| 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 | 37.4 | Very low | 40.5 | Very low | 239 Ų | 239 | 170.9 Ų | 170.9 | 100% | 1.177 | 85% | 0.854 | S | S | * | * | 0 | 88.9 | 0 | -79.2 | 154 | 57.4 | 0 | 0 | 107.3 | |||||
| 2 | R | 35 | Very low | 40.9 | Very low | 241 Ų | 241 | 166.3 Ų | 166.3 | 91% | 0.909 | 84% | 0.841 | S | S | * | * | 69.1 | 108 | 92.4 | -97.1 | -168.1 | -177.3 | -173.6 | 2.1 | 114.3 | |||||
| 3 | V | 38.8 | Very low | 41.7 | Very low | 126 Ų | 126 | 161.8 Ų | 161.8 | 76% | 0.764 | 83% | 0.827 | S | S | * | * | trans | 73 | 109.6 | 146.8 | -162.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 4 | S | 39 | Very low | 41.8 | Very low | 120 Ų | 120 | 160.3 Ų | 160.3 | 84% | 0.839 | 82% | 0.821 | S | S | * | * | trans | -113.9 | 132 | 157.7 | -176.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 5 | L | 40.8 | Very low | 42.6 | Very low | 150 Ų | 150 | 158.3 Ų | 158.3 | 79% | 0.785 | 81% | 0.811 | S | S | * | * | trans | -55.8 | 129.9 | -168.6 | -95.2 | 63.1 | 0 | 0 | 0 | 113.4 | L7 | L5-L7 PolarHBondContact O-N 2.94Š| ||
| 6 | R | 41.1 | Very low | 42.9 | Very low | 240 Ų | 240 | 158 Ų | 158 | 91% | 0.906 | 81% | 0.811 | S | S | * | * | trans | -77.1 | 115.6 | 156.2 | -76.9 | -169.7 | 175.2 | -157.7 | -0.6 | 108.4 | Q8 | R6-Q8 PolarHBondContact O-N 2.66Š| ||
| 7 | L | 43.9 | Very low | 43.5 | Very low | 162 Ų | 162 | 157.5 Ų | 157.5 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | trans | -79.9 | 101.5 | 169.8 | -162.5 | 72.7 | 0 | 0 | 0 | 108 | L5 | L5-L7 PolarHBondContact O-N 2.94Š| ||
| 8 | Q | 42.5 | Very low | 43.7 | Very low | 168 Ų | 168 | 154.3 Ų | 154.3 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | -84.5 | 117.4 | 168.6 | -80.2 | -179.8 | -33.3 | 0 | 0 | 108.6 | R6 L10 | R6-Q8 PolarHBondContact O-N 2.66Å; Q8-L10 PolarHBondContact O-N 3.46Å | ||
| 9 | L | 41.8 | Very low | 43.9 | Very low | 159 Ų | 159 | 152.6 Ų | 152.6 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -68.5 | 109.9 | 173.9 | -152 | 82.3 | 0 | 0 | 0 | 108.2 | T11 | L9-T11 PolarHBondContact O-N 3.08Š| ||
| 10 | L | 41.2 | Very low | 44.3 | Very low | 157 Ų | 157 | 153.5 Ų | 153.5 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | trans | -77.3 | 108.5 | 170.6 | -93.7 | 107.6 | 0 | 0 | 0 | 109.2 | Q8 V12 | Q8-L10 PolarHBondContact O-N 3.46Å; L10-V12 PolarHBondContact O-N 3.25Å | ||
| 11 | T | 44 | Very low | 44.9 | Very low | 118 Ų | 118 | 149.3 Ų | 149.3 | 72% | 0.724 | 79% | 0.786 | S | S | * | * | trans | -73.7 | 104.3 | 164.6 | -45.8 | 0 | 0 | 0 | 0 | 108.2 | L9 V13 | L9-T11 PolarHBondContact O-N 3.08Å; T11-V13 HydrophobicContact CG2-CG2 4.33Å; T11-V13 PolarHBondContact O-N 2.69Å | ||
| 12 | V | 45 | Very low | 45.5 | Very low | 116 Ų | 116 | 146 Ų | 146 | 70% | 0.703 | 77% | 0.772 | S | S | * | * | trans | -77.4 | 99.4 | 170 | 178.9 | 0 | 0 | 0 | 0 | 107.7 | L10 N14 | L10-V12 PolarHBondContact O-N 3.25Å; V12-N14 PolarHBondContact O-N 3.22Å | ||
| 13 | V | 52 | Low | 46.4 | Very low | 108 Ų | 108 | 139 Ų | 139 | 66% | 0.655 | 75% | 0.75 | S | S | * | * | trans | -78.5 | 104.5 | 167 | 179.4 | 0 | 0 | 0 | 0 | 107 | T11 I15 | T11-V13 HydrophobicContact CG2-CG2 4.33Å; T11-V13 PolarHBondContact O-N 2.69Å; V13-I15 VanDerWaalsContact C-N 3.33Å; V13-I15 HydrophobicContact CG1-CG1 3.8Å; V13-I15 PolarHBondContact O-N 2.62Å | ||
| 14 | N | 43.2 | Very low | 47.4 | Very low | 140 Ų | 140 | 140.1 Ų | 140.1 | 75% | 0.749 | 75% | 0.745 | S | S | * | * | trans | -68.9 | 93.3 | 165.6 | -88.3 | -35.7 | 0 | 0 | 0 | 108.2 | V12 L16 | V12-N14 PolarHBondContact O-N 3.22Å; N14-L16 PolarHBondContact O-N 3.24Å; N14-L16 VanDerWaalsContact O-N 3.14Å | ||
| 15 | I | 53 | Low | 49.4 | Very low | 130 Ų | 130 | 144.3 Ų | 144.3 | 67% | 0.667 | 74% | 0.742 | S | S | * | * | trans | -76.2 | 95.4 | 165.2 | -56.9 | 179.2 | 0 | 0 | 0 | 105.9 | V13 L17 | V13-I15 VanDerWaalsContact C-N 3.33Å; V13-I15 HydrophobicContact CG1-CG1 3.8Å; V13-I15 PolarHBondContact O-N 2.62Å; I15-L17 HydrophobicContact CG2-CG 4.1Å; I15-L17 PolarHBondContact O-N 3.31Å | ||
| 16 | L | 48.3 | Very low | 51.9 | Low | 154 Ų | 154 | 140.9 Ų | 140.9 | 81% | 0.806 | 72% | 0.721 | S | S | * | * | trans | -62.1 | 93.6 | 156.6 | -101.4 | 113.4 | 0 | 0 | 0 | 106.6 | N14 C18 | N14-L16 PolarHBondContact O-N 3.24Å; N14-L16 VanDerWaalsContact O-N 3.14Å; L16-C18 PolarHBondContact O-N 2.66Å | ||
| 17 | L | 51.6 | Low | 54.6 | Low | 149 Ų | 149 | 131 Ų | 131 | 78% | 0.78 | 69% | 0.685 | S | S | * | * | trans | -65.8 | 88.4 | 157.1 | -82.6 | 152.2 | 0 | 0 | 0 | 105.9 | I15 C19 | I15-L17 HydrophobicContact CG2-CG 4.1Å; I15-L17 PolarHBondContact O-N 3.31Å; L17-C19 PolarHBondContact O-N 3.27Å | ||
| 18 | C | 47 | Very low | 57.1 | Low | 101 Ų | 101 | 129.8 Ų | 129.8 | 68% | 0.682 | 68% | 0.675 | S | S | * | * | trans | -58.7 | 92.6 | 150 | -89.1 | 0 | 0 | 0 | 0 | 105.4 | L16 E20 | L16-C18 PolarHBondContact O-N 2.66Å; C18-E20 PolarHBondContact O-N 3.3Å | ||
| 19 | C | 47.8 | Very low | 59.8 | Low | 121 Ų | 121 | 123.2 Ų | 123.2 | 82% | 0.818 | 64% | 0.644 | S | S | * | * | trans | -66.2 | 76.1 | 157.9 | -160.8 | 0 | 0 | 0 | 0 | 105.2 | L17 S21 | L17-C19 PolarHBondContact O-N 3.27Å; C19-S21 VanDerWaalsContact C-N 3.27Å; C19-S21 PolarHBondContact O-N 3.02Å | ||
| 20 | E | 51.9 | Low | 62.5 | Low | 170 Ų | 170 | 116.6 Ų | 116.6 | 79% | 0.794 | 61% | 0.613 | S | S | * | * | trans | -60.1 | 108.6 | 153 | -72.9 | -153.2 | 176.9 | 0 | 0 | 104.2 | C18 L22 | C18-E20 PolarHBondContact O-N 3.3Å; E20-L22 PolarHBondContact O-N 3.13Å; E20-L22 VanDerWaalsContact O-N 3.12Å | ||
| 21 | S | 56.5 | Low | 65.3 | Low | 67 Ų | 67 | 109.2 Ų | 109.2 | 47% | 0.469 | 57% | 0.574 | S | S | . | * | trans | -44 | 123.9 | 173.5 | 44.3 | 0 | 0 | 0 | 0 | 107.8 | C19 H23 | C19-S21 VanDerWaalsContact C-N 3.27Å; C19-S21 PolarHBondContact O-N 3.02Å; S21-H23 PolarHBondContact O-N 2.87Å; S21-H23 PolarHBondContact O-ND1 2.77Å; S21-H23 PolarHBondContact OG-CE1 3.32Å; S21-H23 PolarHBondContact OG-ND1 3.17Å | ||
| 22 | L | 50.5 | Low | 67.9 | Low | 168 Ų | 168 | 108.7 Ų | 108.7 | 88% | 0.88 | 56% | 0.563 | S | S | * | * | trans | -61 | 87 | 166.4 | -89.8 | 151 | 0 | 0 | 0 | 106.4 | E20 F24 | E20-L22 PolarHBondContact O-N 3.13Å; E20-L22 VanDerWaalsContact O-N 3.12Å; L22-F24 PolarHBondContact O-N 3.3Å; L22-F24 VanDerWaalsContact O-N 3.12Å | ||
| 23 | H | 55.3 | Low | 70.4 | Confident | 95 Ų | 95 | 106.4 Ų | 106.4 | 44% | 0.44 | 55% | 0.545 | S | S | . | . | trans | -59.8 | 116.4 | 171.6 | -73.7 | 86.3 | 0 | 0 | 0 | 106 | S21 R25 G207 | S21-H23 PolarHBondContact O-N 2.87Å; S21-H23 PolarHBondContact O-ND1 2.77Å; S21-H23 PolarHBondContact OG-CE1 3.32Å; S21-H23 PolarHBondContact OG-ND1 3.17Å; H23-R25 PolarHBondContact O-N 2.88Å; H23-G207 VanDerWaalsContact CD2-CA 3.48Å; H23-G207 WeakPolarHBondContact CD2-CA 3.29Å | ||
| 24 | F | 58.3 | Low | 72.6 | Confident | 150 Ų | 150 | 102.4 Ų | 102.4 | 66% | 0.658 | 52% | 0.52 | S | S | * | . | trans | -67.6 | 86.6 | 172 | -107.6 | -92.7 | 0 | 0 | 0 | 107.1 | L22 K26 N204 I205 | L22-F24 PolarHBondContact O-N 3.3Å; L22-F24 VanDerWaalsContact O-N 3.12Å; F24-K26 WeakPolarHBondContact CD1-O 3.2Å; F24-K26 PolarHBondContact O-N 3.39Å; F24-N204 WeakPolarHBondContact CB-O 3.11Å; F24-I205 WeakPolarHBondContact O-CA 3.36Å | ||
| 25 | R | 81.9 | Confident | 75.3 | Confident | 207 Ų | 207 | 97.5 Ų | 97.5 | 78% | 0.781 | 49% | 0.491 | S | S | * | . | S | Bend | trans | -61.6 | -9.1 | -179.3 | -65.1 | -170.3 | -177.7 | -154.1 | 0.2 | 113.2 | H23 S50 | H23-R25 PolarHBondContact O-N 2.88Å; R25-S50 WeakPolarHBondContact O-CB 3.39Å |
| 26 | K | 93 | Very high | 77.4 | Confident | 79 Ų | 79 | 92.8 Ų | 92.8 | 34% | 0.343 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 125.6 | -178.3 | -170.1 | -179.9 | -171.4 | -167.3 | 0 | 110.3 | F24 E28 S48 F49 E59 | F24-K26 WeakPolarHBondContact CD1-O 3.2Å; F24-K26 PolarHBondContact O-N 3.39Å; K26-E28 HydrophobicContact CD-CG 4Å; K26-E28 WeakPolarHBondContact CE-OE1 3.35Å; K26-E28 HydrophobicContact CG-CG 3.98Å; K26-E28 IonicContact NZ-OE1 2.87Å; K26-E28 PolarHBondContact NZ-OE1 2.93Å; K26-S48 WeakPolarHBondContact CE-OG 3.11Å; K26-S48 PolarHBondContact NZ-OG 2.9Å; K26-F49 CarbonylContact C-O 3.47Å; K26-F49 VanDerWaalsContact CA-O 3.24Å; K26-F49 WeakPolarHBondContact CA-O 3.35Å; K26-E59 WeakPolarHBondContact CE-OE2 3.14Å; K26-E59 IonicContact NZ-OE2 3.12Å |
| 27 | M | 96.9 | Very high | 79.8 | Confident | 32 Ų | 32 | 86.9 Ų | 86.9 | 16% | 0.158 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 137.6 | 165.4 | -66.7 | -177.3 | 77.1 | 0 | 0 | 109 | F29 S48 F49 F200 N204 I205 | M27-F29 HydrophobicContact CB-CE2 3.77Å; M27-F29 HydrophobicContact CB-CZ 4.27Å; M27-F29 HydrophobicContact CE-CE2 4.29Å; M27-F29 HydrophobicContact CE-CZ 3.65Å; M27-S48 CarbonylContact O-C 3.44Å; M27-S48 WeakPolarHBondContact O-CA 3.26Å; M27-S48 VanDerWaalsContact O-CB 3.25Å; M27-S48 WeakPolarHBondContact O-CB 3.17Å; M27-F49 PolarHBondContact N-O 2.98Å; M27-F49 PolarHBondContact O-N 3.37Å; M27-F200 HydrophobicContact CE-CD2 4.41Å; M27-F200 HydrophobicContact CE-CE2 4.33Å; M27-F200 HydrophobicContact SD-CD2 4.42Å; M27-F200 HydrophobicContact SD-CE2 3.86Å; M27-N204 HydrophobicContact SD-CB 3.87Å; M27-I205 HydrophobicContact CB-CD1 4.4Å; M27-I205 HydrophobicContact CB-CG1 4.42Å; M27-I205 HydrophobicContact CG-CD1 4.08Å; M27-I205 HydrophobicContact CG-CG1 3.7Å; M27-I205 HydrophobicContact SD-CD1 3.98Å; M27-I205 HydrophobicContact SD-CG1 3.85Å |
| 28 | E | 97.8 | Very high | 82 | Confident | 136 Ų | 136 | 82.9 Ų | 82.9 | 64% | 0.636 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127 | 137.6 | -178.7 | -59.7 | -170.6 | 126.9 | 0 | 0 | 110.6 | K26 | K26-E28 HydrophobicContact CD-CG 4Å; K26-E28 WeakPolarHBondContact CE-OE1 3.35Å; K26-E28 HydrophobicContact CG-CG 3.98Å; K26-E28 IonicContact NZ-OE1 2.87Å; K26-E28 PolarHBondContact NZ-OE1 2.93Å |
| 29 | F | 98.6 | Very high | 84.5 | Confident | 31 Ų | 31 | 82.8 Ų | 82.8 | 14% | 0.136 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 151.5 | -176.3 | -60.9 | -83.1 | 0 | 0 | 0 | 109.9 | M27 R46 I47 F49 M158 L175 Y176 F200 | M27-F29 HydrophobicContact CB-CE2 3.77Å; M27-F29 HydrophobicContact CB-CZ 4.27Å; M27-F29 HydrophobicContact CE-CE2 4.29Å; M27-F29 HydrophobicContact CE-CZ 3.65Å; F29-R46 VanDerWaalsContact O-CA 3.27Å; F29-R46 WeakPolarHBondContact O-CA 3.29Å; F29-I47 PolarHBondContact N-O 3.35Å; F29-I47 PolarHBondContact O-N 2.58Å; F29-F49 AromaticContact CD2-CD2 3.98Å; F29-F49 HydrophobicContact CD2-CD2 3.98Å; F29-F49 AromaticContact CD2-CE2 3.86Å; F29-F49 HydrophobicContact CD2-CE2 3.86Å; F29-F49 AromaticContact CE2-CD2 3.69Å; F29-F49 HydrophobicContact CE2-CD2 3.69Å; F29-F49 AromaticContact CE2-CE2 3.83Å; F29-F49 HydrophobicContact CE2-CE2 3.83Å; F29-M158 HydrophobicContact CD1-CE 4.18Å; F29-M158 HydrophobicContact CD2-CE 4.01Å; F29-M158 HydrophobicContact CE1-CE 3.72Å; F29-M158 HydrophobicContact CE2-CE 3.56Å; F29-M158 HydrophobicContact CG-CE 4.29Å; F29-M158 HydrophobicContact CZ-CE 3.37Å; F29-L175 HydrophobicContact CB-CD1 3.92Å; F29-L175 HydrophobicContact CB-CD2 3.87Å; F29-L175 HydrophobicContact CD1-CD1 4.18Å; F29-L175 HydrophobicContact CD1-CD2 3.6Å; F29-L175 HydrophobicContact CD1-CG 4.46Å; F29-L175 HydrophobicContact CE1-CD2 4.3Å; F29-L175 HydrophobicContact CG-CD1 4.49Å; F29-L175 HydrophobicContact CG-CD2 3.83Å; F29-Y176 WeakPolarHBondContact CE1-OH 3.19Å; F29-F200 HydrophobicContact CE2-CE2 4.45Å; F29-F200 HydrophobicContact CZ-CD2 4.49Å; F29-F200 HydrophobicContact CZ-CE2 4.44Å |
| 30 | A | 98.8 | Very high | 86.9 | Confident | 20 Ų | 20 | 78.4 Ų | 78.4 | 17% | 0.165 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 126.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | Q32 P44 I45 R46 L175 | A30-Q32 HydrophobicContact CB-CG 4.02Å; A30-Q32 PolarHBondContact O-N 2.91Å; A30-P44 HydrophobicContact CB-CB 3.97Å; A30-I45 WeakPolarHBondContact CA-O 3.27Å; A30-R46 HydrophobicContact CB-CG 4.5Å; A30-L175 WeakPolarHBondContact O-CD1 3.44Å |
| 31 | I | 98.9 | Very high | 89 | Confident | 1 Ų | 1 | 78.1 Ų | 78.1 | 1% | 0.005 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 109.3 | 174.2 | -62 | 175.5 | 0 | 0 | 0 | 107.3 | P44 I45 I47 A162 E173 L175 | I31-P44 WeakPolarHBondContact O-CA 3.35Å; I31-P44 VanDerWaalsContact O-CB 3.28Å; I31-P44 WeakPolarHBondContact O-CB 3.36Å; I31-I45 HydrophobicContact CB-CB 4.39Å; I31-I45 HydrophobicContact CD1-CB 4.39Å; I31-I45 HydrophobicContact CD1-CG2 4.25Å; I31-I45 PolarHBondContact N-O 3.46Å; I31-I47 HydrophobicContact CD1-CD1 3.83Å; I31-I47 HydrophobicContact CG1-CD1 4.44Å; I31-A162 HydrophobicContact CD1-CB 4.11Å; I31-E173 HydrophobicContact CG2-CB 3.42Å; I31-E173 VanDerWaalsContact CG2-CB 3.42Å; I31-E173 HydrophobicContact CG2-CG 4.46Å; I31-E173 WeakPolarHBondContact CG2-OE2 3.44Å; I31-L175 HydrophobicContact CG1-CB 4.11Å |
| 32 | Q | 98.8 | Very high | 90.9 | Very high | 107 Ų | 107 | 77 Ų | 77 | 50% | 0.5 | 38% | 0.378 | S | S | . | . | trans | -118.7 | 0.4 | -172 | -56.7 | -173.7 | -84.2 | 0 | 0 | 113.1 | A30 P39 V40 P44 | A30-Q32 HydrophobicContact CB-CG 4.02Å; A30-Q32 PolarHBondContact O-N 2.91Å; Q32-P39 WeakPolarHBondContact O-CA 3.38Å; Q32-V40 PolarHBondContact O-N 2.94Å; Q32-P44 HydrophobicContact CG-CB 4.2Å; Q32-P44 HydrophobicContact CG-CG 3.9Å | ||
| 33 | H | 98.8 | Very high | 93.2 | Very high | 69 Ų | 69 | 73.5 Ų | 73.5 | 32% | 0.319 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 145.7 | -175.6 | -58.3 | 91.4 | 0 | 0 | 0 | 110.8 | N38 E173 A174 P177 | H33-N38 CarbonylContact C-O 3.42Å; H33-N38 WeakPolarHBondContact CA-O 3.17Å; H33-E173 CarbonylContact O-C 3.5Å; H33-E173 VanDerWaalsContact O-CA 3.29Å; H33-E173 WeakPolarHBondContact O-CA 3.34Å; H33-E173 WeakPolarHBondContact O-CB 3.46Å; H33-A174 PolarHBondContact O-N 3.25Å; H33-P177 HydrophobicContact CB-CB 4.43Å; H33-P177 HydrophobicContact CB-CG 3.94Å |
| 34 | T | 98.8 | Very high | 95.3 | Very high | 23 Ų | 23 | 69.9 Ų | 69.9 | 14% | 0.141 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 159.1 | 160.7 | 52.4 | 0 | 0 | 0 | 0 | 110.7 | D36 S37 N38 V40 T171 Y172 P177 | T34-D36 WeakPolarHBondContact CB-OD1 3Å; T34-D36 PolarHBondContact O-N 2.9Å; T34-D36 PolarHBondContact OG1-OD1 3.23Å; T34-S37 PolarHBondContact O-N 2.8Å; T34-N38 PolarHBondContact N-O 3.06Å; T34-N38 WeakPolarHBondContact OG1-CA 3.24Å; T34-N38 VanDerWaalsContact OG1-CB 3.23Å; T34-N38 WeakPolarHBondContact OG1-CB 3.28Å; T34-N38 PolarHBondContact OG1-N 3.2Å; T34-N38 PolarHBondContact OG1-ND2 3.43Å; T34-N38 PolarHBondContact OG1-O 3.03Å; T34-V40 HydrophobicContact CG2-CG1 4.49Å; T34-T171 HydrophobicContact CG2-CG2 4.39Å; T34-Y172 CarbonylContact C-O 3.51Å; T34-Y172 VanDerWaalsContact CA-O 3.28Å; T34-Y172 WeakPolarHBondContact CA-O 3.12Å; T34-P177 VanDerWaalsContact O-CB 3.25Å; T34-P177 WeakPolarHBondContact O-CB 3.41Å |
| 35 | W | 98.6 | Very high | 97.2 | Very high | 37 Ų | 37 | 62.9 Ų | 62.9 | 14% | 0.14 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -27 | -179.1 | 72.2 | -81.1 | 0 | 0 | 0 | 114.1 | Y172 P177 I178 I183 Q187 P189 F191 | W35-Y172 PolarHBondContact N-O 2.89Å; W35-P177 WeakPolarHBondContact O-CB 3.45Å; W35-I178 HydrophobicContact CE3-CD1 3.97Å; W35-I178 HydrophobicContact CZ3-CD1 4.05Å; W35-I178 PolarHBondContact O-N 3.35Å; W35-I183 HydrophobicContact CE3-CD1 4.25Å; W35-I183 HydrophobicContact CH2-CD1 4.18Å; W35-I183 HydrophobicContact CZ3-CD1 3.61Å; W35-Q187 HydrophobicContact CH2-CB 4.09Å; W35-Q187 HydrophobicContact CH2-CG 4.01Å; W35-Q187 WeakPolarHBondContact CH2-O 3.43Å; W35-Q187 HydrophobicContact CZ3-CB 4.48Å; W35-Q187 HydrophobicContact CZ3-CG 3.95Å; W35-P189 HydrophobicContact CB-CB 4.44Å; W35-P189 HydrophobicContact CD2-CB 3.95Å; W35-P189 HydrophobicContact CD2-CG 3.97Å; W35-P189 HydrophobicContact CG-CB 3.91Å; W35-P189 HydrophobicContact CG-CG 4.01Å; W35-P189 HydrophobicContact CZ2-CG 4.31Å; W35-F191 HydrophobicContact CB-CE1 4.16Å |
| 36 | D | 98.2 | Very high | 98 | Very high | 31 Ų | 31 | 59.3 Ų | 59.3 | 17% | 0.166 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 25.6 | 178.9 | 75.8 | -47.4 | 0 | 0 | 0 | 113 | T34 N38 K180 I183 | T34-D36 WeakPolarHBondContact CB-OD1 3Å; T34-D36 PolarHBondContact O-N 2.9Å; T34-D36 PolarHBondContact OG1-OD1 3.23Å; D36-N38 PolarHBondContact O-N 3.37Å; D36-N38 PolarHBondContact OD1-ND2 3.43Å; D36-N38 PolarHBondContact OD2-ND2 3.34Å; D36-K180 VanDerWaalsContact O-CD 3.24Å; D36-K180 WeakPolarHBondContact O-CD 3.38Å; D36-K180 WeakPolarHBondContact O-CE 3.44Å; D36-K180 PolarHBondContact O-NZ 2.82Å; D36-K180 IonicContact OD2-NZ 3.93Å; D36-K180 PolarHBondContact OD2-NZ 2.93Å; D36-I183 HydrophobicContact CB-CD1 3.77Å; D36-I183 HydrophobicContact CB-CG1 4.24Å |
| 37 | S | 98.4 | Very high | 98.3 | Very high | 31 Ų | 31 | 55.6 Ų | 55.6 | 22% | 0.217 | 29% | 0.285 | C | S | . | . | S | Bend | trans | 67.3 | 23.9 | 171.9 | -62.4 | 0 | 0 | 0 | 0 | 116.2 | T34 P177 I178 | T34-S37 PolarHBondContact O-N 2.8Å; S37-P177 WeakPolarHBondContact OG-CB 3.32Å; S37-P177 VanDerWaalsContact OG-CG 3.26Å; S37-P177 WeakPolarHBondContact OG-CG 3.49Å; S37-I178 PolarHBondContact OG-O 2.72Å |
| 38 | N | 98.3 | Very high | 98.4 | Very high | 64 Ų | 64 | 54.5 Ų | 54.5 | 34% | 0.342 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -86.9 | 143.9 | 163.6 | -49.6 | -65.2 | 0 | 0 | 0 | 110.4 | H33 T34 D36 K180 | H33-N38 CarbonylContact C-O 3.42Å; H33-N38 WeakPolarHBondContact CA-O 3.17Å; T34-N38 PolarHBondContact N-O 3.06Å; T34-N38 WeakPolarHBondContact OG1-CA 3.24Å; T34-N38 VanDerWaalsContact OG1-CB 3.23Å; T34-N38 WeakPolarHBondContact OG1-CB 3.28Å; T34-N38 PolarHBondContact OG1-N 3.2Å; T34-N38 PolarHBondContact OG1-ND2 3.43Å; T34-N38 PolarHBondContact OG1-O 3.03Å; D36-N38 PolarHBondContact O-N 3.37Å; D36-N38 PolarHBondContact OD1-ND2 3.43Å; D36-N38 PolarHBondContact OD2-ND2 3.34Å; N38-K180 VanDerWaalsContact CG-NZ 3.27Å; N38-K180 PolarHBondContact ND2-NZ 3.14Å; N38-K180 VanDerWaalsContact OD1-CE 3.24Å; N38-K180 WeakPolarHBondContact OD1-CE 3.28Å; N38-K180 PolarHBondContact OD1-NZ 3.43Å |
| 39 | P | 98.3 | Very high | 98.4 | Very high | 100 Ų | 100 | 48 Ų | 48 | 65% | 0.649 | 25% | 0.249 | S | C | * | . | B | Isolated β-bridge | trans | -62 | 146.5 | 172.3 | 28.5 | -35.2 | 0 | 0 | 0 | 111.3 | Q32 | Q32-P39 WeakPolarHBondContact O-CA 3.38Å |
| 40 | V | 97.6 | Very high | 98.4 | Very high | 29 Ų | 29 | 47.3 Ų | 47.3 | 18% | 0.176 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -78.4 | 156.4 | 170.3 | -57.1 | 0 | 0 | 0 | 0 | 110.8 | Q32 T34 E173 | Q32-V40 PolarHBondContact O-N 2.94Å; T34-V40 HydrophobicContact CG2-CG1 4.49Å; V40-E173 HydrophobicContact CG1-CG 3.87Å |
| 41 | D | 96.4 | Very high | 98.2 | Very high | 163 Ų | 163 | 48.8 Ų | 48.8 | 87% | 0.872 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -106.9 | 10.3 | -176.4 | 67.2 | -10.2 | 0 | 0 | 0 | 114.2 | ||
| 42 | H | 97.9 | Very high | 98.1 | Very high | 45 Ų | 45 | 49.3 Ų | 49.3 | 21% | 0.208 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -126.3 | 178.4 | 176.2 | 57.9 | 75.4 | 0 | 0 | 0 | 112 | F65 H164 E173 | H42-F65 AromaticContact CD2-CZ 3.94Å; H42-F65 AromaticContact CE1-CZ 3.63Å; H42-F65 AromaticContact CG-CZ 3.91Å; H42-F65 AromaticContact ND1-CZ 3.71Å; H42-F65 AromaticContact NE2-CZ 3.76Å; H42-H164 AromaticContact NE2-CE1 3.94Å; H42-H164 AromaticContact NE2-NE2 3.5Å; H42-H164 PolarHBondContact NE2-NE2 3.21Å; H42-E173 IonicContact CE1-OE1 2.64Å; H42-E173 PolarHBondContact CE1-OE1 2.88Å; H42-E173 IonicContact CE1-OE2 3.84Å; H42-E173 IonicContact NE2-OE1 3.72Å; H42-E173 PolarHBondContact NE2-OE1 2.94Å |
| 43 | D | 98.1 | Very high | 97.7 | Very high | 93 Ų | 93 | 52 Ų | 52 | 50% | 0.497 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -57 | 131 | 170.9 | -93.7 | 5.5 | 0 | 0 | 0 | 110.9 | P63 R139 | D43-P63 HydrophobicContact CB-CG 3.83Å; D43-P63 WeakPolarHBondContact O-CD 3.45Å; D43-P63 WeakPolarHBondContact O-CG 3.5Å; D43-R139 IonicContact OD2-CZ 3.94Å; D43-R139 IonicContact OD2-NH1 2.87Å; D43-R139 PolarHBondContact OD2-NH1 3.37Å |
| 44 | P | 98.6 | Very high | 97.4 | Very high | 19 Ų | 19 | 52.8 Ų | 52.8 | 12% | 0.123 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 141.7 | 178 | -30.2 | 38 | 0 | 0 | 0 | 113.6 | A30 I31 Q32 R46 | A30-P44 HydrophobicContact CB-CB 3.97Å; I31-P44 WeakPolarHBondContact O-CA 3.35Å; I31-P44 VanDerWaalsContact O-CB 3.28Å; I31-P44 WeakPolarHBondContact O-CB 3.36Å; Q32-P44 HydrophobicContact CG-CB 4.2Å; Q32-P44 HydrophobicContact CG-CG 3.9Å; P44-R46 PolarHBondContact O-N 3.18Å |
