| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 48.2 | Very low | 74.8 | Confident | 234 Ų | 234 | 134.2 Ų | 134.2 | 100% | 1.153 | 72% | 0.719 | S | S | * | * | 0 | 67.8 | 0 | -86.4 | 177.5 | 173.5 | 0 | 0 | 111.2 | F3 | M1-F3 PolarHBondContact O-N 3.43Š| |||
| 2 | G | 52.4 | Low | 76.2 | Confident | 83 Ų | 83 | 128.7 Ų | 128.7 | 86% | 0.856 | 68% | 0.681 | S | S | * | * | trans | -81.5 | 28.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 3 | F | 59.5 | Low | 77.6 | Confident | 181 Ų | 181 | 128.4 Ų | 128.4 | 79% | 0.794 | 67% | 0.671 | S | S | * | * | trans | -112.5 | 124.2 | -160.3 | -74.9 | -88.9 | 0 | 0 | 0 | 111.1 | M1 | M1-F3 PolarHBondContact O-N 3.43Š| ||
| 4 | V | 69.8 | Low | 78.7 | Confident | 134 Ų | 134 | 131.2 Ų | 131.2 | 81% | 0.812 | 68% | 0.675 | S | S | * | * | trans | 62.2 | 101.8 | 178.9 | -165 | 0 | 0 | 0 | 0 | 115.1 | V6 | V4-V6 PolarHBondContact O-N 3.12Š| ||
| 5 | K | 73.5 | Confident | 79.6 | Confident | 195 Ų | 195 | 135.4 Ų | 135.4 | 85% | 0.848 | 68% | 0.679 | S | S | * | * | trans | -59.3 | 111.4 | 171.2 | -176 | 179.3 | -176.6 | 177.6 | 0 | 109.3 | V7 | K5-V7 PolarHBondContact O-N 3.36Š| ||
| 6 | V | 73.1 | Confident | 80.4 | Confident | 105 Ų | 105 | 133.9 Ų | 133.9 | 64% | 0.636 | 66% | 0.664 | S | S | * | * | trans | -53.5 | 114.3 | 170.6 | 178.1 | 0 | 0 | 0 | 0 | 108.8 | V4 K8 Y12 | V4-V6 PolarHBondContact O-N 3.12Å; V6-K8 PolarHBondContact O-N 3.36Å; V6-Y12 HydrophobicContact CG1-CD2 4.06Å; V6-Y12 HydrophobicContact CG1-CE2 4.42Å | ||
| 7 | V | 81.6 | Confident | 81.3 | Confident | 109 Ų | 109 | 136.7 Ų | 136.7 | 66% | 0.661 | 68% | 0.675 | S | S | * | * | trans | -71.2 | 114.3 | 177.4 | -176.4 | 0 | 0 | 0 | 0 | 107.9 | K5 N9 | K5-V7 PolarHBondContact O-N 3.36Å; V7-N9 HydrophobicContact CG1-CB 4.3Å; V7-N9 PolarHBondContact O-N 3.01Å | ||
| 8 | K | 88.3 | Confident | 82 | Confident | 146 Ų | 146 | 133.7 Ų | 133.7 | 64% | 0.635 | 67% | 0.665 | S | S | * | * | trans | -71.1 | 69.1 | 176.2 | -65.4 | -179.2 | -179.2 | 175.5 | 0 | 110.5 | V6 Y12 F13 | V6-K8 PolarHBondContact O-N 3.36Å; K8-Y12 HydrophobicContact CB-CD1 4.18Å; K8-Y12 HydrophobicContact CG-CD1 4.19Å; K8-Y12 HydrophobicContact CG-CE1 4.18Å; K8-F13 HydrophobicContact CB-CE2 4.11Å; K8-F13 HydrophobicContact CB-CZ 3.99Å; K8-F13 VanDerWaalsContact O-CE2 3.28Å; K8-F13 WeakPolarHBondContact O-CE2 3.32Å | ||
| 9 | N | 90.6 | Very high | 82.8 | Confident | 78 Ų | 78 | 133.4 Ų | 133.4 | 42% | 0.417 | 66% | 0.659 | S | S | . | * | trans | -87.5 | 179.2 | -179.4 | 64.9 | 13.5 | 0 | 0 | 0 | 112 | V7 A11 Y12 F13 | V7-N9 HydrophobicContact CG1-CB 4.3Å; V7-N9 PolarHBondContact O-N 3.01Å; N9-A11 PolarHBondContact O-N 3.22Å; N9-A11 WeakPolarHBondContact OD1-CB 3.03Å; N9-A11 PolarHBondContact OD1-N 3.13Å; N9-Y12 WeakPolarHBondContact O-CB 3.35Å; N9-Y12 PolarHBondContact O-N 3.44Å; N9-Y12 PolarHBondContact OD1-N 2.89Å; N9-F13 VanDerWaalsContact O-CD2 3.29Å; N9-F13 WeakPolarHBondContact O-CD2 3.24Å; N9-F13 PolarHBondContact O-N 2.76Å | ||
| 10 | K | 93.6 | Very high | 83.4 | Confident | 165 Ų | 165 | 134.3 Ų | 134.3 | 72% | 0.717 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -54 | -38 | 176.2 | -171.1 | 178.2 | -176.9 | 179.1 | 0 | 112.1 | F13 K14 | K10-F13 PolarHBondContact O-N 3.17Å; K10-K14 WeakPolarHBondContact O-CG 3.33Å; K10-K14 PolarHBondContact O-N 3.28Å; K10-K14 VanDerWaalsContact O-N 3.11Å |
| 11 | A | 92 | Very high | 84.1 | Confident | 46 Ų | 46 | 135.9 Ų | 135.9 | 38% | 0.38 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -69.2 | -31.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | N9 R15 | N9-A11 PolarHBondContact O-N 3.22Å; N9-A11 WeakPolarHBondContact OD1-CB 3.03Å; N9-A11 PolarHBondContact OD1-N 3.13Å; A11-R15 PolarHBondContact O-N 3.04Å; A11-R15 PolarHBondContact O-NE 2.87Å; A11-R15 VanDerWaalsContact O-NE 3.15Å |
| 12 | Y | 92.1 | Very high | 86.4 | Confident | 68 Ų | 68 | 129.1 Ų | 129.1 | 27% | 0.267 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -63.8 | -52.5 | 171.4 | 173.8 | -88.1 | 0 | 0 | 0 | 110.9 | V6 K8 N9 K14 R15 Y16 | V6-Y12 HydrophobicContact CG1-CD2 4.06Å; V6-Y12 HydrophobicContact CG1-CE2 4.42Å; K8-Y12 HydrophobicContact CB-CD1 4.18Å; K8-Y12 HydrophobicContact CG-CD1 4.19Å; K8-Y12 HydrophobicContact CG-CE1 4.18Å; N9-Y12 WeakPolarHBondContact O-CB 3.35Å; N9-Y12 PolarHBondContact O-N 3.44Å; N9-Y12 PolarHBondContact OD1-N 2.89Å; Y12-K14 VanDerWaalsContact C-N 3.29Å; Y12-K14 PolarHBondContact O-N 3.32Å; Y12-R15 PolarHBondContact O-N 3.29Å; Y12-Y16 HydrophobicContact CE1-CD2 4.12Å; Y12-Y16 HydrophobicContact CE1-CG 4.25Å; Y12-Y16 AromaticContact CZ-CD2 3.91Å; Y12-Y16 PolarHBondContact O-N 2.81Å; Y12-Y16 WeakPolarHBondContact OH-CD2 3.48Å |
| 13 | F | 93.6 | Very high | 88.5 | Confident | 125 Ų | 125 | 130.5 Ų | 130.5 | 55% | 0.548 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -67.1 | -28.3 | -176.8 | -67.9 | -66.1 | 0 | 0 | 0 | 113.6 | K8 N9 K10 R15 | K8-F13 HydrophobicContact CB-CE2 4.11Å; K8-F13 HydrophobicContact CB-CZ 3.99Å; K8-F13 VanDerWaalsContact O-CE2 3.28Å; K8-F13 WeakPolarHBondContact O-CE2 3.32Å; N9-F13 VanDerWaalsContact O-CD2 3.29Å; N9-F13 WeakPolarHBondContact O-CD2 3.24Å; N9-F13 PolarHBondContact O-N 2.76Å; K10-F13 PolarHBondContact O-N 3.17Å; F13-R15 VanDerWaalsContact C-N 3.31Å; F13-R15 PolarHBondContact O-N 3.44Å |
| 14 | K | 94 | Very high | 90.2 | Very high | 168 Ų | 168 | 129.1 Ų | 129.1 | 73% | 0.73 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -65.3 | -31.5 | 171.5 | -78.2 | -173.4 | 173.2 | -166.6 | 0 | 113.4 | K10 Y12 | K10-K14 WeakPolarHBondContact O-CG 3.33Å; K10-K14 PolarHBondContact O-N 3.28Å; K10-K14 VanDerWaalsContact O-N 3.11Å; Y12-K14 VanDerWaalsContact C-N 3.29Å; Y12-K14 PolarHBondContact O-N 3.32Å |
| 15 | R | 92 | Very high | 91.5 | Very high | 194 Ų | 194 | 127 Ų | 127 | 73% | 0.732 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -92.6 | -17.5 | 179.7 | -68.2 | -178.6 | -73.3 | 179.6 | -1 | 113.2 | A11 Y12 F13 Q17 | A11-R15 PolarHBondContact O-N 3.04Å; A11-R15 PolarHBondContact O-NE 2.87Å; A11-R15 VanDerWaalsContact O-NE 3.15Å; Y12-R15 PolarHBondContact O-N 3.29Å; F13-R15 VanDerWaalsContact C-N 3.31Å; F13-R15 PolarHBondContact O-N 3.44Å; R15-Q17 PolarHBondContact O-N 3.17Å; R15-Q17 VanDerWaalsContact O-N 3.09Å |
| 16 | Y | 92.9 | Very high | 92.5 | Very high | 111 Ų | 111 | 119.9 Ų | 119.9 | 44% | 0.435 | 55% | 0.552 | S | S | . | * | trans | -72.6 | 103.5 | -175.8 | -176 | -101.8 | 0 | 0 | 0 | 111.5 | Y12 V18 | Y12-Y16 HydrophobicContact CE1-CD2 4.12Å; Y12-Y16 HydrophobicContact CE1-CG 4.25Å; Y12-Y16 AromaticContact CZ-CD2 3.91Å; Y12-Y16 PolarHBondContact O-N 2.81Å; Y12-Y16 WeakPolarHBondContact OH-CD2 3.48Å; Y16-V18 HydrophobicContact CD1-CG2 3.86Å; Y16-V18 HydrophobicContact CE1-CB 4.47Å; Y16-V18 HydrophobicContact CE1-CG2 3.9Å; Y16-V18 PolarHBondContact O-N 3.19Å | ||
| 17 | Q | 94.9 | Very high | 93.6 | Very high | 182 Ų | 182 | 120.3 Ų | 120.3 | 85% | 0.85 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -78.7 | 117.6 | 171.7 | -67.4 | -175.2 | -1.3 | 0 | 0 | 110.5 | R15 K19 | R15-Q17 PolarHBondContact O-N 3.17Å; R15-Q17 VanDerWaalsContact O-N 3.09Å; Q17-K19 PolarHBondContact O-N 2.78Å |
| 18 | V | 94.5 | Very high | 94.3 | Very high | 82 Ų | 82 | 115.5 Ų | 115.5 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -77.3 | 121.1 | -175.7 | -176.3 | 0 | 0 | 0 | 0 | 109.6 | Y16 R24 | Y16-V18 HydrophobicContact CD1-CG2 3.86Å; Y16-V18 HydrophobicContact CE1-CB 4.47Å; Y16-V18 HydrophobicContact CE1-CG2 3.9Å; Y16-V18 PolarHBondContact O-N 3.19Å; V18-R24 VanDerWaalsContact CG1-CD 3.42Å; V18-R24 VanDerWaalsContact CG1-CZ 3.48Å; V18-R24 VanDerWaalsContact CG1-NH1 3.32Å |
| 19 | K | 95.7 | Very high | 94.6 | Very high | 128 Ų | 128 | 111 Ų | 111 | 56% | 0.557 | 50% | 0.499 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 154.9 | 172.2 | -62.3 | -176.6 | -179.4 | 176.9 | 0 | 111.3 | Q17 R23 R24 | Q17-K19 PolarHBondContact O-N 2.78Å; K19-R23 HydrophobicContact CB-CB 4.3Å; K19-R23 HydrophobicContact CB-CG 4.21Å; K19-R23 HydrophobicContact CD-CG 4Å; K19-R24 HydrophobicContact CB-CG 4.2Å; K19-R24 WeakPolarHBondContact O-CD 3.41Å; K19-R24 WeakPolarHBondContact O-CG 3.45Å; K19-R24 PolarHBondContact O-NE 3.12Å; K19-R24 VanDerWaalsContact O-NE 3.14Å |
| 20 | F | 96.3 | Very high | 94.8 | Very high | 152 Ų | 152 | 111 Ų | 111 | 67% | 0.667 | 49% | 0.494 | S | S | * | . | P | Polyproline II helix | trans | -50.7 | 147.4 | 175.4 | -62.4 | -56.6 | 0 | 0 | 0 | 112.8 | R22 R23 R24 Y30 | F20-R22 PolarHBondContact O-N 3.42Å; F20-R23 WeakPolarHBondContact O-CA 3.34Å; F20-R23 WeakPolarHBondContact O-CB 3.43Å; F20-R23 PolarHBondContact O-N 3.16Å; F20-R24 PolarHBondContact O-N 3.45Å; F20-R24 VanDerWaalsContact O-N 3.08Å; F20-Y30 HydrophobicContact CB-CD2 4.19Å; F20-Y30 HydrophobicContact CB-CE2 3.51Å; F20-Y30 HydrophobicContact CD2-CD2 4.06Å; F20-Y30 HydrophobicContact CD2-CE2 4.17Å; F20-Y30 HydrophobicContact CD2-CG 4.25Å; F20-Y30 HydrophobicContact CG-CE2 4.23Å |
| 21 | R | 97.2 | Very high | 94.9 | Very high | 168 Ų | 168 | 110.1 Ų | 110.1 | 63% | 0.634 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -45.9 | -53.9 | -172.6 | -175.4 | -178.7 | 68.6 | -177.7 | -1.8 | 113.6 | R23 R24 E25 | R21-R23 VanDerWaalsContact C-N 3.28Å; R21-R23 PolarHBondContact O-N 3.03Å; R21-R24 WeakPolarHBondContact O-CB 3.44Å; R21-R24 PolarHBondContact O-N 3.11Å; R21-R24 VanDerWaalsContact O-N 3.13Å; R21-E25 WeakPolarHBondContact CG-OE1 3.23Å; R21-E25 PolarHBondContact O-N 3.08Å; R21-E25 VanDerWaalsContact O-N 3.07Å |
| 22 | R | 96.6 | Very high | 95 | Very high | 91 Ų | 91 | 109.7 Ų | 109.7 | 34% | 0.343 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -71.3 | -21.1 | -176.3 | -62.7 | -179.1 | 67.2 | 112.4 | 2.1 | 113.7 | F20 G26 K27 T28 Y30 | F20-R22 PolarHBondContact O-N 3.42Å; R22-G26 PolarHBondContact O-N 2.93Å; R22-K27 PolarHBondContact O-N 3.43Å; R22-T28 PolarHBondContact NE-OG1 2.93Å; R22-T28 PolarHBondContact O-N 3.12Å; R22-Y30 HydrophobicContact CB-CE2 4.22Å |
| 23 | R | 96 | Very high | 95.2 | Very high | 112 Ų | 112 | 109 Ų | 109 | 42% | 0.423 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -75.3 | -35.7 | 172.1 | -174 | 59.3 | 174.2 | 167.5 | 2.1 | 110.8 | K19 F20 R21 E25 G26 Y30 | K19-R23 HydrophobicContact CB-CB 4.3Å; K19-R23 HydrophobicContact CB-CG 4.21Å; K19-R23 HydrophobicContact CD-CG 4Å; F20-R23 WeakPolarHBondContact O-CA 3.34Å; F20-R23 WeakPolarHBondContact O-CB 3.43Å; F20-R23 PolarHBondContact O-N 3.16Å; R21-R23 VanDerWaalsContact C-N 3.28Å; R21-R23 PolarHBondContact O-N 3.03Å; R23-E25 VanDerWaalsContact C-N 3.32Å; R23-G26 PolarHBondContact O-N 3.48Å; R23-G26 VanDerWaalsContact O-N 3.17Å; R23-Y30 HydrophobicContact CB-CD2 4.18Å; R23-Y30 HydrophobicContact CB-CE2 4.1Å |
| 24 | R | 96.5 | Very high | 95.3 | Very high | 153 Ų | 153 | 109.7 Ų | 109.7 | 58% | 0.577 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65 | -36.3 | 171.1 | -63.4 | -172.9 | -78.3 | 166.7 | 0.6 | 112.5 | V18 K19 F20 R21 G26 | V18-R24 VanDerWaalsContact CG1-CD 3.42Å; V18-R24 VanDerWaalsContact CG1-CZ 3.48Å; V18-R24 VanDerWaalsContact CG1-NH1 3.32Å; K19-R24 HydrophobicContact CB-CG 4.2Å; K19-R24 WeakPolarHBondContact O-CD 3.41Å; K19-R24 WeakPolarHBondContact O-CG 3.45Å; K19-R24 PolarHBondContact O-NE 3.12Å; K19-R24 VanDerWaalsContact O-NE 3.14Å; F20-R24 PolarHBondContact O-N 3.45Å; F20-R24 VanDerWaalsContact O-N 3.08Å; R21-R24 WeakPolarHBondContact O-CB 3.44Å; R21-R24 PolarHBondContact O-N 3.11Å; R21-R24 VanDerWaalsContact O-N 3.13Å; R24-G26 PolarHBondContact O-N 2.92Å |
| 25 | E | 96.7 | Very high | 95.4 | Very high | 89 Ų | 89 | 109.3 Ų | 109.3 | 42% | 0.416 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -5.8 | 173.9 | -65.5 | 174.3 | -153.7 | 0 | 0 | 113.5 | R21 R23 K27 | R21-E25 WeakPolarHBondContact CG-OE1 3.23Å; R21-E25 PolarHBondContact O-N 3.08Å; R21-E25 VanDerWaalsContact O-N 3.07Å; R23-E25 VanDerWaalsContact C-N 3.32Å; E25-K27 VanDerWaalsContact C-N 3.29Å; E25-K27 HydrophobicContact CB-CD 4.12Å; E25-K27 HydrophobicContact CB-CG 4.07Å; E25-K27 PolarHBondContact O-N 3.17Å; E25-K27 WeakPolarHBondContact OE2-CD 3.17Å; E25-K27 WeakPolarHBondContact OE2-CE 3.45Å; E25-K27 IonicContact OE2-NZ 3.25Å; E25-K27 PolarHBondContact OE2-NZ 3.19Å |
| 26 | G | 95.1 | Very high | 95.6 | Very high | 46 Ų | 46 | 101.8 Ų | 101.8 | 47% | 0.474 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.4 | 26.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | R22 R23 R24 L150 | R22-G26 PolarHBondContact O-N 2.93Å; R23-G26 PolarHBondContact O-N 3.48Å; R23-G26 VanDerWaalsContact O-N 3.17Å; R24-G26 PolarHBondContact O-N 2.92Å; G26-L150 WeakPolarHBondContact O-CD1 3.28Å |
| 27 | K | 95.7 | Very high | 95.7 | Very high | 113 Ų | 113 | 99 Ų | 99 | 49% | 0.491 | 45% | 0.445 | S | S | . | . | trans | -104.8 | -13.4 | -174.9 | -67.7 | -179.5 | -172.8 | 159.6 | 0 | 114.6 | R22 E25 | R22-K27 PolarHBondContact O-N 3.43Å; E25-K27 VanDerWaalsContact C-N 3.29Å; E25-K27 HydrophobicContact CB-CD 4.12Å; E25-K27 HydrophobicContact CB-CG 4.07Å; E25-K27 PolarHBondContact O-N 3.17Å; E25-K27 WeakPolarHBondContact OE2-CD 3.17Å; E25-K27 WeakPolarHBondContact OE2-CE 3.45Å; E25-K27 IonicContact OE2-NZ 3.25Å; E25-K27 PolarHBondContact OE2-NZ 3.19Å | ||
| 28 | T | 96.1 | Very high | 95.8 | Very high | 9 Ų | 9 | 94.8 Ų | 94.8 | 6% | 0.055 | 43% | 0.428 | C | S | . | . | trans | -147.3 | 129.4 | -172.6 | -57.7 | 0 | 0 | 0 | 0 | 110.8 | R22 Y30 R33 | R22-T28 PolarHBondContact NE-OG1 2.93Å; R22-T28 PolarHBondContact O-N 3.12Å; T28-Y30 HydrophobicContact CG2-CD2 4.38Å; T28-Y30 HydrophobicContact CG2-CE2 4.41Å; T28-Y30 HydrophobicContact CG2-CG 4.47Å; T28-R33 HydrophobicContact CG2-CB 4.32Å | ||
| 29 | D | 94.4 | Very high | 95.8 | Very high | 51 Ų | 51 | 93.1 Ų | 93.1 | 27% | 0.273 | 42% | 0.415 | S | S | . | . | trans | -87.5 | 113.2 | 157.6 | 177.1 | 24.2 | 0 | 0 | 0 | 109.2 | Y31 A32 R33 L150 | D29-Y31 PolarHBondContact O-N 3.42Å; D29-Y31 WeakPolarHBondContact OD1-CB 3.45Å; D29-Y31 PolarHBondContact OD1-N 3.34Å; D29-A32 HydrophobicContact CB-CB 4.36Å; D29-A32 WeakPolarHBondContact OD2-CB 3.4Å; D29-A32 PolarHBondContact OD2-N 3.46Å; D29-A32 VanDerWaalsContact OD2-N 3.15Å; D29-R33 WeakPolarHBondContact O-CB 3.14Å; D29-R33 PolarHBondContact O-N 3.37Å; D29-R33 VanDerWaalsContact O-N 3.11Å; D29-L150 HydrophobicContact CB-CD2 3.63Å | ||
| 30 | Y | 95.5 | Very high | 95.8 | Very high | 78 Ų | 78 | 91.1 Ų | 91.1 | 31% | 0.306 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -72.7 | -19.6 | 178.8 | -77.7 | -84.8 | 0 | 0 | 0 | 112.2 | F20 R22 R23 T28 K34 | F20-Y30 HydrophobicContact CB-CD2 4.19Å; F20-Y30 HydrophobicContact CB-CE2 3.51Å; F20-Y30 HydrophobicContact CD2-CD2 4.06Å; F20-Y30 HydrophobicContact CD2-CE2 4.17Å; F20-Y30 HydrophobicContact CD2-CG 4.25Å; F20-Y30 HydrophobicContact CG-CE2 4.23Å; R22-Y30 HydrophobicContact CB-CE2 4.22Å; R23-Y30 HydrophobicContact CB-CD2 4.18Å; R23-Y30 HydrophobicContact CB-CE2 4.1Å; T28-Y30 HydrophobicContact CG2-CD2 4.38Å; T28-Y30 HydrophobicContact CG2-CE2 4.41Å; T28-Y30 HydrophobicContact CG2-CG 4.47Å; Y30-K34 VanDerWaalsContact O-CB 3.27Å; Y30-K34 WeakPolarHBondContact O-CB 3.31Å; Y30-K34 PolarHBondContact O-N 3.36Å |
| 31 | Y | 95.3 | Very high | 95.8 | Very high | 147 Ų | 147 | 93.3 Ų | 93.3 | 58% | 0.576 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -68.3 | -54.3 | 175.8 | -172.9 | -103.4 | 0 | 0 | 0 | 111 | D29 R33 K34 R35 | D29-Y31 PolarHBondContact O-N 3.42Å; D29-Y31 WeakPolarHBondContact OD1-CB 3.45Å; D29-Y31 PolarHBondContact OD1-N 3.34Å; Y31-R33 PolarHBondContact O-N 3.22Å; Y31-K34 PolarHBondContact O-N 3.11Å; Y31-R35 VanDerWaalsContact CE1-CZ 3.45Å; Y31-R35 VanDerWaalsContact CZ-NH2 3.33Å; Y31-R35 PolarHBondContact OH-NH2 3.08Å |
| 32 | A | 95.1 | Very high | 95.7 | Very high | 36 Ų | 36 | 90.9 Ų | 90.9 | 30% | 0.298 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -58.6 | -45.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | D29 K34 R35 L36 | D29-A32 HydrophobicContact CB-CB 4.36Å; D29-A32 WeakPolarHBondContact OD2-CB 3.4Å; D29-A32 PolarHBondContact OD2-N 3.46Å; D29-A32 VanDerWaalsContact OD2-N 3.15Å; A32-K34 VanDerWaalsContact C-N 3.34Å; A32-K34 PolarHBondContact O-N 3.37Å; A32-R35 PolarHBondContact O-N 3.26Å; A32-L36 PolarHBondContact O-N 3.23Å |
| 33 | R | 95.5 | Very high | 95.7 | Very high | 54 Ų | 54 | 90.4 Ų | 90.4 | 20% | 0.204 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -61.9 | -38.4 | -179.2 | -173.7 | 173.9 | 171 | 103.9 | -1.5 | 113 | T28 D29 Y31 R35 L36 V37 D72 | T28-R33 HydrophobicContact CG2-CB 4.32Å; D29-R33 WeakPolarHBondContact O-CB 3.14Å; D29-R33 PolarHBondContact O-N 3.37Å; D29-R33 VanDerWaalsContact O-N 3.11Å; Y31-R33 PolarHBondContact O-N 3.22Å; R33-R35 VanDerWaalsContact C-N 3.31Å; R33-R35 PolarHBondContact O-N 2.89Å; R33-L36 PolarHBondContact O-N 2.76Å; R33-V37 HydrophobicContact CG-CG2 4.07Å; R33-V37 WeakPolarHBondContact O-CB 3.33Å; R33-V37 WeakPolarHBondContact O-CG2 3.39Å; R33-V37 PolarHBondContact O-N 2.97Å; R33-D72 IonicContact CZ-OD1 3.64Å; R33-D72 IonicContact CZ-OD2 2.72Å; R33-D72 VanDerWaalsContact CZ-OD2 3.25Å; R33-D72 IonicContact NH1-OD2 3.68Å; R33-D72 PolarHBondContact NH1-OD2 3.13Å; R33-D72 IonicContact NH2-OD1 2.77Å; R33-D72 PolarHBondContact NH2-OD1 3.15Å; R33-D72 IonicContact NH2-OD2 3.22Å; R33-D72 PolarHBondContact NH2-OD2 2.99Å |
| 34 | K | 95.9 | Very high | 95.6 | Very high | 139 Ų | 139 | 95.1 Ų | 95.1 | 60% | 0.604 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -56.4 | -46.3 | 176.4 | 178.6 | 179.1 | 177.1 | -176 | 0 | 110.8 | Y30 Y31 A32 L36 V37 I38 | Y30-K34 VanDerWaalsContact O-CB 3.27Å; Y30-K34 WeakPolarHBondContact O-CB 3.31Å; Y30-K34 PolarHBondContact O-N 3.36Å; Y31-K34 PolarHBondContact O-N 3.11Å; A32-K34 VanDerWaalsContact C-N 3.34Å; A32-K34 PolarHBondContact O-N 3.37Å; K34-L36 VanDerWaalsContact C-N 3.33Å; K34-L36 PolarHBondContact O-N 2.97Å; K34-V37 PolarHBondContact O-N 3.31Å; K34-I38 HydrophobicContact CD-CD1 4.17Å; K34-I38 HydrophobicContact CG-CD1 3.47Å; K34-I38 VanDerWaalsContact CG-CD1 3.47Å; K34-I38 HydrophobicContact CG-CG1 4.2Å; K34-I38 WeakPolarHBondContact O-CB 3.37Å; K34-I38 VanDerWaalsContact O-CG1 3.22Å; K34-I38 WeakPolarHBondContact O-CG1 3.3Å; K34-I38 PolarHBondContact O-N 3.1Å |
| 35 | R | 96.1 | Very high | 95.4 | Very high | 161 Ų | 161 | 95.3 Ų | 95.3 | 61% | 0.608 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -65.9 | -34.1 | -179.7 | -64.6 | 175.5 | 173 | -164.6 | -9.9 | 113.1 | Y31 A32 R33 | Y31-R35 VanDerWaalsContact CE1-CZ 3.45Å; Y31-R35 VanDerWaalsContact CZ-NH2 3.33Å; Y31-R35 PolarHBondContact OH-NH2 3.08Å; A32-R35 PolarHBondContact O-N 3.26Å; R33-R35 VanDerWaalsContact C-N 3.31Å; R33-R35 PolarHBondContact O-N 2.89Å |
| 36 | L | 95.9 | Very high | 95.4 | Very high | 36 Ų | 36 | 95.2 Ų | 95.2 | 19% | 0.188 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -76.6 | -30.7 | 178 | -68.5 | 169.7 | 0 | 0 | 0 | 113.2 | A32 R33 K34 K48 R50 D147 | A32-L36 PolarHBondContact O-N 3.23Å; R33-L36 PolarHBondContact O-N 2.76Å; K34-L36 VanDerWaalsContact C-N 3.33Å; K34-L36 PolarHBondContact O-N 2.97Å; L36-K48 WeakPolarHBondContact O-CD 3.36Å; L36-K48 VanDerWaalsContact O-CE 3.31Å; L36-K48 WeakPolarHBondContact O-CE 3.45Å; L36-R50 HydrophobicContact CB-CG 4.35Å; L36-D147 HydrophobicContact CD1-CB 3.84Å |
| 37 | V | 95.8 | Very high | 95.4 | Very high | 51 Ų | 51 | 95.1 Ų | 95.1 | 31% | 0.309 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -89.5 | -35 | -176.1 | 171.1 | 0 | 0 | 0 | 0 | 112.7 | R33 K34 Q39 A67 | R33-V37 HydrophobicContact CG-CG2 4.07Å; R33-V37 WeakPolarHBondContact O-CB 3.33Å; R33-V37 WeakPolarHBondContact O-CG2 3.39Å; R33-V37 PolarHBondContact O-N 2.97Å; K34-V37 PolarHBondContact O-N 3.31Å; V37-Q39 PolarHBondContact O-N 2.82Å; V37-A67 HydrophobicContact CG1-CB 3.61Å; V37-A67 HydrophobicContact CG2-CB 4.14Å |
| 38 | I | 95.6 | Very high | 95.5 | Very high | 94 Ų | 94 | 91.8 Ų | 91.8 | 48% | 0.482 | 43% | 0.433 | S | S | . | . | trans | -59 | 127 | 178.5 | -72.2 | 171.1 | 0 | 0 | 0 | 109.3 | K34 K48 | K34-I38 HydrophobicContact CD-CD1 4.17Å; K34-I38 HydrophobicContact CG-CD1 3.47Å; K34-I38 VanDerWaalsContact CG-CD1 3.47Å; K34-I38 HydrophobicContact CG-CG1 4.2Å; K34-I38 WeakPolarHBondContact O-CB 3.37Å; K34-I38 VanDerWaalsContact O-CG1 3.22Å; K34-I38 WeakPolarHBondContact O-CG1 3.3Å; K34-I38 PolarHBondContact O-N 3.1Å; I38-K48 WeakPolarHBondContact O-CD 3.44Å; I38-K48 PolarHBondContact O-NZ 3.19Å | ||
| 39 | Q | 94.9 | Very high | 95.5 | Very high | 47 Ų | 47 | 93.8 Ų | 93.8 | 22% | 0.22 | 44% | 0.44 | C | S | . | . | trans | -120 | 149.3 | 173.8 | -177.7 | 70.9 | -60.3 | 0 | 0 | 108.1 | V37 K41 K43 K48 | V37-Q39 PolarHBondContact O-N 2.82Å; Q39-K41 PolarHBondContact O-N 2.77Å; Q39-K43 VanDerWaalsContact CD-CD 3.43Å; Q39-K43 HydrophobicContact CG-CB 4.03Å; Q39-K43 HydrophobicContact CG-CD 3.99Å; Q39-K48 HydrophobicContact CB-CB 4.3Å; Q39-K48 HydrophobicContact CB-CD 4.25Å | ||
| 40 | D | 96 | Very high | 95.7 | Very high | 87 Ų | 87 | 91.4 Ų | 91.4 | 47% | 0.465 | 43% | 0.427 | S | S | . | . | trans | -61.7 | 133.4 | 176 | -50.6 | -43.5 | 0 | 0 | 0 | 109.9 | N42 K43 | D40-N42 WeakPolarHBondContact CB-OD1 3.25Å; D40-N42 PolarHBondContact O-N 3.25Å; D40-K43 HydrophobicContact CB-CD 4.25Å; D40-K43 HydrophobicContact CB-CG 4.46Å; D40-K43 WeakPolarHBondContact O-CB 3.4Å; D40-K43 PolarHBondContact O-N 3.17Å; D40-K43 IonicContact OD2-NZ 2.97Å; D40-K43 PolarHBondContact OD2-NZ 3.37Å | ||
| 41 | K | 95.2 | Very high | 95.8 | Very high | 197 Ų | 197 | 87.7 Ų | 87.7 | 86% | 0.857 | 41% | 0.413 | S | S | * | . | G | 310 helix | trans | -65.6 | -24.4 | -174.3 | -66 | -176.7 | -180 | 179.6 | 0 | 113 | Q39 K43 Y44 | Q39-K41 PolarHBondContact O-N 2.77Å; K41-K43 PolarHBondContact O-N 2.68Å; K41-Y44 PolarHBondContact O-N 3.34Å; K41-Y44 VanDerWaalsContact O-N 3.12Å |
| 42 | N | 96.9 | Very high | 96 | Very high | 117 Ų | 117 | 81.6 Ų | 81.6 | 63% | 0.626 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -68.9 | -11 | 174.3 | 64.6 | -10.8 | 0 | 0 | 0 | 113.4 | D40 Y44 | D40-N42 WeakPolarHBondContact CB-OD1 3.25Å; D40-N42 PolarHBondContact O-N 3.25Å; N42-Y44 VanDerWaalsContact C-N 3.32Å; N42-Y44 VanDerWaalsContact O-CD2 3.24Å; N42-Y44 WeakPolarHBondContact O-CD2 3.46Å; N42-Y44 WeakPolarHBondContact O-CE2 3.29Å |
| 43 | K | 95.5 | Very high | 96.1 | Very high | 82 Ų | 82 | 79.9 Ų | 79.9 | 36% | 0.357 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -89.5 | 4.5 | 171.8 | -63.8 | 171.1 | 177.7 | 154.5 | 0 | 112.8 | Q39 D40 K41 N45 T46 | Q39-K43 VanDerWaalsContact CD-CD 3.43Å; Q39-K43 HydrophobicContact CG-CB 4.03Å; Q39-K43 HydrophobicContact CG-CD 3.99Å; D40-K43 HydrophobicContact CB-CD 4.25Å; D40-K43 HydrophobicContact CB-CG 4.46Å; D40-K43 WeakPolarHBondContact O-CB 3.4Å; D40-K43 PolarHBondContact O-N 3.17Å; D40-K43 IonicContact OD2-NZ 2.97Å; D40-K43 PolarHBondContact OD2-NZ 3.37Å; K41-K43 PolarHBondContact O-N 2.68Å; K43-N45 PolarHBondContact O-N 3.25Å; K43-N45 VanDerWaalsContact O-N 3.16Å; K43-T46 VanDerWaalsContact O-CB 3.23Å; K43-T46 WeakPolarHBondContact O-CB 3.41Å; K43-T46 PolarHBondContact O-N 3.12Å; K43-T46 PolarHBondContact O-OG1 3.48Å; K43-T46 VanDerWaalsContact O-OG1 3.08Å |
| 44 | Y | 94 | Very high | 96.2 | Very high | 211 Ų | 211 | 80.6 Ų | 80.6 | 83% | 0.827 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.7 | -116.8 | 174.5 | -58.6 | -81.1 | 0 | 0 | 0 | 113.4 | K41 N42 | K41-Y44 PolarHBondContact O-N 3.34Å; K41-Y44 VanDerWaalsContact O-N 3.12Å; N42-Y44 VanDerWaalsContact C-N 3.32Å; N42-Y44 VanDerWaalsContact O-CD2 3.24Å; N42-Y44 WeakPolarHBondContact O-CD2 3.46Å; N42-Y44 WeakPolarHBondContact O-CE2 3.29Å |
| 45 | N | 93.1 | Very high | 96.3 | Very high | 157 Ų | 157 | 76.5 Ų | 76.5 | 84% | 0.84 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | 12.2 | -176.5 | -161.6 | 24.9 | 0 | 0 | 0 | 113.4 | K43 P47 | K43-N45 PolarHBondContact O-N 3.25Å; K43-N45 VanDerWaalsContact O-N 3.16Å; N45-P47 WeakPolarHBondContact O-CD 3.45Å |
