y272 CarbonylContact C-O 3.52Å; T165-Y272 WeakPolarHBondContact CA-O 3.38Å; V166-Y272 PolarHBondContact N-O 3.16Å; V166-Y272 WeakPolarHBondContact O-CD2 3.32Å; V166-Y272 PolarHBondContact O-N 3.37Å; Y168-Y272 HydrophobicContact CE1-CE2 4.42Å; R185-Y272 PolarHBondContact NH1-OH 3.35Å; R185-Y272 PolarHBondContact NH2-OH 2.71Å; L231-Y272 HydrophobicContact CD1-CE2 4.25Å; L231-Y272 HydrophobicContact CD2-CE2 4.45Å; F235-Y272 AromaticContact CE1-CD2 3.91Å; F235-Y272 HydrophobicContact CE1-CD2 3.91Å; F235-Y272 HydrophobicContact CE1-CE2 4.44Å; F235-Y272 HydrophobicContact CE1-CG 4.05Å; F235-Y272 HydrophobicContact CZ-CD1 4.14Å; F235-Y272 AromaticContact CZ-CD2 3.64Å; F235-Y272 HydrophobicContact CZ-CD2 3.64Å; F235-Y272 HydrophobicContact CZ-CE1 4.25Å; F235-Y272 AromaticContact CZ-CE2 3.76Å; F235-Y272 HydrophobicContact CZ-CE2 3.76Å; F235-Y272 AromaticContact CZ-CG 3.82Å; F235-Y272 HydrophobicContact CZ-CG 3.82Å; M245-Y272 HydrophobicContact CE-CD1 3.95Å; M245-Y272 HydrophobicContact CE-CG 4.38Å; M245-Y272 HydrophobicContact SD-CD1 4.01Å; C248-Y272 HydrophobicContact CB-CD1 3.76Å; C248-Y272 HydrophobicContact CB-CE1 4.14Å; T270-Y272 HydrophobicContact CG2-CE1 4.41Å; T270-Y272 HydrophobicContact CG2-CE2 4Å |
| 273 | V | 98.4 | Very high | 77.3 | Confident | 34 Ų | 34 | 71.8 Ų | 71.8 | 21% | 0.206 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 125.1 | -176.9 | -174.5 | 0 | 0 | 0 | 0 | 108.4 | F163 T165 M245 V246 A247 | F163-V273 HydrophobicContact CD1-CG1 3.77Å; F163-V273 HydrophobicContact CE1-CG1 4.32Å; T165-V273 HydrophobicContact CG2-CG2 4.29Å; M245-V273 WeakPolarHBondContact CA-O 3.44Å; V246-V273 HydrophobicContact CG2-CB 4.07Å; V246-V273 HydrophobicContact CG2-CG1 3.76Å; V246-V273 WeakPolarHBondContact CG2-O 3.25Å; V246-V273 PolarHBondContact N-O 3.45Å; A247-V273 HydrophobicContact CB-CB 4.2Å; A247-V273 HydrophobicContact CB-CG2 4.34Å; A247-V273 PolarHBondContact O-N 2.89Å |
| 274 | F | 98.5 | Very high | 75.5 | Confident | 7 Ų | 7 | 72 Ų | 72 | 3% | 0.031 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 140.1 | 178.6 | -73.9 | -97.2 | 0 | 0 | 0 | 110.1 | F163 I164 V166 F235 L238 F243 Q244 M245 | F163-F274 CarbonylContact C-O 3.5Å; F163-F274 VanDerWaalsContact CA-O 3.24Å; F163-F274 WeakPolarHBondContact CA-O 3.37Å; I164-F274 PolarHBondContact N-O 2.87Å; I164-F274 WeakPolarHBondContact O-CA 3.43Å; I164-F274 WeakPolarHBondContact O-CB 3.31Å; I164-F274 PolarHBondContact O-N 2.81Å; V166-F274 HydrophobicContact CB-CE2 4.48Å; V166-F274 HydrophobicContact CG2-CD2 4.14Å; V166-F274 HydrophobicContact CG2-CE2 4.09Å; F235-F274 HydrophobicContact CB-CZ 4.19Å; F235-F274 HydrophobicContact CD1-CE1 4.48Å; F235-F274 AromaticContact CD1-CE2 3.71Å; F235-F274 HydrophobicContact CD1-CE2 3.71Å; F235-F274 AromaticContact CD1-CZ 3.36Å; F235-F274 HydrophobicContact CD1-CZ 3.36Å; F235-F274 AromaticContact CE1-CE2 3.85Å; F235-F274 HydrophobicContact CE1-CE2 3.85Å; F235-F274 AromaticContact CE1-CZ 3.89Å; F235-F274 HydrophobicContact CE1-CZ 3.89Å; F235-F274 AromaticContact CG-CZ 3.91Å; F235-F274 HydrophobicContact CG-CZ 3.91Å; L238-F274 HydrophobicContact CB-CD1 4.06Å; L238-F274 HydrophobicContact CB-CE1 4.21Å; L238-F274 HydrophobicContact CD1-CB 4.41Å; L238-F274 HydrophobicContact CD1-CD1 4.04Å; L238-F274 HydrophobicContact CD1-CD2 3.69Å; L238-F274 HydrophobicContact CD1-CE1 4.17Å; L238-F274 HydrophobicContact CD1-CE2 3.83Å; L238-F274 HydrophobicContact CD1-CG 3.79Å; L238-F274 HydrophobicContact CD1-CZ 4.07Å; F243-F274 HydrophobicContact CB-CB 4.1Å; F243-F274 HydrophobicContact CB-CD1 4.22Å; F243-F274 HydrophobicContact CD1-CB 4.09Å; Q244-F274 CarbonylContact O-C 3.52Å; Q244-F274 VanDerWaalsContact O-CA 3.24Å; Q244-F274 WeakPolarHBondContact O-CA 3.33Å; M245-F274 HydrophobicContact CB-CD1 4.1Å; M245-F274 HydrophobicContact CB-CE1 3.77Å; M245-F274 HydrophobicContact CB-CZ 4.06Å; M245-F274 HydrophobicContact CE-CE1 4.17Å; M245-F274 HydrophobicContact CE-CE2 4Å; M245-F274 HydrophobicContact CE-CZ 3.43Å; M245-F274 VanDerWaalsContact CE-CZ 3.43Å; M245-F274 HydrophobicContact CG-CE1 4.42Å; M245-F274 HydrophobicContact CG-CE2 4.46Å; M245-F274 HydrophobicContact CG-CZ 4.25Å |
| 275 | Y | 97.4 | Very high | 73.8 | Confident | 60 Ų | 60 | 72.3 Ų | 72.3 | 24% | 0.235 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 137.2 | 178.3 | 178.4 | -112.6 | 0 | 0 | 0 | 111 | G162 F163 F243 Q244 | G162-Y275 WeakPolarHBondContact O-CD2 3.48Å; F163-Y275 AromaticContact CD1-CD2 3.88Å; F163-Y275 HydrophobicContact CD1-CD2 3.88Å; F163-Y275 HydrophobicContact CD1-CG 4.29Å; F163-Y275 AromaticContact CD2-CD2 3.81Å; F163-Y275 HydrophobicContact CD2-CD2 3.81Å; F163-Y275 HydrophobicContact CD2-CE2 4.25Å; F163-Y275 AromaticContact CE1-CD2 3.61Å; F163-Y275 HydrophobicContact CE1-CD2 3.61Å; F163-Y275 AromaticContact CE1-CG 3.88Å; F163-Y275 HydrophobicContact CE1-CG 3.88Å; F163-Y275 AromaticContact CE2-CD2 3.52Å; F163-Y275 HydrophobicContact CE2-CD2 3.52Å; F163-Y275 AromaticContact CE2-CE2 3.76Å; F163-Y275 HydrophobicContact CE2-CE2 3.76Å; F163-Y275 AromaticContact CG-CD2 3.98Å; F163-Y275 HydrophobicContact CG-CD2 3.98Å; F163-Y275 AromaticContact CZ-CD2 3.42Å; F163-Y275 HydrophobicContact CZ-CD2 3.42Å; F163-Y275 VanDerWaalsContact CZ-CD2 3.42Å; F163-Y275 AromaticContact CZ-CE2 3.94Å; F163-Y275 HydrophobicContact CZ-CE2 3.94Å; F163-Y275 AromaticContact CZ-CG 3.99Å; F163-Y275 HydrophobicContact CZ-CG 3.99Å; F243-Y275 WeakPolarHBondContact CA-O 3.42Å; Q244-Y275 PolarHBondContact N-O 2.85Å; Q244-Y275 PolarHBondContact O-N 3.02Å |
| 276 | R | 95.8 | Very high | 71.5 | Confident | 28 Ų | 28 | 73.5 Ų | 73.5 | 11% | 0.106 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 121.5 | 167.1 | -176.2 | 168 | 73.1 | 178.6 | 2.7 | 109 | K160 S161 G162 E201 C241 G242 F243 | K160-R276 PolarHBondContact O-NE 2.86Å; K160-R276 PolarHBondContact O-NH2 2.96Å; S161-R276 CarbonylContact C-O 3.59Å; S161-R276 WeakPolarHBondContact CA-O 3.26Å; S161-R276 WeakPolarHBondContact CB-O 3.32Å; G162-R276 PolarHBondContact N-O 3.04Å; G162-R276 PolarHBondContact O-N 3.47Å; E201-R276 IonicContact OE1-CZ 3.14Å; E201-R276 VanDerWaalsContact OE1-CZ 3.24Å; E201-R276 IonicContact OE1-NH1 3.7Å; E201-R276 PolarHBondContact OE1-NH1 2.95Å; E201-R276 IonicContact OE1-NH2 2.81Å; E201-R276 PolarHBondContact OE1-NH2 3.1Å; E201-R276 IonicContact OE2-CZ 3.61Å; E201-R276 IonicContact OE2-NH2 2.75Å; E201-R276 PolarHBondContact OE2-NH2 3.28Å; C241-R276 WeakPolarHBondContact O-CD 3.49Å; C241-R276 PolarHBondContact O-NH1 2.94Å; G242-R276 WeakPolarHBondContact O-CG 3.45Å; F243-R276 HydrophobicContact CD1-CB 3.63Å; F243-R276 HydrophobicContact CD2-CB 3.95Å; F243-R276 HydrophobicContact CE1-CB 3.62Å; F243-R276 HydrophobicContact CE2-CB 3.94Å; F243-R276 HydrophobicContact CG-CB 3.79Å; F243-R276 HydrophobicContact CZ-CB 3.77Å |