| 45 | I | 98.8 | Very high | 97.3 | Very high | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.015 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 128.4 | 158.1 | -62.9 | -68 | 0 | 0 | 0 | 108 | A30 I31 I47 V60 F65 V88 A162 | A30-I45 WeakPolarHBondContact CA-O 3.27Å; I31-I45 HydrophobicContact CB-CB 4.39Å; I31-I45 HydrophobicContact CD1-CB 4.39Å; I31-I45 HydrophobicContact CD1-CG2 4.25Å; I31-I45 PolarHBondContact N-O 3.46Å; I45-I47 HydrophobicContact CG2-CG1 4.39Å; I45-V60 HydrophobicContact CG2-CG1 4.11Å; I45-F65 HydrophobicContact CD1-CE2 4.4Å; I45-V88 HydrophobicContact CG2-CG1 4.27Å; I45-V88 HydrophobicContact CG2-CG2 3.61Å; I45-A162 HydrophobicContact CB-CB 4.34Å; I45-A162 HydrophobicContact CG1-CB 3.88Å |
| 46 | R | 98.9 | Very high | 97.3 | Very high | 132 Ų | 132 | 50 Ų | 50 | 50% | 0.498 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 136.2 | 178.7 | -61.7 | -178.8 | -175.3 | -77.7 | -4.8 | 110.2 | F29 A30 P44 V60 S61 | F29-R46 VanDerWaalsContact O-CA 3.27Å; F29-R46 WeakPolarHBondContact O-CA 3.29Å; A30-R46 HydrophobicContact CB-CG 4.5Å; P44-R46 PolarHBondContact O-N 3.18Å; R46-V60 CarbonylContact O-C 3.52Å; R46-V60 WeakPolarHBondContact O-CA 3.47Å; R46-S61 PolarHBondContact N-O 2.81Å; R46-S61 PolarHBondContact O-N 2.9Å |
| 47 | I | 98.9 | Very high | 97.3 | Very high | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 139.4 | 178.2 | -56.9 | 165.8 | 0 | 0 | 0 | 107.1 | F29 I31 I45 F49 I58 E59 V60 V88 | F29-I47 PolarHBondContact N-O 3.35Å; F29-I47 PolarHBondContact O-N 2.58Å; I31-I47 HydrophobicContact CD1-CD1 3.83Å; I31-I47 HydrophobicContact CG1-CD1 4.44Å; I45-I47 HydrophobicContact CG2-CG1 4.39Å; I47-F49 HydrophobicContact CG2-CE1 3.83Å; I47-F49 HydrophobicContact CG2-CE2 3.97Å; I47-F49 HydrophobicContact CG2-CZ 3.48Å; I47-F49 VanDerWaalsContact CG2-CZ 3.48Å; I47-I58 HydrophobicContact CG2-CD1 4.12Å; I47-I58 HydrophobicContact CG2-CG1 4.03Å; I47-E59 CarbonylContact C-O 3.53Å; I47-E59 WeakPolarHBondContact CA-O 3.41Å; I47-V60 HydrophobicContact CG1-CG2 4.45Å; I47-V88 HydrophobicContact CD1-CG1 3.62Å; I47-V88 HydrophobicContact CG1-CG1 3.98Å |
| 48 | S | 98.6 | Very high | 97.3 | Very high | 8 Ų | 8 | 50.7 Ų | 50.7 | 6% | 0.056 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 149.1 | 172.4 | 67.3 | 0 | 0 | 0 | 0 | 112.8 | K26 M27 I58 E59 | K26-S48 WeakPolarHBondContact CE-OG 3.11Å; K26-S48 PolarHBondContact NZ-OG 2.9Å; M27-S48 CarbonylContact O-C 3.44Å; M27-S48 WeakPolarHBondContact O-CA 3.26Å; M27-S48 VanDerWaalsContact O-CB 3.25Å; M27-S48 WeakPolarHBondContact O-CB 3.17Å; S48-I58 WeakPolarHBondContact O-CA 3.37Å; S48-E59 PolarHBondContact N-O 3.15Å; S48-E59 PolarHBondContact O-N 3.02Å; S48-E59 PolarHBondContact OG-OE2 2.54Å |
| 49 | F | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 132.2 | -179 | -55.7 | -65.4 | 0 | 0 | 0 | 110 | K26 M27 F29 I47 L56 R57 I58 F92 M158 F200 I205 | K26-F49 CarbonylContact C-O 3.47Å; K26-F49 VanDerWaalsContact CA-O 3.24Å; K26-F49 WeakPolarHBondContact CA-O 3.35Å; M27-F49 PolarHBondContact N-O 2.98Å; M27-F49 PolarHBondContact O-N 3.37Å; F29-F49 AromaticContact CD2-CD2 3.98Å; F29-F49 HydrophobicContact CD2-CD2 3.98Å; F29-F49 AromaticContact CD2-CE2 3.86Å; F29-F49 HydrophobicContact CD2-CE2 3.86Å; F29-F49 AromaticContact CE2-CD2 3.69Å; F29-F49 HydrophobicContact CE2-CD2 3.69Å; F29-F49 AromaticContact CE2-CE2 3.83Å; F29-F49 HydrophobicContact CE2-CE2 3.83Å; I47-F49 HydrophobicContact CG2-CE1 3.83Å; I47-F49 HydrophobicContact CG2-CE2 3.97Å; I47-F49 HydrophobicContact CG2-CZ 3.48Å; I47-F49 VanDerWaalsContact CG2-CZ 3.48Å; F49-L56 HydrophobicContact CB-CD1 4.07Å; F49-L56 HydrophobicContact CB-CD2 4.24Å; F49-L56 HydrophobicContact CB-CG 4.23Å; F49-L56 HydrophobicContact CD1-CD2 3.74Å; F49-L56 HydrophobicContact CD1-CG 4.19Å; F49-L56 HydrophobicContact CE1-CD2 4.4Å; F49-L56 HydrophobicContact CG-CD2 4.11Å; F49-R57 CarbonylContact C-O 3.49Å; F49-R57 VanDerWaalsContact CA-O 3.24Å; F49-R57 WeakPolarHBondContact CA-O 3.38Å; F49-I58 HydrophobicContact CD1-CB 4.08Å; F49-I58 HydrophobicContact CD1-CG1 4.04Å; F49-I58 HydrophobicContact CE1-CB 4.05Å; F49-I58 HydrophobicContact CE1-CD1 3.69Å; F49-I58 HydrophobicContact CE1-CG1 3.62Å; F49-I58 HydrophobicContact CZ-CD1 4.44Å; F49-F92 HydrophobicContact CD1-CZ 4.17Å; F49-F92 HydrophobicContact CE1-CE1 4.23Å; F49-F92 AromaticContact CE1-CZ 3.55Å; F49-F92 HydrophobicContact CE1-CZ 3.55Å; F49-F92 HydrophobicContact CZ-CE1 4.17Å; F49-F92 AromaticContact CZ-CZ 3.76Å; F49-F92 HydrophobicContact CZ-CZ 3.76Å; F49-M158 HydrophobicContact CE2-CE 3.95Å; F49-M158 HydrophobicContact CE2-SD 4.46Å; F49-F200 HydrophobicContact CD2-CE2 4.11Å; F49-F200 HydrophobicContact CD2-CZ 4.26Å; F49-I205 HydrophobicContact CB-CD1 3.52Å |
| 50 | S | 97.9 | Very high | 97.4 | Very high | 16 Ų | 16 | 45.9 Ų | 45.9 | 11% | 0.112 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 170.9 | 178.1 | 55.5 | 0 | 0 | 0 | 0 | 111.4 | R25 G52 R57 | R25-S50 WeakPolarHBondContact O-CB 3.39Å; S50-G52 PolarHBondContact O-N 3.13Å; S50-G52 VanDerWaalsContact O-N 3.15Å; S50-R57 PolarHBondContact N-O 3.12Å; S50-R57 WeakPolarHBondContact O-CB 3.32Å; S50-R57 PolarHBondContact O-N 2.82Å; S50-R57 WeakPolarHBondContact OG-CD 3.21Å |
| 51 | D | 96.1 | Very high | 97.4 | Very high | 51 Ų | 51 | 46.4 Ų | 46.4 | 27% | 0.273 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 108.6 | 177.8 | 176.4 | 12.5 | 0 | 0 | 0 | 111 | K53 I205 M206 | D51-K53 WeakPolarHBondContact OD1-CA 3.45Å; D51-K53 PolarHBondContact OD1-N 2.96Å; D51-K53 WeakPolarHBondContact OD2-CE 3.41Å; D51-K53 IonicContact OD2-NZ 3.65Å; D51-K53 PolarHBondContact OD2-NZ 2.95Å; D51-I205 HydrophobicContact CB-CG2 4.41Å; D51-M206 HydrophobicContact CB-CE 4.27Å; D51-M206 HydrophobicContact CB-SD 3.86Å; D51-M206 WeakPolarHBondContact OD1-CE 3.17Å |
| 52 | G | 95.7 | Very high | 97.5 | Very high | 12 Ų | 12 | 38.7 Ų | 38.7 | 12% | 0.124 | 20% | 0.196 | C | C | . | . | trans | -90.6 | 6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | S50 S54 G55 | S50-G52 PolarHBondContact O-N 3.13Å; S50-G52 VanDerWaalsContact O-N 3.15Å; G52-S54 PolarHBondContact O-N 3.35Å; G52-G55 CarbonylContact C-O 3.47Å; G52-G55 WeakPolarHBondContact CA-O 3.27Å; G52-G55 PolarHBondContact N-O 2.9Å | ||
| 53 | K | 89.4 | Confident | 97.5 | Very high | 163 Ų | 163 | 37.2 Ų | 37.2 | 71% | 0.709 | 19% | 0.19 | S | C | * | . | S | Bend | trans | 66.1 | -62.1 | -173.9 | -50.6 | -59.8 | 175.3 | -168.2 | 0 | 114.2 | D51 G55 W148 | D51-K53 WeakPolarHBondContact OD1-CA 3.45Å; D51-K53 PolarHBondContact OD1-N 2.96Å; D51-K53 WeakPolarHBondContact OD2-CE 3.41Å; D51-K53 IonicContact OD2-NZ 3.65Å; D51-K53 PolarHBondContact OD2-NZ 2.95Å; K53-G55 VanDerWaalsContact C-N 3.28Å; K53-W148 PolarHBondContact O-NE1 2.98Å |
| 54 | S | 92.9 | Very high | 97.6 | Very high | 87 Ų | 87 | 34.6 Ų | 34.6 | 61% | 0.608 | 17% | 0.174 | S | C | * | . | S | Bend | trans | -84.1 | -3.9 | 177.7 | 56 | 0 | 0 | 0 | 0 | 113.6 | G52 W148 | G52-S54 PolarHBondContact O-N 3.35Å; S54-W148 VanDerWaalsContact C-CD1 3.44Å; S54-W148 VanDerWaalsContact O-CD1 3.32Å; S54-W148 PolarHBondContact O-N 2.78Å |
| 55 | G | 96.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.4 | -175.5 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G52 K53 I146 W148 | G52-G55 CarbonylContact C-O 3.47Å; G52-G55 WeakPolarHBondContact CA-O 3.27Å; G52-G55 PolarHBondContact N-O 2.9Å; K53-G55 VanDerWaalsContact C-N 3.28Å; G55-I146 CarbonylContact C-O 3.39Å; G55-I146 WeakPolarHBondContact CA-O 2.97Å; G55-W148 VanDerWaalsContact C-CE2 3.5Å; G55-W148 VanDerWaalsContact CA-CE2 3.46Å; G55-W148 WeakPolarHBondContact O-CZ2 3.23Å |
| 56 | L | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 118.9 | 169.6 | -169.8 | 67.6 | 0 | 0 | 0 | 108.6 | F49 I58 F92 I146 W148 F151 L202 I205 | F49-L56 HydrophobicContact CB-CD1 4.07Å; F49-L56 HydrophobicContact CB-CD2 4.24Å; F49-L56 HydrophobicContact CB-CG 4.23Å; F49-L56 HydrophobicContact CD1-CD2 3.74Å; F49-L56 HydrophobicContact CD1-CG 4.19Å; F49-L56 HydrophobicContact CE1-CD2 4.4Å; F49-L56 HydrophobicContact CG-CD2 4.11Å; L56-I58 PolarHBondContact O-N 2.71Å; L56-F92 HydrophobicContact CD2-CE1 3.73Å; L56-F92 HydrophobicContact CD2-CZ 3.7Å; L56-I146 PolarHBondContact N-O 2.89Å; L56-I146 PolarHBondContact O-N 3.45Å; L56-W148 HydrophobicContact CB-CH2 4.04Å; L56-W148 HydrophobicContact CB-CZ3 4.09Å; L56-W148 HydrophobicContact CD1-CH2 4.19Å; L56-F151 HydrophobicContact CB-CE2 3.94Å; L56-F151 HydrophobicContact CB-CZ 3.55Å; L56-F151 HydrophobicContact CD2-CE1 3.99Å; L56-F151 HydrophobicContact CD2-CZ 3.73Å; L56-F151 HydrophobicContact CG-CZ 4.3Å; L56-L202 HydrophobicContact CD1-CD2 4.01Å; L56-L202 HydrophobicContact CD2-CD2 4.16Å; L56-I205 HydrophobicContact CD1-CD1 3.79Å |
| 57 | R | 98.7 | Very high | 97.5 | Very high | 76 Ų | 76 | 36.8 Ų | 36.8 | 29% | 0.287 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 126.2 | 170.4 | 176.5 | 178.9 | -71.3 | -118 | -16.8 | 108.2 | F49 S50 E59 E143 A144 V145 | F49-R57 CarbonylContact C-O 3.49Å; F49-R57 VanDerWaalsContact CA-O 3.24Å; F49-R57 WeakPolarHBondContact CA-O 3.38Å; S50-R57 PolarHBondContact N-O 3.12Å; S50-R57 WeakPolarHBondContact O-CB 3.32Å; S50-R57 PolarHBondContact O-N 2.82Å; S50-R57 WeakPolarHBondContact OG-CD 3.21Å; R57-E59 HydrophobicContact CG-CG 4.24Å; R57-E143 IonicContact CZ-OE1 2.75Å; R57-E143 IonicContact NE-OE1 3.48Å; R57-E143 VanDerWaalsContact NH1-CD 3.34Å; R57-E143 IonicContact NH1-OE1 3.63Å; R57-E143 PolarHBondContact NH1-OE1 2.93Å; R57-E143 IonicContact NH1-OE2 3.62Å; R57-E143 IonicContact NH2-OE1 2.76Å; R57-E143 PolarHBondContact NH2-OE1 2.99Å; R57-E143 VanDerWaalsContact NH2-OE1 3.12Å; R57-A144 WeakPolarHBondContact CA-O 3.24Å; R57-V145 HydrophobicContact CB-CG2 4.4Å |
| 58 | I | 98.8 | Very high | 97.4 | Very high | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 131.4 | 169.8 | -175.3 | 175.6 | 0 | 0 | 0 | 108.7 | I47 S48 F49 L56 V60 L105 E143 A144 I146 | I47-I58 HydrophobicContact CG2-CD1 4.12Å; I47-I58 HydrophobicContact CG2-CG1 4.03Å; S48-I58 WeakPolarHBondContact O-CA 3.37Å; F49-I58 HydrophobicContact CD1-CB 4.08Å; F49-I58 HydrophobicContact CD1-CG1 4.04Å; F49-I58 HydrophobicContact CE1-CB 4.05Å; F49-I58 HydrophobicContact CE1-CD1 3.69Å; F49-I58 HydrophobicContact CE1-CG1 3.62Å; F49-I58 HydrophobicContact CZ-CD1 4.44Å; L56-I58 PolarHBondContact O-N 2.71Å; I58-V60 HydrophobicContact CD1-CG2 4.29Å; I58-V60 HydrophobicContact CG1-CG2 4.26Å; I58-L105 HydrophobicContact CD1-CD1 4Å; I58-L105 HydrophobicContact CG2-CD1 4.09Å; I58-E143 WeakPolarHBondContact O-CA 3.43Å; I58-A144 HydrophobicContact CG2-CB 3.94Å; I58-A144 PolarHBondContact N-O 2.88Å; I58-A144 PolarHBondContact O-N 2.74Å; I58-I146 HydrophobicContact CB-CD1 4.09Å; I58-I146 HydrophobicContact CG2-CD1 3.85Å; I58-I146 HydrophobicContact CG2-CG1 4Å |
| 59 | E | 98.8 | Very high | 97.3 | Very high | 60 Ų | 60 | 45.1 Ų | 45.1 | 28% | 0.28 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 131.8 | 169.8 | -55.6 | 173.7 | 116.6 | 0 | 0 | 108.9 | K26 I47 S48 R57 G142 E143 | K26-E59 WeakPolarHBondContact CE-OE2 3.14Å; K26-E59 IonicContact NZ-OE2 3.12Å; I47-E59 CarbonylContact C-O 3.53Å; I47-E59 WeakPolarHBondContact CA-O 3.41Å; S48-E59 PolarHBondContact N-O 3.15Å; S48-E59 PolarHBondContact O-N 3.02Å; S48-E59 PolarHBondContact OG-OE2 2.54Å; R57-E59 HydrophobicContact CG-CG 4.24Å; E59-G142 CarbonylContact C-O 3.54Å; E59-G142 VanDerWaalsContact CA-O 3.29Å; E59-G142 WeakPolarHBondContact CA-O 3.32Å; E59-E143 HydrophobicContact CG-CG 4.37Å |
| 60 | V | 98.9 | Very high | 97.2 | Very high | 3 Ų | 3 | 47.6 Ų | 47.6 | 2% | 0.018 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 140.3 | 177.1 | -175.3 | 0 | 0 | 0 | 0 | 108.6 | I45 R46 I47 I58 V88 L105 W140 T141 G142 | I45-V60 HydrophobicContact CG2-CG1 4.11Å; R46-V60 CarbonylContact O-C 3.52Å; R46-V60 WeakPolarHBondContact O-CA 3.47Å; I47-V60 HydrophobicContact CG1-CG2 4.45Å; I58-V60 HydrophobicContact CD1-CG2 4.29Å; I58-V60 HydrophobicContact CG1-CG2 4.26Å; V60-V88 HydrophobicContact CG1-CB 4.07Å; V60-V88 HydrophobicContact CG1-CG1 3.97Å; V60-V88 HydrophobicContact CG1-CG2 3.88Å; V60-V88 HydrophobicContact CG2-CG1 4.12Å; V60-L105 HydrophobicContact CG2-CD1 3.99Å; V60-W140 HydrophobicContact CB-CH2 3.94Å; V60-W140 HydrophobicContact CB-CZ3 4.21Å; V60-W140 HydrophobicContact CG1-CH2 3.51Å; V60-W140 HydrophobicContact CG1-CZ2 3.65Å; V60-W140 HydrophobicContact CG1-CZ3 4.18Å; V60-T141 CarbonylContact O-C 3.49Å; V60-T141 WeakPolarHBondContact O-CA 3.38Å; V60-G142 PolarHBondContact N-O 3.22Å; V60-G142 PolarHBondContact O-N 3.22Å |
| 61 | S | 98.8 | Very high | 97.1 | Very high | 40 Ų | 40 | 47 Ų | 47 | 28% | 0.28 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 144.8 | 171.5 | 64.1 | 0 | 0 | 0 | 0 | 111.6 | R46 W140 | R46-S61 PolarHBondContact N-O 2.81Å; R46-S61 PolarHBondContact O-N 2.9Å; S61-W140 WeakPolarHBondContact CA-O 3.22Å |
| 62 | G | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 166.7 | -164.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | R139 W140 | G62-R139 VanDerWaalsContact O-CA 3.28Å; G62-R139 WeakPolarHBondContact O-CA 3.48Å; G62-W140 PolarHBondContact N-O 3.15Å; G62-W140 PolarHBondContact O-N 3.1Å |
| 63 | P | 98.6 | Very high | 96.8 | Very high | 15 Ų | 15 | 50 Ų | 50 | 10% | 0.097 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 144.9 | 173.8 | -21.8 | 33.6 | 0 | 0 | 0 | 111.7 | D43 F65 D138 W140 | D43-P63 HydrophobicContact CB-CG 3.83Å; D43-P63 WeakPolarHBondContact O-CD 3.45Å; D43-P63 WeakPolarHBondContact O-CG 3.5Å; P63-F65 HydrophobicContact CB-CD2 4.39Å; P63-F65 HydrophobicContact CB-CE1 4.13Å; P63-F65 HydrophobicContact CB-CE2 3.84Å; P63-F65 HydrophobicContact CB-CZ 3.7Å; P63-F65 HydrophobicContact CG-CE2 4.44Å; P63-F65 HydrophobicContact CG-CZ 4.08Å; P63-D138 CarbonylContact C-O 3.49Å; P63-D138 VanDerWaalsContact CA-O 3.28Å; P63-D138 WeakPolarHBondContact CA-O 3.42Å; P63-W140 PolarHBondContact O-NE1 3.12Å; P63-W140 VanDerWaalsContact O-NE1 3.1Å |
| 64 | F | 98.8 | Very high | 97 | Very high | 37 Ų | 37 | 48.8 Ų | 48.8 | 16% | 0.162 | 28% | 0.275 | C | S | . | . | trans | -105.8 | 103.8 | 168 | 174.9 | -131.9 | 0 | 0 | 0 | 108 | N66 E86 P107 H108 K135 D138 W140 | F64-N66 HydrophobicContact CD1-CB 4.27Å; F64-N66 HydrophobicContact CD2-CB 4.4Å; F64-N66 HydrophobicContact CE1-CB 3.67Å; F64-N66 HydrophobicContact CE2-CB 3.81Å; F64-N66 HydrophobicContact CZ-CB 3.42Å; F64-N66 VanDerWaalsContact CZ-CB 3.42Å; F64-N66 WeakPolarHBondContact CZ-OD1 3.44Å; F64-E86 WeakPolarHBondContact CA-OE1 3.48Å; F64-E86 WeakPolarHBondContact CD2-OE2 3.42Å; F64-E86 WeakPolarHBondContact CE2-OE2 3.14Å; F64-P107 HydrophobicContact CD2-CB 3.65Å; F64-P107 HydrophobicContact CD2-CG 3.78Å; F64-P107 HydrophobicContact CE2-CB 3.8Å; F64-P107 HydrophobicContact CE2-CG 3.78Å; F64-H108 AromaticContact CE2-CE1 3.98Å; F64-H108 AromaticContact CE2-NE2 3.51Å; F64-H108 AromaticContact CZ-CE1 3.66Å; F64-H108 AromaticContact CZ-NE2 3.64Å; F64-K135 HydrophobicContact CD1-CD 3.89Å; F64-K135 HydrophobicContact CD1-CG 4.24Å; F64-K135 HydrophobicContact CD2-CD 4.24Å; F64-K135 HydrophobicContact CE1-CD 3.48Å; F64-K135 VanDerWaalsContact CE1-CD 3.48Å; F64-K135 HydrophobicContact CE1-CG 4.32Å; F64-K135 HydrophobicContact CE2-CD 3.88Å; F64-K135 HydrophobicContact CG-CD 4.25Å; F64-K135 HydrophobicContact CG-CG 4.41Å; F64-K135 HydrophobicContact CZ-CD 3.46Å; F64-K135 VanDerWaalsContact CZ-CD 3.46Å; F64-D138 PolarHBondContact N-O 3.33Å; F64-W140 HydrophobicContact CB-CB 4.19Å; F64-W140 HydrophobicContact CB-CG 4.39Å | ||
| 65 | F | 98.3 | Very high | 97 | Very high | 60 Ų | 60 | 48.5 Ų | 48.5 | 26% | 0.263 | 27% | 0.271 | S | S | . | . | trans | -78.4 | -30 | -174.6 | -62.4 | -82.8 | 0 | 0 | 0 | 112 | H42 I45 P63 D67 E86 H164 | H42-F65 AromaticContact CD2-CZ 3.94Å; H42-F65 AromaticContact CE1-CZ 3.63Å; H42-F65 AromaticContact CG-CZ 3.91Å; H42-F65 AromaticContact ND1-CZ 3.71Å; H42-F65 AromaticContact NE2-CZ 3.76Å; I45-F65 HydrophobicContact CD1-CE2 4.4Å; P63-F65 HydrophobicContact CB-CD2 4.39Å; P63-F65 HydrophobicContact CB-CE1 4.13Å; P63-F65 HydrophobicContact CB-CE2 3.84Å; P63-F65 HydrophobicContact CB-CZ 3.7Å; P63-F65 HydrophobicContact CG-CE2 4.44Å; P63-F65 HydrophobicContact CG-CZ 4.08Å; F65-D67 PolarHBondContact O-N 3.39Å; F65-E86 HydrophobicContact CD2-CG 4.48Å; F65-E86 WeakPolarHBondContact CD2-OE1 3.42Å; F65-E86 PolarHBondContact N-OE1 2.91Å; F65-E86 PolarHBondContact N-OE2 3.12Å; F65-H164 HydrophobicContact CB-CB 3.93Å; F65-H164 AromaticContact CD1-ND1 3.71Å; F65-H164 HydrophobicContact CD2-CB 3.5Å; F65-H164 AromaticContact CD2-CD2 3.76Å; F65-H164 AromaticContact CD2-CG 3.49Å; F65-H164 VanDerWaalsContact CD2-CG 3.49Å; F65-H164 AromaticContact CE1-CE1 3.66Å; F65-H164 AromaticContact CE1-ND1 3.84Å; F65-H164 AromaticContact CE1-NE2 3.97Å; F65-H164 HydrophobicContact CE2-CB 4.12Å; F65-H164 AromaticContact CE2-CD2 3.43Å; F65-H164 VanDerWaalsContact CE2-CD2 3.43Å; F65-H164 WeakPolarHBondContact CE2-CD2 2.92Å; F65-H164 AromaticContact CE2-CG 3.65Å; F65-H164 AromaticContact CE2-NE2 3.77Å; F65-H164 HydrophobicContact CG-CB 3.74Å; F65-H164 AromaticContact CG-CG 3.7Å; F65-H164 AromaticContact CG-ND1 3.79Å; F65-H164 AromaticContact CZ-CD2 3.73Å; F65-H164 AromaticContact CZ-CE1 3.74Å; F65-H164 AromaticContact CZ-NE2 3.54Å | ||
| 66 | N | 97.8 | Very high | 96.8 | Very high | 81 Ų | 81 | 50.5 Ų | 50.5 | 43% | 0.433 | 29% | 0.292 | S | S | . | . | trans | 51 | 37.2 | -175.5 | -167.5 | 58.2 | 0 | 0 | 0 | 112.4 | F64 P68 E86 H108 | F64-N66 HydrophobicContact CD1-CB 4.27Å; F64-N66 HydrophobicContact CD2-CB 4.4Å; F64-N66 HydrophobicContact CE1-CB 3.67Å; F64-N66 HydrophobicContact CE2-CB 3.81Å; F64-N66 HydrophobicContact CZ-CB 3.42Å; F64-N66 VanDerWaalsContact CZ-CB 3.42Å; F64-N66 WeakPolarHBondContact CZ-OD1 3.44Å; N66-P68 CarbonylContact C-O 3.59Å; N66-E86 WeakPolarHBondContact CA-OE2 3.43Å; N66-E86 PolarHBondContact N-OE2 2.89Å; N66-H108 PolarHBondContact OD1-CE1 3.49Å; N66-H108 VanDerWaalsContact OD1-CE1 3.32Å; N66-H108 PolarHBondContact OD1-NE2 2.62Å | ||
| 67 | D | 98.2 | Very high | 96.5 | Very high | 60 Ų | 60 | 55.2 Ų | 55.2 | 32% | 0.321 | 32% | 0.316 | S | S | . | . | trans | -142.6 | 121.1 | 177.3 | -172.6 | 22.5 | 0 | 0 | 0 | 109.5 | F65 H164 G165 S166 | F65-D67 PolarHBondContact O-N 3.39Å; D67-H164 CarbonylContact O-C 3.56Å; D67-G165 WeakPolarHBondContact O-CA 3.4Å; D67-G165 PolarHBondContact O-N 2.58Å; D67-G165 VanDerWaalsContact OD2-CA 3.25Å; D67-G165 WeakPolarHBondContact OD2-CA 3.32Å; D67-S166 WeakPolarHBondContact OD1-CB 3.24Å; D67-S166 PolarHBondContact OD1-OG 3.41Å; D67-S166 PolarHBondContact OD2-N 2.8Å | ||
| 68 | P | 97.7 | Very high | 96.5 | Very high | 23 Ų | 23 | 52.4 Ų | 52.4 | 15% | 0.149 | 31% | 0.309 | C | S | . | . | S | Bend | cis | -65.4 | 174.5 | -5.7 | 30.6 | -37.4 | 0 | 0 | 0 | 113 | N66 N84 Y85 S166 | N66-P68 CarbonylContact C-O 3.59Å; P68-N84 WeakPolarHBondContact CG-O 3.42Å; P68-Y85 HydrophobicContact CG-CD1 3.87Å; P68-Y85 HydrophobicContact CG-CG 4.37Å; P68-S166 WeakPolarHBondContact CA-OG 3.45Å; P68-S166 VanDerWaalsContact CB-OG 3.32Å; P68-S166 WeakPolarHBondContact CB-OG 3.38Å |
| 69 | E | 96.1 | Very high | 96.4 | Very high | 162 Ų | 162 | 54.2 Ų | 54.2 | 76% | 0.757 | 32% | 0.317 | S | S | * | . | trans | -53.4 | 156.3 | 170.4 | -65.1 | -171.7 | 163.2 | 0 | 0 | 112.1 | Y85 | E69-Y85 WeakPolarHBondContact O-CD1 3.37Å; E69-Y85 VanDerWaalsContact O-CE1 3.29Å; E69-Y85 WeakPolarHBondContact O-CE1 3.46Å | ||
| 70 | S | 96.6 | Very high | 96.4 | Very high | 51 Ų | 51 | 54.6 Ų | 54.6 | 36% | 0.357 | 32% | 0.324 | S | S | . | . | trans | -41.8 | 141.9 | 177.6 | -173.7 | 0 | 0 | 0 | 0 | 113.6 | H108 | S70-H108 WeakPolarHBondContact CB-ND1 3.3Å; S70-H108 WeakPolarHBondContact OG-CB 3.29Å; S70-H108 PolarHBondContact OG-ND1 2.96Å | ||
| 71 | P | 96.5 | Very high | 96.3 | Very high | 5 Ų | 5 | 54.9 Ų | 54.9 | 3% | 0.032 | 33% | 0.327 | C | S | . | . | trans | -53 | 146.7 | 165.3 | -18.8 | 27.9 | 0 | 0 | 0 | 111.7 | G73 F79 L82 Y85 Q110 | P71-G73 PolarHBondContact O-N 3.38Å; P71-G73 VanDerWaalsContact O-N 3.1Å; P71-F79 HydrophobicContact CB-CD1 4.03Å; P71-F79 HydrophobicContact CB-CD2 4.06Å; P71-F79 HydrophobicContact CB-CE1 3.95Å; P71-F79 HydrophobicContact CB-CE2 3.96Å; P71-F79 HydrophobicContact CB-CG 4.09Å; P71-F79 HydrophobicContact CB-CZ 3.91Å; P71-L82 HydrophobicContact CB-CD1 4.41Å; P71-L82 HydrophobicContact CG-CD1 3.62Å; P71-Y85 VanDerWaalsContact CA-CE1 3.44Å; P71-Y85 HydrophobicContact CB-CD1 4.25Å; P71-Y85 HydrophobicContact CB-CD2 4.25Å; P71-Y85 HydrophobicContact CB-CE1 4.11Å; P71-Y85 HydrophobicContact CB-CE2 4.11Å; P71-Y85 HydrophobicContact CB-CG 4.31Å; P71-Y85 HydrophobicContact CG-CD1 3.76Å; P71-Y85 HydrophobicContact CG-CD2 3.92Å; P71-Y85 HydrophobicContact CG-CE1 4.14Å; P71-Y85 HydrophobicContact CG-CE2 4.28Å; P71-Y85 HydrophobicContact CG-CG 3.63Å; P71-Q110 HydrophobicContact CB-CG 4.12Å; P71-Q110 HydrophobicContact CG-CB 4.48Å; P71-Q110 HydrophobicContact CG-CG 4.22Å | ||
