| 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 | 35.9 | Very low | 37.7 | Very low | 243 Ų | 243 | 145.5 Ų | 145.5 | 100% | 1.197 | 82% | 0.822 | S | S | * | * | 0 | 137.1 | 0 | -75.2 | 165.9 | 77.7 | 0 | 0 | 107.6 | |||||
| 2 | F | 32.5 | Very low | 37.7 | Very low | 205 Ų | 205 | 146.8 Ų | 146.8 | 90% | 0.899 | 81% | 0.813 | S | S | * | * | trans | -53.3 | 165 | 173.2 | -71.2 | -110.1 | 0 | 0 | 0 | 111.4 | ||||
| 3 | V | 35.2 | Very low | 37.6 | Very low | 129 Ų | 129 | 147.1 Ų | 147.1 | 78% | 0.782 | 81% | 0.811 | S | S | * | * | cis | -163 | 156.6 | 44.3 | 178.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 4 | S | 37.3 | Very low | 37.7 | Very low | 110 Ų | 110 | 147.6 Ų | 147.6 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | trans | -36.2 | 162.4 | 173.6 | 72.2 | 0 | 0 | 0 | 0 | 123 | ||||
| 5 | G | 35.1 | Very low | 37.9 | Very low | 75 Ų | 75 | 144.1 Ų | 144.1 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | -179.2 | 102.1 | 145 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 6 | L | 48.6 | Very low | 38.6 | Very low | 170 Ų | 170 | 142.8 Ų | 142.8 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | trans | -59.6 | 142.7 | 172.3 | -79.8 | 116.1 | 0 | 0 | 0 | 112.8 | ||||
| 7 | V | 37.7 | Very low | 39.4 | Very low | 148 Ų | 148 | 137.3 Ų | 137.3 | 90% | 0.897 | 78% | 0.783 | S | S | * | * | trans | -142.1 | 136.8 | 142.2 | -174.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 8 | S | 38.4 | Very low | 40.3 | Very low | 93 Ų | 93 | 135.6 Ų | 135.6 | 65% | 0.65 | 77% | 0.77 | S | S | * | * | trans | -57.2 | 147.3 | -163.6 | -63.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 9 | V | 42.5 | Very low | 41 | Very low | 117 Ų | 117 | 134.4 Ų | 134.4 | 71% | 0.709 | 76% | 0.761 | S | S | * | * | trans | -50.8 | 125.7 | 153.2 | 176.8 | 0 | 0 | 0 | 0 | 110.8 | L11 | V9-L11 HydrophobicContact CG1-CD1 4.1Š| ||
| 10 | F | 36.4 | Very low | 42 | Very low | 170 Ų | 170 | 129.1 Ų | 129.1 | 75% | 0.746 | 73% | 0.732 | S | S | * | * | trans | -130.4 | 84.8 | 151.9 | -84.8 | -78.7 | 0 | 0 | 0 | 108.4 | F12 | F10-F12 VanDerWaalsContact C-N 3.34Å; F10-F12 HydrophobicContact CB-CD2 4.28Å; F10-F12 HydrophobicContact CB-CE2 4.17Å; F10-F12 HydrophobicContact CD1-CE2 4.44Å; F10-F12 PolarHBondContact O-N 2.69Å; F10-F12 VanDerWaalsContact O-N 3.14Å | ||
| 11 | L | 35 | Very low | 43.2 | Very low | 140 Ų | 140 | 125 Ų | 125 | 73% | 0.733 | 72% | 0.715 | S | S | * | * | trans | -68.5 | 97.8 | 155.9 | -100.1 | 124.6 | 0 | 0 | 0 | 106.8 | V9 L13 | V9-L11 HydrophobicContact CG1-CD1 4.1Å; L11-L13 PolarHBondContact O-N 3.03Å | ||