| 277 | G | 88.4 | Confident | 69.5 | Low | 28 Ų | 28 | 75.6 Ų | 75.6 | 29% | 0.289 | 42% | 0.415 | S | S | . | . | trans | -69.7 | 160.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | S279 | G277-S279 PolarHBondContact O-N 2.84Š| ||
| 278 | P | 80.4 | Confident | 67.1 | Low | 36 Ų | 36 | 80.1 Ų | 80.1 | 23% | 0.234 | 45% | 0.445 | C | S | . | . | trans | -52.8 | 129.3 | 163.1 | -17.4 | 26.3 | 0 | 0 | 0 | 109.9 | H97 S161 R280 | H97-P278 WeakPolarHBondContact CE1-CD 3.33Å; S161-P278 VanDerWaalsContact CB-N 3.31Å; P278-R280 PolarHBondContact O-N 3.11Å | ||
| 279 | S | 63.6 | Low | 64.5 | Low | 82 Ų | 82 | 84.9 Ų | 84.9 | 57% | 0.573 | 48% | 0.478 | S | S | * | . | trans | -63.9 | 99.1 | 176.6 | 58.3 | 0 | 0 | 0 | 0 | 109.9 | G277 | G277-S279 PolarHBondContact O-N 2.84Š| ||
| 280 | R | 51.9 | Low | 61.8 | Low | 175 Ų | 175 | 88.7 Ų | 88.7 | 66% | 0.66 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -105.5 | 96 | 157.6 | -68.9 | -170 | -161.2 | -163 | 6.3 | 106.2 | D96 P278 | D96-R280 IonicContact OD1-NH1 2.63Å; P278-R280 PolarHBondContact O-N 3.11Å |
| 281 | W | 38.2 | Very low | 58.9 | Low | 246 Ų | 246 | 97.7 Ų | 97.7 | 93% | 0.932 | 55% | 0.549 | S | S | * | . | S | Bend | trans | 64.6 | 129.7 | -178.7 | -95.1 | -77.7 | 0 | 0 | 0 | 116.6 | S283 | W281-S283 PolarHBondContact O-N 2.88Š|
| 282 | S | 36.5 | Very low | 55.9 | Low | 111 Ų | 111 | 102.7 Ų | 102.7 | 78% | 0.776 | 58% | 0.578 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 125.4 | 158.3 | -38.9 | 0 | 0 | 0 | 0 | 108.3 | ||
| 283 | S | 32.2 | Very low | 52.8 | Low | 106 Ų | 106 | 110.4 Ų | 110.4 | 74% | 0.741 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 142.2 | 160.4 | -50.7 | 0 | 0 | 0 | 0 | 108.2 | W281 | W281-S283 PolarHBondContact O-N 2.88Š|
| 284 | P | 32.8 | Very low | 49.9 | Very low | 111 Ų | 111 | 119 Ų | 119 | 72% | 0.721 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 146.3 | 167.9 | 26 | -30.2 | 0 | 0 | 0 | 108.1 | C286 | P284-C286 PolarHBondContact O-N 2.73Š|
| 285 | P | 34.3 | Very low | 46.8 | Very low | 111 Ų | 111 | 122.2 Ų | 122.2 | 72% | 0.721 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 134.9 | 176.6 | 23.6 | -30.1 | 0 | 0 | 0 | 108.2 | D287 | P285-D287 PolarHBondContact O-N 2.89Š|
| 286 | C | 30 | Very low | 43.9 | Very low | 117 Ų | 117 | 127.9 Ų | 127.9 | 79% | 0.791 | 72% | 0.718 | S | S | * | * | trans | -60.8 | 104.2 | 168.4 | 52.4 | 0 | 0 | 0 | 0 | 107.6 | P284 C288 | P284-C286 PolarHBondContact O-N 2.73Å; C286-C288 PolarHBondContact O-N 3.11Å | ||
| 287 | D | 33.9 | Very low | 40.9 | Very low | 157 Ų | 157 | 130.2 Ų | 130.2 | 84% | 0.84 | 75% | 0.751 | S | S | * | * | trans | -72.1 | 73.9 | 163.2 | -85.5 | -30.6 | 0 | 0 | 0 | 107.9 | P285 | P285-D287 PolarHBondContact O-N 2.89Š| ||
| 288 | C | 31.7 | Very low | 38.2 | Very low | 107 Ų | 107 | 138.9 Ų | 138.9 | 72% | 0.723 | 78% | 0.784 | S | S | * | * | trans | -127.8 | 86.4 | 163 | -84 | 0 | 0 | 0 | 0 | 108.6 | C286 | C286-C288 PolarHBondContact O-N 3.11Š| ||
| 289 | C | 33.5 | Very low | 35.9 | Very low | 120 Ų | 120 | 140.8 Ų | 140.8 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | trans | 75.7 | 70.4 | 142.5 | -57.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 290 | C | 33.4 | Very low | 34.4 | Very low | 136 Ų | 136 | 145.8 Ų | 145.8 | 92% | 0.919 | 83% | 0.825 | S | S | * | * | trans | -127.8 | 77.4 | 143.6 | -71.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 291 | K | 32.1 | Very low | 33.4 | Very low | 201 Ų | 201 | 143.2 Ų | 143.2 | 87% | 0.874 | 83% | 0.834 | S | S | * | * | trans | -121.5 | 100.4 | 158.3 | -81.7 | -171.3 | 176.9 | 177.9 | 0 | 108.9 | H293 | K291-H293 PolarHBondContact O-N 3.42Š| ||
| 292 | N | 33.3 | Very low | 33 | Very low | 161 Ų | 161 | 135 Ų | 135 | 86% | 0.861 | 83% | 0.826 | S | S | * | * | trans | -65.4 | 118.8 | 153.3 | -85.8 | -28.9 | 0 | 0 | 0 | 107.8 | ||||
| 293 | H | 32.4 | Very low | 32.7 | Very low | 185 Ų | 185 | 137.1 Ų | 137.1 | 86% | 0.856 | 83% | 0.834 | S | S | * | * | trans | -148.9 | 125.8 | 144.6 | -97.2 | -72.6 | 0 | 0 | 0 | 109.3 | K291 | K291-H293 PolarHBondContact O-N 3.42Š| ||
| 294 | K | 38.4 | Very low | 32.7 | Very low | 214 Ų | 214 | 137.8 Ų | 137.8 | 93% | 0.93 | 84% | 0.838 | S | S | * | * | trans | -51.7 | 140.3 | 160.3 | -84.8 | 176.9 | 165.5 | -179 | 0 | 110.1 | ||||
| 295 | G | 31.9 | Very low | 32.7 | Very low | 74 Ų | 74 | 140.2 Ų | 140.2 | 76% | 0.763 | 84% | 0.838 | S | S | * | * | trans | 165.2 | 104.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 296 | D | 37 | Very low | 32.5 | Very low | 179 Ų | 179 | 141.8 Ų | 141.8 | 96% | 0.957 | 84% | 0.84 | S | S | * | * | trans | -57.9 | 147.8 | 169.7 | -62 | -57.7 | 0 | 0 | 0 | 111.4 | ||||
| 297 | G | 32.2 | Very low | 32.7 | Very low | 77 Ų | 77 | 142.4 Ų | 142.4 | 79% | 0.794 | 83% | 0.831 | S | S | * | * | trans | 160.1 | 102 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 298 | E | 32.9 | Very low | 32.6 | Very low | 210 Ų | 210 | 142 Ų | 142 | 98% | 0.981 | 83% | 0.829 | S | S | * | * | trans | -54.5 | 147.8 | 166.6 | -62.5 | 167.5 | 130.4 | 0 | 0 | 111.9 | ||||
| 299 | G | 31.7 | Very low | 32.5 | Very low | 77 Ų | 77 | 141.9 Ų | 141.9 | 79% | 0.794 | 83% | 0.829 | S | S | * | * | trans | 173.4 | 112.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 300 | E | 31.3 | Very low | 32.4 | Very low | 187 Ų | 187 | 143 Ų | 143 | 87% | 0.874 | 83% | 0.832 | S | S | * | * | trans | -72.4 | 161.6 | -170.4 | -60.7 | 167.4 | 112.4 | 0 | 0 | 115.5 | ||||
| 301 | S | 32.3 | Very low | 32.1 | Very low | 121 Ų | 121 | 142.1 Ų | 142.1 | 85% | 0.846 | 83% | 0.828 | S | S | * | * | trans | 77.5 | 132.5 | 141.3 | -63.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 302 | G | 29.2 | Very low | 32 | Very low | 74 Ų | 74 | 137.9 Ų | 137.9 | 76% | 0.763 | 82% | 0.823 | S | S | * | * | trans | 136.6 | 59.8 | 141.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | S304 | G302-S304 PolarHBondContact O-N 2.85Š| ||
| 303 | T | 29.8 | Very low | 31.8 | Very low | 155 Ų | 155 | 135.9 Ų | 135.9 | 95% | 0.951 | 82% | 0.822 | S | S | * | * | trans | -84.9 | 101.1 | 162.5 | 55.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 304 | S | 32.5 | Very low | 31.7 | Very low | 120 Ų | 120 | 135.7 Ų | 135.7 | 84% | 0.839 | 82% | 0.821 | S | S | * | * | trans | -96.3 | 141.3 | 166.8 | 59.9 | 0 | 0 | 0 | 0 | 111.4 | G302 | G302-S304 PolarHBondContact O-N 2.85Š| ||
| 305 | F | 32.1 | Very low | 31.3 | Very low | 162 Ų | 162 | 131.4 Ų | 131.4 | 71% | 0.711 | 82% | 0.818 | S | S | * | * | trans | -75.4 | 148.2 | -172 | -157.3 | -104.8 | 0 | 0 | 0 | 113.7 | E307 | F305-E307 HydrophobicContact CD1-CG 3.81Å; F305-E307 HydrophobicContact CE1-CG 3.36Å; F305-E307 WeakPolarHBondContact CE1-OE1 3.37Å; F305-E307 HydrophobicContact CZ-CG 4.23Å | ||