| 46 | T | 95.2 | Very high | 96.3 | Very high | 87 Ų | 87 | 71.5 Ų | 71.5 | 53% | 0.534 | 35% | 0.352 | S | S | . | . | trans | -69.1 | 118.3 | 178.4 | -60.6 | 0 | 0 | 0 | 0 | 110.3 | K43 K48 | K43-T46 VanDerWaalsContact O-CB 3.23Å; K43-T46 WeakPolarHBondContact O-CB 3.41Å; K43-T46 PolarHBondContact O-N 3.12Å; K43-T46 PolarHBondContact O-OG1 3.48Å; K43-T46 VanDerWaalsContact O-OG1 3.08Å; T46-K48 PolarHBondContact O-N 2.92Å | ||
| 47 | P | 95.4 | Very high | 96.3 | Very high | 44 Ų | 44 | 77.5 Ų | 77.5 | 29% | 0.286 | 39% | 0.385 | S | S | . | . | trans | -67.2 | 131.2 | -177.3 | 26.7 | -34.1 | 0 | 0 | 0 | 111.4 | N45 Y49 Y66 | N45-P47 WeakPolarHBondContact O-CD 3.45Å; P47-Y49 HydrophobicContact CB-CE1 4.11Å; P47-Y49 HydrophobicContact CB-CE2 4.31Å; P47-Y49 HydrophobicContact CG-CE1 4.08Å; P47-Y49 HydrophobicContact CG-CE2 3.77Å; P47-Y49 VanDerWaalsContact CG-CZ 3.43Å; P47-Y49 VanDerWaalsContact CG-OH 3.23Å; P47-Y49 WeakPolarHBondContact CG-OH 3.43Å; P47-Y66 HydrophobicContact CB-CD1 4.37Å; P47-Y66 HydrophobicContact CB-CD2 3.84Å; P47-Y66 HydrophobicContact CB-CE2 4.48Å; P47-Y66 HydrophobicContact CB-CG 3.76Å | ||
| 48 | K | 97.2 | Very high | 96.2 | Very high | 43 Ų | 43 | 85.4 Ų | 85.4 | 19% | 0.187 | 41% | 0.409 | C | S | . | . | trans | -87.5 | 106.3 | 168.6 | -170 | 169.3 | 177.2 | 170.1 | 0 | 109.6 | L36 I38 Q39 T46 Y145 | L36-K48 WeakPolarHBondContact O-CD 3.36Å; L36-K48 VanDerWaalsContact O-CE 3.31Å; L36-K48 WeakPolarHBondContact O-CE 3.45Å; I38-K48 WeakPolarHBondContact O-CD 3.44Å; I38-K48 PolarHBondContact O-NZ 3.19Å; Q39-K48 HydrophobicContact CB-CB 4.3Å; Q39-K48 HydrophobicContact CB-CD 4.25Å; T46-K48 PolarHBondContact O-N 2.92Å; K48-Y145 HydrophobicContact CD-CE2 4.32Å; K48-Y145 HydrophobicContact CG-CD2 4Å; K48-Y145 HydrophobicContact CG-CE2 3.85Å | ||
| 49 | Y | 97.9 | Very high | 96.4 | Very high | 50 Ų | 50 | 82.1 Ų | 82.1 | 20% | 0.196 | 39% | 0.392 | C | S | . | . | trans | -80.5 | 139.9 | -177 | -61.7 | -73.2 | 0 | 0 | 0 | 112.6 | P47 I64 Y66 V75 F142 C144 Y145 | P47-Y49 HydrophobicContact CB-CE1 4.11Å; P47-Y49 HydrophobicContact CB-CE2 4.31Å; P47-Y49 HydrophobicContact CG-CE1 4.08Å; P47-Y49 HydrophobicContact CG-CE2 3.77Å; P47-Y49 VanDerWaalsContact CG-CZ 3.43Å; P47-Y49 VanDerWaalsContact CG-OH 3.23Å; P47-Y49 WeakPolarHBondContact CG-OH 3.43Å; Y49-I64 HydrophobicContact CD1-CG2 4.12Å; Y49-Y66 AromaticContact CD1-CD1 4Å; Y49-Y66 HydrophobicContact CD1-CD1 4Å; Y49-Y66 HydrophobicContact CD1-CG 4.43Å; Y49-Y66 AromaticContact CE1-CD1 3.65Å; Y49-Y66 HydrophobicContact CE1-CD1 3.65Å; Y49-Y66 HydrophobicContact CE1-CE1 4.33Å; Y49-Y66 HydrophobicContact CE1-CG 4.27Å; Y49-V75 HydrophobicContact CD1-CG2 4.07Å; Y49-V75 HydrophobicContact CE1-CG2 3.74Å; Y49-F142 HydrophobicContact CD1-CE1 4.28Å; Y49-F142 AromaticContact CD1-CZ 3.68Å; Y49-F142 HydrophobicContact CD1-CZ 3.68Å; Y49-F142 AromaticContact CD2-CE1 3.78Å; Y49-F142 HydrophobicContact CD2-CE1 3.78Å; Y49-F142 HydrophobicContact CD2-CE2 4.07Å; Y49-F142 AromaticContact CD2-CZ 3.38Å; Y49-F142 HydrophobicContact CD2-CZ 3.38Å; Y49-F142 HydrophobicContact CE1-CE2 4.47Å; Y49-F142 AromaticContact CE1-CZ 3.83Å; Y49-F142 HydrophobicContact CE1-CZ 3.83Å; Y49-F142 HydrophobicContact CE2-CE1 4.36Å; Y49-F142 AromaticContact CE2-CE2 3.82Å; Y49-F142 HydrophobicContact CE2-CE2 3.82Å; Y49-F142 AromaticContact CE2-CZ 3.54Å; Y49-F142 HydrophobicContact CE2-CZ 3.54Å; Y49-F142 AromaticContact CG-CE1 3.72Å; Y49-F142 HydrophobicContact CG-CE1 3.72Å; Y49-F142 HydrophobicContact CG-CE2 4.49Å; Y49-F142 AromaticContact CG-CZ 3.44Å; Y49-F142 HydrophobicContact CG-CZ 3.44Å; Y49-F142 VanDerWaalsContact CG-CZ 3.44Å; Y49-F142 AromaticContact CZ-CZ 3.75Å; Y49-C144 WeakPolarHBondContact O-CA 3.4Å; Y49-Y145 WeakPolarHBondContact O-CD2 3.49Å; Y49-Y145 PolarHBondContact O-N 3.15Å | ||
| 50 | R | 98.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 79.9 Ų | 79.9 | 0% | 0.004 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 130.5 | 177.3 | -62.5 | 177.5 | -66.5 | 134.3 | -1.6 | 109.8 | L36 I52 I64 A65 D72 Y145 D147 | L36-R50 HydrophobicContact CB-CG 4.35Å; R50-I52 PolarHBondContact O-N 2.95Å; R50-I64 WeakPolarHBondContact O-CA 3.47Å; R50-A65 PolarHBondContact N-O 3.44Å; R50-A65 PolarHBondContact O-N 3.26Å; R50-D72 IonicContact CZ-OD2 2.69Å; R50-D72 IonicContact NH2-OD1 3.82Å; R50-D72 PolarHBondContact NH2-OD1 3.28Å; R50-D72 VanDerWaalsContact NH2-OD1 3.15Å; R50-D72 IonicContact NH2-OD2 3.63Å; R50-D72 PolarHBondContact NH2-OD2 3.35Å; R50-Y145 CarbonylContact C-O 3.35Å; R50-Y145 VanDerWaalsContact CA-O 3.22Å; R50-Y145 WeakPolarHBondContact CA-O 3.42Å; R50-D147 HydrophobicContact CB-CB 4.43Å; R50-D147 IonicContact NH1-OD2 2.78Å; R50-D147 PolarHBondContact NH1-OD2 3.18Å |
| 51 | M | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 106.1 | 168.1 | -173.6 | -165.4 | -178.8 | 0 | 0 | 108.8 | V53 C62 Q63 L105 Y145 L146 D147 A162 A166 I173 | M51-V53 HydrophobicContact CE-CG2 3.75Å; M51-V53 HydrophobicContact CG-CG2 4.23Å; M51-V53 HydrophobicContact SD-CG2 4.17Å; M51-C62 HydrophobicContact CE-CB 4.48Å; M51-Q63 CarbonylContact C-O 3.59Å; M51-Q63 WeakPolarHBondContact CA-O 3.23Å; M51-L105 HydrophobicContact CE-CD2 3.96Å; M51-L105 HydrophobicContact CG-CD2 4.11Å; M51-Y145 PolarHBondContact N-O 3.09Å; M51-L146 HydrophobicContact SD-CD1 4.46Å; M51-D147 PolarHBondContact O-N 3.5Å; M51-A162 HydrophobicContact CE-CB 4.25Å; M51-A162 WeakPolarHBondContact CE-O 3.39Å; M51-A166 HydrophobicContact CE-CB 3.52Å; M51-A166 HydrophobicContact SD-CB 3.78Å; M51-I173 HydrophobicContact CB-CD1 4.39Å; M51-I173 HydrophobicContact SD-CD1 3.49Å; M51-I173 WeakPolarHBondContact SD-CD1 3.27Å |
| 52 | I | 98.2 | Very high | 96.8 | Very high | 19 Ų | 19 | 68.2 Ų | 68.2 | 10% | 0.097 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 114.9 | 179.2 | -56 | 174.5 | 0 | 0 | 0 | 108.4 | R50 R54 C62 Q63 A65 D147 | R50-I52 PolarHBondContact O-N 2.95Å; I52-R54 HydrophobicContact CG2-CG 4.08Å; I52-C62 WeakPolarHBondContact O-CA 3.3Å; I52-Q63 HydrophobicContact CB-CB 4.42Å; I52-Q63 PolarHBondContact N-O 3.5Å; I52-Q63 PolarHBondContact O-N 3.42Å; I52-A65 HydrophobicContact CD1-CB 3.82Å; I52-D147 HydrophobicContact CG1-CB 4.04Å |
| 53 | V | 98.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.006 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 123.8 | 174.7 | -175.7 | 0 | 0 | 0 | 0 | 109.6 | M51 I61 L146 D147 V159 A162 | M51-V53 HydrophobicContact CE-CG2 3.75Å; M51-V53 HydrophobicContact CG-CG2 4.23Å; M51-V53 HydrophobicContact SD-CG2 4.17Å; V53-I61 CarbonylContact C-O 3.48Å; V53-I61 WeakPolarHBondContact CA-O 3.4Å; V53-L146 HydrophobicContact CG2-CD1 3.87Å; V53-D147 PolarHBondContact N-O 3.29Å; V53-V159 HydrophobicContact CB-CG1 4.15Å; V53-V159 HydrophobicContact CG1-CB 4.4Å; V53-V159 HydrophobicContact CG1-CG1 4.37Å; V53-V159 HydrophobicContact CG1-CG2 4.17Å; V53-A162 HydrophobicContact CG1-CB 3.86Å; V53-A162 HydrophobicContact CG2-CB 4.01Å |
| 54 | R | 97.8 | Very high | 97 | Very high | 68 Ų | 68 | 60.2 Ų | 60.2 | 26% | 0.257 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 114.8 | 177.2 | -62.6 | -66 | 178.4 | -90.2 | -0.8 | 109.7 | I52 I61 D147 G149 | I52-R54 HydrophobicContact CG2-CG 4.08Å; R54-I61 HydrophobicContact CB-CB 4.31Å; R54-I61 PolarHBondContact N-O 3.19Å; R54-I61 PolarHBondContact O-N 2.93Å; R54-D147 IonicContact CZ-OD1 3.23Å; R54-D147 PolarHBondContact NH1-O 2.71Å; R54-D147 IonicContact NH1-OD1 2.82Å; R54-D147 IonicContact NH2-OD1 2.71Å; R54-D147 PolarHBondContact NH2-OD1 3.36Å; R54-D147 IonicContact NH2-OD2 3.84Å; R54-G149 VanDerWaalsContact NH2-CA 3.29Å |
| 55 | V | 96.8 | Very high | 97.2 | Very high | 53 Ų | 53 | 50.2 Ų | 50.2 | 32% | 0.321 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 124.6 | 173.7 | -177 | 0 | 0 | 0 | 0 | 108.3 | I60 K158 V159 | V55-I60 HydrophobicContact CG1-CG1 4.38Å; V55-I60 HydrophobicContact CG2-CG2 4.41Å; V55-K158 HydrophobicContact CG2-CB 4.16Å; V55-V159 HydrophobicContact CG2-CG2 4.48Å |
| 56 | T | 96.3 | Very high | 97.4 | Very high | 56 Ų | 56 | 44.6 Ų | 44.6 | 34% | 0.344 | 22% | 0.217 | S | C | . | . | trans | -106.6 | 176 | 170.4 | 74.2 | 0 | 0 | 0 | 0 | 109.4 | R58 D59 I61 | T56-R58 PolarHBondContact O-N 2.78Å; T56-D59 WeakPolarHBondContact CA-O 3.24Å; T56-D59 PolarHBondContact N-O 3.14Å; T56-D59 WeakPolarHBondContact OG1-CA 3.41Å; T56-D59 PolarHBondContact OG1-N 2.74Å; T56-D59 PolarHBondContact OG1-O 2.7Å; T56-I61 HydrophobicContact CG2-CD1 4.03Å | ||
| 57 | N | 95.6 | Very high | 97.5 | Very high | 163 Ų | 163 | 42.3 Ų | 42.3 | 87% | 0.872 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -67.8 | -15.7 | -178.4 | -64.7 | -4.6 | 0 | 0 | 0 | 113.9 | ||
| 58 | R | 95.3 | Very high | 97.5 | Very high | 216 Ų | 216 | 46.9 Ų | 46.9 | 82% | 0.815 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -131.6 | -9.6 | -176.1 | -66.5 | -174 | 178.8 | 177.8 | -0.8 | 114.5 | T56 T93 | T56-R58 PolarHBondContact O-N 2.78Å; R58-T93 VanDerWaalsContact C-CG2 3.49Å |
| 59 | D | 97.7 | Very high | 97.4 | Very high | 25 Ų | 25 | 53.6 Ų | 53.6 | 13% | 0.134 | 26% | 0.255 | C | S | . | . | trans | -151.9 | 153.6 | -170.4 | -160.8 | 6.5 | 0 | 0 | 0 | 110.7 | T56 A80 H81 | T56-D59 WeakPolarHBondContact CA-O 3.24Å; T56-D59 PolarHBondContact N-O 3.14Å; T56-D59 WeakPolarHBondContact OG1-CA 3.41Å; T56-D59 PolarHBondContact OG1-N 2.74Å; T56-D59 PolarHBondContact OG1-O 2.7Å; D59-A80 WeakPolarHBondContact OD1-CA 3.35Å; D59-A80 WeakPolarHBondContact OD1-CB 3.47Å; D59-A80 PolarHBondContact OD1-N 3.31Å; D59-H81 PolarHBondContact OD1-N 3.34Å; D59-H81 VanDerWaalsContact OD1-N 3.13Å; D59-H81 IonicContact OD1-ND1 3.81Å; D59-H81 IonicContact OD2-CE1 2.78Å; D59-H81 IonicContact OD2-CG 2.72Å; D59-H81 IonicContact OD2-ND1 2.76Å; D59-H81 PolarHBondContact OD2-ND1 3.5Å | ||
| 60 | I | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 124.2 | 175 | -57.1 | 169 | 0 | 0 | 0 | 107.2 | V55 Y79 A80 A97 A98 T101 | V55-I60 HydrophobicContact CG1-CG1 4.38Å; V55-I60 HydrophobicContact CG2-CG2 4.41Å; I60-Y79 CarbonylContact O-C 3.47Å; I60-Y79 WeakPolarHBondContact O-CA 3.49Å; I60-A80 HydrophobicContact CB-CB 4.03Å; I60-A80 HydrophobicContact CG1-CB 4.43Å; I60-A80 PolarHBondContact O-N 2.82Å; I60-A97 HydrophobicContact CD1-CB 4.23Å; I60-A98 HydrophobicContact CD1-CB 3.72Å; I60-A98 HydrophobicContact CG2-CB 4.45Å; I60-T101 HydrophobicContact CB-CG2 4.38Å |
| 61 | I | 98.3 | Very high | 97.2 | Very high | 39 Ų | 39 | 61.5 Ų | 61.5 | 20% | 0.2 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 118.9 | -174.8 | -52 | 176.2 | 0 | 0 | 0 | 107.9 | V53 R54 T56 Q63 Y79 | V53-I61 CarbonylContact C-O 3.48Å; V53-I61 WeakPolarHBondContact CA-O 3.4Å; R54-I61 HydrophobicContact CB-CB 4.31Å; R54-I61 PolarHBondContact N-O 3.19Å; R54-I61 PolarHBondContact O-N 2.93Å; T56-I61 HydrophobicContact CG2-CD1 4.03Å; I61-Q63 HydrophobicContact CG2-CG 4.01Å; I61-Y79 HydrophobicContact CB-CD1 4.28Å; I61-Y79 HydrophobicContact CB-CE1 4.32Å; I61-Y79 HydrophobicContact CD1-CE1 4.39Å; I61-Y79 HydrophobicContact CG1-CD1 3.89Å; I61-Y79 HydrophobicContact CG1-CE1 4.08Å; I61-Y79 HydrophobicContact CG2-CD1 3.97Å; I61-Y79 HydrophobicContact CG2-CE1 3.58Å |
| 62 | C | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 124.3 | 176.7 | -67.3 | 0 | 0 | 0 | 0 | 108.4 | M51 I52 A77 A78 T101 L105 | M51-C62 HydrophobicContact CE-CB 4.48Å; I52-C62 WeakPolarHBondContact O-CA 3.3Å; C62-A77 WeakPolarHBondContact O-CA 3.42Å; C62-A78 PolarHBondContact N-O 3.33Å; C62-A78 PolarHBondContact O-N 3.41Å; C62-A78 VanDerWaalsContact O-O 3.1Å; C62-T101 PolarHBondContact SG-OG1 3.21Å; C62-L105 HydrophobicContact CB-CB 4.31Å; C62-L105 HydrophobicContact CB-CD2 3.72Å |
| 63 | Q | 98.4 | Very high | 97.1 | Very high | 32 Ų | 32 | 66.8 Ų | 66.8 | 15% | 0.15 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 148.7 | -177.6 | -65.2 | 179.5 | -12.9 | 0 | 0 | 111.2 | M51 I52 I61 I74 C76 A77 Y79 | M51-Q63 CarbonylContact C-O 3.59Å; M51-Q63 WeakPolarHBondContact CA-O 3.23Å; I52-Q63 HydrophobicContact CB-CB 4.42Å; I52-Q63 PolarHBondContact N-O 3.5Å; I52-Q63 PolarHBondContact O-N 3.42Å; I61-Q63 HydrophobicContact CG2-CG 4.01Å; Q63-I74 HydrophobicContact CB-CG2 4.5Å; Q63-C76 CarbonylContact C-O 3.58Å; Q63-C76 WeakPolarHBondContact CA-O 3.4Å; Q63-A77 HydrophobicContact CG-CB 3.89Å; Q63-Y79 PolarHBondContact NE2-OH 3Å |
| 64 | I | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 124 | 167.3 | -62.7 | -178.7 | 0 | 0 | 0 | 107.8 | Y49 R50 V75 C76 L105 L109 F142 L171 | Y49-I64 HydrophobicContact CD1-CG2 4.12Å; R50-I64 WeakPolarHBondContact O-CA 3.47Å; I64-V75 HydrophobicContact CB-CB 4.47Å; I64-V75 HydrophobicContact CG2-CB 4.26Å; I64-V75 HydrophobicContact CG2-CG2 4.35Å; I64-V75 PolarHBondContact O-N 3.01Å; I64-C76 PolarHBondContact N-O 3.23Å; I64-C76 PolarHBondContact O-N 2.82Å; I64-L105 HydrophobicContact CD1-CD1 4.48Å; I64-L105 HydrophobicContact CD1-CD2 4.25Å; I64-L105 HydrophobicContact CD1-CG 4.13Å; I64-L105 HydrophobicContact CG1-CD1 4.15Å; I64-L105 HydrophobicContact CG1-CD2 3.83Å; I64-L105 HydrophobicContact CG1-CG 4.06Å; I64-L109 HydrophobicContact CB-CD1 4.4Å; I64-L109 HydrophobicContact CD1-CB 4.17Å; I64-L109 HydrophobicContact CD1-CD1 3.87Å; I64-L109 HydrophobicContact CD1-CD2 3.25Å; I64-L109 HydrophobicContact CD1-CG 3.94Å; I64-L109 HydrophobicContact CG2-CD1 4.4Å; I64-F142 HydrophobicContact CG2-CE1 4.08Å; I64-F142 HydrophobicContact CG2-CZ 4.26Å; I64-L171 HydrophobicContact CD1-CD1 3.6Å |
| 65 | A | 98 | Very high | 97 | Very high | 1 Ų | 1 | 68.5 Ų | 68.5 | 1% | 0.008 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 154 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112 | R50 I52 M73 I74 | R50-A65 PolarHBondContact N-O 3.44Å; R50-A65 PolarHBondContact O-N 3.26Å; I52-A65 HydrophobicContact CD1-CB 3.82Å; A65-M73 WeakPolarHBondContact CA-O 3.3Å; A65-M73 WeakPolarHBondContact CB-O 3.37Å; A65-I74 HydrophobicContact CB-CG1 4.47Å |
| 66 | Y | 97.5 | Very high | 97 | Very high | 39 Ų | 39 | 66.4 Ų | 66.4 | 15% | 0.153 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 155.6 | 168.5 | 62.6 | -85.5 | 0 | 0 | 0 | 109.2 | P47 Y49 R68 D72 M73 V75 | P47-Y66 HydrophobicContact CB-CD1 4.37Å; P47-Y66 HydrophobicContact CB-CD2 3.84Å; P47-Y66 HydrophobicContact CB-CE2 4.48Å; P47-Y66 HydrophobicContact CB-CG 3.76Å; Y49-Y66 AromaticContact CD1-CD1 4Å; Y49-Y66 HydrophobicContact CD1-CD1 4Å; Y49-Y66 HydrophobicContact CD1-CG 4.43Å; Y49-Y66 AromaticContact CE1-CD1 3.65Å; Y49-Y66 HydrophobicContact CE1-CD1 3.65Å; Y49-Y66 HydrophobicContact CE1-CE1 4.33Å; Y49-Y66 HydrophobicContact CE1-CG 4.27Å; Y66-R68 HydrophobicContact CD2-CG 4.23Å; Y66-R68 HydrophobicContact CE2-CG 3.84Å; Y66-R68 PolarHBondContact OH-NH2 2.99Å; Y66-D72 CarbonylContact O-C 3.6Å; Y66-D72 WeakPolarHBondContact O-CA 3.1Å; Y66-M73 HydrophobicContact CD1-CB 4.29Å; Y66-M73 HydrophobicContact CD2-CB 4.42Å; Y66-M73 HydrophobicContact CE1-CB 3.72Å; Y66-M73 HydrophobicContact CE2-CB 3.87Å; Y66-M73 HydrophobicContact CE2-CG 4.12Å; Y66-M73 VanDerWaalsContact CZ-CB 3.48Å; Y66-M73 PolarHBondContact N-O 2.97Å; Y66-M73 VanDerWaalsContact N-O 3.09Å; Y66-M73 PolarHBondContact O-N 3.1Å; Y66-V75 HydrophobicContact CD1-CG2 3.61Å; Y66-V75 HydrophobicContact CE1-CG2 3.65Å |
| 67 | A | 97 | Very high | 97.1 | Very high | 39 Ų | 39 | 64.8 Ų | 64.8 | 32% | 0.322 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 139.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | V37 | V37-A67 HydrophobicContact CG1-CB 3.61Å; V37-A67 HydrophobicContact CG2-CB 4.14Å |
| 68 | R | 95.9 | Very high | 97.2 | Very high | 140 Ų | 140 | 57 Ų | 57 | 53% | 0.528 | 28% | 0.282 | S | S | . | . | trans | -125.5 | 170.8 | 162.9 | -67.8 | -169.7 | 171.5 | 175.2 | 1.9 | 109.7 | Y66 E70 G71 M73 | Y66-R68 HydrophobicContact CD2-CG 4.23Å; Y66-R68 HydrophobicContact CE2-CG 3.84Å; Y66-R68 PolarHBondContact OH-NH2 2.99Å; R68-E70 VanDerWaalsContact C-N 3.3Å; R68-E70 PolarHBondContact O-N 3.45Å; R68-G71 WeakPolarHBondContact CA-O 3.42Å; R68-G71 WeakPolarHBondContact CB-O 3.47Å; R68-G71 PolarHBondContact N-O 3.49Å; R68-G71 PolarHBondContact O-N 2.87Å; R68-M73 HydrophobicContact CG-CG 4.02Å | ||
| 69 | I | 95.4 | Very high | 97.3 | Very high | 184 Ų | 184 | 49.7 Ų | 49.7 | 94% | 0.944 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -60.6 | -40.5 | 178.6 | -60.2 | 173.2 | 0 | 0 | 0 | 111.2 | G71 | I69-G71 VanDerWaalsContact C-N 3.35Š|
| 70 | E | 96.6 | Very high | 97.3 | Very high | 184 Ų | 184 | 48.5 Ų | 48.5 | 86% | 0.86 | 25% | 0.248 | S | C | * | . | S | Bend | trans | -71.1 | -29.5 | 178.6 | -60.9 | 177.1 | 167.4 | 0 | 0 | 113 | R68 | R68-E70 VanDerWaalsContact C-N 3.3Å; R68-E70 PolarHBondContact O-N 3.45Å |
| 71 | G | 95.2 | Very high | 97.2 | Very high | 33 Ų | 33 | 52.8 Ų | 52.8 | 34% | 0.34 | 27% | 0.268 | S | S | . | . | trans | 158.8 | 178.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113 | R68 I69 | R68-G71 WeakPolarHBondContact CA-O 3.42Å; R68-G71 WeakPolarHBondContact CB-O 3.47Å; R68-G71 PolarHBondContact N-O 3.49Å; R68-G71 PolarHBondContact O-N 2.87Å; I69-G71 VanDerWaalsContact C-N 3.35Å | ||
| 72 | D | 97 | Very high | 97.1 | Very high | 51 Ų | 51 | 51.7 Ų | 51.7 | 27% | 0.273 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 132.7 | 173.3 | -70.6 | -6.2 | 0 | 0 | 0 | 109.8 | R33 R50 Y66 | R33-D72 IonicContact CZ-OD1 3.64Å; R33-D72 IonicContact CZ-OD2 2.72Å; R33-D72 VanDerWaalsContact CZ-OD2 3.25Å; R33-D72 IonicContact NH1-OD2 3.68Å; R33-D72 PolarHBondContact NH1-OD2 3.13Å; R33-D72 IonicContact NH2-OD1 2.77Å; R33-D72 PolarHBondContact NH2-OD1 3.15Å; R33-D72 IonicContact NH2-OD2 3.22Å; R33-D72 PolarHBondContact NH2-OD2 2.99Å; R50-D72 IonicContact CZ-OD2 2.69Å; R50-D72 IonicContact NH2-OD1 3.82Å; R50-D72 PolarHBondContact NH2-OD1 3.28Å; R50-D72 VanDerWaalsContact NH2-OD1 3.15Å; R50-D72 IonicContact NH2-OD2 3.63Å; R50-D72 PolarHBondContact NH2-OD2 3.35Å; Y66-D72 CarbonylContact O-C 3.6Å; Y66-D72 WeakPolarHBondContact O-CA 3.1Å |
| 73 | M | 97.4 | Very high | 97 | Very high | 78 Ų | 78 | 51.7 Ų | 51.7 | 38% | 0.384 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 123 | 172.2 | -65.1 | -59.2 | -68.8 | 0 | 0 | 109.1 | A65 Y66 R68 | A65-M73 WeakPolarHBondContact CA-O 3.3Å; A65-M73 WeakPolarHBondContact CB-O 3.37Å; Y66-M73 HydrophobicContact CD1-CB 4.29Å; Y66-M73 HydrophobicContact CD2-CB 4.42Å; Y66-M73 HydrophobicContact CE1-CB 3.72Å; Y66-M73 HydrophobicContact CE2-CB 3.87Å; Y66-M73 HydrophobicContact CE2-CG 4.12Å; Y66-M73 VanDerWaalsContact CZ-CB 3.48Å; Y66-M73 PolarHBondContact N-O 2.97Å; Y66-M73 VanDerWaalsContact N-O 3.09Å; Y66-M73 PolarHBondContact O-N 3.1Å; R68-M73 HydrophobicContact CG-CG 4.02Å |
| 74 | I | 97.6 | Very high | 96.9 | Very high | 89 Ų | 89 | 52.7 Ų | 52.7 | 46% | 0.456 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 124 | 175.3 | -60.5 | 170.6 | 0 | 0 | 0 | 108.6 | Q63 A65 C76 A77 | Q63-I74 HydrophobicContact CB-CG2 4.5Å; A65-I74 HydrophobicContact CB-CG1 4.47Å; I74-C76 WeakPolarHBondContact CG2-O 3.48Å; I74-A77 HydrophobicContact CG2-CB 4.36Å |
| 75 | V | 96.5 | Very high | 96.8 | Very high | 16 Ų | 16 | 58.9 Ų | 58.9 | 10% | 0.097 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | -49.2 | 174.4 | -173.6 | 0 | 0 | 0 | 0 | 110.1 | Y49 I64 Y66 L109 R112 F113 | Y49-V75 HydrophobicContact CD1-CG2 4.07Å; Y49-V75 HydrophobicContact CE1-CG2 3.74Å; I64-V75 HydrophobicContact CB-CB 4.47Å; I64-V75 HydrophobicContact CG2-CB 4.26Å; I64-V75 HydrophobicContact CG2-CG2 4.35Å; I64-V75 PolarHBondContact O-N 3.01Å; Y66-V75 HydrophobicContact CD1-CG2 3.61Å; Y66-V75 HydrophobicContact CE1-CG2 3.65Å; V75-L109 HydrophobicContact CB-CD1 4.23Å; V75-L109 HydrophobicContact CG1-CD1 3.58Å; V75-R112 PolarHBondContact O-NH1 3.3Å; V75-F113 HydrophobicContact CG1-CE2 3.9Å; V75-F113 HydrophobicContact CG1-CZ 3.87Å |
| 76 | C | 96.7 | Very high | 96.7 | Very high | 10 Ų | 10 | 60 Ų | 60 | 7% | 0.068 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 151.5 | -177.7 | -166.1 | 0 | 0 | 0 | 0 | 109.5 | Q63 I64 I74 L105 R108 L109 | Q63-C76 CarbonylContact C-O 3.58Å; Q63-C76 WeakPolarHBondContact CA-O 3.4Å; I64-C76 PolarHBondContact N-O 3.23Å; I64-C76 PolarHBondContact O-N 2.82Å; I74-C76 WeakPolarHBondContact CG2-O 3.48Å; C76-L105 HydrophobicContact CB-CD1 3.92Å; C76-R108 WeakPolarHBondContact SG-CD 3.38Å; C76-R108 WeakPolarHBondContact SG-CG 3.43Å; C76-L109 HydrophobicContact CB-CB 4.37Å; C76-L109 HydrophobicContact CB-CD1 3.67Å |
| 77 | A | 97.5 | Very high | 96.6 | Very high | 22 Ų | 22 | 60 Ų | 60 | 18% | 0.182 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 144.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | C62 Q63 I74 Y79 R108 | C62-A77 WeakPolarHBondContact O-CA 3.42Å; Q63-A77 HydrophobicContact CG-CB 3.89Å; I74-A77 HydrophobicContact CG2-CB 4.36Å; A77-Y79 HydrophobicContact CB-CE2 3.86Å; A77-R108 PolarHBondContact O-NH1 3.02Å |
| 78 | A | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 147.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | C62 L104 L105 | C62-A78 PolarHBondContact N-O 3.33Å; C62-A78 PolarHBondContact O-N 3.41Å; C62-A78 VanDerWaalsContact O-O 3.1Å; A78-L104 HydrophobicContact CB-CB 4.28Å; A78-L104 HydrophobicContact CB-CD2 4.1Å; A78-L104 HydrophobicContact CB-CG 4.01Å; A78-L105 HydrophobicContact CB-CB 3.89Å; A78-L105 HydrophobicContact CB-CD1 4.42Å |
| 79 | Y | 97.9 | Very high | 96.5 | Very high | 62 Ų | 62 | 57.7 Ų | 57.7 | 24% | 0.243 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 147.5 | -177.2 | -58.2 | -95.4 | 0 | 0 | 0 | 110.1 | I60 I61 Q63 A77 H81 E82 | I60-Y79 CarbonylContact O-C 3.47Å; I60-Y79 WeakPolarHBondContact O-CA 3.49Å; I61-Y79 HydrophobicContact CB-CD1 4.28Å; I61-Y79 HydrophobicContact CB-CE1 4.32Å; I61-Y79 HydrophobicContact CD1-CE1 4.39Å; I61-Y79 HydrophobicContact CG1-CD1 3.89Å; I61-Y79 HydrophobicContact CG1-CE1 4.08Å; I61-Y79 HydrophobicContact CG2-CD1 3.97Å; I61-Y79 HydrophobicContact CG2-CE1 3.58Å; Q63-Y79 PolarHBondContact NE2-OH 3Å; A77-Y79 HydrophobicContact CB-CE2 3.86Å; Y79-H81 WeakPolarHBondContact CB-CE1 3.22Å; Y79-H81 VanDerWaalsContact CB-ND1 3.27Å; Y79-H81 WeakPolarHBondContact CB-ND1 3.28Å; Y79-H81 AromaticContact CD1-CE1 3.82Å; Y79-H81 AromaticContact CD2-CE1 3.99Å; Y79-H81 AromaticContact CG-CE1 3.4Å; Y79-H81 VanDerWaalsContact CG-CE1 3.4Å; Y79-H81 AromaticContact CG-ND1 3.93Å; Y79-H81 PolarHBondContact O-N 2.93Å; Y79-E82 WeakPolarHBondContact CD2-OE1 3.47Å; Y79-E82 WeakPolarHBondContact O-CB 3.34Å; Y79-E82 PolarHBondContact O-N 2.8Å |
| 80 | A | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -64.7 | -29.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D59 I60 E82 L83 L92 T101 | D59-A80 WeakPolarHBondContact OD1-CA 3.35Å; D59-A80 WeakPolarHBondContact OD1-CB 3.47Å; D59-A80 PolarHBondContact OD1-N 3.31Å; I60-A80 HydrophobicContact CB-CB 4.03Å; I60-A80 HydrophobicContact CG1-CB 4.43Å; I60-A80 PolarHBondContact O-N 2.82Å; A80-E82 PolarHBondContact O-N 3.38Å; A80-L83 HydrophobicContact CB-CD1 4.17Å; A80-L83 VanDerWaalsContact O-CB 3.24Å; A80-L83 WeakPolarHBondContact O-CB 3.22Å; A80-L83 WeakPolarHBondContact O-CG 3.37Å; A80-L83 PolarHBondContact O-N 3.09Å; A80-L92 HydrophobicContact CB-CB 4.01Å; A80-L92 VanDerWaalsContact CB-O 3.31Å; A80-L92 WeakPolarHBondContact CB-O 3.46Å; A80-L92 WeakPolarHBondContact O-CD2 3.49Å; A80-T101 HydrophobicContact CB-CG2 3.66Å |