| 72 | A | 93.5 | Very high | 96.3 | Very high | 100 Ų | 100 | 53 Ų | 53 | 83% | 0.826 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -73.1 | 4.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 73 | G | 90.5 | Very high | 96.3 | Very high | 24 Ų | 24 | 58.3 Ų | 58.3 | 25% | 0.247 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -96.3 | 160.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | P71 Q110 | P71-G73 PolarHBondContact O-N 3.38Å; P71-G73 VanDerWaalsContact O-N 3.1Å; G73-Q110 PolarHBondContact O-NE2 3.44Å |
| 74 | E | 93.4 | Very high | 96.3 | Very high | 138 Ų | 138 | 62.2 Ų | 62.2 | 65% | 0.645 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -67.9 | 141.6 | 176.6 | -65.4 | -62.6 | 148.8 | 0 | 0 | 111.7 | I77 | E74-I77 HydrophobicContact CB-CD1 3.88Å; E74-I77 HydrophobicContact CB-CG1 4.24Å; E74-I77 PolarHBondContact O-N 2.85Å |
| 75 | P | 93.9 | Very high | 96.3 | Very high | 82 Ų | 82 | 63 Ų | 63 | 53% | 0.532 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 142.7 | 169.6 | -25.3 | 34.5 | 0 | 0 | 0 | 112 | I77 H108 | P75-I77 VanDerWaalsContact C-N 3.31Å; P75-H108 WeakPolarHBondContact CB-O 3.47Å; P75-H108 WeakPolarHBondContact CG-O 3.45Å |
| 76 | G | 91.6 | Very high | 96.3 | Very high | 41 Ų | 41 | 60.4 Ų | 60.4 | 42% | 0.423 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83 | 1.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | G109 H111 | G76-G109 WeakPolarHBondContact CA-O 3.42Å; G76-G109 PolarHBondContact N-O 3.02Å; G76-H111 PolarHBondContact O-CE1 3.32Å |
| 77 | I | 93.5 | Very high | 96.3 | Very high | 100 Ų | 100 | 56.6 Ų | 56.6 | 51% | 0.513 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -109.2 | 146.9 | 176 | -53.7 | -170.2 | 0 | 0 | 0 | 110.3 | E74 P75 H111 | E74-I77 HydrophobicContact CB-CD1 3.88Å; E74-I77 HydrophobicContact CB-CG1 4.24Å; E74-I77 PolarHBondContact O-N 2.85Å; P75-I77 VanDerWaalsContact C-N 3.31Å; I77-H111 PolarHBondContact O-N 2.84Å |
| 78 | A | 97.2 | Very high | 96.4 | Very high | 16 Ų | 16 | 54 Ų | 54 | 13% | 0.132 | 31% | 0.311 | C | S | . | . | B | Isolated β-bridge | trans | -65.6 | 134 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | H111 Q126 | A78-H111 CarbonylContact C-O 3.5Å; A78-H111 WeakPolarHBondContact CA-O 3.32Å; A78-Q126 HydrophobicContact CB-CB 3.69Å; A78-Q126 HydrophobicContact CB-CG 4.08Å |
| 79 | F | 98.1 | Very high | 96.4 | Very high | 41 Ų | 41 | 53 Ų | 53 | 18% | 0.18 | 31% | 0.305 | C | S | . | . | trans | -127.1 | 111.7 | -175.5 | -168 | -85.8 | 0 | 0 | 0 | 111.3 | P71 L82 Y85 Q110 H111 | P71-F79 HydrophobicContact CB-CD1 4.03Å; P71-F79 HydrophobicContact CB-CD2 4.06Å; P71-F79 HydrophobicContact CB-CE1 3.95Å; P71-F79 HydrophobicContact CB-CE2 3.96Å; P71-F79 HydrophobicContact CB-CG 4.09Å; P71-F79 HydrophobicContact CB-CZ 3.91Å; F79-L82 HydrophobicContact CB-CD1 4.28Å; F79-L82 HydrophobicContact CD1-CD1 4.14Å; F79-L82 WeakPolarHBondContact O-CB 3.28Å; F79-Y85 HydrophobicContact CD1-CE2 4.37Å; F79-Y85 HydrophobicContact CE1-CD2 4.31Å; F79-Y85 AromaticContact CE1-CE2 3.59Å; F79-Y85 HydrophobicContact CE1-CE2 3.59Å; F79-Y85 HydrophobicContact CZ-CE2 4.23Å; F79-Q110 HydrophobicContact CB-CB 3.85Å; F79-Q110 HydrophobicContact CB-CG 4.12Å; F79-H111 PolarHBondContact N-O 2.9Å | ||
| 80 | P | 97.7 | Very high | 96.6 | Very high | 68 Ų | 68 | 45.4 Ų | 45.4 | 44% | 0.442 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | 138.9 | 176.5 | -25.2 | 35.7 | 0 | 0 | 0 | 112.9 | Q126 | P80-Q126 VanDerWaalsContact CG-CD 3.46Å; P80-Q126 HydrophobicContact CG-CG 4.14Å |
| 81 | G | 97.5 | Very high | 96.7 | Very high | 8 Ų | 8 | 43 Ų | 43 | 8% | 0.082 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 30.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | W83 N84 | G81-W83 PolarHBondContact O-N 3.1Å; G81-N84 WeakPolarHBondContact O-CB 3.13Å; G81-N84 PolarHBondContact O-N 3.12Å; G81-N84 PolarHBondContact O-ND2 3.24Å |
| 82 | L | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -64.9 | -25.9 | -176.5 | -170.1 | 64.4 | 0 | 0 | 0 | 112.2 | P71 F79 N84 Y85 V87 E104 C106 Q110 L112 | P71-L82 HydrophobicContact CB-CD1 4.41Å; P71-L82 HydrophobicContact CG-CD1 3.62Å; F79-L82 HydrophobicContact CB-CD1 4.28Å; F79-L82 HydrophobicContact CD1-CD1 4.14Å; F79-L82 WeakPolarHBondContact O-CB 3.28Å; L82-N84 PolarHBondContact O-N 3.11Å; L82-Y85 HydrophobicContact CD1-CD2 4.39Å; L82-Y85 WeakPolarHBondContact O-CB 3.46Å; L82-Y85 PolarHBondContact O-N 3.43Å; L82-V87 HydrophobicContact CD2-CG2 4.07Å; L82-V87 HydrophobicContact CG-CG2 3.97Å; L82-E104 WeakPolarHBondContact CB-OE2 3.25Å; L82-E104 HydrophobicContact CD2-CB 4.06Å; L82-C106 HydrophobicContact CD1-CB 3.81Å; L82-C106 HydrophobicContact CD2-CB 3.95Å; L82-C106 HydrophobicContact CG-CB 4.15Å; L82-Q110 HydrophobicContact CD1-CB 3.97Å; L82-Q110 HydrophobicContact CD2-CB 4.42Å; L82-L112 HydrophobicContact CB-CB 4.21Å; L82-L112 HydrophobicContact CD2-CB 4.36Å |
| 83 | W | 98.3 | Very high | 97 | Very high | 112 Ų | 112 | 38.1 Ų | 38.1 | 42% | 0.424 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -54.6 | -9.9 | 166 | 66.4 | 81.2 | 0 | 0 | 0 | 116.2 | G81 Y85 E104 L112 I163 R170 | G81-W83 PolarHBondContact O-N 3.1Å; W83-Y85 VanDerWaalsContact C-N 3.28Å; W83-E104 PolarHBondContact N-OE2 3.32Å; W83-E104 VanDerWaalsContact N-OE2 3.1Å; W83-L112 HydrophobicContact CE3-CD2 4.22Å; W83-L112 HydrophobicContact CZ3-CD2 3.76Å; W83-I163 HydrophobicContact CB-CD1 3.95Å; W83-R170 PolarHBondContact O-NH2 3.43Å |
| 84 | N | 98.3 | Very high | 97.4 | Very high | 98 Ų | 98 | 37.2 Ų | 37.2 | 52% | 0.524 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -81.9 | -5.6 | 169.7 | -63.4 | -62.2 | 0 | 0 | 0 | 113.1 | P68 G81 L82 R170 | P68-N84 WeakPolarHBondContact CG-O 3.42Å; G81-N84 WeakPolarHBondContact O-CB 3.13Å; G81-N84 PolarHBondContact O-N 3.12Å; G81-N84 PolarHBondContact O-ND2 3.24Å; L82-N84 PolarHBondContact O-N 3.11Å; N84-R170 PolarHBondContact O-NH2 3.15Å |
| 85 | Y | 98.6 | Very high | 97.6 | Very high | 52 Ų | 52 | 32.8 Ų | 32.8 | 20% | 0.204 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -115.6 | -175.8 | -174 | -65.3 | -88 | 0 | 0 | 0 | 112.6 | P68 E69 P71 F79 L82 W83 V87 R170 | P68-Y85 HydrophobicContact CG-CD1 3.87Å; P68-Y85 HydrophobicContact CG-CG 4.37Å; E69-Y85 WeakPolarHBondContact O-CD1 3.37Å; E69-Y85 VanDerWaalsContact O-CE1 3.29Å; E69-Y85 WeakPolarHBondContact O-CE1 3.46Å; P71-Y85 VanDerWaalsContact CA-CE1 3.44Å; P71-Y85 HydrophobicContact CB-CD1 4.25Å; P71-Y85 HydrophobicContact CB-CD2 4.25Å; P71-Y85 HydrophobicContact CB-CE1 4.11Å; P71-Y85 HydrophobicContact CB-CE2 4.11Å; P71-Y85 HydrophobicContact CB-CG 4.31Å; P71-Y85 HydrophobicContact CG-CD1 3.76Å; P71-Y85 HydrophobicContact CG-CD2 3.92Å; P71-Y85 HydrophobicContact CG-CE1 4.14Å; P71-Y85 HydrophobicContact CG-CE2 4.28Å; P71-Y85 HydrophobicContact CG-CG 3.63Å; F79-Y85 HydrophobicContact CD1-CE2 4.37Å; F79-Y85 HydrophobicContact CE1-CD2 4.31Å; F79-Y85 AromaticContact CE1-CE2 3.59Å; F79-Y85 HydrophobicContact CE1-CE2 3.59Å; F79-Y85 HydrophobicContact CZ-CE2 4.23Å; L82-Y85 HydrophobicContact CD1-CD2 4.39Å; L82-Y85 WeakPolarHBondContact O-CB 3.46Å; L82-Y85 PolarHBondContact O-N 3.43Å; W83-Y85 VanDerWaalsContact C-N 3.28Å; Y85-V87 PolarHBondContact O-N 3.46Å; Y85-R170 PolarHBondContact O-NH1 2.91Å; Y85-R170 PolarHBondContact O-NH2 2.89Å |
| 86 | E | 98.8 | Very high | 97.7 | Very high | 6 Ų | 6 | 33.7 Ų | 33.7 | 3% | 0.028 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -67.3 | 120.5 | 162.6 | -173.1 | 178.5 | 173.6 | 0 | 0 | 108.6 | F64 F65 N66 C106 P107 I163 H164 | F64-E86 WeakPolarHBondContact CA-OE1 3.48Å; F64-E86 WeakPolarHBondContact CD2-OE2 3.42Å; F64-E86 WeakPolarHBondContact CE2-OE2 3.14Å; F65-E86 HydrophobicContact CD2-CG 4.48Å; F65-E86 WeakPolarHBondContact CD2-OE1 3.42Å; F65-E86 PolarHBondContact N-OE1 2.91Å; F65-E86 PolarHBondContact N-OE2 3.12Å; N66-E86 WeakPolarHBondContact CA-OE2 3.43Å; N66-E86 PolarHBondContact N-OE2 2.89Å; E86-C106 PolarHBondContact O-SG 3.34Å; E86-P107 HydrophobicContact CB-CG 4.08Å; E86-P107 HydrophobicContact CG-CG 3.77Å; E86-P107 WeakPolarHBondContact O-CD 3.22Å; E86-I163 CarbonylContact C-O 3.5Å; E86-I163 VanDerWaalsContact CA-O 3.24Å; E86-I163 WeakPolarHBondContact CA-O 3.41Å; E86-H164 HydrophobicContact CG-CB 4.13Å |
| 87 | V | 98.9 | Very high | 97.9 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.012 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 149 | -172.4 | 69.4 | 0 | 0 | 0 | 0 | 111.3 | L82 Y85 E89 E104 A162 I163 | L82-V87 HydrophobicContact CD2-CG2 4.07Å; L82-V87 HydrophobicContact CG-CG2 3.97Å; Y85-V87 PolarHBondContact O-N 3.46Å; V87-E89 HydrophobicContact CG1-CG 4.16Å; V87-E89 HydrophobicContact CG2-CG 4.25Å; V87-E104 HydrophobicContact CG2-CB 3.77Å; V87-A162 WeakPolarHBondContact O-CA 3.24Å; V87-I163 HydrophobicContact CG1-CB 3.95Å; V87-I163 HydrophobicContact CG1-CD1 3.91Å; V87-I163 HydrophobicContact CG1-CG1 3.86Å; V87-I163 PolarHBondContact N-O 2.84Å; V87-I163 PolarHBondContact O-N 2.91Å |
| 88 | V | 98.9 | Very high | 98.1 | Very high | 5 Ų | 5 | 35.8 Ų | 35.8 | 3% | 0.03 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 131.5 | 167 | 172.4 | 0 | 0 | 0 | 0 | 108.7 | I45 I47 V60 E104 L105 W140 Y161 A162 | I45-V88 HydrophobicContact CG2-CG1 4.27Å; I45-V88 HydrophobicContact CG2-CG2 3.61Å; I47-V88 HydrophobicContact CD1-CG1 3.62Å; I47-V88 HydrophobicContact CG1-CG1 3.98Å; V60-V88 HydrophobicContact CG1-CB 4.07Å; V60-V88 HydrophobicContact CG1-CG1 3.97Å; V60-V88 HydrophobicContact CG1-CG2 3.88Å; V60-V88 HydrophobicContact CG2-CG1 4.12Å; V88-E104 CarbonylContact O-C 3.54Å; V88-E104 WeakPolarHBondContact O-CA 3.19Å; V88-L105 PolarHBondContact N-O 2.89Å; V88-L105 PolarHBondContact O-N 3.36Å; V88-W140 HydrophobicContact CB-CH2 4.42Å; V88-W140 HydrophobicContact CB-CZ2 4.38Å; V88-W140 HydrophobicContact CG2-CH2 4.22Å; V88-W140 HydrophobicContact CG2-CZ2 3.7Å; V88-Y161 WeakPolarHBondContact CA-O 3.4Å; V88-A162 HydrophobicContact CG2-CB 4.2Å |
| 89 | E | 98.9 | Very high | 98.1 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 1% | 0.014 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 143.3 | -175.4 | -47.8 | -176.2 | -178.1 | 0 | 0 | 110.2 | V87 F91 V103 E104 S160 Y161 I163 F191 | V87-E89 HydrophobicContact CG1-CG 4.16Å; V87-E89 HydrophobicContact CG2-CG 4.25Å; E89-F91 HydrophobicContact CB-CD2 4.45Å; E89-F91 HydrophobicContact CB-CE2 3.81Å; E89-F91 WeakPolarHBondContact OE2-CE2 3.35Å; E89-V103 CarbonylContact C-O 3.42Å; E89-V103 VanDerWaalsContact CA-O 3.22Å; E89-V103 WeakPolarHBondContact CA-O 3.26Å; E89-E104 HydrophobicContact CB-CG 4.48Å; E89-E104 HydrophobicContact CG-CB 4.41Å; E89-E104 HydrophobicContact CG-CG 3.9Å; E89-S160 CarbonylContact O-C 3.53Å; E89-S160 WeakPolarHBondContact O-CA 3.29Å; E89-S160 WeakPolarHBondContact O-CB 3.24Å; E89-Y161 HydrophobicContact CB-CD2 4.43Å; E89-Y161 PolarHBondContact N-O 2.85Å; E89-Y161 PolarHBondContact O-N 3.14Å; E89-I163 WeakPolarHBondContact OE1-CD1 3.19Å; E89-F191 VanDerWaalsContact OE2-CD2 3.32Å; E89-F191 WeakPolarHBondContact OE2-CD2 3.36Å |
| 90 | S | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.007 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 131.7 | 171.5 | -69.5 | 0 | 0 | 0 | 0 | 110.5 | V103 S160 | S90-V103 PolarHBondContact N-O 3Å; S90-V103 PolarHBondContact O-N 2.9Å; S90-S160 PolarHBondContact OG-OG 3.2Å |
| 91 | F | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 134.2 | -175.2 | -67.9 | -110.2 | 0 | 0 | 0 | 110.3 | E89 Y100 L101 E102 M158 N159 Y161 F191 H192 F197 | E89-F91 HydrophobicContact CB-CD2 4.45Å; E89-F91 HydrophobicContact CB-CE2 3.81Å; E89-F91 WeakPolarHBondContact OE2-CE2 3.35Å; F91-Y100 AromaticContact CD1-CD2 3.74Å; F91-Y100 HydrophobicContact CD1-CD2 3.74Å; F91-Y100 AromaticContact CD1-CE2 3.86Å; F91-Y100 HydrophobicContact CD1-CE2 3.86Å; F91-Y100 HydrophobicContact CE1-CD2 4.31Å; F91-Y100 AromaticContact CE1-CE2 3.99Å; F91-Y100 HydrophobicContact CE1-CE2 3.99Å; F91-L101 CarbonylContact C-O 3.6Å; F91-L101 VanDerWaalsContact CA-O 3.26Å; F91-L101 WeakPolarHBondContact CA-O 3.24Å; F91-E102 HydrophobicContact CD1-CB 3.92Å; F91-E102 HydrophobicContact CD1-CG 4.07Å; F91-E102 HydrophobicContact CE1-CB 3.75Å; F91-E102 HydrophobicContact CE1-CG 3.48Å; F91-E102 VanDerWaalsContact CE1-CG 3.48Å; F91-E102 WeakPolarHBondContact CE1-OE2 3.43Å; F91-E102 HydrophobicContact CE2-CG 4.04Å; F91-E102 HydrophobicContact CZ-CB 4.25Å; F91-E102 HydrophobicContact CZ-CG 3.48Å; F91-E102 VanDerWaalsContact CZ-CG 3.48Å; F91-E102 WeakPolarHBondContact CZ-OE1 3.32Å; F91-M158 VanDerWaalsContact O-CA 3.24Å; F91-M158 WeakPolarHBondContact O-CA 3.33Å; F91-M158 VanDerWaalsContact O-CG 3.32Å; F91-M158 WeakPolarHBondContact O-CG 3.14Å; F91-N159 PolarHBondContact N-O 3.05Å; F91-N159 PolarHBondContact O-N 2.82Å; F91-Y161 AromaticContact CD2-CD2 3.6Å; F91-Y161 HydrophobicContact CD2-CD2 3.6Å; F91-Y161 AromaticContact CD2-CE2 3.44Å; F91-Y161 HydrophobicContact CD2-CE2 3.44Å; F91-Y161 VanDerWaalsContact CD2-CE2 3.44Å; F91-Y161 AromaticContact CE2-CD2 3.44Å; F91-Y161 HydrophobicContact CE2-CD2 3.44Å; F91-Y161 VanDerWaalsContact CE2-CD2 3.44Å; F91-Y161 AromaticContact CE2-CE2 3.51Å; F91-Y161 HydrophobicContact CE2-CE2 3.51Å; F91-Y161 HydrophobicContact CG-CE2 4.27Å; F91-Y161 HydrophobicContact CZ-CD2 4.5Å; F91-Y161 HydrophobicContact CZ-CE2 4.37Å; F91-F191 HydrophobicContact CE2-CB 4.42Å; F91-F191 HydrophobicContact CZ-CB 4.27Å; F91-H192 AromaticContact CE1-CE1 3.78Å; F91-H192 AromaticContact CE1-ND1 3.64Å; F91-F197 HydrophobicContact CB-CD2 4.36Å; F91-F197 HydrophobicContact CB-CE2 3.37Å; F91-F197 HydrophobicContact CB-CZ 3.67Å; F91-F197 HydrophobicContact CD1-CE2 4.3Å; F91-F197 AromaticContact CD1-CZ 3.99Å; F91-F197 HydrophobicContact CD1-CZ 3.99Å; F91-F197 HydrophobicContact CG-CE2 4.08Å; F91-F197 AromaticContact CG-CZ 3.87Å; F91-F197 HydrophobicContact CG-CZ 3.87Å |
| 92 | F | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 111.9 | 178 | -57.4 | -85.1 | 0 | 0 | 0 | 109.5 | F49 L56 Y100 L101 V103 I146 F151 V155 M158 F200 | F49-F92 HydrophobicContact CD1-CZ 4.17Å; F49-F92 HydrophobicContact CE1-CE1 4.23Å; F49-F92 AromaticContact CE1-CZ 3.55Å; F49-F92 HydrophobicContact CE1-CZ 3.55Å; F49-F92 HydrophobicContact CZ-CE1 4.17Å; F49-F92 AromaticContact CZ-CZ 3.76Å; F49-F92 HydrophobicContact CZ-CZ 3.76Å; L56-F92 HydrophobicContact CD2-CE1 3.73Å; L56-F92 HydrophobicContact CD2-CZ 3.7Å; F92-Y100 CarbonylContact O-C 3.58Å; F92-Y100 WeakPolarHBondContact O-CA 3.26Å; F92-Y100 VanDerWaalsContact O-CB 3.32Å; F92-Y100 WeakPolarHBondContact O-CB 3.43Å; F92-L101 HydrophobicContact CB-CB 4.39Å; F92-L101 HydrophobicContact CD2-CD2 3.98Å; F92-L101 HydrophobicContact CD2-CG 4.29Å; F92-L101 PolarHBondContact N-O 2.89Å; F92-L101 PolarHBondContact O-N 3.11Å; F92-V103 HydrophobicContact CE2-CG2 4.41Å; F92-I146 HydrophobicContact CE2-CD1 4.11Å; F92-I146 HydrophobicContact CZ-CD1 4.5Å; F92-F151 HydrophobicContact CB-CD1 3.91Å; F92-F151 HydrophobicContact CB-CE1 4Å; F92-F151 HydrophobicContact CD1-CD1 4.48Å; F92-F151 AromaticContact CD1-CE1 3.85Å; F92-F151 HydrophobicContact CD1-CE1 3.85Å; F92-F151 HydrophobicContact CD2-CD1 4.26Å; F92-F151 AromaticContact CD2-CE1 3.57Å; F92-F151 HydrophobicContact CD2-CE1 3.57Å; F92-F151 HydrophobicContact CD2-CZ 4.37Å; F92-F151 HydrophobicContact CE1-CE1 4.17Å; F92-F151 AromaticContact CE2-CE1 3.91Å; F92-F151 HydrophobicContact CE2-CE1 3.91Å; F92-F151 HydrophobicContact CE2-CZ 4.35Å; F92-F151 AromaticContact CG-CD1 3.97Å; F92-F151 HydrophobicContact CG-CD1 3.97Å; F92-F151 AromaticContact CG-CE1 3.52Å; F92-F151 HydrophobicContact CG-CE1 3.52Å; F92-F151 HydrophobicContact CZ-CE1 4.18Å; F92-V155 HydrophobicContact CB-CG1 3.89Å; F92-V155 HydrophobicContact CB-CG2 4.06Å; F92-V155 HydrophobicContact CD1-CG1 4.33Å; F92-M158 HydrophobicContact CD1-CB 4.47Å; F92-M158 HydrophobicContact CD1-CG 4.15Å; F92-M158 HydrophobicContact CE1-CG 4.06Å; F92-F200 HydrophobicContact CD1-CD1 4.18Å; F92-F200 AromaticContact CD1-CE1 3.81Å; F92-F200 HydrophobicContact CD1-CE1 3.81Å; F92-F200 HydrophobicContact CD1-CZ 4.42Å; F92-F200 HydrophobicContact CE1-CD1 4.49Å; F92-F200 AromaticContact CE1-CE1 3.8Å; F92-F200 HydrophobicContact CE1-CE1 3.8Å; F92-F200 AromaticContact CE1-CZ 3.96Å; F92-F200 HydrophobicContact CE1-CZ 3.96Å |
| 93 | L | 98.8 | Very high | 98.3 | Very high | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 134.1 | -166.6 | 169.8 | 66.3 | 0 | 0 | 0 | 110.8 | Y100 V155 D156 K157 L194 F197 | L93-Y100 HydrophobicContact CD1-CD1 4.09Å; L93-Y100 HydrophobicContact CD1-CG 4.36Å; L93-V155 WeakPolarHBondContact O-CA 3.29Å; L93-D156 PolarHBondContact O-N 2.91Å; L93-K157 HydrophobicContact CB-CB 3.97Å; L93-K157 HydrophobicContact CD2-CB 3.94Å; L93-K157 HydrophobicContact CD2-CD 4.03Å; L93-K157 HydrophobicContact CG-CB 4.18Å; L93-K157 PolarHBondContact N-O 2.81Å; L93-K157 PolarHBondContact O-N 3.25Å; L93-K157 VanDerWaalsContact O-N 3.11Å; L93-L194 HydrophobicContact CD1-CD1 4.01Å; L93-L194 HydrophobicContact CD2-CB 3.92Å; L93-L194 HydrophobicContact CD2-CD1 4.41Å; L93-L194 HydrophobicContact CD2-CD2 4.33Å; L93-L194 HydrophobicContact CD2-CG 4.44Å; L93-F197 HydrophobicContact CB-CD2 3.8Å; L93-F197 HydrophobicContact CB-CE2 4.14Å; L93-F197 HydrophobicContact CD2-CB 4.34Å; L93-F197 HydrophobicContact CD2-CD2 3.78Å; L93-F197 HydrophobicContact CD2-CE2 4.37Å; L93-F197 HydrophobicContact CD2-CG 4.29Å; L93-F197 HydrophobicContact CG-CD2 4.44Å |
| 94 | D | 97.9 | Very high | 98.4 | Very high | 4 Ų | 4 | 24.7 Ų | 24.7 | 2% | 0.021 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 98.9 | 154.1 | 176.6 | 1.3 | 0 | 0 | 0 | 108.6 | T96 K97 Q98 N99 P152 N154 | D94-T96 PolarHBondContact O-N 3.48Å; D94-T96 PolarHBondContact OD1-N 2.85Å; D94-T96 PolarHBondContact OD1-OG1 2.86Å; D94-K97 HydrophobicContact CB-CB 4.49Å; D94-K97 PolarHBondContact O-N 2.88Å; D94-K97 WeakPolarHBondContact OD2-CD 3.41Å; D94-Q98 WeakPolarHBondContact O-CA 3.45Å; D94-Q98 PolarHBondContact O-N 3.42Å; D94-N99 HydrophobicContact CB-CB 4.43Å; D94-N99 PolarHBondContact N-O 2.92Å; D94-N99 PolarHBondContact O-N 3.06Å; D94-P152 HydrophobicContact CB-CB 4.05Å; D94-P152 HydrophobicContact CB-CG 4.18Å; D94-N154 VanDerWaalsContact CA-O 3.22Å; D94-N154 WeakPolarHBondContact CA-O 3.36Å; D94-N154 HydrophobicContact CB-CB 4.45Å; D94-N154 VanDerWaalsContact CB-O 3.24Å; D94-N154 WeakPolarHBondContact CB-O 3.49Å; D94-N154 PolarHBondContact OD1-ND2 3.32Å |
| 95 | S | 97.4 | Very high | 98.4 | Very high | 46 Ų | 46 | 20 Ų | 20 | 32% | 0.322 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -23.3 | -171.3 | 82.2 | 0 | 0 | 0 | 0 | 113.2 | K97 D156 | S95-K97 PolarHBondContact O-N 3.44Å; S95-D156 VanDerWaalsContact CB-OD1 3.27Å; S95-D156 WeakPolarHBondContact CB-OD1 3.41Å; S95-D156 WeakPolarHBondContact CB-OD2 3.34Å; S95-D156 PolarHBondContact N-OD1 2.75Å; S95-D156 PolarHBondContact OG-OD1 3.26Å; S95-D156 PolarHBondContact OG-OD2 3.36Å |
| 96 | T | 96.5 | Very high | 98.4 | Very high | 100 Ų | 100 | 17.5 Ų | 17.5 | 61% | 0.613 | 9% | 0.093 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -21.2 | 179.4 | 71.3 | 0 | 0 | 0 | 0 | 112.5 | D94 | D94-T96 PolarHBondContact O-N 3.48Å; D94-T96 PolarHBondContact OD1-N 2.85Å; D94-T96 PolarHBondContact OD1-OG1 2.86Å |
| 97 | K | 96.3 | Very high | 98.4 | Very high | 90 Ų | 90 | 17.2 Ų | 17.2 | 39% | 0.391 | 9% | 0.092 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -125.4 | -13.3 | -169.4 | -81.2 | -171 | 163.3 | -157.3 | 0 | 114.1 | D94 S95 N99 A222 | D94-K97 HydrophobicContact CB-CB 4.49Å; D94-K97 PolarHBondContact O-N 2.88Å; D94-K97 WeakPolarHBondContact OD2-CD 3.41Å; S95-K97 PolarHBondContact O-N 3.44Å; K97-N99 HydrophobicContact CB-CB 4.37Å; K97-N99 PolarHBondContact O-N 3.36Å; K97-A222 WeakPolarHBondContact CB-O 3.28Å; K97-A222 WeakPolarHBondContact CD-O 3.36Å; K97-A222 WeakPolarHBondContact CD-OXT 3.46Å; K97-A222 WeakPolarHBondContact CE-OXT 3.22Å; K97-A222 VanDerWaalsContact CG-O 3.26Å; K97-A222 WeakPolarHBondContact CG-O 3.28Å; K97-A222 VanDerWaalsContact CG-OXT 3.27Å; K97-A222 WeakPolarHBondContact CG-OXT 3.18Å |
| 98 | Q | 97.3 | Very high | 98.3 | Very high | 96 Ų | 96 | 18.3 Ų | 18.3 | 45% | 0.449 | 10% | 0.097 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 33.3 | -170.9 | -54.6 | -170.6 | -50.1 | 0 | 0 | 112.7 | D94 G118 L194 | D94-Q98 WeakPolarHBondContact O-CA 3.45Å; D94-Q98 PolarHBondContact O-N 3.42Å; Q98-G118 PolarHBondContact O-N 3.25Å; Q98-L194 HydrophobicContact CB-CD1 4.28Å; Q98-L194 HydrophobicContact CG-CD1 4.46Å |
