| 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 | 44.4 | Very low | 50.4 | Low | 250 Ų | 250 | 151.2 Ų | 151.2 | 100% | 1.232 | 79% | 0.786 | S | S | * | * | 0 | 108.3 | 0 | -60.1 | -176.1 | -174.5 | 0 | 0 | 106 | |||||
| 2 | A | 44.3 | Very low | 50 | Low | 110 Ų | 110 | 153.8 Ų | 153.8 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | trans | -85.7 | 126.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 3 | E | 47.4 | Very low | 49.8 | Very low | 194 Ų | 194 | 150.2 Ų | 150.2 | 91% | 0.907 | 77% | 0.767 | S | S | * | * | trans | -72.7 | 128.1 | -171.3 | -160.3 | 143.7 | 84.1 | 0 | 0 | 111.6 | N5 | E3-N5 PolarHBondContact O-N 3.22Š| ||
| 4 | H | 54.7 | Low | 49.5 | Very low | 158 Ų | 158 | 142.9 Ų | 142.9 | 73% | 0.731 | 74% | 0.736 | S | S | * | * | trans | -76 | 102.6 | 178 | -169.3 | 79.6 | 0 | 0 | 0 | 109.3 | P6 | H4-P6 VanDerWaalsContact O-CD 3.27Å; H4-P6 WeakPolarHBondContact O-CD 3.33Å | ||
| 5 | N | 62.8 | Low | 49.4 | Very low | 116 Ų | 116 | 142.8 Ų | 142.8 | 62% | 0.62 | 75% | 0.745 | S | S | * | * | trans | -69.1 | 113.7 | 177.4 | -175.7 | -15.4 | 0 | 0 | 0 | 110.6 | E3 A7 | E3-N5 PolarHBondContact O-N 3.22Å; N5-A7 PolarHBondContact O-N 2.99Å; N5-A7 VanDerWaalsContact OD1-CB 3.31Å; N5-A7 WeakPolarHBondContact OD1-CB 3.35Å; N5-A7 PolarHBondContact OD1-N 3.01Å | ||
| 6 | P | 56 | Low | 49.2 | Very low | 120 Ų | 120 | 141.1 Ų | 141.1 | 78% | 0.779 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -1.3 | -175.6 | 32.1 | -35.9 | 0 | 0 | 0 | 114.1 | H4 | H4-P6 VanDerWaalsContact O-CD 3.27Å; H4-P6 WeakPolarHBondContact O-CD 3.33Å |
| 7 | A | 49.6 | Very low | 48.9 | Very low | 79 Ų | 79 | 135.8 Ų | 135.8 | 65% | 0.653 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | 2.6 | -176 | 0 | 0 | 0 | 0 | 0 | 114.8 | N5 P9 | N5-A7 PolarHBondContact O-N 2.99Å; N5-A7 VanDerWaalsContact OD1-CB 3.31Å; N5-A7 WeakPolarHBondContact OD1-CB 3.35Å; N5-A7 PolarHBondContact OD1-N 3.01Å; A7-P9 VanDerWaalsContact O-CD 3.3Å; A7-P9 WeakPolarHBondContact O-CD 3.27Å |
| 8 | R | 46.8 | Very low | 49.3 | Very low | 216 Ų | 216 | 134.2 Ų | 134.2 | 82% | 0.815 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -77.4 | 119.6 | 171.9 | -163.7 | 177.7 | -170.4 | -165.8 | 3.2 | 107.9 | Q10 | R8-Q10 VanDerWaalsContact C-N 3.34Å; R8-Q10 PolarHBondContact O-N 3.43Å |
| 9 | P | 50 | Low | 50.8 | Low | 101 Ų | 101 | 130.2 Ų | 130.2 | 66% | 0.656 | 70% | 0.703 | S | S | * | * | trans | -60 | 101.5 | 173.8 | -19.6 | 32 | 0 | 0 | 0 | 108.2 | A7 R11 | A7-P9 VanDerWaalsContact O-CD 3.3Å; A7-P9 WeakPolarHBondContact O-CD 3.27Å; P9-R11 PolarHBondContact O-N 3.17Å | ||
| 10 | Q | 48.2 | Very low | 52.7 | Low | 157 Ų | 157 | 124.4 Ų | 124.4 | 73% | 0.734 | 67% | 0.672 | S | S | * | * | trans | -56.6 | 114.4 | 166.1 | -80.2 | -91.8 | -3.2 | 0 | 0 | 105.2 | R8 K12 | R8-Q10 VanDerWaalsContact C-N 3.34Å; R8-Q10 PolarHBondContact O-N 3.43Å; Q10-K12 VanDerWaalsContact C-N 3.29Å; Q10-K12 PolarHBondContact O-N 3.36Å | ||
| 11 | R | 50.1 | Low | 54.5 | Low | 162 Ų | 162 | 118.6 Ų | 118.6 | 61% | 0.611 | 64% | 0.641 | S | S | * | * | trans | -60.5 | 97.9 | 178.3 | -154.2 | 176.7 | -169.4 | 145.8 | 3.9 | 106.3 | P9 M13 N66 | P9-R11 PolarHBondContact O-N 3.17Å; R11-M13 PolarHBondContact O-N 3.43Å; R11-N66 VanDerWaalsContact NH2-CG 3.28Å; R11-N66 PolarHBondContact NH2-ND2 3.37Å; R11-N66 PolarHBondContact NH2-OD1 3.25Å | ||
| 12 | K | 45.7 | Very low | 56.7 | Low | 182 Ų | 182 | 113.7 Ų | 113.7 | 79% | 0.791 | 61% | 0.612 | S | S | * | * | trans | -58.7 | 107.1 | 178.5 | -76.4 | -179.6 | 178.6 | 178.5 | 0 | 106.3 | Q10 S14 | Q10-K12 VanDerWaalsContact C-N 3.29Å; Q10-K12 PolarHBondContact O-N 3.36Å; K12-S14 PolarHBondContact O-N 3.35Å; K12-S14 PolarHBondContact O-OG 2.92Å; K12-S14 VanDerWaalsContact O-OG 3.11Å | ||
| 13 | M | 47.2 | Very low | 58.9 | Low | 108 Ų | 108 | 109.9 Ų | 109.9 | 53% | 0.532 | 58% | 0.578 | S | S | . | * | trans | -69.7 | 76.5 | 171.4 | -63.4 | -160.4 | -176.6 | 0 | 0 | 107.5 | R11 M86 Y89 | R11-M13 PolarHBondContact O-N 3.43Å; M13-M86 HydrophobicContact CB-CE 4.13Å; M13-M86 HydrophobicContact CG-CE 4.13Å; M13-M86 HydrophobicContact SD-CE 3.3Å; M13-M86 WeakPolarHBondContact SD-CE 3.43Å; M13-Y89 HydrophobicContact CE-CD1 4.06Å; M13-Y89 HydrophobicContact CE-CD2 3.49Å; M13-Y89 VanDerWaalsContact CE-CD2 3.49Å; M13-Y89 HydrophobicContact CE-CE1 3.96Å; M13-Y89 HydrophobicContact CE-CE2 3.38Å; M13-Y89 HydrophobicContact CE-CG 3.83Å | ||
| 14 | S | 45.4 | Very low | 61 | Low | 48 Ų | 48 | 101 Ų | 101 | 34% | 0.336 | 54% | 0.536 | S | S | . | . | trans | -85.9 | 118.3 | -179.3 | -47.4 | 0 | 0 | 0 | 0 | 105.7 | K12 S16 G17 | K12-S14 PolarHBondContact O-N 3.35Å; K12-S14 PolarHBondContact O-OG 2.92Å; K12-S14 VanDerWaalsContact O-OG 3.11Å; S14-S16 PolarHBondContact O-N 3.35Å; S14-G17 VanDerWaalsContact CB-N 3.26Å; S14-G17 PolarHBondContact O-N 3.04Å | ||
| 15 | T | 48 | Very low | 62.7 | Low | 141 Ų | 141 | 96.6 Ų | 96.6 | 87% | 0.865 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -3.2 | 167.2 | 12.4 | 0 | 0 | 0 | 0 | 112.8 | ||
| 16 | S | 47.1 | Very low | 64 | Low | 116 Ų | 116 | 92.9 Ų | 92.9 | 81% | 0.811 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -147.7 | 19.6 | 176 | -61.5 | 0 | 0 | 0 | 0 | 115.1 | S14 E18 | S14-S16 PolarHBondContact O-N 3.35Å; S16-E18 PolarHBondContact O-N 3.49Å; S16-E18 VanDerWaalsContact O-N 3.11Å |
| 17 | G | 44.6 | Very low | 65.5 | Low | 50 Ų | 50 | 95.3 Ų | 95.3 | 52% | 0.515 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -77.8 | 102 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111 | S14 | S14-G17 VanDerWaalsContact CB-N 3.26Å; S14-G17 PolarHBondContact O-N 3.04Å |
| 18 | E | 55.5 | Low | 67.2 | Low | 108 Ų | 108 | 98.3 Ų | 98.3 | 51% | 0.505 | 51% | 0.513 | S | S | . | . | trans | 36.5 | 96.4 | 174.5 | -61.6 | -174.9 | -176.9 | 0 | 0 | 114.2 | S16 V20 V23 K60 | S16-E18 PolarHBondContact O-N 3.49Å; S16-E18 VanDerWaalsContact O-N 3.11Å; E18-V20 PolarHBondContact O-N 3Å; E18-V23 HydrophobicContact CB-CG2 4.19Å; E18-K60 IonicContact OE2-NZ 3.7Å | ||
| 19 | T | 77.4 | Confident | 68.9 | Low | 57 Ų | 57 | 90.8 Ų | 90.8 | 35% | 0.35 | 50% | 0.503 | S | S | . | . | trans | -48.9 | 138.1 | 178.9 | 58.1 | 0 | 0 | 0 | 0 | 110.2 | Y21 K22 V23 Y80 | T19-Y21 CarbonylContact O-C 3.24Å; T19-Y21 PolarHBondContact O-N 3.21Å; T19-K22 WeakPolarHBondContact O-CA 3.46Å; T19-K22 VanDerWaalsContact O-CB 3.31Å; T19-K22 WeakPolarHBondContact O-CB 3.36Å; T19-K22 PolarHBondContact O-N 2.84Å; T19-K22 WeakPolarHBondContact OG1-CB 3.31Å; T19-K22 VanDerWaalsContact OG1-CD 3.28Å; T19-K22 WeakPolarHBondContact OG1-CD 3.33Å; T19-K22 WeakPolarHBondContact OG1-CG 3.3Å; T19-K22 PolarHBondContact OG1-N 3.2Å; T19-V23 PolarHBondContact O-N 2.88Å; T19-Y80 VanDerWaalsContact CA-OH 3.27Å; T19-Y80 WeakPolarHBondContact CA-OH 3.42Å | ||
| 20 | V | 88.8 | Confident | 70.7 | Confident | 14 Ų | 14 | 86.5 Ų | 86.5 | 9% | 0.085 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -48.9 | -33.8 | -176.5 | -178.2 | 0 | 0 | 0 | 0 | 112.2 | E18 A67 I70 L71 Y80 | E18-V20 PolarHBondContact O-N 3Å; V20-A67 HydrophobicContact CG1-CB 3.61Å; V20-I70 HydrophobicContact CG1-CB 4.09Å; V20-I70 HydrophobicContact CG1-CD1 4.19Å; V20-I70 HydrophobicContact CG1-CG2 4.16Å; V20-I70 HydrophobicContact CG2-CD1 3.98Å; V20-L71 HydrophobicContact CB-CD2 4.45Å; V20-L71 HydrophobicContact CG1-CD1 4.09Å; V20-L71 HydrophobicContact CG1-CD2 3.94Å; V20-L71 HydrophobicContact CG1-CG 3.68Å; V20-Y80 HydrophobicContact CB-CD1 4.38Å; V20-Y80 HydrophobicContact CB-CE1 3.87Å; V20-Y80 HydrophobicContact CB-CE2 4.38Å; V20-Y80 HydrophobicContact CG2-CD1 4.21Å; V20-Y80 HydrophobicContact CG2-CD2 3.9Å; V20-Y80 HydrophobicContact CG2-CE1 3.78Å; V20-Y80 HydrophobicContact CG2-CE2 3.39Å; V20-Y80 HydrophobicContact CG2-CG 4.25Å; V20-Y80 PolarHBondContact N-OH 3.22Å; V20-Y80 VanDerWaalsContact N-OH 3.08Å |
| 21 | Y | 90.3 | Very high | 72.8 | Confident | 4 Ų | 4 | 81.7 Ų | 81.7 | 2% | 0.016 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -66.7 | -41.6 | 172.1 | -60.4 | -85.9 | 0 | 0 | 0 | 113.9 | T19 V23 L24 G25 L26 E27 K28 L71 R77 Y80 D81 | T19-Y21 CarbonylContact O-C 3.24Å; T19-Y21 PolarHBondContact O-N 3.21Å; Y21-V23 VanDerWaalsContact C-N 3.33Å; Y21-V23 PolarHBondContact O-N 2.77Å; Y21-L24 CarbonylContact O-C 3.51Å; Y21-L24 PolarHBondContact O-N 3.46Å; Y21-L24 VanDerWaalsContact O-N 3.16Å; Y21-G25 PolarHBondContact O-N 3.05Å; Y21-G25 VanDerWaalsContact O-N 3.08Å; Y21-L26 CarbonylContact C-O 3.52Å; Y21-L26 WeakPolarHBondContact CB-O 3.42Å; Y21-L26 PolarHBondContact O-N 2.76Å; Y21-E27 WeakPolarHBondContact CD1-O 3.34Å; Y21-K28 HydrophobicContact CD2-CB 4.44Å; Y21-K28 HydrophobicContact CD2-CG 4.34Å; Y21-K28 HydrophobicContact CE2-CB 4.47Å; Y21-K28 HydrophobicContact CE2-CG 3.92Å; Y21-L71 HydrophobicContact CD1-CD1 3.69Å; Y21-L71 HydrophobicContact CD1-CD2 4.08Å; Y21-L71 HydrophobicContact CD2-CD2 4.36Å; Y21-L71 HydrophobicContact CE1-CD1 3.87Å; Y21-L71 HydrophobicContact CE1-CD2 3.55Å; Y21-L71 HydrophobicContact CE1-CG 4.36Å; Y21-L71 HydrophobicContact CE2-CD2 3.87Å; Y21-L71 HydrophobicContact CG-CD1 4.23Å; Y21-L71 HydrophobicContact CG-CD2 4.46Å; Y21-L71 VanDerWaalsContact CZ-CD2 3.45Å; Y21-R77 PolarHBondContact OH-NE 3.07Å; Y21-R77 VanDerWaalsContact OH-NE 3.1Å; Y21-Y80 HydrophobicContact CD2-CE1 4.08Å; Y21-Y80 HydrophobicContact CE2-CD1 4.09Å; Y21-Y80 AromaticContact CE2-CE1 3.91Å; Y21-Y80 HydrophobicContact CE2-CE1 3.91Å; Y21-D81 WeakPolarHBondContact CE2-OD1 3.39Å; Y21-D81 PolarHBondContact OH-OD1 3.14Å; Y21-D81 PolarHBondContact OH-OD2 3.37Å; Y21-D81 VanDerWaalsContact OH-OD2 3.06Å |
| 22 | K | 90.2 | Very high | 74.7 | Confident | 147 Ų | 147 | 76.4 Ų | 76.4 | 64% | 0.639 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -62.4 | -35.5 | 176.1 | -80.5 | 174.8 | -176 | -173.1 | 0 | 113 | T19 L24 G25 | T19-K22 WeakPolarHBondContact O-CA 3.46Å; T19-K22 VanDerWaalsContact O-CB 3.31Å; T19-K22 WeakPolarHBondContact O-CB 3.36Å; T19-K22 PolarHBondContact O-N 2.84Å; T19-K22 WeakPolarHBondContact OG1-CB 3.31Å; T19-K22 VanDerWaalsContact OG1-CD 3.28Å; T19-K22 WeakPolarHBondContact OG1-CD 3.33Å; T19-K22 WeakPolarHBondContact OG1-CG 3.3Å; T19-K22 PolarHBondContact OG1-N 3.2Å; K22-L24 PolarHBondContact O-N 3.13Å; K22-G25 PolarHBondContact O-N 3.21Å |
| 23 | V | 91.3 | Very high | 77 | Confident | 30 Ų | 30 | 73.5 Ų | 73.5 | 18% | 0.182 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -58.4 | -37.4 | 175.4 | 177.9 | 0 | 0 | 0 | 0 | 111 | E18 T19 Y21 G25 E63 I64 A67 | E18-V23 HydrophobicContact CB-CG2 4.19Å; T19-V23 PolarHBondContact O-N 2.88Å; Y21-V23 VanDerWaalsContact C-N 3.33Å; Y21-V23 PolarHBondContact O-N 2.77Å; V23-G25 VanDerWaalsContact C-N 3.35Å; V23-E63 HydrophobicContact CG1-CB 3.89Å; V23-I64 HydrophobicContact CG1-CG1 4.16Å; V23-A67 HydrophobicContact CB-CB 4.02Å; V23-A67 HydrophobicContact CG1-CB 3.98Å |
| 24 | L | 90.9 | Very high | 79.2 | Confident | 6 Ų | 6 | 73 Ų | 73 | 3% | 0.031 | 44% | 0.436 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -3.5 | 175.5 | -73.8 | 151.2 | 0 | 0 | 0 | 113.3 | Y21 K22 L26 I35 A38 L42 I64 A67 L71 | Y21-L24 CarbonylContact O-C 3.51Å; Y21-L24 PolarHBondContact O-N 3.46Å; Y21-L24 VanDerWaalsContact O-N 3.16Å; K22-L24 PolarHBondContact O-N 3.13Å; L24-L26 VanDerWaalsContact C-N 3.32Å; L24-L26 HydrophobicContact CB-CD1 4.11Å; L24-L26 HydrophobicContact CB-CG 4.21Å; L24-I35 HydrophobicContact CD1-CG2 4.42Å; L24-A38 HydrophobicContact CB-CB 4.37Å; L24-A38 HydrophobicContact CD2-CB 4.29Å; L24-L42 HydrophobicContact CD2-CD1 4.37Å; L24-I64 HydrophobicContact CD2-CG2 4.43Å; L24-A67 HydrophobicContact CD1-CB 3.82Å; L24-A67 HydrophobicContact CG-CB 4.19Å; L24-L71 HydrophobicContact CD1-CD1 3.55Å; L24-L71 HydrophobicContact CD1-CG 4.48Å |
| 25 | G | 90.1 | Very high | 81.4 | Confident | 67 Ų | 67 | 70.8 Ų | 70.8 | 69% | 0.691 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.2 | 29.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y21 K22 V23 | Y21-G25 PolarHBondContact O-N 3.05Å; Y21-G25 VanDerWaalsContact O-N 3.08Å; K22-G25 PolarHBondContact O-N 3.21Å; V23-G25 VanDerWaalsContact C-N 3.35Å |
| 26 | L | 90.4 | Very high | 83.6 | Confident | 38 Ų | 38 | 67.8 Ų | 67.8 | 20% | 0.199 | 40% | 0.396 | C | S | . | . | trans | -112.4 | 158.7 | -178.6 | -64.9 | 174.9 | 0 | 0 | 0 | 111.4 | Y21 L24 A30 E34 I35 A38 | Y21-L26 CarbonylContact C-O 3.52Å; Y21-L26 WeakPolarHBondContact CB-O 3.42Å; Y21-L26 PolarHBondContact O-N 2.76Å; L24-L26 VanDerWaalsContact C-N 3.32Å; L24-L26 HydrophobicContact CB-CD1 4.11Å; L24-L26 HydrophobicContact CB-CG 4.21Å; L26-A30 HydrophobicContact CB-CB 4.09Å; L26-A30 HydrophobicContact CD1-CB 4.08Å; L26-A30 HydrophobicContact CD2-CB 4.46Å; L26-A30 HydrophobicContact CG-CB 4.45Å; L26-E34 HydrophobicContact CD2-CB 4.42Å; L26-I35 HydrophobicContact CD1-CB 4.29Å; L26-I35 HydrophobicContact CD1-CG1 3.78Å; L26-A38 HydrophobicContact CD1-CB 3.84Å; L26-A38 HydrophobicContact CD2-CB 4.21Å; L26-A38 HydrophobicContact CG-CB 4.04Å | ||
| 27 | E | 87.8 | Confident | 85.9 | Confident | 170 Ų | 170 | 68.1 Ų | 68.1 | 79% | 0.794 | 38% | 0.383 | S | S | * | . | trans | -86.9 | 159 | 169.9 | -66.2 | -164.6 | 149.1 | 0 | 0 | 111.8 | Y21 G29 A30 | Y21-E27 WeakPolarHBondContact CD1-O 3.34Å; E27-G29 PolarHBondContact O-N 3.01Å; E27-A30 PolarHBondContact O-N 3.35Å | ||
| 28 | K | 84.8 | Confident | 88.3 | Confident | 142 Ų | 142 | 66.5 Ų | 66.5 | 62% | 0.617 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 126.5 | 174.9 | -166.3 | -179.4 | -174.5 | -178.7 | 0 | 108.3 | Y21 D81 | Y21-K28 HydrophobicContact CD2-CB 4.44Å; Y21-K28 HydrophobicContact CD2-CG 4.34Å; Y21-K28 HydrophobicContact CE2-CB 4.47Å; Y21-K28 HydrophobicContact CE2-CG 3.92Å; K28-D81 WeakPolarHBondContact CE-OD1 3.34Å; K28-D81 PolarHBondContact NZ-O 3.48Å |