| 12 | F | 37.4 | Very low | 45.1 | Very low | 161 Ų | 161 | 114.5 Ų | 114.5 | 71% | 0.706 | 66% | 0.662 | S | S | * | * | trans | -71.7 | 85.8 | 160.1 | -82.4 | -84.4 | 0 | 0 | 0 | 108 | F10 H14 | F10-F12 VanDerWaalsContact C-N 3.34Å; F10-F12 HydrophobicContact CB-CD2 4.28Å; F10-F12 HydrophobicContact CB-CE2 4.17Å; F10-F12 HydrophobicContact CD1-CE2 4.44Å; F10-F12 PolarHBondContact O-N 2.69Å; F10-F12 VanDerWaalsContact O-N 3.14Å; F12-H14 PolarHBondContact O-N 3.06Å | ||
| 13 | L | 36.3 | Very low | 47.5 | Very low | 151 Ų | 151 | 108.4 Ų | 108.4 | 79% | 0.791 | 64% | 0.642 | S | S | * | * | trans | -62.1 | 92.6 | 154.5 | -92 | 142.5 | 0 | 0 | 0 | 106.7 | L11 A15 | L11-L13 PolarHBondContact O-N 3.03Å; L13-A15 PolarHBondContact O-N 3.04Å | ||
| 14 | H | 39.9 | Very low | 50.1 | Low | 155 Ų | 155 | 103.3 Ų | 103.3 | 72% | 0.718 | 61% | 0.611 | S | S | * | * | trans | -66 | 97.8 | 157.3 | -82.7 | 74.1 | 0 | 0 | 0 | 105.7 | F12 T16 | F12-H14 PolarHBondContact O-N 3.06Å; H14-T16 PolarHBondContact O-N 2.74Å | ||
| 15 | A | 41 | Very low | 52.8 | Low | 94 Ų | 94 | 101.5 Ų | 101.5 | 78% | 0.777 | 60% | 0.596 | S | S | * | * | trans | -60.7 | 96.1 | 161.9 | 0 | 0 | 0 | 0 | 0 | 106.3 | L13 G17 | L13-A15 PolarHBondContact O-N 3.04Å; A15-G17 PolarHBondContact O-N 3.01Å | ||
| 16 | T | 49.1 | Very low | 55.7 | Low | 124 Ų | 124 | 99.6 Ų | 99.6 | 76% | 0.761 | 57% | 0.569 | S | S | * | * | trans | -69.8 | 82.1 | 159.7 | 52.7 | 0 | 0 | 0 | 0 | 105.6 | H14 I18 | H14-T16 PolarHBondContact O-N 2.74Å; T16-I18 PolarHBondContact O-N 3.2Å; T16-I18 VanDerWaalsContact O-N 3.08Å | ||
| 17 | G | 50.9 | Low | 57.9 | Low | 49 Ų | 49 | 96 Ų | 96 | 51% | 0.505 | 56% | 0.558 | S | S | . | * | trans | -56 | 112.2 | 159.8 | 0 | 0 | 0 | 0 | 0 | 106.2 | A15 D19 | A15-G17 PolarHBondContact O-N 3.01Å; G17-D19 VanDerWaalsContact C-N 3.28Å; G17-D19 PolarHBondContact O-N 3.31Å | ||
| 18 | I | 55.8 | Low | 60.7 | Low | 107 Ų | 107 | 90.5 Ų | 90.5 | 55% | 0.549 | 52% | 0.524 | S | S | . | . | trans | -66.9 | 99.8 | 167.9 | -62.9 | 170.6 | 0 | 0 | 0 | 104.4 | T16 C20 F49 | T16-I18 PolarHBondContact O-N 3.2Å; T16-I18 VanDerWaalsContact O-N 3.08Å; I18-C20 PolarHBondContact O-N 2.58Å; I18-F49 HydrophobicContact CG2-CD2 4.04Å; I18-F49 HydrophobicContact CG2-CE2 3.65Å; I18-F49 HydrophobicContact CG2-CZ 4.46Å | ||
| 19 | D | 53.6 | Low | 63.5 | Low | 112 Ų | 112 | 89 Ų | 89 | 60% | 0.599 | 52% | 0.516 | S | S | * | . | trans | -65.3 | 100.5 | 170.3 | -81 | -27.1 | 0 | 0 | 0 | 107.2 | G17 A21 | G17-D19 VanDerWaalsContact C-N 3.28Å; G17-D19 PolarHBondContact O-N 3.31Å; D19-A21 PolarHBondContact O-N 2.95Å | ||
| 20 | C | 60.8 | Low | 66.1 | Low | 28 Ų | 28 | 87.2 Ų | 87.2 | 19% | 0.189 | 50% | 0.503 | C | S | . | . | trans | -65.6 | 96.5 | 176.3 | -65.5 | 0 | 0 | 0 | 0 | 109.2 | I18 N112 | I18-C20 PolarHBondContact O-N 2.58Å; C20-N112 PolarHBondContact N-ND2 3.01Å; C20-N112 VanDerWaalsContact O-CB 3.25Å; C20-N112 WeakPolarHBondContact O-CB 3.48Å; C20-N112 PolarHBondContact O-ND2 3.15Å | ||