| 99 | N | 98.1 | Very high | 98.3 | Very high | 2 Ų | 2 | 18.2 Ų | 18.2 | 1% | 0.011 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 129.7 | 171.4 | -75.6 | -23.2 | 0 | 0 | 0 | 108.6 | D94 K97 L116 S117 P152 W218 A222 | D94-N99 HydrophobicContact CB-CB 4.43Å; D94-N99 PolarHBondContact N-O 2.92Å; D94-N99 PolarHBondContact O-N 3.06Å; K97-N99 HydrophobicContact CB-CB 4.37Å; K97-N99 PolarHBondContact O-N 3.36Å; N99-L116 CarbonylContact C-O 3.59Å; N99-L116 WeakPolarHBondContact CA-O 3.44Å; N99-S117 WeakPolarHBondContact OD1-CA 3.32Å; N99-S117 WeakPolarHBondContact OD1-CB 3.48Å; N99-S117 PolarHBondContact OD1-OG 3.05Å; N99-P152 HydrophobicContact CB-CB 3.94Å; N99-W218 HydrophobicContact CB-CE3 3.85Å; N99-W218 HydrophobicContact CB-CH2 4.25Å; N99-W218 HydrophobicContact CB-CZ3 3.49Å; N99-W218 VanDerWaalsContact CB-CZ3 3.49Å; N99-A222 PolarHBondContact ND2-O 3.36Å |
| 100 | Y | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 141.5 | -179.4 | 58.9 | -82.4 | 0 | 0 | 0 | 113.2 | F91 F92 L93 L116 G120 H192 L194 W218 | F91-Y100 AromaticContact CD1-CD2 3.74Å; F91-Y100 HydrophobicContact CD1-CD2 3.74Å; F91-Y100 AromaticContact CD1-CE2 3.86Å; F91-Y100 HydrophobicContact CD1-CE2 3.86Å; F91-Y100 HydrophobicContact CE1-CD2 4.31Å; F91-Y100 AromaticContact CE1-CE2 3.99Å; F91-Y100 HydrophobicContact CE1-CE2 3.99Å; F92-Y100 CarbonylContact O-C 3.58Å; F92-Y100 WeakPolarHBondContact O-CA 3.26Å; F92-Y100 VanDerWaalsContact O-CB 3.32Å; F92-Y100 WeakPolarHBondContact O-CB 3.43Å; L93-Y100 HydrophobicContact CD1-CD1 4.09Å; L93-Y100 HydrophobicContact CD1-CG 4.36Å; Y100-L116 HydrophobicContact CD1-CB 4.08Å; Y100-L116 HydrophobicContact CD2-CB 3.96Å; Y100-L116 HydrophobicContact CD2-CD1 3.81Å; Y100-L116 HydrophobicContact CD2-CG 4.31Å; Y100-L116 HydrophobicContact CE1-CB 3.69Å; Y100-L116 HydrophobicContact CE2-CB 3.59Å; Y100-L116 HydrophobicContact CE2-CD1 3.58Å; Y100-L116 HydrophobicContact CE2-CD2 3.64Å; Y100-L116 HydrophobicContact CE2-CG 3.77Å; Y100-L116 HydrophobicContact CG-CB 4.2Å; Y100-L116 VanDerWaalsContact CZ-CB 3.44Å; Y100-L116 PolarHBondContact N-O 3.2Å; Y100-L116 WeakPolarHBondContact O-CD1 3.38Å; Y100-L116 PolarHBondContact O-N 2.93Å; Y100-L116 WeakPolarHBondContact OH-CD2 3.34Å; Y100-G120 WeakPolarHBondContact OH-CA 3.24Å; Y100-G120 PolarHBondContact OH-N 2.69Å; Y100-H192 AromaticContact CE2-ND1 3.68Å; Y100-H192 AromaticContact CZ-ND1 3.82Å; Y100-H192 PolarHBondContact OH-ND1 2.82Å; Y100-H192 VanDerWaalsContact OH-ND1 3.13Å; Y100-L194 HydrophobicContact CD1-CD1 4.12Å; Y100-L194 HydrophobicContact CD1-CD2 4.18Å; Y100-L194 HydrophobicContact CE1-CD1 3.96Å; Y100-L194 HydrophobicContact CE1-CD2 4.07Å; Y100-L194 HydrophobicContact CG-CD2 4.49Å; Y100-W218 WeakPolarHBondContact O-CH2 3.36Å |
| 101 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 137.8 | 168.6 | 167.3 | 66 | 0 | 0 | 0 | 108.3 | F91 F92 V103 I113 L115 I146 F151 | F91-L101 CarbonylContact C-O 3.6Å; F91-L101 VanDerWaalsContact CA-O 3.26Å; F91-L101 WeakPolarHBondContact CA-O 3.24Å; F92-L101 HydrophobicContact CB-CB 4.39Å; F92-L101 HydrophobicContact CD2-CD2 3.98Å; F92-L101 HydrophobicContact CD2-CG 4.29Å; F92-L101 PolarHBondContact N-O 2.89Å; F92-L101 PolarHBondContact O-N 3.11Å; L101-V103 HydrophobicContact CD1-CG2 4.02Å; L101-V103 HydrophobicContact CD2-CG2 3.95Å; L101-V103 HydrophobicContact CG-CG2 3.83Å; L101-I113 HydrophobicContact CD1-CG2 3.72Å; L101-L115 HydrophobicContact CD1-CD2 3.66Å; L101-I146 HydrophobicContact CD2-CG2 3.74Å; L101-F151 HydrophobicContact CD2-CD1 3.84Å; L101-F151 HydrophobicContact CD2-CD2 4.2Å; L101-F151 HydrophobicContact CD2-CE1 3.82Å; L101-F151 HydrophobicContact CD2-CE2 4.16Å; L101-F151 HydrophobicContact CD2-CG 4.05Å; L101-F151 HydrophobicContact CD2-CZ 3.97Å |
| 102 | E | 98.9 | Very high | 98.2 | Very high | 9 Ų | 9 | 18.2 Ų | 18.2 | 4% | 0.042 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 129.5 | 171.2 | 173.3 | 175.5 | -173 | 0 | 0 | 109.2 | F91 E104 I113 L114 L116 H192 | F91-E102 HydrophobicContact CD1-CB 3.92Å; F91-E102 HydrophobicContact CD1-CG 4.07Å; F91-E102 HydrophobicContact CE1-CB 3.75Å; F91-E102 HydrophobicContact CE1-CG 3.48Å; F91-E102 VanDerWaalsContact CE1-CG 3.48Å; F91-E102 WeakPolarHBondContact CE1-OE2 3.43Å; F91-E102 HydrophobicContact CE2-CG 4.04Å; F91-E102 HydrophobicContact CZ-CB 4.25Å; F91-E102 HydrophobicContact CZ-CG 3.48Å; F91-E102 VanDerWaalsContact CZ-CG 3.48Å; F91-E102 WeakPolarHBondContact CZ-OE1 3.32Å; E102-E104 HydrophobicContact CG-CG 4.3Å; E102-I113 WeakPolarHBondContact O-CA 3.27Å; E102-L114 HydrophobicContact CB-CB 4.21Å; E102-L114 HydrophobicContact CB-CD1 4.14Å; E102-L114 VanDerWaalsContact CD-CD1 3.45Å; E102-L114 HydrophobicContact CG-CD1 3.73Å; E102-L114 PolarHBondContact N-O 2.98Å; E102-L114 PolarHBondContact O-N 3.18Å; E102-L116 HydrophobicContact CB-CD1 3.7Å; E102-L116 WeakPolarHBondContact OE2-CD1 3.23Å; E102-H192 IonicContact OE1-CE1 2.8Å; E102-H192 IonicContact OE2-CE1 3.78Å; E102-H192 PolarHBondContact OE2-CE1 2.79Å |
| 103 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 110.5 | -176.3 | 179.1 | 0 | 0 | 0 | 0 | 108.7 | E89 S90 F92 L101 L105 I113 I146 | E89-V103 CarbonylContact C-O 3.42Å; E89-V103 VanDerWaalsContact CA-O 3.22Å; E89-V103 WeakPolarHBondContact CA-O 3.26Å; S90-V103 PolarHBondContact N-O 3Å; S90-V103 PolarHBondContact O-N 2.9Å; F92-V103 HydrophobicContact CE2-CG2 4.41Å; L101-V103 HydrophobicContact CD1-CG2 4.02Å; L101-V103 HydrophobicContact CD2-CG2 3.95Å; L101-V103 HydrophobicContact CG-CG2 3.83Å; V103-L105 HydrophobicContact CG1-CD1 4.48Å; V103-L105 HydrophobicContact CG1-CD2 4.15Å; V103-L105 HydrophobicContact CG1-CG 4.12Å; V103-I113 HydrophobicContact CB-CD1 4.14Å; V103-I113 HydrophobicContact CG1-CD1 3.73Å; V103-I113 HydrophobicContact CG2-CD1 4.11Å; V103-I146 HydrophobicContact CG1-CD1 4.28Å; V103-I146 HydrophobicContact CG1-CG1 4.46Å; V103-I146 HydrophobicContact CG2-CD1 3.95Å; V103-I146 HydrophobicContact CG2-CG1 4.33Å; V103-I146 HydrophobicContact CG2-CG2 4.42Å |
| 104 | E | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 129.5 | 177.4 | -55 | -177 | -137 | 0 | 0 | 110.2 | L82 W83 V87 V88 E89 E102 H111 L112 L114 | L82-E104 WeakPolarHBondContact CB-OE2 3.25Å; L82-E104 HydrophobicContact CD2-CB 4.06Å; W83-E104 PolarHBondContact N-OE2 3.32Å; W83-E104 VanDerWaalsContact N-OE2 3.1Å; V87-E104 HydrophobicContact CG2-CB 3.77Å; V88-E104 CarbonylContact O-C 3.54Å; V88-E104 WeakPolarHBondContact O-CA 3.19Å; E89-E104 HydrophobicContact CB-CG 4.48Å; E89-E104 HydrophobicContact CG-CB 4.41Å; E89-E104 HydrophobicContact CG-CG 3.9Å; E102-E104 HydrophobicContact CG-CG 4.3Å; E104-H111 CarbonylContact O-C 3.5Å; E104-H111 WeakPolarHBondContact O-CA 3.46Å; E104-H111 WeakPolarHBondContact O-CB 3.46Å; E104-L112 HydrophobicContact CB-CB 4Å; E104-L112 HydrophobicContact CG-CB 4.29Å; E104-L112 PolarHBondContact N-O 2.86Å; E104-L112 PolarHBondContact O-N 3.33Å; E104-L112 WeakPolarHBondContact OE1-CD2 3.42Å; E104-L114 WeakPolarHBondContact OE1-CD1 3.18Å |
| 105 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 120.6 | -176.9 | -58.2 | 178.9 | 0 | 0 | 0 | 110.5 | I58 V60 V88 V103 H111 L129 F131 | I58-L105 HydrophobicContact CD1-CD1 4Å; I58-L105 HydrophobicContact CG2-CD1 4.09Å; V60-L105 HydrophobicContact CG2-CD1 3.99Å; V88-L105 PolarHBondContact N-O 2.89Å; V88-L105 PolarHBondContact O-N 3.36Å; V103-L105 HydrophobicContact CG1-CD1 4.48Å; V103-L105 HydrophobicContact CG1-CD2 4.15Å; V103-L105 HydrophobicContact CG1-CG 4.12Å; L105-H111 HydrophobicContact CD2-CB 4.13Å; L105-L129 HydrophobicContact CD2-CD2 3.9Å; L105-F131 HydrophobicContact CB-CE1 4.26Å; L105-F131 HydrophobicContact CB-CE2 4.07Å; L105-F131 HydrophobicContact CB-CZ 3.83Å; L105-F131 HydrophobicContact CD1-CD2 4.35Å; L105-F131 HydrophobicContact CD1-CE2 4.05Å; L105-F131 HydrophobicContact CD2-CB 4.49Å; L105-F131 HydrophobicContact CD2-CD1 4.21Å; L105-F131 HydrophobicContact CD2-CD2 3.82Å; L105-F131 HydrophobicContact CD2-CE1 4.4Å; L105-F131 HydrophobicContact CD2-CE2 4.03Å; L105-F131 HydrophobicContact CD2-CG 3.93Å; L105-F131 HydrophobicContact CD2-CZ 4.33Å; L105-F131 HydrophobicContact CG-CE2 4.28Å; L105-F131 HydrophobicContact CG-CZ 4.49Å |
| 106 | C | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.082 | C | C | . | . | trans | -99.7 | 139.9 | 179.8 | 179.4 | 0 | 0 | 0 | 0 | 111.5 | L82 E86 H108 G109 Q110 F131 | L82-C106 HydrophobicContact CD1-CB 3.81Å; L82-C106 HydrophobicContact CD2-CB 3.95Å; L82-C106 HydrophobicContact CG-CB 4.15Å; E86-C106 PolarHBondContact O-SG 3.34Å; C106-H108 PolarHBondContact O-N 2.85Å; C106-H108 PolarHBondContact SG-N 3.42Å; C106-G109 PolarHBondContact O-N 3.39Å; C106-Q110 HydrophobicContact CB-CB 4.41Å; C106-Q110 WeakPolarHBondContact CB-O 3.44Å; C106-Q110 PolarHBondContact N-O 2.9Å; C106-F131 WeakPolarHBondContact O-CE1 3.41Å | ||
| 107 | P | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.058 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -9.9 | 173.4 | 23.1 | -33.8 | 0 | 0 | 0 | 114.6 | F64 E86 T133 K135 W140 | F64-P107 HydrophobicContact CD2-CB 3.65Å; F64-P107 HydrophobicContact CD2-CG 3.78Å; F64-P107 HydrophobicContact CE2-CB 3.8Å; F64-P107 HydrophobicContact CE2-CG 3.78Å; E86-P107 HydrophobicContact CB-CG 4.08Å; E86-P107 HydrophobicContact CG-CG 3.77Å; E86-P107 WeakPolarHBondContact O-CD 3.22Å; P107-T133 WeakPolarHBondContact O-CG2 3.33Å; P107-K135 PolarHBondContact O-NZ 3.02Å; P107-W140 HydrophobicContact CB-CB 4.12Å; P107-W140 HydrophobicContact CB-CD2 3.58Å; P107-W140 HydrophobicContact CB-CE3 3.94Å; P107-W140 HydrophobicContact CB-CG 3.66Å; P107-W140 HydrophobicContact CB-CZ2 4.47Å |
| 108 | H | 98.1 | Very high | 98.4 | Very high | 24 Ų | 24 | 8.8 Ų | 8.8 | 11% | 0.111 | 5% | 0.049 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -3.7 | 173.6 | -63.9 | -88.7 | 0 | 0 | 0 | 113.9 | F64 N66 S70 P75 C106 Q110 K135 | F64-H108 AromaticContact CE2-CE1 3.98Å; F64-H108 AromaticContact CE2-NE2 3.51Å; F64-H108 AromaticContact CZ-CE1 3.66Å; F64-H108 AromaticContact CZ-NE2 3.64Å; N66-H108 PolarHBondContact OD1-CE1 3.49Å; N66-H108 VanDerWaalsContact OD1-CE1 3.32Å; N66-H108 PolarHBondContact OD1-NE2 2.62Å; S70-H108 WeakPolarHBondContact CB-ND1 3.3Å; S70-H108 WeakPolarHBondContact OG-CB 3.29Å; S70-H108 PolarHBondContact OG-ND1 2.96Å; P75-H108 WeakPolarHBondContact CB-O 3.47Å; P75-H108 WeakPolarHBondContact CG-O 3.45Å; C106-H108 PolarHBondContact O-N 2.85Å; C106-H108 PolarHBondContact SG-N 3.42Å; H108-Q110 PolarHBondContact O-OE1 2.93Å; H108-K135 PolarHBondContact ND1-NZ 3.03Å |
| 109 | G | 98.1 | Very high | 98.5 | Very high | 3 Ų | 3 | 8.1 Ų | 8.1 | 3% | 0.031 | 5% | 0.052 | C | C | . | . | S | Bend | trans | 98.4 | -6.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | G76 C106 F131 | G76-G109 WeakPolarHBondContact CA-O 3.42Å; G76-G109 PolarHBondContact N-O 3.02Å; C106-G109 PolarHBondContact O-N 3.39Å; G109-F131 WeakPolarHBondContact O-CD1 3.32Å |
| 110 | Q | 98.3 | Very high | 98.3 | Very high | 1 Ų | 1 | 10.1 Ų | 10.1 | 1% | 0.005 | 7% | 0.072 | C | C | . | . | trans | -72 | 153.2 | 168.6 | -58.1 | 78 | 8.1 | 0 | 0 | 109.9 | P71 G73 F79 L82 C106 H108 | P71-Q110 HydrophobicContact CB-CG 4.12Å; P71-Q110 HydrophobicContact CG-CB 4.48Å; P71-Q110 HydrophobicContact CG-CG 4.22Å; G73-Q110 PolarHBondContact O-NE2 3.44Å; F79-Q110 HydrophobicContact CB-CB 3.85Å; F79-Q110 HydrophobicContact CB-CG 4.12Å; L82-Q110 HydrophobicContact CD1-CB 3.97Å; L82-Q110 HydrophobicContact CD2-CB 4.42Å; C106-Q110 HydrophobicContact CB-CB 4.41Å; C106-Q110 WeakPolarHBondContact CB-O 3.44Å; C106-Q110 PolarHBondContact N-O 2.9Å; H108-Q110 PolarHBondContact O-OE1 2.93Å | ||
| 111 | H | 98.6 | Very high | 98.3 | Very high | 3 Ų | 3 | 14.7 Ų | 14.7 | 1% | 0.014 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 165 | 176.1 | 58.1 | -89.2 | 0 | 0 | 0 | 110.3 | G76 I77 A78 F79 E104 L105 L129 F131 | G76-H111 PolarHBondContact O-CE1 3.32Å; I77-H111 PolarHBondContact O-N 2.84Å; A78-H111 CarbonylContact C-O 3.5Å; A78-H111 WeakPolarHBondContact CA-O 3.32Å; F79-H111 PolarHBondContact N-O 2.9Å; E104-H111 CarbonylContact O-C 3.5Å; E104-H111 WeakPolarHBondContact O-CA 3.46Å; E104-H111 WeakPolarHBondContact O-CB 3.46Å; L105-H111 HydrophobicContact CD2-CB 4.13Å; H111-L129 PolarHBondContact CE1-O 3.09Å; H111-L129 PolarHBondContact NE2-N 2.87Å; H111-L129 VanDerWaalsContact NE2-N 3.16Å; H111-F131 HydrophobicContact CB-CD1 4.46Å |
| 112 | L | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 125 | 166.1 | -177.8 | 57.6 | 0 | 0 | 0 | 108.7 | L82 W83 E104 L114 Q126 | L82-L112 HydrophobicContact CB-CB 4.21Å; L82-L112 HydrophobicContact CD2-CB 4.36Å; W83-L112 HydrophobicContact CE3-CD2 4.22Å; W83-L112 HydrophobicContact CZ3-CD2 3.76Å; E104-L112 HydrophobicContact CB-CB 4Å; E104-L112 HydrophobicContact CG-CB 4.29Å; E104-L112 PolarHBondContact N-O 2.86Å; E104-L112 PolarHBondContact O-N 3.33Å; E104-L112 WeakPolarHBondContact OE1-CD2 3.42Å; L112-L114 HydrophobicContact CD1-CG 4.42Å; L112-L114 HydrophobicContact CD2-CD1 4Å; L112-L114 HydrophobicContact CD2-CD2 4.41Å; L112-L114 HydrophobicContact CD2-CG 4.41Å; L112-L114 HydrophobicContact CG-CD1 3.83Å; L112-L114 HydrophobicContact CG-CD2 4.37Å; L112-L114 HydrophobicContact CG-CG 3.99Å; L112-Q126 HydrophobicContact CD1-CB 4.42Å; L112-Q126 HydrophobicContact CD1-CG 3.66Å |
| 113 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 123.2 | 179.6 | -49.9 | -59 | 0 | 0 | 0 | 108.3 | L101 E102 V103 Q125 Q126 L127 L129 Y150 | L101-I113 HydrophobicContact CD1-CG2 3.72Å; E102-I113 WeakPolarHBondContact O-CA 3.27Å; V103-I113 HydrophobicContact CB-CD1 4.14Å; V103-I113 HydrophobicContact CG1-CD1 3.73Å; V103-I113 HydrophobicContact CG2-CD1 4.11Å; I113-Q125 CarbonylContact O-C 3.3Å; I113-Q126 PolarHBondContact O-N 2.87Å; I113-L127 HydrophobicContact CB-CB 3.94Å; I113-L127 WeakPolarHBondContact CG1-O 3.39Å; I113-L127 HydrophobicContact CG2-CB 3.96Å; I113-L127 HydrophobicContact CG2-CD1 4.4Å; I113-L127 PolarHBondContact O-N 2.94Å; I113-L129 HydrophobicContact CD1-CB 4.29Å; I113-L129 HydrophobicContact CD1-CD2 3.64Å; I113-L129 HydrophobicContact CG1-CB 4.04Å; I113-L129 HydrophobicContact CG1-CD2 4.31Å; I113-Y150 HydrophobicContact CG2-CD2 3.82Å; I113-Y150 HydrophobicContact CG2-CE2 4.18Å |
| 114 | L | 98.8 | Very high | 98.1 | Very high | 7 Ų | 7 | 23.6 Ų | 23.6 | 4% | 0.037 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 141.3 | -176.2 | -53.9 | 126.7 | 0 | 0 | 0 | 109.9 | E102 E104 L112 L116 A122 Y124 Q125 | E102-L114 HydrophobicContact CB-CB 4.21Å; E102-L114 HydrophobicContact CB-CD1 4.14Å; E102-L114 VanDerWaalsContact CD-CD1 3.45Å; E102-L114 HydrophobicContact CG-CD1 3.73Å; E102-L114 PolarHBondContact N-O 2.98Å; E102-L114 PolarHBondContact O-N 3.18Å; E104-L114 WeakPolarHBondContact OE1-CD1 3.18Å; L112-L114 HydrophobicContact CD1-CG 4.42Å; L112-L114 HydrophobicContact CD2-CD1 4Å; L112-L114 HydrophobicContact CD2-CD2 4.41Å; L112-L114 HydrophobicContact CD2-CG 4.41Å; L112-L114 HydrophobicContact CG-CD1 3.83Å; L112-L114 HydrophobicContact CG-CD2 4.37Å; L112-L114 HydrophobicContact CG-CG 3.99Å; L114-L116 HydrophobicContact CB-CD1 3.61Å; L114-L116 HydrophobicContact CB-CG 4.39Å; L114-A122 HydrophobicContact CD2-CB 4.07Å; L114-Y124 WeakPolarHBondContact CA-O 3.34Å; L114-Q125 HydrophobicContact CD2-CB 3.87Å; L114-Q125 HydrophobicContact CD2-CG 3.7Å |
| 115 | L | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 121.1 | 168.1 | -48 | -175.3 | 0 | 0 | 0 | 108.1 | L101 A122 F123 Y124 L127 Y150 L217 W218 | L101-L115 HydrophobicContact CD1-CD2 3.66Å; L115-A122 WeakPolarHBondContact O-CA 3.39Å; L115-F123 VanDerWaalsContact C-CE1 3.48Å; L115-F123 HydrophobicContact CB-CD1 4.39Å; L115-F123 HydrophobicContact CB-CE1 3.67Å; L115-F123 HydrophobicContact CB-CE2 4.09Å; L115-F123 HydrophobicContact CB-CZ 3.5Å; L115-F123 VanDerWaalsContact CB-CZ 3.5Å; L115-F123 HydrophobicContact CD1-CE2 4.36Å; L115-F123 HydrophobicContact CD1-CZ 4.2Å; L115-F123 WeakPolarHBondContact O-CD1 3.42Å; L115-F123 WeakPolarHBondContact O-CE1 3.35Å; L115-F123 PolarHBondContact O-N 3.1Å; L115-Y124 HydrophobicContact CD1-CD2 4.3Å; L115-Y124 PolarHBondContact N-O 2.94Å; L115-Y124 PolarHBondContact O-N 2.94Å; L115-L127 HydrophobicContact CD1-CD1 4.43Å; L115-L127 HydrophobicContact CD1-CD2 4.23Å; L115-L127 HydrophobicContact CG-CD1 3.99Å; L115-L127 HydrophobicContact CG-CD2 4.46Å; L115-Y150 VanDerWaalsContact CD2-O 3.29Å; L115-Y150 WeakPolarHBondContact CD2-O 3.16Å; L115-L217 HydrophobicContact CD1-CB 3.8Å; L115-L217 HydrophobicContact CD1-CD1 3.88Å; L115-L217 HydrophobicContact CD1-CG 4.42Å; L115-W218 HydrophobicContact CB-CH2 3.8Å; L115-W218 HydrophobicContact CB-CZ2 3.83Å; L115-W218 HydrophobicContact CB-CZ3 4.46Å; L115-W218 HydrophobicContact CD1-CZ2 4.31Å; L115-W218 HydrophobicContact CD2-CH2 4.43Å; L115-W218 HydrophobicContact CD2-CZ2 3.7Å; L115-W218 HydrophobicContact CG-CZ2 4.14Å |
| 116 | L | 98.6 | Very high | 98 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 2% | 0.016 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 140.8 | -173.3 | -56.8 | 94.2 | 0 | 0 | 0 | 110.8 | N99 Y100 E102 L114 N121 A122 W218 | N99-L116 CarbonylContact C-O 3.59Å; N99-L116 WeakPolarHBondContact CA-O 3.44Å; Y100-L116 HydrophobicContact CD1-CB 4.08Å; Y100-L116 HydrophobicContact CD2-CB 3.96Å; Y100-L116 HydrophobicContact CD2-CD1 3.81Å; Y100-L116 HydrophobicContact CD2-CG 4.31Å; Y100-L116 HydrophobicContact CE1-CB 3.69Å; Y100-L116 HydrophobicContact CE2-CB 3.59Å; Y100-L116 HydrophobicContact CE2-CD1 3.58Å; Y100-L116 HydrophobicContact CE2-CD2 3.64Å; Y100-L116 HydrophobicContact CE2-CG 3.77Å; Y100-L116 HydrophobicContact CG-CB 4.2Å; Y100-L116 VanDerWaalsContact CZ-CB 3.44Å; Y100-L116 PolarHBondContact N-O 3.2Å; Y100-L116 WeakPolarHBondContact O-CD1 3.38Å; Y100-L116 PolarHBondContact O-N 2.93Å; Y100-L116 WeakPolarHBondContact OH-CD2 3.34Å; E102-L116 HydrophobicContact CB-CD1 3.7Å; E102-L116 WeakPolarHBondContact OE2-CD1 3.23Å; L114-L116 HydrophobicContact CB-CD1 3.61Å; L114-L116 HydrophobicContact CB-CG 4.39Å; L116-N121 CarbonylContact C-O 3.59Å; L116-N121 VanDerWaalsContact CA-O 3.28Å; L116-N121 WeakPolarHBondContact CA-O 3.22Å; L116-A122 HydrophobicContact CD2-CB 4.01Å; L116-A122 HydrophobicContact CG-CB 3.92Å; L116-W218 VanDerWaalsContact O-CZ3 3.29Å; L116-W218 WeakPolarHBondContact O-CZ3 3.47Å |
| 117 | S | 97.9 | Very high | 97.9 | Very high | 16 Ų | 16 | 33.7 Ų | 33.7 | 11% | 0.112 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 104.4 | 177.5 | -173.1 | 0 | 0 | 0 | 0 | 109.2 | N99 N121 | N99-S117 WeakPolarHBondContact OD1-CA 3.32Å; N99-S117 WeakPolarHBondContact OD1-CB 3.48Å; N99-S117 PolarHBondContact OD1-OG 3.05Å; S117-N121 PolarHBondContact N-O 2.86Å; S117-N121 WeakPolarHBondContact O-CB 3.38Å; S117-N121 PolarHBondContact O-ND2 3.04Å |
| 118 | G | 97.4 | Very high | 97.9 | Very high | 20 Ų | 20 | 38.2 Ų | 38.2 | 21% | 0.206 | 22% | 0.215 | C | C | . | . | S | Bend | trans | 85.6 | 157.8 | -162 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q98 G120 N121 | Q98-G118 PolarHBondContact O-N 3.25Å; G118-G120 PolarHBondContact O-N 2.87Å; G118-N121 PolarHBondContact O-N 2.86Å; G118-N121 VanDerWaalsContact O-N 3.13Å |
| 119 | V | 97.4 | Very high | 97.9 | Very high | 83 Ų | 83 | 37.6 Ų | 37.6 | 50% | 0.503 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 117.5 | -174.4 | 178.2 | 0 | 0 | 0 | 0 | 111.4 | N121 H192 L194 | V119-N121 PolarHBondContact O-N 3.48Å; V119-H192 HydrophobicContact CG1-CB 3.98Å; V119-L194 HydrophobicContact CG2-CD1 3.82Å; V119-L194 HydrophobicContact CG2-CG 4.2Å |
| 120 | G | 95.9 | Very high | 97.9 | Very high | 43 Ų | 43 | 43.5 Ų | 43.5 | 44% | 0.443 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 5.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y100 G118 A122 | Y100-G120 WeakPolarHBondContact OH-CA 3.24Å; Y100-G120 PolarHBondContact OH-N 2.69Å; G118-G120 PolarHBondContact O-N 2.87Å; G120-A122 PolarHBondContact O-N 3.31Å |
| 121 | N | 97.6 | Very high | 97.9 | Very high | 97 Ų | 97 | 44.2 Ų | 44.2 | 52% | 0.519 | 25% | 0.251 | S | S | . | . | trans | -99.9 | 83.5 | -170.7 | -178.1 | 38.7 | 0 | 0 | 0 | 112 | L116 S117 G118 V119 F123 | L116-N121 CarbonylContact C-O 3.59Å; L116-N121 VanDerWaalsContact CA-O 3.28Å; L116-N121 WeakPolarHBondContact CA-O 3.22Å; S117-N121 PolarHBondContact N-O 2.86Å; S117-N121 WeakPolarHBondContact O-CB 3.38Å; S117-N121 PolarHBondContact O-ND2 3.04Å; G118-N121 PolarHBondContact O-N 2.86Å; G118-N121 VanDerWaalsContact O-N 3.13Å; V119-N121 PolarHBondContact O-N 3.48Å; N121-F123 PolarHBondContact O-N 2.97Å | ||