| 29 | G | 82.7 | Confident | 90.3 | Very high | 59 Ų | 59 | 64 Ų | 64 | 61% | 0.608 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.1 | 1.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115 | E27 | E27-G29 PolarHBondContact O-N 3.01Š|
| 30 | A | 88.1 | Confident | 91.1 | Very high | 11 Ų | 11 | 68 Ų | 68 | 9% | 0.091 | 36% | 0.359 | C | S | . | . | trans | -53 | 144.4 | 172 | 0 | 0 | 0 | 0 | 0 | 112.5 | L26 E27 E34 I35 R77 | L26-A30 HydrophobicContact CB-CB 4.09Å; L26-A30 HydrophobicContact CD1-CB 4.08Å; L26-A30 HydrophobicContact CD2-CB 4.46Å; L26-A30 HydrophobicContact CG-CB 4.45Å; E27-A30 PolarHBondContact O-N 3.35Å; A30-E34 HydrophobicContact CB-CB 4.4Å; A30-I35 HydrophobicContact CB-CG1 4.37Å; A30-R77 PolarHBondContact O-NH1 3.03Å; A30-R77 VanDerWaalsContact O-NH1 3.1Å; A30-R77 PolarHBondContact O-NH2 3.46Å | ||
| 31 | S | 92 | Very high | 91.4 | Very high | 55 Ų | 55 | 74 Ų | 74 | 39% | 0.385 | 38% | 0.384 | S | S | . | . | trans | -70.1 | 156.6 | 177.8 | 64.4 | 0 | 0 | 0 | 0 | 111.6 | E33 E34 I35 | S31-E33 PolarHBondContact O-N 3.12Å; S31-E34 PolarHBondContact N-OE2 3.29Å; S31-E34 PolarHBondContact O-N 3.5Å; S31-E34 VanDerWaalsContact O-N 3.14Å; S31-E34 VanDerWaalsContact OG-CD 3.22Å; S31-E34 VanDerWaalsContact OG-CG 3.23Å; S31-E34 WeakPolarHBondContact OG-CG 3.43Å; S31-E34 PolarHBondContact OG-N 2.88Å; S31-E34 PolarHBondContact OG-OE2 3.17Å; S31-I35 WeakPolarHBondContact O-CG1 3.29Å; S31-I35 PolarHBondContact O-N 3.11Å | ||
| 32 | A | 91.3 | Very high | 91.6 | Very high | 51 Ų | 51 | 75.6 Ų | 75.6 | 42% | 0.421 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -58 | -33.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I35 K36 | A32-I35 PolarHBondContact O-N 2.72Å; A32-K36 WeakPolarHBondContact O-CG 3.36Å; A32-K36 PolarHBondContact O-N 2.88Å |
| 33 | E | 93.1 | Very high | 91.8 | Very high | 121 Ų | 121 | 69.2 Ų | 69.2 | 57% | 0.565 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -67.9 | -40.7 | 177.3 | -67.2 | -55.7 | 126.3 | 0 | 0 | 112.3 | S31 K36 K37 | S31-E33 PolarHBondContact O-N 3.12Å; E33-K36 PolarHBondContact O-N 3.24Å; E33-K36 IonicContact OE1-NZ 3.91Å; E33-K37 WeakPolarHBondContact O-CB 3.11Å; E33-K37 PolarHBondContact O-N 3.43Å |
| 34 | E | 92.9 | Very high | 91.9 | Very high | 98 Ų | 98 | 73.3 Ų | 73.3 | 46% | 0.458 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.3 | -41.7 | 174.8 | -72.9 | 164.7 | 150.8 | 0 | 0 | 111.7 | L26 A30 S31 K37 A38 | L26-E34 HydrophobicContact CD2-CB 4.42Å; A30-E34 HydrophobicContact CB-CB 4.4Å; S31-E34 PolarHBondContact N-OE2 3.29Å; S31-E34 PolarHBondContact O-N 3.5Å; S31-E34 VanDerWaalsContact O-N 3.14Å; S31-E34 VanDerWaalsContact OG-CD 3.22Å; S31-E34 VanDerWaalsContact OG-CG 3.23Å; S31-E34 WeakPolarHBondContact OG-CG 3.43Å; S31-E34 PolarHBondContact OG-N 2.88Å; S31-E34 PolarHBondContact OG-OE2 3.17Å; E34-K37 PolarHBondContact O-N 3.14Å; E34-A38 WeakPolarHBondContact O-CB 3.49Å; E34-A38 PolarHBondContact O-N 3Å |
| 35 | I | 93.2 | Very high | 92 | Very high | 1 Ų | 1 | 79.2 Ų | 79.2 | 1% | 0.005 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -57.9 | -51.6 | 175.2 | -67.1 | 158.5 | 0 | 0 | 0 | 110.4 | L24 L26 A30 S31 A32 K37 A38 Y39 L71 | L24-I35 HydrophobicContact CD1-CG2 4.42Å; L26-I35 HydrophobicContact CD1-CB 4.29Å; L26-I35 HydrophobicContact CD1-CG1 3.78Å; A30-I35 HydrophobicContact CB-CG1 4.37Å; S31-I35 WeakPolarHBondContact O-CG1 3.29Å; S31-I35 PolarHBondContact O-N 3.11Å; A32-I35 PolarHBondContact O-N 2.72Å; I35-K37 VanDerWaalsContact C-N 3.3Å; I35-K37 PolarHBondContact O-N 3.14Å; I35-A38 PolarHBondContact O-N 3.28Å; I35-Y39 WeakPolarHBondContact O-CB 3.27Å; I35-Y39 PolarHBondContact O-N 3.11Å; I35-L71 HydrophobicContact CD1-CB 3.96Å; I35-L71 HydrophobicContact CD1-CD1 4.36Å; I35-L71 HydrophobicContact CG1-CB 4.42Å; I35-L71 HydrophobicContact CG1-CD1 4.26Å; I35-L71 HydrophobicContact CG2-CB 3.91Å; I35-L71 HydrophobicContact CG2-CD1 4.44Å |
| 36 | K | 94.1 | Very high | 92.2 | Very high | 78 Ų | 78 | 79 Ų | 79 | 34% | 0.339 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.2 | -37.7 | 177.3 | -71.2 | 172.7 | -171 | 167.9 | 0 | 112.3 | A32 E33 R40 | A32-K36 WeakPolarHBondContact O-CG 3.36Å; A32-K36 PolarHBondContact O-N 2.88Å; E33-K36 PolarHBondContact O-N 3.24Å; E33-K36 IonicContact OE1-NZ 3.91Å; K36-R40 WeakPolarHBondContact O-CB 3.18Å; K36-R40 VanDerWaalsContact O-CG 3.28Å; K36-R40 WeakPolarHBondContact O-CG 3.46Å; K36-R40 PolarHBondContact O-N 3.31Å; K36-R40 VanDerWaalsContact O-N 3.11Å; K36-R40 PolarHBondContact O-NE 2.95Å; K36-R40 VanDerWaalsContact O-NE 3.08Å |
| 37 | K | 95.3 | Very high | 92.3 | Very high | 124 Ų | 124 | 80.8 Ų | 80.8 | 54% | 0.539 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -69.1 | -43.9 | 178.7 | -171.2 | 177.5 | -177 | 178.4 | 0 | 111.6 | E33 E34 I35 K41 | E33-K37 WeakPolarHBondContact O-CB 3.11Å; E33-K37 PolarHBondContact O-N 3.43Å; E34-K37 PolarHBondContact O-N 3.14Å; I35-K37 VanDerWaalsContact C-N 3.3Å; I35-K37 PolarHBondContact O-N 3.14Å; K37-K41 WeakPolarHBondContact O-CG 3.39Å; K37-K41 PolarHBondContact O-N 3.43Å |
| 38 | A | 95.3 | Very high | 92.5 | Very high | 15 Ų | 15 | 75.9 Ų | 75.9 | 12% | 0.124 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.1 | -46.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | L24 L26 E34 I35 R40 K41 L42 | L24-A38 HydrophobicContact CB-CB 4.37Å; L24-A38 HydrophobicContact CD2-CB 4.29Å; L26-A38 HydrophobicContact CD1-CB 3.84Å; L26-A38 HydrophobicContact CD2-CB 4.21Å; L26-A38 HydrophobicContact CG-CB 4.04Å; E34-A38 WeakPolarHBondContact O-CB 3.49Å; E34-A38 PolarHBondContact O-N 3Å; I35-A38 PolarHBondContact O-N 3.28Å; A38-R40 PolarHBondContact O-N 3.24Å; A38-K41 PolarHBondContact O-N 3.35Å; A38-L42 WeakPolarHBondContact O-CG 3.31Å; A38-L42 PolarHBondContact O-N 2.93Å |
| 39 | Y | 95.4 | Very high | 92.9 | Very high | 55 Ų | 55 | 75.3 Ų | 75.3 | 22% | 0.216 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -55 | -51.6 | 175.5 | 172.8 | -107.2 | 0 | 0 | 0 | 111.6 | I35 K41 L42 A43 I64 N68 | I35-Y39 WeakPolarHBondContact O-CB 3.27Å; I35-Y39 PolarHBondContact O-N 3.11Å; Y39-K41 VanDerWaalsContact C-N 3.32Å; Y39-K41 PolarHBondContact O-N 2.94Å; Y39-L42 PolarHBondContact O-N 2.69Å; Y39-A43 HydrophobicContact CE1-CB 4.46Å; Y39-A43 HydrophobicContact CE2-CB 4.26Å; Y39-A43 WeakPolarHBondContact O-CB 3.35Å; Y39-A43 PolarHBondContact O-N 3.23Å; Y39-I64 HydrophobicContact CD2-CG2 3.58Å; Y39-I64 HydrophobicContact CE2-CG2 3.9Å; Y39-N68 HydrophobicContact CD2-CB 3.39Å; Y39-N68 HydrophobicContact CE2-CB 3.85Å; Y39-N68 HydrophobicContact CG-CB 3.84Å |
| 40 | R | 95.1 | Very high | 93.3 | Very high | 141 Ų | 141 | 79.4 Ų | 79.4 | 53% | 0.532 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -57.2 | -42.8 | 179.4 | -76.7 | 179.6 | -73.2 | -160.6 | 0.6 | 112.7 | K36 A38 L44 | K36-R40 WeakPolarHBondContact O-CB 3.18Å; K36-R40 VanDerWaalsContact O-CG 3.28Å; K36-R40 WeakPolarHBondContact O-CG 3.46Å; K36-R40 PolarHBondContact O-N 3.31Å; K36-R40 VanDerWaalsContact O-N 3.11Å; K36-R40 PolarHBondContact O-NE 2.95Å; K36-R40 VanDerWaalsContact O-NE 3.08Å; A38-R40 PolarHBondContact O-N 3.24Å; R40-L44 WeakPolarHBondContact O-CG 3.48Å; R40-L44 PolarHBondContact O-N 3.02Å |
| 41 | K | 95.3 | Very high | 93.5 | Very high | 140 Ų | 140 | 81.1 Ų | 81.1 | 61% | 0.609 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -64 | -46.1 | 178.4 | -73.7 | 178.4 | 176.3 | -172.9 | 0 | 112.1 | K37 A38 Y39 K45 | K37-K41 WeakPolarHBondContact O-CG 3.39Å; K37-K41 PolarHBondContact O-N 3.43Å; A38-K41 PolarHBondContact O-N 3.35Å; Y39-K41 VanDerWaalsContact C-N 3.32Å; Y39-K41 PolarHBondContact O-N 2.94Å; K41-K45 PolarHBondContact O-N 3.47Å |
| 42 | L | 94.3 | Very high | 93.4 | Very high | 39 Ų | 39 | 83.2 Ų | 83.2 | 20% | 0.204 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -74.5 | -37.8 | -177.3 | -68.3 | 171.9 | 0 | 0 | 0 | 112 | L24 A38 Y39 L44 K45 Y46 I64 | L24-L42 HydrophobicContact CD2-CD1 4.37Å; A38-L42 WeakPolarHBondContact O-CG 3.31Å; A38-L42 PolarHBondContact O-N 2.93Å; Y39-L42 PolarHBondContact O-N 2.69Å; L42-L44 VanDerWaalsContact C-N 3.32Å; L42-L44 PolarHBondContact O-N 3.3Å; L42-K45 PolarHBondContact O-N 3.16Å; L42-K45 VanDerWaalsContact O-N 3.14Å; L42-Y46 HydrophobicContact CD2-CE2 4.14Å; L42-Y46 WeakPolarHBondContact O-CD2 3.11Å; L42-Y46 PolarHBondContact O-N 2.92Å; L42-I64 HydrophobicContact CB-CD1 3.71Å; L42-I64 HydrophobicContact CB-CG1 4.2Å; L42-I64 HydrophobicContact CB-CG2 4.1Å; L42-I64 HydrophobicContact CD1-CG1 4.39Å |
| 43 | A | 93.6 | Very high | 93.4 | Very high | 13 Ų | 13 | 88.1 Ų | 88.1 | 11% | 0.107 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -61.1 | -40.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y39 H47 F61 | Y39-A43 HydrophobicContact CE1-CB 4.46Å; Y39-A43 HydrophobicContact CE2-CB 4.26Å; Y39-A43 WeakPolarHBondContact O-CB 3.35Å; Y39-A43 PolarHBondContact O-N 3.23Å; A43-H47 WeakPolarHBondContact O-CA 3.43Å; A43-H47 VanDerWaalsContact O-CB 3.29Å; A43-H47 WeakPolarHBondContact O-CB 3.27Å; A43-H47 PolarHBondContact O-N 2.86Å; A43-F61 HydrophobicContact CB-CE2 4.03Å |
| 44 | L | 93.8 | Very high | 93.3 | Very high | 115 Ų | 115 | 85.6 Ų | 85.6 | 60% | 0.602 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -67.9 | -35.5 | 174.4 | -73.3 | 168.6 | 0 | 0 | 0 | 112.6 | R40 L42 | R40-L44 WeakPolarHBondContact O-CG 3.48Å; R40-L44 PolarHBondContact O-N 3.02Å; L42-L44 VanDerWaalsContact C-N 3.32Å; L42-L44 PolarHBondContact O-N 3.3Å |
| 45 | K | 92.8 | Very high | 93.1 | Very high | 130 Ų | 130 | 85.3 Ų | 85.3 | 57% | 0.565 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -69.6 | -43.2 | 179.9 | -174.6 | 178 | 179.1 | -176.6 | 0 | 112 | K41 L42 N51 | K41-K45 PolarHBondContact O-N 3.47Å; L42-K45 PolarHBondContact O-N 3.16Å; L42-K45 VanDerWaalsContact O-N 3.14Å; K45-N51 PolarHBondContact O-ND2 3.3Å |
| 46 | Y | 94.5 | Very high | 92.9 | Very high | 62 Ų | 62 | 90.4 Ų | 90.4 | 24% | 0.243 | 45% | 0.45 | C | S | . | . | S | Bend | trans | -104.1 | 18.6 | -176.3 | -61.9 | -71.9 | 0 | 0 | 0 | 113.2 | L42 A57 K60 F61 I64 | L42-Y46 HydrophobicContact CD2-CE2 4.14Å; L42-Y46 WeakPolarHBondContact O-CD2 3.11Å; L42-Y46 PolarHBondContact O-N 2.92Å; Y46-A57 HydrophobicContact CD1-CB 4.06Å; Y46-K60 HydrophobicContact CD1-CB 4.12Å; Y46-K60 HydrophobicContact CD2-CB 4.46Å; Y46-K60 HydrophobicContact CE1-CB 4.33Å; Y46-K60 HydrophobicContact CG-CB 4.19Å; Y46-F61 WeakPolarHBondContact O-CD2 3.28Å; Y46-I64 HydrophobicContact CD2-CD1 3.47Å; Y46-I64 VanDerWaalsContact CD2-CD1 3.47Å; Y46-I64 HydrophobicContact CE2-CD1 4.1Å; Y46-I64 HydrophobicContact CG-CD1 4.24Å |
| 47 | H | 93.2 | Very high | 92.7 | Very high | 77 Ų | 77 | 86.8 Ų | 86.8 | 36% | 0.356 | 44% | 0.435 | S | S | . | . | trans | -61 | 136.3 | 179.6 | -163.7 | -89.8 | 0 | 0 | 0 | 110.4 | A43 D49 K50 N51 | A43-H47 WeakPolarHBondContact O-CA 3.43Å; A43-H47 VanDerWaalsContact O-CB 3.29Å; A43-H47 WeakPolarHBondContact O-CB 3.27Å; A43-H47 PolarHBondContact O-N 2.86Å; H47-D49 VanDerWaalsContact C-N 3.27Å; H47-D49 WeakPolarHBondContact ND1-CB 3.41Å; H47-D49 PolarHBondContact ND1-N 3.45Å; H47-D49 VanDerWaalsContact ND1-N 3.17Å; H47-D49 PolarHBondContact O-N 2.89Å; H47-K50 PolarHBondContact O-N 2.86Å; H47-K50 VanDerWaalsContact O-N 3.14Å; H47-N51 PolarHBondContact O-N 3.48Å; H47-N51 PolarHBondContact O-ND2 3.44Å | ||
| 48 | P | 91.7 | Very high | 92.5 | Very high | 67 Ų | 67 | 82.9 Ų | 82.9 | 44% | 0.435 | 43% | 0.426 | S | S | . | . | G | 310 helix | trans | -61.4 | -33.6 | -177.7 | 22.8 | -34 | 0 | 0 | 0 | 113.1 | K50 N51 P52 | P48-K50 VanDerWaalsContact C-N 3.32Å; P48-K50 PolarHBondContact O-N 3.08Å; P48-N51 CarbonylContact O-C 3.32Å; P48-N51 VanDerWaalsContact O-C 3.24Å; P48-N51 PolarHBondContact O-N 3.42Å; P48-P52 WeakPolarHBondContact O-CA 3.3Å; P48-P52 VanDerWaalsContact O-N 3.13Å |
| 49 | D | 92.7 | Very high | 92.2 | Very high | 129 Ų | 129 | 87 Ų | 87 | 69% | 0.69 | 44% | 0.442 | S | S | * | . | G | 310 helix | trans | -57.7 | -41.1 | 175.2 | -173.4 | -73.3 | 0 | 0 | 0 | 113 | H47 | H47-D49 VanDerWaalsContact C-N 3.27Å; H47-D49 WeakPolarHBondContact ND1-CB 3.41Å; H47-D49 PolarHBondContact ND1-N 3.45Å; H47-D49 VanDerWaalsContact ND1-N 3.17Å; H47-D49 PolarHBondContact O-N 2.89Å |
| 50 | K | 92.1 | Very high | 92 | Very high | 146 Ų | 146 | 87.7 Ų | 87.7 | 64% | 0.635 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -84.4 | -15.2 | -179.3 | -67.6 | -178.4 | 178.5 | -66.2 | 0 | 113 | H47 P48 P52 | H47-K50 PolarHBondContact O-N 2.86Å; H47-K50 VanDerWaalsContact O-N 3.14Å; P48-K50 VanDerWaalsContact C-N 3.32Å; P48-K50 PolarHBondContact O-N 3.08Å; K50-P52 VanDerWaalsContact C-CD 3.47Å |
| 51 | N | 92.5 | Very high | 91.8 | Very high | 47 Ų | 47 | 83.2 Ų | 83.2 | 25% | 0.251 | 43% | 0.431 | S | S | . | . | trans | -135.1 | 55.1 | -175 | -55.7 | -88.4 | 0 | 0 | 0 | 111.3 | K45 H47 P48 D53 N54 A57 | K45-N51 PolarHBondContact O-ND2 3.3Å; H47-N51 PolarHBondContact O-N 3.48Å; H47-N51 PolarHBondContact O-ND2 3.44Å; P48-N51 CarbonylContact O-C 3.32Å; P48-N51 VanDerWaalsContact O-C 3.24Å; P48-N51 PolarHBondContact O-N 3.42Å; N51-D53 VanDerWaalsContact C-N 3.3Å; N51-D53 PolarHBondContact O-N 3.38Å; N51-N54 HydrophobicContact CB-CB 4.3Å; N51-N54 PolarHBondContact O-N 2.94Å; N51-A57 HydrophobicContact CB-CB 3.69Å | ||