| 306 | N | 30.5 | Very low | 31.2 | Very low | 143 Ų | 143 | 136.1 Ų | 136.1 | 77% | 0.765 | 82% | 0.821 | S | S | * | * | trans | 165.4 | 114.6 | 135 | -94.6 | 10.1 | 0 | 0 | 0 | 108.7 | ||||
| 307 | E | 35.5 | Very low | 31 | Very low | 130 Ų | 130 | 133.5 Ų | 133.5 | 61% | 0.607 | 82% | 0.816 | S | S | * | * | 97.5 | 136.8 | 61.9 | -85.3 | -87.4 | 143.8 | 0 | 0 | 112.1 | F305 | F305-E307 HydrophobicContact CD1-CG 3.81Å; F305-E307 HydrophobicContact CE1-CG 3.36Å; F305-E307 WeakPolarHBondContact CE1-OE1 3.37Å; F305-E307 HydrophobicContact CZ-CG 4.23Å | |||
| 308 | L | 30.9 | Very low | 30.9 | Very low | 150 Ų | 150 | 137.9 Ų | 137.9 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | trans | 82.5 | 133.9 | 169.3 | -46.5 | -179.9 | 0 | 0 | 0 | 117.3 | ||||
| 309 | S | 30.6 | Very low | 30.7 | Very low | 103 Ų | 103 | 134.1 Ų | 134.1 | 72% | 0.72 | 81% | 0.807 | S | S | * | * | cis | -169.4 | 137 | -6.4 | -85.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 310 | T | 30 | Very low | 30.5 | Very low | 143 Ų | 143 | 135.6 Ų | 135.6 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | trans | -116.1 | 108.1 | 165.1 | 46.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 311 | S | 28.4 | Very low | 30.6 | Very low | 119 Ų | 119 | 131.7 Ų | 131.7 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | trans | -86.6 | 124.1 | 172.3 | 66 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 312 | S | 29.9 | Very low | 31 | Very low | 111 Ų | 111 | 131.4 Ų | 131.4 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | -85.2 | 145.3 | 167.5 | -56 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 313 | S | 28.8 | Very low | 31.1 | Very low | 119 Ų | 119 | 136.5 Ų | 136.5 | 83% | 0.832 | 80% | 0.798 | S | S | * | * | trans | -130.3 | 110.6 | 161.6 | -62.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 314 | E | 29.4 | Very low | 31.1 | Very low | 181 Ų | 181 | 132.7 Ų | 132.7 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | -84.3 | 142.1 | 166.7 | -66.5 | 178.5 | 101 | 0 | 0 | 109.6 | ||||
| 315 | S | 30.6 | Very low | 31 | Very low | 124 Ų | 124 | 133.9 Ų | 133.9 | 87% | 0.867 | 79% | 0.792 | S | S | * | * | trans | -126.5 | 112.7 | 165.1 | -66.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 316 | Q | 30 | Very low | 31 | Very low | 174 Ų | 174 | 132.1 Ų | 132.1 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | trans | -81.8 | 143 | 169.1 | -63.9 | -176.2 | -6.3 | 0 | 0 | 110.1 | ||||
| 317 | S | 32.2 | Very low | 31 | Very low | 123 Ų | 123 | 133.2 Ų | 133.2 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | trans | -145.8 | 121.5 | 152.6 | 44.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 318 | E | 30 | Very low | 30.7 | Very low | 170 Ų | 170 | 138 Ų | 138 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | trans | -92.8 | 165 | 173.3 | -70.4 | -163.8 | 112 | 0 | 0 | 112 | ||||
| 319 | T | 29.3 | Very low | 30.5 | Very low | 130 Ų | 130 | 134.2 Ų | 134.2 | 80% | 0.798 | 81% | 0.809 | S | S | * | * | trans | 80.2 | 143.9 | 162.7 | 82.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 320 | S | 28.3 | Very low | 31.1 | Very low | 108 Ų | 108 | 135.1 Ų | 135.1 | 76% | 0.755 | 81% | 0.812 | S | S | * | * | cis | -167.5 | 157.2 | 5.8 | 31.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 321 | S | 32.6 | Very low | 30.9 | Very low | 106 Ų | 106 | 134.7 Ų | 134.7 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | trans | -76.7 | 155.7 | 171.4 | -171.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 322 | P | 41.2 | Very low | 30.9 | Very low | 114 Ų | 114 | 134.5 Ų | 134.5 | 74% | 0.74 | 81% | 0.808 | S | S | * | * | -140.6 | 136.5 | 116.1 | 31.3 | -14.6 | 0 | 0 | 0 | 115.4 | |||||
| 323 | Q | 30.3 | Very low | 30.8 | Very low | 182 Ų | 182 | 140.4 Ų | 140.4 | 85% | 0.85 | 81% | 0.813 | S | S | * | * | trans | 25.5 | 133.1 | 130.4 | -66.6 | 155.5 | -5.8 | 0 | 0 | 120.2 | ||||
| 324 | G | 30.3 | Very low | 30.6 | Very low | 75 Ų | 75 | 143.6 Ų | 143.6 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | trans | -78.7 | 174.4 | -170.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 325 | T | 31.2 | Very low | 30.4 | Very low | 144 Ų | 144 | 138.9 Ų | 138.9 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | trans | -152.4 | 132.9 | 161.8 | -31.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 326 | V | 31.6 | Very low | 30.3 | Very low | 125 Ų | 125 | 141.2 Ų | 141.2 | 76% | 0.758 | 80% | 0.798 | S | S | * | * | trans | -70.9 | 137.9 | -179.7 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 327 | I | 29.8 | Very low | 30.5 | Very low | 166 Ų | 166 | 137.5 Ų | 137.5 | 85% | 0.851 | 79% | 0.79 | S | S | * | * | trans | -136.8 | 118.5 | 159 | -61.9 | -173.2 | 0 | 0 | 0 | 111.1 | ||||
| 328 | R | 28.7 | Very low | 30.2 | Very low | 230 Ų | 230 | 140.2 Ų | 140.2 | 87% | 0.868 | 79% | 0.788 | S | S | * | * | trans | -67.5 | 146.1 | 163.7 | -76.7 | -178.8 | 161.9 | -178.1 | -4.2 | 110.3 | ||||
| 329 | G | 27.3 | Very low | 30.2 | Very low | 72 Ų | 72 | 137 Ų | 137 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | trans | -73.5 | -155.8 | 167 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 330 | P | 43.5 | Very low | 30.1 | Very low | 122 Ų | 122 | 140.2 Ų | 140.2 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | cis | -119 | -174 | -24.8 | 35.2 | -17.3 | 0 | 0 | 0 | 111 | ||||
| 331 | V | 26.5 | Very low | 30.3 | Very low | 134 Ų | 134 | 141.6 Ų | 141.6 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | trans | 159.5 | 128.6 | 134.8 | 164 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 332 | S | 27.7 | Very low | 30.2 | Very low | 115 Ų | 115 | 145.1 Ų | 145.1 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | 58.9 | 126.9 | 150 | -142.9 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 333 | R | 27.3 | Very low | 29.9 | Very low | 235 Ų | 235 | 145.7 Ų | 145.7 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | trans | -72.7 | 156 | 160 | -71.1 | 172.3 | 164.5 | 175.9 | -5.1 | 112.4 | ||||
| 334 | Q | 25.9 | Very low | 29.9 | Very low | 185 Ų | 185 | 145.8 Ų | 145.8 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | trans | -161.6 | 106.6 | 136.1 | -98.7 | 175.8 | -3.5 | 0 | 0 | 106.6 | ||||
| 335 | S | 25 | Very low | 29.8 | Very low | 83 Ų | 83 | 149.8 Ų | 149.8 | 58% | 0.58 | 81% | 0.812 | S | S | * | * | 62.8 | 105.6 | 83.6 | 70.6 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 336 | H | 28.4 | Very low | 29.8 | Very low | 172 Ų | 172 | 154.2 Ų | 154.2 | 80% | 0.796 | 81% | 0.813 | S | S | * | * | 171.2 | -176 | 78 | -90.9 | -57.9 | 0 | 0 | 0 | 109.8 | |||||