| 122 | A | 97.6 | Very high | 97.8 | Very high | 26 Ų | 26 | 48.2 Ų | 48.2 | 22% | 0.215 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 121.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | L114 L115 L116 G120 Q125 | L114-A122 HydrophobicContact CD2-CB 4.07Å; L115-A122 WeakPolarHBondContact O-CA 3.39Å; L116-A122 HydrophobicContact CD2-CB 4.01Å; L116-A122 HydrophobicContact CG-CB 3.92Å; G120-A122 PolarHBondContact O-N 3.31Å; A122-Q125 HydrophobicContact CB-CG 3.97Å |
| 123 | F | 97.5 | Very high | 97.8 | Very high | 44 Ų | 44 | 49.9 Ų | 49.9 | 19% | 0.193 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | -14.9 | 176.1 | 69.1 | -88.5 | 0 | 0 | 0 | 113.3 | L115 N121 L217 W218 K221 | L115-F123 VanDerWaalsContact C-CE1 3.48Å; L115-F123 HydrophobicContact CB-CD1 4.39Å; L115-F123 HydrophobicContact CB-CE1 3.67Å; L115-F123 HydrophobicContact CB-CE2 4.09Å; L115-F123 HydrophobicContact CB-CZ 3.5Å; L115-F123 VanDerWaalsContact CB-CZ 3.5Å; L115-F123 HydrophobicContact CD1-CE2 4.36Å; L115-F123 HydrophobicContact CD1-CZ 4.2Å; L115-F123 WeakPolarHBondContact O-CD1 3.42Å; L115-F123 WeakPolarHBondContact O-CE1 3.35Å; L115-F123 PolarHBondContact O-N 3.1Å; N121-F123 PolarHBondContact O-N 2.97Å; F123-L217 WeakPolarHBondContact CE2-O 3.35Å; F123-W218 AromaticContact CE1-CE3 3.89Å; F123-W218 HydrophobicContact CE1-CE3 3.89Å; F123-W218 HydrophobicContact CE1-CH2 4.03Å; F123-W218 AromaticContact CE1-CZ3 3.44Å; F123-W218 HydrophobicContact CE1-CZ3 3.44Å; F123-W218 VanDerWaalsContact CE1-CZ3 3.44Å; F123-W218 HydrophobicContact CZ-CD2 4.15Å; F123-W218 AromaticContact CZ-CE3 3.62Å; F123-W218 HydrophobicContact CZ-CE3 3.62Å; F123-W218 HydrophobicContact CZ-CH2 4.17Å; F123-W218 AromaticContact CZ-CZ3 3.61Å; F123-W218 HydrophobicContact CZ-CZ3 3.61Å; F123-K221 HydrophobicContact CD1-CD 4.17Å; F123-K221 HydrophobicContact CD2-CD 4.2Å; F123-K221 HydrophobicContact CE1-CD 4.16Å; F123-K221 HydrophobicContact CE1-CG 4.1Å; F123-K221 HydrophobicContact CE2-CD 4.13Å; F123-K221 VanDerWaalsContact CE2-CE 3.47Å; F123-K221 HydrophobicContact CE2-CG 4.07Å; F123-K221 HydrophobicContact CG-CD 4.2Å; F123-K221 HydrophobicContact CZ-CD 4.13Å; F123-K221 HydrophobicContact CZ-CG 3.81Å |
| 124 | Y | 97.2 | Very high | 97.8 | Very high | 125 Ų | 125 | 54 Ų | 54 | 49% | 0.49 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 144.7 | 162.1 | -86.3 | -75.8 | 0 | 0 | 0 | 109.4 | L114 L115 | L114-Y124 WeakPolarHBondContact CA-O 3.34Å; L115-Y124 HydrophobicContact CD1-CD2 4.3Å; L115-Y124 PolarHBondContact N-O 2.94Å; L115-Y124 PolarHBondContact O-N 2.94Å |
| 125 | Q | 97.6 | Very high | 97.7 | Very high | 101 Ų | 101 | 57.9 Ų | 57.9 | 47% | 0.472 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 159.5 | 179.2 | -43.8 | -164.9 | 15.6 | 0 | 0 | 109.4 | I113 L114 A122 L127 | I113-Q125 CarbonylContact O-C 3.3Å; L114-Q125 HydrophobicContact CD2-CB 3.87Å; L114-Q125 HydrophobicContact CD2-CG 3.7Å; A122-Q125 HydrophobicContact CB-CG 3.97Å; Q125-L127 VanDerWaalsContact C-N 3.28Å; Q125-L127 PolarHBondContact O-N 2.85Å |
| 126 | Q | 97.7 | Very high | 97.6 | Very high | 95 Ų | 95 | 62.2 Ų | 62.2 | 44% | 0.444 | 36% | 0.358 | S | S | . | . | trans | 57.8 | 36.8 | 175.6 | -57.3 | 177.9 | -106.9 | 0 | 0 | 113.6 | A78 P80 L112 I113 | A78-Q126 HydrophobicContact CB-CB 3.69Å; A78-Q126 HydrophobicContact CB-CG 4.08Å; P80-Q126 VanDerWaalsContact CG-CD 3.46Å; P80-Q126 HydrophobicContact CG-CG 4.14Å; L112-Q126 HydrophobicContact CD1-CB 4.42Å; L112-Q126 HydrophobicContact CD1-CG 3.66Å; I113-Q126 PolarHBondContact O-N 2.87Å | ||
| 127 | L | 98 | Very high | 97.5 | Very high | 16 Ų | 16 | 65.5 Ų | 65.5 | 8% | 0.084 | 39% | 0.392 | C | S | . | . | trans | -62 | 141.1 | 170.5 | -71.6 | 85.8 | 0 | 0 | 0 | 109.6 | I113 L115 Q125 Y150 L217 | I113-L127 HydrophobicContact CB-CB 3.94Å; I113-L127 WeakPolarHBondContact CG1-O 3.39Å; I113-L127 HydrophobicContact CG2-CB 3.96Å; I113-L127 HydrophobicContact CG2-CD1 4.4Å; I113-L127 PolarHBondContact O-N 2.94Å; L115-L127 HydrophobicContact CD1-CD1 4.43Å; L115-L127 HydrophobicContact CD1-CD2 4.23Å; L115-L127 HydrophobicContact CG-CD1 3.99Å; L115-L127 HydrophobicContact CG-CD2 4.46Å; Q125-L127 VanDerWaalsContact C-N 3.28Å; Q125-L127 PolarHBondContact O-N 2.85Å; L127-Y150 HydrophobicContact CB-CD2 4.47Å; L127-Y150 HydrophobicContact CB-CE1 4.46Å; L127-Y150 HydrophobicContact CB-CE2 3.79Å; L127-Y150 HydrophobicContact CD2-CD1 3.63Å; L127-Y150 HydrophobicContact CD2-CD2 4.26Å; L127-Y150 HydrophobicContact CD2-CE1 3.41Å; L127-Y150 VanDerWaalsContact CD2-CE1 3.41Å; L127-Y150 HydrophobicContact CD2-CE2 4.04Å; L127-Y150 HydrophobicContact CD2-CG 4.08Å; L127-L217 HydrophobicContact CD2-CD1 3.81Å | ||
| 128 | P | 97.1 | Very high | 97.5 | Very high | 96 Ų | 96 | 70.4 Ų | 70.4 | 62% | 0.623 | 42% | 0.418 | S | S | * | . | trans | -67.9 | 137.2 | -177 | 27.8 | -34.7 | 0 | 0 | 0 | 111.3 | Y150 | P128-Y150 PolarHBondContact O-OH 2.84Š| ||
| 129 | L | 98 | Very high | 97.5 | Very high | 11 Ų | 11 | 73.8 Ų | 73.8 | 6% | 0.058 | 42% | 0.424 | C | S | . | . | trans | -135.3 | 131.6 | 171.9 | -173.3 | 66.3 | 0 | 0 | 0 | 110.1 | L105 H111 I113 F131 A144 V145 | L105-L129 HydrophobicContact CD2-CD2 3.9Å; H111-L129 PolarHBondContact CE1-O 3.09Å; H111-L129 PolarHBondContact NE2-N 2.87Å; H111-L129 VanDerWaalsContact NE2-N 3.16Å; I113-L129 HydrophobicContact CD1-CB 4.29Å; I113-L129 HydrophobicContact CD1-CD2 3.64Å; I113-L129 HydrophobicContact CG1-CB 4.04Å; I113-L129 HydrophobicContact CG1-CD2 4.31Å; L129-F131 PolarHBondContact O-N 3.47Å; L129-A144 HydrophobicContact CD1-CB 4.1Å; L129-A144 HydrophobicContact CD2-CB 3.66Å; L129-A144 HydrophobicContact CG-CB 3.9Å; L129-V145 WeakPolarHBondContact CD1-O 3.39Å | ||
| 130 | V | 97.8 | Very high | 97.6 | Very high | 127 Ų | 127 | 70 Ų | 70 | 77% | 0.77 | 40% | 0.401 | S | S | * | . | trans | -77.4 | 108.8 | 166.2 | 179.6 | 0 | 0 | 0 | 0 | 107.2 | A144 | V130-A144 WeakPolarHBondContact O-CB 3.39Š| ||
| 131 | F | 98.2 | Very high | 97.7 | Very high | 15 Ų | 15 | 71.4 Ų | 71.4 | 7% | 0.066 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 127.7 | -177.9 | 169.9 | -128 | 0 | 0 | 0 | 109.5 | L105 C106 G109 H111 L129 W140 E143 A144 | L105-F131 HydrophobicContact CB-CE1 4.26Å; L105-F131 HydrophobicContact CB-CE2 4.07Å; L105-F131 HydrophobicContact CB-CZ 3.83Å; L105-F131 HydrophobicContact CD1-CD2 4.35Å; L105-F131 HydrophobicContact CD1-CE2 4.05Å; L105-F131 HydrophobicContact CD2-CB 4.49Å; L105-F131 HydrophobicContact CD2-CD1 4.21Å; L105-F131 HydrophobicContact CD2-CD2 3.82Å; L105-F131 HydrophobicContact CD2-CE1 4.4Å; L105-F131 HydrophobicContact CD2-CE2 4.03Å; L105-F131 HydrophobicContact CD2-CG 3.93Å; L105-F131 HydrophobicContact CD2-CZ 4.33Å; L105-F131 HydrophobicContact CG-CE2 4.28Å; L105-F131 HydrophobicContact CG-CZ 4.49Å; C106-F131 WeakPolarHBondContact O-CE1 3.41Å; G109-F131 WeakPolarHBondContact O-CD1 3.32Å; H111-F131 HydrophobicContact CB-CD1 4.46Å; L129-F131 PolarHBondContact O-N 3.47Å; F131-W140 HydrophobicContact CZ-CZ3 4.13Å; F131-E143 WeakPolarHBondContact CD2-O 3.14Å; F131-A144 HydrophobicContact CB-CB 4.37Å; F131-A144 HydrophobicContact CD2-CB 4.23Å |
| 132 | T | 97.9 | Very high | 97.8 | Very high | 88 Ų | 88 | 67 Ų | 67 | 54% | 0.54 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 136.9 | 177.4 | -55.6 | 0 | 0 | 0 | 0 | 109 | G142 E143 | T132-G142 CarbonylContact O-C 3.51Å; T132-G142 VanDerWaalsContact O-CA 3.29Å; T132-G142 WeakPolarHBondContact O-CA 3.34Å; T132-E143 PolarHBondContact N-O 2.74Å; T132-E143 PolarHBondContact O-N 3.3Å |
| 133 | T | 98.2 | Very high | 97.8 | Very high | 35 Ų | 35 | 69.1 Ų | 69.1 | 22% | 0.215 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 145.9 | 173.8 | -176.6 | 0 | 0 | 0 | 0 | 111.2 | P107 T141 | P107-T133 WeakPolarHBondContact O-CG2 3.33Å; T133-T141 CarbonylContact C-O 3.57Å; T133-T141 WeakPolarHBondContact CA-O 2.99Å; T133-T141 WeakPolarHBondContact CB-O 3.21Å; T133-T141 PolarHBondContact OG1-O 3.32Å |
| 134 | T | 98.2 | Very high | 97.9 | Very high | 85 Ų | 85 | 67.2 Ų | 67.2 | 52% | 0.521 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 134.6 | 173.4 | -59.6 | 0 | 0 | 0 | 0 | 108.8 | W140 T141 | T134-W140 CarbonylContact O-C 3.53Å; T134-W140 WeakPolarHBondContact O-CA 3.17Å; T134-T141 PolarHBondContact N-O 2.72Å; T134-T141 PolarHBondContact O-N 2.86Å |
| 135 | K | 97.8 | Very high | 97.9 | Very high | 89 Ų | 89 | 63.1 Ų | 63.1 | 39% | 0.387 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 138.2 | 173.7 | -71.5 | 175.1 | -76.1 | -127.8 | 0 | 109.7 | F64 P107 H108 R139 W140 | F64-K135 HydrophobicContact CD1-CD 3.89Å; F64-K135 HydrophobicContact CD1-CG 4.24Å; F64-K135 HydrophobicContact CD2-CD 4.24Å; F64-K135 HydrophobicContact CE1-CD 3.48Å; F64-K135 VanDerWaalsContact CE1-CD 3.48Å; F64-K135 HydrophobicContact CE1-CG 4.32Å; F64-K135 HydrophobicContact CE2-CD 3.88Å; F64-K135 HydrophobicContact CG-CD 4.25Å; F64-K135 HydrophobicContact CG-CG 4.41Å; F64-K135 HydrophobicContact CZ-CD 3.46Å; F64-K135 VanDerWaalsContact CZ-CD 3.46Å; P107-K135 PolarHBondContact O-NZ 3.02Å; H108-K135 PolarHBondContact ND1-NZ 3.03Å; K135-R139 WeakPolarHBondContact CA-O 3.44Å; K135-W140 HydrophobicContact CG-CB 3.97Å |
| 136 | S | 96.9 | Very high | 98 | Very high | 91 Ų | 91 | 58.3 Ų | 58.3 | 64% | 0.636 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 103.2 | 177.2 | -174.5 | 0 | 0 | 0 | 0 | 109.3 | D138 R139 | S136-D138 PolarHBondContact O-N 2.78Å; S136-R139 PolarHBondContact N-O 3.16Å; S136-R139 PolarHBondContact O-N 2.84Å; S136-R139 VanDerWaalsContact O-N 3.13Å |
| 137 | G | 95.9 | Very high | 98 | Very high | 72 Ų | 72 | 55.4 Ų | 55.4 | 74% | 0.742 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | -124.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R139 | G137-R139 VanDerWaalsContact C-N 3.27Å; G137-R139 PolarHBondContact O-N 3.46Å |
| 138 | D | 97 | Very high | 97.9 | Very high | 120 Ų | 120 | 55.6 Ų | 55.6 | 64% | 0.642 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | 18.4 | 178.5 | 64.5 | -17.2 | 0 | 0 | 0 | 113 | P63 F64 S136 | P63-D138 CarbonylContact C-O 3.49Å; P63-D138 VanDerWaalsContact CA-O 3.28Å; P63-D138 WeakPolarHBondContact CA-O 3.42Å; F64-D138 PolarHBondContact N-O 3.33Å; S136-D138 PolarHBondContact O-N 2.78Å |
| 139 | R | 98.6 | Very high | 97.9 | Very high | 90 Ų | 90 | 54.3 Ų | 54.3 | 34% | 0.34 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 154.1 | -179.4 | -54.7 | -168.2 | 70.9 | 88.7 | 1.5 | 112.2 | D43 G62 K135 S136 G137 | D43-R139 IonicContact OD2-CZ 3.94Å; D43-R139 IonicContact OD2-NH1 2.87Å; D43-R139 PolarHBondContact OD2-NH1 3.37Å; G62-R139 VanDerWaalsContact O-CA 3.28Å; G62-R139 WeakPolarHBondContact O-CA 3.48Å; K135-R139 WeakPolarHBondContact CA-O 3.44Å; S136-R139 PolarHBondContact N-O 3.16Å; S136-R139 PolarHBondContact O-N 2.84Å; S136-R139 VanDerWaalsContact O-N 3.13Å; G137-R139 VanDerWaalsContact C-N 3.27Å; G137-R139 PolarHBondContact O-N 3.46Å |
| 140 | W | 98.7 | Very high | 97.9 | Very high | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.015 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 159.1 | 167.9 | 72.3 | -77.4 | 0 | 0 | 0 | 112.2 | V60 S61 G62 P63 F64 V88 P107 F131 T134 K135 | V60-W140 HydrophobicContact CB-CH2 3.94Å; V60-W140 HydrophobicContact CB-CZ3 4.21Å; V60-W140 HydrophobicContact CG1-CH2 3.51Å; V60-W140 HydrophobicContact CG1-CZ2 3.65Å; V60-W140 HydrophobicContact CG1-CZ3 4.18Å; S61-W140 WeakPolarHBondContact CA-O 3.22Å; G62-W140 PolarHBondContact N-O 3.15Å; G62-W140 PolarHBondContact O-N 3.1Å; P63-W140 PolarHBondContact O-NE1 3.12Å; P63-W140 VanDerWaalsContact O-NE1 3.1Å; F64-W140 HydrophobicContact CB-CB 4.19Å; F64-W140 HydrophobicContact CB-CG 4.39Å; V88-W140 HydrophobicContact CB-CH2 4.42Å; V88-W140 HydrophobicContact CB-CZ2 4.38Å; V88-W140 HydrophobicContact CG2-CH2 4.22Å; V88-W140 HydrophobicContact CG2-CZ2 3.7Å; P107-W140 HydrophobicContact CB-CB 4.12Å; P107-W140 HydrophobicContact CB-CD2 3.58Å; P107-W140 HydrophobicContact CB-CE3 3.94Å; P107-W140 HydrophobicContact CB-CG 3.66Å; P107-W140 HydrophobicContact CB-CZ2 4.47Å; F131-W140 HydrophobicContact CZ-CZ3 4.13Å; T134-W140 CarbonylContact O-C 3.53Å; T134-W140 WeakPolarHBondContact O-CA 3.17Å; K135-W140 HydrophobicContact CG-CB 3.97Å |
| 141 | T | 98.8 | Very high | 97.9 | Very high | 73 Ų | 73 | 48.9 Ų | 48.9 | 45% | 0.448 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 150.6 | 166.3 | 60.8 | 0 | 0 | 0 | 0 | 109.9 | V60 T133 T134 | V60-T141 CarbonylContact O-C 3.49Å; V60-T141 WeakPolarHBondContact O-CA 3.38Å; T133-T141 CarbonylContact C-O 3.57Å; T133-T141 WeakPolarHBondContact CA-O 2.99Å; T133-T141 WeakPolarHBondContact CB-O 3.21Å; T133-T141 PolarHBondContact OG1-O 3.32Å; T134-T141 PolarHBondContact N-O 2.72Å; T134-T141 PolarHBondContact O-N 2.86Å |
| 142 | G | 98.6 | Very high | 97.9 | Very high | 4 Ų | 4 | 48.2 Ų | 48.2 | 4% | 0.041 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 142.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | E59 V60 T132 | E59-G142 CarbonylContact C-O 3.54Å; E59-G142 VanDerWaalsContact CA-O 3.29Å; E59-G142 WeakPolarHBondContact CA-O 3.32Å; V60-G142 PolarHBondContact N-O 3.22Å; V60-G142 PolarHBondContact O-N 3.22Å; T132-G142 CarbonylContact O-C 3.51Å; T132-G142 VanDerWaalsContact O-CA 3.29Å; T132-G142 WeakPolarHBondContact O-CA 3.34Å |
| 143 | E | 98.6 | Very high | 97.5 | Very high | 71 Ų | 71 | 47.2 Ų | 47.2 | 33% | 0.332 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 134.6 | 176.8 | -176.4 | -173.4 | 153.3 | 0 | 0 | 110.5 | R57 I58 E59 F131 T132 | R57-E143 IonicContact CZ-OE1 2.75Å; R57-E143 IonicContact NE-OE1 3.48Å; R57-E143 VanDerWaalsContact NH1-CD 3.34Å; R57-E143 IonicContact NH1-OE1 3.63Å; R57-E143 PolarHBondContact NH1-OE1 2.93Å; R57-E143 IonicContact NH1-OE2 3.62Å; R57-E143 IonicContact NH2-OE1 2.76Å; R57-E143 PolarHBondContact NH2-OE1 2.99Å; R57-E143 VanDerWaalsContact NH2-OE1 3.12Å; I58-E143 WeakPolarHBondContact O-CA 3.43Å; E59-E143 HydrophobicContact CG-CG 4.37Å; F131-E143 WeakPolarHBondContact CD2-O 3.14Å; T132-E143 PolarHBondContact N-O 2.74Å; T132-E143 PolarHBondContact O-N 3.3Å |
| 144 | A | 98.6 | Very high | 97.3 | Very high | 3 Ų | 3 | 49.1 Ų | 49.1 | 3% | 0.025 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 160.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | R57 I58 L129 V130 F131 | R57-A144 WeakPolarHBondContact CA-O 3.24Å; I58-A144 HydrophobicContact CG2-CB 3.94Å; I58-A144 PolarHBondContact N-O 2.88Å; I58-A144 PolarHBondContact O-N 2.74Å; L129-A144 HydrophobicContact CD1-CB 4.1Å; L129-A144 HydrophobicContact CD2-CB 3.66Å; L129-A144 HydrophobicContact CG-CB 3.9Å; V130-A144 WeakPolarHBondContact O-CB 3.39Å; F131-A144 HydrophobicContact CB-CB 4.37Å; F131-A144 HydrophobicContact CD2-CB 4.23Å |
| 145 | V | 98.7 | Very high | 97.3 | Very high | 39 Ų | 39 | 45.6 Ų | 45.6 | 24% | 0.236 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 110.2 | 165.8 | 178.8 | 0 | 0 | 0 | 0 | 107.9 | R57 L129 P147 | R57-V145 HydrophobicContact CB-CG2 4.4Å; L129-V145 WeakPolarHBondContact CD1-O 3.39Å; V145-P147 WeakPolarHBondContact O-CD 3.18Å |
| 146 | I | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 115.4 | 179.4 | -54.8 | 159.3 | 0 | 0 | 0 | 107.9 | G55 L56 I58 F92 L101 V103 Y150 F151 | G55-I146 CarbonylContact C-O 3.39Å; G55-I146 WeakPolarHBondContact CA-O 2.97Å; L56-I146 PolarHBondContact N-O 2.89Å; L56-I146 PolarHBondContact O-N 3.45Å; I58-I146 HydrophobicContact CB-CD1 4.09Å; I58-I146 HydrophobicContact CG2-CD1 3.85Å; I58-I146 HydrophobicContact CG2-CG1 4Å; F92-I146 HydrophobicContact CE2-CD1 4.11Å; F92-I146 HydrophobicContact CZ-CD1 4.5Å; L101-I146 HydrophobicContact CD2-CG2 3.74Å; V103-I146 HydrophobicContact CG1-CD1 4.28Å; V103-I146 HydrophobicContact CG1-CG1 4.46Å; V103-I146 HydrophobicContact CG2-CD1 3.95Å; V103-I146 HydrophobicContact CG2-CG1 4.33Å; V103-I146 HydrophobicContact CG2-CG2 4.42Å; I146-Y150 HydrophobicContact CG2-CD2 4.37Å; I146-F151 HydrophobicContact CB-CE2 3.8Å; I146-F151 HydrophobicContact CB-CZ 3.93Å; I146-F151 HydrophobicContact CD1-CZ 4.16Å; I146-F151 HydrophobicContact CG2-CD2 4.26Å; I146-F151 HydrophobicContact CG2-CE2 3.37Å; I146-F151 HydrophobicContact CG2-CZ 3.65Å |
| 147 | P | 97.9 | Very high | 97.4 | Very high | 34 Ų | 34 | 41.1 Ų | 41.1 | 22% | 0.221 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.6 | 139.9 | -177.8 | -26.2 | 35.3 | 0 | 0 | 0 | 112.8 | V145 T149 Y150 F151 | V145-P147 WeakPolarHBondContact O-CD 3.18Å; P147-T149 PolarHBondContact O-N 2.91Å; P147-T149 VanDerWaalsContact O-N 3.1Å; P147-Y150 HydrophobicContact CB-CD1 4.12Å; P147-Y150 HydrophobicContact CB-CD2 4.47Å; P147-Y150 HydrophobicContact CB-CE1 4.18Å; P147-Y150 HydrophobicContact CB-CG 4.25Å; P147-Y150 HydrophobicContact CG-CD1 4.4Å; P147-Y150 HydrophobicContact CG-CD2 4.12Å; P147-Y150 HydrophobicContact CG-CE1 4.13Å; P147-Y150 HydrophobicContact CG-CE2 3.85Å; P147-Y150 HydrophobicContact CG-CG 4.39Å; P147-Y150 WeakPolarHBondContact O-CB 3.5Å; P147-Y150 PolarHBondContact O-N 2.98Å; P147-F151 WeakPolarHBondContact O-CD2 3.28Å |
| 148 | W | 96.8 | Very high | 97.5 | Very high | 21 Ų | 21 | 37.7 Ų | 37.7 | 8% | 0.08 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -55.9 | -30.8 | 176.1 | -68 | 124 | 0 | 0 | 0 | 113 | K53 S54 G55 L56 Y150 F151 L202 M206 W210 P213 | K53-W148 PolarHBondContact O-NE1 2.98Å; S54-W148 VanDerWaalsContact C-CD1 3.44Å; S54-W148 VanDerWaalsContact O-CD1 3.32Å; S54-W148 PolarHBondContact O-N 2.78Å; G55-W148 VanDerWaalsContact C-CE2 3.5Å; G55-W148 VanDerWaalsContact CA-CE2 3.46Å; G55-W148 WeakPolarHBondContact O-CZ2 3.23Å; L56-W148 HydrophobicContact CB-CH2 4.04Å; L56-W148 HydrophobicContact CB-CZ3 4.09Å; L56-W148 HydrophobicContact CD1-CH2 4.19Å; W148-Y150 PolarHBondContact O-N 2.82Å; W148-Y150 VanDerWaalsContact O-N 3.15Å; W148-F151 HydrophobicContact CE3-CD2 4.03Å; W148-F151 HydrophobicContact CE3-CE2 4.22Å; W148-F151 HydrophobicContact CZ3-CD2 4.49Å; W148-F151 HydrophobicContact CZ3-CE2 4.39Å; W148-F151 PolarHBondContact O-N 2.81Å; W148-L202 HydrophobicContact CH2-CD2 4.44Å; W148-L202 HydrophobicContact CZ3-CD1 4.17Å; W148-L202 HydrophobicContact CZ3-CD2 4.09Å; W148-M206 HydrophobicContact CH2-CE 4.21Å; W148-M206 HydrophobicContact CH2-CG 4.14Å; W148-M206 HydrophobicContact CH2-SD 3.82Å; W148-M206 HydrophobicContact CZ2-CE 3.56Å; W148-M206 HydrophobicContact CZ2-CG 4.41Å; W148-M206 HydrophobicContact CZ2-SD 3.72Å; W148-W210 HydrophobicContact CD2-CH2 4.34Å; W148-W210 AromaticContact CD2-CZ2 3.95Å; W148-W210 HydrophobicContact CD2-CZ2 3.95Å; W148-W210 AromaticContact CE2-CZ2 3.81Å; W148-W210 AromaticContact CE3-CH2 3.87Å; W148-W210 HydrophobicContact CE3-CH2 3.87Å; W148-W210 AromaticContact CE3-CZ2 3.96Å; W148-W210 HydrophobicContact CE3-CZ2 3.96Å; W148-W210 AromaticContact CH2-CH2 3.84Å; W148-W210 HydrophobicContact CH2-CH2 3.84Å; W148-W210 AromaticContact CH2-CZ2 3.78Å; W148-W210 HydrophobicContact CH2-CZ2 3.78Å; W148-W210 HydrophobicContact CZ2-CH2 4.3Å; W148-W210 AromaticContact CZ2-CZ2 3.75Å; W148-W210 HydrophobicContact CZ2-CZ2 3.75Å; W148-W210 AromaticContact CZ3-CH2 3.61Å; W148-W210 HydrophobicContact CZ3-CH2 3.61Å; W148-W210 AromaticContact CZ3-CZ2 3.88Å; W148-W210 HydrophobicContact CZ3-CZ2 3.88Å; W148-P213 HydrophobicContact CB-CB 4.19Å; W148-P213 HydrophobicContact CB-CG 3.88Å; W148-P213 HydrophobicContact CG-CG 3.93Å |
| 149 | T | 96.4 | Very high | 97.6 | Very high | 69 Ų | 69 | 32 Ų | 32 | 42% | 0.423 | 17% | 0.17 | S | C | . | . | G | 310 helix | trans | -63.9 | -15.3 | 176.5 | 53.9 | 0 | 0 | 0 | 0 | 113.3 | P147 S215 L217 | P147-T149 PolarHBondContact O-N 2.91Å; P147-T149 VanDerWaalsContact O-N 3.1Å; T149-S215 VanDerWaalsContact O-CB 3.28Å; T149-S215 WeakPolarHBondContact O-CB 3.38Å; T149-S215 PolarHBondContact O-OG 2.84Å; T149-L217 WeakPolarHBondContact O-CD1 3.37Å |
| 150 | Y | 98.2 | Very high | 97.6 | Very high | 24 Ų | 24 | 27.7 Ų | 27.7 | 9% | 0.094 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -86.5 | -22.9 | 179.3 | -66 | 3.5 | 0 | 0 | 0 | 112 | I113 L115 L127 P128 I146 P147 W148 L217 W218 | I113-Y150 HydrophobicContact CG2-CD2 3.82Å; I113-Y150 HydrophobicContact CG2-CE2 4.18Å; L115-Y150 VanDerWaalsContact CD2-O 3.29Å; L115-Y150 WeakPolarHBondContact CD2-O 3.16Å; L127-Y150 HydrophobicContact CB-CD2 4.47Å; L127-Y150 HydrophobicContact CB-CE1 4.46Å; L127-Y150 HydrophobicContact CB-CE2 3.79Å; L127-Y150 HydrophobicContact CD2-CD1 3.63Å; L127-Y150 HydrophobicContact CD2-CD2 4.26Å; L127-Y150 HydrophobicContact CD2-CE1 3.41Å; L127-Y150 VanDerWaalsContact CD2-CE1 3.41Å; L127-Y150 HydrophobicContact CD2-CE2 4.04Å; L127-Y150 HydrophobicContact CD2-CG 4.08Å; P128-Y150 PolarHBondContact O-OH 2.84Å; I146-Y150 HydrophobicContact CG2-CD2 4.37Å; P147-Y150 HydrophobicContact CB-CD1 4.12Å; P147-Y150 HydrophobicContact CB-CD2 4.47Å; P147-Y150 HydrophobicContact CB-CE1 4.18Å; P147-Y150 HydrophobicContact CB-CG 4.25Å; P147-Y150 HydrophobicContact CG-CD1 4.4Å; P147-Y150 HydrophobicContact CG-CD2 4.12Å; P147-Y150 HydrophobicContact CG-CE1 4.13Å; P147-Y150 HydrophobicContact CG-CE2 3.85Å; P147-Y150 HydrophobicContact CG-CG 4.39Å; P147-Y150 WeakPolarHBondContact O-CB 3.5Å; P147-Y150 PolarHBondContact O-N 2.98Å; W148-Y150 PolarHBondContact O-N 2.82Å; W148-Y150 VanDerWaalsContact O-N 3.15Å; Y150-L217 HydrophobicContact CD1-CD1 3.9Å; Y150-L217 HydrophobicContact CE1-CD1 4.25Å; Y150-W218 WeakPolarHBondContact O-CZ2 3.47Å; Y150-W218 PolarHBondContact O-NE1 3.35Å |