| 81 | H | 96.4 | Very high | 96.5 | Very high | 90 Ų | 90 | 41.2 Ų | 41.2 | 42% | 0.417 | 23% | 0.225 | S | C | . | . | G | 310 helix | trans | -65.5 | -5.8 | 173.6 | 72.3 | -100.5 | 0 | 0 | 0 | 114.7 | D59 Y79 P84 | D59-H81 PolarHBondContact OD1-N 3.34Å; D59-H81 VanDerWaalsContact OD1-N 3.13Å; D59-H81 IonicContact OD1-ND1 3.81Å; D59-H81 IonicContact OD2-CE1 2.78Å; D59-H81 IonicContact OD2-CG 2.72Å; D59-H81 IonicContact OD2-ND1 2.76Å; D59-H81 PolarHBondContact OD2-ND1 3.5Å; Y79-H81 WeakPolarHBondContact CB-CE1 3.22Å; Y79-H81 VanDerWaalsContact CB-ND1 3.27Å; Y79-H81 WeakPolarHBondContact CB-ND1 3.28Å; Y79-H81 AromaticContact CD1-CE1 3.82Å; Y79-H81 AromaticContact CD2-CE1 3.99Å; Y79-H81 AromaticContact CG-CE1 3.4Å; Y79-H81 VanDerWaalsContact CG-CE1 3.4Å; Y79-H81 AromaticContact CG-ND1 3.93Å; Y79-H81 PolarHBondContact O-N 2.93Å; H81-P84 WeakPolarHBondContact O-CD 3.39Å |
| 82 | E | 95.9 | Very high | 96.6 | Very high | 16 Ų | 16 | 41.3 Ų | 41.3 | 8% | 0.075 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -86.1 | -23.4 | 169 | -59.8 | -179.7 | -161.9 | 0 | 0 | 112.3 | Y79 A80 P84 K85 L104 R108 | Y79-E82 WeakPolarHBondContact CD2-OE1 3.47Å; Y79-E82 WeakPolarHBondContact O-CB 3.34Å; Y79-E82 PolarHBondContact O-N 2.8Å; A80-E82 PolarHBondContact O-N 3.38Å; E82-P84 VanDerWaalsContact C-N 3.31Å; E82-K85 VanDerWaalsContact O-CB 3.29Å; E82-K85 WeakPolarHBondContact O-CB 3.16Å; E82-K85 WeakPolarHBondContact O-CG 3.46Å; E82-K85 PolarHBondContact O-N 2.99Å; E82-L104 HydrophobicContact CB-CD2 4.24Å; E82-R108 IonicContact OE1-NH1 2.85Å; E82-R108 IonicContact OE2-CZ 2.94Å; E82-R108 VanDerWaalsContact OE2-CZ 3.23Å; E82-R108 IonicContact OE2-NH1 3.92Å; E82-R108 PolarHBondContact OE2-NH1 3.32Å; E82-R108 IonicContact OE2-NH2 2.78Å; E82-R108 PolarHBondContact OE2-NH2 3.36Å |
| 83 | L | 96.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -58.2 | -28.5 | -177.8 | -59.8 | 177.9 | 0 | 0 | 0 | 115.6 | A80 K85 Y86 G87 V88 L92 A97 C100 T101 I247 | A80-L83 HydrophobicContact CB-CD1 4.17Å; A80-L83 VanDerWaalsContact O-CB 3.24Å; A80-L83 WeakPolarHBondContact O-CB 3.22Å; A80-L83 WeakPolarHBondContact O-CG 3.37Å; A80-L83 PolarHBondContact O-N 3.09Å; L83-K85 PolarHBondContact O-N 2.95Å; L83-K85 VanDerWaalsContact O-N 3.14Å; L83-Y86 CarbonylContact O-C 3.54Å; L83-Y86 WeakPolarHBondContact O-CA 3.2Å; L83-Y86 PolarHBondContact O-N 2.95Å; L83-G87 PolarHBondContact O-N 2.89Å; L83-V88 CarbonylContact C-O 3.59Å; L83-V88 HydrophobicContact CB-CB 3.96Å; L83-V88 PolarHBondContact O-N 3.28Å; L83-L92 HydrophobicContact CB-CD2 4.2Å; L83-L92 HydrophobicContact CD1-CD2 4.41Å; L83-A97 HydrophobicContact CD1-CB 3.9Å; L83-C100 HydrophobicContact CD1-CB 3.95Å; L83-C100 HydrophobicContact CD2-CB 3.58Å; L83-C100 HydrophobicContact CG-CB 4.43Å; L83-T101 HydrophobicContact CD1-CG2 3.94Å; L83-T101 HydrophobicContact CD2-CG2 4.4Å; L83-T101 HydrophobicContact CG-CG2 4.2Å; L83-I247 HydrophobicContact CD2-CD1 4.16Å |
| 84 | P | 96.4 | Very high | 96.5 | Very high | 53 Ų | 53 | 38.6 Ų | 38.6 | 34% | 0.344 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -56.7 | -26.4 | 171.6 | -29.1 | 36.7 | 0 | 0 | 0 | 114.1 | H81 E82 Y86 G87 V88 L92 | H81-P84 WeakPolarHBondContact O-CD 3.39Å; E82-P84 VanDerWaalsContact C-N 3.31Å; P84-Y86 PolarHBondContact O-N 3.29Å; P84-G87 PolarHBondContact O-N 3.02Å; P84-V88 VanDerWaalsContact CA-O 3.27Å; P84-V88 WeakPolarHBondContact CA-O 3.41Å; P84-V88 WeakPolarHBondContact CG-O 3.46Å; P84-L92 HydrophobicContact CG-CD1 4.41Å; P84-L92 HydrophobicContact CG-CD2 4.41Å |
| 85 | K | 95.2 | Very high | 96.5 | Very high | 130 Ų | 130 | 35 Ų | 35 | 57% | 0.565 | 19% | 0.187 | S | C | * | . | G | 310 helix | trans | -65.5 | -26.8 | 172.9 | -63.6 | -172.7 | 174.5 | -166.5 | 0 | 112.8 | E82 L83 E254 | E82-K85 VanDerWaalsContact O-CB 3.29Å; E82-K85 WeakPolarHBondContact O-CB 3.16Å; E82-K85 WeakPolarHBondContact O-CG 3.46Å; E82-K85 PolarHBondContact O-N 2.99Å; L83-K85 PolarHBondContact O-N 2.95Å; L83-K85 VanDerWaalsContact O-N 3.14Å; K85-E254 IonicContact NZ-OE2 3.66Å; K85-E254 PolarHBondContact NZ-OE2 3.46Å |
| 86 | Y | 96.7 | Very high | 96.6 | Very high | 23 Ų | 23 | 34.3 Ų | 34.3 | 9% | 0.09 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -101.8 | 16.3 | -179 | -56.5 | -74.5 | 0 | 0 | 0 | 112.1 | L83 P84 L104 A243 A246 I247 N250 | L83-Y86 CarbonylContact O-C 3.54Å; L83-Y86 WeakPolarHBondContact O-CA 3.2Å; L83-Y86 PolarHBondContact O-N 2.95Å; P84-Y86 PolarHBondContact O-N 3.29Å; Y86-L104 HydrophobicContact CD2-CD2 4.47Å; Y86-L104 HydrophobicContact CE2-CD1 3.79Å; Y86-L104 HydrophobicContact CE2-CD2 3.79Å; Y86-L104 HydrophobicContact CE2-CG 4.44Å; Y86-L104 WeakPolarHBondContact OH-CD1 3.36Å; Y86-A243 VanDerWaalsContact O-CA 3.25Å; Y86-A243 WeakPolarHBondContact O-CA 3.31Å; Y86-A243 VanDerWaalsContact O-CB 3.28Å; Y86-A243 WeakPolarHBondContact O-CB 3.41Å; Y86-A246 HydrophobicContact CD1-CB 3.95Å; Y86-I247 HydrophobicContact CD1-CB 4.45Å; Y86-I247 HydrophobicContact CD1-CG1 3.74Å; Y86-I247 HydrophobicContact CD2-CG1 3.86Å; Y86-I247 HydrophobicContact CE1-CG1 4.13Å; Y86-I247 HydrophobicContact CE2-CG1 4.25Å; Y86-I247 HydrophobicContact CG-CD1 4.47Å; Y86-I247 HydrophobicContact CG-CG1 3.58Å; Y86-N250 WeakPolarHBondContact CE1-O 3.33Å; Y86-N250 PolarHBondContact OH-O 3.18Å |
| 87 | G | 95.2 | Very high | 96.7 | Very high | 41 Ų | 41 | 33.8 Ų | 33.8 | 42% | 0.423 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 95.3 | -13 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | L83 P84 K89 | L83-G87 PolarHBondContact O-N 2.89Å; P84-G87 PolarHBondContact O-N 3.02Å; G87-K89 PolarHBondContact O-N 3.48Å; G87-K89 VanDerWaalsContact O-N 3.13Å |
| 88 | V | 96.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -86.7 | 87.1 | 178.3 | -172.5 | 0 | 0 | 0 | 0 | 110.1 | L83 P84 V90 L92 Y240 A243 | L83-V88 CarbonylContact C-O 3.59Å; L83-V88 HydrophobicContact CB-CB 3.96Å; L83-V88 PolarHBondContact O-N 3.28Å; P84-V88 VanDerWaalsContact CA-O 3.27Å; P84-V88 WeakPolarHBondContact CA-O 3.41Å; P84-V88 WeakPolarHBondContact CG-O 3.46Å; V88-V90 WeakPolarHBondContact CG1-O 3.13Å; V88-L92 HydrophobicContact CG1-CD2 4.47Å; V88-Y240 HydrophobicContact CG1-CE1 3.71Å; V88-Y240 HydrophobicContact CG2-CD1 3.97Å; V88-Y240 HydrophobicContact CG2-CE1 3.94Å; V88-A243 HydrophobicContact CG2-CB 3.48Å; V88-A243 VanDerWaalsContact CG2-CB 3.48Å | ||
| 89 | K | 94.5 | Very high | 96.7 | Very high | 129 Ų | 129 | 32.8 Ų | 32.8 | 56% | 0.561 | 17% | 0.171 | S | C | * | . | trans | -78.3 | -25.1 | -176 | -63.9 | -178.4 | -177.6 | 173.7 | 0 | 114.1 | G87 | G87-K89 PolarHBondContact O-N 3.48Å; G87-K89 VanDerWaalsContact O-N 3.13Å | ||
| 90 | V | 95.6 | Very high | 96.8 | Very high | 7 Ų | 7 | 29.8 Ų | 29.8 | 4% | 0.042 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -129.9 | 165.8 | -171.8 | -67 | 0 | 0 | 0 | 0 | 110.9 | V88 Q225 Y226 N229 V231 | V88-V90 WeakPolarHBondContact CG1-O 3.13Å; V90-Q225 HydrophobicContact CG1-CB 4.14Å; V90-Y226 HydrophobicContact CB-CD1 4.28Å; V90-Y226 HydrophobicContact CB-CD2 4.21Å; V90-Y226 HydrophobicContact CB-CE1 4.16Å; V90-Y226 HydrophobicContact CB-CE2 4.11Å; V90-Y226 HydrophobicContact CB-CG 4.3Å; V90-Y226 HydrophobicContact CG2-CD1 3.46Å; V90-Y226 VanDerWaalsContact CG2-CD1 3.46Å; V90-Y226 HydrophobicContact CG2-CD2 4.26Å; V90-Y226 HydrophobicContact CG2-CE1 3.38Å; V90-Y226 HydrophobicContact CG2-CE2 4.23Å; V90-Y226 HydrophobicContact CG2-CG 3.91Å; V90-N229 HydrophobicContact CG1-CB 4.04Å; V90-N229 WeakPolarHBondContact CG1-ND2 3.35Å; V90-V231 HydrophobicContact CG2-CB 4.32Å; V90-V231 HydrophobicContact CG2-CG1 4.41Å; V90-V231 HydrophobicContact CG2-CG2 4.02Å |
| 91 | G | 95 | Very high | 96.8 | Very high | 16 Ų | 16 | 29.8 Ų | 29.8 | 17% | 0.165 | 16% | 0.16 | C | C | . | . | trans | 72.9 | 30.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | T93 N94 A97 Y226 | G91-T93 PolarHBondContact O-N 3.05Å; G91-N94 PolarHBondContact O-N 3.01Å; G91-N94 PolarHBondContact O-ND2 3.49Å; G91-N94 PolarHBondContact O-OD1 2.96Å; G91-A97 WeakPolarHBondContact O-CB 3.38Å; G91-Y226 WeakPolarHBondContact CA-OH 3.42Å | ||
| 92 | L | 97.1 | Very high | 96.9 | Very high | 34 Ų | 34 | 25.5 Ų | 25.5 | 18% | 0.178 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | 5.7 | -174.9 | -56.5 | -175.3 | 0 | 0 | 0 | 116.1 | A80 L83 P84 V88 | A80-L92 HydrophobicContact CB-CB 4.01Å; A80-L92 VanDerWaalsContact CB-O 3.31Å; A80-L92 WeakPolarHBondContact CB-O 3.46Å; A80-L92 WeakPolarHBondContact O-CD2 3.49Å; L83-L92 HydrophobicContact CB-CD2 4.2Å; L83-L92 HydrophobicContact CD1-CD2 4.41Å; P84-L92 HydrophobicContact CG-CD1 4.41Å; P84-L92 HydrophobicContact CG-CD2 4.41Å; V88-L92 HydrophobicContact CG1-CD2 4.47Å |
| 93 | T | 96.7 | Very high | 97 | Very high | 51 Ų | 51 | 24.8 Ų | 24.8 | 31% | 0.313 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -127 | 4.4 | -177.3 | 60.3 | 0 | 0 | 0 | 0 | 113.2 | R58 G91 K158 | R58-T93 VanDerWaalsContact C-CG2 3.49Å; G91-T93 PolarHBondContact O-N 3.05Å; T93-K158 WeakPolarHBondContact O-CD 3.35Å; T93-K158 WeakPolarHBondContact O-CE 3.34Å; T93-K158 PolarHBondContact O-NZ 3.48Å |
| 94 | N | 96.9 | Very high | 97 | Very high | 22 Ų | 22 | 24.8 Ų | 24.8 | 12% | 0.118 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -86 | -179.6 | 178.9 | 68.8 | 12.1 | 0 | 0 | 0 | 112 | G91 A96 A97 A98 V204 Y240 | G91-N94 PolarHBondContact O-N 3.01Å; G91-N94 PolarHBondContact O-ND2 3.49Å; G91-N94 PolarHBondContact O-OD1 2.96Å; N94-A96 PolarHBondContact OD1-N 2.91Å; N94-A97 WeakPolarHBondContact OD1-CB 3.36Å; N94-A97 PolarHBondContact OD1-N 2.98Å; N94-A98 PolarHBondContact O-N 3.29Å; N94-V204 HydrophobicContact CB-CG2 4.33Å; N94-Y240 PolarHBondContact ND2-OH 3.5Å; N94-Y240 PolarHBondContact OD1-OH 3.2Å |
| 95 | Y | 97.8 | Very high | 97.1 | Very high | 13 Ų | 13 | 22.2 Ų | 22.2 | 5% | 0.051 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.7 | -43.6 | -179.8 | -169.8 | -87.2 | 0 | 0 | 0 | 112 | A97 A98 Y99 G161 P181 H195 H198 I199 | Y95-A97 PolarHBondContact O-N 3.37Å; Y95-A98 WeakPolarHBondContact O-CA 3.48Å; Y95-A98 WeakPolarHBondContact O-CB 3.49Å; Y95-A98 PolarHBondContact O-N 3.24Å; Y95-Y99 PolarHBondContact O-N 2.92Å; Y95-G161 WeakPolarHBondContact OH-CA 3.36Å; Y95-G161 PolarHBondContact OH-N 3.43Å; Y95-P181 HydrophobicContact CD2-CG 4.3Å; Y95-P181 HydrophobicContact CE1-CG 4.21Å; Y95-P181 HydrophobicContact CE2-CG 3.7Å; Y95-P181 WeakPolarHBondContact OH-CD 3.44Å; Y95-H195 AromaticContact CE1-NE2 3.92Å; Y95-H195 AromaticContact CZ-NE2 3.76Å; Y95-H195 PolarHBondContact OH-CD2 3.04Å; Y95-H195 PolarHBondContact OH-NE2 3.31Å; Y95-H198 HydrophobicContact CD1-CB 3.73Å; Y95-H198 HydrophobicContact CE1-CB 4.06Å; Y95-H198 HydrophobicContact CG-CB 4.23Å; Y95-I199 HydrophobicContact CE1-CG1 3.99Å |
| 96 | A | 97.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.008 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -58 | -45.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | N94 A98 Y99 C100 I199 Y240 | N94-A96 PolarHBondContact OD1-N 2.91Å; A96-A98 VanDerWaalsContact C-N 3.32Å; A96-A98 PolarHBondContact O-N 3.23Å; A96-Y99 WeakPolarHBondContact O-CB 3.47Å; A96-Y99 PolarHBondContact O-N 2.88Å; A96-C100 PolarHBondContact O-N 2.63Å; A96-C100 PolarHBondContact O-SG 2.86Å; A96-I199 WeakPolarHBondContact CB-O 3.45Å; A96-Y240 HydrophobicContact CB-CD1 3.88Å; A96-Y240 HydrophobicContact CB-CD2 3.97Å; A96-Y240 HydrophobicContact CB-CE1 3.5Å; A96-Y240 VanDerWaalsContact CB-CE1 3.5Å; A96-Y240 HydrophobicContact CB-CE2 3.6Å; A96-Y240 HydrophobicContact CB-CG 4.11Å |
| 97 | A | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.7 | -38.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | I60 L83 G91 N94 Y95 C100 T101 | I60-A97 HydrophobicContact CD1-CB 4.23Å; L83-A97 HydrophobicContact CD1-CB 3.9Å; G91-A97 WeakPolarHBondContact O-CB 3.38Å; N94-A97 WeakPolarHBondContact OD1-CB 3.36Å; N94-A97 PolarHBondContact OD1-N 2.98Å; Y95-A97 PolarHBondContact O-N 3.37Å; A97-C100 PolarHBondContact O-N 2.77Å; A97-T101 WeakPolarHBondContact O-CG2 3.45Å; A97-T101 PolarHBondContact O-N 3.46Å; A97-T101 PolarHBondContact O-OG1 2.7Å |
| 98 | A | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -60.4 | -46.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | I60 N94 Y95 A96 T101 G102 K158 A162 | I60-A98 HydrophobicContact CD1-CB 3.72Å; I60-A98 HydrophobicContact CG2-CB 4.45Å; N94-A98 PolarHBondContact O-N 3.29Å; Y95-A98 WeakPolarHBondContact O-CA 3.48Å; Y95-A98 WeakPolarHBondContact O-CB 3.49Å; Y95-A98 PolarHBondContact O-N 3.24Å; A96-A98 VanDerWaalsContact C-N 3.32Å; A96-A98 PolarHBondContact O-N 3.23Å; A98-T101 PolarHBondContact O-N 3.42Å; A98-T101 PolarHBondContact O-OG1 2.9Å; A98-G102 PolarHBondContact O-N 3.37Å; A98-K158 HydrophobicContact CB-CB 4.12Å; A98-K158 VanDerWaalsContact CB-O 3.27Å; A98-K158 WeakPolarHBondContact CB-O 3.27Å; A98-A162 HydrophobicContact CB-CB 4.28Å; A98-A162 VanDerWaalsContact O-CA 3.26Å; A98-A162 WeakPolarHBondContact O-CA 3.44Å |
| 99 | Y | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 14.5 Ų | 14.5 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -55.9 | -52.1 | 174.3 | 178.5 | -85.2 | 0 | 0 | 0 | 111.9 | Y95 A96 T101 G102 L103 V125 G161 K164 G165 D168 I199 H244 | Y95-Y99 PolarHBondContact O-N 2.92Å; A96-Y99 WeakPolarHBondContact O-CB 3.47Å; A96-Y99 PolarHBondContact O-N 2.88Å; Y99-T101 VanDerWaalsContact C-N 3.3Å; Y99-T101 PolarHBondContact O-N 3.49Å; Y99-G102 PolarHBondContact O-N 3.07Å; Y99-G102 VanDerWaalsContact O-N 3.09Å; Y99-L103 HydrophobicContact CE1-CD2 4.44Å; Y99-L103 PolarHBondContact O-N 3.46Å; Y99-V125 HydrophobicContact CE1-CG2 4.47Å; Y99-V125 VanDerWaalsContact OH-CG2 3.28Å; Y99-V125 WeakPolarHBondContact OH-CG2 3.4Å; Y99-G161 VanDerWaalsContact CA-O 3.28Å; Y99-G161 WeakPolarHBondContact CA-O 3.26Å; Y99-K164 HydrophobicContact CD2-CB 4.22Å; Y99-K164 HydrophobicContact CD2-CG 4.11Å; Y99-K164 HydrophobicContact CE2-CB 4.43Å; Y99-K164 HydrophobicContact CE2-CG 3.9Å; Y99-G165 VanDerWaalsContact CD2-N 3.31Å; Y99-D168 HydrophobicContact CE2-CB 4.38Å; Y99-D168 WeakPolarHBondContact CE2-OD2 3.41Å; Y99-D168 WeakPolarHBondContact OH-CB 3.16Å; Y99-D168 PolarHBondContact OH-OD2 3.22Å; Y99-D168 VanDerWaalsContact OH-OD2 3.13Å; Y99-I199 HydrophobicContact CD1-CG2 3.52Å; Y99-I199 HydrophobicContact CD2-CB 4.43Å; Y99-I199 HydrophobicContact CD2-CD1 4.04Å; Y99-I199 HydrophobicContact CD2-CG1 3.87Å; Y99-I199 HydrophobicContact CD2-CG2 3.73Å; Y99-I199 HydrophobicContact CE1-CG2 3.67Å; Y99-I199 HydrophobicContact CE2-CD1 3.93Å; Y99-I199 HydrophobicContact CE2-CG1 4.23Å; Y99-I199 HydrophobicContact CE2-CG2 3.86Å; Y99-I199 HydrophobicContact CG-CB 4.48Å; Y99-I199 HydrophobicContact CG-CG1 4.32Å; Y99-I199 HydrophobicContact CG-CG2 3.56Å; Y99-H244 AromaticContact CD1-CE1 3.82Å; Y99-H244 AromaticContact CD1-NE2 3.39Å; Y99-H244 WeakPolarHBondContact CD1-NE2 3.39Å; Y99-H244 AromaticContact CE1-CD2 3.94Å; Y99-H244 AromaticContact CE1-CE1 3.55Å; Y99-H244 AromaticContact CE1-NE2 3.44Å; Y99-H244 WeakPolarHBondContact CE1-NE2 3.37Å |
| 100 | C | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 8.4 Ų | 8.4 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -59 | -39.6 | 178.1 | -54.9 | 0 | 0 | 0 | 0 | 112.5 | L83 A96 A97 G102 L103 L104 H244 I247 | L83-C100 HydrophobicContact CD1-CB 3.95Å; L83-C100 HydrophobicContact CD2-CB 3.58Å; L83-C100 HydrophobicContact CG-CB 4.43Å; A96-C100 PolarHBondContact O-N 2.63Å; A96-C100 PolarHBondContact O-SG 2.86Å; A97-C100 PolarHBondContact O-N 2.77Å; C100-G102 PolarHBondContact O-N 3.49Å; C100-L103 PolarHBondContact O-N 3.01Å; C100-L104 WeakPolarHBondContact O-CB 3.38Å; C100-L104 PolarHBondContact O-N 3.32Å; C100-H244 PolarHBondContact SG-NE2 3.07Å; C100-H244 VanDerWaalsContact SG-NE2 3.36Å; C100-I247 HydrophobicContact CB-CD1 4Å |
| 101 | T | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -66.3 | -35.4 | 176.4 | 58.5 | 0 | 0 | 0 | 0 | 113.4 | I60 C62 A80 L83 A97 A98 Y99 L105 | I60-T101 HydrophobicContact CB-CG2 4.38Å; C62-T101 PolarHBondContact SG-OG1 3.21Å; A80-T101 HydrophobicContact CB-CG2 3.66Å; L83-T101 HydrophobicContact CD1-CG2 3.94Å; L83-T101 HydrophobicContact CD2-CG2 4.4Å; L83-T101 HydrophobicContact CG-CG2 4.2Å; A97-T101 WeakPolarHBondContact O-CG2 3.45Å; A97-T101 PolarHBondContact O-N 3.46Å; A97-T101 PolarHBondContact O-OG1 2.7Å; A98-T101 PolarHBondContact O-N 3.42Å; A98-T101 PolarHBondContact O-OG1 2.9Å; Y99-T101 VanDerWaalsContact C-N 3.3Å; Y99-T101 PolarHBondContact O-N 3.49Å; T101-L105 WeakPolarHBondContact O-CB 3.27Å; T101-L105 PolarHBondContact O-N 3.37Å |
| 102 | G | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -65.3 | -45.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A98 Y99 C100 L104 L105 A106 A162 A166 | A98-G102 PolarHBondContact O-N 3.37Å; Y99-G102 PolarHBondContact O-N 3.07Å; Y99-G102 VanDerWaalsContact O-N 3.09Å; C100-G102 PolarHBondContact O-N 3.49Å; G102-L104 PolarHBondContact O-N 3.23Å; G102-L105 WeakPolarHBondContact O-CB 3.46Å; G102-L105 PolarHBondContact O-N 2.6Å; G102-A106 WeakPolarHBondContact O-CB 3.43Å; G102-A106 PolarHBondContact O-N 3.12Å; G102-A162 WeakPolarHBondContact CA-O 3.46Å; G102-A166 WeakPolarHBondContact O-CA 3.49Å |
| 103 | L | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -59.7 | -46.3 | 176.1 | 176.9 | 64.7 | 0 | 0 | 0 | 111.9 | Y99 C100 L105 A106 R107 G165 H244 I247 | Y99-L103 HydrophobicContact CE1-CD2 4.44Å; Y99-L103 PolarHBondContact O-N 3.46Å; C100-L103 PolarHBondContact O-N 3.01Å; L103-L105 PolarHBondContact O-N 3.03Å; L103-A106 PolarHBondContact O-N 2.94Å; L103-R107 HydrophobicContact CD1-CG 4.08Å; L103-R107 WeakPolarHBondContact O-CG 3.17Å; L103-R107 PolarHBondContact O-N 3.35Å; L103-G165 WeakPolarHBondContact CA-O 3.35Å; L103-G165 PolarHBondContact N-O 3.31Å; L103-H244 HydrophobicContact CD2-CB 4.06Å; L103-I247 HydrophobicContact CD2-CB 4.38Å; L103-I247 HydrophobicContact CD2-CD1 4.41Å; L103-I247 HydrophobicContact CD2-CG2 4.14Å; L103-I247 HydrophobicContact CG-CG2 3.89Å |
| 104 | L | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.3 | -43.6 | 177.1 | 178.7 | 60.1 | 0 | 0 | 0 | 111.9 | A78 E82 Y86 C100 G102 A106 R108 I247 P251 | A78-L104 HydrophobicContact CB-CB 4.28Å; A78-L104 HydrophobicContact CB-CD2 4.1Å; A78-L104 HydrophobicContact CB-CG 4.01Å; E82-L104 HydrophobicContact CB-CD2 4.24Å; Y86-L104 HydrophobicContact CD2-CD2 4.47Å; Y86-L104 HydrophobicContact CE2-CD1 3.79Å; Y86-L104 HydrophobicContact CE2-CD2 3.79Å; Y86-L104 HydrophobicContact CE2-CG 4.44Å; Y86-L104 WeakPolarHBondContact OH-CD1 3.36Å; C100-L104 WeakPolarHBondContact O-CB 3.38Å; C100-L104 PolarHBondContact O-N 3.32Å; G102-L104 PolarHBondContact O-N 3.23Å; L104-A106 VanDerWaalsContact C-N 3.33Å; L104-A106 PolarHBondContact O-N 3.23Å; L104-R108 WeakPolarHBondContact O-CB 3.16Å; L104-R108 PolarHBondContact O-N 2.95Å; L104-I247 HydrophobicContact CB-CD1 4.4Å; L104-I247 HydrophobicContact CB-CG2 3.98Å; L104-I247 HydrophobicContact CD1-CG2 3.99Å; L104-P251 HydrophobicContact CD1-CB 4.49Å |
| 105 | L | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59.1 | -46.2 | 176.6 | 177.9 | 67.5 | 0 | 0 | 0 | 111.5 | M51 C62 I64 C76 A78 T101 G102 L103 L109 | M51-L105 HydrophobicContact CE-CD2 3.96Å; M51-L105 HydrophobicContact CG-CD2 4.11Å; C62-L105 HydrophobicContact CB-CB 4.31Å; C62-L105 HydrophobicContact CB-CD2 3.72Å; I64-L105 HydrophobicContact CD1-CD1 4.48Å; I64-L105 HydrophobicContact CD1-CD2 4.25Å; I64-L105 HydrophobicContact CD1-CG 4.13Å; I64-L105 HydrophobicContact CG1-CD1 4.15Å; I64-L105 HydrophobicContact CG1-CD2 3.83Å; I64-L105 HydrophobicContact CG1-CG 4.06Å; C76-L105 HydrophobicContact CB-CD1 3.92Å; A78-L105 HydrophobicContact CB-CB 3.89Å; A78-L105 HydrophobicContact CB-CD1 4.42Å; T101-L105 WeakPolarHBondContact O-CB 3.27Å; T101-L105 PolarHBondContact O-N 3.37Å; G102-L105 WeakPolarHBondContact O-CB 3.46Å; G102-L105 PolarHBondContact O-N 2.6Å; L103-L105 PolarHBondContact O-N 3.03Å; L105-L109 WeakPolarHBondContact O-CB 3.48Å; L105-L109 PolarHBondContact O-N 2.86Å |
| 106 | A | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.6 | -51.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | G102 L103 L104 R108 L109 L110 A166 G169 L171 | G102-A106 WeakPolarHBondContact O-CB 3.43Å; G102-A106 PolarHBondContact O-N 3.12Å; L103-A106 PolarHBondContact O-N 2.94Å; L104-A106 VanDerWaalsContact C-N 3.33Å; L104-A106 PolarHBondContact O-N 3.23Å; A106-R108 VanDerWaalsContact C-N 3.31Å; A106-R108 PolarHBondContact O-N 3.05Å; A106-L109 WeakPolarHBondContact O-CB 3.2Å; A106-L109 PolarHBondContact O-N 2.86Å; A106-L109 VanDerWaalsContact O-N 3.12Å; A106-L110 WeakPolarHBondContact O-CG 3.48Å; A106-L110 PolarHBondContact O-N 3.33Å; A106-A166 HydrophobicContact CB-CB 4.37Å; A106-A166 WeakPolarHBondContact CB-O 3.43Å; A106-G169 VanDerWaalsContact CB-O 3.29Å; A106-G169 WeakPolarHBondContact CB-O 3.42Å; A106-L171 HydrophobicContact CB-CD1 3.86Å; A106-L171 HydrophobicContact CB-CD2 4.33Å; A106-L171 HydrophobicContact CB-CG 3.63Å |
| 107 | R | 97.7 | Very high | 96.6 | Very high | 14 Ų | 14 | 31.1 Ų | 31.1 | 5% | 0.053 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -60.8 | -40 | 177.9 | -67.5 | -68.9 | 136.8 | -148.1 | -4.9 | 112 | L103 L109 L110 N111 D116 Y119 E120 G169 R248 P251 | L103-R107 HydrophobicContact CD1-CG 4.08Å; L103-R107 WeakPolarHBondContact O-CG 3.17Å; L103-R107 PolarHBondContact O-N 3.35Å; R107-L109 PolarHBondContact O-N 3.24Å; R107-L110 PolarHBondContact O-N 2.89Å; R107-N111 VanDerWaalsContact O-CB 3.24Å; R107-N111 WeakPolarHBondContact O-CB 3.37Å; R107-N111 PolarHBondContact O-N 2.92Å; R107-D116 PolarHBondContact NH1-O 2.94Å; R107-Y119 VanDerWaalsContact CZ-O 3.26Å; R107-Y119 PolarHBondContact NH1-O 3.1Å; R107-Y119 PolarHBondContact NH2-O 2.78Å; R107-E120 VanDerWaalsContact CZ-O 3.29Å; R107-E120 PolarHBondContact NH2-O 3.36Å; R107-G169 VanDerWaalsContact CZ-C 3.48Å; R107-G169 PolarHBondContact NE-O 2.86Å; R107-G169 PolarHBondContact NH2-O 3.23Å; R107-R248 HydrophobicContact CG-CG 4.39Å; R107-P251 HydrophobicContact CB-CB 3.65Å; R107-P251 HydrophobicContact CB-CG 4.16Å |
| 108 | R | 97.1 | Very high | 96.4 | Very high | 18 Ų | 18 | 33.1 Ų | 33.1 | 7% | 0.068 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.6 | -38.2 | 176.5 | -173.8 | 179.3 | -74.6 | 171.8 | -2.9 | 112.3 | C76 A77 E82 L104 A106 R112 P251 | C76-R108 WeakPolarHBondContact SG-CD 3.38Å; C76-R108 WeakPolarHBondContact SG-CG 3.43Å; A77-R108 PolarHBondContact O-NH1 3.02Å; E82-R108 IonicContact OE1-NH1 2.85Å; E82-R108 IonicContact OE2-CZ 2.94Å; E82-R108 VanDerWaalsContact OE2-CZ 3.23Å; E82-R108 IonicContact OE2-NH1 3.92Å; E82-R108 PolarHBondContact OE2-NH1 3.32Å; E82-R108 IonicContact OE2-NH2 2.78Å; E82-R108 PolarHBondContact OE2-NH2 3.36Å; L104-R108 WeakPolarHBondContact O-CB 3.16Å; L104-R108 PolarHBondContact O-N 2.95Å; A106-R108 VanDerWaalsContact C-N 3.31Å; A106-R108 PolarHBondContact O-N 3.05Å; R108-R112 WeakPolarHBondContact O-CB 3.29Å; R108-R112 PolarHBondContact O-N 3.09Å; R108-R112 VanDerWaalsContact O-N 3.15Å; R108-P251 HydrophobicContact CB-CB 4.29Å; R108-P251 WeakPolarHBondContact CB-O 3.44Å; R108-P251 WeakPolarHBondContact CG-O 3.36Å; R108-P251 PolarHBondContact NE-O 3.05Å |
| 109 | L | 96.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.4 | -48.8 | 176.3 | -172.6 | 81.6 | 0 | 0 | 0 | 111.4 | I64 V75 C76 L105 A106 R107 R112 F113 F142 L171 | I64-L109 HydrophobicContact CB-CD1 4.4Å; I64-L109 HydrophobicContact CD1-CB 4.17Å; I64-L109 HydrophobicContact CD1-CD1 3.87Å; I64-L109 HydrophobicContact CD1-CD2 3.25Å; I64-L109 HydrophobicContact CD1-CG 3.94Å; I64-L109 HydrophobicContact CG2-CD1 4.4Å; V75-L109 HydrophobicContact CB-CD1 4.23Å; V75-L109 HydrophobicContact CG1-CD1 3.58Å; C76-L109 HydrophobicContact CB-CB 4.37Å; C76-L109 HydrophobicContact CB-CD1 3.67Å; L105-L109 WeakPolarHBondContact O-CB 3.48Å; L105-L109 PolarHBondContact O-N 2.86Å; A106-L109 WeakPolarHBondContact O-CB 3.2Å; A106-L109 PolarHBondContact O-N 2.86Å; A106-L109 VanDerWaalsContact O-N 3.12Å; R107-L109 PolarHBondContact O-N 3.24Å; L109-R112 WeakPolarHBondContact O-CB 3.43Å; L109-R112 PolarHBondContact O-N 3.39Å; L109-F113 HydrophobicContact CD1-CD2 4.21Å; L109-F113 HydrophobicContact CD1-CE2 3.69Å; L109-F113 HydrophobicContact CG-CD2 4Å; L109-F113 HydrophobicContact CG-CE2 3.96Å; L109-F113 VanDerWaalsContact O-CD2 3.3Å; L109-F113 WeakPolarHBondContact O-CD2 3.18Å; L109-F113 PolarHBondContact O-N 2.77Å; L109-F113 VanDerWaalsContact O-N 3.17Å; L109-F142 HydrophobicContact CD1-CZ 4.48Å; L109-F142 HydrophobicContact CD2-CB 4.44Å; L109-F142 HydrophobicContact CD2-CD1 3.44Å; L109-F142 VanDerWaalsContact CD2-CD1 3.44Å; L109-F142 HydrophobicContact CD2-CD2 3.95Å; L109-F142 HydrophobicContact CD2-CE1 3.52Å; L109-F142 HydrophobicContact CD2-CE2 4.01Å; L109-F142 HydrophobicContact CD2-CG 3.66Å; L109-F142 HydrophobicContact CD2-CZ 3.8Å; L109-L171 HydrophobicContact CD2-CD1 4.29Å; L109-L171 HydrophobicContact CD2-CD2 3.51Å |