| 337 | P | 33.4 | Very low | 30.1 | Very low | 97 Ų | 97 | 153.8 Ų | 153.8 | 63% | 0.63 | 81% | 0.813 | S | S | * | * | -132.1 | -172.7 | -83.3 | 33.7 | -9.6 | 0 | 0 | 0 | 114 | |||||
| 338 | H | 26.8 | Very low | 30.3 | Very low | 180 Ų | 180 | 151.9 Ų | 151.9 | 83% | 0.833 | 81% | 0.811 | S | S | * | * | trans | 97.1 | 93.9 | 166.9 | -62.6 | -79.4 | 0 | 0 | 0 | 118.4 | ||||
| 339 | A | 28.1 | Very low | 30.5 | Very low | 102 Ų | 102 | 150.6 Ų | 150.6 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | -174.5 | 135.5 | 104.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 340 | K | 28.7 | Very low | 30.6 | Very low | 197 Ų | 197 | 157.2 Ų | 157.2 | 86% | 0.857 | 82% | 0.82 | S | S | * | * | trans | -75.8 | 136.6 | -171 | -68.4 | 166.5 | 173.6 | 175.3 | 0 | 111.7 | ||||
| 341 | V | 31.7 | Very low | 30.1 | Very low | 138 Ų | 138 | 154.9 Ų | 154.9 | 84% | 0.836 | 82% | 0.818 | S | S | * | * | trans | -120.2 | 118.4 | 150.5 | 176.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 342 | Q | 31 | Very low | 30.7 | Very low | 180 Ų | 180 | 154.4 Ų | 154.4 | 84% | 0.841 | 82% | 0.818 | S | S | * | * | trans | -76.6 | 118.7 | 176.4 | -77.6 | 166.9 | -22.6 | 0 | 0 | 109.8 | ||||
| 343 | T | 33.7 | Very low | 30.6 | Very low | 126 Ų | 126 | 155.5 Ų | 155.5 | 77% | 0.773 | 82% | 0.82 | S | S | * | * | trans | -115.7 | 121.3 | 154.3 | 41.5 | 0 | 0 | 0 | 0 | 107.7 | D345 | T343-D345 PolarHBondContact O-N 3.11Š| ||
| 344 | L | 30.4 | Very low | 30.6 | Very low | 183 Ų | 183 | 149.2 Ų | 149.2 | 96% | 0.958 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 127.1 | -177.3 | -79.7 | 157.3 | 0 | 0 | 0 | 111.9 | ||
| 345 | D | 28.9 | Very low | 30.8 | Very low | 159 Ų | 159 | 149.4 Ų | 149.4 | 85% | 0.85 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 142.8 | 173.7 | -81.5 | -63.6 | 0 | 0 | 0 | 113.2 | T343 | T343-D345 PolarHBondContact O-N 3.11Š|
| 346 | R | 32.1 | Very low | 31 | Very low | 237 Ų | 237 | 152.9 Ų | 152.9 | 89% | 0.894 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -103.9 | 123.1 | 163.3 | -166.5 | 179 | -164 | 167.4 | 5 | 107.1 | ||
| 347 | P | 37.5 | Very low | 31.1 | Very low | 116 Ų | 116 | 153.4 Ų | 153.4 | 75% | 0.753 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 150 | -178 | 28.4 | -31 | 0 | 0 | 0 | 112.5 | ||
| 348 | P | 33.7 | Very low | 30.8 | Very low | 127 Ų | 127 | 157.4 Ų | 157.4 | 83% | 0.825 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 161.8 | -177.3 | 34.7 | -34.6 | 0 | 0 | 0 | 114.1 | ||
| 349 | K | 32.5 | Very low | 30.8 | Very low | 203 Ų | 203 | 153.3 Ų | 153.3 | 88% | 0.883 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 138.9 | 175 | -67 | 177.5 | 174.5 | -179.6 | 0 | 112.9 | ||
| 350 | K | 30.8 | Very low | 30.8 | Very low | 211 Ų | 211 | 154.4 Ų | 154.4 | 92% | 0.917 | 82% | 0.822 | S | S | * | * | trans | -147.7 | 120.4 | 147.5 | -69.6 | -170.5 | 179.8 | 178.8 | 0 | 107.4 | ||||
| 351 | G | 31.7 | Very low | 30.8 | Very low | 72 Ų | 72 | 151.8 Ų | 151.8 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | 119.9 | 157.7 | 101.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 352 | P | 39.4 | Very low | 30.6 | Very low | 125 Ų | 125 | 155.5 Ų | 155.5 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | trans | -101.7 | 173.8 | -144.5 | 35.9 | -29.9 | 0 | 0 | 0 | 116.6 | ||||
| 353 | V | 26.7 | Very low | 30.7 | Very low | 138 Ų | 138 | 158.5 Ų | 158.5 | 84% | 0.836 | 82% | 0.815 | S | S | * | * | trans | 96.7 | 112 | 158.5 | -166.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 354 | S | 27.3 | Very low | 30.5 | Very low | 102 Ų | 102 | 161.9 Ų | 161.9 | 71% | 0.713 | 82% | 0.819 | S | S | * | * | -176.3 | 138.3 | 102.5 | 70.7 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 355 | M | 29.6 | Very low | 30.5 | Very low | 189 Ų | 189 | 158.9 Ų | 158.9 | 93% | 0.931 | 81% | 0.813 | S | S | * | * | trans | -67.9 | 132.8 | 163.7 | -77.7 | -147.3 | -76.8 | 0 | 0 | 108.9 | ||||
| 356 | I | 28.8 | Very low | 30.6 | Very low | 157 Ų | 157 | 158.8 Ų | 158.8 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | trans | -142.2 | 125.8 | 150.2 | -109.3 | 156.4 | 0 | 0 | 0 | 109.4 | ||||
| 357 | Q | 29.6 | Very low | 30.5 | Very low | 182 Ų | 182 | 155 Ų | 155 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | trans | -86.4 | 129.9 | 177.4 | 178.5 | 163.2 | 15 | 0 | 0 | 108.1 | ||||
| 358 | Q | 28.2 | Very low | 30.2 | Very low | 182 Ų | 182 | 156.5 Ų | 156.5 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | trans | -151.2 | 110.3 | 155.4 | -109.6 | 169.6 | 18.7 | 0 | 0 | 110.3 | ||||
| 359 | S | 27.3 | Very low | 30.1 | Very low | 93 Ų | 93 | 162.5 Ų | 162.5 | 65% | 0.65 | 82% | 0.817 | S | S | * | * | trans | -45.7 | 156.7 | 148.2 | 48.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 360 | D | 27.4 | Very low | 30 | Very low | 126 Ų | 126 | 158 Ų | 158 | 67% | 0.674 | 81% | 0.806 | S | S | * | * | cis | -172.5 | 152.6 | 37.8 | -128.4 | -37.9 | 0 | 0 | 0 | 109.4 | ||||
| 361 | Q | 27.6 | Very low | 29.8 | Very low | 141 Ų | 141 | 155.3 Ų | 155.3 | 66% | 0.659 | 80% | 0.801 | S | S | * | * | trans | 69.3 | 121.7 | 140.2 | -83.4 | 170 | 56.5 | 0 | 0 | 125 | ||||
| 362 | R | 27.6 | Very low | 29.6 | Very low | 216 Ų | 216 | 159 Ų | 159 | 82% | 0.815 | 81% | 0.809 | S | S | * | * | 85.2 | 110.2 | 128.1 | -110.3 | 171.6 | 174.4 | 176 | -0.9 | 119.3 | |||||
| 363 | R | 33.3 | Very low | 29.2 | Very low | 244 Ų | 244 | 157.5 Ų | 157.5 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | -172.4 | 138.8 | 87.9 | -97.9 | 176.5 | 179.8 | 166.3 | 0.9 | 112.2 | |||||
| 364 | K | 31.1 | Very low | 29.3 | Very low | 196 Ų | 196 | 156.6 Ų | 156.6 | 85% | 0.852 | 81% | 0.808 | S | S | * | * | trans | -66.4 | 154.1 | -176.9 | -67.7 | 173.8 | 168.1 | -179.7 | 0 | 113.3 | ||||
| 365 | S | 30.3 | Very low | 29.4 | Very low | 121 Ų | 121 | 156.8 Ų | 156.8 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | -160.9 | 97.5 | 115.3 | 41.8 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 366 | D | 29.4 | Very low | 29.7 | Very low | 156 Ų | 156 | 159 Ų | 159 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | trans | -72.5 | 131.9 | 152.3 | -77.6 | -60.2 | 0 | 0 | 0 | 108.2 | ||||
| 367 | L | 29.9 | Very low | 29.8 | Very low | 159 Ų | 159 | 159 Ų | 159 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | trans | -144.4 | 128.2 | 155.8 | -152 | 78.4 | 0 | 0 | 0 | 109.1 | ||||
| 368 | L | 31.1 | Very low | 30.1 | Very low | 147 Ų | 147 | 156.8 Ų | 156.8 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | trans | 88.7 | 75.4 | 167.6 | -61.6 | 154.9 | 0 | 0 | 0 | 117.9 | ||||