| 52 | P | 88.7 | Confident | 91.6 | Very high | 99 Ų | 99 | 83.5 Ų | 83.5 | 64% | 0.643 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -31 | -172.5 | 26 | -34 | 0 | 0 | 0 | 113.2 | P48 K50 | P48-P52 WeakPolarHBondContact O-CA 3.3Å; P48-P52 VanDerWaalsContact O-N 3.13Å; K50-P52 VanDerWaalsContact C-CD 3.47Å |
| 53 | D | 91.4 | Very high | 91.5 | Very high | 154 Ų | 154 | 85.1 Ų | 85.1 | 82% | 0.824 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | 3 | -175.4 | -52.6 | -63.9 | 0 | 0 | 0 | 113.8 | N51 P55 | N51-D53 VanDerWaalsContact C-N 3.3Å; N51-D53 PolarHBondContact O-N 3.38Å; D53-P55 WeakPolarHBondContact O-CD 3.36Å |
| 54 | N | 90.7 | Very high | 91.5 | Very high | 67 Ų | 67 | 84.7 Ų | 84.7 | 36% | 0.358 | 43% | 0.434 | S | S | . | . | trans | -108.1 | 101 | -175.4 | -170.6 | -20.1 | 0 | 0 | 0 | 111.5 | N51 D56 A57 A58 | N51-N54 HydrophobicContact CB-CB 4.3Å; N51-N54 PolarHBondContact O-N 2.94Å; N54-D56 VanDerWaalsContact C-N 3.28Å; N54-D56 PolarHBondContact O-N 3.44Å; N54-D56 WeakPolarHBondContact OD1-CB 3.38Å; N54-D56 PolarHBondContact OD1-N 3.41Å; N54-A57 HydrophobicContact CB-CB 3.95Å; N54-A57 PolarHBondContact O-N 2.93Å; N54-A57 PolarHBondContact OD1-N 3.2Å; N54-A58 PolarHBondContact O-N 2.96Å | ||
| 55 | P | 89.7 | Confident | 91.4 | Very high | 92 Ų | 92 | 82.5 Ų | 82.5 | 60% | 0.597 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -64.1 | -32.1 | 178.8 | 26.4 | -33.7 | 0 | 0 | 0 | 112.6 | D53 A57 A58 E59 | D53-P55 WeakPolarHBondContact O-CD 3.36Å; P55-A57 VanDerWaalsContact C-N 3.31Å; P55-A57 PolarHBondContact O-N 3.08Å; P55-A58 WeakPolarHBondContact O-CB 3.37Å; P55-A58 PolarHBondContact O-N 2.79Å; P55-A58 VanDerWaalsContact O-N 3.17Å; P55-E59 PolarHBondContact O-N 3.43Å |
| 56 | D | 89.6 | Confident | 91.3 | Very high | 108 Ų | 108 | 78.4 Ų | 78.4 | 58% | 0.578 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -66.1 | -36.3 | 178.7 | -57 | -37.6 | 0 | 0 | 0 | 111.2 | N54 A58 E59 K60 | N54-D56 VanDerWaalsContact C-N 3.28Å; N54-D56 PolarHBondContact O-N 3.44Å; N54-D56 WeakPolarHBondContact OD1-CB 3.38Å; N54-D56 PolarHBondContact OD1-N 3.41Å; D56-A58 VanDerWaalsContact C-N 3.32Å; D56-A58 PolarHBondContact O-N 3.11Å; D56-E59 PolarHBondContact O-N 3.31Å; D56-K60 WeakPolarHBondContact O-CB 3.46Å; D56-K60 WeakPolarHBondContact O-CG 3.16Å; D56-K60 PolarHBondContact O-N 2.9Å |
| 57 | A | 89.8 | Confident | 91.2 | Very high | 3 Ų | 3 | 75.6 Ų | 75.6 | 3% | 0.025 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -64.6 | -38.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y46 N51 N54 P55 K60 F61 | Y46-A57 HydrophobicContact CD1-CB 4.06Å; N51-A57 HydrophobicContact CB-CB 3.69Å; N54-A57 HydrophobicContact CB-CB 3.95Å; N54-A57 PolarHBondContact O-N 2.93Å; N54-A57 PolarHBondContact OD1-N 3.2Å; P55-A57 VanDerWaalsContact C-N 3.31Å; P55-A57 PolarHBondContact O-N 3.08Å; A57-K60 PolarHBondContact O-N 3.31Å; A57-F61 WeakPolarHBondContact O-CB 3.43Å; A57-F61 PolarHBondContact O-N 3.24Å |
| 58 | A | 89.7 | Confident | 91.2 | Very high | 42 Ų | 42 | 73 Ų | 73 | 35% | 0.347 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67 | -39.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | N54 P55 D56 F61 K62 | N54-A58 PolarHBondContact O-N 2.96Å; P55-A58 WeakPolarHBondContact O-CB 3.37Å; P55-A58 PolarHBondContact O-N 2.79Å; P55-A58 VanDerWaalsContact O-N 3.17Å; D56-A58 VanDerWaalsContact C-N 3.32Å; D56-A58 PolarHBondContact O-N 3.11Å; A58-F61 PolarHBondContact O-N 3.2Å; A58-K62 WeakPolarHBondContact O-CG 3.38Å; A58-K62 PolarHBondContact O-N 2.83Å; A58-K62 VanDerWaalsContact O-N 3.12Å |
| 59 | E | 89.9 | Confident | 91.2 | Very high | 100 Ų | 100 | 72.5 Ų | 72.5 | 47% | 0.467 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64 | -48 | 173.3 | -68.6 | -162.1 | 155.6 | 0 | 0 | 111.5 | P55 D56 F61 K62 E63 | P55-E59 PolarHBondContact O-N 3.43Å; D56-E59 PolarHBondContact O-N 3.31Å; E59-F61 VanDerWaalsContact C-N 3.3Å; E59-F61 PolarHBondContact O-N 3.32Å; E59-K62 WeakPolarHBondContact O-CB 3.32Å; E59-K62 PolarHBondContact O-N 3.22Å; E59-K62 VanDerWaalsContact O-N 3.13Å; E59-E63 PolarHBondContact O-N 3.26Å |
| 60 | K | 90.4 | Very high | 91.2 | Very high | 71 Ų | 71 | 66.7 Ų | 66.7 | 31% | 0.309 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.6 | -40.9 | 176.3 | -73.3 | -73.8 | 161.7 | -156.5 | 0 | 112.1 | E18 Y46 D56 A57 K62 E63 I64 | E18-K60 IonicContact OE2-NZ 3.7Å; Y46-K60 HydrophobicContact CD1-CB 4.12Å; Y46-K60 HydrophobicContact CD2-CB 4.46Å; Y46-K60 HydrophobicContact CE1-CB 4.33Å; Y46-K60 HydrophobicContact CG-CB 4.19Å; D56-K60 WeakPolarHBondContact O-CB 3.46Å; D56-K60 WeakPolarHBondContact O-CG 3.16Å; D56-K60 PolarHBondContact O-N 2.9Å; A57-K60 PolarHBondContact O-N 3.31Å; K60-K62 VanDerWaalsContact C-N 3.33Å; K60-K62 PolarHBondContact O-N 3.19Å; K60-E63 IonicContact NZ-OE2 2.84Å; K60-E63 PolarHBondContact NZ-OE2 3.36Å; K60-E63 WeakPolarHBondContact O-CB 3.34Å; K60-E63 PolarHBondContact O-N 3.29Å; K60-I64 WeakPolarHBondContact O-CB 3.47Å; K60-I64 VanDerWaalsContact O-CD1 3.27Å; K60-I64 WeakPolarHBondContact O-CD1 3.4Å; K60-I64 WeakPolarHBondContact O-CG1 3.23Å; K60-I64 PolarHBondContact O-N 3.04Å |
| 61 | F | 91.9 | Very high | 91.1 | Very high | 46 Ų | 46 | 60 Ų | 60 | 20% | 0.202 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -61.8 | -40.9 | 176.7 | -171.8 | -97.4 | 0 | 0 | 0 | 112.3 | A43 Y46 A57 A58 E59 I64 N65 | A43-F61 HydrophobicContact CB-CE2 4.03Å; Y46-F61 WeakPolarHBondContact O-CD2 3.28Å; A57-F61 WeakPolarHBondContact O-CB 3.43Å; A57-F61 PolarHBondContact O-N 3.24Å; A58-F61 PolarHBondContact O-N 3.2Å; E59-F61 VanDerWaalsContact C-N 3.3Å; E59-F61 PolarHBondContact O-N 3.32Å; F61-I64 PolarHBondContact O-N 3.17Å; F61-N65 WeakPolarHBondContact O-CB 3.44Å; F61-N65 PolarHBondContact O-N 2.76Å |
| 62 | K | 91 | Very high | 91 | Very high | 146 Ų | 146 | 62.3 Ų | 62.3 | 64% | 0.635 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -62.2 | -44 | 174.2 | -70.6 | 168.9 | -174.5 | 171.4 | 0 | 111.6 | A58 E59 K60 N65 N66 | A58-K62 WeakPolarHBondContact O-CG 3.38Å; A58-K62 PolarHBondContact O-N 2.83Å; A58-K62 VanDerWaalsContact O-N 3.12Å; E59-K62 WeakPolarHBondContact O-CB 3.32Å; E59-K62 PolarHBondContact O-N 3.22Å; E59-K62 VanDerWaalsContact O-N 3.13Å; K60-K62 VanDerWaalsContact C-N 3.33Å; K60-K62 PolarHBondContact O-N 3.19Å; K62-N65 PolarHBondContact O-N 2.94Å; K62-N66 WeakPolarHBondContact O-CB 3.43Å; K62-N66 PolarHBondContact O-N 3.47Å |
| 63 | E | 91.2 | Very high | 91.1 | Very high | 74 Ų | 74 | 59.8 Ų | 59.8 | 35% | 0.346 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.7 | -47.8 | 176.2 | -69 | 175.7 | 175.4 | 0 | 0 | 111.4 | V23 E59 K60 N65 N66 A67 | V23-E63 HydrophobicContact CG1-CB 3.89Å; E59-E63 PolarHBondContact O-N 3.26Å; K60-E63 IonicContact NZ-OE2 2.84Å; K60-E63 PolarHBondContact NZ-OE2 3.36Å; K60-E63 WeakPolarHBondContact O-CB 3.34Å; K60-E63 PolarHBondContact O-N 3.29Å; E63-N65 VanDerWaalsContact C-N 3.35Å; E63-N65 PolarHBondContact O-N 3.07Å; E63-N66 PolarHBondContact O-N 3.09Å; E63-A67 WeakPolarHBondContact O-CB 3.36Å; E63-A67 PolarHBondContact O-N 3.39Å |
| 64 | I | 93.2 | Very high | 91 | Very high | 3 Ų | 3 | 60.6 Ų | 60.6 | 2% | 0.015 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.4 | -44.5 | 178.9 | -69.2 | 156.6 | 0 | 0 | 0 | 111.1 | V23 L24 Y39 L42 Y46 K60 F61 A67 N68 | V23-I64 HydrophobicContact CG1-CG1 4.16Å; L24-I64 HydrophobicContact CD2-CG2 4.43Å; Y39-I64 HydrophobicContact CD2-CG2 3.58Å; Y39-I64 HydrophobicContact CE2-CG2 3.9Å; L42-I64 HydrophobicContact CB-CD1 3.71Å; L42-I64 HydrophobicContact CB-CG1 4.2Å; L42-I64 HydrophobicContact CB-CG2 4.1Å; L42-I64 HydrophobicContact CD1-CG1 4.39Å; Y46-I64 HydrophobicContact CD2-CD1 3.47Å; Y46-I64 VanDerWaalsContact CD2-CD1 3.47Å; Y46-I64 HydrophobicContact CE2-CD1 4.1Å; Y46-I64 HydrophobicContact CG-CD1 4.24Å; K60-I64 WeakPolarHBondContact O-CB 3.47Å; K60-I64 VanDerWaalsContact O-CD1 3.27Å; K60-I64 WeakPolarHBondContact O-CD1 3.4Å; K60-I64 WeakPolarHBondContact O-CG1 3.23Å; K60-I64 PolarHBondContact O-N 3.04Å; F61-I64 PolarHBondContact O-N 3.17Å; I64-A67 PolarHBondContact O-N 3.26Å; I64-N68 WeakPolarHBondContact O-CB 3.33Å; I64-N68 PolarHBondContact O-N 3.47Å |
| 65 | N | 92.6 | Very high | 90.9 | Very high | 69 Ų | 69 | 60.2 Ų | 60.2 | 37% | 0.369 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -67 | -41.9 | 179.4 | -168.9 | 25.8 | 0 | 0 | 0 | 111.6 | F61 K62 E63 A67 N68 S69 | F61-N65 WeakPolarHBondContact O-CB 3.44Å; F61-N65 PolarHBondContact O-N 2.76Å; K62-N65 PolarHBondContact O-N 2.94Å; E63-N65 VanDerWaalsContact C-N 3.35Å; E63-N65 PolarHBondContact O-N 3.07Å; N65-A67 VanDerWaalsContact C-N 3.34Å; N65-A67 PolarHBondContact O-N 3.3Å; N65-N68 PolarHBondContact O-N 3.45Å; N65-S69 WeakPolarHBondContact O-CB 3.33Å; N65-S69 PolarHBondContact O-N 3.48Å; N65-S69 PolarHBondContact O-OG 2.84Å |
| 66 | N | 91 | Very high | 90.9 | Very high | 44 Ų | 44 | 58.7 Ų | 58.7 | 24% | 0.235 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.2 | -44.8 | 174.7 | -172.6 | -82.9 | 0 | 0 | 0 | 111.1 | R11 K62 E63 N68 S69 I70 | R11-N66 VanDerWaalsContact NH2-CG 3.28Å; R11-N66 PolarHBondContact NH2-ND2 3.37Å; R11-N66 PolarHBondContact NH2-OD1 3.25Å; K62-N66 WeakPolarHBondContact O-CB 3.43Å; K62-N66 PolarHBondContact O-N 3.47Å; E63-N66 PolarHBondContact O-N 3.09Å; N66-N68 PolarHBondContact O-N 3.3Å; N66-S69 WeakPolarHBondContact O-CB 3.44Å; N66-S69 PolarHBondContact O-N 3.34Å; N66-S69 VanDerWaalsContact O-N 3.17Å; N66-I70 WeakPolarHBondContact O-CG1 3.44Å; N66-I70 PolarHBondContact O-N 2.99Å; N66-I70 VanDerWaalsContact O-N 3.09Å; N66-I70 WeakPolarHBondContact OD1-CD1 3.13Å |
| 67 | A | 92.3 | Very high | 90.9 | Very high | 3 Ų | 3 | 55.7 Ų | 55.7 | 3% | 0.025 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.2 | -44 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V20 V23 L24 E63 I64 N65 S69 I70 L71 | V20-A67 HydrophobicContact CG1-CB 3.61Å; V23-A67 HydrophobicContact CB-CB 4.02Å; V23-A67 HydrophobicContact CG1-CB 3.98Å; L24-A67 HydrophobicContact CD1-CB 3.82Å; L24-A67 HydrophobicContact CG-CB 4.19Å; E63-A67 WeakPolarHBondContact O-CB 3.36Å; E63-A67 PolarHBondContact O-N 3.39Å; I64-A67 PolarHBondContact O-N 3.26Å; N65-A67 VanDerWaalsContact C-N 3.34Å; N65-A67 PolarHBondContact O-N 3.3Å; A67-S69 VanDerWaalsContact C-N 3.33Å; A67-S69 PolarHBondContact O-N 3.47Å; A67-I70 PolarHBondContact O-N 2.85Å; A67-L71 WeakPolarHBondContact O-CG 3.4Å; A67-L71 PolarHBondContact O-N 2.92Å |
| 68 | N | 93.6 | Very high | 90.7 | Very high | 22 Ų | 22 | 61.2 Ų | 61.2 | 12% | 0.118 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.3 | -40 | 173.8 | -175.7 | 67 | 0 | 0 | 0 | 112 | Y39 I64 N65 N66 I70 L71 N72 | Y39-N68 HydrophobicContact CD2-CB 3.39Å; Y39-N68 HydrophobicContact CE2-CB 3.85Å; Y39-N68 HydrophobicContact CG-CB 3.84Å; I64-N68 WeakPolarHBondContact O-CB 3.33Å; I64-N68 PolarHBondContact O-N 3.47Å; N65-N68 PolarHBondContact O-N 3.45Å; N66-N68 PolarHBondContact O-N 3.3Å; N68-I70 PolarHBondContact O-N 3.38Å; N68-L71 PolarHBondContact O-N 2.83Å; N68-N72 WeakPolarHBondContact O-CB 3.14Å; N68-N72 PolarHBondContact O-N 2.91Å |
| 69 | S | 91.8 | Very high | 90.6 | Very high | 57 Ų | 57 | 59.5 Ų | 59.5 | 40% | 0.399 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.7 | -32.2 | 177.5 | -57.3 | 0 | 0 | 0 | 0 | 112.8 | N65 N66 A67 | N65-S69 WeakPolarHBondContact O-CB 3.33Å; N65-S69 PolarHBondContact O-N 3.48Å; N65-S69 PolarHBondContact O-OG 2.84Å; N66-S69 WeakPolarHBondContact O-CB 3.44Å; N66-S69 PolarHBondContact O-N 3.34Å; N66-S69 VanDerWaalsContact O-N 3.17Å; A67-S69 VanDerWaalsContact C-N 3.33Å; A67-S69 PolarHBondContact O-N 3.47Å |
| 70 | I | 91.1 | Very high | 90.4 | Very high | 8 Ų | 8 | 56.3 Ų | 56.3 | 4% | 0.041 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -78.8 | -47.2 | 177.3 | -66.2 | 160.8 | 0 | 0 | 0 | 111.2 | V20 N66 A67 N68 D73 K76 R77 Y80 L88 | V20-I70 HydrophobicContact CG1-CB 4.09Å; V20-I70 HydrophobicContact CG1-CD1 4.19Å; V20-I70 HydrophobicContact CG1-CG2 4.16Å; V20-I70 HydrophobicContact CG2-CD1 3.98Å; N66-I70 WeakPolarHBondContact O-CG1 3.44Å; N66-I70 PolarHBondContact O-N 2.99Å; N66-I70 VanDerWaalsContact O-N 3.09Å; N66-I70 WeakPolarHBondContact OD1-CD1 3.13Å; A67-I70 PolarHBondContact O-N 2.85Å; N68-I70 PolarHBondContact O-N 3.38Å; I70-D73 VanDerWaalsContact O-O 3.05Å; I70-K76 HydrophobicContact CG2-CB 4.41Å; I70-R77 PolarHBondContact O-N 3Å; I70-Y80 HydrophobicContact CG2-CG 4.42Å; I70-L88 HydrophobicContact CB-CD2 4.47Å; I70-L88 HydrophobicContact CD1-CD1 3.58Å; I70-L88 HydrophobicContact CD1-CD2 4.19Å; I70-L88 HydrophobicContact CG1-CD1 4.08Å; I70-L88 HydrophobicContact CG1-CD2 3.8Å; I70-L88 HydrophobicContact CG2-CD1 4.01Å; I70-L88 HydrophobicContact CG2-CD2 3.94Å |
| 71 | L | 90.6 | Very high | 90.3 | Very high | 5 Ų | 5 | 55.5 Ų | 55.5 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -79.9 | -23.2 | -172.7 | -64.1 | -174.7 | 0 | 0 | 0 | 113.9 | V20 Y21 L24 I35 A67 N68 R77 | V20-L71 HydrophobicContact CB-CD2 4.45Å; V20-L71 HydrophobicContact CG1-CD1 4.09Å; V20-L71 HydrophobicContact CG1-CD2 3.94Å; V20-L71 HydrophobicContact CG1-CG 3.68Å; Y21-L71 HydrophobicContact CD1-CD1 3.69Å; Y21-L71 HydrophobicContact CD1-CD2 4.08Å; Y21-L71 HydrophobicContact CD2-CD2 4.36Å; Y21-L71 HydrophobicContact CE1-CD1 3.87Å; Y21-L71 HydrophobicContact CE1-CD2 3.55Å; Y21-L71 HydrophobicContact CE1-CG 4.36Å; Y21-L71 HydrophobicContact CE2-CD2 3.87Å; Y21-L71 HydrophobicContact CG-CD1 4.23Å; Y21-L71 HydrophobicContact CG-CD2 4.46Å; Y21-L71 VanDerWaalsContact CZ-CD2 3.45Å; L24-L71 HydrophobicContact CD1-CD1 3.55Å; L24-L71 HydrophobicContact CD1-CG 4.48Å; I35-L71 HydrophobicContact CD1-CB 3.96Å; I35-L71 HydrophobicContact CD1-CD1 4.36Å; I35-L71 HydrophobicContact CG1-CB 4.42Å; I35-L71 HydrophobicContact CG1-CD1 4.26Å; I35-L71 HydrophobicContact CG2-CB 3.91Å; I35-L71 HydrophobicContact CG2-CD1 4.44Å; A67-L71 WeakPolarHBondContact O-CG 3.4Å; A67-L71 PolarHBondContact O-N 2.92Å; N68-L71 PolarHBondContact O-N 2.83Å; L71-R77 HydrophobicContact CD2-CG 4.28Å |