| 151 | F | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -77.4 | 140.7 | -177.5 | -67.9 | -94.5 | 0 | 0 | 0 | 111.8 | L56 F92 L101 I146 P147 W148 V155 W218 | L56-F151 HydrophobicContact CB-CE2 3.94Å; L56-F151 HydrophobicContact CB-CZ 3.55Å; L56-F151 HydrophobicContact CD2-CE1 3.99Å; L56-F151 HydrophobicContact CD2-CZ 3.73Å; L56-F151 HydrophobicContact CG-CZ 4.3Å; F92-F151 HydrophobicContact CB-CD1 3.91Å; F92-F151 HydrophobicContact CB-CE1 4Å; F92-F151 HydrophobicContact CD1-CD1 4.48Å; F92-F151 AromaticContact CD1-CE1 3.85Å; F92-F151 HydrophobicContact CD1-CE1 3.85Å; F92-F151 HydrophobicContact CD2-CD1 4.26Å; F92-F151 AromaticContact CD2-CE1 3.57Å; F92-F151 HydrophobicContact CD2-CE1 3.57Å; F92-F151 HydrophobicContact CD2-CZ 4.37Å; F92-F151 HydrophobicContact CE1-CE1 4.17Å; F92-F151 AromaticContact CE2-CE1 3.91Å; F92-F151 HydrophobicContact CE2-CE1 3.91Å; F92-F151 HydrophobicContact CE2-CZ 4.35Å; F92-F151 AromaticContact CG-CD1 3.97Å; F92-F151 HydrophobicContact CG-CD1 3.97Å; F92-F151 AromaticContact CG-CE1 3.52Å; F92-F151 HydrophobicContact CG-CE1 3.52Å; F92-F151 HydrophobicContact CZ-CE1 4.18Å; L101-F151 HydrophobicContact CD2-CD1 3.84Å; L101-F151 HydrophobicContact CD2-CD2 4.2Å; L101-F151 HydrophobicContact CD2-CE1 3.82Å; L101-F151 HydrophobicContact CD2-CE2 4.16Å; L101-F151 HydrophobicContact CD2-CG 4.05Å; L101-F151 HydrophobicContact CD2-CZ 3.97Å; I146-F151 HydrophobicContact CB-CE2 3.8Å; I146-F151 HydrophobicContact CB-CZ 3.93Å; I146-F151 HydrophobicContact CD1-CZ 4.16Å; I146-F151 HydrophobicContact CG2-CD2 4.26Å; I146-F151 HydrophobicContact CG2-CE2 3.37Å; I146-F151 HydrophobicContact CG2-CZ 3.65Å; P147-F151 WeakPolarHBondContact O-CD2 3.28Å; W148-F151 HydrophobicContact CE3-CD2 4.03Å; W148-F151 HydrophobicContact CE3-CE2 4.22Å; W148-F151 HydrophobicContact CZ3-CD2 4.49Å; W148-F151 HydrophobicContact CZ3-CE2 4.39Å; W148-F151 PolarHBondContact O-N 2.81Å; F151-V155 HydrophobicContact CB-CG2 4.21Å; F151-V155 HydrophobicContact CD1-CG2 3.98Å; F151-W218 VanDerWaalsContact O-CD1 3.29Å; F151-W218 PolarHBondContact O-NE1 3.12Å; F151-W218 VanDerWaalsContact O-NE1 3.12Å |
| 152 | P | 96.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -64.5 | 144.8 | 168.1 | 29.8 | -34.6 | 0 | 0 | 0 | 109.4 | D94 N99 N154 V155 Q212 W218 | D94-P152 HydrophobicContact CB-CB 4.05Å; D94-P152 HydrophobicContact CB-CG 4.18Å; N99-P152 HydrophobicContact CB-CB 3.94Å; P152-N154 PolarHBondContact O-N 2.97Å; P152-V155 HydrophobicContact CG-CG2 3.82Å; P152-V155 WeakPolarHBondContact O-CG2 3.46Å; P152-Q212 PolarHBondContact O-NE2 2.7Å; P152-W218 HydrophobicContact CB-CD2 4.07Å; P152-W218 HydrophobicContact CB-CE3 4.29Å; P152-W218 HydrophobicContact CB-CH2 4.26Å; P152-W218 HydrophobicContact CB-CZ2 4.02Å; P152-W218 HydrophobicContact CB-CZ3 4.39Å; P152-W218 HydrophobicContact CG-CZ2 4.33Å | ||
| 153 | P | 91.1 | Very high | 97.6 | Very high | 67 Ų | 67 | 24.6 Ų | 24.6 | 44% | 0.435 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -16.2 | -167.2 | -27.8 | 35.6 | 0 | 0 | 0 | 117.6 | ||
| 154 | N | 93.4 | Very high | 97.6 | Very high | 75 Ų | 75 | 21.9 Ų | 21.9 | 40% | 0.401 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -132 | 60.1 | -175.7 | 178.2 | 60.4 | 0 | 0 | 0 | 110.8 | D94 P152 D156 | D94-N154 VanDerWaalsContact CA-O 3.22Å; D94-N154 WeakPolarHBondContact CA-O 3.36Å; D94-N154 HydrophobicContact CB-CB 4.45Å; D94-N154 VanDerWaalsContact CB-O 3.24Å; D94-N154 WeakPolarHBondContact CB-O 3.49Å; D94-N154 PolarHBondContact OD1-ND2 3.32Å; P152-N154 PolarHBondContact O-N 2.97Å; N154-D156 PolarHBondContact O-N 3.02Å; N154-D156 VanDerWaalsContact O-N 3.15Å |
| 155 | V | 97.1 | Very high | 97.6 | Very high | 11 Ų | 11 | 21.9 Ų | 21.9 | 7% | 0.067 | 12% | 0.122 | C | C | . | . | trans | -64.2 | 118.4 | 174.5 | 179.2 | 0 | 0 | 0 | 0 | 109.6 | F92 L93 F151 P152 F200 L202 | F92-V155 HydrophobicContact CB-CG1 3.89Å; F92-V155 HydrophobicContact CB-CG2 4.06Å; F92-V155 HydrophobicContact CD1-CG1 4.33Å; L93-V155 WeakPolarHBondContact O-CA 3.29Å; F151-V155 HydrophobicContact CB-CG2 4.21Å; F151-V155 HydrophobicContact CD1-CG2 3.98Å; P152-V155 HydrophobicContact CG-CG2 3.82Å; P152-V155 WeakPolarHBondContact O-CG2 3.46Å; V155-F200 HydrophobicContact CG1-CD1 3.86Å; V155-F200 HydrophobicContact CG1-CE1 4.44Å; V155-L202 HydrophobicContact CB-CD1 4.2Å; V155-L202 HydrophobicContact CG2-CD1 4.45Å | ||
| 156 | D | 97.9 | Very high | 97.6 | Very high | 43 Ų | 43 | 22.2 Ų | 22.2 | 23% | 0.23 | 13% | 0.126 | C | C | . | . | trans | -126.4 | -10.2 | 178.5 | 70.2 | -23.4 | 0 | 0 | 0 | 113.1 | L93 S95 N154 N199 F200 | L93-D156 PolarHBondContact O-N 2.91Å; S95-D156 VanDerWaalsContact CB-OD1 3.27Å; S95-D156 WeakPolarHBondContact CB-OD1 3.41Å; S95-D156 WeakPolarHBondContact CB-OD2 3.34Å; S95-D156 PolarHBondContact N-OD1 2.75Å; S95-D156 PolarHBondContact OG-OD1 3.26Å; S95-D156 PolarHBondContact OG-OD2 3.36Å; N154-D156 PolarHBondContact O-N 3.02Å; N154-D156 VanDerWaalsContact O-N 3.15Å; D156-N199 WeakPolarHBondContact O-CA 3.29Å; D156-F200 CarbonylContact C-O 3.52Å; D156-F200 VanDerWaalsContact C-O 3.3Å; D156-F200 WeakPolarHBondContact CA-O 3.41Å; D156-F200 PolarHBondContact O-N 2.8Å | ||
| 157 | K | 98.8 | Very high | 97.5 | Very high | 43 Ų | 43 | 25.6 Ų | 25.6 | 19% | 0.187 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 150.6 | -178.4 | -74.9 | -171.6 | 176.6 | -68.8 | 0 | 112.9 | L93 F197 Q198 N199 | L93-K157 HydrophobicContact CB-CB 3.97Å; L93-K157 HydrophobicContact CD2-CB 3.94Å; L93-K157 HydrophobicContact CD2-CD 4.03Å; L93-K157 HydrophobicContact CG-CB 4.18Å; L93-K157 PolarHBondContact N-O 2.81Å; L93-K157 PolarHBondContact O-N 3.25Å; L93-K157 VanDerWaalsContact O-N 3.11Å; K157-F197 HydrophobicContact CB-CB 3.9Å; K157-F197 HydrophobicContact CD-CB 4.21Å; K157-F197 WeakPolarHBondContact CD-O 3.38Å; K157-F197 PolarHBondContact NZ-O 3.15Å; K157-Q198 CarbonylContact C-O 3.57Å; K157-Q198 WeakPolarHBondContact CA-O 3.35Å; K157-N199 PolarHBondContact NZ-OD1 3.39Å |
| 158 | M | 98.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 150.1 | 176.9 | 179.8 | -85.9 | -73.7 | 0 | 0 | 111.5 | F29 F49 F91 F92 L175 Y176 Q198 F200 | F29-M158 HydrophobicContact CD1-CE 4.18Å; F29-M158 HydrophobicContact CD2-CE 4.01Å; F29-M158 HydrophobicContact CE1-CE 3.72Å; F29-M158 HydrophobicContact CE2-CE 3.56Å; F29-M158 HydrophobicContact CG-CE 4.29Å; F29-M158 HydrophobicContact CZ-CE 3.37Å; F49-M158 HydrophobicContact CE2-CE 3.95Å; F49-M158 HydrophobicContact CE2-SD 4.46Å; F91-M158 VanDerWaalsContact O-CA 3.24Å; F91-M158 WeakPolarHBondContact O-CA 3.33Å; F91-M158 VanDerWaalsContact O-CG 3.32Å; F91-M158 WeakPolarHBondContact O-CG 3.14Å; F92-M158 HydrophobicContact CD1-CB 4.47Å; F92-M158 HydrophobicContact CD1-CG 4.15Å; F92-M158 HydrophobicContact CE1-CG 4.06Å; M158-L175 HydrophobicContact CE-CD2 3.95Å; M158-L175 HydrophobicContact SD-CD2 3.95Å; M158-Y176 HydrophobicContact CE-CE2 4.5Å; M158-Y176 WeakPolarHBondContact O-CD2 3.29Å; M158-Y176 HydrophobicContact SD-CE2 4.49Å; M158-Q198 PolarHBondContact N-O 2.72Å; M158-Q198 PolarHBondContact O-N 3.48Å; M158-F200 HydrophobicContact CB-CB 3.5Å; M158-F200 VanDerWaalsContact CB-CB 3.5Å; M158-F200 HydrophobicContact CB-CD1 4.1Å; M158-F200 HydrophobicContact CB-CD2 3.9Å; M158-F200 HydrophobicContact CB-CG 3.56Å; M158-F200 HydrophobicContact CE-CD2 3.8Å; M158-F200 HydrophobicContact CE-CE2 4.08Å; M158-F200 HydrophobicContact CG-CD2 4.3Å; M158-F200 HydrophobicContact CG-CG 4.35Å |
| 159 | N | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 159.8 | 159.1 | -155.6 | -1.7 | 0 | 0 | 0 | 109.5 | F91 Y161 Y176 F197 | F91-N159 PolarHBondContact N-O 3.05Å; F91-N159 PolarHBondContact O-N 2.82Å; N159-Y161 HydrophobicContact CB-CE2 4.03Å; N159-Y161 WeakPolarHBondContact ND2-CE1 3.1Å; N159-Y161 PolarHBondContact ND2-OH 2.87Å; N159-Y176 HydrophobicContact CB-CD2 4.28Å; N159-Y176 PolarHBondContact ND2-O 2.91Å; N159-Y176 WeakPolarHBondContact OD1-CB 3.44Å; N159-Y176 WeakPolarHBondContact OD1-CD2 3.45Å; N159-Y176 PolarHBondContact OD1-N 3.1Å; N159-F197 HydrophobicContact CB-CB 4.46Å; N159-F197 HydrophobicContact CB-CD1 3.63Å; N159-F197 HydrophobicContact CB-CD2 4.29Å; N159-F197 HydrophobicContact CB-CE1 3.89Å; N159-F197 HydrophobicContact CB-CG 3.85Å; N159-F197 HydrophobicContact CB-CZ 4.31Å |
| 160 | S | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 150.2 | 175 | -61.3 | 0 | 0 | 0 | 0 | 110.4 | E89 S90 L175 | E89-S160 CarbonylContact O-C 3.53Å; E89-S160 WeakPolarHBondContact O-CA 3.29Å; E89-S160 WeakPolarHBondContact O-CB 3.24Å; S90-S160 PolarHBondContact OG-OG 3.2Å; S160-L175 WeakPolarHBondContact O-CB 3.41Å; S160-L175 PolarHBondContact O-N 2.74Å |
| 161 | Y | 98.9 | Very high | 97.5 | Very high | 8 Ų | 8 | 30.8 Ų | 30.8 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 159.4 | -174.3 | -51.6 | -82.8 | 0 | 0 | 0 | 110.7 | V88 E89 F91 N159 E173 A174 F191 F197 | V88-Y161 WeakPolarHBondContact CA-O 3.4Å; E89-Y161 HydrophobicContact CB-CD2 4.43Å; E89-Y161 PolarHBondContact N-O 2.85Å; E89-Y161 PolarHBondContact O-N 3.14Å; F91-Y161 AromaticContact CD2-CD2 3.6Å; F91-Y161 HydrophobicContact CD2-CD2 3.6Å; F91-Y161 AromaticContact CD2-CE2 3.44Å; F91-Y161 HydrophobicContact CD2-CE2 3.44Å; F91-Y161 VanDerWaalsContact CD2-CE2 3.44Å; F91-Y161 AromaticContact CE2-CD2 3.44Å; F91-Y161 HydrophobicContact CE2-CD2 3.44Å; F91-Y161 VanDerWaalsContact CE2-CD2 3.44Å; F91-Y161 AromaticContact CE2-CE2 3.51Å; F91-Y161 HydrophobicContact CE2-CE2 3.51Å; F91-Y161 HydrophobicContact CG-CE2 4.27Å; F91-Y161 HydrophobicContact CZ-CD2 4.5Å; F91-Y161 HydrophobicContact CZ-CE2 4.37Å; N159-Y161 HydrophobicContact CB-CE2 4.03Å; N159-Y161 WeakPolarHBondContact ND2-CE1 3.1Å; N159-Y161 PolarHBondContact ND2-OH 2.87Å; Y161-E173 WeakPolarHBondContact CA-O 3.4Å; Y161-E173 VanDerWaalsContact CB-O 3.27Å; Y161-E173 WeakPolarHBondContact CB-O 3.38Å; Y161-E173 WeakPolarHBondContact CD1-O 3.25Å; Y161-A174 HydrophobicContact CD1-CB 3.55Å; Y161-A174 HydrophobicContact CE1-CB 3.68Å; Y161-F191 HydrophobicContact CD1-CB 4.3Å; Y161-F191 AromaticContact CD1-CD1 3.43Å; Y161-F191 HydrophobicContact CD1-CD1 3.43Å; Y161-F191 VanDerWaalsContact CD1-CD1 3.43Å; Y161-F191 HydrophobicContact CD1-CD2 4.03Å; Y161-F191 AromaticContact CD1-CE1 3.58Å; Y161-F191 HydrophobicContact CD1-CE1 3.58Å; Y161-F191 HydrophobicContact CD1-CE2 4.13Å; Y161-F191 AromaticContact CD1-CG 3.67Å; Y161-F191 HydrophobicContact CD1-CG 3.67Å; Y161-F191 AromaticContact CD1-CZ 3.92Å; Y161-F191 HydrophobicContact CD1-CZ 3.92Å; Y161-F191 HydrophobicContact CD2-CB 3.88Å; Y161-F191 HydrophobicContact CD2-CD1 4.46Å; Y161-F191 AromaticContact CD2-CD2 3.88Å; Y161-F191 HydrophobicContact CD2-CD2 3.88Å; Y161-F191 HydrophobicContact CD2-CE2 4.47Å; Y161-F191 AromaticContact CD2-CG 3.85Å; Y161-F191 HydrophobicContact CD2-CG 3.85Å; Y161-F191 HydrophobicContact CE1-CB 4.12Å; Y161-F191 AromaticContact CE1-CD1 3.61Å; Y161-F191 HydrophobicContact CE1-CD1 3.61Å; Y161-F191 HydrophobicContact CE1-CE1 4.15Å; Y161-F191 AromaticContact CE1-CG 3.9Å; Y161-F191 HydrophobicContact CE1-CG 3.9Å; Y161-F191 HydrophobicContact CE2-CB 3.65Å; Y161-F191 HydrophobicContact CE2-CG 4.05Å; Y161-F191 HydrophobicContact CG-CB 4.18Å; Y161-F191 AromaticContact CG-CD1 3.89Å; Y161-F191 HydrophobicContact CG-CD1 3.89Å; Y161-F191 AromaticContact CG-CD2 3.59Å; Y161-F191 HydrophobicContact CG-CD2 3.59Å; Y161-F191 HydrophobicContact CG-CE1 4.09Å; Y161-F191 AromaticContact CG-CE2 3.76Å; Y161-F191 HydrophobicContact CG-CE2 3.76Å; Y161-F191 AromaticContact CG-CG 3.63Å; Y161-F191 HydrophobicContact CG-CG 3.63Å; Y161-F191 HydrophobicContact CG-CZ 4.01Å; Y161-F191 PolarHBondContact OH-O 2.84Å; Y161-F197 WeakPolarHBondContact OH-CE1 3.45Å |
| 162 | A | 98.9 | Very high | 97.5 | Very high | 2 Ų | 2 | 34.3 Ų | 34.3 | 2% | 0.017 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 141.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | I31 I45 V87 V88 E173 | I31-A162 HydrophobicContact CD1-CB 4.11Å; I45-A162 HydrophobicContact CB-CB 4.34Å; I45-A162 HydrophobicContact CG1-CB 3.88Å; V87-A162 WeakPolarHBondContact O-CA 3.24Å; V88-A162 HydrophobicContact CG2-CB 4.2Å; A162-E173 HydrophobicContact CB-CB 4.26Å; A162-E173 PolarHBondContact N-O 3.46Å; A162-E173 VanDerWaalsContact N-O 3.14Å; A162-E173 PolarHBondContact O-N 2.68Å |
| 163 | I | 98.9 | Very high | 97.6 | Very high | 5 Ų | 5 | 34.3 Ų | 34.3 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 135.3 | 174.3 | -36.3 | 178.4 | 0 | 0 | 0 | 108.2 | W83 E86 V87 E89 R170 T171 Y172 F191 | W83-I163 HydrophobicContact CB-CD1 3.95Å; E86-I163 CarbonylContact C-O 3.5Å; E86-I163 VanDerWaalsContact CA-O 3.24Å; E86-I163 WeakPolarHBondContact CA-O 3.41Å; V87-I163 HydrophobicContact CG1-CB 3.95Å; V87-I163 HydrophobicContact CG1-CD1 3.91Å; V87-I163 HydrophobicContact CG1-CG1 3.86Å; V87-I163 PolarHBondContact N-O 2.84Å; V87-I163 PolarHBondContact O-N 2.91Å; E89-I163 WeakPolarHBondContact OE1-CD1 3.19Å; I163-R170 VanDerWaalsContact CG2-NE 3.32Å; I163-T171 WeakPolarHBondContact CA-O 3.44Å; I163-T171 VanDerWaalsContact CG2-O 3.24Å; I163-T171 WeakPolarHBondContact CG2-O 3.17Å; I163-Y172 HydrophobicContact CD1-CD1 4.14Å; I163-Y172 HydrophobicContact CD1-CE1 4.27Å; I163-Y172 HydrophobicContact CG1-CD1 4.17Å; I163-Y172 HydrophobicContact CG2-CD1 3.59Å; I163-Y172 HydrophobicContact CG2-CE1 3.66Å; I163-Y172 HydrophobicContact CG2-CG 4.25Å; I163-F191 HydrophobicContact CD1-CD2 4.43Å; I163-F191 HydrophobicContact CD1-CE2 3.64Å; I163-F191 HydrophobicContact CD1-CZ 4.4Å; I163-F191 HydrophobicContact CG1-CE2 3.62Å; I163-F191 HydrophobicContact CG1-CZ 4.11Å |
| 164 | H | 98.7 | Very high | 98 | Very high | 14 Ų | 14 | 31.2 Ų | 31.2 | 7% | 0.065 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 175.6 | 176.5 | 63 | 82.9 | 0 | 0 | 0 | 110.2 | H42 F65 D67 E86 T171 E173 | H42-H164 AromaticContact NE2-CE1 3.94Å; H42-H164 AromaticContact NE2-NE2 3.5Å; H42-H164 PolarHBondContact NE2-NE2 3.21Å; F65-H164 HydrophobicContact CB-CB 3.93Å; F65-H164 AromaticContact CD1-ND1 3.71Å; F65-H164 HydrophobicContact CD2-CB 3.5Å; F65-H164 AromaticContact CD2-CD2 3.76Å; F65-H164 AromaticContact CD2-CG 3.49Å; F65-H164 VanDerWaalsContact CD2-CG 3.49Å; F65-H164 AromaticContact CE1-CE1 3.66Å; F65-H164 AromaticContact CE1-ND1 3.84Å; F65-H164 AromaticContact CE1-NE2 3.97Å; F65-H164 HydrophobicContact CE2-CB 4.12Å; F65-H164 AromaticContact CE2-CD2 3.43Å; F65-H164 VanDerWaalsContact CE2-CD2 3.43Å; F65-H164 WeakPolarHBondContact CE2-CD2 2.92Å; F65-H164 AromaticContact CE2-CG 3.65Å; F65-H164 AromaticContact CE2-NE2 3.77Å; F65-H164 HydrophobicContact CG-CB 3.74Å; F65-H164 AromaticContact CG-CG 3.7Å; F65-H164 AromaticContact CG-ND1 3.79Å; F65-H164 AromaticContact CZ-CD2 3.73Å; F65-H164 AromaticContact CZ-CE1 3.74Å; F65-H164 AromaticContact CZ-NE2 3.54Å; D67-H164 CarbonylContact O-C 3.56Å; E86-H164 HydrophobicContact CG-CB 4.13Å; H164-T171 PolarHBondContact N-O 3Å; H164-T171 PolarHBondContact O-N 3.19Å; H164-E173 IonicContact CD2-OE1 2.98Å; H164-E173 PolarHBondContact CD2-OE1 2.83Å; H164-E173 IonicContact CE1-OE1 3.53Å; H164-E173 IonicContact NE2-OE1 3.73Å; H164-E173 PolarHBondContact NE2-OE1 2.93Å |
| 165 | G | 98.3 | Very high | 98.2 | Very high | 4 Ų | 4 | 28.6 Ų | 28.6 | 4% | 0.041 | 19% | 0.19 | C | C | . | . | trans | 75.5 | 169 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | D67 R170 | D67-G165 WeakPolarHBondContact O-CA 3.4Å; D67-G165 PolarHBondContact O-N 2.58Å; D67-G165 VanDerWaalsContact OD2-CA 3.25Å; D67-G165 WeakPolarHBondContact OD2-CA 3.32Å; G165-R170 WeakPolarHBondContact O-CD 3.38Å; G165-R170 PolarHBondContact O-NH1 2.98Å | ||
| 166 | S | 97.9 | Very high | 98.3 | Very high | 45 Ų | 45 | 31 Ų | 31 | 32% | 0.315 | 20% | 0.198 | S | C | . | . | trans | -131 | 155.9 | 177.4 | -67.4 | 0 | 0 | 0 | 0 | 113.1 | D67 P68 A168 A169 R170 | D67-S166 WeakPolarHBondContact OD1-CB 3.24Å; D67-S166 PolarHBondContact OD1-OG 3.41Å; D67-S166 PolarHBondContact OD2-N 2.8Å; P68-S166 WeakPolarHBondContact CA-OG 3.45Å; P68-S166 VanDerWaalsContact CB-OG 3.32Å; P68-S166 WeakPolarHBondContact CB-OG 3.38Å; S166-A168 PolarHBondContact O-N 2.89Å; S166-A169 PolarHBondContact O-N 2.93Å; S166-R170 PolarHBondContact O-N 2.83Å | ||
| 167 | G | 96.8 | Very high | 98.4 | Very high | 71 Ų | 71 | 30.1 Ų | 30.1 | 73% | 0.732 | 20% | 0.195 | S | C | * | . | G | 310 helix | trans | 56.2 | -125.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A169 R170 | G167-A169 PolarHBondContact O-N 2.94Å; G167-R170 VanDerWaalsContact O-CB 3.29Å; G167-R170 WeakPolarHBondContact O-CB 3.24Å; G167-R170 PolarHBondContact O-N 3.4Å |
| 168 | A | 95.8 | Very high | 98.3 | Very high | 117 Ų | 117 | 28.5 Ų | 28.5 | 97% | 0.967 | 19% | 0.188 | S | C | * | . | G | 310 helix | trans | -69.7 | -18 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | S166 | S166-A168 PolarHBondContact O-N 2.89Š|
| 169 | A | 96.4 | Very high | 98.3 | Very high | 60 Ų | 60 | 31 Ų | 31 | 50% | 0.496 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -94 | 2.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S166 G167 T171 | S166-A169 PolarHBondContact O-N 2.93Å; G167-A169 PolarHBondContact O-N 2.94Å; A169-T171 PolarHBondContact O-N 3.46Å; A169-T171 VanDerWaalsContact O-N 3.15Å; A169-T171 PolarHBondContact O-OG1 3.05Å |
| 170 | R | 98.1 | Very high | 98.2 | Very high | 41 Ų | 41 | 36 Ų | 36 | 16% | 0.155 | 23% | 0.226 | C | C | . | . | trans | -60.6 | 118.5 | 177 | -173.1 | 68.1 | 171.9 | 170.1 | 4 | 109.4 | W83 N84 Y85 I163 G165 S166 G167 Y172 | W83-R170 PolarHBondContact O-NH2 3.43Å; N84-R170 PolarHBondContact O-NH2 3.15Å; Y85-R170 PolarHBondContact O-NH1 2.91Å; Y85-R170 PolarHBondContact O-NH2 2.89Å; I163-R170 VanDerWaalsContact CG2-NE 3.32Å; G165-R170 WeakPolarHBondContact O-CD 3.38Å; G165-R170 PolarHBondContact O-NH1 2.98Å; S166-R170 PolarHBondContact O-N 2.83Å; G167-R170 VanDerWaalsContact O-CB 3.29Å; G167-R170 WeakPolarHBondContact O-CB 3.24Å; G167-R170 PolarHBondContact O-N 3.4Å; R170-Y172 HydrophobicContact CB-CE2 4.36Å; R170-Y172 HydrophobicContact CG-CD2 4.41Å; R170-Y172 HydrophobicContact CG-CE1 4.48Å; R170-Y172 HydrophobicContact CG-CE2 3.54Å; R170-Y172 WeakPolarHBondContact CG-OH 3.4Å | ||
| 171 | T | 98.4 | Very high | 98.2 | Very high | 39 Ų | 39 | 40.5 Ų | 40.5 | 24% | 0.239 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 136.6 | -174.2 | -60 | 0 | 0 | 0 | 0 | 109.5 | T34 I163 H164 A169 E173 | T34-T171 HydrophobicContact CG2-CG2 4.39Å; I163-T171 WeakPolarHBondContact CA-O 3.44Å; I163-T171 VanDerWaalsContact CG2-O 3.24Å; I163-T171 WeakPolarHBondContact CG2-O 3.17Å; H164-T171 PolarHBondContact N-O 3Å; H164-T171 PolarHBondContact O-N 3.19Å; A169-T171 PolarHBondContact O-N 3.46Å; A169-T171 VanDerWaalsContact O-N 3.15Å; A169-T171 PolarHBondContact O-OG1 3.05Å; T171-E173 HydrophobicContact CG2-CG 3.98Å |
| 172 | Y | 98.8 | Very high | 98.1 | Very high | 75 Ų | 75 | 43.9 Ų | 43.9 | 29% | 0.294 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 121.9 | 178.6 | -58 | -95.5 | 0 | 0 | 0 | 107.8 | T34 W35 I163 R170 P189 F191 | T34-Y172 CarbonylContact C-O 3.51Å; T34-Y172 VanDerWaalsContact CA-O 3.28Å; T34-Y172 WeakPolarHBondContact CA-O 3.12Å; W35-Y172 PolarHBondContact N-O 2.89Å; I163-Y172 HydrophobicContact CD1-CD1 4.14Å; I163-Y172 HydrophobicContact CD1-CE1 4.27Å; I163-Y172 HydrophobicContact CG1-CD1 4.17Å; I163-Y172 HydrophobicContact CG2-CD1 3.59Å; I163-Y172 HydrophobicContact CG2-CE1 3.66Å; I163-Y172 HydrophobicContact CG2-CG 4.25Å; R170-Y172 HydrophobicContact CB-CE2 4.36Å; R170-Y172 HydrophobicContact CG-CD2 4.41Å; R170-Y172 HydrophobicContact CG-CE1 4.48Å; R170-Y172 HydrophobicContact CG-CE2 3.54Å; R170-Y172 WeakPolarHBondContact CG-OH 3.4Å; Y172-P189 HydrophobicContact CD1-CB 3.96Å; Y172-P189 HydrophobicContact CD1-CG 4.02Å; Y172-P189 HydrophobicContact CD2-CB 4.18Å; Y172-P189 HydrophobicContact CD2-CG 3.36Å; Y172-P189 HydrophobicContact CE1-CB 4.48Å; Y172-P189 HydrophobicContact CE1-CG 4.36Å; Y172-P189 HydrophobicContact CE2-CG 3.75Å; Y172-P189 HydrophobicContact CG-CB 3.79Å; Y172-P189 HydrophobicContact CG-CG 3.5Å; Y172-F191 HydrophobicContact CD1-CE2 4.49Å; Y172-F191 AromaticContact CD1-CZ 3.95Å; Y172-F191 HydrophobicContact CD1-CZ 3.95Å; Y172-F191 HydrophobicContact CG-CZ 4.4Å |