| 369 | R | 32.5 | Very low | 30.3 | Very low | 253 Ų | 253 | 153.9 Ų | 153.9 | 96% | 0.955 | 81% | 0.807 | S | S | * | * | trans | -111.7 | 110.4 | 133 | -105.9 | -172.4 | -168.4 | 145 | 3.4 | 108.2 | ||||
| 370 | T | 29.6 | Very low | 31 | Very low | 107 Ų | 107 | 153.5 Ų | 153.5 | 66% | 0.656 | 82% | 0.818 | S | S | * | * | trans | -139.9 | 109.2 | 166.4 | -51.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 371 | L | 27.2 | Very low | 31.2 | Very low | 155 Ų | 155 | 153.4 Ų | 153.4 | 81% | 0.812 | 83% | 0.825 | S | S | * | * | trans | 57.4 | 102.5 | 143.8 | -53.7 | 171 | 0 | 0 | 0 | 118.5 | ||||
| 372 | T | 28.1 | Very low | 31.9 | Very low | 149 Ų | 149 | 156.3 Ų | 156.3 | 91% | 0.914 | 84% | 0.836 | S | S | * | * | trans | -109 | 88.8 | 145.6 | 42.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 373 | A | 31.2 | Very low | 32.5 | Very low | 95 Ų | 95 | 155.9 Ų | 155.9 | 79% | 0.785 | 84% | 0.84 | S | S | * | * | trans | -103.9 | 112 | 152.6 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 374 | S | 28.7 | Very low | 33.2 | Very low | 119 Ų | 119 | 155 Ų | 155 | 83% | 0.832 | 84% | 0.837 | S | S | * | * | trans | -144.7 | 132.6 | 159.2 | 55.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 375 | S | 30.1 | Very low | 33.8 | Very low | 106 Ų | 106 | 151.4 Ų | 151.4 | 74% | 0.741 | 83% | 0.833 | S | S | * | * | trans | -17.7 | 137.6 | 172 | -148.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 376 | R | 35.2 | Very low | 34.7 | Very low | 236 Ų | 236 | 151.9 Ų | 151.9 | 89% | 0.891 | 83% | 0.831 | S | S | * | * | trans | -66.5 | 133 | 153.2 | -70.4 | 172.8 | -177.6 | 162.4 | 1.1 | 108.1 | ||||
| 377 | D | 30.7 | Very low | 35.9 | Very low | 156 Ų | 156 | 153.8 Ų | 153.8 | 83% | 0.834 | 83% | 0.832 | S | S | * | * | trans | -137.1 | 123.8 | 148.4 | -91.7 | -41.9 | 0 | 0 | 0 | 109.7 | ||||
| 378 | T | 36.2 | Very low | 37.4 | Very low | 136 Ų | 136 | 154.6 Ų | 154.6 | 83% | 0.834 | 83% | 0.831 | S | S | * | * | trans | -82.9 | 120.6 | 173.7 | 39.4 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 379 | S | 31 | Very low | 38.9 | Very low | 121 Ų | 121 | 155 Ų | 155 | 85% | 0.846 | 83% | 0.827 | S | S | * | * | trans | -157.3 | 143.3 | 149.7 | 58.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 380 | G | 43.4 | Very low | 40.4 | Very low | 84 Ų | 84 | 146 Ų | 146 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | trans | -69.6 | 148.3 | -153.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 381 | C | 30.7 | Very low | 42.9 | Very low | 124 Ų | 124 | 144.7 Ų | 144.7 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | trans | -138.9 | 122.6 | 155.7 | -161.4 | 0 | 0 | 0 | 0 | 108.1 | K383 | C381-K383 PolarHBondContact O-N 2.88Å; C381-K383 VanDerWaalsContact O-N 3.15Å | ||
| 382 | K | 43.1 | Very low | 45.2 | Very low | 202 Ų | 202 | 143 Ų | 143 | 88% | 0.878 | 79% | 0.789 | S | S | * | * | trans | -52.3 | 119.5 | 178 | -66.1 | 178.1 | 178 | 178.6 | 0 | 108.5 | R384 | K382-R384 PolarHBondContact O-N 2.8Š| ||
| 383 | K | 39.2 | Very low | 47.7 | Very low | 207 Ų | 207 | 143.2 Ų | 143.2 | 90% | 0.9 | 78% | 0.78 | S | S | * | * | trans | -56 | 106.7 | 173.1 | -73.4 | -176.5 | 178.2 | 178.4 | 0 | 108.2 | C381 | C381-K383 PolarHBondContact O-N 2.88Å; C381-K383 VanDerWaalsContact O-N 3.15Å | ||
| 384 | R | 48.3 | Very low | 50.3 | Low | 226 Ų | 226 | 143.6 Ų | 143.6 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | trans | -63.9 | 137.9 | 160.1 | -71.7 | -177 | 175.9 | -179 | -1.1 | 106.9 | K382 V386 | K382-R384 PolarHBondContact O-N 2.8Å; R384-V386 PolarHBondContact O-N 2.89Å | ||
| 385 | P | 44.8 | Very low | 52.7 | Low | 120 Ų | 120 | 143.1 Ų | 143.1 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | trans | -58.1 | 137.3 | 177.2 | 24.5 | -31.4 | 0 | 0 | 0 | 108.7 | K387 | P385-K387 PolarHBondContact O-N 3.38Š| ||
| 386 | V | 47.7 | Very low | 55.2 | Low | 131 Ų | 131 | 143.2 Ų | 143.2 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | trans | -55.9 | 111.9 | 173.1 | 175.9 | 0 | 0 | 0 | 0 | 106.3 | R384 E388 | R384-V386 PolarHBondContact O-N 2.89Å; V386-E388 VanDerWaalsContact C-N 3.33Å; V386-E388 PolarHBondContact O-N 2.87Å | ||
| 387 | K | 56.1 | Low | 57.5 | Low | 196 Ų | 196 | 137.1 Ų | 137.1 | 85% | 0.852 | 72% | 0.723 | S | S | * | * | trans | -66.4 | 102.7 | 166.3 | -83.9 | -174.7 | 174.3 | -176.8 | 0 | 105.8 | P385 K389 | P385-K387 PolarHBondContact O-N 3.38Å; K387-K389 PolarHBondContact O-N 3.2Å | ||
| 388 | E | 61.3 | Low | 60.1 | Low | 176 Ų | 176 | 136 Ų | 136 | 82% | 0.822 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 126.5 | 166.4 | -71.4 | -178.7 | 158.3 | 0 | 0 | 107.4 | V386 P390 | V386-E388 VanDerWaalsContact C-N 3.33Å; V386-E388 PolarHBondContact O-N 2.87Å; E388-P390 WeakPolarHBondContact O-CD 3.37Å |
| 389 | K | 61.7 | Low | 62.1 | Low | 155 Ų | 155 | 133.6 Ų | 133.6 | 67% | 0.674 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 122.1 | 173.2 | -77.4 | -176.5 | 169.4 | -169.8 | 0 | 106.1 | E177 K387 T391 | E177-K389 WeakPolarHBondContact OE2-CE 3.4Å; E177-K389 IonicContact OE2-NZ 3.39Å; E177-K389 PolarHBondContact OE2-NZ 2.83Å; K387-K389 PolarHBondContact O-N 3.2Å; K389-T391 PolarHBondContact O-N 3.26Å |
| 390 | P | 63.5 | Low | 64.6 | Low | 64 Ų | 64 | 132 Ų | 132 | 42% | 0.416 | 68% | 0.679 | S | S | . | * | P | Polyproline II helix | trans | -55.7 | 136.3 | 178 | 22.9 | -31.4 | 0 | 0 | 0 | 108.3 | E388 E394 E395 | E388-P390 WeakPolarHBondContact O-CD 3.37Å; P390-E394 WeakPolarHBondContact CA-OE2 3.26Å; P390-E394 HydrophobicContact CB-CB 3.83Å; P390-E395 HydrophobicContact CB-CG 3.96Å; P390-E395 HydrophobicContact CG-CG 3.62Å |
| 391 | T | 82.6 | Confident | 66.6 | Low | 81 Ų | 81 | 132.9 Ų | 132.9 | 50% | 0.497 | 66% | 0.661 | S | S | . | * | P | Polyproline II helix | trans | -58.2 | 154.4 | 174 | 56.9 | 0 | 0 | 0 | 0 | 109.3 | K389 Q393 E394 E395 | K389-T391 PolarHBondContact O-N 3.26Å; T391-Q393 PolarHBondContact O-N 2.88Å; T391-E394 PolarHBondContact N-OE2 2.63Å; T391-E394 WeakPolarHBondContact O-CA 3.08Å; T391-E394 WeakPolarHBondContact O-CB 3.44Å; T391-E394 PolarHBondContact O-N 3.17Å; T391-E394 WeakPolarHBondContact OG1-CG 3.2Å; T391-E394 PolarHBondContact OG1-N 3.28Å; T391-E394 PolarHBondContact OG1-OE2 2.89Å; T391-E395 PolarHBondContact O-N 3.28Å |
| 392 | V | 76.1 | Confident | 69 | Low | 120 Ų | 120 | 130 Ų | 130 | 73% | 0.727 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -52 | -30.4 | 178.9 | 176.4 | 0 | 0 | 0 | 0 | 111.7 | L396 | V392-L396 VanDerWaalsContact O-CB 3.31Å; V392-L396 WeakPolarHBondContact O-CB 3.12Å; V392-L396 PolarHBondContact O-N 2.85Å |