| 72 | N | 91.1 | Very high | 89.8 | Confident | 95 Ų | 95 | 58.9 Ų | 58.9 | 51% | 0.508 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -77.4 | -24.1 | 176.6 | -171.1 | 58.7 | 0 | 0 | 0 | 112.3 | N68 | N68-N72 WeakPolarHBondContact O-CB 3.14Å; N68-N72 PolarHBondContact O-N 2.91Å |
| 73 | D | 90.8 | Very high | 89.4 | Confident | 46 Ų | 46 | 55.4 Ų | 55.4 | 25% | 0.246 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -93.3 | 117.6 | 174.5 | -176.1 | -34.2 | 0 | 0 | 0 | 109.7 | I70 N75 K76 R77 | I70-D73 VanDerWaalsContact O-O 3.05Å; D73-N75 VanDerWaalsContact C-N 3.29Å; D73-N75 PolarHBondContact O-N 3.19Å; D73-N75 WeakPolarHBondContact OD1-CB 3.04Å; D73-N75 PolarHBondContact OD1-N 3.1Å; D73-K76 HydrophobicContact CB-CB 4.03Å; D73-K76 HydrophobicContact CB-CD 4.04Å; D73-K76 HydrophobicContact CB-CG 4.07Å; D73-K76 PolarHBondContact O-N 3.06Å; D73-K76 PolarHBondContact OD1-N 3.05Å; D73-R77 VanDerWaalsContact O-CB 3.22Å; D73-R77 WeakPolarHBondContact O-CB 3.28Å; D73-R77 PolarHBondContact O-N 2.94Å |
| 74 | E | 89.6 | Confident | 89.2 | Confident | 171 Ų | 171 | 53.1 Ų | 53.1 | 80% | 0.799 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -64.2 | -33.1 | -175.8 | -162.1 | 161.2 | -148.2 | 0 | 0 | 112.6 | R78 | E74-R78 WeakPolarHBondContact O-CB 3.47Å; E74-R78 PolarHBondContact O-N 3.27Å |
| 75 | N | 88.3 | Confident | 88.7 | Confident | 59 Ų | 59 | 55.4 Ų | 55.4 | 32% | 0.316 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -70.4 | -47.7 | 176.5 | -74.2 | -54.6 | 0 | 0 | 0 | 111.1 | D73 R77 R78 I79 | D73-N75 VanDerWaalsContact C-N 3.29Å; D73-N75 PolarHBondContact O-N 3.19Å; D73-N75 WeakPolarHBondContact OD1-CB 3.04Å; D73-N75 PolarHBondContact OD1-N 3.1Å; N75-R77 VanDerWaalsContact C-N 3.32Å; N75-R77 PolarHBondContact O-N 3.08Å; N75-R78 PolarHBondContact O-N 2.84Å; N75-R78 PolarHBondContact OD1-NH2 3.1Å; N75-R78 VanDerWaalsContact OD1-NH2 3.14Å; N75-I79 VanDerWaalsContact O-CG1 3.31Å; N75-I79 WeakPolarHBondContact O-CG1 3.34Å; N75-I79 PolarHBondContact O-N 2.86Å |
| 76 | K | 88.8 | Confident | 88.3 | Confident | 60 Ų | 60 | 56.2 Ų | 56.2 | 26% | 0.261 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.6 | -38.1 | 178.9 | -64.9 | -178.3 | -175.8 | 178.6 | 0 | 111.6 | I70 D73 I79 Y80 L88 | I70-K76 HydrophobicContact CG2-CB 4.41Å; D73-K76 HydrophobicContact CB-CB 4.03Å; D73-K76 HydrophobicContact CB-CD 4.04Å; D73-K76 HydrophobicContact CB-CG 4.07Å; D73-K76 PolarHBondContact O-N 3.06Å; D73-K76 PolarHBondContact OD1-N 3.05Å; K76-I79 PolarHBondContact O-N 3.46Å; K76-Y80 WeakPolarHBondContact O-CB 3.19Å; K76-Y80 PolarHBondContact O-N 3.35Å; K76-L88 HydrophobicContact CB-CD2 4.2Å |
| 77 | R | 89.4 | Confident | 88 | Confident | 46 Ų | 46 | 54.2 Ų | 54.2 | 17% | 0.174 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.9 | -47.8 | 172.2 | -176.6 | 177.8 | 178.6 | 165.4 | 1.2 | 111.2 | Y21 A30 I70 L71 D73 N75 Y80 D81 | Y21-R77 PolarHBondContact OH-NE 3.07Å; Y21-R77 VanDerWaalsContact OH-NE 3.1Å; A30-R77 PolarHBondContact O-NH1 3.03Å; A30-R77 VanDerWaalsContact O-NH1 3.1Å; A30-R77 PolarHBondContact O-NH2 3.46Å; I70-R77 PolarHBondContact O-N 3Å; L71-R77 HydrophobicContact CD2-CG 4.28Å; D73-R77 VanDerWaalsContact O-CB 3.22Å; D73-R77 WeakPolarHBondContact O-CB 3.28Å; D73-R77 PolarHBondContact O-N 2.94Å; N75-R77 VanDerWaalsContact C-N 3.32Å; N75-R77 PolarHBondContact O-N 3.08Å; R77-Y80 PolarHBondContact O-N 2.84Å; R77-D81 IonicContact NE-OD2 2.69Å; R77-D81 WeakPolarHBondContact O-CB 3.34Å; R77-D81 VanDerWaalsContact O-CG 3.28Å; R77-D81 PolarHBondContact O-N 3.14Å |
| 78 | R | 86.6 | Confident | 87.7 | Confident | 119 Ų | 119 | 54.8 Ų | 54.8 | 45% | 0.449 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.5 | -48 | 176.4 | -174.3 | -177.6 | 64.7 | -150.2 | -14.7 | 111.7 | E74 N75 Y80 D81 E82 | E74-R78 WeakPolarHBondContact O-CB 3.47Å; E74-R78 PolarHBondContact O-N 3.27Å; N75-R78 PolarHBondContact O-N 2.84Å; N75-R78 PolarHBondContact OD1-NH2 3.1Å; N75-R78 VanDerWaalsContact OD1-NH2 3.14Å; R78-Y80 VanDerWaalsContact C-N 3.29Å; R78-Y80 PolarHBondContact O-N 3.35Å; R78-D81 PolarHBondContact O-N 3.22Å; R78-E82 WeakPolarHBondContact O-CB 3.38Å; R78-E82 PolarHBondContact O-N 3.17Å |
| 79 | I | 86.8 | Confident | 87.2 | Confident | 6 Ų | 6 | 58.2 Ų | 58.2 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.6 | -43.9 | 178.7 | -69 | 166.3 | 0 | 0 | 0 | 110.5 | N75 K76 Y83 G87 V99 | N75-I79 VanDerWaalsContact O-CG1 3.31Å; N75-I79 WeakPolarHBondContact O-CG1 3.34Å; N75-I79 PolarHBondContact O-N 2.86Å; K76-I79 PolarHBondContact O-N 3.46Å; I79-Y83 HydrophobicContact CG2-CD2 4.44Å; I79-Y83 WeakPolarHBondContact O-CA 3.49Å; I79-Y83 WeakPolarHBondContact O-CB 3.46Å; I79-Y83 PolarHBondContact O-N 3.33Å; I79-G87 WeakPolarHBondContact CG2-O 3.3Å; I79-V99 HydrophobicContact CD1-CG1 4.24Å; I79-V99 HydrophobicContact CG1-CG1 4.27Å; I79-V99 HydrophobicContact CG2-CG1 4.06Å |
| 80 | Y | 87 | Confident | 86.9 | Confident | 33 Ų | 33 | 57.3 Ų | 57.3 | 13% | 0.129 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.2 | -42 | 176.8 | 179.5 | -102.9 | 0 | 0 | 0 | 112.6 | T19 V20 Y21 I70 K76 R77 R78 E82 G84 L88 | T19-Y80 VanDerWaalsContact CA-OH 3.27Å; T19-Y80 WeakPolarHBondContact CA-OH 3.42Å; V20-Y80 HydrophobicContact CB-CD1 4.38Å; V20-Y80 HydrophobicContact CB-CE1 3.87Å; V20-Y80 HydrophobicContact CB-CE2 4.38Å; V20-Y80 HydrophobicContact CG2-CD1 4.21Å; V20-Y80 HydrophobicContact CG2-CD2 3.9Å; V20-Y80 HydrophobicContact CG2-CE1 3.78Å; V20-Y80 HydrophobicContact CG2-CE2 3.39Å; V20-Y80 HydrophobicContact CG2-CG 4.25Å; V20-Y80 PolarHBondContact N-OH 3.22Å; V20-Y80 VanDerWaalsContact N-OH 3.08Å; Y21-Y80 HydrophobicContact CD2-CE1 4.08Å; Y21-Y80 HydrophobicContact CE2-CD1 4.09Å; Y21-Y80 AromaticContact CE2-CE1 3.91Å; Y21-Y80 HydrophobicContact CE2-CE1 3.91Å; I70-Y80 HydrophobicContact CG2-CG 4.42Å; K76-Y80 WeakPolarHBondContact O-CB 3.19Å; K76-Y80 PolarHBondContact O-N 3.35Å; R77-Y80 PolarHBondContact O-N 2.84Å; R78-Y80 VanDerWaalsContact C-N 3.29Å; R78-Y80 PolarHBondContact O-N 3.35Å; Y80-E82 VanDerWaalsContact C-N 3.27Å; Y80-E82 PolarHBondContact O-N 3.33Å; Y80-G84 WeakPolarHBondContact O-CA 2.99Å; Y80-G84 PolarHBondContact O-N 3.45Å; Y80-L88 HydrophobicContact CD2-CD1 3.3Å; Y80-L88 HydrophobicContact CD2-CG 4.22Å; Y80-L88 HydrophobicContact CE2-CD1 4.13Å; Y80-L88 HydrophobicContact CG-CD1 3.95Å |
| 81 | D | 87.1 | Confident | 86.6 | Confident | 53 Ų | 53 | 57.3 Ų | 57.3 | 28% | 0.283 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67.6 | -28.9 | -178.5 | -76.9 | -21.7 | 0 | 0 | 0 | 112.7 | Y21 K28 R77 R78 | Y21-D81 WeakPolarHBondContact CE2-OD1 3.39Å; Y21-D81 PolarHBondContact OH-OD1 3.14Å; Y21-D81 PolarHBondContact OH-OD2 3.37Å; Y21-D81 VanDerWaalsContact OH-OD2 3.06Å; K28-D81 WeakPolarHBondContact CE-OD1 3.34Å; K28-D81 PolarHBondContact NZ-O 3.48Å; R77-D81 IonicContact NE-OD2 2.69Å; R77-D81 WeakPolarHBondContact O-CB 3.34Å; R77-D81 VanDerWaalsContact O-CG 3.28Å; R77-D81 PolarHBondContact O-N 3.14Å; R78-D81 PolarHBondContact O-N 3.22Å |
| 82 | E | 82.7 | Confident | 86.3 | Confident | 118 Ų | 118 | 62.1 Ų | 62.1 | 55% | 0.551 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -93.9 | -37.8 | -178 | -165.2 | 176.6 | 170.7 | 0 | 0 | 112.9 | R78 Y80 | R78-E82 WeakPolarHBondContact O-CB 3.38Å; R78-E82 PolarHBondContact O-N 3.17Å; Y80-E82 VanDerWaalsContact C-N 3.27Å; Y80-E82 PolarHBondContact O-N 3.33Å |
| 83 | Y | 81.8 | Confident | 85.9 | Confident | 73 Ų | 73 | 63 Ų | 63 | 29% | 0.286 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -126.3 | -0.8 | -170.4 | -53.8 | -71.3 | 0 | 0 | 0 | 114.5 | I79 G87 F103 | I79-Y83 HydrophobicContact CG2-CD2 4.44Å; I79-Y83 WeakPolarHBondContact O-CA 3.49Å; I79-Y83 WeakPolarHBondContact O-CB 3.46Å; I79-Y83 PolarHBondContact O-N 3.33Å; Y83-G87 PolarHBondContact O-N 3.46Å; Y83-F103 AromaticContact CD1-CD1 3.67Å; Y83-F103 HydrophobicContact CD1-CD1 3.67Å; Y83-F103 HydrophobicContact CD1-CD2 4.05Å; Y83-F103 AromaticContact CD1-CE1 3.12Å; Y83-F103 HydrophobicContact CD1-CE1 3.12Å; Y83-F103 AromaticContact CD1-CE2 3.51Å; Y83-F103 HydrophobicContact CD1-CE2 3.51Å; Y83-F103 HydrophobicContact CD1-CG 4.14Å; Y83-F103 AromaticContact CD1-CZ 3.04Å; Y83-F103 HydrophobicContact CD1-CZ 3.04Å; Y83-F103 AromaticContact CD2-CD2 3.65Å; Y83-F103 HydrophobicContact CD2-CD2 3.65Å; Y83-F103 HydrophobicContact CD2-CE1 4.35Å; Y83-F103 AromaticContact CD2-CE2 3.12Å; Y83-F103 HydrophobicContact CD2-CE2 3.12Å; Y83-F103 HydrophobicContact CD2-CG 4.44Å; Y83-F103 AromaticContact CD2-CZ 3.59Å; Y83-F103 HydrophobicContact CD2-CZ 3.59Å; Y83-F103 HydrophobicContact CE1-CB 4.28Å; Y83-F103 AromaticContact CE1-CD1 3.12Å; Y83-F103 HydrophobicContact CE1-CD1 3.12Å; Y83-F103 AromaticContact CE1-CD2 3.62Å; Y83-F103 HydrophobicContact CE1-CD2 3.62Å; Y83-F103 AromaticContact CE1-CE1 3.14Å; Y83-F103 HydrophobicContact CE1-CE1 3.14Å; Y83-F103 AromaticContact CE1-CE2 3.6Å; Y83-F103 HydrophobicContact CE1-CE2 3.6Å; Y83-F103 AromaticContact CE1-CG 3.41Å; Y83-F103 HydrophobicContact CE1-CG 3.41Å; Y83-F103 VanDerWaalsContact CE1-CG 3.41Å; Y83-F103 AromaticContact CE1-CZ 3.41Å; Y83-F103 HydrophobicContact CE1-CZ 3.41Å; Y83-F103 VanDerWaalsContact CE1-CZ 3.41Å; Y83-F103 HydrophobicContact CE2-CD1 4.32Å; Y83-F103 AromaticContact CE2-CD2 3.2Å; Y83-F103 HydrophobicContact CE2-CD2 3.2Å; Y83-F103 HydrophobicContact CE2-CE1 4.4Å; Y83-F103 AromaticContact CE2-CE2 3.26Å; Y83-F103 HydrophobicContact CE2-CE2 3.26Å; Y83-F103 AromaticContact CE2-CG 3.79Å; Y83-F103 HydrophobicContact CE2-CG 3.79Å; Y83-F103 AromaticContact CE2-CZ 3.93Å; Y83-F103 HydrophobicContact CE2-CZ 3.93Å; Y83-F103 HydrophobicContact CG-CD1 4.42Å; Y83-F103 HydrophobicContact CG-CD2 4.04Å; Y83-F103 AromaticContact CG-CE1 3.75Å; Y83-F103 HydrophobicContact CG-CE1 3.75Å; Y83-F103 AromaticContact CG-CE2 3.24Å; Y83-F103 HydrophobicContact CG-CE2 3.24Å; Y83-F103 AromaticContact CG-CZ 3.11Å; Y83-F103 HydrophobicContact CG-CZ 3.11Å; Y83-F103 AromaticContact CZ-CD1 3.49Å; Y83-F103 VanDerWaalsContact CZ-CD1 3.49Å; Y83-F103 AromaticContact CZ-CD2 3.16Å; Y83-F103 AromaticContact CZ-CE1 3.82Å; Y83-F103 AromaticContact CZ-CE2 3.47Å; Y83-F103 VanDerWaalsContact CZ-CE2 3.47Å; Y83-F103 AromaticContact CZ-CG 3.19Å; Y83-F103 AromaticContact CZ-CZ 3.83Å; Y83-F103 WeakPolarHBondContact OH-CB 3.45Å; Y83-F103 VanDerWaalsContact OH-CG 3.3Å; Y83-F103 WeakPolarHBondContact OH-CG 3.37Å |
| 84 | G | 86.5 | Confident | 85.4 | Confident | 26 Ų | 26 | 67.6 Ų | 67.6 | 27% | 0.268 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | 66.7 | -152.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | Y80 M86 G87 L88 | Y80-G84 WeakPolarHBondContact O-CA 2.99Å; Y80-G84 PolarHBondContact O-N 3.45Å; G84-M86 VanDerWaalsContact C-N 3.26Å; G84-M86 PolarHBondContact O-N 2.94Å; G84-G87 PolarHBondContact O-N 3.49Å; G84-L88 PolarHBondContact O-N 2.66Å |
| 85 | S | 84.4 | Confident | 85 | Confident | 51 Ų | 51 | 61 Ų | 61 | 36% | 0.357 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.5 | -27.7 | -178.6 | 51.7 | 0 | 0 | 0 | 0 | 113.4 | Y89 | S85-Y89 PolarHBondContact O-N 2.87Å; S85-Y89 VanDerWaalsContact O-N 3.07Å |
| 86 | M | 82.8 | Confident | 84.4 | Confident | 86 Ų | 86 | 61.1 Ų | 61.1 | 42% | 0.424 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.2 | -43.3 | 175.1 | -82.6 | -60.1 | 97.2 | 0 | 0 | 112.6 | M13 G84 L88 Y89 V90 | M13-M86 HydrophobicContact CB-CE 4.13Å; M13-M86 HydrophobicContact CG-CE 4.13Å; M13-M86 HydrophobicContact SD-CE 3.3Å; M13-M86 WeakPolarHBondContact SD-CE 3.43Å; G84-M86 VanDerWaalsContact C-N 3.26Å; G84-M86 PolarHBondContact O-N 2.94Å; M86-L88 VanDerWaalsContact C-N 3.27Å; M86-L88 PolarHBondContact O-N 3.1Å; M86-Y89 PolarHBondContact O-N 2.97Å; M86-V90 WeakPolarHBondContact O-CG2 3.5Å; M86-V90 PolarHBondContact O-N 3.4Å |
| 87 | G | 84.3 | Confident | 83.8 | Confident | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.2 | -40.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I79 Y83 G84 V90 S91 | I79-G87 WeakPolarHBondContact CG2-O 3.3Å; Y83-G87 PolarHBondContact O-N 3.46Å; G84-G87 PolarHBondContact O-N 3.49Å; G87-V90 PolarHBondContact O-N 3.26Å; G87-S91 WeakPolarHBondContact O-CB 3.31Å; G87-S91 PolarHBondContact O-N 3.32Å |
| 88 | L | 86.6 | Confident | 83.3 | Confident | 15 Ų | 15 | 64.5 Ų | 64.5 | 8% | 0.079 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.6 | -46.4 | 174.6 | -80.7 | 165.6 | 0 | 0 | 0 | 112.5 | I70 K76 Y80 G84 M86 V90 S91 E92 | I70-L88 HydrophobicContact CB-CD2 4.47Å; I70-L88 HydrophobicContact CD1-CD1 3.58Å; I70-L88 HydrophobicContact CD1-CD2 4.19Å; I70-L88 HydrophobicContact CG1-CD1 4.08Å; I70-L88 HydrophobicContact CG1-CD2 3.8Å; I70-L88 HydrophobicContact CG2-CD1 4.01Å; I70-L88 HydrophobicContact CG2-CD2 3.94Å; K76-L88 HydrophobicContact CB-CD2 4.2Å; Y80-L88 HydrophobicContact CD2-CD1 3.3Å; Y80-L88 HydrophobicContact CD2-CG 4.22Å; Y80-L88 HydrophobicContact CE2-CD1 4.13Å; Y80-L88 HydrophobicContact CG-CD1 3.95Å; G84-L88 PolarHBondContact O-N 2.66Å; M86-L88 VanDerWaalsContact C-N 3.27Å; M86-L88 PolarHBondContact O-N 3.1Å; L88-V90 VanDerWaalsContact C-N 3.32Å; L88-V90 PolarHBondContact O-N 3.38Å; L88-S91 WeakPolarHBondContact CA-OG 3.37Å; L88-S91 WeakPolarHBondContact O-CB 3.34Å; L88-S91 PolarHBondContact O-N 2.93Å; L88-S91 VanDerWaalsContact O-N 3.1Å; L88-S91 PolarHBondContact O-OG 3.37Å; L88-E92 PolarHBondContact O-N 3.24Å |