| 110 | L | 96.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65 | -41.3 | -178.3 | -67.8 | 177.6 | 0 | 0 | 0 | 111.5 | A106 R107 R112 F113 G114 M115 D116 Y119 F142 G169 L171 | A106-L110 WeakPolarHBondContact O-CG 3.48Å; A106-L110 PolarHBondContact O-N 3.33Å; R107-L110 PolarHBondContact O-N 2.89Å; L110-R112 VanDerWaalsContact C-N 3.32Å; L110-R112 PolarHBondContact O-N 2.76Å; L110-F113 CarbonylContact O-C 3.49Å; L110-F113 PolarHBondContact O-N 2.95Å; L110-F113 VanDerWaalsContact O-N 3.12Å; L110-G114 PolarHBondContact O-N 3.49Å; L110-M115 HydrophobicContact CD2-CB 3.92Å; L110-M115 HydrophobicContact CD2-CE 4.04Å; L110-M115 PolarHBondContact O-N 3.06Å; L110-D116 HydrophobicContact CB-CB 4.24Å; L110-Y119 WeakPolarHBondContact CD1-O 3.42Å; L110-F142 HydrophobicContact CD2-CB 4.32Å; L110-G169 VanDerWaalsContact CD1-O 3.25Å; L110-G169 WeakPolarHBondContact CD1-O 3.42Å; L110-L171 HydrophobicContact CD2-CD2 4.15Å; L110-L171 HydrophobicContact CG-CD2 4.18Å |
| 111 | N | 95.3 | Very high | 95.8 | Very high | 64 Ų | 64 | 39.6 Ų | 39.6 | 34% | 0.342 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -58.4 | -44.4 | 172.6 | -178.2 | -30.2 | 0 | 0 | 0 | 110.8 | R107 F113 G114 P251 | R107-N111 VanDerWaalsContact O-CB 3.24Å; R107-N111 WeakPolarHBondContact O-CB 3.37Å; R107-N111 PolarHBondContact O-N 2.92Å; N111-F113 PolarHBondContact O-N 2.82Å; N111-G114 PolarHBondContact O-N 3.14Å; N111-G114 VanDerWaalsContact O-N 3.11Å; N111-P251 HydrophobicContact CB-CG 4.09Å |
| 112 | R | 94.1 | Very high | 95.6 | Very high | 168 Ų | 168 | 42.2 Ų | 42.2 | 63% | 0.634 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -59.5 | -30.7 | 176.8 | -178.7 | 176 | -179.7 | 173 | 3.4 | 113.6 | V75 R108 L109 L110 | V75-R112 PolarHBondContact O-NH1 3.3Å; R108-R112 WeakPolarHBondContact O-CB 3.29Å; R108-R112 PolarHBondContact O-N 3.09Å; R108-R112 VanDerWaalsContact O-N 3.15Å; L109-R112 WeakPolarHBondContact O-CB 3.43Å; L109-R112 PolarHBondContact O-N 3.39Å; L110-R112 VanDerWaalsContact C-N 3.32Å; L110-R112 PolarHBondContact O-N 2.76Å |
| 113 | F | 94.3 | Very high | 95.2 | Very high | 89 Ų | 89 | 46.4 Ų | 46.4 | 39% | 0.39 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -100.9 | 3.3 | 178.7 | -70 | -66.2 | 0 | 0 | 0 | 113.9 | V75 L109 L110 N111 M115 F142 | V75-F113 HydrophobicContact CG1-CE2 3.9Å; V75-F113 HydrophobicContact CG1-CZ 3.87Å; L109-F113 HydrophobicContact CD1-CD2 4.21Å; L109-F113 HydrophobicContact CD1-CE2 3.69Å; L109-F113 HydrophobicContact CG-CD2 4Å; L109-F113 HydrophobicContact CG-CE2 3.96Å; L109-F113 VanDerWaalsContact O-CD2 3.3Å; L109-F113 WeakPolarHBondContact O-CD2 3.18Å; L109-F113 PolarHBondContact O-N 2.77Å; L109-F113 VanDerWaalsContact O-N 3.17Å; L110-F113 CarbonylContact O-C 3.49Å; L110-F113 PolarHBondContact O-N 2.95Å; L110-F113 VanDerWaalsContact O-N 3.12Å; N111-F113 PolarHBondContact O-N 2.82Å; F113-M115 VanDerWaalsContact C-N 3.3Å; F113-M115 HydrophobicContact CB-CE 3.86Å; F113-M115 HydrophobicContact CB-CG 4.41Å; F113-M115 HydrophobicContact CG-CE 4.45Å; F113-M115 PolarHBondContact O-N 3.42Å; F113-F142 HydrophobicContact CD2-CD2 4.18Å; F113-F142 HydrophobicContact CD2-CE2 4.04Å; F113-F142 HydrophobicContact CE2-CD2 4.15Å; F113-F142 AromaticContact CE2-CE2 3.54Å; F113-F142 HydrophobicContact CE2-CE2 3.54Å; F113-F142 HydrophobicContact CE2-CZ 4.31Å; F113-F142 HydrophobicContact CZ-CE2 4.14Å |
| 114 | G | 93.9 | Very high | 95 | Very high | 52 Ų | 52 | 53.5 Ų | 53.5 | 54% | 0.536 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.9 | 28.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | L110 N111 | L110-G114 PolarHBondContact O-N 3.49Å; N111-G114 PolarHBondContact O-N 3.14Å; N111-G114 VanDerWaalsContact O-N 3.11Å |
| 115 | M | 94.2 | Very high | 94.7 | Very high | 21 Ų | 21 | 54.2 Ų | 54.2 | 10% | 0.103 | 27% | 0.27 | C | S | . | . | trans | -111 | 8.3 | -179.4 | -65.6 | -168.9 | -64 | 0 | 0 | 113 | L110 F113 K117 I118 Y119 P139 F142 | L110-M115 HydrophobicContact CD2-CB 3.92Å; L110-M115 HydrophobicContact CD2-CE 4.04Å; L110-M115 PolarHBondContact O-N 3.06Å; F113-M115 VanDerWaalsContact C-N 3.3Å; F113-M115 HydrophobicContact CB-CE 3.86Å; F113-M115 HydrophobicContact CB-CG 4.41Å; F113-M115 HydrophobicContact CG-CE 4.45Å; F113-M115 PolarHBondContact O-N 3.42Å; M115-K117 PolarHBondContact O-N 3.4Å; M115-I118 PolarHBondContact O-N 2.93Å; M115-Y119 HydrophobicContact CB-CD2 4.31Å; M115-Y119 PolarHBondContact O-N 3.29Å; M115-P139 HydrophobicContact SD-CB 4.39Å; M115-F142 HydrophobicContact CE-CB 3.93Å; M115-F142 HydrophobicContact CE-CD2 4.01Å; M115-F142 HydrophobicContact CE-CG 4.47Å | ||
| 116 | D | 92 | Very high | 94.5 | Very high | 57 Ų | 57 | 57.1 Ų | 57.1 | 31% | 0.305 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -38.4 | -177.9 | 56.6 | -42.6 | 0 | 0 | 0 | 113.1 | R107 L110 | R107-D116 PolarHBondContact NH1-O 2.94Å; L110-D116 HydrophobicContact CB-CB 4.24Å |
| 117 | K | 93.6 | Very high | 94.2 | Very high | 170 Ų | 170 | 57.1 Ų | 57.1 | 74% | 0.739 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -26.7 | 176.2 | -61.8 | -175.7 | -179.9 | -177.8 | 0 | 113.9 | M115 | M115-K117 PolarHBondContact O-N 3.4Š|
| 118 | I | 94.7 | Very high | 94 | Very high | 43 Ų | 43 | 60.6 Ų | 60.6 | 22% | 0.221 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -44.2 | -179.7 | -58.7 | 174.3 | 0 | 0 | 0 | 109.3 | M115 I135 Q138 | M115-I118 PolarHBondContact O-N 2.93Å; I118-I135 HydrophobicContact CG2-CD1 4.14Å; I118-I135 WeakPolarHBondContact O-CD1 3.17Å; I118-Q138 HydrophobicContact CG2-CB 3.85Å; I118-Q138 HydrophobicContact CG2-CG 4.02Å |
| 119 | Y | 95.4 | Very high | 93.8 | Very high | 7 Ų | 7 | 64.3 Ų | 64.3 | 3% | 0.027 | 33% | 0.325 | C | S | . | . | trans | -114.9 | 71.6 | -176.8 | -64.1 | -66.6 | 0 | 0 | 0 | 110.7 | R107 L110 M115 G121 V132 E133 I135 P139 A141 | R107-Y119 VanDerWaalsContact CZ-O 3.26Å; R107-Y119 PolarHBondContact NH1-O 3.1Å; R107-Y119 PolarHBondContact NH2-O 2.78Å; L110-Y119 WeakPolarHBondContact CD1-O 3.42Å; M115-Y119 HydrophobicContact CB-CD2 4.31Å; M115-Y119 PolarHBondContact O-N 3.29Å; Y119-G121 PolarHBondContact O-N 3.39Å; Y119-V132 HydrophobicContact CD1-CG1 3.64Å; Y119-V132 HydrophobicContact CE1-CG1 4.12Å; Y119-V132 HydrophobicContact CG-CG1 4.38Å; Y119-E133 WeakPolarHBondContact CE1-O 3.48Å; Y119-I135 HydrophobicContact CD1-CD1 4.47Å; Y119-I135 HydrophobicContact CE1-CD1 4.1Å; Y119-I135 HydrophobicContact CE1-CG1 4.13Å; Y119-I135 PolarHBondContact OH-N 2.81Å; Y119-P139 WeakPolarHBondContact CE2-O 3.04Å; Y119-P139 PolarHBondContact OH-O 3.46Å; Y119-A141 HydrophobicContact CD1-CB 4.27Å; Y119-A141 HydrophobicContact CE1-CB 3.76Å; Y119-A141 HydrophobicContact CE2-CB 4.13Å; Y119-A141 VanDerWaalsContact CZ-CA 3.49Å; Y119-A141 PolarHBondContact OH-N 2.75Å | ||
| 120 | E | 93.6 | Very high | 93.6 | Very high | 116 Ų | 116 | 67.2 Ų | 67.2 | 54% | 0.542 | 34% | 0.337 | S | S | . | . | trans | -65 | -16.2 | 176.7 | -62.3 | -169.7 | 166.2 | 0 | 0 | 113.5 | R107 | R107-E120 VanDerWaalsContact CZ-O 3.29Å; R107-E120 PolarHBondContact NH2-O 3.36Å | ||
| 121 | G | 93.4 | Very high | 93.4 | Very high | 13 Ų | 13 | 70.5 Ų | 70.5 | 13% | 0.134 | 35% | 0.354 | C | S | . | . | trans | 65.6 | -160.6 | 180 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y119 V123 Y130 D168 | Y119-G121 PolarHBondContact O-N 3.39Å; G121-V123 PolarHBondContact O-N 3.29Å; G121-Y130 WeakPolarHBondContact CA-OH 3.44Å; G121-D168 CarbonylContact C-O 3.46Å; G121-D168 WeakPolarHBondContact CA-O 3.25Å | ||
| 122 | Q | 93.1 | Very high | 93.3 | Very high | 55 Ų | 55 | 67.7 Ų | 67.7 | 26% | 0.257 | 34% | 0.34 | S | S | . | . | trans | -82.4 | 104.8 | 177.9 | -172.7 | 70.2 | -16.1 | 0 | 0 | 109.8 | E124 Y130 D168 R248 | Q122-E124 WeakPolarHBondContact CG-O 3.25Å; Q122-E124 PolarHBondContact NE2-O 2.83Å; Q122-Y130 HydrophobicContact CB-CD1 3.84Å; Q122-Y130 HydrophobicContact CB-CD2 4.41Å; Q122-Y130 HydrophobicContact CB-CE1 4.04Å; Q122-Y130 HydrophobicContact CB-CG 4.05Å; Q122-D168 HydrophobicContact CB-CB 4.16Å; Q122-D168 PolarHBondContact N-O 3.36Å; Q122-D168 VanDerWaalsContact N-O 3.08Å; Q122-R248 PolarHBondContact O-NH2 3.15Å | ||
| 123 | V | 91.6 | Very high | 93.3 | Very high | 87 Ų | 87 | 67.3 Ų | 67.3 | 53% | 0.527 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -69.4 | -46.1 | 179.7 | -178.8 | 0 | 0 | 0 | 0 | 110.6 | G121 | G121-V123 PolarHBondContact O-N 3.29Š|
| 124 | E | 92.3 | Very high | 93.3 | Very high | 149 Ų | 149 | 66.6 Ų | 66.6 | 70% | 0.696 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -89.5 | 112.9 | 177.2 | -64.7 | -163.9 | 161.1 | 0 | 0 | 111.6 | Q122 T126 | Q122-E124 WeakPolarHBondContact CG-O 3.25Å; Q122-E124 PolarHBondContact NE2-O 2.83Å; E124-T126 PolarHBondContact O-N 3.1Å |
| 125 | V | 92.9 | Very high | 93.3 | Very high | 16 Ų | 16 | 68.2 Ų | 68.2 | 10% | 0.097 | 35% | 0.347 | C | S | . | . | trans | -76.8 | 90.9 | -177.3 | -174.8 | 0 | 0 | 0 | 0 | 110.3 | Y99 R196 I199 M200 | Y99-V125 HydrophobicContact CE1-CG2 4.47Å; Y99-V125 VanDerWaalsContact OH-CG2 3.28Å; Y99-V125 WeakPolarHBondContact OH-CG2 3.4Å; V125-R196 PolarHBondContact O-NE 3.22Å; V125-I199 HydrophobicContact CG1-CB 4.32Å; V125-I199 HydrophobicContact CG1-CD1 3.96Å; V125-I199 HydrophobicContact CG1-CG2 3.67Å; V125-M200 HydrophobicContact CB-CE 3.69Å; V125-M200 HydrophobicContact CG1-CE 3.97Å; V125-M200 HydrophobicContact CG2-CE 4.38Å | ||
| 126 | T | 92.8 | Very high | 93.2 | Very high | 61 Ų | 61 | 75 Ų | 75 | 37% | 0.374 | 38% | 0.383 | S | S | . | . | trans | -85.4 | -21 | 177.1 | 56.5 | 0 | 0 | 0 | 0 | 113.2 | E124 D128 | E124-T126 PolarHBondContact O-N 3.1Å; T126-D128 PolarHBondContact O-N 3.07Å; T126-D128 PolarHBondContact OG1-N 3.5Å | ||
| 127 | G | 91.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 41% | 0.411 | C | S | . | . | trans | 82.3 | -4.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114 | F190 H195 | G127-F190 WeakPolarHBondContact O-CZ 3.34Å; G127-H195 PolarHBondContact O-ND1 3.5Å | ||
| 128 | D | 93.7 | Very high | 93.2 | Very high | 86 Ų | 86 | 73 Ų | 73 | 46% | 0.46 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -74.2 | 169.3 | -176.7 | -152.3 | -6.7 | 0 | 0 | 0 | 112.9 | T126 Y130 K164 A192 | T126-D128 PolarHBondContact O-N 3.07Å; T126-D128 PolarHBondContact OG1-N 3.5Å; D128-Y130 PolarHBondContact O-N 2.94Å; D128-K164 VanDerWaalsContact O-CE 3.3Å; D128-K164 WeakPolarHBondContact O-CE 3.42Å; D128-K164 PolarHBondContact O-NZ 3.04Å; D128-A192 HydrophobicContact CB-CB 4.09Å |
| 129 | E | 92.9 | Very high | 93.1 | Very high | 96 Ų | 96 | 74.5 Ų | 74.5 | 45% | 0.449 | 41% | 0.411 | S | S | . | . | trans | -60.6 | 127.1 | 169.9 | -172.6 | 163.3 | -166.9 | 0 | 0 | 110.2 | N131 T177 | E129-N131 PolarHBondContact OE1-ND2 3.12Å; E129-T177 HydrophobicContact CB-CG2 3.73Å; E129-T177 HydrophobicContact CG-CG2 3.93Å; E129-T177 WeakPolarHBondContact OE2-CG2 3.33Å | ||
| 130 | Y | 93.2 | Very high | 93.1 | Very high | 61 Ų | 61 | 76.4 Ų | 76.4 | 24% | 0.239 | 43% | 0.432 | C | S | . | . | trans | -144.4 | 126.3 | 176.1 | 175.4 | -108.1 | 0 | 0 | 0 | 107.4 | G121 Q122 D128 V132 V167 | G121-Y130 WeakPolarHBondContact CA-OH 3.44Å; Q122-Y130 HydrophobicContact CB-CD1 3.84Å; Q122-Y130 HydrophobicContact CB-CD2 4.41Å; Q122-Y130 HydrophobicContact CB-CE1 4.04Å; Q122-Y130 HydrophobicContact CB-CG 4.05Å; D128-Y130 PolarHBondContact O-N 2.94Å; Y130-V132 HydrophobicContact CD1-CG2 4.4Å; Y130-V132 HydrophobicContact CE1-CG2 3.58Å; Y130-V167 HydrophobicContact CD1-CG1 4.05Å; Y130-V167 WeakPolarHBondContact O-CG1 3.5Å | ||
| 131 | N | 93.6 | Very high | 93.2 | Very high | 69 Ų | 69 | 71.1 Ų | 71.1 | 37% | 0.369 | 41% | 0.408 | S | S | . | . | trans | -123 | 131.3 | 176.3 | -69.5 | -56.1 | 0 | 0 | 0 | 108.1 | E129 E133 H175 | E129-N131 PolarHBondContact OE1-ND2 3.12Å; N131-E133 PolarHBondContact O-N 2.93Å; N131-H175 PolarHBondContact OD1-CE1 2.85Å; N131-H175 PolarHBondContact OD1-ND1 3.11Å | ||
| 132 | V | 93.2 | Very high | 93.4 | Very high | 6 Ų | 6 | 71.4 Ų | 71.4 | 4% | 0.036 | 41% | 0.406 | C | S | . | . | trans | -79.9 | 111.2 | 179.5 | -177.2 | 0 | 0 | 0 | 0 | 108.8 | Y119 Y130 A141 V167 S172 | Y119-V132 HydrophobicContact CD1-CG1 3.64Å; Y119-V132 HydrophobicContact CE1-CG1 4.12Å; Y119-V132 HydrophobicContact CG-CG1 4.38Å; Y130-V132 HydrophobicContact CD1-CG2 4.4Å; Y130-V132 HydrophobicContact CE1-CG2 3.58Å; V132-A141 HydrophobicContact CG1-CB 3.84Å; V132-V167 HydrophobicContact CG2-CG1 4.17Å; V132-V167 WeakPolarHBondContact CG2-O 3.45Å; V132-S172 PolarHBondContact O-OG 3.17Å | ||
| 133 | E | 93.5 | Very high | 93.6 | Very high | 160 Ų | 160 | 71.6 Ų | 71.6 | 75% | 0.748 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -87.8 | 155.3 | 174.2 | -62.3 | -174.3 | 168 | 0 | 0 | 110.9 | Y119 N131 | Y119-E133 WeakPolarHBondContact CE1-O 3.48Å; N131-E133 PolarHBondContact O-N 2.93Å |
| 134 | S | 93.9 | Very high | 93.9 | Very high | 74 Ų | 74 | 67.5 Ų | 67.5 | 52% | 0.517 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -78.1 | 143.2 | 173.2 | -63.3 | 0 | 0 | 0 | 0 | 109.6 | A141 | S134-A141 PolarHBondContact OG-N 3.49Å; S134-A141 VanDerWaalsContact OG-N 3.13Å |
| 135 | I | 93.4 | Very high | 94.1 | Very high | 86 Ų | 86 | 64.2 Ų | 64.2 | 44% | 0.441 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -98.4 | 130.8 | -178.5 | -61 | 167.7 | 0 | 0 | 0 | 107.4 | I118 Y119 G137 Q138 | I118-I135 HydrophobicContact CG2-CD1 4.14Å; I118-I135 WeakPolarHBondContact O-CD1 3.17Å; Y119-I135 HydrophobicContact CD1-CD1 4.47Å; Y119-I135 HydrophobicContact CE1-CD1 4.1Å; Y119-I135 HydrophobicContact CE1-CG1 4.13Å; Y119-I135 PolarHBondContact OH-N 2.81Å; I135-G137 PolarHBondContact O-N 3.39Å; I135-Q138 HydrophobicContact CB-CB 4.22Å; I135-Q138 HydrophobicContact CB-CG 4.25Å; I135-Q138 HydrophobicContact CG2-CG 4.05Å; I135-Q138 PolarHBondContact O-N 3.37Å; I135-Q138 VanDerWaalsContact O-N 3.12Å |
| 136 | D | 92.1 | Very high | 94.4 | Very high | 163 Ų | 163 | 65.2 Ų | 65.2 | 87% | 0.872 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | 133.9 | 179 | -69.6 | -30.9 | 0 | 0 | 0 | 111.3 | Q138 | D136-Q138 VanDerWaalsContact C-N 3.26Å; D136-Q138 PolarHBondContact O-N 2.74Å |
| 137 | G | 92.6 | Very high | 94.6 | Very high | 86 Ų | 86 | 62.7 Ų | 62.7 | 89% | 0.887 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | -5.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | I135 | I135-G137 PolarHBondContact O-N 3.39Š|
| 138 | Q | 93.6 | Very high | 94.8 | Very high | 99 Ų | 99 | 63.6 Ų | 63.6 | 46% | 0.463 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -105.8 | 159.2 | 174 | -62.1 | -64.1 | -21.2 | 0 | 0 | 111.4 | I118 I135 D136 G140 | I118-Q138 HydrophobicContact CG2-CB 3.85Å; I118-Q138 HydrophobicContact CG2-CG 4.02Å; I135-Q138 HydrophobicContact CB-CB 4.22Å; I135-Q138 HydrophobicContact CB-CG 4.25Å; I135-Q138 HydrophobicContact CG2-CG 4.05Å; I135-Q138 PolarHBondContact O-N 3.37Å; I135-Q138 VanDerWaalsContact O-N 3.12Å; D136-Q138 VanDerWaalsContact C-N 3.26Å; D136-Q138 PolarHBondContact O-N 2.74Å; Q138-G140 PolarHBondContact O-N 2.77Å |
| 139 | P | 93.2 | Very high | 94.8 | Very high | 75 Ų | 75 | 60.5 Ų | 60.5 | 49% | 0.487 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 132.3 | 169 | -23.6 | 33.8 | 0 | 0 | 0 | 110.8 | M115 Y119 | M115-P139 HydrophobicContact SD-CB 4.39Å; Y119-P139 WeakPolarHBondContact CE2-O 3.04Å; Y119-P139 PolarHBondContact OH-O 3.46Å |
| 140 | G | 94.4 | Very high | 94.9 | Very high | 46 Ų | 46 | 59.9 Ų | 59.9 | 47% | 0.474 | 35% | 0.352 | S | S | . | . | P | Polyproline II helix | trans | -58 | 151 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q138 | Q138-G140 PolarHBondContact O-N 2.77Š|
| 141 | A | 96.3 | Very high | 95 | Very high | 6 Ų | 6 | 58.9 Ų | 58.9 | 5% | 0.05 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -59 | 140.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y119 V132 S134 T143 | Y119-A141 HydrophobicContact CD1-CB 4.27Å; Y119-A141 HydrophobicContact CE1-CB 3.76Å; Y119-A141 HydrophobicContact CE2-CB 4.13Å; Y119-A141 VanDerWaalsContact CZ-CA 3.49Å; Y119-A141 PolarHBondContact OH-N 2.75Å; V132-A141 HydrophobicContact CG1-CB 3.84Å; S134-A141 PolarHBondContact OG-N 3.49Å; S134-A141 VanDerWaalsContact OG-N 3.13Å; A141-T143 PolarHBondContact O-N 2.94Å; A141-T143 PolarHBondContact O-OG1 3.39Å |
| 142 | F | 97.2 | Very high | 95.1 | Very high | 18 Ų | 18 | 65.3 Ų | 65.3 | 8% | 0.079 | 38% | 0.376 | C | S | . | . | trans | -64.5 | 104.8 | -178.4 | -167 | -78 | 0 | 0 | 0 | 110.4 | Y49 I64 L109 L110 F113 M115 C144 L171 S172 | Y49-F142 HydrophobicContact CD1-CE1 4.28Å; Y49-F142 AromaticContact CD1-CZ 3.68Å; Y49-F142 HydrophobicContact CD1-CZ 3.68Å; Y49-F142 AromaticContact CD2-CE1 3.78Å; Y49-F142 HydrophobicContact CD2-CE1 3.78Å; Y49-F142 HydrophobicContact CD2-CE2 4.07Å; Y49-F142 AromaticContact CD2-CZ 3.38Å; Y49-F142 HydrophobicContact CD2-CZ 3.38Å; Y49-F142 HydrophobicContact CE1-CE2 4.47Å; Y49-F142 AromaticContact CE1-CZ 3.83Å; Y49-F142 HydrophobicContact CE1-CZ 3.83Å; Y49-F142 HydrophobicContact CE2-CE1 4.36Å; Y49-F142 AromaticContact CE2-CE2 3.82Å; Y49-F142 HydrophobicContact CE2-CE2 3.82Å; Y49-F142 AromaticContact CE2-CZ 3.54Å; Y49-F142 HydrophobicContact CE2-CZ 3.54Å; Y49-F142 AromaticContact CG-CE1 3.72Å; Y49-F142 HydrophobicContact CG-CE1 3.72Å; Y49-F142 HydrophobicContact CG-CE2 4.49Å; Y49-F142 AromaticContact CG-CZ 3.44Å; Y49-F142 HydrophobicContact CG-CZ 3.44Å; Y49-F142 VanDerWaalsContact CG-CZ 3.44Å; Y49-F142 AromaticContact CZ-CZ 3.75Å; I64-F142 HydrophobicContact CG2-CE1 4.08Å; I64-F142 HydrophobicContact CG2-CZ 4.26Å; L109-F142 HydrophobicContact CD1-CZ 4.48Å; L109-F142 HydrophobicContact CD2-CB 4.44Å; L109-F142 HydrophobicContact CD2-CD1 3.44Å; L109-F142 VanDerWaalsContact CD2-CD1 3.44Å; L109-F142 HydrophobicContact CD2-CD2 3.95Å; L109-F142 HydrophobicContact CD2-CE1 3.52Å; L109-F142 HydrophobicContact CD2-CE2 4.01Å; L109-F142 HydrophobicContact CD2-CG 3.66Å; L109-F142 HydrophobicContact CD2-CZ 3.8Å; L110-F142 HydrophobicContact CD2-CB 4.32Å; F113-F142 HydrophobicContact CD2-CD2 4.18Å; F113-F142 HydrophobicContact CD2-CE2 4.04Å; F113-F142 HydrophobicContact CE2-CD2 4.15Å; F113-F142 AromaticContact CE2-CE2 3.54Å; F113-F142 HydrophobicContact CE2-CE2 3.54Å; F113-F142 HydrophobicContact CE2-CZ 4.31Å; F113-F142 HydrophobicContact CZ-CE2 4.14Å; M115-F142 HydrophobicContact CE-CB 3.93Å; M115-F142 HydrophobicContact CE-CD2 4.01Å; M115-F142 HydrophobicContact CE-CG 4.47Å; F142-C144 HydrophobicContact CD1-CB 4.46Å; F142-C144 HydrophobicContact CE1-CB 4.19Å; F142-L171 HydrophobicContact CB-CD2 4.1Å; F142-L171 HydrophobicContact CD1-CD2 4.23Å; F142-L171 HydrophobicContact CG-CD2 4.42Å; F142-S172 PolarHBondContact O-N 3.43Å | ||
| 143 | T | 97.1 | Very high | 95.2 | Very high | 60 Ų | 60 | 68.4 Ų | 68.4 | 37% | 0.368 | 40% | 0.395 | S | S | . | . | B | Isolated β-bridge | trans | -89.5 | 126.3 | -176.2 | -56.5 | 0 | 0 | 0 | 0 | 111.1 | A141 S172 | A141-T143 PolarHBondContact O-N 2.94Å; A141-T143 PolarHBondContact O-OG1 3.39Å; T143-S172 VanDerWaalsContact CA-O 3.3Å; T143-S172 WeakPolarHBondContact CA-O 3.46Å |
| 144 | C | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 38% | 0.379 | C | S | . | . | trans | -143.1 | 160 | 171.1 | 62.8 | 0 | 0 | 0 | 0 | 112.9 | Y49 F142 S172 I173 | Y49-C144 WeakPolarHBondContact O-CA 3.4Å; F142-C144 HydrophobicContact CD1-CB 4.46Å; F142-C144 HydrophobicContact CE1-CB 4.19Å; C144-S172 PolarHBondContact N-O 3.45Å; C144-I173 WeakPolarHBondContact O-CA 3.33Å | ||
| 145 | Y | 97.8 | Very high | 95.3 | Very high | 80 Ų | 80 | 63.5 Ų | 63.5 | 31% | 0.314 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 135.2 | -174.3 | -55.7 | -82 | 0 | 0 | 0 | 111.6 | K48 Y49 R50 M51 D147 P174 | K48-Y145 HydrophobicContact CD-CE2 4.32Å; K48-Y145 HydrophobicContact CG-CD2 4Å; K48-Y145 HydrophobicContact CG-CE2 3.85Å; Y49-Y145 WeakPolarHBondContact O-CD2 3.49Å; Y49-Y145 PolarHBondContact O-N 3.15Å; R50-Y145 CarbonylContact C-O 3.35Å; R50-Y145 VanDerWaalsContact CA-O 3.22Å; R50-Y145 WeakPolarHBondContact CA-O 3.42Å; M51-Y145 PolarHBondContact N-O 3.09Å; Y145-D147 PolarHBondContact O-N 3Å; Y145-P174 HydrophobicContact CD1-CG 4.48Å; Y145-P174 HydrophobicContact CE1-CG 4.24Å |
| 146 | L | 97.9 | Very high | 95.3 | Very high | 38 Ų | 38 | 60.9 Ų | 60.9 | 20% | 0.199 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 122.8 | 178.3 | -177.2 | 69.4 | 0 | 0 | 0 | 111.8 | M51 V53 V159 F160 L163 I173 | M51-L146 HydrophobicContact SD-CD1 4.46Å; V53-L146 HydrophobicContact CG2-CD1 3.87Å; L146-V159 HydrophobicContact CD1-CG1 4.03Å; L146-V159 HydrophobicContact CD2-CG1 4Å; L146-V159 HydrophobicContact CG-CG1 4.42Å; L146-F160 HydrophobicContact CD2-CD1 4.23Å; L146-F160 HydrophobicContact CD2-CE1 3.93Å; L146-L163 HydrophobicContact CB-CD1 3.99Å; L146-L163 HydrophobicContact CD1-CB 4.43Å; L146-L163 HydrophobicContact CD1-CD1 4.28Å; L146-L163 HydrophobicContact CD2-CD1 3.68Å; L146-L163 HydrophobicContact CG-CD1 4.17Å; L146-I173 HydrophobicContact CB-CG2 4.43Å |
| 147 | D | 97.4 | Very high | 95.6 | Very high | 8 Ų | 8 | 54.8 Ų | 54.8 | 4% | 0.043 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 91.8 | 168.4 | -178.3 | -26.3 | 0 | 0 | 0 | 108.7 | L36 R50 M51 I52 V53 R54 Y145 G149 | L36-D147 HydrophobicContact CD1-CB 3.84Å; R50-D147 HydrophobicContact CB-CB 4.43Å; R50-D147 IonicContact NH1-OD2 2.78Å; R50-D147 PolarHBondContact NH1-OD2 3.18Å; M51-D147 PolarHBondContact O-N 3.5Å; I52-D147 HydrophobicContact CG1-CB 4.04Å; V53-D147 PolarHBondContact N-O 3.29Å; R54-D147 IonicContact CZ-OD1 3.23Å; R54-D147 PolarHBondContact NH1-O 2.71Å; R54-D147 IonicContact NH1-OD1 2.82Å; R54-D147 IonicContact NH2-OD1 2.71Å; R54-D147 PolarHBondContact NH2-OD1 3.36Å; R54-D147 IonicContact NH2-OD2 3.84Å; Y145-D147 PolarHBondContact O-N 3Å; D147-G149 PolarHBondContact O-N 3.25Å; D147-G149 WeakPolarHBondContact OD1-CA 3.45Å; D147-G149 PolarHBondContact OD1-N 3.22Å |
| 148 | A | 95.9 | Very high | 95.8 | Very high | 18 Ų | 18 | 53.8 Ų | 53.8 | 15% | 0.149 | 31% | 0.305 | C | S | . | . | trans | -72.1 | -11.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L150 A151 T153 V159 | A148-L150 PolarHBondContact O-N 3.37Å; A148-L150 VanDerWaalsContact O-N 3.17Å; A148-A151 VanDerWaalsContact O-CB 3.24Å; A148-A151 WeakPolarHBondContact O-CB 3.45Å; A148-A151 PolarHBondContact O-N 2.91Å; A148-T153 HydrophobicContact CB-CG2 4.36Å; A148-V159 HydrophobicContact CB-CG1 4.15Å | ||
| 149 | G | 94.3 | Very high | 96 | Very high | 22 Ų | 22 | 49.2 Ų | 49.2 | 23% | 0.227 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | -112.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R54 D147 | R54-G149 VanDerWaalsContact NH2-CA 3.29Å; D147-G149 PolarHBondContact O-N 3.25Å; D147-G149 WeakPolarHBondContact OD1-CA 3.45Å; D147-G149 PolarHBondContact OD1-N 3.22Å |
| 150 | L | 95.7 | Very high | 96.2 | Very high | 82 Ų | 82 | 46.6 Ų | 46.6 | 43% | 0.429 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 4.4 | 175.9 | -68.6 | 174 | 0 | 0 | 0 | 112.3 | G26 D29 A148 R152 | G26-L150 WeakPolarHBondContact O-CD1 3.28Å; D29-L150 HydrophobicContact CB-CD2 3.63Å; A148-L150 PolarHBondContact O-N 3.37Å; A148-L150 VanDerWaalsContact O-N 3.17Å; L150-R152 PolarHBondContact O-N 3.4Å |