| 393 | Q | 80.3 | Confident | 70.8 | Confident | 152 Ų | 152 | 126.6 Ų | 126.6 | 71% | 0.71 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -69.9 | -41.5 | 175.7 | -173.4 | 161.2 | -9.1 | 0 | 0 | 113 | T391 L396 Q397 | T391-Q393 PolarHBondContact O-N 2.88Å; Q393-L396 PolarHBondContact O-N 3.2Å; Q393-Q397 VanDerWaalsContact O-CB 3.32Å; Q393-Q397 WeakPolarHBondContact O-CB 3.27Å; Q393-Q397 PolarHBondContact O-N 2.9Å |
| 394 | E | 85.1 | Confident | 72.6 | Confident | 103 Ų | 103 | 124 Ų | 124 | 48% | 0.481 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -69.7 | -37 | 174.8 | -70.3 | 166.3 | 144.7 | 0 | 0 | 111.8 | P390 T391 Q397 K398 | P390-E394 WeakPolarHBondContact CA-OE2 3.26Å; P390-E394 HydrophobicContact CB-CB 3.83Å; T391-E394 PolarHBondContact N-OE2 2.63Å; T391-E394 WeakPolarHBondContact O-CA 3.08Å; T391-E394 WeakPolarHBondContact O-CB 3.44Å; T391-E394 PolarHBondContact O-N 3.17Å; T391-E394 WeakPolarHBondContact OG1-CG 3.2Å; T391-E394 PolarHBondContact OG1-N 3.28Å; T391-E394 PolarHBondContact OG1-OE2 2.89Å; E394-Q397 PolarHBondContact O-N 2.97Å; E394-K398 VanDerWaalsContact O-CB 3.3Å; E394-K398 WeakPolarHBondContact O-CB 3.4Å; E394-K398 PolarHBondContact O-N 2.89Å |
| 395 | E | 79.9 | Confident | 74.1 | Confident | 109 Ų | 109 | 119.6 Ų | 119.6 | 51% | 0.509 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -63.1 | -44.8 | 172.6 | -69.9 | -170.2 | 158.5 | 0 | 0 | 111.4 | P390 T391 K398 C399 | P390-E395 HydrophobicContact CB-CG 3.96Å; P390-E395 HydrophobicContact CG-CG 3.62Å; T391-E395 PolarHBondContact O-N 3.28Å; E395-K398 PolarHBondContact O-N 3.46Å; E395-C399 WeakPolarHBondContact O-CB 3.29Å; E395-C399 PolarHBondContact O-N 3.28Å |
| 396 | L | 82.1 | Confident | 75.8 | Confident | 108 Ų | 108 | 119.2 Ų | 119.2 | 57% | 0.565 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -62.8 | -44 | 175.8 | -178.8 | 63 | 0 | 0 | 0 | 111.4 | V392 Q393 K398 C399 I400 | V392-L396 VanDerWaalsContact O-CB 3.31Å; V392-L396 WeakPolarHBondContact O-CB 3.12Å; V392-L396 PolarHBondContact O-N 2.85Å; Q393-L396 PolarHBondContact O-N 3.2Å; L396-K398 VanDerWaalsContact C-N 3.32Å; L396-K398 PolarHBondContact O-N 2.97Å; L396-C399 WeakPolarHBondContact O-CB 3.02Å; L396-C399 PolarHBondContact O-N 3.06Å; L396-I400 HydrophobicContact CD1-CD1 4.43Å; L396-I400 HydrophobicContact CG-CD1 4.09Å; L396-I400 VanDerWaalsContact O-CG1 3.29Å; L396-I400 WeakPolarHBondContact O-CG1 3.35Å; L396-I400 PolarHBondContact O-N 3.36Å |
| 397 | Q | 84.1 | Confident | 77.3 | Confident | 109 Ų | 109 | 122.2 Ų | 122.2 | 51% | 0.509 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.6 | -38.3 | 179 | -166.5 | 173.8 | -4.5 | 0 | 0 | 111.6 | Q393 E394 I400 Q401 | Q393-Q397 VanDerWaalsContact O-CB 3.32Å; Q393-Q397 WeakPolarHBondContact O-CB 3.27Å; Q393-Q397 PolarHBondContact O-N 2.9Å; E394-Q397 PolarHBondContact O-N 2.97Å; Q397-I400 PolarHBondContact O-N 3.02Å; Q397-Q401 WeakPolarHBondContact O-CG 3.3Å; Q397-Q401 PolarHBondContact O-N 2.92Å |
| 398 | K | 85.1 | Confident | 78.2 | Confident | 132 Ų | 132 | 114.7 Ų | 114.7 | 57% | 0.574 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -65.7 | -41.6 | 172.4 | -169.9 | -173.9 | 174.6 | -143.2 | 0 | 111.7 | E394 E395 L396 I400 Q401 D402 | E394-K398 VanDerWaalsContact O-CB 3.3Å; E394-K398 WeakPolarHBondContact O-CB 3.4Å; E394-K398 PolarHBondContact O-N 2.89Å; E395-K398 PolarHBondContact O-N 3.46Å; L396-K398 VanDerWaalsContact C-N 3.32Å; L396-K398 PolarHBondContact O-N 2.97Å; K398-I400 VanDerWaalsContact C-N 3.33Å; K398-I400 PolarHBondContact O-N 3.45Å; K398-Q401 PolarHBondContact O-N 3.36Å; K398-D402 WeakPolarHBondContact O-CB 3.32Å; K398-D402 PolarHBondContact O-N 2.92Å |
| 399 | C | 77.9 | Confident | 78.7 | Confident | 85 Ų | 85 | 109.4 Ų | 109.4 | 57% | 0.574 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.6 | -40.5 | 177.1 | -139.3 | 0 | 0 | 0 | 0 | 111.6 | E395 L396 D402 F403 | E395-C399 WeakPolarHBondContact O-CB 3.29Å; E395-C399 PolarHBondContact O-N 3.28Å; L396-C399 WeakPolarHBondContact O-CB 3.02Å; L396-C399 PolarHBondContact O-N 3.06Å; C399-D402 PolarHBondContact O-N 3.38Å; C399-F403 WeakPolarHBondContact O-CB 3.42Å; C399-F403 PolarHBondContact O-N 3.14Å |
| 400 | I | 83.2 | Confident | 79.1 | Confident | 87 Ų | 87 | 109.6 Ų | 109.6 | 45% | 0.446 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.8 | -48.9 | 172.8 | -67 | 164.7 | 0 | 0 | 0 | 110 | L396 Q397 K398 D402 F403 H404 | L396-I400 HydrophobicContact CD1-CD1 4.43Å; L396-I400 HydrophobicContact CG-CD1 4.09Å; L396-I400 VanDerWaalsContact O-CG1 3.29Å; L396-I400 WeakPolarHBondContact O-CG1 3.35Å; L396-I400 PolarHBondContact O-N 3.36Å; Q397-I400 PolarHBondContact O-N 3.02Å; K398-I400 VanDerWaalsContact C-N 3.33Å; K398-I400 PolarHBondContact O-N 3.45Å; I400-D402 VanDerWaalsContact C-N 3.28Å; I400-D402 PolarHBondContact O-N 2.84Å; I400-F403 WeakPolarHBondContact O-CB 3.16Å; I400-F403 PolarHBondContact O-N 3.47Å; I400-H404 PolarHBondContact O-CD2 2.81Å; I400-H404 PolarHBondContact O-N 2.75Å; I400-H404 VanDerWaalsContact O-N 3.08Å |
| 401 | Q | 85.1 | Confident | 79.4 | Confident | 103 Ų | 103 | 116.2 Ų | 116.2 | 48% | 0.481 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60 | -38.7 | 177.6 | -74.5 | 178.8 | 15.7 | 0 | 0 | 112.8 | Q397 K398 H404 K405 | Q397-Q401 WeakPolarHBondContact O-CG 3.3Å; Q397-Q401 PolarHBondContact O-N 2.92Å; K398-Q401 PolarHBondContact O-N 3.36Å; Q401-H404 PolarHBondContact O-N 3.2Å; Q401-K405 WeakPolarHBondContact O-CG 3.41Å; Q401-K405 PolarHBondContact O-N 3.19Å |
| 402 | D | 81.3 | Confident | 79.2 | Confident | 65 Ų | 65 | 114.6 Ų | 114.6 | 35% | 0.348 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -72.7 | -33.5 | 178.7 | -70.6 | -17.5 | 0 | 0 | 0 | 111.6 | K398 C399 I400 H404 K405 I406 | K398-D402 WeakPolarHBondContact O-CB 3.32Å; K398-D402 PolarHBondContact O-N 2.92Å; C399-D402 PolarHBondContact O-N 3.38Å; I400-D402 VanDerWaalsContact C-N 3.28Å; I400-D402 PolarHBondContact O-N 2.84Å; D402-H404 VanDerWaalsContact C-N 3.33Å; D402-H404 PolarHBondContact O-N 2.87Å; D402-K405 WeakPolarHBondContact O-CB 3.22Å; D402-K405 PolarHBondContact O-N 2.62Å; D402-K405 VanDerWaalsContact O-N 3.1Å; D402-K405 IonicContact OD1-NZ 2.89Å; D402-K405 PolarHBondContact OD1-NZ 2.7Å; D402-I406 PolarHBondContact O-N 2.64Å |
| 403 | F | 81.4 | Confident | 78.8 | Confident | 130 Ų | 130 | 115 Ų | 115 | 57% | 0.57 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60.9 | -41.3 | 171.2 | -171.3 | -97.7 | 0 | 0 | 0 | 111.9 | C399 I400 K405 I406 | C399-F403 WeakPolarHBondContact O-CB 3.42Å; C399-F403 PolarHBondContact O-N 3.14Å; I400-F403 WeakPolarHBondContact O-CB 3.16Å; I400-F403 PolarHBondContact O-N 3.47Å; F403-K405 PolarHBondContact O-N 2.85Å; F403-I406 HydrophobicContact CD2-CD1 4.1Å; F403-I406 PolarHBondContact O-N 3.1Å |