| 89 | Y | 84.3 | Confident | 82.8 | Confident | 95 Ų | 95 | 58.9 Ų | 58.9 | 37% | 0.373 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.9 | -44.9 | 179 | 177.2 | -106.9 | 0 | 0 | 0 | 111.8 | M13 S85 M86 S91 E92 Q93 | M13-Y89 HydrophobicContact CE-CD1 4.06Å; M13-Y89 HydrophobicContact CE-CD2 3.49Å; M13-Y89 VanDerWaalsContact CE-CD2 3.49Å; M13-Y89 HydrophobicContact CE-CE1 3.96Å; M13-Y89 HydrophobicContact CE-CE2 3.38Å; M13-Y89 HydrophobicContact CE-CG 3.83Å; S85-Y89 PolarHBondContact O-N 2.87Å; S85-Y89 VanDerWaalsContact O-N 3.07Å; M86-Y89 PolarHBondContact O-N 2.97Å; Y89-S91 VanDerWaalsContact C-N 3.32Å; Y89-S91 PolarHBondContact O-N 3.26Å; Y89-E92 PolarHBondContact O-N 3.34Å; Y89-Q93 HydrophobicContact CD2-CG 4.37Å; Y89-Q93 HydrophobicContact CE1-CG 4.27Å; Y89-Q93 HydrophobicContact CE2-CG 3.91Å; Y89-Q93 WeakPolarHBondContact O-CG 3.34Å; Y89-Q93 PolarHBondContact O-N 3.49Å; Y89-Q93 VanDerWaalsContact O-N 3.17Å |
| 90 | V | 84.1 | Confident | 82.3 | Confident | 37 Ų | 37 | 62.5 Ų | 62.5 | 22% | 0.224 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65 | -38.3 | 176.6 | -178.2 | 0 | 0 | 0 | 0 | 110.8 | M86 G87 L88 E92 Q93 F94 V99 | M86-V90 WeakPolarHBondContact O-CG2 3.5Å; M86-V90 PolarHBondContact O-N 3.4Å; G87-V90 PolarHBondContact O-N 3.26Å; L88-V90 VanDerWaalsContact C-N 3.32Å; L88-V90 PolarHBondContact O-N 3.38Å; V90-E92 VanDerWaalsContact C-N 3.34Å; V90-E92 PolarHBondContact O-N 3Å; V90-Q93 PolarHBondContact O-N 2.86Å; V90-F94 HydrophobicContact CG1-CD2 3.93Å; V90-F94 PolarHBondContact O-N 3.35Å; V90-V99 HydrophobicContact CB-CG2 4.01Å; V90-V99 HydrophobicContact CG1-CG2 3.76Å |
| 91 | S | 85.5 | Confident | 81.9 | Confident | 9 Ų | 9 | 66.9 Ų | 66.9 | 6% | 0.063 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.5 | -37.6 | 176.8 | 77.6 | 0 | 0 | 0 | 0 | 113.1 | G87 L88 Y89 G95 V99 | G87-S91 WeakPolarHBondContact O-CB 3.31Å; G87-S91 PolarHBondContact O-N 3.32Å; L88-S91 WeakPolarHBondContact CA-OG 3.37Å; L88-S91 WeakPolarHBondContact O-CB 3.34Å; L88-S91 PolarHBondContact O-N 2.93Å; L88-S91 VanDerWaalsContact O-N 3.1Å; L88-S91 PolarHBondContact O-OG 3.37Å; Y89-S91 VanDerWaalsContact C-N 3.32Å; Y89-S91 PolarHBondContact O-N 3.26Å; S91-G95 CarbonylContact O-C 3.6Å; S91-G95 VanDerWaalsContact O-CA 3.23Å; S91-G95 WeakPolarHBondContact O-CA 3.22Å; S91-G95 PolarHBondContact O-N 3.1Å; S91-G95 VanDerWaalsContact O-N 3.1Å; S91-V99 VanDerWaalsContact N-CG2 3.3Å |
| 92 | E | 84.3 | Confident | 81.3 | Confident | 105 Ų | 105 | 71 Ų | 71 | 49% | 0.491 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -72.3 | -31 | 178.7 | -74.3 | -176.1 | 154.5 | 0 | 0 | 112.3 | L88 Y89 V90 | L88-E92 PolarHBondContact O-N 3.24Å; Y89-E92 PolarHBondContact O-N 3.34Å; V90-E92 VanDerWaalsContact C-N 3.34Å; V90-E92 PolarHBondContact O-N 3Å |
| 93 | Q | 82.1 | Confident | 80.8 | Confident | 115 Ų | 115 | 67.3 Ų | 67.3 | 54% | 0.537 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -89.6 | -41.5 | -176.9 | -67 | -59.9 | -53.1 | 0 | 0 | 113.7 | Y89 V90 | Y89-Q93 HydrophobicContact CD2-CG 4.37Å; Y89-Q93 HydrophobicContact CE1-CG 4.27Å; Y89-Q93 HydrophobicContact CE2-CG 3.91Å; Y89-Q93 WeakPolarHBondContact O-CG 3.34Å; Y89-Q93 PolarHBondContact O-N 3.49Å; Y89-Q93 VanDerWaalsContact O-N 3.17Å; V90-Q93 PolarHBondContact O-N 2.86Å |
| 94 | F | 80.6 | Confident | 80.3 | Confident | 141 Ų | 141 | 67.1 Ų | 67.1 | 62% | 0.618 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -115.4 | -0.3 | -170 | -60 | -79.3 | 0 | 0 | 0 | 113.1 | V90 S98 | V90-F94 HydrophobicContact CG1-CD2 3.93Å; V90-F94 PolarHBondContact O-N 3.35Å; F94-S98 WeakPolarHBondContact O-CB 3.43Å; F94-S98 PolarHBondContact O-OG 3.24Å |
| 95 | G | 82.1 | Confident | 79.5 | Confident | 34 Ų | 34 | 68.8 Ų | 68.8 | 35% | 0.351 | 33% | 0.333 | S | S | . | . | trans | 82.3 | 160.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S91 E97 S98 V99 | S91-G95 CarbonylContact O-C 3.6Å; S91-G95 VanDerWaalsContact O-CA 3.23Å; S91-G95 WeakPolarHBondContact O-CA 3.22Å; S91-G95 PolarHBondContact O-N 3.1Å; S91-G95 VanDerWaalsContact O-N 3.1Å; G95-E97 VanDerWaalsContact C-N 3.29Å; G95-E97 PolarHBondContact O-N 2.67Å; G95-S98 PolarHBondContact O-N 2.91Å; G95-V99 PolarHBondContact O-N 3.45Å | ||
| 96 | E | 73.8 | Confident | 78.9 | Confident | 61 Ų | 61 | 69.6 Ų | 69.6 | 29% | 0.285 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.3 | -32.6 | -174.1 | -60.4 | 176.1 | -154.4 | 0 | 0 | 112.8 | V99 K100 | E96-V99 PolarHBondContact O-N 3.41Å; E96-K100 PolarHBondContact O-N 3.34Å |
| 97 | E | 77.5 | Confident | 78.8 | Confident | 125 Ų | 125 | 70.8 Ų | 70.8 | 58% | 0.584 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -69.5 | -36.9 | 179.3 | -61.3 | -56.3 | 103.3 | 0 | 0 | 112.1 | G95 V99 K100 Y101 | G95-E97 VanDerWaalsContact C-N 3.29Å; G95-E97 PolarHBondContact O-N 2.67Å; E97-V99 VanDerWaalsContact C-N 3.3Å; E97-V99 PolarHBondContact O-N 2.76Å; E97-K100 PolarHBondContact O-N 3.5Å; E97-K100 IonicContact OE1-NZ 3.51Å; E97-K100 PolarHBondContact OE1-NZ 3.48Å; E97-Y101 WeakPolarHBondContact O-CB 3.23Å; E97-Y101 PolarHBondContact O-N 3.13Å |
| 98 | S | 78.1 | Confident | 78.3 | Confident | 52 Ų | 52 | 81.2 Ų | 81.2 | 36% | 0.364 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -66.6 | -33.4 | 176.8 | -61.8 | 0 | 0 | 0 | 0 | 112.1 | F94 G95 Y101 Y102 | F94-S98 WeakPolarHBondContact O-CB 3.43Å; F94-S98 PolarHBondContact O-OG 3.24Å; G95-S98 PolarHBondContact O-N 2.91Å; S98-Y101 PolarHBondContact O-N 3.43Å; S98-Y102 WeakPolarHBondContact O-CB 3.2Å; S98-Y102 PolarHBondContact O-N 3.4Å |
| 99 | V | 76 | Confident | 78 | Confident | 1 Ų | 1 | 88.2 Ų | 88.2 | 1% | 0.006 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -66.7 | -47.6 | 175.2 | -178.5 | 0 | 0 | 0 | 0 | 110.3 | I79 V90 S91 G95 E96 E97 Y101 Y102 F103 | I79-V99 HydrophobicContact CD1-CG1 4.24Å; I79-V99 HydrophobicContact CG1-CG1 4.27Å; I79-V99 HydrophobicContact CG2-CG1 4.06Å; V90-V99 HydrophobicContact CB-CG2 4.01Å; V90-V99 HydrophobicContact CG1-CG2 3.76Å; S91-V99 VanDerWaalsContact N-CG2 3.3Å; G95-V99 PolarHBondContact O-N 3.45Å; E96-V99 PolarHBondContact O-N 3.41Å; E97-V99 VanDerWaalsContact C-N 3.3Å; E97-V99 PolarHBondContact O-N 2.76Å; V99-Y101 VanDerWaalsContact C-N 3.3Å; V99-Y101 PolarHBondContact O-N 3.28Å; V99-Y102 PolarHBondContact O-N 3.49Å; V99-F103 HydrophobicContact CG1-CD2 3.56Å; V99-F103 HydrophobicContact CG1-CE2 3.22Å; V99-F103 HydrophobicContact CG1-CZ 4.35Å; V99-F103 WeakPolarHBondContact O-CD2 3.41Å; V99-F103 WeakPolarHBondContact O-CG 3.25Å; V99-F103 PolarHBondContact O-N 3.45Å |
| 100 | K | 76.8 | Confident | 77.9 | Confident | 82 Ų | 82 | 86 Ų | 86 | 36% | 0.357 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -57 | -45.5 | 173.9 | -67.5 | 172.1 | -169.1 | 157.1 | 0 | 110.8 | E96 E97 F103 L104 | E96-K100 PolarHBondContact O-N 3.34Å; E97-K100 PolarHBondContact O-N 3.5Å; E97-K100 IonicContact OE1-NZ 3.51Å; E97-K100 PolarHBondContact OE1-NZ 3.48Å; K100-F103 PolarHBondContact O-N 3.36Å; K100-L104 VanDerWaalsContact O-CB 3.25Å; K100-L104 WeakPolarHBondContact O-CB 3.19Å; K100-L104 PolarHBondContact O-N 3.01Å |
| 101 | Y | 77.8 | Confident | 77.8 | Confident | 125 Ų | 125 | 90 Ų | 90 | 49% | 0.49 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -67.2 | -44.1 | 179.3 | -172.9 | -110.6 | 0 | 0 | 0 | 112.7 | E97 S98 V99 F103 L104 M105 | E97-Y101 WeakPolarHBondContact O-CB 3.23Å; E97-Y101 PolarHBondContact O-N 3.13Å; S98-Y101 PolarHBondContact O-N 3.43Å; V99-Y101 VanDerWaalsContact C-N 3.3Å; V99-Y101 PolarHBondContact O-N 3.28Å; Y101-F103 VanDerWaalsContact C-N 3.29Å; Y101-F103 PolarHBondContact O-N 2.83Å; Y101-L104 CarbonylContact O-C 3.53Å; Y101-L104 WeakPolarHBondContact O-CB 3.25Å; Y101-L104 PolarHBondContact O-N 3.36Å; Y101-L104 VanDerWaalsContact O-N 3.15Å; Y101-M105 HydrophobicContact CD1-CE 3.38Å; Y101-M105 HydrophobicContact CD1-CG 4.06Å; Y101-M105 HydrophobicContact CD1-SD 3.93Å; Y101-M105 HydrophobicContact CD2-CG 4.38Å; Y101-M105 HydrophobicContact CE1-CE 3.13Å; Y101-M105 HydrophobicContact CE1-CG 3.72Å; Y101-M105 HydrophobicContact CE1-SD 3.18Å; Y101-M105 WeakPolarHBondContact CE1-SD 3.33Å; Y101-M105 HydrophobicContact CE2-CG 4.05Å; Y101-M105 HydrophobicContact CE2-SD 4.37Å; Y101-M105 HydrophobicContact CG-CE 4.44Å; Y101-M105 HydrophobicContact CG-CG 4.37Å; Y101-M105 WeakPolarHBondContact O-CB 3.46Å; Y101-M105 VanDerWaalsContact O-CG 3.31Å; Y101-M105 WeakPolarHBondContact O-CG 3.18Å; Y101-M105 PolarHBondContact O-N 3.32Å; Y101-M105 PolarHBondContact OH-SD 2.87Å |
| 102 | Y | 76.5 | Confident | 77.8 | Confident | 140 Ų | 140 | 93.3 Ų | 93.3 | 55% | 0.549 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -57.1 | -44.6 | 176.2 | -178.1 | -95.9 | 0 | 0 | 0 | 111.2 | S98 V99 M105 S106 | S98-Y102 WeakPolarHBondContact O-CB 3.2Å; S98-Y102 PolarHBondContact O-N 3.4Å; V99-Y102 PolarHBondContact O-N 3.49Å; Y102-M105 PolarHBondContact O-N 3.01Å; Y102-S106 PolarHBondContact O-N 3.12Å |
| 103 | F | 70.7 | Confident | 77.9 | Confident | 40 Ų | 40 | 92.9 Ų | 92.9 | 18% | 0.175 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -73.4 | -34.7 | 176.1 | -65.2 | -54.5 | 0 | 0 | 0 | 113.3 | Y83 V99 K100 Y101 M105 S106 K107 | Y83-F103 AromaticContact CD1-CD1 3.67Å; Y83-F103 HydrophobicContact CD1-CD1 3.67Å; Y83-F103 HydrophobicContact CD1-CD2 4.05Å; Y83-F103 AromaticContact CD1-CE1 3.12Å; Y83-F103 HydrophobicContact CD1-CE1 3.12Å; Y83-F103 AromaticContact CD1-CE2 3.51Å; Y83-F103 HydrophobicContact CD1-CE2 3.51Å; Y83-F103 HydrophobicContact CD1-CG 4.14Å; Y83-F103 AromaticContact CD1-CZ 3.04Å; Y83-F103 HydrophobicContact CD1-CZ 3.04Å; Y83-F103 AromaticContact CD2-CD2 3.65Å; Y83-F103 HydrophobicContact CD2-CD2 3.65Å; Y83-F103 HydrophobicContact CD2-CE1 4.35Å; Y83-F103 AromaticContact CD2-CE2 3.12Å; Y83-F103 HydrophobicContact CD2-CE2 3.12Å; Y83-F103 HydrophobicContact CD2-CG 4.44Å; Y83-F103 AromaticContact CD2-CZ 3.59Å; Y83-F103 HydrophobicContact CD2-CZ 3.59Å; Y83-F103 HydrophobicContact CE1-CB 4.28Å; Y83-F103 AromaticContact CE1-CD1 3.12Å; Y83-F103 HydrophobicContact CE1-CD1 3.12Å; Y83-F103 AromaticContact CE1-CD2 3.62Å; Y83-F103 HydrophobicContact CE1-CD2 3.62Å; Y83-F103 AromaticContact CE1-CE1 3.14Å; Y83-F103 HydrophobicContact CE1-CE1 3.14Å; Y83-F103 AromaticContact CE1-CE2 3.6Å; Y83-F103 HydrophobicContact CE1-CE2 3.6Å; Y83-F103 AromaticContact CE1-CG 3.41Å; Y83-F103 HydrophobicContact CE1-CG 3.41Å; Y83-F103 VanDerWaalsContact CE1-CG 3.41Å; Y83-F103 AromaticContact CE1-CZ 3.41Å; Y83-F103 HydrophobicContact CE1-CZ 3.41Å; Y83-F103 VanDerWaalsContact CE1-CZ 3.41Å; Y83-F103 HydrophobicContact CE2-CD1 4.32Å; Y83-F103 AromaticContact CE2-CD2 3.2Å; Y83-F103 HydrophobicContact CE2-CD2 3.2Å; Y83-F103 HydrophobicContact CE2-CE1 4.4Å; Y83-F103 AromaticContact CE2-CE2 3.26Å; Y83-F103 HydrophobicContact CE2-CE2 3.26Å; Y83-F103 AromaticContact CE2-CG 3.79Å; Y83-F103 HydrophobicContact CE2-CG 3.79Å; Y83-F103 AromaticContact CE2-CZ 3.93Å; Y83-F103 HydrophobicContact CE2-CZ 3.93Å; Y83-F103 HydrophobicContact CG-CD1 4.42Å; Y83-F103 HydrophobicContact CG-CD2 4.04Å; Y83-F103 AromaticContact CG-CE1 3.75Å; Y83-F103 HydrophobicContact CG-CE1 3.75Å; Y83-F103 AromaticContact CG-CE2 3.24Å; Y83-F103 HydrophobicContact CG-CE2 3.24Å; Y83-F103 AromaticContact CG-CZ 3.11Å; Y83-F103 HydrophobicContact CG-CZ 3.11Å; Y83-F103 AromaticContact CZ-CD1 3.49Å; Y83-F103 VanDerWaalsContact CZ-CD1 3.49Å; Y83-F103 AromaticContact CZ-CD2 3.16Å; Y83-F103 AromaticContact CZ-CE1 3.82Å; Y83-F103 AromaticContact CZ-CE2 3.47Å; Y83-F103 VanDerWaalsContact CZ-CE2 3.47Å; Y83-F103 AromaticContact CZ-CG 3.19Å; Y83-F103 AromaticContact CZ-CZ 3.83Å; Y83-F103 WeakPolarHBondContact OH-CB 3.45Å; Y83-F103 VanDerWaalsContact OH-CG 3.3Å; Y83-F103 WeakPolarHBondContact OH-CG 3.37Å; V99-F103 HydrophobicContact CG1-CD2 3.56Å; V99-F103 HydrophobicContact CG1-CE2 3.22Å; V99-F103 HydrophobicContact CG1-CZ 4.35Å; V99-F103 WeakPolarHBondContact O-CD2 3.41Å; V99-F103 WeakPolarHBondContact O-CG 3.25Å; V99-F103 PolarHBondContact O-N 3.45Å; K100-F103 PolarHBondContact O-N 3.36Å; Y101-F103 VanDerWaalsContact C-N 3.29Å; Y101-F103 PolarHBondContact O-N 2.83Å; F103-M105 VanDerWaalsContact C-N 3.3Å; F103-M105 PolarHBondContact O-N 3.25Å; F103-S106 PolarHBondContact O-N 3Å; F103-S106 VanDerWaalsContact O-N 3.13Å; F103-K107 WeakPolarHBondContact O-CG 3.34Å; F103-K107 PolarHBondContact O-N 3.27Å |
| 104 | L | 71.3 | Confident | 78 | Confident | 68 Ų | 68 | 90.5 Ų | 90.5 | 36% | 0.356 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.4 | -41.9 | 172 | -158.9 | 72.4 | 0 | 0 | 0 | 111.3 | K100 Y101 S106 K107 W109 | K100-L104 VanDerWaalsContact O-CB 3.25Å; K100-L104 WeakPolarHBondContact O-CB 3.19Å; K100-L104 PolarHBondContact O-N 3.01Å; Y101-L104 CarbonylContact O-C 3.53Å; Y101-L104 WeakPolarHBondContact O-CB 3.25Å; Y101-L104 PolarHBondContact O-N 3.36Å; Y101-L104 VanDerWaalsContact O-N 3.15Å; L104-S106 VanDerWaalsContact C-N 3.29Å; L104-S106 PolarHBondContact O-N 3.29Å; L104-K107 HydrophobicContact CD1-CD 4.29Å; L104-K107 WeakPolarHBondContact O-CB 3.22Å; L104-K107 PolarHBondContact O-N 3.24Å; L104-W109 HydrophobicContact CD1-CZ2 3.77Å; L104-W109 HydrophobicContact CG-CZ2 4.04Å |