| 21 | A | 67.4 | Low | 69 | Low | 45 Ų | 45 | 79.9 Ų | 79.9 | 37% | 0.372 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -72 | 137.6 | -180 | 0 | 0 | 0 | 0 | 0 | 110.1 | D19 D48 | D19-A21 PolarHBondContact O-N 2.95Å; A21-D48 PolarHBondContact O-N 2.83Å |
| 22 | F | 76.2 | Confident | 71.9 | Confident | 22 Ų | 22 | 80.8 Ų | 80.8 | 10% | 0.096 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 128.8 | 168.2 | -73.4 | -88.1 | 0 | 0 | 0 | 108.7 | A47 A51 A53 V107 N112 | F22-A47 HydrophobicContact CD1-CB 3.68Å; F22-A47 HydrophobicContact CE1-CB 3.34Å; F22-A47 HydrophobicContact CZ-CB 4.11Å; F22-A51 HydrophobicContact CZ-CB 4.15Å; F22-A53 HydrophobicContact CD1-CB 4.37Å; F22-A53 HydrophobicContact CE1-CB 3.72Å; F22-V107 HydrophobicContact CD1-CG1 3.94Å; F22-V107 HydrophobicContact CE1-CG1 4.36Å; F22-V107 HydrophobicContact CG-CG1 4.49Å; F22-N112 HydrophobicContact CD2-CB 3.98Å |
| 23 | T | 83.9 | Confident | 74.7 | Confident | 77 Ų | 77 | 73.5 Ų | 73.5 | 47% | 0.472 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 126.2 | 167.1 | -59.8 | 0 | 0 | 0 | 0 | 108.2 | T25 H45 S46 | T23-T25 HydrophobicContact CG2-CG2 4.16Å; T23-H45 VanDerWaalsContact O-CA 3.26Å; T23-H45 WeakPolarHBondContact O-CA 3.42Å; T23-S46 PolarHBondContact N-O 2.85Å; T23-S46 PolarHBondContact O-N 2.78Å |
| 24 | V | 89.6 | Confident | 77.5 | Confident | 21 Ų | 21 | 71.5 Ų | 71.5 | 13% | 0.127 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 126.4 | 179.2 | -172 | 0 | 0 | 0 | 0 | 108.6 | T44 H45 V107 V116 | V24-T44 WeakPolarHBondContact CA-O 3.49Å; V24-H45 HydrophobicContact CG2-CB 4.42Å; V24-V107 HydrophobicContact CB-CG2 4.39Å; V24-V107 HydrophobicContact CG1-CG2 3.88Å; V24-V107 HydrophobicContact CG2-CB 3.6Å; V24-V107 HydrophobicContact CG2-CG2 3.53Å; V24-V116 HydrophobicContact CG1-CB 4.02Å; V24-V116 HydrophobicContact CG1-CG1 3.67Å |
| 25 | T | 92.5 | Very high | 80.1 | Confident | 73 Ų | 73 | 66.8 Ų | 66.8 | 45% | 0.448 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 163.7 | -177.9 | 58.1 | 0 | 0 | 0 | 0 | 110.6 | T23 C43 T44 | T23-T25 HydrophobicContact CG2-CG2 4.16Å; T25-C43 WeakPolarHBondContact O-CA 3.49Å; T25-T44 PolarHBondContact N-O 3.13Å; T25-T44 PolarHBondContact O-N 3.24Å |
| 26 | T | 95.9 | Very high | 82.7 | Confident | 35 Ų | 35 | 67.3 Ų | 67.3 | 22% | 0.215 | 39% | 0.388 | C | S | . | . | trans | -130.3 | 143 | 173.5 | -177.8 | 0 | 0 | 0 | 0 | 109.2 | N28 A29 Y42 V116 V118 | T26-N28 PolarHBondContact OG1-N 2.91Å; T26-N28 PolarHBondContact OG1-OD1 3.16Å; T26-A29 HydrophobicContact CG2-CB 4.01Å; T26-Y42 VanDerWaalsContact CB-O 3.25Å; T26-Y42 WeakPolarHBondContact CB-O 3.32Å; T26-Y42 PolarHBondContact OG1-O 2.87Å; T26-V116 HydrophobicContact CG2-CG2 3.53Å; T26-V118 HydrophobicContact CG2-CG2 4.16Å; T26-V118 WeakPolarHBondContact OG1-CG2 3.25Å | ||