| 404 | H | 75.9 | Confident | 78.1 | Confident | 152 Ų | 152 | 110.6 Ų | 110.6 | 70% | 0.704 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -16.3 | 176.2 | -78.2 | -115.7 | 0 | 0 | 0 | 113.7 | I400 Q401 D402 | I400-H404 PolarHBondContact O-CD2 2.81Å; I400-H404 PolarHBondContact O-N 2.75Å; I400-H404 VanDerWaalsContact O-N 3.08Å; Q401-H404 PolarHBondContact O-N 3.2Å; D402-H404 VanDerWaalsContact C-N 3.33Å; D402-H404 PolarHBondContact O-N 2.87Å |
| 405 | K | 80.9 | Confident | 76.9 | Confident | 134 Ų | 134 | 116.1 Ų | 116.1 | 58% | 0.583 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -10.1 | 176.3 | -68.3 | 170.8 | -161.7 | 158 | 0 | 113.3 | Q401 D402 F403 K407 | Q401-K405 WeakPolarHBondContact O-CG 3.41Å; Q401-K405 PolarHBondContact O-N 3.19Å; D402-K405 WeakPolarHBondContact O-CB 3.22Å; D402-K405 PolarHBondContact O-N 2.62Å; D402-K405 VanDerWaalsContact O-N 3.1Å; D402-K405 IonicContact OD1-NZ 2.89Å; D402-K405 PolarHBondContact OD1-NZ 2.7Å; F403-K405 PolarHBondContact O-N 2.85Å; K405-K407 PolarHBondContact O-N 3.26Å; K405-K407 VanDerWaalsContact O-N 3.09Å |
| 406 | I | 80.7 | Confident | 76.3 | Confident | 112 Ų | 112 | 117.5 Ų | 117.5 | 57% | 0.574 | 57% | 0.572 | S | S | * | * | trans | -69.1 | 109.9 | 178.5 | -59.7 | 174.7 | 0 | 0 | 0 | 108.2 | D402 F403 | D402-I406 PolarHBondContact O-N 2.64Å; F403-I406 HydrophobicContact CD2-CD1 4.1Å; F403-I406 PolarHBondContact O-N 3.1Å | ||
| 407 | K | 78 | Confident | 76 | Confident | 194 Ų | 194 | 119 Ų | 119 | 84% | 0.843 | 57% | 0.572 | S | S | * | * | trans | -88.4 | 115.5 | 170.9 | -67.1 | -170.4 | 177.7 | -173 | 0 | 108.9 | K405 | K405-K407 PolarHBondContact O-N 3.26Å; K405-K407 VanDerWaalsContact O-N 3.09Å | ||
| 408 | I | 75.8 | Confident | 75.6 | Confident | 38 Ų | 38 | 119.1 Ų | 119.1 | 20% | 0.195 | 58% | 0.579 | C | S | . | * | trans | -75.3 | 125.5 | 170.6 | -59.1 | 170.2 | 0 | 0 | 0 | 106.8 | F412 L423 L424 Y427 L429 | I408-F412 HydrophobicContact CG2-CE2 4.3Å; I408-F412 HydrophobicContact CG2-CZ 4.11Å; I408-L423 HydrophobicContact CD1-CD2 4.07Å; I408-L423 HydrophobicContact CD1-CG 4.11Å; I408-L423 HydrophobicContact CG1-CD2 4.28Å; I408-L423 HydrophobicContact CG2-CD2 3.98Å; I408-L424 HydrophobicContact CG2-CD2 3.99Å; I408-Y427 HydrophobicContact CD1-CD2 3.57Å; I408-Y427 HydrophobicContact CD1-CE2 4Å; I408-Y427 HydrophobicContact CD1-CG 3.93Å; I408-L429 HydrophobicContact CB-CD1 3.75Å; I408-L429 HydrophobicContact CD1-CD1 4.38Å; I408-L429 HydrophobicContact CG2-CD1 4.07Å | ||
| 409 | P | 72.4 | Confident | 75.5 | Confident | 64 Ų | 64 | 120 Ų | 120 | 42% | 0.416 | 58% | 0.579 | S | S | . | * | trans | -61 | 140.5 | 174.5 | -20.5 | 31.8 | 0 | 0 | 0 | 110.9 | R411 F412 L424 | P409-R411 PolarHBondContact O-N 3.23Å; P409-R411 VanDerWaalsContact O-N 3.16Å; P409-F412 HydrophobicContact CG-CD1 4.44Å; P409-F412 HydrophobicContact CG-CE1 3.99Å; P409-F412 HydrophobicContact CG-CZ 4.42Å; P409-L424 WeakPolarHBondContact O-CD2 3.21Å | ||
| 410 | E | 68.8 | Low | 75.7 | Confident | 159 Ų | 159 | 117.1 Ų | 117.1 | 74% | 0.743 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -61.7 | -21.5 | 175 | -66.1 | 180 | 177.8 | 0 | 0 | 112.4 | ||
| 411 | R | 70.6 | Confident | 75.3 | Confident | 204 Ų | 204 | 115.3 Ų | 115.3 | 77% | 0.77 | 55% | 0.55 | S | S | * | * | S | Bend | trans | -149.1 | 134.6 | 174.6 | -155.8 | 177.5 | -158 | -168.9 | 5.1 | 111.1 | P409 | P409-R411 PolarHBondContact O-N 3.23Å; P409-R411 VanDerWaalsContact O-N 3.16Å |
| 412 | F | 78.6 | Confident | 75.1 | Confident | 46 Ų | 46 | 113.8 Ų | 113.8 | 20% | 0.202 | 55% | 0.546 | C | S | . | . | trans | -90.1 | 122.3 | 169.5 | -65.7 | -81.7 | 0 | 0 | 0 | 109.7 | I408 P409 Q420 L423 L424 | I408-F412 HydrophobicContact CG2-CE2 4.3Å; I408-F412 HydrophobicContact CG2-CZ 4.11Å; P409-F412 HydrophobicContact CG-CD1 4.44Å; P409-F412 HydrophobicContact CG-CE1 3.99Å; P409-F412 HydrophobicContact CG-CZ 4.42Å; F412-Q420 HydrophobicContact CD2-CB 3.93Å; F412-Q420 HydrophobicContact CD2-CG 4.29Å; F412-Q420 HydrophobicContact CE2-CB 4.26Å; F412-Q420 HydrophobicContact CG-CB 4.46Å; F412-Q420 HydrophobicContact CG-CG 4.42Å; F412-L423 HydrophobicContact CZ-CD2 4.29Å; F412-L424 HydrophobicContact CD2-CD1 4.14Å; F412-L424 HydrophobicContact CD2-CG 4.41Å; F412-L424 HydrophobicContact CE2-CD1 4.37Å; F412-L424 HydrophobicContact CE2-CD2 4.18Å; F412-L424 HydrophobicContact CE2-CG 4.14Å | ||
| 413 | P | 66.9 | Low | 75 | Confident | 130 Ų | 130 | 113.2 Ų | 113.2 | 84% | 0.844 | 54% | 0.542 | S | S | * | . | trans | -79.2 | 124.7 | 177.8 | 28.5 | -30.6 | 0 | 0 | 0 | 111.6 | ||||
| 414 | G | 67.3 | Low | 74.9 | Confident | 59 Ų | 59 | 108.3 Ų | 108.3 | 61% | 0.608 | 52% | 0.522 | S | S | * | . | S | Bend | trans | 89.1 | 152.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q416 | G414-Q416 PolarHBondContact O-N 3.46Š|
| 415 | R | 59.2 | Low | 75 | Confident | 218 Ų | 218 | 109.4 Ų | 109.4 | 82% | 0.823 | 52% | 0.52 | S | S | * | . | S | Bend | trans | 4.5 | 100.5 | -176.1 | -68.4 | -171.2 | -171.6 | -160.1 | 2.8 | 115 | Y417 Q420 | R415-Y417 WeakPolarHBondContact O-CD2 3.5Å; R415-Y417 PolarHBondContact O-N 2.81Å; R415-Q420 PolarHBondContact O-OE1 3.18Å |
| 416 | Q | 66.4 | Low | 74.9 | Confident | 138 Ų | 138 | 110.7 Ų | 110.7 | 65% | 0.645 | 53% | 0.525 | S | S | * | . | trans | -68.5 | 110.3 | 177.7 | -71.2 | -173.8 | -7.4 | 0 | 0 | 110.7 | G414 | G414-Q416 PolarHBondContact O-N 3.46Š| ||
| 417 | Y | 76.2 | Confident | 74.6 | Confident | 141 Ų | 141 | 110.5 Ų | 110.5 | 55% | 0.553 | 52% | 0.518 | S | S | * | . | trans | -79.2 | 144.1 | 165.2 | -64.7 | -85.3 | 0 | 0 | 0 | 109.2 | R415 W419 Q420 | R415-Y417 WeakPolarHBondContact O-CD2 3.5Å; R415-Y417 PolarHBondContact O-N 2.81Å; Y417-W419 VanDerWaalsContact CB-CD1 3.49Å; Y417-W419 VanDerWaalsContact CB-NE1 3.35Å; Y417-W419 AromaticContact CG-NE1 3.91Å; Y417-W419 PolarHBondContact O-N 3.01Å; Y417-Q420 WeakPolarHBondContact O-CB 3.11Å; Y417-Q420 PolarHBondContact O-N 3.48Å | ||
| 418 | V | 76.9 | Confident | 74.3 | Confident | 111 Ų | 111 | 112.7 Ų | 112.7 | 67% | 0.673 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -51 | -38.7 | -175.7 | -179.1 | 0 | 0 | 0 | 0 | 112.6 | Q420 T421 D422 | V418-Q420 VanDerWaalsContact C-N 3.3Å; V418-Q420 PolarHBondContact O-N 3.2Å; V418-T421 PolarHBondContact O-N 3.35Å; V418-D422 PolarHBondContact O-N 2.85Å |
| 419 | W | 83 | Confident | 73.7 | Confident | 151 Ų | 151 | 116.2 Ų | 116.2 | 57% | 0.572 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65.7 | -28.5 | 178.9 | 70.7 | -96.2 | 0 | 0 | 0 | 113.8 | Y417 L423 | Y417-W419 VanDerWaalsContact CB-CD1 3.49Å; Y417-W419 VanDerWaalsContact CB-NE1 3.35Å; Y417-W419 AromaticContact CG-NE1 3.91Å; Y417-W419 PolarHBondContact O-N 3.01Å; W419-L423 HydrophobicContact CZ3-CD2 4.46Å; W419-L423 VanDerWaalsContact O-CB 3.25Å; W419-L423 WeakPolarHBondContact O-CB 3.46Å; W419-L423 PolarHBondContact O-N 2.76Å |