| 173 | E | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 153 | -175.3 | -58.4 | 176.4 | -159.2 | 0 | 0 | 111.4 | I31 H33 V40 H42 Y161 A162 H164 T171 | I31-E173 HydrophobicContact CG2-CB 3.42Å; I31-E173 VanDerWaalsContact CG2-CB 3.42Å; I31-E173 HydrophobicContact CG2-CG 4.46Å; I31-E173 WeakPolarHBondContact CG2-OE2 3.44Å; H33-E173 CarbonylContact O-C 3.5Å; H33-E173 VanDerWaalsContact O-CA 3.29Å; H33-E173 WeakPolarHBondContact O-CA 3.34Å; H33-E173 WeakPolarHBondContact O-CB 3.46Å; V40-E173 HydrophobicContact CG1-CG 3.87Å; H42-E173 IonicContact CE1-OE1 2.64Å; H42-E173 PolarHBondContact CE1-OE1 2.88Å; H42-E173 IonicContact CE1-OE2 3.84Å; H42-E173 IonicContact NE2-OE1 3.72Å; H42-E173 PolarHBondContact NE2-OE1 2.94Å; Y161-E173 WeakPolarHBondContact CA-O 3.4Å; Y161-E173 VanDerWaalsContact CB-O 3.27Å; Y161-E173 WeakPolarHBondContact CB-O 3.38Å; Y161-E173 WeakPolarHBondContact CD1-O 3.25Å; A162-E173 HydrophobicContact CB-CB 4.26Å; A162-E173 PolarHBondContact N-O 3.46Å; A162-E173 VanDerWaalsContact N-O 3.14Å; A162-E173 PolarHBondContact O-N 2.68Å; H164-E173 IonicContact CD2-OE1 2.98Å; H164-E173 PolarHBondContact CD2-OE1 2.83Å; H164-E173 IonicContact CE1-OE1 3.53Å; H164-E173 IonicContact NE2-OE1 3.73Å; H164-E173 PolarHBondContact NE2-OE1 2.93Å; T171-E173 HydrophobicContact CG2-CG 3.98Å |
| 174 | A | 98.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.008 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 136.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111 | H33 Y161 Y176 P177 | H33-A174 PolarHBondContact O-N 3.25Å; Y161-A174 HydrophobicContact CD1-CB 3.55Å; Y161-A174 HydrophobicContact CE1-CB 3.68Å; A174-Y176 VanDerWaalsContact C-N 3.33Å; A174-P177 HydrophobicContact CB-CB 4.02Å |
| 175 | L | 98.9 | Very high | 97.8 | Very high | 21 Ų | 21 | 59.4 Ų | 59.4 | 11% | 0.11 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -62.2 | -45.9 | 168.2 | 176.3 | 62.8 | 0 | 0 | 0 | 110.1 | F29 A30 I31 M158 S160 | F29-L175 HydrophobicContact CB-CD1 3.92Å; F29-L175 HydrophobicContact CB-CD2 3.87Å; F29-L175 HydrophobicContact CD1-CD1 4.18Å; F29-L175 HydrophobicContact CD1-CD2 3.6Å; F29-L175 HydrophobicContact CD1-CG 4.46Å; F29-L175 HydrophobicContact CE1-CD2 4.3Å; F29-L175 HydrophobicContact CG-CD1 4.49Å; F29-L175 HydrophobicContact CG-CD2 3.83Å; A30-L175 WeakPolarHBondContact O-CD1 3.44Å; I31-L175 HydrophobicContact CG1-CB 4.11Å; M158-L175 HydrophobicContact CE-CD2 3.95Å; M158-L175 HydrophobicContact SD-CD2 3.95Å; S160-L175 WeakPolarHBondContact O-CB 3.41Å; S160-L175 PolarHBondContact O-N 2.74Å |
| 176 | Y | 98.8 | Very high | 97.6 | Very high | 61 Ų | 61 | 62.3 Ų | 62.3 | 24% | 0.239 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -118.7 | 90.9 | 172.5 | -50.8 | -57.5 | 0 | 0 | 0 | 109.2 | F29 M158 N159 A174 Q198 | F29-Y176 WeakPolarHBondContact CE1-OH 3.19Å; M158-Y176 HydrophobicContact CE-CE2 4.5Å; M158-Y176 WeakPolarHBondContact O-CD2 3.29Å; M158-Y176 HydrophobicContact SD-CE2 4.49Å; N159-Y176 HydrophobicContact CB-CD2 4.28Å; N159-Y176 PolarHBondContact ND2-O 2.91Å; N159-Y176 WeakPolarHBondContact OD1-CB 3.44Å; N159-Y176 WeakPolarHBondContact OD1-CD2 3.45Å; N159-Y176 PolarHBondContact OD1-N 3.1Å; A174-Y176 VanDerWaalsContact C-N 3.33Å; Y176-Q198 HydrophobicContact CD1-CB 4.25Å; Y176-Q198 HydrophobicContact CD1-CG 3.44Å; Y176-Q198 VanDerWaalsContact CD1-CG 3.44Å; Y176-Q198 HydrophobicContact CD2-CB 3.69Å; Y176-Q198 HydrophobicContact CD2-CG 3.49Å; Y176-Q198 VanDerWaalsContact CD2-CG 3.49Å; Y176-Q198 HydrophobicContact CE1-CB 4.09Å; Y176-Q198 HydrophobicContact CE1-CG 3.71Å; Y176-Q198 HydrophobicContact CE2-CB 3.52Å; Y176-Q198 HydrophobicContact CE2-CG 3.77Å; Y176-Q198 HydrophobicContact CG-CB 4.05Å; Y176-Q198 HydrophobicContact CG-CG 3.31Å |
| 177 | P | 98.7 | Very high | 97.6 | Very high | 25 Ų | 25 | 61.6 Ų | 61.6 | 16% | 0.162 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -75 | 168.8 | -177.5 | 32.2 | -37.7 | 0 | 0 | 0 | 112.4 | H33 T34 W35 S37 A174 P179 | H33-P177 HydrophobicContact CB-CB 4.43Å; H33-P177 HydrophobicContact CB-CG 3.94Å; T34-P177 VanDerWaalsContact O-CB 3.25Å; T34-P177 WeakPolarHBondContact O-CB 3.41Å; W35-P177 WeakPolarHBondContact O-CB 3.45Å; S37-P177 WeakPolarHBondContact OG-CB 3.32Å; S37-P177 VanDerWaalsContact OG-CG 3.26Å; S37-P177 WeakPolarHBondContact OG-CG 3.49Å; A174-P177 HydrophobicContact CB-CB 4.02Å; P177-P179 WeakPolarHBondContact O-CD 3.47Å |
| 178 | I | 98.6 | Very high | 97.6 | Very high | 8 Ų | 8 | 64.8 Ų | 64.8 | 4% | 0.041 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 123.3 | 170.7 | -55.2 | -173.5 | 0 | 0 | 0 | 108.2 | W35 S37 K180 D182 I183 Q187 R193 Y196 | W35-I178 HydrophobicContact CE3-CD1 3.97Å; W35-I178 HydrophobicContact CZ3-CD1 4.05Å; W35-I178 PolarHBondContact O-N 3.35Å; S37-I178 PolarHBondContact OG-O 2.72Å; I178-K180 PolarHBondContact O-N 3.05Å; I178-D182 HydrophobicContact CG2-CB 4.05Å; I178-I183 HydrophobicContact CB-CD1 3.7Å; I178-I183 HydrophobicContact CB-CG1 4.44Å; I178-I183 HydrophobicContact CD1-CD1 4.33Å; I178-I183 HydrophobicContact CG2-CD1 3.5Å; I178-I183 VanDerWaalsContact CG2-CD1 3.5Å; I178-I183 HydrophobicContact CG2-CG1 3.98Å; I178-Q187 VanDerWaalsContact CD1-NE2 3.29Å; I178-R193 HydrophobicContact CD1-CG 4.33Å; I178-Y196 HydrophobicContact CB-CD2 4.38Å; I178-Y196 HydrophobicContact CB-CE2 4.05Å; I178-Y196 HydrophobicContact CD1-CD2 4.46Å; I178-Y196 HydrophobicContact CD1-CE2 4.01Å; I178-Y196 HydrophobicContact CG1-CD2 3.74Å; I178-Y196 HydrophobicContact CG1-CE2 3.59Å; I178-Y196 HydrophobicContact CG2-CE1 4.38Å; I178-Y196 HydrophobicContact CG2-CE2 3.79Å |
| 179 | P | 98.1 | Very high | 97.7 | Very high | 54 Ų | 54 | 60.8 Ų | 60.8 | 35% | 0.351 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 140.8 | 178.1 | -25.5 | 35.4 | 0 | 0 | 0 | 111.5 | P177 A181 D182 I183 Y196 | P177-P179 WeakPolarHBondContact O-CD 3.47Å; P179-A181 PolarHBondContact O-N 2.85Å; P179-D182 WeakPolarHBondContact CG-OD2 3.45Å; P179-D182 PolarHBondContact O-N 3.12Å; P179-I183 PolarHBondContact O-N 2.96Å; P179-Y196 VanDerWaalsContact CD-CD1 3.5Å; P179-Y196 HydrophobicContact CG-CD1 4.28Å; P179-Y196 HydrophobicContact CG-CE1 4.12Å |
| 180 | K | 97.2 | Very high | 97.8 | Very high | 104 Ų | 104 | 61.3 Ų | 61.3 | 45% | 0.452 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -52.4 | -32.9 | 179.8 | -78.2 | -62.9 | -171.1 | -168.7 | 0 | 113.8 | D36 N38 I178 D182 | D36-K180 VanDerWaalsContact O-CD 3.24Å; D36-K180 WeakPolarHBondContact O-CD 3.38Å; D36-K180 WeakPolarHBondContact O-CE 3.44Å; D36-K180 PolarHBondContact O-NZ 2.82Å; D36-K180 IonicContact OD2-NZ 3.93Å; D36-K180 PolarHBondContact OD2-NZ 2.93Å; N38-K180 VanDerWaalsContact CG-NZ 3.27Å; N38-K180 PolarHBondContact ND2-NZ 3.14Å; N38-K180 VanDerWaalsContact OD1-CE 3.24Å; N38-K180 WeakPolarHBondContact OD1-CE 3.28Å; N38-K180 PolarHBondContact OD1-NZ 3.43Å; I178-K180 PolarHBondContact O-N 3.05Å; K180-D182 VanDerWaalsContact C-N 3.25Å; K180-D182 PolarHBondContact O-N 2.83Å |
| 181 | A | 97.4 | Very high | 97.8 | Very high | 95 Ų | 95 | 60.3 Ų | 60.3 | 79% | 0.785 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -69.5 | -22.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | P179 | P179-A181 PolarHBondContact O-N 2.85Š|
| 182 | D | 97.8 | Very high | 97.8 | Very high | 79 Ų | 79 | 60.8 Ų | 60.8 | 42% | 0.422 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -99.2 | -4.7 | -176.8 | -56.5 | -24.3 | 0 | 0 | 0 | 112.2 | I178 P179 K180 Y196 | I178-D182 HydrophobicContact CG2-CB 4.05Å; P179-D182 WeakPolarHBondContact CG-OD2 3.45Å; P179-D182 PolarHBondContact O-N 3.12Å; K180-D182 VanDerWaalsContact C-N 3.25Å; K180-D182 PolarHBondContact O-N 2.83Å; D182-Y196 WeakPolarHBondContact CB-OH 3.46Å |
| 183 | I | 97.4 | Very high | 97.7 | Very high | 47 Ų | 47 | 60.2 Ų | 60.2 | 24% | 0.241 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -75.3 | 128.4 | 176.1 | -66.4 | -69.4 | 0 | 0 | 0 | 110 | W35 D36 I178 P179 | W35-I183 HydrophobicContact CE3-CD1 4.25Å; W35-I183 HydrophobicContact CH2-CD1 4.18Å; W35-I183 HydrophobicContact CZ3-CD1 3.61Å; D36-I183 HydrophobicContact CB-CD1 3.77Å; D36-I183 HydrophobicContact CB-CG1 4.24Å; I178-I183 HydrophobicContact CB-CD1 3.7Å; I178-I183 HydrophobicContact CB-CG1 4.44Å; I178-I183 HydrophobicContact CD1-CD1 4.33Å; I178-I183 HydrophobicContact CG2-CD1 3.5Å; I178-I183 VanDerWaalsContact CG2-CD1 3.5Å; I178-I183 HydrophobicContact CG2-CG1 3.98Å; P179-I183 PolarHBondContact O-N 2.96Å |
| 184 | V | 96.6 | Very high | 97.7 | Very high | 95 Ų | 95 | 60.8 Ų | 60.8 | 58% | 0.576 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -103 | 151.5 | 172.5 | -58.4 | 0 | 0 | 0 | 0 | 111.3 | G186 Q187 | V184-G186 PolarHBondContact O-N 3.03Å; V184-Q187 HydrophobicContact CG2-CB 3.83Å; V184-Q187 HydrophobicContact CG2-CG 4.35Å; V184-Q187 VanDerWaalsContact N-OE1 3.07Å; V184-Q187 WeakPolarHBondContact O-CB 3.34Å; V184-Q187 PolarHBondContact O-N 2.7Å; V184-Q187 VanDerWaalsContact O-N 3.12Å |
| 185 | E | 95.7 | Very high | 97.7 | Very high | 205 Ų | 205 | 66.1 Ų | 66.1 | 96% | 0.958 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 133.1 | 179.5 | -173 | 176.9 | -178.1 | 0 | 0 | 111.4 | Q187 | E185-Q187 PolarHBondContact O-N 3.45Š|
| 186 | G | 95.1 | Very high | 97.7 | Very high | 65 Ų | 65 | 66.3 Ų | 66.3 | 67% | 0.67 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.6 | 0.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | V184 Q188 | V184-G186 PolarHBondContact O-N 3.03Å; G186-Q188 PolarHBondContact O-NE2 2.84Å; G186-Q188 VanDerWaalsContact O-NE2 3.1Å |
| 187 | Q | 97.2 | Very high | 97.7 | Very high | 31 Ų | 31 | 63.4 Ų | 63.4 | 15% | 0.145 | 35% | 0.347 | C | S | . | . | trans | -57.2 | 141.6 | 176.5 | -172.1 | 173 | -7.6 | 0 | 0 | 111.3 | W35 I178 V184 E185 | W35-Q187 HydrophobicContact CH2-CB 4.09Å; W35-Q187 HydrophobicContact CH2-CG 4.01Å; W35-Q187 WeakPolarHBondContact CH2-O 3.43Å; W35-Q187 HydrophobicContact CZ3-CB 4.48Å; W35-Q187 HydrophobicContact CZ3-CG 3.95Å; I178-Q187 VanDerWaalsContact CD1-NE2 3.29Å; V184-Q187 HydrophobicContact CG2-CB 3.83Å; V184-Q187 HydrophobicContact CG2-CG 4.35Å; V184-Q187 VanDerWaalsContact N-OE1 3.07Å; V184-Q187 WeakPolarHBondContact O-CB 3.34Å; V184-Q187 PolarHBondContact O-N 2.7Å; V184-Q187 VanDerWaalsContact O-N 3.12Å; E185-Q187 PolarHBondContact O-N 3.45Å | ||
| 188 | Q | 97 | Very high | 97.7 | Very high | 138 Ų | 138 | 66.5 Ų | 66.5 | 65% | 0.645 | 36% | 0.359 | S | S | * | . | trans | -106.3 | 158.3 | 175.8 | -61.1 | -55.7 | -54.7 | 0 | 0 | 110.4 | G186 N190 | G186-Q188 PolarHBondContact O-NE2 2.84Å; G186-Q188 VanDerWaalsContact O-NE2 3.1Å; Q188-N190 PolarHBondContact O-N 3.09Å | ||
| 189 | P | 97.4 | Very high | 97.7 | Very high | 33 Ų | 33 | 72.3 Ų | 72.3 | 21% | 0.214 | 39% | 0.39 | C | S | . | . | trans | -53.1 | 135.9 | 172.1 | -15.5 | 20.3 | 0 | 0 | 0 | 111.6 | W35 Y172 F191 | W35-P189 HydrophobicContact CB-CB 4.44Å; W35-P189 HydrophobicContact CD2-CB 3.95Å; W35-P189 HydrophobicContact CD2-CG 3.97Å; W35-P189 HydrophobicContact CG-CB 3.91Å; W35-P189 HydrophobicContact CG-CG 4.01Å; W35-P189 HydrophobicContact CZ2-CG 4.31Å; Y172-P189 HydrophobicContact CD1-CB 3.96Å; Y172-P189 HydrophobicContact CD1-CG 4.02Å; Y172-P189 HydrophobicContact CD2-CB 4.18Å; Y172-P189 HydrophobicContact CD2-CG 3.36Å; Y172-P189 HydrophobicContact CE1-CB 4.48Å; Y172-P189 HydrophobicContact CE1-CG 4.36Å; Y172-P189 HydrophobicContact CE2-CG 3.75Å; Y172-P189 HydrophobicContact CG-CB 3.79Å; Y172-P189 HydrophobicContact CG-CG 3.5Å; P189-F191 HydrophobicContact CB-CE1 4.38Å | ||
| 190 | N | 97.8 | Very high | 97.6 | Very high | 71 Ų | 71 | 69.9 Ų | 69.9 | 38% | 0.38 | 37% | 0.374 | S | S | . | . | trans | -147.6 | 108.2 | 171.3 | 178.6 | -4.6 | 0 | 0 | 0 | 108.7 | Q188 H192 R193 | Q188-N190 PolarHBondContact O-N 3.09Å; N190-H192 VanDerWaalsContact C-N 3.28Å; N190-H192 PolarHBondContact O-N 3.5Å; N190-H192 PolarHBondContact OD1-N 3.44Å; N190-R193 HydrophobicContact CB-CG 4Å; N190-R193 WeakPolarHBondContact O-CG 3.27Å | ||
| 191 | F | 98.4 | Very high | 97.6 | Very high | 20 Ų | 20 | 70 Ų | 70 | 9% | 0.088 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -8.3 | -176.2 | -64.3 | -13.2 | 0 | 0 | 0 | 113.7 | W35 E89 F91 Y161 I163 Y172 P189 R193 F197 | W35-F191 HydrophobicContact CB-CE1 4.16Å; E89-F191 VanDerWaalsContact OE2-CD2 3.32Å; E89-F191 WeakPolarHBondContact OE2-CD2 3.36Å; F91-F191 HydrophobicContact CE2-CB 4.42Å; F91-F191 HydrophobicContact CZ-CB 4.27Å; Y161-F191 HydrophobicContact CD1-CB 4.3Å; Y161-F191 AromaticContact CD1-CD1 3.43Å; Y161-F191 HydrophobicContact CD1-CD1 3.43Å; Y161-F191 VanDerWaalsContact CD1-CD1 3.43Å; Y161-F191 HydrophobicContact CD1-CD2 4.03Å; Y161-F191 AromaticContact CD1-CE1 3.58Å; Y161-F191 HydrophobicContact CD1-CE1 3.58Å; Y161-F191 HydrophobicContact CD1-CE2 4.13Å; Y161-F191 AromaticContact CD1-CG 3.67Å; Y161-F191 HydrophobicContact CD1-CG 3.67Å; Y161-F191 AromaticContact CD1-CZ 3.92Å; Y161-F191 HydrophobicContact CD1-CZ 3.92Å; Y161-F191 HydrophobicContact CD2-CB 3.88Å; Y161-F191 HydrophobicContact CD2-CD1 4.46Å; Y161-F191 AromaticContact CD2-CD2 3.88Å; Y161-F191 HydrophobicContact CD2-CD2 3.88Å; Y161-F191 HydrophobicContact CD2-CE2 4.47Å; Y161-F191 AromaticContact CD2-CG 3.85Å; Y161-F191 HydrophobicContact CD2-CG 3.85Å; Y161-F191 HydrophobicContact CE1-CB 4.12Å; Y161-F191 AromaticContact CE1-CD1 3.61Å; Y161-F191 HydrophobicContact CE1-CD1 3.61Å; Y161-F191 HydrophobicContact CE1-CE1 4.15Å; Y161-F191 AromaticContact CE1-CG 3.9Å; Y161-F191 HydrophobicContact CE1-CG 3.9Å; Y161-F191 HydrophobicContact CE2-CB 3.65Å; Y161-F191 HydrophobicContact CE2-CG 4.05Å; Y161-F191 HydrophobicContact CG-CB 4.18Å; Y161-F191 AromaticContact CG-CD1 3.89Å; Y161-F191 HydrophobicContact CG-CD1 3.89Å; Y161-F191 AromaticContact CG-CD2 3.59Å; Y161-F191 HydrophobicContact CG-CD2 3.59Å; Y161-F191 HydrophobicContact CG-CE1 4.09Å; Y161-F191 AromaticContact CG-CE2 3.76Å; Y161-F191 HydrophobicContact CG-CE2 3.76Å; Y161-F191 AromaticContact CG-CG 3.63Å; Y161-F191 HydrophobicContact CG-CG 3.63Å; Y161-F191 HydrophobicContact CG-CZ 4.01Å; Y161-F191 PolarHBondContact OH-O 2.84Å; I163-F191 HydrophobicContact CD1-CD2 4.43Å; I163-F191 HydrophobicContact CD1-CE2 3.64Å; I163-F191 HydrophobicContact CD1-CZ 4.4Å; I163-F191 HydrophobicContact CG1-CE2 3.62Å; I163-F191 HydrophobicContact CG1-CZ 4.11Å; Y172-F191 HydrophobicContact CD1-CE2 4.49Å; Y172-F191 AromaticContact CD1-CZ 3.95Å; Y172-F191 HydrophobicContact CD1-CZ 3.95Å; Y172-F191 HydrophobicContact CG-CZ 4.4Å; P189-F191 HydrophobicContact CB-CE1 4.38Å; F191-R193 VanDerWaalsContact C-N 3.28Å; F191-R193 PolarHBondContact O-N 2.98Å; F191-F197 WeakPolarHBondContact O-CE1 3.21Å |
| 192 | H | 98.3 | Very high | 97.5 | Very high | 48 Ų | 48 | 65.5 Ų | 65.5 | 22% | 0.222 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 18.2 | 173.2 | -52.9 | -67.3 | 0 | 0 | 0 | 113.5 | F91 Y100 E102 V119 N190 L194 | F91-H192 AromaticContact CE1-CE1 3.78Å; F91-H192 AromaticContact CE1-ND1 3.64Å; Y100-H192 AromaticContact CE2-ND1 3.68Å; Y100-H192 AromaticContact CZ-ND1 3.82Å; Y100-H192 PolarHBondContact OH-ND1 2.82Å; Y100-H192 VanDerWaalsContact OH-ND1 3.13Å; E102-H192 IonicContact OE1-CE1 2.8Å; E102-H192 IonicContact OE2-CE1 3.78Å; E102-H192 PolarHBondContact OE2-CE1 2.79Å; V119-H192 HydrophobicContact CG1-CB 3.98Å; N190-H192 VanDerWaalsContact C-N 3.28Å; N190-H192 PolarHBondContact O-N 3.5Å; N190-H192 PolarHBondContact OD1-N 3.44Å; H192-L194 PolarHBondContact O-N 2.78Å |
| 193 | R | 98.1 | Very high | 97.3 | Very high | 64 Ų | 64 | 64.1 Ų | 64.1 | 24% | 0.242 | 33% | 0.325 | C | S | . | . | trans | -76.6 | 74.1 | 169.8 | -62.8 | -68.3 | -64.2 | -93.1 | -2.4 | 109.9 | I178 N190 F191 E195 Y196 | I178-R193 HydrophobicContact CD1-CG 4.33Å; N190-R193 HydrophobicContact CB-CG 4Å; N190-R193 WeakPolarHBondContact O-CG 3.27Å; F191-R193 VanDerWaalsContact C-N 3.28Å; F191-R193 PolarHBondContact O-N 2.98Å; R193-E195 VanDerWaalsContact CA-OE2 3.32Å; R193-E195 WeakPolarHBondContact CA-OE2 3.48Å; R193-E195 IonicContact CZ-OE1 3.19Å; R193-E195 IonicContact NE-OE1 2.7Å; R193-E195 PolarHBondContact NE-OE1 3.1Å; R193-E195 IonicContact NE-OE2 2.99Å; R193-E195 IonicContact NH2-OE1 2.68Å; R193-E195 PolarHBondContact NH2-OE1 2.89Å; R193-E195 PolarHBondContact O-N 2.77Å; R193-Y196 HydrophobicContact CB-CD2 3.56Å; R193-Y196 HydrophobicContact CB-CE2 3.81Å; R193-Y196 HydrophobicContact CG-CE2 4.37Å; R193-Y196 PolarHBondContact NH2-OH 2.8Å; R193-Y196 PolarHBondContact O-N 2.88Å; R193-Y196 VanDerWaalsContact O-N 3.11Å | ||
| 194 | L | 98.6 | Very high | 97.2 | Very high | 12 Ų | 12 | 64.6 Ų | 64.6 | 6% | 0.063 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -56.8 | -24.5 | -172 | -55.9 | -174.2 | 0 | 0 | 0 | 113.4 | L93 Q98 Y100 V119 H192 Y196 F197 | L93-L194 HydrophobicContact CD1-CD1 4.01Å; L93-L194 HydrophobicContact CD2-CB 3.92Å; L93-L194 HydrophobicContact CD2-CD1 4.41Å; L93-L194 HydrophobicContact CD2-CD2 4.33Å; L93-L194 HydrophobicContact CD2-CG 4.44Å; Q98-L194 HydrophobicContact CB-CD1 4.28Å; Q98-L194 HydrophobicContact CG-CD1 4.46Å; Y100-L194 HydrophobicContact CD1-CD1 4.12Å; Y100-L194 HydrophobicContact CD1-CD2 4.18Å; Y100-L194 HydrophobicContact CE1-CD1 3.96Å; Y100-L194 HydrophobicContact CE1-CD2 4.07Å; Y100-L194 HydrophobicContact CG-CD2 4.49Å; V119-L194 HydrophobicContact CG2-CD1 3.82Å; V119-L194 HydrophobicContact CG2-CG 4.2Å; H192-L194 PolarHBondContact O-N 2.78Å; L194-Y196 PolarHBondContact O-N 2.85Å; L194-F197 HydrophobicContact CD2-CD2 4.44Å; L194-F197 HydrophobicContact CD2-CE1 4.05Å; L194-F197 HydrophobicContact CD2-CE2 3.76Å; L194-F197 HydrophobicContact CD2-CZ 3.56Å; L194-F197 WeakPolarHBondContact O-CB 3.25Å; L194-F197 PolarHBondContact O-N 2.96Å |
| 195 | E | 98.3 | Very high | 97.2 | Very high | 112 Ų | 112 | 60.4 Ų | 60.4 | 52% | 0.523 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -62.4 | -23.2 | 178.3 | 66.6 | -92 | -143.6 | 0 | 0 | 113.8 | R193 | R193-E195 VanDerWaalsContact CA-OE2 3.32Å; R193-E195 WeakPolarHBondContact CA-OE2 3.48Å; R193-E195 IonicContact CZ-OE1 3.19Å; R193-E195 IonicContact NE-OE1 2.7Å; R193-E195 PolarHBondContact NE-OE1 3.1Å; R193-E195 IonicContact NE-OE2 2.99Å; R193-E195 IonicContact NH2-OE1 2.68Å; R193-E195 PolarHBondContact NH2-OE1 2.89Å; R193-E195 PolarHBondContact O-N 2.77Å |
| 196 | Y | 98.6 | Very high | 97.1 | Very high | 26 Ų | 26 | 52.2 Ų | 52.2 | 10% | 0.102 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -90.9 | -6.7 | 179.3 | -56.7 | -57.6 | 0 | 0 | 0 | 113.7 | I178 P179 D182 R193 L194 Q198 | I178-Y196 HydrophobicContact CB-CD2 4.38Å; I178-Y196 HydrophobicContact CB-CE2 4.05Å; I178-Y196 HydrophobicContact CD1-CD2 4.46Å; I178-Y196 HydrophobicContact CD1-CE2 4.01Å; I178-Y196 HydrophobicContact CG1-CD2 3.74Å; I178-Y196 HydrophobicContact CG1-CE2 3.59Å; I178-Y196 HydrophobicContact CG2-CE1 4.38Å; I178-Y196 HydrophobicContact CG2-CE2 3.79Å; P179-Y196 VanDerWaalsContact CD-CD1 3.5Å; P179-Y196 HydrophobicContact CG-CD1 4.28Å; P179-Y196 HydrophobicContact CG-CE1 4.12Å; D182-Y196 WeakPolarHBondContact CB-OH 3.46Å; R193-Y196 HydrophobicContact CB-CD2 3.56Å; R193-Y196 HydrophobicContact CB-CE2 3.81Å; R193-Y196 HydrophobicContact CG-CE2 4.37Å; R193-Y196 PolarHBondContact NH2-OH 2.8Å; R193-Y196 PolarHBondContact O-N 2.88Å; R193-Y196 VanDerWaalsContact O-N 3.11Å; L194-Y196 PolarHBondContact O-N 2.85Å; Y196-Q198 PolarHBondContact O-N 2.83Å; Y196-Q198 PolarHBondContact O-NE2 3.31Å; Y196-Q198 VanDerWaalsContact O-NE2 3.12Å |
| 197 | F | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -67.4 | 133.8 | 178.3 | -69.1 | 26.4 | 0 | 0 | 0 | 109.4 | F91 L93 K157 N159 Y161 F191 L194 | F91-F197 HydrophobicContact CB-CD2 4.36Å; F91-F197 HydrophobicContact CB-CE2 3.37Å; F91-F197 HydrophobicContact CB-CZ 3.67Å; F91-F197 HydrophobicContact CD1-CE2 4.3Å; F91-F197 AromaticContact CD1-CZ 3.99Å; F91-F197 HydrophobicContact CD1-CZ 3.99Å; F91-F197 HydrophobicContact CG-CE2 4.08Å; F91-F197 AromaticContact CG-CZ 3.87Å; F91-F197 HydrophobicContact CG-CZ 3.87Å; L93-F197 HydrophobicContact CB-CD2 3.8Å; L93-F197 HydrophobicContact CB-CE2 4.14Å; L93-F197 HydrophobicContact CD2-CB 4.34Å; L93-F197 HydrophobicContact CD2-CD2 3.78Å; L93-F197 HydrophobicContact CD2-CE2 4.37Å; L93-F197 HydrophobicContact CD2-CG 4.29Å; L93-F197 HydrophobicContact CG-CD2 4.44Å; K157-F197 HydrophobicContact CB-CB 3.9Å; K157-F197 HydrophobicContact CD-CB 4.21Å; K157-F197 WeakPolarHBondContact CD-O 3.38Å; K157-F197 PolarHBondContact NZ-O 3.15Å; N159-F197 HydrophobicContact CB-CB 4.46Å; N159-F197 HydrophobicContact CB-CD1 3.63Å; N159-F197 HydrophobicContact CB-CD2 4.29Å; N159-F197 HydrophobicContact CB-CE1 3.89Å; N159-F197 HydrophobicContact CB-CG 3.85Å; N159-F197 HydrophobicContact CB-CZ 4.31Å; Y161-F197 WeakPolarHBondContact OH-CE1 3.45Å; F191-F197 WeakPolarHBondContact O-CE1 3.21Å; L194-F197 HydrophobicContact CD2-CD2 4.44Å; L194-F197 HydrophobicContact CD2-CE1 4.05Å; L194-F197 HydrophobicContact CD2-CE2 3.76Å; L194-F197 HydrophobicContact CD2-CZ 3.56Å; L194-F197 WeakPolarHBondContact O-CB 3.25Å; L194-F197 PolarHBondContact O-N 2.96Å |