| 151 | A | 95 | Very high | 96.4 | Very high | 41 Ų | 41 | 44.4 Ų | 44.4 | 34% | 0.339 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -63.7 | 134.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | A148 T153 V159 | A148-A151 VanDerWaalsContact O-CB 3.24Å; A148-A151 WeakPolarHBondContact O-CB 3.45Å; A148-A151 PolarHBondContact O-N 2.91Å; A151-T153 PolarHBondContact O-N 3.48Å; A151-V159 HydrophobicContact CB-CG2 3.92Å |
| 152 | R | 95.5 | Very high | 96.5 | Very high | 204 Ų | 204 | 44.1 Ų | 44.1 | 77% | 0.77 | 24% | 0.24 | S | C | * | . | trans | -67.6 | 125.7 | 174.8 | -64.6 | -152.1 | -73.7 | -148.7 | 0.2 | 109.2 | L150 T154 N157 | L150-R152 PolarHBondContact O-N 3.4Å; R152-T154 HydrophobicContact CB-CG2 4.1Å; R152-T154 PolarHBondContact O-N 3.23Å; R152-N157 PolarHBondContact O-ND2 3.28Å | ||
| 153 | T | 95 | Very high | 96.5 | Very high | 71 Ų | 71 | 43.4 Ų | 43.4 | 44% | 0.436 | 24% | 0.237 | S | C | . | . | trans | -77.7 | 66.3 | 176.4 | 54 | 0 | 0 | 0 | 0 | 109.9 | A148 A151 F160 R179 | A148-T153 HydrophobicContact CB-CG2 4.36Å; A151-T153 PolarHBondContact O-N 3.48Å; T153-F160 HydrophobicContact CG2-CZ 3.96Å; T153-R179 PolarHBondContact O-NE 3.44Å; T153-R179 PolarHBondContact O-NH1 3.39Å; T153-R179 PolarHBondContact O-NH2 3.37Å | ||
| 154 | T | 95.6 | Very high | 96.5 | Very high | 69 Ų | 69 | 40.6 Ų | 40.6 | 42% | 0.423 | 22% | 0.22 | S | C | . | . | trans | -90 | 152.1 | 174 | 53.4 | 0 | 0 | 0 | 0 | 110.2 | R152 G156 N157 F160 | R152-T154 HydrophobicContact CB-CG2 4.1Å; R152-T154 PolarHBondContact O-N 3.23Å; T154-G156 PolarHBondContact O-N 3.36Å; T154-N157 WeakPolarHBondContact O-CB 3.39Å; T154-N157 PolarHBondContact O-N 3.2Å; T154-F160 WeakPolarHBondContact O-CE2 3.38Å | ||
| 155 | T | 95 | Very high | 96.6 | Very high | 62 Ų | 62 | 40.6 Ų | 40.6 | 38% | 0.38 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 135.4 | 173.8 | -51.9 | 0 | 0 | 0 | 0 | 109.7 | N157 K178 F180 | T155-N157 VanDerWaalsContact C-N 3.3Å; T155-N157 PolarHBondContact O-N 2.91Å; T155-K178 PolarHBondContact OG1-O 3.13Å; T155-F180 WeakPolarHBondContact CG2-O 3.17Å |
| 156 | G | 93.5 | Very high | 96.6 | Very high | 30 Ų | 30 | 36.8 Ų | 36.8 | 31% | 0.309 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78 | 4.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | T154 K158 R179 | T154-G156 PolarHBondContact O-N 3.36Å; G156-K158 PolarHBondContact O-N 2.92Å; G156-R179 PolarHBondContact N-O 3.07Å |
| 157 | N | 96.7 | Very high | 96.6 | Very high | 35 Ų | 35 | 35 Ų | 35 | 19% | 0.187 | 20% | 0.196 | C | C | . | . | trans | -64.3 | 136.9 | 175.2 | -168.6 | -32.2 | 0 | 0 | 0 | 110.8 | R152 T154 T155 V159 F160 | R152-N157 PolarHBondContact O-ND2 3.28Å; T154-N157 WeakPolarHBondContact O-CB 3.39Å; T154-N157 PolarHBondContact O-N 3.2Å; T155-N157 VanDerWaalsContact C-N 3.3Å; T155-N157 PolarHBondContact O-N 2.91Å; N157-V159 PolarHBondContact O-N 2.91Å; N157-V159 PolarHBondContact OD1-N 3.47Å; N157-V159 VanDerWaalsContact OD1-N 3.13Å; N157-F160 HydrophobicContact CB-CD2 3.9Å; N157-F160 HydrophobicContact CB-CE2 4.15Å; N157-F160 WeakPolarHBondContact O-CB 3.44Å; N157-F160 PolarHBondContact O-N 2.62Å | ||
| 158 | K | 97.2 | Very high | 96.6 | Very high | 65 Ų | 65 | 34.7 Ų | 34.7 | 28% | 0.283 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -50.7 | -28.4 | 175.6 | -65.4 | -178.8 | -87.5 | -178 | 0 | 114.6 | V55 T93 A98 G156 F160 G161 A162 | V55-K158 HydrophobicContact CG2-CB 4.16Å; T93-K158 WeakPolarHBondContact O-CD 3.35Å; T93-K158 WeakPolarHBondContact O-CE 3.34Å; T93-K158 PolarHBondContact O-NZ 3.48Å; A98-K158 HydrophobicContact CB-CB 4.12Å; A98-K158 VanDerWaalsContact CB-O 3.27Å; A98-K158 WeakPolarHBondContact CB-O 3.27Å; G156-K158 PolarHBondContact O-N 2.92Å; K158-F160 PolarHBondContact O-N 2.78Å; K158-G161 PolarHBondContact O-N 2.71Å; K158-G161 VanDerWaalsContact O-N 3.12Å; K158-A162 PolarHBondContact O-N 2.97Å; K158-A162 VanDerWaalsContact O-N 3.07Å |
| 159 | V | 97.8 | Very high | 96.7 | Very high | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.024 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -55.7 | -38.6 | 173 | 172.2 | 0 | 0 | 0 | 0 | 111.6 | V53 V55 L146 A148 A151 N157 L163 | V53-V159 HydrophobicContact CB-CG1 4.15Å; V53-V159 HydrophobicContact CG1-CB 4.4Å; V53-V159 HydrophobicContact CG1-CG1 4.37Å; V53-V159 HydrophobicContact CG1-CG2 4.17Å; V55-V159 HydrophobicContact CG2-CG2 4.48Å; L146-V159 HydrophobicContact CD1-CG1 4.03Å; L146-V159 HydrophobicContact CD2-CG1 4Å; L146-V159 HydrophobicContact CG-CG1 4.42Å; A148-V159 HydrophobicContact CB-CG1 4.15Å; A151-V159 HydrophobicContact CB-CG2 3.92Å; N157-V159 PolarHBondContact O-N 2.91Å; N157-V159 PolarHBondContact OD1-N 3.47Å; N157-V159 VanDerWaalsContact OD1-N 3.13Å; V159-L163 PolarHBondContact O-N 2.78Å; V159-L163 VanDerWaalsContact O-N 3.1Å |
| 160 | F | 97.9 | Very high | 96.8 | Very high | 19 Ų | 19 | 32.8 Ų | 32.8 | 8% | 0.083 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -78.1 | -28.7 | 177.9 | -59.5 | -71.8 | 0 | 0 | 0 | 112.4 | L146 T153 T154 N157 K158 A162 L163 K164 R179 F180 | L146-F160 HydrophobicContact CD2-CD1 4.23Å; L146-F160 HydrophobicContact CD2-CE1 3.93Å; T153-F160 HydrophobicContact CG2-CZ 3.96Å; T154-F160 WeakPolarHBondContact O-CE2 3.38Å; N157-F160 HydrophobicContact CB-CD2 3.9Å; N157-F160 HydrophobicContact CB-CE2 4.15Å; N157-F160 WeakPolarHBondContact O-CB 3.44Å; N157-F160 PolarHBondContact O-N 2.62Å; K158-F160 PolarHBondContact O-N 2.78Å; F160-A162 VanDerWaalsContact C-N 3.35Å; F160-A162 PolarHBondContact O-N 3.15Å; F160-L163 WeakPolarHBondContact O-CB 3.33Å; F160-L163 PolarHBondContact O-N 2.93Å; F160-K164 PolarHBondContact O-N 2.71Å; F160-R179 HydrophobicContact CD1-CB 3.69Å; F160-R179 HydrophobicContact CD1-CG 4.41Å; F160-R179 HydrophobicContact CD2-CB 3.72Å; F160-R179 HydrophobicContact CE1-CB 3.65Å; F160-R179 HydrophobicContact CE1-CG 3.86Å; F160-R179 HydrophobicContact CE2-CB 3.69Å; F160-R179 HydrophobicContact CE2-CG 4.02Å; F160-R179 HydrophobicContact CG-CB 3.74Å; F160-R179 HydrophobicContact CZ-CB 3.65Å; F160-R179 HydrophobicContact CZ-CG 3.64Å; F160-F180 HydrophobicContact CB-CD1 3.96Å; F160-F180 HydrophobicContact CB-CE1 3.99Å; F160-F180 WeakPolarHBondContact O-CE1 3.46Å |
| 161 | G | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.3 | -45.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112 | Y95 Y99 K158 L163 K164 G165 | Y95-G161 WeakPolarHBondContact OH-CA 3.36Å; Y95-G161 PolarHBondContact OH-N 3.43Å; Y99-G161 VanDerWaalsContact CA-O 3.28Å; Y99-G161 WeakPolarHBondContact CA-O 3.26Å; K158-G161 PolarHBondContact O-N 2.71Å; K158-G161 VanDerWaalsContact O-N 3.12Å; G161-L163 PolarHBondContact O-N 2.86Å; G161-K164 PolarHBondContact O-N 2.82Å; G161-G165 PolarHBondContact O-N 3.4Å |
| 162 | A | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.1 | -40.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | M51 V53 A98 G102 K158 F160 G165 A166 | M51-A162 HydrophobicContact CE-CB 4.25Å; M51-A162 WeakPolarHBondContact CE-O 3.39Å; V53-A162 HydrophobicContact CG1-CB 3.86Å; V53-A162 HydrophobicContact CG2-CB 4.01Å; A98-A162 HydrophobicContact CB-CB 4.28Å; A98-A162 VanDerWaalsContact O-CA 3.26Å; A98-A162 WeakPolarHBondContact O-CA 3.44Å; G102-A162 WeakPolarHBondContact CA-O 3.46Å; K158-A162 PolarHBondContact O-N 2.97Å; K158-A162 VanDerWaalsContact O-N 3.07Å; F160-A162 VanDerWaalsContact C-N 3.35Å; F160-A162 PolarHBondContact O-N 3.15Å; A162-G165 PolarHBondContact O-N 3.27Å; A162-A166 WeakPolarHBondContact O-CB 3.44Å; A162-A166 PolarHBondContact O-N 2.88Å |
| 163 | L | 98.1 | Very high | 97.1 | Very high | 4 Ų | 4 | 18.6 Ų | 18.6 | 2% | 0.021 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -57.8 | -49.9 | 173.2 | 176.7 | 148.7 | 0 | 0 | 0 | 111 | L146 V159 F160 G161 G165 A166 V167 I173 H175 F180 | L146-L163 HydrophobicContact CB-CD1 3.99Å; L146-L163 HydrophobicContact CD1-CB 4.43Å; L146-L163 HydrophobicContact CD1-CD1 4.28Å; L146-L163 HydrophobicContact CD2-CD1 3.68Å; L146-L163 HydrophobicContact CG-CD1 4.17Å; V159-L163 PolarHBondContact O-N 2.78Å; V159-L163 VanDerWaalsContact O-N 3.1Å; F160-L163 WeakPolarHBondContact O-CB 3.33Å; F160-L163 PolarHBondContact O-N 2.93Å; G161-L163 PolarHBondContact O-N 2.86Å; L163-G165 PolarHBondContact O-N 2.9Å; L163-A166 WeakPolarHBondContact O-CB 3.37Å; L163-A166 PolarHBondContact O-N 3.44Å; L163-A166 VanDerWaalsContact O-N 3.1Å; L163-V167 HydrophobicContact CD2-CG2 4.22Å; L163-V167 WeakPolarHBondContact O-CG2 3.41Å; L163-V167 PolarHBondContact O-N 2.8Å; L163-I173 HydrophobicContact CD1-CG2 3.77Å; L163-I173 HydrophobicContact CG-CG2 4.22Å; L163-H175 HydrophobicContact CD1-CB 4.13Å; L163-H175 HydrophobicContact CD2-CB 4.04Å; L163-F180 HydrophobicContact CD2-CE1 3.94Å; L163-F180 HydrophobicContact CD2-CZ 3.63Å |
| 164 | K | 98.1 | Very high | 97.2 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 0% | 0.004 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.6 | -46.8 | -178.6 | -178.3 | 58.7 | 172.5 | 152.6 | 0 | 111.1 | Y99 D128 F160 G161 A166 V167 D168 F180 I199 | Y99-K164 HydrophobicContact CD2-CB 4.22Å; Y99-K164 HydrophobicContact CD2-CG 4.11Å; Y99-K164 HydrophobicContact CE2-CB 4.43Å; Y99-K164 HydrophobicContact CE2-CG 3.9Å; D128-K164 VanDerWaalsContact O-CE 3.3Å; D128-K164 WeakPolarHBondContact O-CE 3.42Å; D128-K164 PolarHBondContact O-NZ 3.04Å; F160-K164 PolarHBondContact O-N 2.71Å; G161-K164 PolarHBondContact O-N 2.82Å; K164-A166 PolarHBondContact O-N 3.5Å; K164-V167 PolarHBondContact O-N 3.36Å; K164-V167 VanDerWaalsContact O-N 3.15Å; K164-D168 WeakPolarHBondContact CE-OD1 3.03Å; K164-D168 WeakPolarHBondContact CE-OD2 3.44Å; K164-D168 IonicContact NZ-OD1 2.76Å; K164-D168 PolarHBondContact NZ-OD1 3.33Å; K164-D168 IonicContact NZ-OD2 2.7Å; K164-D168 PolarHBondContact NZ-OD2 2.95Å; K164-D168 WeakPolarHBondContact O-CB 3.28Å; K164-D168 PolarHBondContact O-N 2.77Å; K164-F180 HydrophobicContact CB-CD1 4.45Å; K164-F180 HydrophobicContact CB-CE1 3.77Å; K164-F180 HydrophobicContact CB-CZ 4.16Å; K164-F180 HydrophobicContact CD-CZ 4.28Å; K164-I199 HydrophobicContact CG-CD1 4.27Å |
| 165 | G | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.4 | -34.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y99 L103 G161 A162 L163 G169 | Y99-G165 VanDerWaalsContact CD2-N 3.31Å; L103-G165 WeakPolarHBondContact CA-O 3.35Å; L103-G165 PolarHBondContact N-O 3.31Å; G161-G165 PolarHBondContact O-N 3.4Å; A162-G165 PolarHBondContact O-N 3.27Å; L163-G165 PolarHBondContact O-N 2.9Å; G165-G169 PolarHBondContact O-N 3.45Å |
| 166 | A | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -72 | -36.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | M51 G102 A106 A162 L163 K164 G169 G170 L171 I173 | M51-A166 HydrophobicContact CE-CB 3.52Å; M51-A166 HydrophobicContact SD-CB 3.78Å; G102-A166 WeakPolarHBondContact O-CA 3.49Å; A106-A166 HydrophobicContact CB-CB 4.37Å; A106-A166 WeakPolarHBondContact CB-O 3.43Å; A162-A166 WeakPolarHBondContact O-CB 3.44Å; A162-A166 PolarHBondContact O-N 2.88Å; L163-A166 WeakPolarHBondContact O-CB 3.37Å; L163-A166 PolarHBondContact O-N 3.44Å; L163-A166 VanDerWaalsContact O-N 3.1Å; K164-A166 PolarHBondContact O-N 3.5Å; A166-G169 CarbonylContact O-C 3.59Å; A166-G169 WeakPolarHBondContact O-CA 3.4Å; A166-G169 PolarHBondContact O-N 3.5Å; A166-G170 PolarHBondContact O-N 3.17Å; A166-L171 HydrophobicContact CB-CD1 4.25Å; A166-L171 WeakPolarHBondContact O-CB 3.49Å; A166-L171 PolarHBondContact O-N 2.97Å; A166-L171 VanDerWaalsContact O-N 3.1Å; A166-I173 HydrophobicContact CB-CD1 3.89Å |
| 167 | V | 97.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.006 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -71.8 | -45.5 | 175.8 | -179.8 | 0 | 0 | 0 | 0 | 111.2 | Y130 V132 L163 K164 G169 G170 L171 I173 | Y130-V167 HydrophobicContact CD1-CG1 4.05Å; Y130-V167 WeakPolarHBondContact O-CG1 3.5Å; V132-V167 HydrophobicContact CG2-CG1 4.17Å; V132-V167 WeakPolarHBondContact CG2-O 3.45Å; L163-V167 HydrophobicContact CD2-CG2 4.22Å; L163-V167 WeakPolarHBondContact O-CG2 3.41Å; L163-V167 PolarHBondContact O-N 2.8Å; K164-V167 PolarHBondContact O-N 3.36Å; K164-V167 VanDerWaalsContact O-N 3.15Å; V167-G169 PolarHBondContact O-N 3.33Å; V167-G169 VanDerWaalsContact O-N 3.17Å; V167-G170 PolarHBondContact O-N 2.72Å; V167-L171 WeakPolarHBondContact CA-O 3.38Å; V167-I173 HydrophobicContact CG2-CB 3.81Å; V167-I173 HydrophobicContact CG2-CD1 4.22Å; V167-I173 HydrophobicContact CG2-CG1 4.13Å |
| 168 | D | 97.5 | Very high | 97.2 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.005 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.5 | -21.3 | 172.8 | -65.1 | -10.7 | 0 | 0 | 0 | 111.3 | Y99 G121 Q122 K164 G170 R248 | Y99-D168 HydrophobicContact CE2-CB 4.38Å; Y99-D168 WeakPolarHBondContact CE2-OD2 3.41Å; Y99-D168 WeakPolarHBondContact OH-CB 3.16Å; Y99-D168 PolarHBondContact OH-OD2 3.22Å; Y99-D168 VanDerWaalsContact OH-OD2 3.13Å; G121-D168 CarbonylContact C-O 3.46Å; G121-D168 WeakPolarHBondContact CA-O 3.25Å; Q122-D168 HydrophobicContact CB-CB 4.16Å; Q122-D168 PolarHBondContact N-O 3.36Å; Q122-D168 VanDerWaalsContact N-O 3.08Å; K164-D168 WeakPolarHBondContact CE-OD1 3.03Å; K164-D168 WeakPolarHBondContact CE-OD2 3.44Å; K164-D168 IonicContact NZ-OD1 2.76Å; K164-D168 PolarHBondContact NZ-OD1 3.33Å; K164-D168 IonicContact NZ-OD2 2.7Å; K164-D168 PolarHBondContact NZ-OD2 2.95Å; K164-D168 WeakPolarHBondContact O-CB 3.28Å; K164-D168 PolarHBondContact O-N 2.77Å; D168-G170 VanDerWaalsContact C-N 3.3Å; D168-R248 PolarHBondContact O-NH2 3.01Å |
| 169 | G | 97.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 10.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | A106 R107 L110 G165 A166 V167 | A106-G169 VanDerWaalsContact CB-O 3.29Å; A106-G169 WeakPolarHBondContact CB-O 3.42Å; R107-G169 VanDerWaalsContact CZ-C 3.48Å; R107-G169 PolarHBondContact NE-O 2.86Å; R107-G169 PolarHBondContact NH2-O 3.23Å; L110-G169 VanDerWaalsContact CD1-O 3.25Å; L110-G169 WeakPolarHBondContact CD1-O 3.42Å; G165-G169 PolarHBondContact O-N 3.45Å; A166-G169 CarbonylContact O-C 3.59Å; A166-G169 WeakPolarHBondContact O-CA 3.4Å; A166-G169 PolarHBondContact O-N 3.5Å; V167-G169 PolarHBondContact O-N 3.33Å; V167-G169 VanDerWaalsContact O-N 3.17Å |
| 170 | G | 96.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.7 | 9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | A166 V167 D168 | A166-G170 PolarHBondContact O-N 3.17Å; V167-G170 PolarHBondContact O-N 2.72Å; D168-G170 VanDerWaalsContact C-N 3.3Å |
| 171 | L | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -87.2 | 138.9 | 172.2 | -56.5 | -174.2 | 0 | 0 | 0 | 111.4 | I64 A106 L109 L110 F142 A166 V167 I173 | I64-L171 HydrophobicContact CD1-CD1 3.6Å; A106-L171 HydrophobicContact CB-CD1 3.86Å; A106-L171 HydrophobicContact CB-CD2 4.33Å; A106-L171 HydrophobicContact CB-CG 3.63Å; L109-L171 HydrophobicContact CD2-CD1 4.29Å; L109-L171 HydrophobicContact CD2-CD2 3.51Å; L110-L171 HydrophobicContact CD2-CD2 4.15Å; L110-L171 HydrophobicContact CG-CD2 4.18Å; F142-L171 HydrophobicContact CB-CD2 4.1Å; F142-L171 HydrophobicContact CD1-CD2 4.23Å; F142-L171 HydrophobicContact CG-CD2 4.42Å; A166-L171 HydrophobicContact CB-CD1 4.25Å; A166-L171 WeakPolarHBondContact O-CB 3.49Å; A166-L171 PolarHBondContact O-N 2.97Å; A166-L171 VanDerWaalsContact O-N 3.1Å; V167-L171 WeakPolarHBondContact CA-O 3.38Å; L171-I173 HydrophobicContact CB-CD1 4.34Å; L171-I173 HydrophobicContact CB-CG1 4.15Å; L171-I173 PolarHBondContact O-N 3.02Å | ||
| 172 | S | 97.5 | Very high | 96.9 | Very high | 26 Ų | 26 | 23.5 Ų | 23.5 | 18% | 0.182 | 13% | 0.129 | C | C | . | . | B | Isolated β-bridge | trans | -84.3 | 104.4 | 171.2 | -167.9 | 0 | 0 | 0 | 0 | 109.4 | V132 F142 T143 C144 | V132-S172 PolarHBondContact O-OG 3.17Å; F142-S172 PolarHBondContact O-N 3.43Å; T143-S172 VanDerWaalsContact CA-O 3.3Å; T143-S172 WeakPolarHBondContact CA-O 3.46Å; C144-S172 PolarHBondContact N-O 3.45Å |
| 173 | I | 97.7 | Very high | 96.8 | Very high | 3 Ų | 3 | 25.3 Ų | 25.3 | 2% | 0.015 | 14% | 0.137 | C | C | . | . | trans | -122.3 | 110 | 176.8 | -54 | 178 | 0 | 0 | 0 | 107.8 | M51 C144 L146 L163 A166 V167 L171 H175 | M51-I173 HydrophobicContact CB-CD1 4.39Å; M51-I173 HydrophobicContact SD-CD1 3.49Å; M51-I173 WeakPolarHBondContact SD-CD1 3.27Å; C144-I173 WeakPolarHBondContact O-CA 3.33Å; L146-I173 HydrophobicContact CB-CG2 4.43Å; L163-I173 HydrophobicContact CD1-CG2 3.77Å; L163-I173 HydrophobicContact CG-CG2 4.22Å; A166-I173 HydrophobicContact CB-CD1 3.89Å; V167-I173 HydrophobicContact CG2-CB 3.81Å; V167-I173 HydrophobicContact CG2-CD1 4.22Å; V167-I173 HydrophobicContact CG2-CG1 4.13Å; L171-I173 HydrophobicContact CB-CD1 4.34Å; L171-I173 HydrophobicContact CB-CG1 4.15Å; L171-I173 PolarHBondContact O-N 3.02Å; I173-H175 PolarHBondContact O-N 3.3Å; I173-H175 PolarHBondContact O-ND1 2.86Å | ||
| 174 | P | 96.9 | Very high | 96.6 | Very high | 85 Ų | 85 | 28.4 Ų | 28.4 | 55% | 0.552 | 15% | 0.153 | S | C | * | . | trans | -61.2 | 123.1 | 179.2 | -24 | 33.9 | 0 | 0 | 0 | 111.4 | Y145 | Y145-P174 HydrophobicContact CD1-CG 4.48Å; Y145-P174 HydrophobicContact CE1-CG 4.24Å | ||
| 175 | H | 95.9 | Very high | 96.3 | Very high | 42 Ų | 42 | 32.8 Ų | 32.8 | 19% | 0.194 | 18% | 0.184 | C | C | . | . | trans | -154.4 | 177 | -178.7 | 68.8 | -75.3 | 0 | 0 | 0 | 111.8 | N131 L163 I173 F180 | N131-H175 PolarHBondContact OD1-CE1 2.85Å; N131-H175 PolarHBondContact OD1-ND1 3.11Å; L163-H175 HydrophobicContact CD1-CB 4.13Å; L163-H175 HydrophobicContact CD2-CB 4.04Å; I173-H175 PolarHBondContact O-N 3.3Å; I173-H175 PolarHBondContact O-ND1 2.86Å; H175-F180 AromaticContact CD2-CE2 3.47Å; H175-F180 VanDerWaalsContact CD2-CE2 3.47Å; H175-F180 WeakPolarHBondContact CD2-CE2 3.34Å; H175-F180 AromaticContact CD2-CZ 3.4Å; H175-F180 VanDerWaalsContact CD2-CZ 3.4Å; H175-F180 WeakPolarHBondContact CD2-CZ 3.24Å; H175-F180 AromaticContact NE2-CE2 3.66Å; H175-F180 AromaticContact NE2-CZ 3.64Å | ||
| 176 | S | 95 | Very high | 96.1 | Very high | 58 Ų | 58 | 41 Ų | 41 | 41% | 0.406 | 22% | 0.222 | S | C | . | . | trans | -132.8 | 156.9 | 172.6 | 67.5 | 0 | 0 | 0 | 0 | 109 | K178 | S176-K178 PolarHBondContact O-N 3.04Å; S176-K178 VanDerWaalsContact O-N 3.14Å | ||
| 177 | T | 94.7 | Very high | 95.9 | Very high | 22 Ų | 22 | 43.6 Ų | 43.6 | 14% | 0.135 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -64.7 | -17.2 | -179.3 | 52.2 | 0 | 0 | 0 | 0 | 115.3 | E129 R179 F180 F190 | E129-T177 HydrophobicContact CB-CG2 3.73Å; E129-T177 HydrophobicContact CG-CG2 3.93Å; E129-T177 WeakPolarHBondContact OE2-CG2 3.33Å; T177-R179 PolarHBondContact O-N 2.96Å; T177-F180 PolarHBondContact O-N 3.42Å; T177-F190 HydrophobicContact CG2-CD1 3.95Å; T177-F190 HydrophobicContact CG2-CE1 4.18Å; T177-F190 HydrophobicContact CG2-CG 4.29Å |
| 178 | K | 96.3 | Very high | 95.7 | Very high | 115 Ų | 115 | 51 Ų | 51 | 50% | 0.5 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -56.6 | -13.3 | -172.5 | -54.8 | -171.4 | 179.3 | 179.4 | 0 | 117.3 | T155 S176 Y183 | T155-K178 PolarHBondContact OG1-O 3.13Å; S176-K178 PolarHBondContact O-N 3.04Å; S176-K178 VanDerWaalsContact O-N 3.14Å; K178-Y183 HydrophobicContact CB-CD1 4.08Å; K178-Y183 HydrophobicContact CB-CE1 3.82Å; K178-Y183 HydrophobicContact CB-CE2 4.44Å; K178-Y183 HydrophobicContact CB-CG 4.47Å; K178-Y183 HydrophobicContact CG-CE1 4.01Å; K178-Y183 HydrophobicContact CG-CE2 4.04Å; K178-Y183 VanDerWaalsContact O-CD1 3.29Å; K178-Y183 WeakPolarHBondContact O-CD1 3.18Å |
| 179 | R | 96 | Very high | 95.6 | Very high | 99 Ų | 99 | 57.8 Ų | 57.8 | 37% | 0.374 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -112.1 | -4.7 | -176.7 | -64.2 | -59.4 | -173 | -170.9 | 2.4 | 113.7 | T153 G156 F160 T177 | T153-R179 PolarHBondContact O-NE 3.44Å; T153-R179 PolarHBondContact O-NH1 3.39Å; T153-R179 PolarHBondContact O-NH2 3.37Å; G156-R179 PolarHBondContact N-O 3.07Å; F160-R179 HydrophobicContact CD1-CB 3.69Å; F160-R179 HydrophobicContact CD1-CG 4.41Å; F160-R179 HydrophobicContact CD2-CB 3.72Å; F160-R179 HydrophobicContact CE1-CB 3.65Å; F160-R179 HydrophobicContact CE1-CG 3.86Å; F160-R179 HydrophobicContact CE2-CB 3.69Å; F160-R179 HydrophobicContact CE2-CG 4.02Å; F160-R179 HydrophobicContact CG-CB 3.74Å; F160-R179 HydrophobicContact CZ-CB 3.65Å; F160-R179 HydrophobicContact CZ-CG 3.64Å; T177-R179 PolarHBondContact O-N 2.96Å |
| 180 | F | 97 | Very high | 95.5 | Very high | 4 Ų | 4 | 60.1 Ų | 60.1 | 2% | 0.018 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -80.8 | 152.9 | 176.1 | -61.6 | -50.7 | 0 | 0 | 0 | 111.5 | T155 F160 L163 K164 H175 T177 Y183 F190 H195 | T155-F180 WeakPolarHBondContact CG2-O 3.17Å; F160-F180 HydrophobicContact CB-CD1 3.96Å; F160-F180 HydrophobicContact CB-CE1 3.99Å; F160-F180 WeakPolarHBondContact O-CE1 3.46Å; L163-F180 HydrophobicContact CD2-CE1 3.94Å; L163-F180 HydrophobicContact CD2-CZ 3.63Å; K164-F180 HydrophobicContact CB-CD1 4.45Å; K164-F180 HydrophobicContact CB-CE1 3.77Å; K164-F180 HydrophobicContact CB-CZ 4.16Å; K164-F180 HydrophobicContact CD-CZ 4.28Å; H175-F180 AromaticContact CD2-CE2 3.47Å; H175-F180 VanDerWaalsContact CD2-CE2 3.47Å; H175-F180 WeakPolarHBondContact CD2-CE2 3.34Å; H175-F180 AromaticContact CD2-CZ 3.4Å; H175-F180 VanDerWaalsContact CD2-CZ 3.4Å; H175-F180 WeakPolarHBondContact CD2-CZ 3.24Å; H175-F180 AromaticContact NE2-CE2 3.66Å; H175-F180 AromaticContact NE2-CZ 3.64Å; T177-F180 PolarHBondContact O-N 3.42Å; F180-Y183 PolarHBondContact O-N 2.86Å; F180-F190 HydrophobicContact CB-CE2 3.83Å; F180-F190 HydrophobicContact CB-CZ 4.37Å; F180-H195 AromaticContact CD1-CE1 3.58Å; F180-H195 AromaticContact CD1-NE2 3.7Å; F180-H195 AromaticContact CD2-CE1 3.93Å; F180-H195 AromaticContact CG-CE1 3.48Å; F180-H195 VanDerWaalsContact CG-CE1 3.48Å; F180-H195 WeakPolarHBondContact CG-CE1 3.29Å; F180-H195 AromaticContact CG-NE2 3.9Å |
| 181 | P | 96 | Very high | 95.4 | Very high | 7 Ų | 7 | 63.7 Ų | 63.7 | 5% | 0.045 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 142 | 165.6 | -15.4 | 25.8 | 0 | 0 | 0 | 110.9 | Y95 F190 H195 H198 | Y95-P181 HydrophobicContact CD2-CG 4.3Å; Y95-P181 HydrophobicContact CE1-CG 4.21Å; Y95-P181 HydrophobicContact CE2-CG 3.7Å; Y95-P181 WeakPolarHBondContact OH-CD 3.44Å; P181-F190 WeakPolarHBondContact O-CE2 3.42Å; P181-H195 WeakPolarHBondContact O-CB 3.32Å; P181-H198 HydrophobicContact CB-CB 4.33Å; P181-H198 WeakPolarHBondContact CB-CD2 3.27Å; P181-H198 HydrophobicContact CG-CB 4.06Å; P181-H198 WeakPolarHBondContact CG-CD2 3.48Å |
| 182 | G | 94.4 | Very high | 95.4 | Very high | 25 Ų | 25 | 64.7 Ų | 64.7 | 26% | 0.258 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.7 | -4.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | N191 | G182-N191 PolarHBondContact O-N 3.48Š|
| 183 | Y | 96.4 | Very high | 95.3 | Very high | 39 Ų | 39 | 68.7 Ų | 68.7 | 15% | 0.153 | 36% | 0.358 | C | S | . | . | B | Isolated β-bridge | trans | -86.3 | 124.8 | 169.1 | -174.2 | -103.4 | 0 | 0 | 0 | 111.2 | K178 F180 K188 E189 F190 | K178-Y183 HydrophobicContact CB-CD1 4.08Å; K178-Y183 HydrophobicContact CB-CE1 3.82Å; K178-Y183 HydrophobicContact CB-CE2 4.44Å; K178-Y183 HydrophobicContact CB-CG 4.47Å; K178-Y183 HydrophobicContact CG-CE1 4.01Å; K178-Y183 HydrophobicContact CG-CE2 4.04Å; K178-Y183 VanDerWaalsContact O-CD1 3.29Å; K178-Y183 WeakPolarHBondContact O-CD1 3.18Å; F180-Y183 PolarHBondContact O-N 2.86Å; Y183-K188 WeakPolarHBondContact CE2-O 3.35Å; Y183-E189 WeakPolarHBondContact CA-O 3.17Å; Y183-E189 WeakPolarHBondContact CD2-O 3.41Å; Y183-F190 HydrophobicContact CD2-CB 4.14Å |
| 184 | D | 94.6 | Very high | 95.2 | Very high | 68 Ų | 68 | 70.9 Ų | 70.9 | 36% | 0.364 | 37% | 0.371 | S | S | . | . | trans | -100.9 | 129.3 | 170.6 | 172.4 | 30.7 | 0 | 0 | 0 | 110.7 | E186 S187 K188 E189 | D184-E186 VanDerWaalsContact C-N 3.35Å; D184-E186 PolarHBondContact OD1-N 2.83Å; D184-S187 WeakPolarHBondContact CB-OG 3.36Å; D184-S187 VanDerWaalsContact OD2-CB 3.27Å; D184-S187 WeakPolarHBondContact OD2-CB 3.44Å; D184-S187 PolarHBondContact OD2-N 3.33Å; D184-S187 PolarHBondContact OD2-OG 3.22Å; D184-K188 WeakPolarHBondContact O-CA 3.18Å; D184-K188 PolarHBondContact O-N 3.39Å; D184-E189 PolarHBondContact N-O 3.14Å | ||