| 105 | M | 70.4 | Confident | 78.2 | Confident | 61 Ų | 61 | 88.9 Ų | 88.9 | 30% | 0.3 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -69.4 | -26.1 | 175.2 | -72.7 | -155.3 | -69.8 | 0 | 0 | 113 | Y101 Y102 F103 K107 F110 | Y101-M105 HydrophobicContact CD1-CE 3.38Å; Y101-M105 HydrophobicContact CD1-CG 4.06Å; Y101-M105 HydrophobicContact CD1-SD 3.93Å; Y101-M105 HydrophobicContact CD2-CG 4.38Å; Y101-M105 HydrophobicContact CE1-CE 3.13Å; Y101-M105 HydrophobicContact CE1-CG 3.72Å; Y101-M105 HydrophobicContact CE1-SD 3.18Å; Y101-M105 WeakPolarHBondContact CE1-SD 3.33Å; Y101-M105 HydrophobicContact CE2-CG 4.05Å; Y101-M105 HydrophobicContact CE2-SD 4.37Å; Y101-M105 HydrophobicContact CG-CE 4.44Å; Y101-M105 HydrophobicContact CG-CG 4.37Å; Y101-M105 WeakPolarHBondContact O-CB 3.46Å; Y101-M105 VanDerWaalsContact O-CG 3.31Å; Y101-M105 WeakPolarHBondContact O-CG 3.18Å; Y101-M105 PolarHBondContact O-N 3.32Å; Y101-M105 PolarHBondContact OH-SD 2.87Å; Y102-M105 PolarHBondContact O-N 3.01Å; F103-M105 VanDerWaalsContact C-N 3.3Å; F103-M105 PolarHBondContact O-N 3.25Å; M105-K107 VanDerWaalsContact C-N 3.28Å; M105-K107 PolarHBondContact O-N 3.4Å; M105-F110 HydrophobicContact CB-CD1 3.75Å; M105-F110 HydrophobicContact CB-CE1 3.69Å; M105-F110 HydrophobicContact CB-CG 4.38Å; M105-F110 HydrophobicContact CB-CZ 4.31Å; M105-F110 HydrophobicContact CG-CD1 3.89Å; M105-F110 HydrophobicContact CG-CD2 4.46Å; M105-F110 HydrophobicContact CG-CE1 3.43Å; M105-F110 VanDerWaalsContact CG-CE1 3.43Å; M105-F110 HydrophobicContact CG-CE2 4.09Å; M105-F110 HydrophobicContact CG-CG 4.37Å; M105-F110 HydrophobicContact CG-CZ 3.54Å; M105-F110 VanDerWaalsContact O-CD1 3.25Å; M105-F110 WeakPolarHBondContact O-CD1 3.39Å; M105-F110 HydrophobicContact SD-CE1 3.65Å; M105-F110 HydrophobicContact SD-CZ 3.67Å |
| 106 | S | 71.3 | Confident | 78.4 | Confident | 68 Ų | 68 | 90 Ų | 90 | 48% | 0.476 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -77.8 | -12.7 | 174.8 | -168.3 | 0 | 0 | 0 | 0 | 113.3 | Y102 F103 L104 | Y102-S106 PolarHBondContact O-N 3.12Å; F103-S106 PolarHBondContact O-N 3Å; F103-S106 VanDerWaalsContact O-N 3.13Å; L104-S106 VanDerWaalsContact C-N 3.29Å; L104-S106 PolarHBondContact O-N 3.29Å |
| 107 | K | 80.5 | Confident | 78.7 | Confident | 111 Ų | 111 | 90.1 Ų | 90.1 | 48% | 0.483 | 44% | 0.435 | S | S | . | . | S | Bend | trans | -71.4 | 146 | 178.8 | -64.8 | -172.6 | 170.9 | 170 | 0 | 111.2 | F103 L104 M105 W109 F110 K111 | F103-K107 WeakPolarHBondContact O-CG 3.34Å; F103-K107 PolarHBondContact O-N 3.27Å; L104-K107 HydrophobicContact CD1-CD 4.29Å; L104-K107 WeakPolarHBondContact O-CB 3.22Å; L104-K107 PolarHBondContact O-N 3.24Å; M105-K107 VanDerWaalsContact C-N 3.28Å; M105-K107 PolarHBondContact O-N 3.4Å; K107-W109 PolarHBondContact O-N 3.14Å; K107-F110 PolarHBondContact O-N 3.48Å; K107-K111 PolarHBondContact O-N 2.94Å; K107-K111 VanDerWaalsContact O-N 3.12Å |
| 108 | W | 73.8 | Confident | 79 | Confident | 221 Ų | 221 | 87.6 Ų | 87.6 | 84% | 0.837 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -58.6 | -38.9 | -175.3 | -81.5 | 4.2 | 0 | 0 | 0 | 114.7 | F110 K111 S112 | W108-F110 VanDerWaalsContact C-N 3.31Å; W108-F110 PolarHBondContact O-N 2.79Å; W108-K111 PolarHBondContact O-N 2.89Å; W108-S112 WeakPolarHBondContact O-CB 3.36Å; W108-S112 PolarHBondContact O-N 2.87Å; W108-S112 PolarHBondContact O-OG 3.46Å; W108-S112 VanDerWaalsContact O-OG 3.08Å |
| 109 | W | 81.8 | Confident | 79.2 | Confident | 162 Ų | 162 | 90.4 Ų | 90.4 | 61% | 0.614 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -58.7 | -37.4 | 172.9 | 68.9 | -50.9 | 0 | 0 | 0 | 113.4 | L104 K107 L113 | L104-W109 HydrophobicContact CD1-CZ2 3.77Å; L104-W109 HydrophobicContact CG-CZ2 4.04Å; K107-W109 PolarHBondContact O-N 3.14Å; W109-L113 VanDerWaalsContact O-CB 3.24Å; W109-L113 WeakPolarHBondContact O-CB 3.21Å; W109-L113 PolarHBondContact O-N 3.48Å |
| 110 | F | 82 | Confident | 79.4 | Confident | 49 Ų | 49 | 97.3 Ų | 97.3 | 22% | 0.215 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -72.6 | -41 | 175.8 | -173.3 | -92.6 | 0 | 0 | 0 | 111.4 | M105 K107 W108 S112 L113 V114 | M105-F110 HydrophobicContact CB-CD1 3.75Å; M105-F110 HydrophobicContact CB-CE1 3.69Å; M105-F110 HydrophobicContact CB-CG 4.38Å; M105-F110 HydrophobicContact CB-CZ 4.31Å; M105-F110 HydrophobicContact CG-CD1 3.89Å; M105-F110 HydrophobicContact CG-CD2 4.46Å; M105-F110 HydrophobicContact CG-CE1 3.43Å; M105-F110 VanDerWaalsContact CG-CE1 3.43Å; M105-F110 HydrophobicContact CG-CE2 4.09Å; M105-F110 HydrophobicContact CG-CG 4.37Å; M105-F110 HydrophobicContact CG-CZ 3.54Å; M105-F110 VanDerWaalsContact O-CD1 3.25Å; M105-F110 WeakPolarHBondContact O-CD1 3.39Å; M105-F110 HydrophobicContact SD-CE1 3.65Å; M105-F110 HydrophobicContact SD-CZ 3.67Å; K107-F110 PolarHBondContact O-N 3.48Å; W108-F110 VanDerWaalsContact C-N 3.31Å; W108-F110 PolarHBondContact O-N 2.79Å; F110-S112 VanDerWaalsContact C-N 3.32Å; F110-S112 PolarHBondContact O-N 2.8Å; F110-L113 WeakPolarHBondContact O-CB 3.35Å; F110-L113 PolarHBondContact O-N 3.45Å; F110-V114 HydrophobicContact CD1-CG2 3.85Å; F110-V114 HydrophobicContact CE1-CG2 3.48Å; F110-V114 VanDerWaalsContact CE1-CG2 3.48Å; F110-V114 HydrophobicContact CE2-CG2 4.5Å; F110-V114 HydrophobicContact CZ-CG2 3.84Å; F110-V114 WeakPolarHBondContact O-CG2 3.44Å; F110-V114 PolarHBondContact O-N 2.83Å |
| 111 | K | 81.2 | Confident | 79.4 | Confident | 121 Ų | 121 | 97.7 Ų | 97.7 | 53% | 0.526 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.6 | -42.3 | 174.1 | -60 | -178.3 | 87.5 | 76.3 | 0 | 111.2 | K107 W108 V114 L115 | K107-K111 PolarHBondContact O-N 2.94Å; K107-K111 VanDerWaalsContact O-N 3.12Å; W108-K111 PolarHBondContact O-N 2.89Å; K111-V114 PolarHBondContact O-N 2.78Å; K111-L115 VanDerWaalsContact O-CB 3.25Å; K111-L115 WeakPolarHBondContact O-CB 3.47Å; K111-L115 PolarHBondContact O-N 2.89Å |
| 112 | S | 84.7 | Confident | 79 | Confident | 77 Ų | 77 | 95 Ų | 95 | 54% | 0.538 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.1 | -38.1 | 174 | -65.2 | 0 | 0 | 0 | 0 | 112.2 | W108 F110 L115 C116 | W108-S112 WeakPolarHBondContact O-CB 3.36Å; W108-S112 PolarHBondContact O-N 2.87Å; W108-S112 PolarHBondContact O-OG 3.46Å; W108-S112 VanDerWaalsContact O-OG 3.08Å; F110-S112 VanDerWaalsContact C-N 3.32Å; F110-S112 PolarHBondContact O-N 2.8Å; S112-L115 PolarHBondContact O-N 2.69Å; S112-C116 WeakPolarHBondContact O-CB 3.31Å; S112-C116 PolarHBondContact O-N 2.79Å |
| 113 | L | 86.3 | Confident | 78.3 | Confident | 97 Ų | 97 | 91.5 Ų | 91.5 | 51% | 0.508 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.5 | -47.1 | 174.4 | -179.1 | 66.7 | 0 | 0 | 0 | 110.9 | W109 F110 C116 C117 | W109-L113 VanDerWaalsContact O-CB 3.24Å; W109-L113 WeakPolarHBondContact O-CB 3.21Å; W109-L113 PolarHBondContact O-N 3.48Å; F110-L113 WeakPolarHBondContact O-CB 3.35Å; F110-L113 PolarHBondContact O-N 3.45Å; L113-C116 PolarHBondContact O-N 3.2Å; L113-C117 VanDerWaalsContact O-CB 3.24Å; L113-C117 WeakPolarHBondContact O-CB 3.37Å; L113-C117 PolarHBondContact O-N 2.82Å; L113-C117 PolarHBondContact O-SG 2.8Å |
| 114 | V | 85.6 | Confident | 77.9 | Confident | 64 Ų | 64 | 93.6 Ų | 93.6 | 39% | 0.388 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.1 | -40.5 | 177.1 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | F110 K111 C117 T118 | F110-V114 HydrophobicContact CD1-CG2 3.85Å; F110-V114 HydrophobicContact CE1-CG2 3.48Å; F110-V114 VanDerWaalsContact CE1-CG2 3.48Å; F110-V114 HydrophobicContact CE2-CG2 4.5Å; F110-V114 HydrophobicContact CZ-CG2 3.84Å; F110-V114 WeakPolarHBondContact O-CG2 3.44Å; F110-V114 PolarHBondContact O-N 2.83Å; K111-V114 PolarHBondContact O-N 2.78Å; V114-C117 PolarHBondContact O-N 3.46Å; V114-T118 HydrophobicContact CG1-CG2 4.3Å; V114-T118 WeakPolarHBondContact O-CB 3.48Å; V114-T118 WeakPolarHBondContact O-CG2 3.24Å; V114-T118 PolarHBondContact O-N 3.15Å; V114-T118 PolarHBondContact O-OG1 3.08Å |
| 115 | L | 85.3 | Confident | 77.4 | Confident | 107 Ų | 107 | 94.4 Ų | 94.4 | 56% | 0.56 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.9 | -41.8 | 176.9 | -159.6 | 153.4 | 0 | 0 | 0 | 111 | K111 S112 T118 L119 | K111-L115 VanDerWaalsContact O-CB 3.25Å; K111-L115 WeakPolarHBondContact O-CB 3.47Å; K111-L115 PolarHBondContact O-N 2.89Å; S112-L115 PolarHBondContact O-N 2.69Å; L115-T118 WeakPolarHBondContact CA-OG1 3.23Å; L115-T118 PolarHBondContact O-OG1 3.26Å; L115-L119 HydrophobicContact CD2-CD1 3.5Å; L115-L119 VanDerWaalsContact CD2-CD1 3.5Å; L115-L119 HydrophobicContact CD2-CG 4.05Å; L115-L119 WeakPolarHBondContact O-CB 3.25Å; L115-L119 WeakPolarHBondContact O-CG 3.1Å; L115-L119 PolarHBondContact O-N 3.37Å |
| 116 | C | 84.4 | Confident | 76.9 | Confident | 57 Ų | 57 | 94.9 Ų | 94.9 | 39% | 0.385 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64 | -49.7 | 173.8 | -170.5 | 0 | 0 | 0 | 0 | 111.1 | S112 L113 T118 L119 F120 | S112-C116 WeakPolarHBondContact O-CB 3.31Å; S112-C116 PolarHBondContact O-N 2.79Å; L113-C116 PolarHBondContact O-N 3.2Å; C116-T118 PolarHBondContact O-N 3.45Å; C116-L119 PolarHBondContact O-N 3.38Å; C116-L119 VanDerWaalsContact O-N 3.17Å; C116-F120 WeakPolarHBondContact O-CB 2.81Å; C116-F120 WeakPolarHBondContact O-CD2 3.37Å; C116-F120 PolarHBondContact O-N 3.36Å; C116-F120 WeakPolarHBondContact SG-CD2 2.97Å; C116-F120 VanDerWaalsContact SG-CE2 3.54Å |
| 117 | C | 81.9 | Confident | 76.1 | Confident | 64 Ų | 64 | 95.3 Ų | 95.3 | 43% | 0.432 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.9 | -45.4 | 177 | -74.6 | 0 | 0 | 0 | 0 | 111.4 | L113 V114 F120 T121 | L113-C117 VanDerWaalsContact O-CB 3.24Å; L113-C117 WeakPolarHBondContact O-CB 3.37Å; L113-C117 PolarHBondContact O-N 2.82Å; L113-C117 PolarHBondContact O-SG 2.8Å; V114-C117 PolarHBondContact O-N 3.46Å; C117-F120 PolarHBondContact O-N 2.73Å; C117-T121 WeakPolarHBondContact O-CB 3.5Å; C117-T121 VanDerWaalsContact O-CG2 3.29Å; C117-T121 WeakPolarHBondContact O-CG2 3.24Å; C117-T121 PolarHBondContact O-N 3.34Å; C117-T121 PolarHBondContact O-OG1 2.8Å |
| 118 | T | 82.6 | Confident | 74.9 | Confident | 73 Ų | 73 | 93.4 Ų | 93.4 | 45% | 0.448 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.3 | -37.6 | 176.3 | 51.3 | 0 | 0 | 0 | 0 | 111.9 | V114 L115 C116 C122 | V114-T118 HydrophobicContact CG1-CG2 4.3Å; V114-T118 WeakPolarHBondContact O-CB 3.48Å; V114-T118 WeakPolarHBondContact O-CG2 3.24Å; V114-T118 PolarHBondContact O-N 3.15Å; V114-T118 PolarHBondContact O-OG1 3.08Å; L115-T118 WeakPolarHBondContact CA-OG1 3.23Å; L115-T118 PolarHBondContact O-OG1 3.26Å; C116-T118 PolarHBondContact O-N 3.45Å; T118-C122 WeakPolarHBondContact O-CA 3.49Å; T118-C122 WeakPolarHBondContact O-CB 3.33Å; T118-C122 PolarHBondContact O-N 2.84Å |
| 119 | L | 83.4 | Confident | 74 | Confident | 111 Ų | 111 | 86.5 Ų | 86.5 | 58% | 0.581 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -67.2 | -42 | 173.6 | -72.5 | 177.3 | 0 | 0 | 0 | 112.2 | L115 C116 C123 | L115-L119 HydrophobicContact CD2-CD1 3.5Å; L115-L119 VanDerWaalsContact CD2-CD1 3.5Å; L115-L119 HydrophobicContact CD2-CG 4.05Å; L115-L119 WeakPolarHBondContact O-CB 3.25Å; L115-L119 WeakPolarHBondContact O-CG 3.1Å; L115-L119 PolarHBondContact O-N 3.37Å; C116-L119 PolarHBondContact O-N 3.38Å; C116-L119 VanDerWaalsContact O-N 3.17Å; L119-C123 WeakPolarHBondContact O-CA 3.48Å; L119-C123 WeakPolarHBondContact O-CB 3.28Å; L119-C123 PolarHBondContact O-N 3.34Å |
| 120 | F | 79.3 | Confident | 72.7 | Confident | 145 Ų | 145 | 84.1 Ų | 84.1 | 64% | 0.636 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -72.1 | -41.8 | 179.2 | -89 | -86.1 | 0 | 0 | 0 | 112.4 | C116 C117 C124 | C116-F120 WeakPolarHBondContact O-CB 2.81Å; C116-F120 WeakPolarHBondContact O-CD2 3.37Å; C116-F120 PolarHBondContact O-N 3.36Å; C116-F120 WeakPolarHBondContact SG-CD2 2.97Å; C116-F120 VanDerWaalsContact SG-CE2 3.54Å; C117-F120 PolarHBondContact O-N 2.73Å; F120-C124 WeakPolarHBondContact O-CB 3.36Å; F120-C124 PolarHBondContact O-N 2.79Å; F120-C124 PolarHBondContact O-SG 3.41Å |
| 121 | T | 76.1 | Confident | 71 | Confident | 90 Ų | 90 | 91 Ų | 91 | 55% | 0.552 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -76.4 | -35.3 | 177.8 | 60.8 | 0 | 0 | 0 | 0 | 112.2 | C117 C124 C125 | C117-T121 WeakPolarHBondContact O-CB 3.5Å; C117-T121 VanDerWaalsContact O-CG2 3.29Å; C117-T121 WeakPolarHBondContact O-CG2 3.24Å; C117-T121 PolarHBondContact O-N 3.34Å; C117-T121 PolarHBondContact O-OG1 2.8Å; T121-C124 CarbonylContact O-C 3.57Å; T121-C124 PolarHBondContact O-N 2.83Å; T121-C125 PolarHBondContact O-N 2.75Å |
| 122 | C | 69.7 | Low | 69.6 | Low | 68 Ų | 68 | 88.1 Ų | 88.1 | 46% | 0.459 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -71 | -32.4 | 171.5 | -169.5 | 0 | 0 | 0 | 0 | 111.2 | T118 C125 C126 | T118-C122 WeakPolarHBondContact O-CA 3.49Å; T118-C122 WeakPolarHBondContact O-CB 3.33Å; T118-C122 PolarHBondContact O-N 2.84Å; C122-C125 PolarHBondContact O-N 2.8Å; C122-C126 VanDerWaalsContact O-CB 3.23Å; C122-C126 WeakPolarHBondContact O-CB 3.08Å; C122-C126 PolarHBondContact O-N 3.33Å |
| 123 | C | 62 | Low | 67.9 | Low | 67 Ų | 67 | 89.8 Ų | 89.8 | 45% | 0.453 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66 | -40.6 | 168.9 | -171.9 | 0 | 0 | 0 | 0 | 110.7 | L119 C125 C127 | L119-C123 WeakPolarHBondContact O-CA 3.48Å; L119-C123 WeakPolarHBondContact O-CB 3.28Å; L119-C123 PolarHBondContact O-N 3.34Å; C123-C125 PolarHBondContact O-N 3.23Å; C123-C127 WeakPolarHBondContact O-CA 3.5Å; C123-C127 WeakPolarHBondContact O-CB 3.29Å; C123-C127 PolarHBondContact O-N 3.07Å; C123-C127 PolarHBondContact O-SG 3.06Å; C123-C127 VanDerWaalsContact O-SG 3.4Å |
| 124 | C | 62.1 | Low | 66.3 | Low | 85 Ų | 85 | 88.8 Ų | 88.8 | 57% | 0.574 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.5 | -31.2 | 172.6 | -70.7 | 0 | 0 | 0 | 0 | 113.4 | F120 T121 C128 | F120-C124 WeakPolarHBondContact O-CB 3.36Å; F120-C124 PolarHBondContact O-N 2.79Å; F120-C124 PolarHBondContact O-SG 3.41Å; T121-C124 CarbonylContact O-C 3.57Å; T121-C124 PolarHBondContact O-N 2.83Å; C124-C128 WeakPolarHBondContact O-CB 3.45Å; C124-C128 PolarHBondContact O-N 3.34Å; C124-C128 PolarHBondContact O-SG 3.17Å |