| 420 | Q | 80.3 | Confident | 73.8 | Confident | 24 Ų | 24 | 118.9 Ų | 118.9 | 11% | 0.112 | 55% | 0.546 | C | S | . | . | H | α-helix | trans | -70.2 | -41.7 | 177.5 | -65.6 | 171.5 | -37.8 | 0 | 0 | 110.3 | F412 R415 Y417 V418 L423 L424 | F412-Q420 HydrophobicContact CD2-CB 3.93Å; F412-Q420 HydrophobicContact CD2-CG 4.29Å; F412-Q420 HydrophobicContact CE2-CB 4.26Å; F412-Q420 HydrophobicContact CG-CB 4.46Å; F412-Q420 HydrophobicContact CG-CG 4.42Å; R415-Q420 PolarHBondContact O-OE1 3.18Å; Y417-Q420 WeakPolarHBondContact O-CB 3.11Å; Y417-Q420 PolarHBondContact O-N 3.48Å; V418-Q420 VanDerWaalsContact C-N 3.3Å; V418-Q420 PolarHBondContact O-N 3.2Å; Q420-L423 PolarHBondContact O-N 2.71Å; Q420-L424 WeakPolarHBondContact O-CG 3.07Å; Q420-L424 PolarHBondContact O-N 3.47Å; Q420-L424 VanDerWaalsContact O-N 3.08Å |
| 421 | T | 76 | Confident | 74 | Confident | 49 Ų | 49 | 116.7 Ų | 116.7 | 30% | 0.301 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67 | -42.4 | 176.1 | -49.9 | 0 | 0 | 0 | 0 | 111.4 | V418 L423 L424 R425 | V418-T421 PolarHBondContact O-N 3.35Å; T421-L423 VanDerWaalsContact C-N 3.3Å; T421-L423 PolarHBondContact O-N 2.92Å; T421-L424 PolarHBondContact O-N 3.35Å; T421-R425 WeakPolarHBondContact O-CB 3.21Å; T421-R425 PolarHBondContact O-N 2.7Å |
| 422 | D | 80.1 | Confident | 74.2 | Confident | 71 Ų | 71 | 111.9 Ų | 111.9 | 38% | 0.38 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.4 | -33.6 | 176.4 | -72.4 | -21.9 | 0 | 0 | 0 | 112.2 | V418 R425 K426 | V418-D422 PolarHBondContact O-N 2.85Å; D422-R425 IonicContact OD1-CZ 3.67Å; D422-R425 IonicContact OD1-NH1 2.79Å; D422-R425 PolarHBondContact OD1-NH1 3.21Å; D422-K426 WeakPolarHBondContact O-CB 3.43Å; D422-K426 PolarHBondContact O-N 2.86Å |
| 423 | L | 79.5 | Confident | 74 | Confident | 52 Ų | 52 | 115.8 Ų | 115.8 | 27% | 0.272 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.2 | -49.8 | 175 | -165.8 | 79.9 | 0 | 0 | 0 | 111 | I408 F412 W419 Q420 T421 R425 K426 Y427 | I408-L423 HydrophobicContact CD1-CD2 4.07Å; I408-L423 HydrophobicContact CD1-CG 4.11Å; I408-L423 HydrophobicContact CG1-CD2 4.28Å; I408-L423 HydrophobicContact CG2-CD2 3.98Å; F412-L423 HydrophobicContact CZ-CD2 4.29Å; W419-L423 HydrophobicContact CZ3-CD2 4.46Å; W419-L423 VanDerWaalsContact O-CB 3.25Å; W419-L423 WeakPolarHBondContact O-CB 3.46Å; W419-L423 PolarHBondContact O-N 2.76Å; Q420-L423 PolarHBondContact O-N 2.71Å; T421-L423 VanDerWaalsContact C-N 3.3Å; T421-L423 PolarHBondContact O-N 2.92Å; L423-R425 PolarHBondContact O-N 2.78Å; L423-K426 PolarHBondContact O-N 3.18Å; L423-Y427 HydrophobicContact CD1-CD2 4.17Å; L423-Y427 HydrophobicContact CD1-CE2 3.83Å; L423-Y427 HydrophobicContact CG-CD2 4.24Å; L423-Y427 HydrophobicContact CG-CE2 4.4Å; L423-Y427 VanDerWaalsContact O-CD2 3.28Å; L423-Y427 WeakPolarHBondContact O-CD2 3.39Å; L423-Y427 PolarHBondContact O-N 3Å; L423-Y427 VanDerWaalsContact O-N 3.13Å |
| 424 | L | 78.8 | Confident | 74.4 | Confident | 28 Ų | 28 | 114.9 Ų | 114.9 | 15% | 0.147 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -60 | -46.1 | 176.3 | -68.5 | 174.7 | 0 | 0 | 0 | 111.4 | I408 P409 F412 Q420 T421 K426 Y427 R428 L429 | I408-L424 HydrophobicContact CG2-CD2 3.99Å; P409-L424 WeakPolarHBondContact O-CD2 3.21Å; F412-L424 HydrophobicContact CD2-CD1 4.14Å; F412-L424 HydrophobicContact CD2-CG 4.41Å; F412-L424 HydrophobicContact CE2-CD1 4.37Å; F412-L424 HydrophobicContact CE2-CD2 4.18Å; F412-L424 HydrophobicContact CE2-CG 4.14Å; Q420-L424 WeakPolarHBondContact O-CG 3.07Å; Q420-L424 PolarHBondContact O-N 3.47Å; Q420-L424 VanDerWaalsContact O-N 3.08Å; T421-L424 PolarHBondContact O-N 3.35Å; L424-K426 PolarHBondContact O-N 2.58Å; L424-Y427 CarbonylContact O-C 3.53Å; L424-Y427 PolarHBondContact O-N 2.88Å; L424-R428 PolarHBondContact O-N 3.25Å; L424-L429 HydrophobicContact CD2-CB 4Å; L424-L429 PolarHBondContact O-N 3.26Å; L424-L429 VanDerWaalsContact O-N 3.13Å |
| 425 | R | 78.1 | Confident | 74.9 | Confident | 174 Ų | 174 | 118.6 Ų | 118.6 | 66% | 0.657 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -58.9 | -44.6 | 176.6 | -169.8 | -170.5 | -64.1 | 135.1 | 1.6 | 112.2 | T421 D422 L423 Y427 R428 | T421-R425 WeakPolarHBondContact O-CB 3.21Å; T421-R425 PolarHBondContact O-N 2.7Å; D422-R425 IonicContact OD1-CZ 3.67Å; D422-R425 IonicContact OD1-NH1 2.79Å; D422-R425 PolarHBondContact OD1-NH1 3.21Å; L423-R425 PolarHBondContact O-N 2.78Å; R425-Y427 VanDerWaalsContact C-N 3.32Å; R425-Y427 PolarHBondContact O-N 2.89Å; R425-R428 PolarHBondContact O-N 3.39Å |
| 426 | K | 79.2 | Confident | 76 | Confident | 161 Ų | 161 | 111.5 Ų | 111.5 | 70% | 0.7 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -65.7 | -34.7 | -177.7 | -175.8 | 173.3 | -178.5 | 176.9 | 0 | 112.4 | D422 L423 L424 | D422-K426 WeakPolarHBondContact O-CB 3.43Å; D422-K426 PolarHBondContact O-N 2.86Å; L423-K426 PolarHBondContact O-N 3.18Å; L424-K426 PolarHBondContact O-N 2.58Å |
| 427 | Y | 74.7 | Confident | 76.8 | Confident | 109 Ų | 109 | 109.5 Ų | 109.5 | 43% | 0.427 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -98.8 | 3.8 | -179.6 | -68.8 | -77.6 | 0 | 0 | 0 | 114.1 | I408 L423 L424 R425 L429 | I408-Y427 HydrophobicContact CD1-CD2 3.57Å; I408-Y427 HydrophobicContact CD1-CE2 4Å; I408-Y427 HydrophobicContact CD1-CG 3.93Å; L423-Y427 HydrophobicContact CD1-CD2 4.17Å; L423-Y427 HydrophobicContact CD1-CE2 3.83Å; L423-Y427 HydrophobicContact CG-CD2 4.24Å; L423-Y427 HydrophobicContact CG-CE2 4.4Å; L423-Y427 VanDerWaalsContact O-CD2 3.28Å; L423-Y427 WeakPolarHBondContact O-CD2 3.39Å; L423-Y427 PolarHBondContact O-N 3Å; L423-Y427 VanDerWaalsContact O-N 3.13Å; L424-Y427 CarbonylContact O-C 3.53Å; L424-Y427 PolarHBondContact O-N 2.88Å; R425-Y427 VanDerWaalsContact C-N 3.32Å; R425-Y427 PolarHBondContact O-N 2.89Å; Y427-L429 PolarHBondContact O-N 3.17Å |
| 428 | R | 71.5 | Confident | 76.8 | Confident | 239 Ų | 239 | 106.8 Ų | 106.8 | 90% | 0.902 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 39.1 | -179.5 | -55.9 | -175 | 179.5 | -175.5 | -0.6 | 113.2 | L424 R425 | L424-R428 PolarHBondContact O-N 3.25Å; R425-R428 PolarHBondContact O-N 3.39Å |
| 429 | L | 63.6 | Low | 76.8 | Confident | 113 Ų | 113 | 106.5 Ų | 106.5 | 59% | 0.592 | 46% | 0.46 | S | S | * | . | trans | -101.6 | 0 | 177 | -66.8 | 172 | 0 | 0 | 0 | 111.1 | I408 L424 Y427 | I408-L429 HydrophobicContact CB-CD1 3.75Å; I408-L429 HydrophobicContact CD1-CD1 4.38Å; I408-L429 HydrophobicContact CG2-CD1 4.07Å; L424-L429 HydrophobicContact CD2-CB 4Å; L424-L429 PolarHBondContact O-N 3.26Å; L424-L429 VanDerWaalsContact O-N 3.13Å; Y427-L429 PolarHBondContact O-N 3.17Å |
Retrieved 429 of 429 residues in 584.5 ms
(Link to these results)