| 185 | S | 92.1 | Very high | 95.2 | Very high | 93 Ų | 93 | 66.9 Ų | 66.9 | 65% | 0.65 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -22.2 | -179.7 | 50.8 | 0 | 0 | 0 | 0 | 113.9 | ||
| 186 | E | 93.2 | Very high | 95.3 | Very high | 172 Ų | 172 | 68.3 Ų | 68.3 | 80% | 0.804 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -57 | -178.5 | -64.4 | -175.5 | -179.1 | 0 | 0 | 110.7 | D184 K188 | D184-E186 VanDerWaalsContact C-N 3.35Å; D184-E186 PolarHBondContact OD1-N 2.83Å; E186-K188 VanDerWaalsContact C-N 3.3Å; E186-K188 PolarHBondContact O-N 2.91Å |
| 187 | S | 94 | Very high | 95.4 | Very high | 56 Ų | 56 | 69 Ų | 69 | 39% | 0.392 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -21.9 | 174.8 | 59.7 | 0 | 0 | 0 | 0 | 113.7 | D184 E189 | D184-S187 WeakPolarHBondContact CB-OG 3.36Å; D184-S187 VanDerWaalsContact OD2-CB 3.27Å; D184-S187 WeakPolarHBondContact OD2-CB 3.44Å; D184-S187 PolarHBondContact OD2-N 3.33Å; D184-S187 PolarHBondContact OD2-OG 3.22Å; S187-E189 PolarHBondContact O-N 3.17Å; S187-E189 PolarHBondContact OG-N 2.76Å |
| 188 | K | 93.5 | Very high | 95.5 | Very high | 157 Ų | 157 | 70.2 Ų | 70.2 | 68% | 0.683 | 35% | 0.349 | S | S | * | . | trans | 61.6 | 18.8 | -170.3 | -55.1 | 174.1 | -175.2 | 165 | 0 | 113.5 | Y183 D184 E186 | Y183-K188 WeakPolarHBondContact CE2-O 3.35Å; D184-K188 WeakPolarHBondContact O-CA 3.18Å; D184-K188 PolarHBondContact O-N 3.39Å; E186-K188 VanDerWaalsContact C-N 3.3Å; E186-K188 PolarHBondContact O-N 2.91Å | ||
| 189 | E | 94.7 | Very high | 95.6 | Very high | 143 Ų | 143 | 64.8 Ų | 64.8 | 67% | 0.668 | 33% | 0.325 | S | S | * | . | trans | -91.5 | 150.5 | 178.4 | -65 | -179.1 | 175.5 | 0 | 0 | 111.4 | Y183 D184 S187 | Y183-E189 WeakPolarHBondContact CA-O 3.17Å; Y183-E189 WeakPolarHBondContact CD2-O 3.41Å; D184-E189 PolarHBondContact N-O 3.14Å; S187-E189 PolarHBondContact O-N 3.17Å; S187-E189 PolarHBondContact OG-N 2.76Å | ||
| 190 | F | 95 | Very high | 95.6 | Very high | 49 Ų | 49 | 60.4 Ų | 60.4 | 22% | 0.215 | 31% | 0.309 | C | S | . | . | B | Isolated β-bridge | trans | -119.5 | 118.9 | 177.7 | 174.8 | -116.2 | 0 | 0 | 0 | 110 | G127 T177 F180 P181 Y183 A192 H195 | G127-F190 WeakPolarHBondContact O-CZ 3.34Å; T177-F190 HydrophobicContact CG2-CD1 3.95Å; T177-F190 HydrophobicContact CG2-CE1 4.18Å; T177-F190 HydrophobicContact CG2-CG 4.29Å; F180-F190 HydrophobicContact CB-CE2 3.83Å; F180-F190 HydrophobicContact CB-CZ 4.37Å; P181-F190 WeakPolarHBondContact O-CE2 3.42Å; Y183-F190 HydrophobicContact CD2-CB 4.14Å; F190-A192 HydrophobicContact CE1-CB 4.04Å; F190-H195 HydrophobicContact CE2-CB 4.1Å; F190-H195 HydrophobicContact CZ-CB 3.84Å; F190-H195 AromaticContact CZ-ND1 3.67Å |
| 191 | N | 95.9 | Very high | 95.6 | Very high | 74 Ų | 74 | 60.2 Ų | 60.2 | 40% | 0.396 | 31% | 0.308 | S | S | . | . | trans | -96.3 | 103.5 | 174.3 | -173.2 | -37.8 | 0 | 0 | 0 | 110.6 | G182 E193 V194 H195 | G182-N191 PolarHBondContact O-N 3.48Å; N191-E193 VanDerWaalsContact C-N 3.28Å; N191-E193 PolarHBondContact O-N 3.49Å; N191-E193 WeakPolarHBondContact OD1-CA 3.37Å; N191-E193 WeakPolarHBondContact OD1-CB 3.42Å; N191-E193 PolarHBondContact OD1-N 3.39Å; N191-V194 HydrophobicContact CB-CB 4.39Å; N191-V194 HydrophobicContact CB-CG2 4.06Å; N191-V194 PolarHBondContact O-N 2.98Å; N191-V194 PolarHBondContact OD1-N 2.99Å; N191-V194 VanDerWaalsContact OD1-N 3.12Å; N191-H195 PolarHBondContact O-N 3.06Å | ||
| 192 | A | 96.1 | Very high | 95.6 | Very high | 22 Ų | 22 | 61.8 Ų | 61.8 | 18% | 0.182 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.6 | -31.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | D128 F190 H195 R196 | D128-A192 HydrophobicContact CB-CB 4.09Å; F190-A192 HydrophobicContact CE1-CB 4.04Å; A192-H195 WeakPolarHBondContact O-CB 3.33Å; A192-H195 PolarHBondContact O-N 2.94Å; A192-R196 PolarHBondContact O-N 3.37Å |
| 193 | E | 96 | Very high | 95.7 | Very high | 110 Ų | 110 | 63.1 Ų | 63.1 | 51% | 0.514 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.2 | -48 | 178.1 | -164.5 | -162.5 | 142.1 | 0 | 0 | 110.3 | N191 H195 R196 K197 | N191-E193 VanDerWaalsContact C-N 3.28Å; N191-E193 PolarHBondContact O-N 3.49Å; N191-E193 WeakPolarHBondContact OD1-CA 3.37Å; N191-E193 WeakPolarHBondContact OD1-CB 3.42Å; N191-E193 PolarHBondContact OD1-N 3.39Å; E193-H195 VanDerWaalsContact C-N 3.27Å; E193-H195 PolarHBondContact O-N 2.88Å; E193-R196 WeakPolarHBondContact O-CA 3.24Å; E193-R196 WeakPolarHBondContact O-CB 3.32Å; E193-R196 PolarHBondContact O-N 3.49Å; E193-R196 VanDerWaalsContact O-N 3.09Å; E193-K197 VanDerWaalsContact O-CG 3.25Å; E193-K197 WeakPolarHBondContact O-CG 3.38Å; E193-K197 PolarHBondContact O-N 2.95Å; E193-K197 WeakPolarHBondContact OE1-CE 3.18Å; E193-K197 IonicContact OE1-NZ 3.15Å; E193-K197 PolarHBondContact OE1-NZ 3.45Å |
| 194 | V | 96.3 | Very high | 95.7 | Very high | 49 Ų | 49 | 62.2 Ų | 62.2 | 30% | 0.297 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -58.1 | -41.5 | 176.3 | 175.9 | 0 | 0 | 0 | 0 | 111.1 | N191 K197 H198 | N191-V194 HydrophobicContact CB-CB 4.39Å; N191-V194 HydrophobicContact CB-CG2 4.06Å; N191-V194 PolarHBondContact O-N 2.98Å; N191-V194 PolarHBondContact OD1-N 2.99Å; N191-V194 VanDerWaalsContact OD1-N 3.12Å; V194-K197 WeakPolarHBondContact O-CB 3.27Å; V194-K197 PolarHBondContact O-N 2.86Å; V194-H198 PolarHBondContact O-N 2.96Å |
| 195 | H | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.8 | -46.2 | 175.6 | -170.4 | -165.5 | 0 | 0 | 0 | 111.7 | Y95 G127 F180 P181 F190 N191 A192 E193 K197 H198 I199 | Y95-H195 AromaticContact CE1-NE2 3.92Å; Y95-H195 AromaticContact CZ-NE2 3.76Å; Y95-H195 PolarHBondContact OH-CD2 3.04Å; Y95-H195 PolarHBondContact OH-NE2 3.31Å; G127-H195 PolarHBondContact O-ND1 3.5Å; F180-H195 AromaticContact CD1-CE1 3.58Å; F180-H195 AromaticContact CD1-NE2 3.7Å; F180-H195 AromaticContact CD2-CE1 3.93Å; F180-H195 AromaticContact CG-CE1 3.48Å; F180-H195 VanDerWaalsContact CG-CE1 3.48Å; F180-H195 WeakPolarHBondContact CG-CE1 3.29Å; F180-H195 AromaticContact CG-NE2 3.9Å; P181-H195 WeakPolarHBondContact O-CB 3.32Å; F190-H195 HydrophobicContact CE2-CB 4.1Å; F190-H195 HydrophobicContact CZ-CB 3.84Å; F190-H195 AromaticContact CZ-ND1 3.67Å; N191-H195 PolarHBondContact O-N 3.06Å; A192-H195 WeakPolarHBondContact O-CB 3.33Å; A192-H195 PolarHBondContact O-N 2.94Å; E193-H195 VanDerWaalsContact C-N 3.27Å; E193-H195 PolarHBondContact O-N 2.88Å; H195-K197 VanDerWaalsContact C-N 3.31Å; H195-K197 PolarHBondContact O-N 3.2Å; H195-H198 PolarHBondContact O-N 3.13Å; H195-H198 VanDerWaalsContact O-N 3.14Å; H195-I199 WeakPolarHBondContact O-CG1 3.35Å; H195-I199 PolarHBondContact O-N 3.27Å |
| 196 | R | 96.9 | Very high | 96 | Very high | 73 Ų | 73 | 58.4 Ų | 58.4 | 28% | 0.275 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57.1 | -43.2 | 175.2 | -172.3 | -173.1 | 174.2 | -76.2 | -3.9 | 111.6 | V125 A192 E193 H198 I199 M200 E237 | V125-R196 PolarHBondContact O-NE 3.22Å; A192-R196 PolarHBondContact O-N 3.37Å; E193-R196 WeakPolarHBondContact O-CA 3.24Å; E193-R196 WeakPolarHBondContact O-CB 3.32Å; E193-R196 PolarHBondContact O-N 3.49Å; E193-R196 VanDerWaalsContact O-N 3.09Å; R196-H198 VanDerWaalsContact C-N 3.25Å; R196-H198 PolarHBondContact O-N 3.14Å; R196-I199 PolarHBondContact O-N 3Å; R196-I199 VanDerWaalsContact O-N 3.1Å; R196-M200 HydrophobicContact CG-CG 4.34Å; R196-M200 WeakPolarHBondContact O-CG 3.48Å; R196-M200 PolarHBondContact O-N 3.37Å; R196-E237 IonicContact CZ-OE1 3.34Å; R196-E237 IonicContact NH1-OE1 2.76Å; R196-E237 PolarHBondContact NH1-OE1 2.86Å; R196-E237 IonicContact NH2-OE1 3.33Å; R196-E237 PolarHBondContact NH2-OE1 3.33Å |
| 197 | K | 97.1 | Very high | 96.2 | Very high | 71 Ų | 71 | 55 Ų | 55 | 31% | 0.309 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -55.4 | -42 | 176.8 | -57.2 | -157.5 | 172.7 | 154.7 | 0 | 111.5 | E193 V194 H195 G201 Q202 | E193-K197 VanDerWaalsContact O-CG 3.25Å; E193-K197 WeakPolarHBondContact O-CG 3.38Å; E193-K197 PolarHBondContact O-N 2.95Å; E193-K197 WeakPolarHBondContact OE1-CE 3.18Å; E193-K197 IonicContact OE1-NZ 3.15Å; E193-K197 PolarHBondContact OE1-NZ 3.45Å; V194-K197 WeakPolarHBondContact O-CB 3.27Å; V194-K197 PolarHBondContact O-N 2.86Å; H195-K197 VanDerWaalsContact C-N 3.31Å; H195-K197 PolarHBondContact O-N 3.2Å; K197-G201 PolarHBondContact O-N 3.38Å; K197-Q202 HydrophobicContact CB-CB 4.05Å; K197-Q202 WeakPolarHBondContact O-CB 3.37Å; K197-Q202 PolarHBondContact O-N 3.45Å |
| 198 | H | 97.2 | Very high | 96.3 | Very high | 49 Ų | 49 | 52.4 Ų | 52.4 | 23% | 0.227 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -71.8 | -35.4 | 177.8 | -74.4 | 21.9 | 0 | 0 | 0 | 113.5 | Y95 P181 V194 H195 R196 G201 | Y95-H198 HydrophobicContact CD1-CB 3.73Å; Y95-H198 HydrophobicContact CE1-CB 4.06Å; Y95-H198 HydrophobicContact CG-CB 4.23Å; P181-H198 HydrophobicContact CB-CB 4.33Å; P181-H198 WeakPolarHBondContact CB-CD2 3.27Å; P181-H198 HydrophobicContact CG-CB 4.06Å; P181-H198 WeakPolarHBondContact CG-CD2 3.48Å; V194-H198 PolarHBondContact O-N 2.96Å; H195-H198 PolarHBondContact O-N 3.13Å; H195-H198 VanDerWaalsContact O-N 3.14Å; R196-H198 VanDerWaalsContact C-N 3.25Å; R196-H198 PolarHBondContact O-N 3.14Å; H198-G201 PolarHBondContact O-N 2.69Å |
| 199 | I | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.5 | -41.4 | 175.7 | -64.4 | 166 | 0 | 0 | 0 | 110.6 | Y95 A96 Y99 V125 K164 H195 R196 G201 | Y95-I199 HydrophobicContact CE1-CG1 3.99Å; A96-I199 WeakPolarHBondContact CB-O 3.45Å; Y99-I199 HydrophobicContact CD1-CG2 3.52Å; Y99-I199 HydrophobicContact CD2-CB 4.43Å; Y99-I199 HydrophobicContact CD2-CD1 4.04Å; Y99-I199 HydrophobicContact CD2-CG1 3.87Å; Y99-I199 HydrophobicContact CD2-CG2 3.73Å; Y99-I199 HydrophobicContact CE1-CG2 3.67Å; Y99-I199 HydrophobicContact CE2-CD1 3.93Å; Y99-I199 HydrophobicContact CE2-CG1 4.23Å; Y99-I199 HydrophobicContact CE2-CG2 3.86Å; Y99-I199 HydrophobicContact CG-CB 4.48Å; Y99-I199 HydrophobicContact CG-CG1 4.32Å; Y99-I199 HydrophobicContact CG-CG2 3.56Å; V125-I199 HydrophobicContact CG1-CB 4.32Å; V125-I199 HydrophobicContact CG1-CD1 3.96Å; V125-I199 HydrophobicContact CG1-CG2 3.67Å; K164-I199 HydrophobicContact CG-CD1 4.27Å; H195-I199 WeakPolarHBondContact O-CG1 3.35Å; H195-I199 PolarHBondContact O-N 3.27Å; R196-I199 PolarHBondContact O-N 3Å; R196-I199 VanDerWaalsContact O-N 3.1Å; I199-G201 PolarHBondContact O-N 3.28Å |
| 200 | M | 97 | Very high | 96.6 | Very high | 8 Ų | 8 | 49.1 Ų | 49.1 | 4% | 0.039 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 5 | 179.2 | -60.8 | -53.8 | -173.1 | 0 | 0 | 113.7 | V125 R196 Q202 E237 Y240 | V125-M200 HydrophobicContact CB-CE 3.69Å; V125-M200 HydrophobicContact CG1-CE 3.97Å; V125-M200 HydrophobicContact CG2-CE 4.38Å; R196-M200 HydrophobicContact CG-CG 4.34Å; R196-M200 WeakPolarHBondContact O-CG 3.48Å; R196-M200 PolarHBondContact O-N 3.37Å; M200-Q202 HydrophobicContact CB-CG 4.36Å; M200-Q202 PolarHBondContact O-N 2.77Å; M200-E237 HydrophobicContact CB-CB 4.37Å; M200-E237 HydrophobicContact CB-CG 4.03Å; M200-E237 HydrophobicContact CG-CG 4.25Å; M200-Y240 WeakPolarHBondContact O-CD2 3.48Å |
| 201 | G | 96.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | 15.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | K197 H198 I199 N203 V204 A205 | K197-G201 PolarHBondContact O-N 3.38Å; H198-G201 PolarHBondContact O-N 2.69Å; I199-G201 PolarHBondContact O-N 3.28Å; G201-N203 VanDerWaalsContact C-N 3.26Å; G201-N203 PolarHBondContact O-N 3.06Å; G201-V204 WeakPolarHBondContact O-CB 3.44Å; G201-V204 PolarHBondContact O-N 3.37Å; G201-A205 PolarHBondContact O-N 2.72Å; G201-A205 VanDerWaalsContact O-N 3.09Å |
| 202 | Q | 96.3 | Very high | 96.5 | Very high | 39 Ų | 39 | 48.1 Ų | 48.1 | 18% | 0.182 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.3 | -34.6 | 178.6 | -69.8 | -177.1 | -14.9 | 0 | 0 | 111.5 | K197 M200 V204 A205 D206 E237 | K197-Q202 HydrophobicContact CB-CB 4.05Å; K197-Q202 WeakPolarHBondContact O-CB 3.37Å; K197-Q202 PolarHBondContact O-N 3.45Å; M200-Q202 HydrophobicContact CB-CG 4.36Å; M200-Q202 PolarHBondContact O-N 2.77Å; Q202-V204 PolarHBondContact O-N 3.02Å; Q202-A205 CarbonylContact O-C 3.47Å; Q202-A205 WeakPolarHBondContact O-CA 3.39Å; Q202-A205 WeakPolarHBondContact O-CB 3.43Å; Q202-A205 PolarHBondContact O-N 3.22Å; Q202-D206 PolarHBondContact O-N 3.22Å; Q202-E237 PolarHBondContact NE2-OE2 3.38Å |
| 203 | N | 95.6 | Very high | 96.5 | Very high | 54 Ų | 54 | 54.7 Ų | 54.7 | 29% | 0.289 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61.7 | -29.8 | 174.6 | 67.8 | -47.9 | 0 | 0 | 0 | 113.4 | G201 Y207 | G201-N203 VanDerWaalsContact C-N 3.26Å; G201-N203 PolarHBondContact O-N 3.06Å; N203-Y207 WeakPolarHBondContact O-CB 2.95Å; N203-Y207 PolarHBondContact O-N 3.33Å |
| 204 | V | 96.6 | Very high | 96.5 | Very high | 20 Ų | 20 | 55.8 Ų | 55.8 | 12% | 0.121 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -76.9 | -40.4 | 173.3 | -178 | 0 | 0 | 0 | 0 | 109.8 | N94 G201 Q202 Y207 M208 F223 M236 | N94-V204 HydrophobicContact CB-CG2 4.33Å; G201-V204 WeakPolarHBondContact O-CB 3.44Å; G201-V204 PolarHBondContact O-N 3.37Å; Q202-V204 PolarHBondContact O-N 3.02Å; V204-Y207 PolarHBondContact O-N 3.26Å; V204-M208 HydrophobicContact CG1-SD 4.42Å; V204-M208 VanDerWaalsContact O-CG 3.28Å; V204-M208 WeakPolarHBondContact O-CG 3.5Å; V204-M208 PolarHBondContact O-N 3.32Å; V204-F223 HydrophobicContact CG1-CE1 3.93Å; V204-F223 HydrophobicContact CG1-CZ 4.5Å; V204-M236 HydrophobicContact CB-CE 3.88Å; V204-M236 HydrophobicContact CG1-CE 3.84Å |
| 205 | A | 97 | Very high | 96.5 | Very high | 4 Ų | 4 | 57 Ų | 57 | 3% | 0.033 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | G201 Q202 Y207 M208 R209 P233 M236 | G201-A205 PolarHBondContact O-N 2.72Å; G201-A205 VanDerWaalsContact O-N 3.09Å; Q202-A205 CarbonylContact O-C 3.47Å; Q202-A205 WeakPolarHBondContact O-CA 3.39Å; Q202-A205 WeakPolarHBondContact O-CB 3.43Å; Q202-A205 PolarHBondContact O-N 3.22Å; A205-Y207 VanDerWaalsContact C-N 3.33Å; A205-Y207 PolarHBondContact O-N 3.37Å; A205-M208 WeakPolarHBondContact O-CB 3.35Å; A205-M208 PolarHBondContact O-N 2.96Å; A205-M208 VanDerWaalsContact O-N 3.16Å; A205-R209 WeakPolarHBondContact O-CG 3.01Å; A205-R209 PolarHBondContact O-N 2.93Å; A205-P233 HydrophobicContact CB-CB 3.93Å; A205-P233 WeakPolarHBondContact CB-O 3.4Å; A205-M236 HydrophobicContact CB-CB 4.21Å; A205-M236 HydrophobicContact CB-CG 4.11Å |
| 206 | D | 96.8 | Very high | 96.4 | Very high | 76 Ų | 76 | 62.2 Ų | 62.2 | 41% | 0.406 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 178 | -63 | -27.2 | 0 | 0 | 0 | 111 | Q202 M208 R209 Y210 | Q202-D206 PolarHBondContact O-N 3.22Å; D206-M208 VanDerWaalsContact C-N 3.34Å; D206-M208 PolarHBondContact O-N 3.49Å; D206-R209 PolarHBondContact O-N 2.75Å; D206-R209 IonicContact OD1-NH1 2.62Å; D206-R209 PolarHBondContact OD1-NH1 3.35Å; D206-Y210 WeakPolarHBondContact O-CB 3.31Å; D206-Y210 PolarHBondContact O-N 3.09Å |
| 207 | Y | 97 | Very high | 96.3 | Very high | 102 Ų | 102 | 64.5 Ų | 64.5 | 40% | 0.4 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.8 | -32.3 | 175.1 | -177 | -123.7 | 0 | 0 | 0 | 112.8 | N203 V204 A205 Y210 L211 Q222 F223 | N203-Y207 WeakPolarHBondContact O-CB 2.95Å; N203-Y207 PolarHBondContact O-N 3.33Å; V204-Y207 PolarHBondContact O-N 3.26Å; A205-Y207 VanDerWaalsContact C-N 3.33Å; A205-Y207 PolarHBondContact O-N 3.37Å; Y207-Y210 HydrophobicContact CD2-CD1 4.17Å; Y207-Y210 HydrophobicContact CE2-CD1 4.27Å; Y207-L211 HydrophobicContact CD1-CD1 4.23Å; Y207-L211 HydrophobicContact CD2-CD1 4.4Å; Y207-L211 HydrophobicContact CD2-CG 4.31Å; Y207-L211 HydrophobicContact CE1-CD1 3.59Å; Y207-L211 HydrophobicContact CE1-CG 4.48Å; Y207-L211 HydrophobicContact CE2-CD1 3.82Å; Y207-L211 HydrophobicContact CE2-CD2 4.23Å; Y207-L211 HydrophobicContact CE2-CG 3.87Å; Y207-L211 WeakPolarHBondContact O-CG 3.33Å; Y207-L211 PolarHBondContact O-N 3.48Å; Y207-L211 WeakPolarHBondContact OH-CD1 3.35Å; Y207-Q222 VanDerWaalsContact CE1-OE1 3.28Å; Y207-Q222 PolarHBondContact OH-NE2 3.16Å; Y207-Q222 PolarHBondContact OH-OE1 3.26Å; Y207-F223 HydrophobicContact CD1-CE2 4.16Å; Y207-F223 AromaticContact CD1-CZ 3.74Å; Y207-F223 HydrophobicContact CD1-CZ 3.74Å; Y207-F223 HydrophobicContact CE1-CE2 4.26Å; Y207-F223 HydrophobicContact CE1-CZ 4.11Å |
| 208 | M | 96.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.6 | -47.1 | 170.1 | -72.7 | 172.7 | 72.6 | 0 | 0 | 111 | V204 A205 D206 L211 M212 Y219 F223 Y226 P233 | V204-M208 HydrophobicContact CG1-SD 4.42Å; V204-M208 VanDerWaalsContact O-CG 3.28Å; V204-M208 WeakPolarHBondContact O-CG 3.5Å; V204-M208 PolarHBondContact O-N 3.32Å; A205-M208 WeakPolarHBondContact O-CB 3.35Å; A205-M208 PolarHBondContact O-N 2.96Å; A205-M208 VanDerWaalsContact O-N 3.16Å; D206-M208 VanDerWaalsContact C-N 3.34Å; D206-M208 PolarHBondContact O-N 3.49Å; M208-L211 PolarHBondContact O-N 2.88Å; M208-M212 VanDerWaalsContact O-CG 3.22Å; M208-M212 WeakPolarHBondContact O-CG 3.43Å; M208-M212 PolarHBondContact O-N 3.41Å; M208-Y219 HydrophobicContact CB-CE2 4.02Å; M208-Y219 HydrophobicContact CE-CE2 3.87Å; M208-Y219 HydrophobicContact CG-CE2 4.17Å; M208-F223 HydrophobicContact CB-CE2 4.37Å; M208-F223 HydrophobicContact CB-CZ 4.41Å; M208-F223 HydrophobicContact CE-CD1 4.41Å; M208-F223 HydrophobicContact CE-CG 4.48Å; M208-F223 HydrophobicContact CG-CD1 3.68Å; M208-F223 HydrophobicContact CG-CD2 3.9Å; M208-F223 HydrophobicContact CG-CE1 3.41Å; M208-F223 VanDerWaalsContact CG-CE1 3.41Å; M208-F223 HydrophobicContact CG-CE2 3.61Å; M208-F223 HydrophobicContact CG-CG 3.91Å; M208-F223 HydrophobicContact CG-CZ 3.35Å; M208-F223 HydrophobicContact SD-CD1 4.01Å; M208-F223 HydrophobicContact SD-CE1 4.04Å; M208-Y226 HydrophobicContact CE-CD1 4.2Å; M208-Y226 HydrophobicContact CE-CG 4.37Å; M208-Y226 HydrophobicContact SD-CD1 4.16Å; M208-Y226 HydrophobicContact SD-CE1 4.44Å; M208-P233 HydrophobicContact CB-CB 4.4Å; M208-P233 HydrophobicContact CB-CG 3.72Å; M208-P233 HydrophobicContact CE-CG 4.05Å; M208-P233 HydrophobicContact SD-CG 4.4Å |
| 209 | R | 96.5 | Very high | 96.2 | Very high | 102 Ų | 102 | 60.6 Ų | 60.6 | 39% | 0.385 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.2 | -48.5 | 177.4 | -69.6 | 174.8 | -176 | 150 | -6.5 | 111.5 | A205 D206 L211 M212 E213 P233 D234 | A205-R209 WeakPolarHBondContact O-CG 3.01Å; A205-R209 PolarHBondContact O-N 2.93Å; D206-R209 PolarHBondContact O-N 2.75Å; D206-R209 IonicContact OD1-NH1 2.62Å; D206-R209 PolarHBondContact OD1-NH1 3.35Å; R209-L211 PolarHBondContact O-N 2.98Å; R209-M212 WeakPolarHBondContact O-CB 3.33Å; R209-M212 PolarHBondContact O-N 3.14Å; R209-M212 VanDerWaalsContact O-N 3.14Å; R209-E213 PolarHBondContact O-N 3.21Å; R209-P233 HydrophobicContact CG-CB 3.9Å; R209-P233 HydrophobicContact CG-CG 4.11Å; R209-D234 IonicContact CZ-OD1 2.81Å; R209-D234 IonicContact NE-OD1 3.84Å; R209-D234 IonicContact NH2-OD1 3.55Å; R209-D234 PolarHBondContact NH2-OD1 3.2Å |
| 210 | Y | 96.8 | Very high | 96.1 | Very high | 129 Ų | 129 | 64.9 Ų | 64.9 | 51% | 0.506 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -54.5 | -48.8 | 175.8 | 173.3 | -100.5 | 0 | 0 | 0 | 112.3 | D206 Y207 M212 E213 E214 | D206-Y210 WeakPolarHBondContact O-CB 3.31Å; D206-Y210 PolarHBondContact O-N 3.09Å; Y207-Y210 HydrophobicContact CD2-CD1 4.17Å; Y207-Y210 HydrophobicContact CE2-CD1 4.27Å; Y210-M212 PolarHBondContact O-N 2.83Å; Y210-E213 PolarHBondContact O-N 3.19Å; Y210-E214 HydrophobicContact CD2-CG 3.92Å; Y210-E214 HydrophobicContact CE1-CG 4.47Å; Y210-E214 HydrophobicContact CE2-CB 4.42Å; Y210-E214 HydrophobicContact CE2-CG 3.53Å; Y210-E214 WeakPolarHBondContact O-CB 3.2Å; Y210-E214 WeakPolarHBondContact O-CG 3.38Å; Y210-E214 PolarHBondContact O-N 2.84Å |
| 211 | L | 96.8 | Very high | 96.1 | Very high | 10 Ų | 10 | 72.7 Ų | 72.7 | 5% | 0.052 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -71.1 | -29 | 179.2 | -72.7 | 178.3 | 0 | 0 | 0 | 113.4 | Y207 M208 R209 E213 D215 E216 A218 Y219 F223 | Y207-L211 HydrophobicContact CD1-CD1 4.23Å; Y207-L211 HydrophobicContact CD2-CD1 4.4Å; Y207-L211 HydrophobicContact CD2-CG 4.31Å; Y207-L211 HydrophobicContact CE1-CD1 3.59Å; Y207-L211 HydrophobicContact CE1-CG 4.48Å; Y207-L211 HydrophobicContact CE2-CD1 3.82Å; Y207-L211 HydrophobicContact CE2-CD2 4.23Å; Y207-L211 HydrophobicContact CE2-CG 3.87Å; Y207-L211 WeakPolarHBondContact O-CG 3.33Å; Y207-L211 PolarHBondContact O-N 3.48Å; Y207-L211 WeakPolarHBondContact OH-CD1 3.35Å; M208-L211 PolarHBondContact O-N 2.88Å; R209-L211 PolarHBondContact O-N 2.98Å; L211-E213 PolarHBondContact O-N 3.07Å; L211-D215 HydrophobicContact CD2-CB 4.32Å; L211-D215 CarbonylContact O-C 2.94Å; L211-D215 PolarHBondContact O-N 2.78Å; L211-E216 PolarHBondContact O-N 2.9Å; L211-A218 HydrophobicContact CD2-CB 4.14Å; L211-Y219 HydrophobicContact CB-CD2 4.47Å; L211-F223 HydrophobicContact CD1-CD2 4.48Å; L211-F223 HydrophobicContact CD1-CE2 3.78Å |
| 212 | M | 93.9 | Very high | 96.1 | Very high | 93 Ų | 93 | 77.5 Ų | 77.5 | 46% | 0.458 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.3 | -32.3 | 174 | -74 | 172.3 | 64 | 0 | 0 | 112 | M208 R209 Y210 Y219 P233 | M208-M212 VanDerWaalsContact O-CG 3.22Å; M208-M212 WeakPolarHBondContact O-CG 3.43Å; M208-M212 PolarHBondContact O-N 3.41Å; R209-M212 WeakPolarHBondContact O-CB 3.33Å; R209-M212 PolarHBondContact O-N 3.14Å; R209-M212 VanDerWaalsContact O-N 3.14Å; Y210-M212 PolarHBondContact O-N 2.83Å; M212-Y219 HydrophobicContact CG-CD1 3.87Å; M212-Y219 HydrophobicContact CG-CD2 3.61Å; M212-Y219 HydrophobicContact CG-CE1 3.84Å; M212-Y219 HydrophobicContact CG-CE2 3.61Å; M212-Y219 HydrophobicContact CG-CG 3.75Å; M212-Y219 HydrophobicContact SD-CD2 4.49Å; M212-Y219 HydrophobicContact SD-CE1 4.27Å; M212-Y219 HydrophobicContact SD-CE2 3.9Å; M212-P233 HydrophobicContact SD-CG 4.09Å |
| 213 | E | 95.5 | Very high | 96.1 | Very high | 160 Ų | 160 | 76.2 Ų | 76.2 | 75% | 0.748 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -85 | -43.4 | 179 | -68.5 | 173.1 | -169.6 | 0 | 0 | 112.4 | R209 Y210 L211 | R209-E213 PolarHBondContact O-N 3.21Å; Y210-E213 PolarHBondContact O-N 3.19Å; L211-E213 PolarHBondContact O-N 3.07Å |
| 214 | E | 96.3 | Very high | 96.1 | Very high | 132 Ų | 132 | 76.3 Ų | 76.3 | 62% | 0.617 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -94.3 | -37.1 | -170.2 | -64.1 | -74.1 | 138 | 0 | 0 | 114.5 | Y210 | Y210-E214 HydrophobicContact CD2-CG 3.92Å; Y210-E214 HydrophobicContact CE1-CG 4.47Å; Y210-E214 HydrophobicContact CE2-CB 4.42Å; Y210-E214 HydrophobicContact CE2-CG 3.53Å; Y210-E214 WeakPolarHBondContact O-CB 3.2Å; Y210-E214 WeakPolarHBondContact O-CG 3.38Å; Y210-E214 PolarHBondContact O-N 2.84Å |
| 215 | D | 95.4 | Very high | 96.1 | Very high | 75 Ų | 75 | 80.6 Ų | 80.6 | 40% | 0.401 | 38% | 0.378 | S | S | . | . | trans | -151.5 | 83.2 | -173.9 | -173.7 | -13.3 | 0 | 0 | 0 | 111.4 | L211 D217 A218 Y219 | L211-D215 HydrophobicContact CD2-CB 4.32Å; L211-D215 CarbonylContact O-C 2.94Å; L211-D215 PolarHBondContact O-N 2.78Å; D215-D217 PolarHBondContact O-N 3.02Å; D215-D217 PolarHBondContact OD1-N 3.36Å; D215-A218 HydrophobicContact CB-CB 3.96Å; D215-A218 PolarHBondContact O-N 3.13Å; D215-A218 WeakPolarHBondContact OD1-CB 3.38Å; D215-A218 PolarHBondContact OD1-N 3.5Å; D215-A218 VanDerWaalsContact OD2-CB 3.24Å; D215-A218 WeakPolarHBondContact OD2-CB 3.36Å; D215-Y219 PolarHBondContact O-N 2.77Å | ||