| 125 | C | 61.9 | Low | 64.9 | Low | 85 Ų | 85 | 94.9 Ų | 94.9 | 57% | 0.574 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -79.1 | -48.2 | 172.9 | -89.4 | 0 | 0 | 0 | 0 | 112.5 | T121 C122 C123 C129 | T121-C125 PolarHBondContact O-N 2.75Å; C122-C125 PolarHBondContact O-N 2.8Å; C123-C125 PolarHBondContact O-N 3.23Å; C125-C129 VanDerWaalsContact O-CB 3.28Å; C125-C129 WeakPolarHBondContact O-CB 3.35Å; C125-C129 PolarHBondContact O-N 2.93Å; C125-C129 PolarHBondContact O-SG 2.87Å |
| 126 | C | 58.2 | Low | 63.2 | Low | 70 Ų | 70 | 94.6 Ų | 94.6 | 47% | 0.473 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -72.5 | -37.4 | -178.2 | -75.1 | 0 | 0 | 0 | 0 | 113.1 | C122 C129 C130 | C122-C126 VanDerWaalsContact O-CB 3.23Å; C122-C126 WeakPolarHBondContact O-CB 3.08Å; C122-C126 PolarHBondContact O-N 3.33Å; C126-C129 PolarHBondContact O-N 3.49Å; C126-C130 WeakPolarHBondContact O-CB 3.06Å; C126-C130 PolarHBondContact O-N 3.4Å; C126-C130 PolarHBondContact O-SG 2.82Å; C126-C130 VanDerWaalsContact O-SG 3.36Å |
| 127 | C | 54.8 | Low | 61.7 | Low | 77 Ų | 77 | 99 Ų | 99 | 52% | 0.52 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -76.5 | -28.6 | 176 | -63.7 | 0 | 0 | 0 | 0 | 112.2 | C123 F131 | C123-C127 WeakPolarHBondContact O-CA 3.5Å; C123-C127 WeakPolarHBondContact O-CB 3.29Å; C123-C127 PolarHBondContact O-N 3.07Å; C123-C127 PolarHBondContact O-SG 3.06Å; C123-C127 VanDerWaalsContact O-SG 3.4Å; C127-F131 PolarHBondContact O-N 2.84Å |
| 128 | C | 55.4 | Low | 60.8 | Low | 71 Ų | 71 | 100.5 Ų | 100.5 | 48% | 0.48 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -73.5 | -36.9 | 168.9 | -68.6 | 0 | 0 | 0 | 0 | 111.7 | C124 C132 | C124-C128 WeakPolarHBondContact O-CB 3.45Å; C124-C128 PolarHBondContact O-N 3.34Å; C124-C128 PolarHBondContact O-SG 3.17Å; C128-C132 WeakPolarHBondContact O-CA 3.46Å; C128-C132 WeakPolarHBondContact O-CB 3.44Å; C128-C132 PolarHBondContact O-N 2.97Å; C128-C132 PolarHBondContact O-SG 3.34Å; C128-C132 VanDerWaalsContact O-SG 3.34Å |
| 129 | C | 54.7 | Low | 60 | Low | 77 Ų | 77 | 102 Ų | 102 | 52% | 0.52 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -74.2 | -30.6 | 178.3 | -66.4 | 0 | 0 | 0 | 0 | 113.5 | C125 C126 C133 | C125-C129 VanDerWaalsContact O-CB 3.28Å; C125-C129 WeakPolarHBondContact O-CB 3.35Å; C125-C129 PolarHBondContact O-N 2.93Å; C125-C129 PolarHBondContact O-SG 2.87Å; C126-C129 PolarHBondContact O-N 3.49Å; C129-C133 WeakPolarHBondContact O-CB 3.46Å; C129-C133 PolarHBondContact O-SG 3.46Å |
| 130 | C | 55 | Low | 58.9 | Low | 112 Ų | 112 | 102.1 Ų | 102.1 | 76% | 0.757 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -84.3 | -21.5 | 179.3 | -68.5 | 0 | 0 | 0 | 0 | 114.2 | C126 | C126-C130 WeakPolarHBondContact O-CB 3.06Å; C126-C130 PolarHBondContact O-N 3.4Å; C126-C130 PolarHBondContact O-SG 2.82Å; C126-C130 VanDerWaalsContact O-SG 3.36Å |
| 131 | F | 47.4 | Very low | 57.8 | Low | 194 Ų | 194 | 101.8 Ų | 101.8 | 85% | 0.851 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -109.9 | -12.5 | 177.2 | -136.5 | -100.3 | 0 | 0 | 0 | 114.5 | C127 | C127-F131 PolarHBondContact O-N 2.84Å |
| 132 | C | 50.2 | Low | 56.9 | Low | 60 Ų | 60 | 106.1 Ų | 106.1 | 41% | 0.405 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -98.7 | -8.2 | 174.6 | -59.1 | 0 | 0 | 0 | 0 | 114.9 | C128 G134 K135 C136 | C128-C132 WeakPolarHBondContact O-CA 3.46Å; C128-C132 WeakPolarHBondContact O-CB 3.44Å; C128-C132 PolarHBondContact O-N 2.97Å; C128-C132 PolarHBondContact O-SG 3.34Å; C128-C132 VanDerWaalsContact O-SG 3.34Å; C132-G134 PolarHBondContact O-N 3.02Å; C132-K135 PolarHBondContact O-N 3.3Å; C132-K135 VanDerWaalsContact O-N 3.14Å; C132-C136 PolarHBondContact O-N 3.4Å |
| 133 | C | 50 | Low | 56.3 | Low | 112 Ų | 112 | 111.8 Ų | 111.8 | 76% | 0.757 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 4.1 | 177.6 | -81.3 | 0 | 0 | 0 | 0 | 115.3 | C129 | C129-C133 WeakPolarHBondContact O-CB 3.46Å; C129-C133 PolarHBondContact O-SG 3.46Å |
| 134 | G | 53.7 | Low | 56 | Low | 75 Ų | 75 | 115.1 Ų | 115.1 | 77% | 0.773 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | -6.7 | 170 | 0 | 0 | 0 | 0 | 0 | 115.4 | C132 | C132-G134 PolarHBondContact O-N 3.02Š|
| 135 | K | 55.8 | Low | 55.3 | Low | 192 Ų | 192 | 121.4 Ų | 121.4 | 84% | 0.835 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -133.4 | 8 | -174.2 | -99.7 | -90.2 | 169.5 | 65 | 0 | 114 | C132 | C132-K135 PolarHBondContact O-N 3.3Å; C132-K135 VanDerWaalsContact O-N 3.14Å |
| 136 | C | 49.5 | Very low | 54.9 | Low | 101 Ų | 101 | 124.9 Ų | 124.9 | 68% | 0.682 | 69% | 0.686 | S | S | * | * | trans | -105.2 | 57.2 | 164.1 | -65 | 0 | 0 | 0 | 0 | 109.4 | C132 P138 | C132-C136 PolarHBondContact O-N 3.4Å; C136-P138 VanDerWaalsContact O-CD 3.29Å; C136-P138 WeakPolarHBondContact O-CD 3.49Å | ||
| 137 | K | 52.4 | Low | 54.9 | Low | 149 Ų | 149 | 129.7 Ų | 129.7 | 65% | 0.648 | 70% | 0.695 | S | S | * | * | trans | -79.2 | 108.1 | 153.2 | -176.7 | 168.1 | 167 | 73.2 | 0 | 103.8 | D140 | K137-D140 WeakPolarHBondContact CE-OD2 3.4Å; K137-D140 IonicContact NZ-OD1 3.83Å; K137-D140 IonicContact NZ-OD2 2.64Å; K137-D140 PolarHBondContact NZ-OD2 2.92Å | ||
| 138 | P | 63.9 | Low | 55.4 | Low | 96 Ų | 96 | 130.2 Ų | 130.2 | 62% | 0.623 | 70% | 0.696 | S | S | * | * | trans | -53.1 | 137.5 | 163.6 | 25.2 | -31 | 0 | 0 | 0 | 106.2 | C136 D140 | C136-P138 VanDerWaalsContact O-CD 3.29Å; C136-P138 WeakPolarHBondContact O-CD 3.49Å; P138-D140 PolarHBondContact O-N 3.25Å | ||
| 139 | P | 65 | Low | 56.1 | Low | 106 Ų | 106 | 130.4 Ų | 130.4 | 69% | 0.688 | 69% | 0.692 | S | S | * | * | trans | -49.6 | 132.4 | 171.3 | 23.7 | -31.8 | 0 | 0 | 0 | 107 | D141 | P139-D141 PolarHBondContact O-N 3.12Š| ||
| 140 | D | 60.9 | Low | 56.8 | Low | 113 Ų | 113 | 130.1 Ų | 130.1 | 60% | 0.604 | 69% | 0.689 | S | S | * | * | trans | -63.7 | 93.5 | 168.7 | -68.4 | -72.3 | 0 | 0 | 0 | 105.3 | K137 P138 E142 | K137-D140 WeakPolarHBondContact CE-OD2 3.4Å; K137-D140 IonicContact NZ-OD1 3.83Å; K137-D140 IonicContact NZ-OD2 2.64Å; K137-D140 PolarHBondContact NZ-OD2 2.92Å; P138-D140 PolarHBondContact O-N 3.25Å; D140-E142 PolarHBondContact O-N 3.46Å | ||
| 141 | D | 54.8 | Low | 57.4 | Low | 138 Ų | 138 | 132 Ų | 132 | 74% | 0.738 | 69% | 0.687 | S | S | * | * | trans | -74.6 | 73.7 | 167.6 | 54.6 | -60.2 | 0 | 0 | 0 | 107.8 | P139 E143 | P139-D141 PolarHBondContact O-N 3.12Å; D141-E143 PolarHBondContact O-N 3.1Å | ||
| 142 | E | 57.8 | Low | 58.5 | Low | 180 Ų | 180 | 128.4 Ų | 128.4 | 84% | 0.841 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | 7.9 | 179.3 | -126.4 | -173.8 | 141.7 | 0 | 0 | 113.7 | D140 | D140-E142 PolarHBondContact O-N 3.46Š|
| 143 | E | 57.8 | Low | 59.4 | Low | 188 Ų | 188 | 129.6 Ų | 129.6 | 88% | 0.879 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.9 | 24.5 | -168 | -73.4 | -153.5 | 128.7 | 0 | 0 | 118.8 | D141 | D141-E143 PolarHBondContact O-N 3.1Š|
| 144 | N | 54.9 | Low | 60.4 | Low | 136 Ų | 136 | 131 Ų | 131 | 73% | 0.727 | 67% | 0.673 | S | S | * | * | trans | -154.3 | 57.8 | 164.2 | -151 | -18.1 | 0 | 0 | 0 | 115.8 | ||||
| 145 | Y | 46.4 | Very low | 61.2 | Low | 217 Ų | 217 | 130 Ų | 130 | 85% | 0.851 | 66% | 0.658 | S | S | * | * | trans | -104 | 91.8 | 152.7 | -141.4 | -91.8 | 0 | 0 | 0 | 107.3 | Y147 | Y145-Y147 PolarHBondContact O-N 3.07Š| ||
| 146 | Q | 55.2 | Low | 61.6 | Low | 159 Ų | 159 | 127.4 Ų | 127.4 | 74% | 0.743 | 65% | 0.649 | S | S | * | * | trans | -62.7 | 93 | 164.7 | -174.8 | 88 | 11.1 | 0 | 0 | 106.6 | V148 | Q146-V148 PolarHBondContact O-N 3.48Š| ||
| 147 | Y | 57.3 | Low | 62.5 | Low | 170 Ų | 170 | 126.7 Ų | 126.7 | 67% | 0.667 | 64% | 0.637 | S | S | * | * | trans | -60.4 | 109.6 | 172.1 | -175.4 | -95.2 | 0 | 0 | 0 | 107.4 | Y145 D149 | Y145-Y147 PolarHBondContact O-N 3.07Å; Y147-D149 PolarHBondContact O-N 3.37Å | ||
| 148 | V | 65.1 | Low | 63.4 | Low | 89 Ų | 89 | 128.7 Ų | 128.7 | 54% | 0.539 | 64% | 0.641 | S | S | . | * | trans | -76.5 | 113.7 | 174 | -179.2 | 0 | 0 | 0 | 0 | 106.5 | Q146 L153 | Q146-V148 PolarHBondContact O-N 3.48Å; V148-L153 HydrophobicContact CG1-CB 4.19Å | ||
| 149 | D | 70.4 | Confident | 63.5 | Low | 74 Ų | 74 | 127.6 Ų | 127.6 | 40% | 0.396 | 64% | 0.64 | S | S | . | * | trans | -63.8 | 128.3 | 174.9 | -167.4 | -82.7 | 0 | 0 | 0 | 109.3 | Y147 E151 D152 L153 | Y147-D149 PolarHBondContact O-N 3.37Å; D149-E151 PolarHBondContact O-N 2.93Å; D149-E151 VanDerWaalsContact O-N 3.1Å; D149-E151 WeakPolarHBondContact OD1-CB 3.29Å; D149-E151 PolarHBondContact OD1-N 3.14Å; D149-E151 VanDerWaalsContact OD1-N 3.12Å; D149-D152 PolarHBondContact O-N 3.47Å; D149-D152 VanDerWaalsContact O-N 3.13Å; D149-L153 PolarHBondContact O-N 3.13Å | ||
| 150 | P | 69.6 | Low | 63.4 | Low | 72 Ų | 72 | 129 Ų | 129 | 47% | 0.468 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -56 | -27.2 | -176 | -26.6 | 34.4 | 0 | 0 | 0 | 114.6 | L153 E154 | P150-L153 PolarHBondContact O-N 3Å; P150-E154 PolarHBondContact O-N 3.24Å; P150-E154 VanDerWaalsContact O-N 3.07Å |
| 151 | E | 66.9 | Low | 63.4 | Low | 152 Ų | 152 | 131 Ų | 131 | 71% | 0.71 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -71.4 | -33.7 | -179.3 | -62.3 | -174 | 159.7 | 0 | 0 | 112.1 | D149 A155 | D149-E151 PolarHBondContact O-N 2.93Å; D149-E151 VanDerWaalsContact O-N 3.1Å; D149-E151 WeakPolarHBondContact OD1-CB 3.29Å; D149-E151 PolarHBondContact OD1-N 3.14Å; D149-E151 VanDerWaalsContact OD1-N 3.12Å; E151-A155 WeakPolarHBondContact O-CB 3.26Å; E151-A155 PolarHBondContact O-N 3.39Å |
| 152 | D | 70.5 | Confident | 63.5 | Low | 117 Ų | 117 | 131.3 Ų | 131.3 | 63% | 0.626 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -72.5 | -35.4 | 175.9 | -92.6 | -25.7 | 0 | 0 | 0 | 111.7 | D149 A155 Q156 | D149-D152 PolarHBondContact O-N 3.47Å; D149-D152 VanDerWaalsContact O-N 3.13Å; D152-A155 PolarHBondContact O-N 2.93Å; D152-Q156 WeakPolarHBondContact O-CB 3.02Å; D152-Q156 PolarHBondContact O-N 3.38Å |
| 153 | L | 69.2 | Low | 63.2 | Low | 85 Ų | 85 | 125.3 Ų | 125.3 | 45% | 0.445 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -69.8 | -39.4 | 176.4 | -169.9 | 63.2 | 0 | 0 | 0 | 111.3 | V148 D149 P150 Q156 I157 | V148-L153 HydrophobicContact CG1-CB 4.19Å; D149-L153 PolarHBondContact O-N 3.13Å; P150-L153 PolarHBondContact O-N 3Å; L153-Q156 PolarHBondContact O-N 2.94Å; L153-I157 HydrophobicContact CG-CD1 4.02Å; L153-I157 WeakPolarHBondContact O-CB 3.46Å; L153-I157 WeakPolarHBondContact O-CD1 3.35Å; L153-I157 WeakPolarHBondContact O-CG1 3.46Å; L153-I157 PolarHBondContact O-N 3.37Å |
| 154 | E | 70.5 | Confident | 62.7 | Low | 141 Ų | 141 | 119.7 Ų | 119.7 | 66% | 0.659 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -67.4 | -35.7 | 172.5 | -79.8 | -170.1 | 132.3 | 0 | 0 | 112.4 | P150 R158 | P150-E154 PolarHBondContact O-N 3.24Å; P150-E154 VanDerWaalsContact O-N 3.07Å; E154-R158 VanDerWaalsContact O-CB 3.26Å; E154-R158 WeakPolarHBondContact O-CB 3.49Å; E154-R158 PolarHBondContact O-N 2.96Å |
| 155 | A | 70.6 | Confident | 62.3 | Low | 54 Ų | 54 | 119.4 Ų | 119.4 | 45% | 0.446 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -65.5 | -38.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | E151 D152 A159 | E151-A155 WeakPolarHBondContact O-CB 3.26Å; E151-A155 PolarHBondContact O-N 3.39Å; D152-A155 PolarHBondContact O-N 2.93Å; A155-A159 WeakPolarHBondContact O-CB 3.35Å; A155-A159 PolarHBondContact O-N 3.43Å |
| 156 | Q | 63.8 | Low | 62.2 | Low | 139 Ų | 139 | 114.7 Ų | 114.7 | 65% | 0.65 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -68.7 | -44 | 176.1 | -129.9 | 167.6 | 39.3 | 0 | 0 | 112 | D152 L153 R158 A159 D160 | D152-Q156 WeakPolarHBondContact O-CB 3.02Å; D152-Q156 PolarHBondContact O-N 3.38Å; L153-Q156 PolarHBondContact O-N 2.94Å; Q156-R158 VanDerWaalsContact C-N 3.3Å; Q156-R158 PolarHBondContact O-N 2.93Å; Q156-A159 PolarHBondContact O-N 3.36Å; Q156-D160 WeakPolarHBondContact O-CB 3.2Å; Q156-D160 PolarHBondContact O-N 3.45Å |
| 157 | I | 68.5 | Low | 61.8 | Low | 85 Ų | 85 | 113.6 Ų | 113.6 | 44% | 0.436 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -65.7 | -34.1 | 176.6 | -67.8 | 164 | 0 | 0 | 0 | 111.5 | L153 Q161 | L153-I157 HydrophobicContact CG-CD1 4.02Å; L153-I157 WeakPolarHBondContact O-CB 3.46Å; L153-I157 WeakPolarHBondContact O-CD1 3.35Å; L153-I157 WeakPolarHBondContact O-CG1 3.46Å; L153-I157 PolarHBondContact O-N 3.37Å; I157-Q161 WeakPolarHBondContact O-CG 3.13Å; I157-Q161 PolarHBondContact O-N 3.01Å |
| 158 | R | 72.2 | Confident | 61.3 | Low | 192 Ų | 192 | 112.1 Ų | 112.1 | 73% | 0.725 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -69.9 | -41.9 | 173.5 | -173.4 | -178.2 | -73.2 | 176.7 | -0.1 | 111.3 | E154 Q156 D160 Q161 | E154-R158 VanDerWaalsContact O-CB 3.26Å; E154-R158 WeakPolarHBondContact O-CB 3.49Å; E154-R158 PolarHBondContact O-N 2.96Å; Q156-R158 VanDerWaalsContact C-N 3.3Å; Q156-R158 PolarHBondContact O-N 2.93Å; R158-D160 VanDerWaalsContact C-N 3.32Å; R158-D160 PolarHBondContact O-N 3.24Å; R158-Q161 PolarHBondContact O-N 2.95Å |
| 159 | A | 66.3 | Low | 60.8 | Low | 72 Ų | 72 | 114.9 Ų | 114.9 | 60% | 0.595 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -65.1 | -34.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | A155 Q156 | A155-A159 WeakPolarHBondContact O-CB 3.35Å; A155-A159 PolarHBondContact O-N 3.43Å; Q156-A159 PolarHBondContact O-N 3.36Å |