| 198 | Q | 98.8 | Very high | 96.8 | Very high | 89 Ų | 89 | 53.2 Ų | 53.2 | 42% | 0.416 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 162 | -175.9 | -61.9 | -59.2 | -40.7 | 0 | 0 | 111.6 | K157 M158 Y176 Y196 F200 | K157-Q198 CarbonylContact C-O 3.57Å; K157-Q198 WeakPolarHBondContact CA-O 3.35Å; M158-Q198 PolarHBondContact N-O 2.72Å; M158-Q198 PolarHBondContact O-N 3.48Å; Y176-Q198 HydrophobicContact CD1-CB 4.25Å; Y176-Q198 HydrophobicContact CD1-CG 3.44Å; Y176-Q198 VanDerWaalsContact CD1-CG 3.44Å; Y176-Q198 HydrophobicContact CD2-CB 3.69Å; Y176-Q198 HydrophobicContact CD2-CG 3.49Å; Y176-Q198 VanDerWaalsContact CD2-CG 3.49Å; Y176-Q198 HydrophobicContact CE1-CB 4.09Å; Y176-Q198 HydrophobicContact CE1-CG 3.71Å; Y176-Q198 HydrophobicContact CE2-CB 3.52Å; Y176-Q198 HydrophobicContact CE2-CG 3.77Å; Y176-Q198 HydrophobicContact CG-CB 4.05Å; Y176-Q198 HydrophobicContact CG-CG 3.31Å; Y196-Q198 PolarHBondContact O-N 2.83Å; Y196-Q198 PolarHBondContact O-NE2 3.31Å; Y196-Q198 VanDerWaalsContact O-NE2 3.12Å; Q198-F200 PolarHBondContact O-N 2.94Å |
| 199 | N | 98.4 | Very high | 96.6 | Very high | 130 Ų | 130 | 54.4 Ų | 54.4 | 70% | 0.695 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 131.4 | -177.8 | -65.3 | -11.5 | 0 | 0 | 0 | 110.9 | D156 K157 | D156-N199 WeakPolarHBondContact O-CA 3.29Å; K157-N199 PolarHBondContact NZ-OD1 3.39Å |
| 200 | F | 97.8 | Very high | 96.4 | Very high | 3 Ų | 3 | 55.2 Ų | 55.2 | 1% | 0.013 | 26% | 0.263 | C | S | . | . | trans | -138.6 | 132.2 | -180 | -177.1 | -101.9 | 0 | 0 | 0 | 108.9 | M27 F29 F49 F92 V155 D156 M158 Q198 L202 I205 | M27-F200 HydrophobicContact CE-CD2 4.41Å; M27-F200 HydrophobicContact CE-CE2 4.33Å; M27-F200 HydrophobicContact SD-CD2 4.42Å; M27-F200 HydrophobicContact SD-CE2 3.86Å; F29-F200 HydrophobicContact CE2-CE2 4.45Å; F29-F200 HydrophobicContact CZ-CD2 4.49Å; F29-F200 HydrophobicContact CZ-CE2 4.44Å; F49-F200 HydrophobicContact CD2-CE2 4.11Å; F49-F200 HydrophobicContact CD2-CZ 4.26Å; F92-F200 HydrophobicContact CD1-CD1 4.18Å; F92-F200 AromaticContact CD1-CE1 3.81Å; F92-F200 HydrophobicContact CD1-CE1 3.81Å; F92-F200 HydrophobicContact CD1-CZ 4.42Å; F92-F200 HydrophobicContact CE1-CD1 4.49Å; F92-F200 AromaticContact CE1-CE1 3.8Å; F92-F200 HydrophobicContact CE1-CE1 3.8Å; F92-F200 AromaticContact CE1-CZ 3.96Å; F92-F200 HydrophobicContact CE1-CZ 3.96Å; V155-F200 HydrophobicContact CG1-CD1 3.86Å; V155-F200 HydrophobicContact CG1-CE1 4.44Å; D156-F200 CarbonylContact C-O 3.52Å; D156-F200 VanDerWaalsContact C-O 3.3Å; D156-F200 WeakPolarHBondContact CA-O 3.41Å; D156-F200 PolarHBondContact O-N 2.8Å; M158-F200 HydrophobicContact CB-CB 3.5Å; M158-F200 VanDerWaalsContact CB-CB 3.5Å; M158-F200 HydrophobicContact CB-CD1 4.1Å; M158-F200 HydrophobicContact CB-CD2 3.9Å; M158-F200 HydrophobicContact CB-CG 3.56Å; M158-F200 HydrophobicContact CE-CD2 3.8Å; M158-F200 HydrophobicContact CE-CE2 4.08Å; M158-F200 HydrophobicContact CG-CD2 4.3Å; M158-F200 HydrophobicContact CG-CG 4.35Å; Q198-F200 PolarHBondContact O-N 2.94Å; F200-L202 HydrophobicContact CE1-CD2 3.65Å; F200-L202 HydrophobicContact CE1-CG 4.03Å; F200-L202 HydrophobicContact CZ-CD2 4.22Å; F200-I205 HydrophobicContact CZ-CD1 4.28Å | ||
| 201 | R | 95.5 | Very high | 96.1 | Very high | 107 Ų | 107 | 58.6 Ų | 58.6 | 40% | 0.404 | 28% | 0.279 | S | S | . | . | trans | -128 | 115.8 | -178.6 | -64.1 | 177.9 | 70.8 | -129.4 | 6.2 | 108.6 | Q203 N204 E208 | R201-Q203 PolarHBondContact O-N 2.84Å; R201-N204 PolarHBondContact NH1-OD1 3.36Å; R201-N204 VanDerWaalsContact NH1-OD1 3.09Å; R201-N204 VanDerWaalsContact O-CB 3.3Å; R201-N204 WeakPolarHBondContact O-CB 3.48Å; R201-N204 PolarHBondContact O-N 2.64Å; R201-E208 IonicContact CZ-OE1 2.72Å; R201-E208 IonicContact CZ-OE2 3.82Å; R201-E208 IonicContact NH1-OE1 3.09Å; R201-E208 PolarHBondContact NH1-OE1 3.34Å; R201-E208 IonicContact NH1-OE2 2.84Å; R201-E208 IonicContact NH2-OE1 3.35Å; R201-E208 PolarHBondContact NH2-OE1 3.47Å; R201-E208 IonicContact NH2-OE2 3.45Å; R201-E208 PolarHBondContact NH2-OE2 2.76Å | ||
| 202 | L | 95.7 | Very high | 95.7 | Very high | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -29.3 | 175.1 | -72.1 | 168.4 | 0 | 0 | 0 | 111.7 | L56 W148 V155 F200 N204 I205 M206 W210 Q212 | L56-L202 HydrophobicContact CD1-CD2 4.01Å; L56-L202 HydrophobicContact CD2-CD2 4.16Å; W148-L202 HydrophobicContact CH2-CD2 4.44Å; W148-L202 HydrophobicContact CZ3-CD1 4.17Å; W148-L202 HydrophobicContact CZ3-CD2 4.09Å; V155-L202 HydrophobicContact CB-CD1 4.2Å; V155-L202 HydrophobicContact CG2-CD1 4.45Å; F200-L202 HydrophobicContact CE1-CD2 3.65Å; F200-L202 HydrophobicContact CE1-CG 4.03Å; F200-L202 HydrophobicContact CZ-CD2 4.22Å; L202-N204 PolarHBondContact O-N 3.32Å; L202-I205 WeakPolarHBondContact O-CB 3.43Å; L202-I205 PolarHBondContact O-N 2.92Å; L202-M206 WeakPolarHBondContact O-CG 3.43Å; L202-M206 PolarHBondContact O-N 3.36Å; L202-W210 HydrophobicContact CB-CE3 4.31Å; L202-W210 HydrophobicContact CB-CH2 4.23Å; L202-W210 HydrophobicContact CB-CZ3 3.58Å; L202-W210 HydrophobicContact CD1-CH2 4.02Å; L202-W210 HydrophobicContact CD1-CZ3 3.96Å; L202-W210 HydrophobicContact CG-CZ3 4.4Å; L202-Q212 HydrophobicContact CD1-CG 4.46Å; L202-Q212 VanDerWaalsContact CD1-OE1 3.32Å |
| 203 | Q | 94.8 | Very high | 95.3 | Very high | 50 Ų | 50 | 59 Ų | 59 | 23% | 0.234 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.8 | -26.4 | 175.2 | -68.2 | 78 | 9.7 | 0 | 0 | 113.1 | R201 I205 M206 G207 W210 | R201-Q203 PolarHBondContact O-N 2.84Å; Q203-I205 PolarHBondContact O-N 3.12Å; Q203-M206 PolarHBondContact O-N 3.27Å; Q203-G207 WeakPolarHBondContact CB-O 2.94Å; Q203-G207 CarbonylContact O-C 3.54Å; Q203-G207 VanDerWaalsContact O-CA 3.32Å; Q203-G207 WeakPolarHBondContact O-CA 3.41Å; Q203-G207 PolarHBondContact O-N 3Å; Q203-W210 PolarHBondContact NE2-O 3.02Å |
| 204 | N | 94.7 | Very high | 94.8 | Very high | 56 Ų | 56 | 63.8 Ų | 63.8 | 30% | 0.299 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.3 | -24.9 | 174.6 | -65.5 | -8.2 | 0 | 0 | 0 | 111.9 | F24 M27 R201 L202 | F24-N204 WeakPolarHBondContact CB-O 3.11Å; M27-N204 HydrophobicContact SD-CB 3.87Å; R201-N204 PolarHBondContact NH1-OD1 3.36Å; R201-N204 VanDerWaalsContact NH1-OD1 3.09Å; R201-N204 VanDerWaalsContact O-CB 3.3Å; R201-N204 WeakPolarHBondContact O-CB 3.48Å; R201-N204 PolarHBondContact O-N 2.64Å; L202-N204 PolarHBondContact O-N 3.32Å |
| 205 | I | 95.5 | Very high | 94.5 | Very high | 7 Ų | 7 | 63.6 Ų | 63.6 | 4% | 0.036 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -97.5 | -45.8 | 177.3 | -61.1 | 166.2 | 0 | 0 | 0 | 110.9 | F24 M27 F49 D51 L56 F200 L202 Q203 | F24-I205 WeakPolarHBondContact O-CA 3.36Å; M27-I205 HydrophobicContact CB-CD1 4.4Å; M27-I205 HydrophobicContact CB-CG1 4.42Å; M27-I205 HydrophobicContact CG-CD1 4.08Å; M27-I205 HydrophobicContact CG-CG1 3.7Å; M27-I205 HydrophobicContact SD-CD1 3.98Å; M27-I205 HydrophobicContact SD-CG1 3.85Å; F49-I205 HydrophobicContact CB-CD1 3.52Å; D51-I205 HydrophobicContact CB-CG2 4.41Å; L56-I205 HydrophobicContact CD1-CD1 3.79Å; F200-I205 HydrophobicContact CZ-CD1 4.28Å; L202-I205 WeakPolarHBondContact O-CB 3.43Å; L202-I205 PolarHBondContact O-N 2.92Å; Q203-I205 PolarHBondContact O-N 3.12Å |
| 206 | M | 94.6 | Very high | 94.3 | Very high | 34 Ų | 34 | 63.5 Ų | 63.5 | 17% | 0.167 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -90 | -16.5 | -167.8 | -55.4 | -55.7 | -64.9 | 0 | 0 | 114.1 | D51 W148 L202 Q203 W210 | D51-M206 HydrophobicContact CB-CE 4.27Å; D51-M206 HydrophobicContact CB-SD 3.86Å; D51-M206 WeakPolarHBondContact OD1-CE 3.17Å; W148-M206 HydrophobicContact CH2-CE 4.21Å; W148-M206 HydrophobicContact CH2-CG 4.14Å; W148-M206 HydrophobicContact CH2-SD 3.82Å; W148-M206 HydrophobicContact CZ2-CE 3.56Å; W148-M206 HydrophobicContact CZ2-CG 4.41Å; W148-M206 HydrophobicContact CZ2-SD 3.72Å; L202-M206 WeakPolarHBondContact O-CG 3.43Å; L202-M206 PolarHBondContact O-N 3.36Å; Q203-M206 PolarHBondContact O-N 3.27Å; M206-W210 HydrophobicContact CB-CB 3.57Å; M206-W210 HydrophobicContact CB-CD2 3.43Å; M206-W210 VanDerWaalsContact CB-CD2 3.43Å; M206-W210 HydrophobicContact CB-CE3 3.83Å; M206-W210 HydrophobicContact CB-CG 3.32Å; M206-W210 HydrophobicContact CE-CZ2 4.29Å; M206-W210 HydrophobicContact CG-CD2 3.7Å; M206-W210 HydrophobicContact CG-CE3 3.92Å; M206-W210 HydrophobicContact CG-CG 4.1Å; M206-W210 HydrophobicContact CG-CH2 4.28Å; M206-W210 HydrophobicContact CG-CZ2 4.11Å; M206-W210 HydrophobicContact CG-CZ3 4.22Å |
| 207 | G | 93.6 | Very high | 94.2 | Very high | 4 Ų | 4 | 64.8 Ų | 64.8 | 4% | 0.041 | 32% | 0.322 | C | S | . | . | trans | 101.3 | 151.9 | -171 | 0 | 0 | 0 | 0 | 0 | 113.2 | H23 Q203 D209 W210 | H23-G207 VanDerWaalsContact CD2-CA 3.48Å; H23-G207 WeakPolarHBondContact CD2-CA 3.29Å; Q203-G207 WeakPolarHBondContact CB-O 2.94Å; Q203-G207 CarbonylContact O-C 3.54Å; Q203-G207 VanDerWaalsContact O-CA 3.32Å; Q203-G207 WeakPolarHBondContact O-CA 3.41Å; Q203-G207 PolarHBondContact O-N 3Å; G207-D209 VanDerWaalsContact C-N 3.29Å; G207-D209 PolarHBondContact O-N 3.24Å; G207-W210 VanDerWaalsContact O-CB 3.23Å; G207-W210 WeakPolarHBondContact O-CB 3.36Å; G207-W210 PolarHBondContact O-N 3.24Å | ||
| 208 | E | 92.6 | Very high | 94.1 | Very high | 112 Ų | 112 | 65.3 Ų | 65.3 | 52% | 0.523 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -30.4 | -173.6 | -68.9 | -65.5 | 150.9 | 0 | 0 | 113.1 | R201 W210 | R201-E208 IonicContact CZ-OE1 2.72Å; R201-E208 IonicContact CZ-OE2 3.82Å; R201-E208 IonicContact NH1-OE1 3.09Å; R201-E208 PolarHBondContact NH1-OE1 3.34Å; R201-E208 IonicContact NH1-OE2 2.84Å; R201-E208 IonicContact NH2-OE1 3.35Å; R201-E208 PolarHBondContact NH2-OE1 3.47Å; R201-E208 IonicContact NH2-OE2 3.45Å; R201-E208 PolarHBondContact NH2-OE2 2.76Å; E208-W210 PolarHBondContact O-N 2.78Å |
| 209 | D | 93.5 | Very high | 93.8 | Very high | 163 Ų | 163 | 67.8 Ų | 67.8 | 87% | 0.872 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -3.5 | 176.3 | -62.1 | -38.5 | 0 | 0 | 0 | 113 | G207 | G207-D209 VanDerWaalsContact C-N 3.29Å; G207-D209 PolarHBondContact O-N 3.24Å |
| 210 | W | 93.3 | Very high | 93.3 | Very high | 50 Ų | 50 | 65.7 Ų | 65.7 | 19% | 0.189 | 34% | 0.343 | C | S | . | . | trans | -76.1 | 129.2 | -179.7 | -177.2 | 87.8 | 0 | 0 | 0 | 111.4 | W148 L202 Q203 M206 G207 E208 Q212 | W148-W210 HydrophobicContact CD2-CH2 4.34Å; W148-W210 AromaticContact CD2-CZ2 3.95Å; W148-W210 HydrophobicContact CD2-CZ2 3.95Å; W148-W210 AromaticContact CE2-CZ2 3.81Å; W148-W210 AromaticContact CE3-CH2 3.87Å; W148-W210 HydrophobicContact CE3-CH2 3.87Å; W148-W210 AromaticContact CE3-CZ2 3.96Å; W148-W210 HydrophobicContact CE3-CZ2 3.96Å; W148-W210 AromaticContact CH2-CH2 3.84Å; W148-W210 HydrophobicContact CH2-CH2 3.84Å; W148-W210 AromaticContact CH2-CZ2 3.78Å; W148-W210 HydrophobicContact CH2-CZ2 3.78Å; W148-W210 HydrophobicContact CZ2-CH2 4.3Å; W148-W210 AromaticContact CZ2-CZ2 3.75Å; W148-W210 HydrophobicContact CZ2-CZ2 3.75Å; W148-W210 AromaticContact CZ3-CH2 3.61Å; W148-W210 HydrophobicContact CZ3-CH2 3.61Å; W148-W210 AromaticContact CZ3-CZ2 3.88Å; W148-W210 HydrophobicContact CZ3-CZ2 3.88Å; L202-W210 HydrophobicContact CB-CE3 4.31Å; L202-W210 HydrophobicContact CB-CH2 4.23Å; L202-W210 HydrophobicContact CB-CZ3 3.58Å; L202-W210 HydrophobicContact CD1-CH2 4.02Å; L202-W210 HydrophobicContact CD1-CZ3 3.96Å; L202-W210 HydrophobicContact CG-CZ3 4.4Å; Q203-W210 PolarHBondContact NE2-O 3.02Å; M206-W210 HydrophobicContact CB-CB 3.57Å; M206-W210 HydrophobicContact CB-CD2 3.43Å; M206-W210 VanDerWaalsContact CB-CD2 3.43Å; M206-W210 HydrophobicContact CB-CE3 3.83Å; M206-W210 HydrophobicContact CB-CG 3.32Å; M206-W210 HydrophobicContact CE-CZ2 4.29Å; M206-W210 HydrophobicContact CG-CD2 3.7Å; M206-W210 HydrophobicContact CG-CE3 3.92Å; M206-W210 HydrophobicContact CG-CG 4.1Å; M206-W210 HydrophobicContact CG-CH2 4.28Å; M206-W210 HydrophobicContact CG-CZ2 4.11Å; M206-W210 HydrophobicContact CG-CZ3 4.22Å; G207-W210 VanDerWaalsContact O-CB 3.23Å; G207-W210 WeakPolarHBondContact O-CB 3.36Å; G207-W210 PolarHBondContact O-N 3.24Å; E208-W210 PolarHBondContact O-N 2.78Å; W210-Q212 VanDerWaalsContact CH2-CA 3.43Å; W210-Q212 HydrophobicContact CH2-CB 3.7Å; W210-Q212 HydrophobicContact CH2-CG 3.81Å; W210-Q212 HydrophobicContact CZ3-CB 3.65Å; W210-Q212 HydrophobicContact CZ3-CG 4.2Å | ||
| 211 | I | 91.1 | Very high | 93 | Very high | 142 Ų | 142 | 69 Ų | 69 | 73% | 0.728 | 36% | 0.357 | S | S | * | . | trans | -107.5 | 129.2 | 176.5 | -57.2 | 174.3 | 0 | 0 | 0 | 107.8 | ||||
| 212 | Q | 88.8 | Confident | 91.5 | Very high | 26 Ų | 26 | 68 Ų | 68 | 12% | 0.121 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -62 | 130 | 176.7 | -173.7 | 176.9 | -33.3 | 0 | 0 | 110.4 | P152 L202 W210 | P152-Q212 PolarHBondContact O-NE2 2.7Å; L202-Q212 HydrophobicContact CD1-CG 4.46Å; L202-Q212 VanDerWaalsContact CD1-OE1 3.32Å; W210-Q212 VanDerWaalsContact CH2-CA 3.43Å; W210-Q212 HydrophobicContact CH2-CB 3.7Å; W210-Q212 HydrophobicContact CH2-CG 3.81Å; W210-Q212 HydrophobicContact CZ3-CB 3.65Å; W210-Q212 HydrophobicContact CZ3-CG 4.2Å |
| 213 | P | 89.8 | Confident | 91.3 | Very high | 52 Ų | 52 | 71.4 Ų | 71.4 | 34% | 0.338 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -59.7 | 144 | 174.3 | -24.6 | 34.4 | 0 | 0 | 0 | 112.1 | W148 | W148-P213 HydrophobicContact CB-CB 4.19Å; W148-P213 HydrophobicContact CB-CG 3.88Å; W148-P213 HydrophobicContact CG-CG 3.93Å |
| 214 | E | 87.6 | Confident | 91.1 | Very high | 164 Ų | 164 | 72.5 Ų | 72.5 | 77% | 0.766 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -63.6 | 154.7 | 170.4 | -67.2 | -170.2 | 172.9 | 0 | 0 | 111.4 | ||
| 215 | S | 92.7 | Very high | 90.9 | Very high | 7 Ų | 7 | 73.4 Ų | 73.4 | 5% | 0.049 | 40% | 0.404 | C | S | . | . | trans | -132.3 | 124.2 | 174.3 | 170.3 | 0 | 0 | 0 | 0 | 111.6 | T149 L217 W218 | T149-S215 VanDerWaalsContact O-CB 3.28Å; T149-S215 WeakPolarHBondContact O-CB 3.38Å; T149-S215 PolarHBondContact O-OG 2.84Å; S215-L217 PolarHBondContact O-N 3.17Å; S215-L217 PolarHBondContact OG-N 2.86Å; S215-W218 PolarHBondContact O-N 3.29Å | ||
| 216 | D | 94.1 | Very high | 90.7 | Very high | 110 Ų | 110 | 77.4 Ų | 77.4 | 59% | 0.588 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -66.5 | -23.3 | 175.3 | -73.6 | -16 | 0 | 0 | 0 | 113.1 | W218 K219 | D216-W218 PolarHBondContact O-N 3.2Å; D216-K219 HydrophobicContact CB-CD 4.32Å; D216-K219 WeakPolarHBondContact O-CB 3.33Å; D216-K219 PolarHBondContact O-N 2.87Å; D216-K219 WeakPolarHBondContact OD1-CE 3.21Å; D216-K219 IonicContact OD1-NZ 2.62Å; D216-K219 PolarHBondContact OD1-NZ 3.48Å; D216-K219 IonicContact OD2-NZ 3.97Å |
| 217 | L | 96.6 | Very high | 90.4 | Very high | 53 Ų | 53 | 80.1 Ų | 80.1 | 28% | 0.277 | 44% | 0.442 | S | S | . | . | G | 310 helix | trans | -65 | -23.9 | -179.9 | -61.5 | 179.2 | 0 | 0 | 0 | 112.2 | L115 F123 L127 T149 Y150 S215 | L115-L217 HydrophobicContact CD1-CB 3.8Å; L115-L217 HydrophobicContact CD1-CD1 3.88Å; L115-L217 HydrophobicContact CD1-CG 4.42Å; F123-L217 WeakPolarHBondContact CE2-O 3.35Å; L127-L217 HydrophobicContact CD2-CD1 3.81Å; T149-L217 WeakPolarHBondContact O-CD1 3.37Å; Y150-L217 HydrophobicContact CD1-CD1 3.9Å; Y150-L217 HydrophobicContact CE1-CD1 4.25Å; S215-L217 PolarHBondContact O-N 3.17Å; S215-L217 PolarHBondContact OG-N 2.86Å |
| 218 | W | 96.2 | Very high | 90.2 | Very high | 11 Ų | 11 | 85.1 Ų | 85.1 | 4% | 0.042 | 47% | 0.469 | C | S | . | . | G | 310 helix | trans | -99.1 | 0.9 | -178 | -63.2 | 98.3 | 0 | 0 | 0 | 113.4 | N99 Y100 L115 L116 F123 Y150 F151 P152 S215 D216 G220 K221 | N99-W218 HydrophobicContact CB-CE3 3.85Å; N99-W218 HydrophobicContact CB-CH2 4.25Å; N99-W218 HydrophobicContact CB-CZ3 3.49Å; N99-W218 VanDerWaalsContact CB-CZ3 3.49Å; Y100-W218 WeakPolarHBondContact O-CH2 3.36Å; L115-W218 HydrophobicContact CB-CH2 3.8Å; L115-W218 HydrophobicContact CB-CZ2 3.83Å; L115-W218 HydrophobicContact CB-CZ3 4.46Å; L115-W218 HydrophobicContact CD1-CZ2 4.31Å; L115-W218 HydrophobicContact CD2-CH2 4.43Å; L115-W218 HydrophobicContact CD2-CZ2 3.7Å; L115-W218 HydrophobicContact CG-CZ2 4.14Å; L116-W218 VanDerWaalsContact O-CZ3 3.29Å; L116-W218 WeakPolarHBondContact O-CZ3 3.47Å; F123-W218 AromaticContact CE1-CE3 3.89Å; F123-W218 HydrophobicContact CE1-CE3 3.89Å; F123-W218 HydrophobicContact CE1-CH2 4.03Å; F123-W218 AromaticContact CE1-CZ3 3.44Å; F123-W218 HydrophobicContact CE1-CZ3 3.44Å; F123-W218 VanDerWaalsContact CE1-CZ3 3.44Å; F123-W218 HydrophobicContact CZ-CD2 4.15Å; F123-W218 AromaticContact CZ-CE3 3.62Å; F123-W218 HydrophobicContact CZ-CE3 3.62Å; F123-W218 HydrophobicContact CZ-CH2 4.17Å; F123-W218 AromaticContact CZ-CZ3 3.61Å; F123-W218 HydrophobicContact CZ-CZ3 3.61Å; Y150-W218 WeakPolarHBondContact O-CZ2 3.47Å; Y150-W218 PolarHBondContact O-NE1 3.35Å; F151-W218 VanDerWaalsContact O-CD1 3.29Å; F151-W218 PolarHBondContact O-NE1 3.12Å; F151-W218 VanDerWaalsContact O-NE1 3.12Å; P152-W218 HydrophobicContact CB-CD2 4.07Å; P152-W218 HydrophobicContact CB-CE3 4.29Å; P152-W218 HydrophobicContact CB-CH2 4.26Å; P152-W218 HydrophobicContact CB-CZ2 4.02Å; P152-W218 HydrophobicContact CB-CZ3 4.39Å; P152-W218 HydrophobicContact CG-CZ2 4.33Å; S215-W218 PolarHBondContact O-N 3.29Å; D216-W218 PolarHBondContact O-N 3.2Å; W218-G220 PolarHBondContact O-N 3.13Å; W218-K221 HydrophobicContact CE3-CB 4.29Å; W218-K221 HydrophobicContact CE3-CG 4.35Å; W218-K221 WeakPolarHBondContact O-CB 3.18Å; W218-K221 PolarHBondContact O-N 3.33Å; W218-K221 VanDerWaalsContact O-N 3.08Å |
| 219 | K | 92.7 | Very high | 90 | Very high | 142 Ų | 142 | 83.2 Ų | 83.2 | 62% | 0.617 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 125.8 | 178.2 | -80.5 | 176.7 | 170.7 | 167.2 | 0 | 110.8 | D216 K221 | D216-K219 HydrophobicContact CB-CD 4.32Å; D216-K219 WeakPolarHBondContact O-CB 3.33Å; D216-K219 PolarHBondContact O-N 2.87Å; D216-K219 WeakPolarHBondContact OD1-CE 3.21Å; D216-K219 IonicContact OD1-NZ 2.62Å; D216-K219 PolarHBondContact OD1-NZ 3.48Å; D216-K219 IonicContact OD2-NZ 3.97Å; K219-K221 VanDerWaalsContact C-N 3.29Å; K219-K221 PolarHBondContact O-N 3.49Å |
| 220 | G | 89.3 | Confident | 89.8 | Confident | 86 Ų | 86 | 77.1 Ų | 77.1 | 89% | 0.887 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.1 | 8.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | W218 | W218-G220 PolarHBondContact O-N 3.13Š|
| 221 | K | 89.8 | Confident | 89.5 | Confident | 72 Ų | 72 | 79.3 Ų | 79.3 | 31% | 0.313 | 45% | 0.454 | S | S | . | . | trans | -86.1 | 145.1 | 168.9 | -56.6 | -60.4 | 170.4 | 172.9 | 0 | 110.3 | F123 W218 K219 | F123-K221 HydrophobicContact CD1-CD 4.17Å; F123-K221 HydrophobicContact CD2-CD 4.2Å; F123-K221 HydrophobicContact CE1-CD 4.16Å; F123-K221 HydrophobicContact CE1-CG 4.1Å; F123-K221 HydrophobicContact CE2-CD 4.13Å; F123-K221 VanDerWaalsContact CE2-CE 3.47Å; F123-K221 HydrophobicContact CE2-CG 4.07Å; F123-K221 HydrophobicContact CG-CD 4.2Å; F123-K221 HydrophobicContact CZ-CD 4.13Å; F123-K221 HydrophobicContact CZ-CG 3.81Å; W218-K221 HydrophobicContact CE3-CB 4.29Å; W218-K221 HydrophobicContact CE3-CG 4.35Å; W218-K221 WeakPolarHBondContact O-CB 3.18Å; W218-K221 PolarHBondContact O-N 3.33Å; W218-K221 VanDerWaalsContact O-N 3.08Å; K219-K221 VanDerWaalsContact C-N 3.29Å; K219-K221 PolarHBondContact O-N 3.49Å | ||
| 222 | A | 65.3 | Low | 89.3 | Confident | 87 Ų | 87 | 73.6 Ų | 73.6 | 72% | 0.719 | 43% | 0.429 | S | S | * | . | trans | -50.5 | 0 | -171.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | K97 N99 | K97-A222 WeakPolarHBondContact CB-O 3.28Å; K97-A222 WeakPolarHBondContact CD-O 3.36Å; K97-A222 WeakPolarHBondContact CD-OXT 3.46Å; K97-A222 WeakPolarHBondContact CE-OXT 3.22Å; K97-A222 VanDerWaalsContact CG-O 3.26Å; K97-A222 WeakPolarHBondContact CG-O 3.28Å; K97-A222 VanDerWaalsContact CG-OXT 3.27Å; K97-A222 WeakPolarHBondContact CG-OXT 3.18Å; N99-A222 PolarHBondContact ND2-O 3.36Å |
Retrieved 222 of 222 residues in 63 ms
(Link to these results)