| 216 | E | 94.9 | Very high | 96 | Very high | 110 Ų | 110 | 81.3 Ų | 81.3 | 51% | 0.514 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.9 | -30.9 | -177.9 | -159.9 | -163.2 | 164.3 | 0 | 0 | 112.4 | L211 Y219 K220 | L211-E216 PolarHBondContact O-N 2.9Å; E216-Y219 WeakPolarHBondContact O-CB 3.5Å; E216-Y219 PolarHBondContact O-N 2.91Å; E216-K220 WeakPolarHBondContact O-CG 3.32Å; E216-K220 PolarHBondContact O-N 3.09Å; E216-K220 WeakPolarHBondContact OE1-CE 3.46Å; E216-K220 IonicContact OE1-NZ 3.3Å; E216-K220 PolarHBondContact OE1-NZ 3.16Å; E216-K220 IonicContact OE2-NZ 2.71Å; E216-K220 PolarHBondContact OE2-NZ 3.45Å |
| 217 | D | 96.1 | Very high | 96 | Very high | 121 Ų | 121 | 81.6 Ų | 81.6 | 65% | 0.647 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -70.5 | -42.6 | 178.2 | -79 | -23.7 | 0 | 0 | 0 | 111.3 | D215 Y219 K220 K221 | D215-D217 PolarHBondContact O-N 3.02Å; D215-D217 PolarHBondContact OD1-N 3.36Å; D217-Y219 VanDerWaalsContact C-N 3.32Å; D217-K220 PolarHBondContact O-N 3.42Å; D217-K221 WeakPolarHBondContact O-CB 3.27Å; D217-K221 PolarHBondContact O-N 3.38Å |
| 218 | A | 96.4 | Very high | 95.9 | Very high | 13 Ų | 13 | 84.5 Ų | 84.5 | 11% | 0.107 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -62.1 | -40.2 | 171 | 0 | 0 | 0 | 0 | 0 | 111.6 | L211 D215 K221 Q222 | L211-A218 HydrophobicContact CD2-CB 4.14Å; D215-A218 HydrophobicContact CB-CB 3.96Å; D215-A218 PolarHBondContact O-N 3.13Å; D215-A218 WeakPolarHBondContact OD1-CB 3.38Å; D215-A218 PolarHBondContact OD1-N 3.5Å; D215-A218 VanDerWaalsContact OD2-CB 3.24Å; D215-A218 WeakPolarHBondContact OD2-CB 3.36Å; A218-K221 PolarHBondContact O-N 3.45Å; A218-Q222 WeakPolarHBondContact O-CB 3.38Å; A218-Q222 VanDerWaalsContact O-CG 3.3Å; A218-Q222 WeakPolarHBondContact O-CG 3.5Å; A218-Q222 PolarHBondContact O-N 3.08Å |
| 219 | Y | 95.9 | Very high | 95.9 | Very high | 25 Ų | 25 | 87.2 Ų | 87.2 | 10% | 0.098 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -58.6 | -54.1 | 174.5 | 175.7 | -105.7 | 0 | 0 | 0 | 111.6 | M208 L211 M212 D215 E216 D217 K221 Q222 F223 I227 | M208-Y219 HydrophobicContact CB-CE2 4.02Å; M208-Y219 HydrophobicContact CE-CE2 3.87Å; M208-Y219 HydrophobicContact CG-CE2 4.17Å; L211-Y219 HydrophobicContact CB-CD2 4.47Å; M212-Y219 HydrophobicContact CG-CD1 3.87Å; M212-Y219 HydrophobicContact CG-CD2 3.61Å; M212-Y219 HydrophobicContact CG-CE1 3.84Å; M212-Y219 HydrophobicContact CG-CE2 3.61Å; M212-Y219 HydrophobicContact CG-CG 3.75Å; M212-Y219 HydrophobicContact SD-CD2 4.49Å; M212-Y219 HydrophobicContact SD-CE1 4.27Å; M212-Y219 HydrophobicContact SD-CE2 3.9Å; D215-Y219 PolarHBondContact O-N 2.77Å; E216-Y219 WeakPolarHBondContact O-CB 3.5Å; E216-Y219 PolarHBondContact O-N 2.91Å; D217-Y219 VanDerWaalsContact C-N 3.32Å; Y219-K221 VanDerWaalsContact C-N 3.25Å; Y219-K221 PolarHBondContact O-N 3.29Å; Y219-Q222 PolarHBondContact O-N 2.91Å; Y219-F223 HydrophobicContact CD2-CB 4.2Å; Y219-F223 AromaticContact CD2-CD2 3.49Å; Y219-F223 HydrophobicContact CD2-CD2 3.49Å; Y219-F223 VanDerWaalsContact CD2-CD2 3.49Å; Y219-F223 HydrophobicContact CD2-CE2 4.22Å; Y219-F223 HydrophobicContact CD2-CG 4.19Å; Y219-F223 HydrophobicContact CE2-CB 3.96Å; Y219-F223 AromaticContact CE2-CD2 3.83Å; Y219-F223 HydrophobicContact CE2-CD2 3.83Å; Y219-F223 HydrophobicContact CE2-CG 4.11Å; Y219-F223 HydrophobicContact CG-CD2 4.42Å; Y219-F223 WeakPolarHBondContact O-CB 3.2Å; Y219-F223 PolarHBondContact O-N 2.96Å; Y219-I227 HydrophobicContact CD1-CD1 4.2Å; Y219-I227 HydrophobicContact CE1-CD1 3.79Å; Y219-I227 HydrophobicContact CE1-CG1 4.06Å |
| 220 | K | 95.6 | Very high | 95.8 | Very high | 90 Ų | 90 | 86.9 Ų | 86.9 | 39% | 0.391 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -55.6 | -40.3 | 178.1 | -75.1 | 168 | -176.6 | 157 | 0 | 111.9 | E216 D217 S224 I227 | E216-K220 WeakPolarHBondContact O-CG 3.32Å; E216-K220 PolarHBondContact O-N 3.09Å; E216-K220 WeakPolarHBondContact OE1-CE 3.46Å; E216-K220 IonicContact OE1-NZ 3.3Å; E216-K220 PolarHBondContact OE1-NZ 3.16Å; E216-K220 IonicContact OE2-NZ 2.71Å; E216-K220 PolarHBondContact OE2-NZ 3.45Å; D217-K220 PolarHBondContact O-N 3.42Å; K220-S224 VanDerWaalsContact O-CA 3.31Å; K220-S224 WeakPolarHBondContact O-CA 3.45Å; K220-S224 VanDerWaalsContact O-CB 3.25Å; K220-S224 WeakPolarHBondContact O-CB 3.36Å; K220-S224 PolarHBondContact O-N 2.8Å; K220-I227 HydrophobicContact CG-CD1 4.41Å |
| 221 | K | 96.5 | Very high | 95.7 | Very high | 172 Ų | 172 | 81.5 Ų | 81.5 | 75% | 0.748 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -70.4 | -54.6 | 179.6 | -175.6 | 178.5 | -179.6 | 178.6 | 0 | 112.5 | D217 A218 Y219 S224 | D217-K221 WeakPolarHBondContact O-CB 3.27Å; D217-K221 PolarHBondContact O-N 3.38Å; A218-K221 PolarHBondContact O-N 3.45Å; Y219-K221 VanDerWaalsContact C-N 3.25Å; Y219-K221 PolarHBondContact O-N 3.29Å; K221-S224 PolarHBondContact O-OG 3.13Å |
| 222 | Q | 95.6 | Very high | 95.5 | Very high | 100 Ų | 100 | 83.6 Ų | 83.6 | 47% | 0.467 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -71.3 | -40.5 | -172.9 | -66.4 | -178.8 | 39.5 | 0 | 0 | 111.8 | Y207 A218 Y219 | Y207-Q222 VanDerWaalsContact CE1-OE1 3.28Å; Y207-Q222 PolarHBondContact OH-NE2 3.16Å; Y207-Q222 PolarHBondContact OH-OE1 3.26Å; A218-Q222 WeakPolarHBondContact O-CB 3.38Å; A218-Q222 VanDerWaalsContact O-CG 3.3Å; A218-Q222 WeakPolarHBondContact O-CG 3.5Å; A218-Q222 PolarHBondContact O-N 3.08Å; Y219-Q222 PolarHBondContact O-N 2.91Å |
| 223 | F | 96.2 | Very high | 95.6 | Very high | 13 Ų | 13 | 79.6 Ų | 79.6 | 6% | 0.057 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 18 | -174.8 | -60.4 | -74.7 | 0 | 0 | 0 | 113.3 | V204 Y207 M208 L211 Y219 Q225 Y226 I227 | V204-F223 HydrophobicContact CG1-CE1 3.93Å; V204-F223 HydrophobicContact CG1-CZ 4.5Å; Y207-F223 HydrophobicContact CD1-CE2 4.16Å; Y207-F223 AromaticContact CD1-CZ 3.74Å; Y207-F223 HydrophobicContact CD1-CZ 3.74Å; Y207-F223 HydrophobicContact CE1-CE2 4.26Å; Y207-F223 HydrophobicContact CE1-CZ 4.11Å; M208-F223 HydrophobicContact CB-CE2 4.37Å; M208-F223 HydrophobicContact CB-CZ 4.41Å; M208-F223 HydrophobicContact CE-CD1 4.41Å; M208-F223 HydrophobicContact CE-CG 4.48Å; M208-F223 HydrophobicContact CG-CD1 3.68Å; M208-F223 HydrophobicContact CG-CD2 3.9Å; M208-F223 HydrophobicContact CG-CE1 3.41Å; M208-F223 VanDerWaalsContact CG-CE1 3.41Å; M208-F223 HydrophobicContact CG-CE2 3.61Å; M208-F223 HydrophobicContact CG-CG 3.91Å; M208-F223 HydrophobicContact CG-CZ 3.35Å; M208-F223 HydrophobicContact SD-CD1 4.01Å; M208-F223 HydrophobicContact SD-CE1 4.04Å; L211-F223 HydrophobicContact CD1-CD2 4.48Å; L211-F223 HydrophobicContact CD1-CE2 3.78Å; Y219-F223 HydrophobicContact CD2-CB 4.2Å; Y219-F223 AromaticContact CD2-CD2 3.49Å; Y219-F223 HydrophobicContact CD2-CD2 3.49Å; Y219-F223 VanDerWaalsContact CD2-CD2 3.49Å; Y219-F223 HydrophobicContact CD2-CE2 4.22Å; Y219-F223 HydrophobicContact CD2-CG 4.19Å; Y219-F223 HydrophobicContact CE2-CB 3.96Å; Y219-F223 AromaticContact CE2-CD2 3.83Å; Y219-F223 HydrophobicContact CE2-CD2 3.83Å; Y219-F223 HydrophobicContact CE2-CG 4.11Å; Y219-F223 HydrophobicContact CG-CD2 4.42Å; Y219-F223 WeakPolarHBondContact O-CB 3.2Å; Y219-F223 PolarHBondContact O-N 2.96Å; F223-Q225 PolarHBondContact O-N 3.17Å; F223-Y226 HydrophobicContact CB-CD2 4.16Å; F223-Y226 HydrophobicContact CB-CG 4.4Å; F223-Y226 AromaticContact CD1-CD2 3.63Å; F223-Y226 HydrophobicContact CD1-CD2 3.63Å; F223-Y226 AromaticContact CD1-CE2 3.77Å; F223-Y226 HydrophobicContact CD1-CE2 3.77Å; F223-Y226 HydrophobicContact CD1-CG 4.11Å; F223-Y226 HydrophobicContact CE1-CE2 4.34Å; F223-Y226 HydrophobicContact CG-CD2 4.39Å; F223-Y226 WeakPolarHBondContact O-CA 3.33Å; F223-Y226 WeakPolarHBondContact O-CB 3.4Å; F223-Y226 PolarHBondContact O-N 3.42Å; F223-I227 PolarHBondContact O-N 3.18Å |
| 224 | S | 96.3 | Very high | 95.6 | Very high | 56 Ų | 56 | 77.5 Ų | 77.5 | 39% | 0.392 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -46.5 | -39.4 | 176.5 | 52.8 | 0 | 0 | 0 | 0 | 114.2 | K220 K221 K228 | K220-S224 VanDerWaalsContact O-CA 3.31Å; K220-S224 WeakPolarHBondContact O-CA 3.45Å; K220-S224 VanDerWaalsContact O-CB 3.25Å; K220-S224 WeakPolarHBondContact O-CB 3.36Å; K220-S224 PolarHBondContact O-N 2.8Å; K221-S224 PolarHBondContact O-OG 3.13Å; S224-K228 WeakPolarHBondContact O-CB 3.28Å; S224-K228 PolarHBondContact O-N 3.3Å |
| 225 | Q | 95.8 | Very high | 95.5 | Very high | 109 Ų | 109 | 75.7 Ų | 75.7 | 51% | 0.509 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -72.9 | -31.9 | 176.7 | -64.4 | -59.7 | -39.9 | 0 | 0 | 113.2 | V90 F223 N229 | V90-Q225 HydrophobicContact CG1-CB 4.14Å; F223-Q225 PolarHBondContact O-N 3.17Å; Q225-N229 WeakPolarHBondContact O-CB 3.49Å; Q225-N229 PolarHBondContact O-N 2.97Å; Q225-N229 VanDerWaalsContact O-N 3.09Å; Q225-N229 PolarHBondContact O-ND2 2.99Å |
| 226 | Y | 96.3 | Very high | 95.4 | Very high | 20 Ų | 20 | 72.2 Ų | 72.2 | 8% | 0.078 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.6 | -45.3 | 174.9 | -70.8 | -107.5 | 0 | 0 | 0 | 110 | V90 G91 M208 F223 K228 N229 S230 V231 M236 | V90-Y226 HydrophobicContact CB-CD1 4.28Å; V90-Y226 HydrophobicContact CB-CD2 4.21Å; V90-Y226 HydrophobicContact CB-CE1 4.16Å; V90-Y226 HydrophobicContact CB-CE2 4.11Å; V90-Y226 HydrophobicContact CB-CG 4.3Å; V90-Y226 HydrophobicContact CG2-CD1 3.46Å; V90-Y226 VanDerWaalsContact CG2-CD1 3.46Å; V90-Y226 HydrophobicContact CG2-CD2 4.26Å; V90-Y226 HydrophobicContact CG2-CE1 3.38Å; V90-Y226 HydrophobicContact CG2-CE2 4.23Å; V90-Y226 HydrophobicContact CG2-CG 3.91Å; G91-Y226 WeakPolarHBondContact CA-OH 3.42Å; M208-Y226 HydrophobicContact CE-CD1 4.2Å; M208-Y226 HydrophobicContact CE-CG 4.37Å; M208-Y226 HydrophobicContact SD-CD1 4.16Å; M208-Y226 HydrophobicContact SD-CE1 4.44Å; F223-Y226 HydrophobicContact CB-CD2 4.16Å; F223-Y226 HydrophobicContact CB-CG 4.4Å; F223-Y226 AromaticContact CD1-CD2 3.63Å; F223-Y226 HydrophobicContact CD1-CD2 3.63Å; F223-Y226 AromaticContact CD1-CE2 3.77Å; F223-Y226 HydrophobicContact CD1-CE2 3.77Å; F223-Y226 HydrophobicContact CD1-CG 4.11Å; F223-Y226 HydrophobicContact CE1-CE2 4.34Å; F223-Y226 HydrophobicContact CG-CD2 4.39Å; F223-Y226 WeakPolarHBondContact O-CA 3.33Å; F223-Y226 WeakPolarHBondContact O-CB 3.4Å; F223-Y226 PolarHBondContact O-N 3.42Å; Y226-K228 VanDerWaalsContact C-N 3.34Å; Y226-K228 PolarHBondContact O-N 2.76Å; Y226-N229 CarbonylContact O-C 3.44Å; Y226-N229 PolarHBondContact O-N 2.78Å; Y226-N229 VanDerWaalsContact O-N 3.12Å; Y226-S230 PolarHBondContact O-N 3.09Å; Y226-V231 HydrophobicContact CD1-CB 4.03Å; Y226-V231 HydrophobicContact CD1-CG1 3.88Å; Y226-V231 HydrophobicContact CE1-CG1 4.46Å; Y226-V231 PolarHBondContact O-N 3.25Å; Y226-M236 HydrophobicContact CD1-SD 4.3Å; Y226-M236 HydrophobicContact CE1-CE 3.92Å; Y226-M236 HydrophobicContact CE1-SD 3.81Å |
| 227 | I | 95.2 | Very high | 95.4 | Very high | 81 Ų | 81 | 69.7 Ų | 69.7 | 42% | 0.415 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -57.3 | -48.4 | 174.2 | -60.5 | 169.6 | 0 | 0 | 0 | 110.2 | Y219 K220 F223 N229 S230 | Y219-I227 HydrophobicContact CD1-CD1 4.2Å; Y219-I227 HydrophobicContact CE1-CD1 3.79Å; Y219-I227 HydrophobicContact CE1-CG1 4.06Å; K220-I227 HydrophobicContact CG-CD1 4.41Å; F223-I227 PolarHBondContact O-N 3.18Å; I227-N229 PolarHBondContact O-N 3.09Å; I227-S230 PolarHBondContact O-N 3.12Å; I227-S230 VanDerWaalsContact O-N 3.09Å |
| 228 | K | 96.4 | Very high | 95.4 | Very high | 164 Ų | 164 | 69 Ų | 69 | 71% | 0.713 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -61.6 | -29.6 | 178.6 | -175.8 | 174.5 | 175.2 | 175 | 0 | 113.8 | S224 Y226 | S224-K228 WeakPolarHBondContact O-CB 3.28Å; S224-K228 PolarHBondContact O-N 3.3Å; Y226-K228 VanDerWaalsContact C-N 3.34Å; Y226-K228 PolarHBondContact O-N 2.76Å |
| 229 | N | 95.2 | Very high | 95.4 | Very high | 56 Ų | 56 | 69.5 Ų | 69.5 | 30% | 0.299 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 8 | 178.8 | -72.9 | -84 | 0 | 0 | 0 | 113 | V90 Q225 Y226 I227 V231 | V90-N229 HydrophobicContact CG1-CB 4.04Å; V90-N229 WeakPolarHBondContact CG1-ND2 3.35Å; Q225-N229 WeakPolarHBondContact O-CB 3.49Å; Q225-N229 PolarHBondContact O-N 2.97Å; Q225-N229 VanDerWaalsContact O-N 3.09Å; Q225-N229 PolarHBondContact O-ND2 2.99Å; Y226-N229 CarbonylContact O-C 3.44Å; Y226-N229 PolarHBondContact O-N 2.78Å; Y226-N229 VanDerWaalsContact O-N 3.12Å; I227-N229 PolarHBondContact O-N 3.09Å; N229-V231 VanDerWaalsContact C-N 3.26Å; N229-V231 HydrophobicContact CB-CG2 4.14Å; N229-V231 PolarHBondContact O-N 3.43Å |
| 230 | S | 94.1 | Very high | 95.4 | Very high | 96 Ų | 96 | 68.3 Ų | 68.3 | 67% | 0.671 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 37.1 | -178.2 | -51 | 0 | 0 | 0 | 0 | 114 | Y226 I227 | Y226-S230 PolarHBondContact O-N 3.09Å; I227-S230 PolarHBondContact O-N 3.12Å; I227-S230 VanDerWaalsContact O-N 3.09Å |
| 231 | V | 94.7 | Very high | 95.5 | Very high | 16 Ų | 16 | 70.8 Ų | 70.8 | 10% | 0.097 | 35% | 0.354 | C | S | . | . | trans | -95.7 | 110.6 | 176.6 | -178.6 | 0 | 0 | 0 | 0 | 108.9 | V90 Y226 N229 M236 M239 | V90-V231 HydrophobicContact CG2-CB 4.32Å; V90-V231 HydrophobicContact CG2-CG1 4.41Å; V90-V231 HydrophobicContact CG2-CG2 4.02Å; Y226-V231 HydrophobicContact CD1-CB 4.03Å; Y226-V231 HydrophobicContact CD1-CG1 3.88Å; Y226-V231 HydrophobicContact CE1-CG1 4.46Å; Y226-V231 PolarHBondContact O-N 3.25Å; N229-V231 VanDerWaalsContact C-N 3.26Å; N229-V231 HydrophobicContact CB-CG2 4.14Å; N229-V231 PolarHBondContact O-N 3.43Å; V231-M236 HydrophobicContact CG1-SD 3.75Å; V231-M239 HydrophobicContact CG1-CE 4.36Å; V231-M239 HydrophobicContact CG1-SD 4.36Å | ||
| 232 | T | 94.4 | Very high | 95.5 | Very high | 53 Ų | 53 | 68.6 Ų | 68.6 | 33% | 0.325 | 34% | 0.344 | S | S | . | . | trans | -92.4 | 162.7 | 176.1 | 65.2 | 0 | 0 | 0 | 0 | 111.3 | D234 M235 | T232-D234 PolarHBondContact O-N 3.06Å; T232-M235 PolarHBondContact O-N 3.29Å; T232-M235 VanDerWaalsContact O-N 3.16Å; T232-M235 WeakPolarHBondContact OG1-CG 3.47Å | ||
| 233 | P | 94.8 | Very high | 95.6 | Very high | 10 Ų | 10 | 63.8 Ų | 63.8 | 7% | 0.065 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -53.4 | -40.5 | 177.2 | -27.2 | 35.9 | 0 | 0 | 0 | 113.2 | A205 M208 R209 M212 M235 M236 | A205-P233 HydrophobicContact CB-CB 3.93Å; A205-P233 WeakPolarHBondContact CB-O 3.4Å; M208-P233 HydrophobicContact CB-CB 4.4Å; M208-P233 HydrophobicContact CB-CG 3.72Å; M208-P233 HydrophobicContact CE-CG 4.05Å; M208-P233 HydrophobicContact SD-CG 4.4Å; R209-P233 HydrophobicContact CG-CB 3.9Å; R209-P233 HydrophobicContact CG-CG 4.11Å; M212-P233 HydrophobicContact SD-CG 4.09Å; P233-M235 VanDerWaalsContact C-N 3.29Å; P233-M235 PolarHBondContact O-N 3.49Å; P233-M236 WeakPolarHBondContact O-CB 3.43Å; P233-M236 WeakPolarHBondContact O-CG 3.43Å; P233-M236 PolarHBondContact O-N 3.4Å |
| 234 | D | 95 | Very high | 95.6 | Very high | 115 Ų | 115 | 63.6 Ų | 63.6 | 62% | 0.615 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -70.1 | -26.4 | -176.5 | -52.8 | -43.1 | 0 | 0 | 0 | 112.9 | R209 T232 M236 | R209-D234 IonicContact CZ-OD1 2.81Å; R209-D234 IonicContact NE-OD1 3.84Å; R209-D234 IonicContact NH2-OD1 3.55Å; R209-D234 PolarHBondContact NH2-OD1 3.2Å; T232-D234 PolarHBondContact O-N 3.06Å; D234-M236 VanDerWaalsContact C-N 3.31Å; D234-M236 PolarHBondContact O-N 2.95Å |
| 235 | M | 94.8 | Very high | 95.7 | Very high | 95 Ų | 95 | 63.2 Ų | 63.2 | 47% | 0.468 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -80.1 | -10.3 | 178.6 | -67 | 176.9 | -175.6 | 0 | 0 | 113.4 | T232 P233 E238 M239 | T232-M235 PolarHBondContact O-N 3.29Å; T232-M235 VanDerWaalsContact O-N 3.16Å; T232-M235 WeakPolarHBondContact OG1-CG 3.47Å; P233-M235 VanDerWaalsContact C-N 3.29Å; P233-M235 PolarHBondContact O-N 3.49Å; M235-E238 PolarHBondContact O-N 3.32Å; M235-M239 WeakPolarHBondContact O-CB 3.48Å; M235-M239 PolarHBondContact O-N 3.14Å |
| 236 | M | 93.4 | Very high | 95.7 | Very high | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.6 | -48.5 | -171.3 | -72.9 | -71 | -80 | 0 | 0 | 112.7 | V204 A205 Y226 V231 P233 D234 E238 M239 Y240 | V204-M236 HydrophobicContact CB-CE 3.88Å; V204-M236 HydrophobicContact CG1-CE 3.84Å; A205-M236 HydrophobicContact CB-CB 4.21Å; A205-M236 HydrophobicContact CB-CG 4.11Å; Y226-M236 HydrophobicContact CD1-SD 4.3Å; Y226-M236 HydrophobicContact CE1-CE 3.92Å; Y226-M236 HydrophobicContact CE1-SD 3.81Å; V231-M236 HydrophobicContact CG1-SD 3.75Å; P233-M236 WeakPolarHBondContact O-CB 3.43Å; P233-M236 WeakPolarHBondContact O-CG 3.43Å; P233-M236 PolarHBondContact O-N 3.4Å; D234-M236 VanDerWaalsContact C-N 3.31Å; D234-M236 PolarHBondContact O-N 2.95Å; M236-E238 PolarHBondContact O-N 3Å; M236-M239 PolarHBondContact O-N 3.07Å; M236-M239 HydrophobicContact SD-CE 3.7Å; M236-Y240 HydrophobicContact CE-CE2 3.89Å; M236-Y240 WeakPolarHBondContact O-CD2 3.36Å; M236-Y240 PolarHBondContact O-N 3.25Å; M236-Y240 VanDerWaalsContact O-N 3.14Å |
| 237 | E | 94.5 | Very high | 95.8 | Very high | 58 Ų | 58 | 58.4 Ų | 58.4 | 27% | 0.271 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.4 | -43.1 | -178.9 | 176.6 | 163.6 | -166.8 | 0 | 0 | 111.4 | R196 M200 Q202 M239 Y240 K241 | R196-E237 IonicContact CZ-OE1 3.34Å; R196-E237 IonicContact NH1-OE1 2.76Å; R196-E237 PolarHBondContact NH1-OE1 2.86Å; R196-E237 IonicContact NH2-OE1 3.33Å; R196-E237 PolarHBondContact NH2-OE1 3.33Å; M200-E237 HydrophobicContact CB-CB 4.37Å; M200-E237 HydrophobicContact CB-CG 4.03Å; M200-E237 HydrophobicContact CG-CG 4.25Å; Q202-E237 PolarHBondContact NE2-OE2 3.38Å; E237-M239 PolarHBondContact O-N 2.92Å; E237-Y240 PolarHBondContact O-N 2.9Å; E237-K241 WeakPolarHBondContact O-CB 3.44Å; E237-K241 PolarHBondContact O-N 3.46Å |
| 238 | E | 95.5 | Very high | 95.8 | Very high | 105 Ų | 105 | 57.2 Ų | 57.2 | 49% | 0.491 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.4 | -41.5 | 178.3 | -167.1 | -173.5 | 179.7 | 0 | 0 | 111.7 | M235 M236 Y240 K241 K242 | M235-E238 PolarHBondContact O-N 3.32Å; M236-E238 PolarHBondContact O-N 3Å; E238-Y240 PolarHBondContact O-N 3.18Å; E238-K241 PolarHBondContact O-N 3.32Å; E238-K242 VanDerWaalsContact CD-NZ 3.35Å; E238-K242 HydrophobicContact CG-CD 4.25Å; E238-K242 WeakPolarHBondContact O-CB 3.41Å; E238-K242 WeakPolarHBondContact O-CG 3.47Å; E238-K242 PolarHBondContact O-N 3.11Å; E238-K242 WeakPolarHBondContact OE1-CE 3.47Å; E238-K242 IonicContact OE1-NZ 3.51Å; E238-K242 PolarHBondContact OE1-NZ 3.43Å |
| 239 | M | 96.8 | Very high | 95.7 | Very high | 24 Ų | 24 | 57 Ų | 57 | 12% | 0.118 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -57.9 | -48.3 | 176.3 | 179 | -175.9 | 59.8 | 0 | 0 | 111.4 | V231 M235 M236 E237 A243 | V231-M239 HydrophobicContact CG1-CE 4.36Å; V231-M239 HydrophobicContact CG1-SD 4.36Å; M235-M239 WeakPolarHBondContact O-CB 3.48Å; M235-M239 PolarHBondContact O-N 3.14Å; M236-M239 PolarHBondContact O-N 3.07Å; M236-M239 HydrophobicContact SD-CE 3.7Å; E237-M239 PolarHBondContact O-N 2.92Å; M239-A243 WeakPolarHBondContact O-CB 3.22Å; M239-A243 PolarHBondContact O-N 3.39Å |
| 240 | Y | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -70 | -38.5 | 179.1 | -73.7 | -63.5 | 0 | 0 | 0 | 112.5 | V88 N94 A96 M200 M236 E237 E238 K242 A243 H244 | V88-Y240 HydrophobicContact CG1-CE1 3.71Å; V88-Y240 HydrophobicContact CG2-CD1 3.97Å; V88-Y240 HydrophobicContact CG2-CE1 3.94Å; N94-Y240 PolarHBondContact ND2-OH 3.5Å; N94-Y240 PolarHBondContact OD1-OH 3.2Å; A96-Y240 HydrophobicContact CB-CD1 3.88Å; A96-Y240 HydrophobicContact CB-CD2 3.97Å; A96-Y240 HydrophobicContact CB-CE1 3.5Å; A96-Y240 VanDerWaalsContact CB-CE1 3.5Å; A96-Y240 HydrophobicContact CB-CE2 3.6Å; A96-Y240 HydrophobicContact CB-CG 4.11Å; M200-Y240 WeakPolarHBondContact O-CD2 3.48Å; M236-Y240 HydrophobicContact CE-CE2 3.89Å; M236-Y240 WeakPolarHBondContact O-CD2 3.36Å; M236-Y240 PolarHBondContact O-N 3.25Å; M236-Y240 VanDerWaalsContact O-N 3.14Å; E237-Y240 PolarHBondContact O-N 2.9Å; E238-Y240 PolarHBondContact O-N 3.18Å; Y240-K242 PolarHBondContact O-N 3.15Å; Y240-A243 WeakPolarHBondContact O-CB 3.3Å; Y240-A243 PolarHBondContact O-N 3.48Å; Y240-H244 PolarHBondContact O-CD2 3.42Å; Y240-H244 VanDerWaalsContact O-CD2 3.22Å; Y240-H244 PolarHBondContact O-N 3.06Å; Y240-H244 PolarHBondContact O-ND1 2.77Å |
| 241 | K | 96.5 | Very high | 95.6 | Very high | 143 Ų | 143 | 53.9 Ų | 53.9 | 62% | 0.622 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -59.7 | -46.5 | 174.8 | -168.7 | 178.4 | -177.2 | 179.8 | 0 | 111.6 | E237 E238 A243 H244 A245 | E237-K241 WeakPolarHBondContact O-CB 3.44Å; E237-K241 PolarHBondContact O-N 3.46Å; E238-K241 PolarHBondContact O-N 3.32Å; K241-A243 VanDerWaalsContact C-N 3.34Å; K241-A243 PolarHBondContact O-N 3.18Å; K241-H244 PolarHBondContact O-N 3.04Å; K241-A245 PolarHBondContact O-N 3Å |
| 242 | K | 96.5 | Very high | 95.4 | Very high | 125 Ų | 125 | 56.7 Ų | 56.7 | 54% | 0.543 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.6 | -41.2 | 174.2 | -74.4 | 177.5 | -178.9 | 168.6 | 0 | 111.8 | E238 Y240 H244 A245 A246 | E238-K242 VanDerWaalsContact CD-NZ 3.35Å; E238-K242 HydrophobicContact CG-CD 4.25Å; E238-K242 WeakPolarHBondContact O-CB 3.41Å; E238-K242 WeakPolarHBondContact O-CG 3.47Å; E238-K242 PolarHBondContact O-N 3.11Å; E238-K242 WeakPolarHBondContact OE1-CE 3.47Å; E238-K242 IonicContact OE1-NZ 3.51Å; E238-K242 PolarHBondContact OE1-NZ 3.43Å; Y240-K242 PolarHBondContact O-N 3.15Å; K242-H244 VanDerWaalsContact C-N 3.34Å; K242-H244 PolarHBondContact O-N 3.01Å; K242-A245 PolarHBondContact O-N 2.98Å; K242-A246 WeakPolarHBondContact O-CB 3.43Å; K242-A246 PolarHBondContact O-N 3.38Å |
| 243 | A | 97.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.2 | -40.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y86 V88 M239 Y240 K241 A245 A246 I247 | Y86-A243 VanDerWaalsContact O-CA 3.25Å; Y86-A243 WeakPolarHBondContact O-CA 3.31Å; Y86-A243 VanDerWaalsContact O-CB 3.28Å; Y86-A243 WeakPolarHBondContact O-CB 3.41Å; V88-A243 HydrophobicContact CG2-CB 3.48Å; V88-A243 VanDerWaalsContact CG2-CB 3.48Å; M239-A243 WeakPolarHBondContact O-CB 3.22Å; M239-A243 PolarHBondContact O-N 3.39Å; Y240-A243 WeakPolarHBondContact O-CB 3.3Å; Y240-A243 PolarHBondContact O-N 3.48Å; K241-A243 VanDerWaalsContact C-N 3.34Å; K241-A243 PolarHBondContact O-N 3.18Å; A243-A245 VanDerWaalsContact C-N 3.33Å; A243-A245 PolarHBondContact O-N 3.21Å; A243-A246 PolarHBondContact O-N 3.01Å; A243-I247 WeakPolarHBondContact O-CB 3.29Å; A243-I247 WeakPolarHBondContact O-CD1 3.49Å; A243-I247 WeakPolarHBondContact O-CG1 3.24Å; A243-I247 PolarHBondContact O-N 2.89Å |
| 244 | H | 97.5 | Very high | 94.7 | Very high | 9 Ų | 9 | 65 Ų | 65 | 4% | 0.042 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.7 | -38.1 | 177.3 | -60.7 | 161.8 | 0 | 0 | 0 | 112.7 | Y99 C100 L103 Y240 K241 K242 R248 | Y99-H244 AromaticContact CD1-CE1 3.82Å; Y99-H244 AromaticContact CD1-NE2 3.39Å; Y99-H244 WeakPolarHBondContact CD1-NE2 3.39Å; Y99-H244 AromaticContact CE1-CD2 3.94Å; Y99-H244 AromaticContact CE1-CE1 3.55Å; Y99-H244 AromaticContact CE1-NE2 3.44Å; Y99-H244 WeakPolarHBondContact CE1-NE2 3.37Å; C100-H244 PolarHBondContact SG-NE2 3.07Å; C100-H244 VanDerWaalsContact SG-NE2 3.36Å; L103-H244 HydrophobicContact CD2-CB 4.06Å; Y240-H244 PolarHBondContact O-CD2 3.42Å; Y240-H244 VanDerWaalsContact O-CD2 3.22Å; Y240-H244 PolarHBondContact O-N 3.06Å; Y240-H244 PolarHBondContact O-ND1 2.77Å; K241-H244 PolarHBondContact O-N 3.04Å; K242-H244 VanDerWaalsContact C-N 3.34Å; K242-H244 PolarHBondContact O-N 3.01Å; H244-R248 WeakPolarHBondContact O-CG 3.45Å; H244-R248 PolarHBondContact O-N 2.9Å; H244-R248 PolarHBondContact O-NH1 3.37Å |
| 245 | A | 96.9 | Very high | 94.3 | Very high | 47 Ų | 47 | 68.2 Ų | 68.2 | 39% | 0.388 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -67.8 | -51.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | K241 K242 A243 I247 R248 E249 | K241-A245 PolarHBondContact O-N 3Å; K242-A245 PolarHBondContact O-N 2.98Å; A243-A245 VanDerWaalsContact C-N 3.33Å; A243-A245 PolarHBondContact O-N 3.21Å; A245-I247 VanDerWaalsContact C-N 3.28Å; A245-I247 PolarHBondContact O-N 3.45Å; A245-R248 WeakPolarHBondContact O-CA 3.35Å; A245-R248 WeakPolarHBondContact O-CB 2.96Å; A245-R248 PolarHBondContact O-N 3.36Å; A245-E249 PolarHBondContact O-N 3.25Å |