| 160 | D | 62.5 | Low | 59.6 | Low | 136 Ų | 136 | 118.3 Ų | 118.3 | 73% | 0.727 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -76.8 | -24.4 | 179.1 | -131.9 | -110.7 | 0 | 0 | 0 | 113 | Q156 R158 | Q156-D160 WeakPolarHBondContact O-CB 3.2Å; Q156-D160 PolarHBondContact O-N 3.45Å; R158-D160 VanDerWaalsContact C-N 3.32Å; R158-D160 PolarHBondContact O-N 3.24Å |
| 161 | Q | 60.8 | Low | 58.1 | Low | 155 Ų | 155 | 123.2 Ų | 123.2 | 72% | 0.724 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -77.3 | -19.4 | 177.6 | -84.4 | -177.8 | 60.5 | 0 | 0 | 114.4 | I157 R158 | I157-Q161 WeakPolarHBondContact O-CG 3.13Å; I157-Q161 PolarHBondContact O-N 3.01Å; R158-Q161 PolarHBondContact O-N 2.95Å |
| 162 | D | 57 | Low | 57.3 | Low | 145 Ų | 145 | 122.1 Ų | 122.1 | 78% | 0.775 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -97.4 | -5.3 | 178.3 | -76.1 | -62.8 | 0 | 0 | 0 | 113.7 | ||
| 163 | G | 51.3 | Low | 55.9 | Low | 54 Ų | 54 | 121.3 Ų | 121.3 | 56% | 0.557 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -114.6 | 90.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 164 | G | 47.5 | Very low | 54.6 | Low | 69 Ų | 69 | 123.1 Ų | 123.1 | 71% | 0.711 | 71% | 0.71 | S | S | * | * | trans | -56.2 | 151.8 | -166.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 165 | T | 46.3 | Very low | 53.2 | Low | 131 Ų | 131 | 123.4 Ų | 123.4 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | trans | 90.4 | 86.3 | 145.5 | -42.4 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 166 | T | 43.7 | Very low | 51.6 | Low | 118 Ų | 118 | 128.7 Ų | 128.7 | 72% | 0.724 | 74% | 0.736 | S | S | * | * | 159.4 | 119.1 | 112 | 44.2 | 0 | 0 | 0 | 0 | 111.2 | I168 | T166-I168 PolarHBondContact O-N 2.84Š| |||
| 167 | V | 46.8 | Very low | 50.4 | Low | 136 Ų | 136 | 125.4 Ų | 125.4 | 82% | 0.824 | 74% | 0.739 | S | S | * | * | trans | -76.3 | 107.2 | 172.7 | 177.8 | 0 | 0 | 0 | 0 | 108.6 | I169 | V167-I169 HydrophobicContact CG1-CG1 4.17Å; V167-I169 PolarHBondContact O-N 3.33Å | ||
| 168 | I | 47 | Very low | 49.3 | Very low | 138 Ų | 138 | 127 Ų | 127 | 71% | 0.708 | 76% | 0.755 | S | S | * | * | trans | -80.8 | 103.2 | 174.7 | -57.6 | -178.5 | 0 | 0 | 0 | 108.8 | T166 I170 | T166-I168 PolarHBondContact O-N 2.84Å; I168-I170 HydrophobicContact CG2-CD1 3.95Å; I168-I170 HydrophobicContact CG2-CG1 3.94Å | ||
| 169 | I | 54.8 | Low | 47.6 | Very low | 148 Ų | 148 | 126.8 Ų | 126.8 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | trans | -91.8 | 103.4 | 166.2 | -59.6 | 173.4 | 0 | 0 | 0 | 107.6 | V167 | V167-I169 HydrophobicContact CG1-CG1 4.17Å; V167-I169 PolarHBondContact O-N 3.33Å | ||
| 170 | I | 46.2 | Very low | 45.8 | Very low | 145 Ų | 145 | 129.8 Ų | 129.8 | 74% | 0.744 | 77% | 0.774 | S | S | * | * | trans | -142.3 | 113.3 | 163.6 | -50.4 | 173.6 | 0 | 0 | 0 | 109.3 | I168 | I168-I170 HydrophobicContact CG2-CD1 3.95Å; I168-I170 HydrophobicContact CG2-CG1 3.94Å | ||
| 171 | Q | 38.4 | Very low | 44.7 | Very low | 176 Ų | 176 | 128.4 Ų | 128.4 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 142.6 | 163.8 | -74.8 | -179.7 | -13.2 | 0 | 0 | 109.4 | A173 | Q171-A173 PolarHBondContact O-N 3.18Š|
| 172 | P | 49.6 | Very low | 43.4 | Very low | 129 Ų | 129 | 129.7 Ų | 129.7 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 124.1 | -178.8 | 30.5 | -32 | 0 | 0 | 0 | 111.3 | ||
| 173 | A | 41.2 | Very low | 42.2 | Very low | 99 Ų | 99 | 130.8 Ų | 130.8 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 144.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q171 | Q171-A173 PolarHBondContact O-N 3.18Š|
| 174 | S | 41.2 | Very low | 41.5 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 136.2 | -175.8 | -36.9 | 0 | 0 | 0 | 0 | 113.6 | ||
| 175 | D | 41.8 | Very low | 41.7 | Very low | 146 Ų | 146 | 137.1 Ų | 137.1 | 78% | 0.781 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 134.2 | 173.5 | -156.2 | -89.2 | 0 | 0 | 0 | 112.6 | ||
| 176 | L | 37.7 | Very low | 41.8 | Very low | 165 Ų | 165 | 140.3 Ų | 140.3 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | 179.9 | 114.4 | 133.1 | -90.9 | 170.8 | 0 | 0 | 0 | 107.8 | ||||
| 177 | G | 38.5 | Very low | 42 | Very low | 70 Ų | 70 | 140.7 Ų | 140.7 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | trans | -71.9 | -162.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 178 | P | 45.1 | Very low | 42.4 | Very low | 119 Ų | 119 | 141.7 Ų | 141.7 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | cis | -134.2 | 163.3 | 4.3 | 43.3 | -26.2 | 0 | 0 | 0 | 115.9 | ||||
| 179 | E | 35.2 | Very low | 42.7 | Very low | 188 Ų | 188 | 140.7 Ų | 140.7 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | trans | 65.7 | 111.4 | 153.4 | -42.2 | -129.7 | 101.3 | 0 | 0 | 120.6 | ||||
| 180 | T | 28.4 | Very low | 43.2 | Very low | 135 Ų | 135 | 141 Ų | 141 | 83% | 0.828 | 80% | 0.797 | S | S | * | * | trans | -56.5 | 171.1 | 161.3 | 29.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 181 | P | 40.8 | Very low | 43.8 | Very low | 106 Ų | 106 | 140.1 Ų | 140.1 | 69% | 0.688 | 80% | 0.801 | S | S | * | * | cis | -138.7 | 169.1 | 19.5 | 36.1 | -14.3 | 0 | 0 | 0 | 117.4 | ||||
| 182 | E | 33.4 | Very low | 45.3 | Very low | 182 Ų | 182 | 139.9 Ų | 139.9 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | trans | 104.1 | 130.7 | 152 | -53.5 | -160.1 | 102.7 | 0 | 0 | 120 | ||||
| 183 | E | 32.3 | Very low | 45.9 | Very low | 168 Ų | 168 | 139.7 Ų | 139.7 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | 92.9 | 88.8 | 152 | -118.1 | 177.3 | 97.4 | 0 | 0 | 120.8 | ||||
| 184 | Q | 35.8 | Very low | 46.9 | Very low | 159 Ų | 159 | 143.5 Ų | 143.5 | 74% | 0.743 | 80% | 0.804 | S | S | * | * | 72 | 91.8 | 118.1 | -156.2 | 164.1 | 41 | 0 | 0 | 119.8 | |||||
| 185 | S | 50.7 | Low | 48.4 | Very low | 98 Ų | 98 | 143.1 Ų | 143.1 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | trans | 39.4 | 110.5 | 130.5 | 66.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 186 | K | 49.1 | Very low | 49.6 | Very low | 197 Ų | 197 | 141.4 Ų | 141.4 | 86% | 0.857 | 80% | 0.795 | S | S | * | * | trans | -163.1 | 131.1 | 137.5 | -106.2 | 161.9 | -169.3 | 178.5 | 0 | 110.8 | ||||
| 187 | P | 47.8 | Very low | 50.4 | Low | 126 Ų | 126 | 139.9 Ų | 139.9 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 137.7 | 175.3 | 26.1 | -30.1 | 0 | 0 | 0 | 111.4 | ||
| 188 | I | 54.9 | Low | 51.1 | Low | 157 Ų | 157 | 145.1 Ų | 145.1 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 127 | 174.8 | -59.9 | 162.3 | 0 | 0 | 0 | 108.2 | L190 | I188-L190 PolarHBondContact O-N 2.64Š|
| 189 | P | 53.7 | Low | 51.1 | Low | 117 Ų | 117 | 145.4 Ų | 145.4 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 129.8 | 178.6 | -7.3 | 21.7 | 0 | 0 | 0 | 110.9 | ||
| 190 | L | 65.1 | Low | 51.3 | Low | 155 Ų | 155 | 145.8 Ų | 145.8 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 138.8 | 168.8 | -67.6 | 169.5 | 0 | 0 | 0 | 110 | I188 M192 | I188-L190 PolarHBondContact O-N 2.64Å; L190-M192 PolarHBondContact O-N 3.19Å |
| 191 | P | 60 | Low | 52.2 | Low | 126 Ų | 126 | 144.3 Ų | 144.3 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -69 | 122.4 | 173.1 | 26.4 | -29.8 | 0 | 0 | 0 | 110 | ||
| 192 | M | 69.8 | Low | 52.7 | Low | 172 Ų | 172 | 144.6 Ų | 144.6 | 85% | 0.847 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 153.8 | 178.5 | -68.3 | -167.9 | -79.9 | 0 | 0 | 112.1 | L190 | L190-M192 PolarHBondContact O-N 3.19Š|
| 193 | P | 62 | Low | 53.3 | Low | 125 Ų | 125 | 142.2 Ų | 142.2 | 81% | 0.812 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 137.6 | 172.7 | -14 | 28 | 0 | 0 | 0 | 111.1 | ||
| 194 | M | 61.5 | Low | 53.7 | Low | 179 Ų | 179 | 139.6 Ų | 139.6 | 88% | 0.882 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 137.2 | 177.1 | -67.9 | -173.8 | -69.3 | 0 | 0 | 111.3 | ||
| 195 | P | 72.9 | Confident | 53.8 | Low | 115 Ų | 115 | 136 Ų | 136 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 152.8 | 175 | 29.3 | -33.5 | 0 | 0 | 0 | 111.8 | ||
| 196 | P | 65.9 | Low | 53.2 | Low | 111 Ų | 111 | 139.5 Ų | 139.5 | 72% | 0.721 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 150.2 | 174.2 | 29.3 | -33.1 | 0 | 0 | 0 | 110.7 | E198 | P196-E198 PolarHBondContact O-N 2.8Š|
| 197 | P | 55.8 | Low | 52.6 | Low | 132 Ų | 132 | 136.4 Ų | 136.4 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 121 | -179.5 | 26.6 | -32.5 | 0 | 0 | 0 | 110.7 | ||
| 198 | E | 53.8 | Low | 52 | Low | 180 Ų | 180 | 135.3 Ų | 135.3 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 149.3 | 173.3 | -88.7 | -179 | 127 | 0 | 0 | 111.9 | P196 Q200 | P196-E198 PolarHBondContact O-N 2.8Å; E198-Q200 PolarHBondContact O-N 2.94Å |
| 199 | P | 44.7 | Very low | 51 | Low | 125 Ų | 125 | 131.3 Ų | 131.3 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 128.7 | -179.6 | -6.6 | 23.1 | 0 | 0 | 0 | 110.5 | S201 | P199-S201 PolarHBondContact O-N 3.27Å; P199-S201 VanDerWaalsContact O-N 3.14Å |
| 200 | Q | 39.4 | Very low | 50.2 | Low | 197 Ų | 197 | 135.3 Ų | 135.3 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | trans | -68.5 | 111.8 | 172 | -64.2 | -178.2 | 5.9 | 0 | 0 | 109.6 | E198 | E198-Q200 PolarHBondContact O-N 2.94Š| ||
| 201 | S | 46.3 | Very low | 49.1 | Very low | 104 Ų | 104 | 136.6 Ų | 136.6 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 144.4 | 165.8 | 51.8 | 0 | 0 | 0 | 0 | 110.6 | P199 | P199-S201 PolarHBondContact O-N 3.27Å; P199-S201 VanDerWaalsContact O-N 3.14Å |
| 202 | P | 52.8 | Low | 48 | Very low | 112 Ų | 112 | 137.9 Ų | 137.9 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 151.5 | -176.3 | 30.2 | -34.8 | 0 | 0 | 0 | 111.8 | S204 | P202-S204 PolarHBondContact O-N 3.48Š|
| 203 | P | 45.1 | Very low | 47.1 | Very low | 131 Ų | 131 | 134.7 Ų | 134.7 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 123.5 | 170.6 | 26.7 | -31 | 0 | 0 | 0 | 110.5 | ||
| 204 | S | 41.6 | Very low | 46.1 | Very low | 114 Ų | 114 | 140 Ų | 140 | 80% | 0.797 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 147.7 | 172.4 | -71 | 0 | 0 | 0 | 0 | 113 | P202 | P202-S204 PolarHBondContact O-N 3.48Š|
| 205 | A | 38.1 | Very low | 45 | Very low | 83 Ų | 83 | 138.5 Ų | 138.5 | 69% | 0.686 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 136.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 206 | N | 37.7 | Very low | 43.5 | Very low | 172 Ų | 172 | 137.4 Ų | 137.4 | 92% | 0.92 | 80% | 0.804 | S | S | * | * | trans | -105.8 | 116.2 | 149.5 | -72.2 | -28.5 | 0 | 0 | 0 | 107 | ||||
| 207 | T | 36.7 | Very low | 42.5 | Very low | 131 Ų | 131 | 139.5 Ų | 139.5 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | -118.9 | 148.5 | 171.2 | -64.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 208 | A | 35.4 | Very low | 42 | Very low | 104 Ų | 104 | 140.9 Ų | 140.9 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | 87.1 | 121.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 209 | G | 32.7 | Very low | 41.4 | Very low | 72 Ų | 72 | 139.4 Ų | 139.4 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | cis | 149.8 | 131 | 6.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 210 | E | 37 | Very low | 41.8 | Very low | 201 Ų | 201 | 138.4 Ų | 138.4 | 94% | 0.939 | 79% | 0.792 | S | S | * | * | trans | -150.2 | 115.8 | 155.5 | -158 | 130.3 | 90.4 | 0 | 0 | 108.8 | ||||
| 211 | E | 41.1 | Very low | 42.2 | Very low | 183 Ų | 183 | 142.4 Ų | 142.4 | 86% | 0.855 | 81% | 0.807 | S | S | * | * | trans | -74 | 143.5 | 175.9 | -63.6 | 176 | 81 | 0 | 0 | 111 | ||||
| 212 | N | 37.5 | Very low | 41.9 | Very low | 152 Ų | 152 | 144.4 Ų | 144.4 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | -177.5 | 168.4 | 117.9 | -124.1 | -28.4 | 0 | 0 | 0 | 112.1 | |||||
| 213 | P | 50.7 | Low | 41.4 | Very low | 106 Ų | 106 | 146.1 Ų | 146.1 | 69% | 0.688 | 82% | 0.815 | S | S | * | * | -120.9 | 171.3 | -116 | 39.1 | -20.3 | 0 | 0 | 0 | 113.9 | |||||
| 214 | R | 40.7 | Very low | 41.2 | Very low | 237 Ų | 237 | 146.9 Ų | 146.9 | 89% | 0.894 | 81% | 0.813 | S | S | * | * | trans | -37.5 | 136.5 | 162 | -75.5 | 173 | 171 | 162.3 | -2.9 | 112.6 | ||||
| 215 | D | 38.7 | Very low | 41.2 | Very low | 146 Ų | 146 | 148.8 Ų | 148.8 | 78% | 0.781 | 81% | 0.814 | S | S | * | * | -164.3 | 142.7 | 107.1 | -127.3 | -53.5 | 0 | 0 | 0 | 114.2 | |||||
| 216 | S | 41 | Very low | 41.3 | Very low | 92 Ų | 92 | 152.9 Ų | 152.9 | 64% | 0.643 | 82% | 0.822 | S | S | * | * | trans | 91.6 | 125.9 | 138.2 | -76.5 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 217 | L | 45.4 | Very low | 41.6 | Very low | 156 Ų | 156 | 151.7 Ų | 151.7 | 82% | 0.817 | 82% | 0.815 | S | S | * | * | trans | 87.3 | 109.1 | 159.3 | -84.9 | 85.6 | 0 | 0 | 0 | 118.2 | ||||
| 218 | Q | 44.8 | Very low | 41.9 | Very low | 161 Ų | 161 | 153.1 Ų | 153.1 | 75% | 0.752 | 82% | 0.816 | S | S | * | * | 45.7 | 131.9 | 67.7 | -80.9 | 176.4 | -80.3 | 0 | 0 | 111.7 | |||||
| 219 | E | 41.5 | Very low | 42.4 | Very low | 149 Ų | 149 | 156.9 Ų | 156.9 | 70% | 0.696 | 81% | 0.813 | S | S | * | * | cis | -173.1 | 165.1 | 24.2 | -129.3 | 176.8 | 93 | 0 | 0 | 108.1 | ||||
| 220 | S | 54.3 | Low | 43.2 | Very low | 103 Ų | 103 | 164 Ų | 164 | 72% | 0.72 | 82% | 0.819 | S | S | * | * | trans | 22.7 | 115.2 | 142.1 | -57.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 221 | K | 46.1 | Very low | 43.8 | Very low | 282 Ų | 282 | 160.6 Ų | 160.6 | 100% | 1.226 | 81% | 0.808 | S | S | * | * | 157.8 | 0 | 111.4 | -167.8 | 166.3 | -175 | 179.9 | 0 | 112.1 |
Retrieved 221 of 221 residues in 487 ms
(Link to these results)