| 246 | A | 97.2 | Very high | 94 | Very high | 28 Ų | 28 | 71.5 Ų | 71.5 | 23% | 0.231 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -60 | -35.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y86 K242 A243 E249 N250 | Y86-A246 HydrophobicContact CD1-CB 3.95Å; K242-A246 WeakPolarHBondContact O-CB 3.43Å; K242-A246 PolarHBondContact O-N 3.38Å; A243-A246 PolarHBondContact O-N 3.01Å; A246-E249 PolarHBondContact O-N 2.72Å; A246-N250 PolarHBondContact O-N 3.22Å; A246-N250 VanDerWaalsContact O-N 3.07Å |
| 247 | I | 97.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.9 | -38.9 | 174.4 | -73.1 | 165.7 | 0 | 0 | 0 | 111.5 | L83 Y86 C100 L103 L104 A243 A245 | L83-I247 HydrophobicContact CD2-CD1 4.16Å; Y86-I247 HydrophobicContact CD1-CB 4.45Å; Y86-I247 HydrophobicContact CD1-CG1 3.74Å; Y86-I247 HydrophobicContact CD2-CG1 3.86Å; Y86-I247 HydrophobicContact CE1-CG1 4.13Å; Y86-I247 HydrophobicContact CE2-CG1 4.25Å; Y86-I247 HydrophobicContact CG-CD1 4.47Å; Y86-I247 HydrophobicContact CG-CG1 3.58Å; C100-I247 HydrophobicContact CB-CD1 4Å; L103-I247 HydrophobicContact CD2-CB 4.38Å; L103-I247 HydrophobicContact CD2-CD1 4.41Å; L103-I247 HydrophobicContact CD2-CG2 4.14Å; L103-I247 HydrophobicContact CG-CG2 3.89Å; L104-I247 HydrophobicContact CB-CD1 4.4Å; L104-I247 HydrophobicContact CB-CG2 3.98Å; L104-I247 HydrophobicContact CD1-CG2 3.99Å; A243-I247 WeakPolarHBondContact O-CB 3.29Å; A243-I247 WeakPolarHBondContact O-CD1 3.49Å; A243-I247 WeakPolarHBondContact O-CG1 3.24Å; A243-I247 PolarHBondContact O-N 2.89Å; A245-I247 VanDerWaalsContact C-N 3.28Å; A245-I247 PolarHBondContact O-N 3.45Å |
| 248 | R | 95.6 | Very high | 93.5 | Very high | 56 Ų | 56 | 84 Ų | 84 | 21% | 0.211 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -69.3 | -40.7 | 177.6 | -76.7 | -179.3 | 169 | 69.4 | -0.3 | 111.5 | R107 Q122 D168 H244 A245 | R107-R248 HydrophobicContact CG-CG 4.39Å; Q122-R248 PolarHBondContact O-NH2 3.15Å; D168-R248 PolarHBondContact O-NH2 3.01Å; H244-R248 WeakPolarHBondContact O-CG 3.45Å; H244-R248 PolarHBondContact O-N 2.9Å; H244-R248 PolarHBondContact O-NH1 3.37Å; A245-R248 WeakPolarHBondContact O-CA 3.35Å; A245-R248 WeakPolarHBondContact O-CB 2.96Å; A245-R248 PolarHBondContact O-N 3.36Å |
| 249 | E | 95.3 | Very high | 93.2 | Very high | 161 Ų | 161 | 87.7 Ų | 87.7 | 75% | 0.752 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -64 | -45 | 178.4 | -70.8 | 171.9 | -173 | 0 | 0 | 112.5 | A245 A246 | A245-E249 PolarHBondContact O-N 3.25Å; A246-E249 PolarHBondContact O-N 2.72Å |
| 250 | N | 93.6 | Very high | 92.7 | Very high | 77 Ų | 77 | 96.1 Ų | 96.1 | 41% | 0.412 | 46% | 0.457 | S | S | . | . | trans | -138.5 | 84 | -178.5 | -172 | 2 | 0 | 0 | 0 | 113.4 | Y86 A246 V252 | Y86-N250 WeakPolarHBondContact CE1-O 3.33Å; Y86-N250 PolarHBondContact OH-O 3.18Å; A246-N250 PolarHBondContact O-N 3.22Å; A246-N250 VanDerWaalsContact O-N 3.07Å; N250-V252 VanDerWaalsContact C-N 3.25Å; N250-V252 PolarHBondContact O-N 2.84Å; N250-V252 WeakPolarHBondContact OD1-CB 3.25Å; N250-V252 PolarHBondContact OD1-N 2.77Å | ||
| 251 | P | 92.8 | Very high | 92.2 | Very high | 8 Ų | 8 | 101.2 Ų | 101.2 | 5% | 0.052 | 49% | 0.489 | C | S | . | . | trans | -82.4 | 0.5 | 177.8 | 33.7 | -36.3 | 0 | 0 | 0 | 113.7 | L104 R107 R108 N111 | L104-P251 HydrophobicContact CD1-CB 4.49Å; R107-P251 HydrophobicContact CB-CB 3.65Å; R107-P251 HydrophobicContact CB-CG 4.16Å; R108-P251 HydrophobicContact CB-CB 4.29Å; R108-P251 WeakPolarHBondContact CB-O 3.44Å; R108-P251 WeakPolarHBondContact CG-O 3.36Å; R108-P251 PolarHBondContact NE-O 3.05Å; N111-P251 HydrophobicContact CB-CG 4.09Å | ||
| 252 | V | 90.5 | Very high | 91.7 | Very high | 76 Ų | 76 | 104 Ų | 104 | 46% | 0.461 | 50% | 0.5 | S | S | . | . | trans | -67.1 | 137.4 | -166.6 | -178.4 | 0 | 0 | 0 | 0 | 111.6 | N250 E254 | N250-V252 VanDerWaalsContact C-N 3.25Å; N250-V252 PolarHBondContact O-N 2.84Å; N250-V252 WeakPolarHBondContact OD1-CB 3.25Å; N250-V252 PolarHBondContact OD1-N 2.77Å; V252-E254 PolarHBondContact O-N 3.35Å | ||
| 253 | Y | 89.6 | Confident | 91.2 | Very high | 121 Ų | 121 | 107.8 Ų | 107.8 | 48% | 0.475 | 52% | 0.517 | S | S | . | . | trans | -83.8 | 114.6 | 174.7 | 179.3 | -105.7 | 0 | 0 | 0 | 111.5 | K255 | Y253-K255 HydrophobicContact CD1-CG 4.16Å; Y253-K255 HydrophobicContact CE1-CG 3.88Å | ||
| 254 | E | 85.5 | Confident | 90.7 | Very high | 116 Ų | 116 | 115.4 Ų | 115.4 | 54% | 0.542 | 55% | 0.55 | S | S | . | * | P | Polyproline II helix | trans | -83.7 | 117.8 | 172.6 | -65.4 | 172.9 | 165.9 | 0 | 0 | 111.2 | K85 V252 K256 | K85-E254 IonicContact NZ-OE2 3.66Å; K85-E254 PolarHBondContact NZ-OE2 3.46Å; V252-E254 PolarHBondContact O-N 3.35Å; E254-K256 PolarHBondContact O-N 3.06Å |
| 255 | K | 86.6 | Confident | 90.1 | Very high | 182 Ų | 182 | 123.2 Ų | 123.2 | 79% | 0.791 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 124.3 | 174.3 | -71.2 | 179.6 | -176.5 | 171.7 | 0 | 109.9 | Y253 | Y253-K255 HydrophobicContact CD1-CG 4.16Å; Y253-K255 HydrophobicContact CE1-CG 3.88Å |
| 256 | K | 87.4 | Confident | 89.7 | Confident | 164 Ų | 164 | 131.6 Ų | 131.6 | 71% | 0.713 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 143 | 170.8 | -68.1 | -178.4 | 179.7 | 175.5 | 0 | 110.2 | E254 | E254-K256 PolarHBondContact O-N 3.06Š|
| 257 | P | 89.6 | Confident | 89.4 | Confident | 112 Ų | 112 | 136.5 Ų | 136.5 | 73% | 0.727 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 143.8 | 177 | 25.5 | -33.9 | 0 | 0 | 0 | 110.8 | K259 | P257-K259 PolarHBondContact O-N 3.38Š|
| 258 | K | 89.1 | Confident | 89 | Confident | 210 Ų | 210 | 147.3 Ų | 147.3 | 91% | 0.913 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 120.8 | 175.9 | -67.5 | -178.6 | -177 | 173.9 | 0 | 108.5 | ||
| 259 | K | 87.9 | Confident | 88.7 | Confident | 182 Ų | 182 | 149 Ų | 149 | 79% | 0.791 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 123.6 | 172.9 | -64.5 | -173 | 178.3 | -171.9 | 0 | 109.5 | P257 V261 | P257-K259 PolarHBondContact O-N 3.38Å; K259-V261 HydrophobicContact CB-CG2 4.09Å; K259-V261 PolarHBondContact O-N 3.4Å |
| 260 | E | 87.2 | Confident | 88.7 | Confident | 201 Ų | 201 | 150.8 Ų | 150.8 | 94% | 0.939 | 69% | 0.688 | S | S | * | * | trans | -77.3 | 110.5 | 168.6 | -64.9 | -169.2 | 172.3 | 0 | 0 | 109.3 | ||||
| 261 | V | 85.9 | Confident | 88.6 | Confident | 108 Ų | 108 | 151 Ų | 151 | 66% | 0.655 | 69% | 0.687 | S | S | * | * | trans | -120.9 | 122.6 | -178.7 | -177.7 | 0 | 0 | 0 | 0 | 109.2 | K259 K263 | K259-V261 HydrophobicContact CB-CG2 4.09Å; K259-V261 PolarHBondContact O-N 3.4Å; V261-K263 PolarHBondContact O-N 3.29Å | ||
| 262 | K | 86.5 | Confident | 88.8 | Confident | 200 Ų | 200 | 153.4 Ų | 153.4 | 87% | 0.87 | 70% | 0.704 | S | S | * | * | trans | -63.1 | 107.6 | 168.9 | -72.3 | -175.1 | -179.7 | 178.6 | 0 | 109 | K264 | K262-K264 PolarHBondContact O-N 3.21Š| ||
| 263 | K | 85.4 | Confident | 89.1 | Confident | 205 Ų | 205 | 155.5 Ų | 155.5 | 89% | 0.891 | 71% | 0.712 | S | S | * | * | trans | -71.6 | 100.6 | -179.3 | -67.5 | 178.4 | -177.3 | 172.5 | 0 | 110.2 | V261 | V261-K263 PolarHBondContact O-N 3.29Š| ||
| 264 | K | 86.9 | Confident | 89.4 | Confident | 160 Ų | 160 | 153 Ų | 153 | 70% | 0.696 | 72% | 0.716 | S | S | * | * | trans | -74.9 | 136 | 166.7 | -66.1 | -171.7 | -179 | -178.1 | 0 | 109.8 | K262 W266 | K262-K264 PolarHBondContact O-N 3.21Å; K264-W266 HydrophobicContact CB-CZ2 4.49Å | ||
| 265 | R | 85.5 | Confident | 90 | Very high | 173 Ų | 173 | 152.7 Ų | 152.7 | 65% | 0.653 | 72% | 0.715 | S | S | * | * | trans | -92.2 | 113 | 175.5 | -174.2 | -175.2 | 177.2 | 152.8 | 13 | 109.6 | N267 R268 | R265-N267 WeakPolarHBondContact CD-O 3.28Å; R265-N267 VanDerWaalsContact CG-O 3.29Å; R265-N267 WeakPolarHBondContact CG-O 3.29Å; R265-N267 PolarHBondContact NE-O 3.22Å; R265-R268 PolarHBondContact NH2-O 3.06Å | ||
| 266 | W | 88.7 | Confident | 90.5 | Very high | 224 Ų | 224 | 149.1 Ų | 149.1 | 85% | 0.848 | 70% | 0.699 | S | S | * | * | trans | -83.4 | -31 | 176.6 | -55.8 | 105.2 | 0 | 0 | 0 | 113 | K264 | K264-W266 HydrophobicContact CB-CZ2 4.49Š| ||
| 267 | N | 91.2 | Very high | 90.9 | Very high | 130 Ų | 130 | 147.9 Ų | 147.9 | 70% | 0.695 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -84 | 133.6 | -177.9 | -67.3 | -20.4 | 0 | 0 | 0 | 111 | R265 | R265-N267 WeakPolarHBondContact CD-O 3.28Å; R265-N267 VanDerWaalsContact CG-O 3.29Å; R265-N267 WeakPolarHBondContact CG-O 3.29Å; R265-N267 PolarHBondContact NE-O 3.22Å |
| 268 | R | 88.6 | Confident | 91.3 | Very high | 228 Ų | 228 | 146.8 Ų | 146.8 | 86% | 0.86 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 142.9 | 173.6 | -67.3 | -175.4 | 178.7 | -174.4 | -0.3 | 111.4 | R265 | R265-R268 PolarHBondContact NH2-O 3.06Š|
| 269 | P | 89.7 | Confident | 91.6 | Very high | 90 Ų | 90 | 143 Ų | 143 | 58% | 0.584 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 148.2 | 168.8 | 25.3 | -31.7 | 0 | 0 | 0 | 111.3 | M271 | P269-M271 PolarHBondContact O-N 2.88Š|
| 270 | K | 93.6 | Very high | 92 | Very high | 200 Ų | 200 | 138.1 Ų | 138.1 | 87% | 0.87 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -63 | 127.2 | 170.5 | -74.2 | -175.6 | 177.9 | 178.1 | 0 | 107.2 | ||
| 271 | M | 93.5 | Very high | 92.4 | Very high | 82 Ų | 82 | 131.2 Ų | 131.2 | 40% | 0.404 | 62% | 0.624 | S | S | . | * | P | Polyproline II helix | trans | -61.7 | 138.8 | 175.2 | -66.1 | -178.3 | -65.6 | 0 | 0 | 110.2 | P269 Q275 K276 | P269-M271 PolarHBondContact O-N 2.88Å; M271-Q275 HydrophobicContact CB-CB 4.24Å; M271-K276 HydrophobicContact CB-CG 3.95Å; M271-K276 HydrophobicContact CE-CG 4.1Å; M271-K276 WeakPolarHBondContact O-CE 3.34Å |
| 272 | S | 96.4 | Very high | 92.9 | Very high | 57 Ų | 57 | 131.3 Ų | 131.3 | 40% | 0.399 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -65.2 | 162.5 | 171.9 | 74.9 | 0 | 0 | 0 | 0 | 110.7 | A274 Q275 K276 | S272-A274 VanDerWaalsContact C-N 3.26Å; S272-A274 PolarHBondContact O-N 3.28Å; S272-Q275 PolarHBondContact O-N 3Å; S272-Q275 WeakPolarHBondContact OG-CG 3.39Å; S272-Q275 PolarHBondContact OG-N 3.3Å; S272-K276 WeakPolarHBondContact O-CG 3.4Å; S272-K276 PolarHBondContact O-N 3.21Å |
| 273 | L | 96.5 | Very high | 93.4 | Very high | 121 Ų | 121 | 128 Ų | 128 | 63% | 0.634 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -60.1 | -39.3 | 176.1 | -179.2 | 61.9 | 0 | 0 | 0 | 111.4 | K276 K277 | L273-K276 PolarHBondContact O-N 3.12Å; L273-K277 WeakPolarHBondContact O-CG 3.42Å; L273-K277 PolarHBondContact O-N 3.05Å |
| 274 | A | 96.6 | Very high | 94 | Very high | 69 Ų | 69 | 125.2 Ų | 125.2 | 57% | 0.57 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -60.7 | -50.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S272 K276 K277 D278 | S272-A274 VanDerWaalsContact C-N 3.26Å; S272-A274 PolarHBondContact O-N 3.28Å; A274-K276 VanDerWaalsContact C-N 3.26Å; A274-K276 PolarHBondContact O-N 3.27Å; A274-K277 PolarHBondContact O-N 2.92Å; A274-K277 VanDerWaalsContact O-N 3.14Å; A274-D278 WeakPolarHBondContact O-CB 3.34Å; A274-D278 PolarHBondContact O-N 3.14Å |
| 275 | Q | 96.7 | Very high | 94.4 | Very high | 108 Ų | 108 | 119.8 Ų | 119.8 | 51% | 0.505 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -58.7 | -37.2 | 176.3 | -72.9 | 171.8 | -24.4 | 0 | 0 | 112.4 | M271 S272 R279 | M271-Q275 HydrophobicContact CB-CB 4.24Å; S272-Q275 PolarHBondContact O-N 3Å; S272-Q275 WeakPolarHBondContact OG-CG 3.39Å; S272-Q275 PolarHBondContact OG-N 3.3Å; Q275-R279 VanDerWaalsContact O-CB 3.28Å; Q275-R279 WeakPolarHBondContact O-CB 3.46Å; Q275-R279 PolarHBondContact O-N 2.98Å |
| 276 | K | 97 | Very high | 94.9 | Very high | 107 Ų | 107 | 114.6 Ų | 114.6 | 47% | 0.465 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.2 | -44.2 | 176.1 | -71.5 | 175.6 | -174.9 | 176.4 | 0 | 112.1 | M271 S272 L273 A274 V280 | M271-K276 HydrophobicContact CB-CG 3.95Å; M271-K276 HydrophobicContact CE-CG 4.1Å; M271-K276 WeakPolarHBondContact O-CE 3.34Å; S272-K276 WeakPolarHBondContact O-CG 3.4Å; S272-K276 PolarHBondContact O-N 3.21Å; L273-K276 PolarHBondContact O-N 3.12Å; A274-K276 VanDerWaalsContact C-N 3.26Å; A274-K276 PolarHBondContact O-N 3.27Å; K276-V280 WeakPolarHBondContact O-CG2 3.47Å; K276-V280 PolarHBondContact O-N 3.28Å; K276-V280 VanDerWaalsContact O-N 3.12Å |
| 277 | K | 97 | Very high | 95.2 | Very high | 139 Ų | 139 | 109.9 Ų | 109.9 | 60% | 0.604 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -64.1 | -47.9 | 179.2 | -75.6 | -176.5 | 175.2 | -173.7 | 0 | 111.2 | L273 A274 R279 V280 A281 | L273-K277 WeakPolarHBondContact O-CG 3.42Å; L273-K277 PolarHBondContact O-N 3.05Å; A274-K277 PolarHBondContact O-N 2.92Å; A274-K277 VanDerWaalsContact O-N 3.14Å; K277-R279 PolarHBondContact O-N 2.96Å; K277-V280 PolarHBondContact O-N 3.12Å; K277-V280 VanDerWaalsContact O-N 3.12Å; K277-A281 PolarHBondContact O-N 2.88Å |
| 278 | D | 97 | Very high | 95.4 | Very high | 88 Ų | 88 | 108.2 Ų | 108.2 | 47% | 0.471 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -57.3 | -48.7 | 176.7 | 174.4 | 50.9 | 0 | 0 | 0 | 111.5 | A274 V280 A281 Q282 | A274-D278 WeakPolarHBondContact O-CB 3.34Å; A274-D278 PolarHBondContact O-N 3.14Å; D278-V280 VanDerWaalsContact C-N 3.27Å; D278-V280 PolarHBondContact O-N 3.07Å; D278-A281 WeakPolarHBondContact O-CB 3.41Å; D278-A281 PolarHBondContact O-N 3.1Å; D278-A281 VanDerWaalsContact O-N 3.07Å; D278-Q282 VanDerWaalsContact CG-NE2 3.28Å; D278-Q282 WeakPolarHBondContact O-CG 3.35Å; D278-Q282 PolarHBondContact O-N 3.07Å; D278-Q282 PolarHBondContact OD1-NE2 2.98Å; D278-Q282 VanDerWaalsContact OD1-NE2 3.1Å; D278-Q282 PolarHBondContact OD2-NE2 3.19Å |
| 279 | R | 95.4 | Very high | 95.6 | Very high | 130 Ų | 130 | 104.2 Ų | 104.2 | 49% | 0.491 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -57.5 | -37.8 | 175.4 | -172.3 | 179.3 | -173.8 | -163.5 | 0.3 | 113.4 | Q275 K277 K283 | Q275-R279 VanDerWaalsContact O-CB 3.28Å; Q275-R279 WeakPolarHBondContact O-CB 3.46Å; Q275-R279 PolarHBondContact O-N 2.98Å; K277-R279 PolarHBondContact O-N 2.96Å; R279-K283 WeakPolarHBondContact O-CB 3.28Å; R279-K283 WeakPolarHBondContact O-CG 3.45Å; R279-K283 PolarHBondContact O-N 3.22Å |
| 280 | V | 96.5 | Very high | 95.9 | Very high | 80 Ų | 80 | 102.7 Ų | 102.7 | 49% | 0.485 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69 | -42.5 | 176.9 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | K276 K277 D278 K283 K284 | K276-V280 WeakPolarHBondContact O-CG2 3.47Å; K276-V280 PolarHBondContact O-N 3.28Å; K276-V280 VanDerWaalsContact O-N 3.12Å; K277-V280 PolarHBondContact O-N 3.12Å; K277-V280 VanDerWaalsContact O-N 3.12Å; D278-V280 VanDerWaalsContact C-N 3.27Å; D278-V280 PolarHBondContact O-N 3.07Å; V280-K283 PolarHBondContact O-N 3.47Å; V280-K284 HydrophobicContact CG1-CD 4.45Å; V280-K284 WeakPolarHBondContact O-CG 3.49Å; V280-K284 PolarHBondContact O-N 3.35Å |
| 281 | A | 96.4 | Very high | 95.8 | Very high | 56 Ų | 56 | 98.3 Ų | 98.3 | 46% | 0.463 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.1 | -48.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.3 | K277 D278 K283 K284 A285 | K277-A281 PolarHBondContact O-N 2.88Å; D278-A281 WeakPolarHBondContact O-CB 3.41Å; D278-A281 PolarHBondContact O-N 3.1Å; D278-A281 VanDerWaalsContact O-N 3.07Å; A281-K283 VanDerWaalsContact C-N 3.32Å; A281-K283 PolarHBondContact O-N 3.31Å; A281-K284 PolarHBondContact O-N 2.91Å; A281-A285 WeakPolarHBondContact O-CB 3.46Å; A281-A285 PolarHBondContact O-N 3.47Å |
| 282 | Q | 96.6 | Very high | 95.8 | Very high | 110 Ų | 110 | 99.8 Ų | 99.8 | 51% | 0.514 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.8 | -42 | 175.8 | -69.9 | 173.9 | 8.1 | 0 | 0 | 112.3 | D278 S286 | D278-Q282 VanDerWaalsContact CG-NE2 3.28Å; D278-Q282 WeakPolarHBondContact O-CG 3.35Å; D278-Q282 PolarHBondContact O-N 3.07Å; D278-Q282 PolarHBondContact OD1-NE2 2.98Å; D278-Q282 VanDerWaalsContact OD1-NE2 3.1Å; D278-Q282 PolarHBondContact OD2-NE2 3.19Å; Q282-S286 WeakPolarHBondContact O-CB 3.34Å; Q282-S286 PolarHBondContact O-N 2.88Å |
| 283 | K | 96.7 | Very high | 95.5 | Very high | 132 Ų | 132 | 105.7 Ų | 105.7 | 57% | 0.574 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.2 | -43.4 | 176.2 | -81 | -172.5 | 172 | -157.9 | 0 | 112.9 | R279 V280 A281 S286 F287 | R279-K283 WeakPolarHBondContact O-CB 3.28Å; R279-K283 WeakPolarHBondContact O-CG 3.45Å; R279-K283 PolarHBondContact O-N 3.22Å; V280-K283 PolarHBondContact O-N 3.47Å; A281-K283 VanDerWaalsContact C-N 3.32Å; A281-K283 PolarHBondContact O-N 3.31Å; K283-S286 PolarHBondContact O-N 3.02Å; K283-F287 WeakPolarHBondContact O-CB 3.49Å; K283-F287 PolarHBondContact O-N 3.44Å |
| 284 | K | 96.7 | Very high | 95.3 | Very high | 145 Ų | 145 | 103 Ų | 103 | 63% | 0.63 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.3 | -47 | 176.8 | -73.3 | -177.4 | 176 | -169.9 | 0 | 111.2 | V280 A281 S286 F287 L288 | V280-K284 HydrophobicContact CG1-CD 4.45Å; V280-K284 WeakPolarHBondContact O-CG 3.49Å; V280-K284 PolarHBondContact O-N 3.35Å; A281-K284 PolarHBondContact O-N 2.91Å; K284-S286 VanDerWaalsContact C-N 3.33Å; K284-S286 PolarHBondContact O-N 3.06Å; K284-F287 WeakPolarHBondContact O-CB 3.4Å; K284-F287 PolarHBondContact O-N 3.11Å; K284-L288 PolarHBondContact O-N 3.04Å |
| 285 | A | 96.4 | Very high | 95 | Very high | 47 Ų | 47 | 103.7 Ų | 103.7 | 39% | 0.388 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.5 | -40.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A281 F287 R289 | A281-A285 WeakPolarHBondContact O-CB 3.46Å; A281-A285 PolarHBondContact O-N 3.47Å; A285-F287 VanDerWaalsContact C-N 3.33Å; A285-F287 PolarHBondContact O-N 2.93Å; A285-R289 WeakPolarHBondContact O-CG 3.49Å; A285-R289 PolarHBondContact O-N 3.17Å; A285-R289 VanDerWaalsContact O-N 3.11Å |
| 286 | S | 95.6 | Very high | 94.4 | Very high | 63 Ų | 63 | 106.4 Ų | 106.4 | 44% | 0.441 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.5 | -36 | 174.8 | -170 | 0 | 0 | 0 | 0 | 113.3 | Q282 K283 K284 A290 | Q282-S286 WeakPolarHBondContact O-CB 3.34Å; Q282-S286 PolarHBondContact O-N 2.88Å; K283-S286 PolarHBondContact O-N 3.02Å; K284-S286 VanDerWaalsContact C-N 3.33Å; K284-S286 PolarHBondContact O-N 3.06Å; S286-A290 PolarHBondContact O-N 3.43Å |
| 287 | F | 95.5 | Very high | 93.2 | Very high | 126 Ų | 126 | 108.1 Ų | 108.1 | 55% | 0.553 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68.3 | -45.3 | 178.2 | 177.6 | -98.5 | 0 | 0 | 0 | 111.5 | K283 K284 A285 A290 Q291 | K283-F287 WeakPolarHBondContact O-CB 3.49Å; K283-F287 PolarHBondContact O-N 3.44Å; K284-F287 WeakPolarHBondContact O-CB 3.4Å; K284-F287 PolarHBondContact O-N 3.11Å; A285-F287 VanDerWaalsContact C-N 3.33Å; A285-F287 PolarHBondContact O-N 2.93Å; F287-A290 PolarHBondContact O-N 3.2Å; F287-A290 VanDerWaalsContact O-N 3.15Å; F287-Q291 HydrophobicContact CE1-CG 4.17Å; F287-Q291 HydrophobicContact CZ-CG 4.27Å; F287-Q291 PolarHBondContact O-N 3.15Å; F287-Q291 VanDerWaalsContact O-N 3.08Å |
| 288 | L | 95 | Very high | 93 | Very high | 94 Ų | 94 | 106.6 Ų | 106.6 | 49% | 0.492 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -59.5 | -47.4 | 175.8 | -68.6 | 171.5 | 0 | 0 | 0 | 111.5 | K284 A290 Q291 E292 | K284-L288 PolarHBondContact O-N 3.04Å; L288-A290 PolarHBondContact O-N 3.08Å; L288-Q291 PolarHBondContact O-N 3.01Å; L288-E292 WeakPolarHBondContact O-CG 3.5Å; L288-E292 PolarHBondContact O-N 3.25Å |
| 289 | R | 93.7 | Very high | 92.8 | Very high | 145 Ų | 145 | 107.6 Ų | 107.6 | 55% | 0.547 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -58.3 | -31.5 | 175.3 | -73.3 | -172.7 | -62.8 | -177.1 | 2.2 | 113.9 | A285 R293 | A285-R289 WeakPolarHBondContact O-CG 3.49Å; A285-R289 PolarHBondContact O-N 3.17Å; A285-R289 VanDerWaalsContact O-N 3.11Å; R289-R293 VanDerWaalsContact O-CG 3.31Å; R289-R293 WeakPolarHBondContact O-CG 3.47Å; R289-R293 PolarHBondContact O-N 2.95Å |
| 290 | A | 94 | Very high | 92.7 | Very high | 58 Ų | 58 | 106.3 Ų | 106.3 | 48% | 0.479 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -75.8 | -34.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S286 F287 L288 A294 | S286-A290 PolarHBondContact O-N 3.43Å; F287-A290 PolarHBondContact O-N 3.2Å; F287-A290 VanDerWaalsContact O-N 3.15Å; L288-A290 PolarHBondContact O-N 3.08Å; A290-A294 WeakPolarHBondContact O-CB 3.43Å; A290-A294 PolarHBondContact O-N 3.19Å; A290-A294 VanDerWaalsContact O-N 3.17Å |
| 291 | Q | 92.4 | Very high | 92.4 | Very high | 107 Ų | 107 | 107.9 Ų | 107.9 | 50% | 0.5 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -68.2 | -43.1 | 173.3 | -71.9 | -166.2 | -19.1 | 0 | 0 | 111.9 | F287 L288 R293 A294 A295 | F287-Q291 HydrophobicContact CE1-CG 4.17Å; F287-Q291 HydrophobicContact CZ-CG 4.27Å; F287-Q291 PolarHBondContact O-N 3.15Å; F287-Q291 VanDerWaalsContact O-N 3.08Å; L288-Q291 PolarHBondContact O-N 3.01Å; Q291-R293 PolarHBondContact O-N 3.06Å; Q291-A294 PolarHBondContact O-N 3.2Å; Q291-A295 PolarHBondContact O-N 3.07Å |
| 292 | E | 93 | Very high | 92.2 | Very high | 113 Ų | 113 | 111.1 Ų | 111.1 | 53% | 0.528 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -57.5 | -49.6 | 176.2 | -71.9 | 165.5 | 178.5 | 0 | 0 | 110.8 | L288 A294 A295 E296 | L288-E292 WeakPolarHBondContact O-CG 3.5Å; L288-E292 PolarHBondContact O-N 3.25Å; E292-A294 VanDerWaalsContact C-N 3.29Å; E292-A294 PolarHBondContact O-N 3.17Å; E292-A295 WeakPolarHBondContact O-CB 3.48Å; E292-A295 PolarHBondContact O-N 3.21Å; E292-E296 WeakPolarHBondContact O-CG 3.31Å; E292-E296 PolarHBondContact O-N 3.49Å; E292-E296 VanDerWaalsContact O-N 3.07Å |
| 293 | R | 91.6 | Very high | 91.9 | Very high | 182 Ų | 182 | 111.2 Ų | 111.2 | 69% | 0.687 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -61 | -34.3 | 176.7 | -74.4 | 176.6 | -178.5 | -169.2 | -3.1 | 114.2 | R289 Q291 A295 S297 | R289-R293 VanDerWaalsContact O-CG 3.31Å; R289-R293 WeakPolarHBondContact O-CG 3.47Å; R289-R293 PolarHBondContact O-N 2.95Å; Q291-R293 PolarHBondContact O-N 3.06Å; R293-A295 VanDerWaalsContact C-N 3.31Å; R293-S297 PolarHBondContact O-N 3.4Å; R293-S297 PolarHBondContact O-OG 3.39Å |
| 294 | A | 91.7 | Very high | 91.6 | Very high | 63 Ų | 63 | 109.7 Ų | 109.7 | 52% | 0.521 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -77.3 | -19.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A290 Q291 E292 S297 | A290-A294 WeakPolarHBondContact O-CB 3.43Å; A290-A294 PolarHBondContact O-N 3.19Å; A290-A294 VanDerWaalsContact O-N 3.17Å; Q291-A294 PolarHBondContact O-N 3.2Å; E292-A294 VanDerWaalsContact C-N 3.29Å; E292-A294 PolarHBondContact O-N 3.17Å; A294-S297 PolarHBondContact O-OG 3.29Å |
| 295 | A | 89.7 | Confident | 91.2 | Very high | 85 Ų | 85 | 107 Ų | 107 | 70% | 0.702 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -85.1 | -25.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q291 E292 R293 | Q291-A295 PolarHBondContact O-N 3.07Å; E292-A295 WeakPolarHBondContact O-CB 3.48Å; E292-A295 PolarHBondContact O-N 3.21Å; R293-A295 VanDerWaalsContact C-N 3.31Å |
| 296 | E | 85.1 | Confident | 90.7 | Very high | 165 Ų | 165 | 112 Ų | 112 | 77% | 0.771 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -80.7 | -15.4 | 175 | -70.4 | 174 | 174 | 0 | 0 | 113.6 | E292 | E292-E296 WeakPolarHBondContact O-CG 3.31Å; E292-E296 PolarHBondContact O-N 3.49Å; E292-E296 VanDerWaalsContact O-N 3.07Å |
| 297 | S | 71.5 | Confident | 90.3 | Very high | 143 Ų | 143 | 116.5 Ų | 116.5 | 100% | 1 | 62% | 0.616 | S | S | * | * | trans | -99.1 | 0 | 178.2 | 65.1 | 0 | 0 | 0 | 0 | 112.5 | R293 A294 | R293-S297 PolarHBondContact O-N 3.4Å; R293-S297 PolarHBondContact O-OG 3.39Å; A294-S297 PolarHBondContact O-OG 3.29Å |
Retrieved 297 of 297 residues in 59.1 ms
(Link to these results)