| 27 | S | 96 | Very high | 85 | Confident | 94 Ų | 94 | 66.2 Ų | 66.2 | 66% | 0.657 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -87.7 | -12.6 | 171.7 | 56.8 | 0 | 0 | 0 | 0 | 112.8 | Y42 | S27-Y42 WeakPolarHBondContact OG-CB 3.49Š|
| 28 | N | 96.8 | Very high | 87.2 | Confident | 33 Ų | 33 | 66.1 Ų | 66.1 | 18% | 0.176 | 37% | 0.374 | C | S | . | . | trans | -140.2 | 75.6 | -176.3 | 67.5 | -21.8 | 0 | 0 | 0 | 113.2 | T26 D30 V31 D40 Y42 V118 | T26-N28 PolarHBondContact OG1-N 2.91Å; T26-N28 PolarHBondContact OG1-OD1 3.16Å; N28-D30 VanDerWaalsContact C-N 3.31Å; N28-D30 PolarHBondContact O-N 3.23Å; N28-V31 HydrophobicContact CB-CG2 4.1Å; N28-V31 WeakPolarHBondContact ND2-CG2 3.34Å; N28-V31 WeakPolarHBondContact O-CG2 3.41Å; N28-D40 PolarHBondContact ND2-O 2.9Å; N28-Y42 HydrophobicContact CB-CD2 4.41Å; N28-Y42 WeakPolarHBondContact ND2-CD2 3.36Å; N28-Y42 WeakPolarHBondContact OD1-CB 3.31Å; N28-Y42 PolarHBondContact OD1-N 2.68Å; N28-V118 VanDerWaalsContact O-CG1 3.28Å; N28-V118 WeakPolarHBondContact O-CG1 3.44Å | ||
| 29 | A | 96.7 | Very high | 89.2 | Confident | 60 Ų | 60 | 61.3 Ų | 61.3 | 50% | 0.496 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -66.1 | -23.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | T26 K119 | T26-A29 HydrophobicContact CG2-CB 4.01Å; A29-K119 PolarHBondContact O-N 2.59Å |
| 30 | D | 96.8 | Very high | 91.3 | Very high | 80 Ų | 80 | 57.8 Ų | 57.8 | 43% | 0.428 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 107.7 | 173.3 | -176 | 15.2 | 0 | 0 | 0 | 109.5 | N28 R32 | N28-D30 VanDerWaalsContact C-N 3.31Å; N28-D30 PolarHBondContact O-N 3.23Å; D30-R32 IonicContact OD2-CZ 3.43Å; D30-R32 IonicContact OD2-NE 3.72Å; D30-R32 IonicContact OD2-NH2 3.83Å; D30-R32 PolarHBondContact OD2-NH2 2.85Å |
| 31 | V | 97.3 | Very high | 93 | Very high | 17 Ų | 17 | 56.5 Ų | 56.5 | 10% | 0.103 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 131 | -179.5 | -175.6 | 0 | 0 | 0 | 0 | 109 | N28 A39 V118 K119 L120 T121 | N28-V31 HydrophobicContact CB-CG2 4.1Å; N28-V31 WeakPolarHBondContact ND2-CG2 3.34Å; N28-V31 WeakPolarHBondContact O-CG2 3.41Å; V31-A39 HydrophobicContact CG1-CB 4.49Å; V31-V118 HydrophobicContact CG2-CG1 3.78Å; V31-K119 PolarHBondContact N-O 2.86Å; V31-L120 HydrophobicContact CB-CD1 4.01Å; V31-L120 HydrophobicContact CG1-CD1 3.8Å; V31-L120 WeakPolarHBondContact O-CA 3.45Å; V31-T121 PolarHBondContact O-N 3.34Å |
| 32 | R | 96.3 | Very high | 94.4 | Very high | 159 Ų | 159 | 58.8 Ų | 58.8 | 60% | 0.6 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 124.7 | 175.2 | -56 | -173.3 | -176.1 | 175.3 | 3.8 | 109.5 | D30 T121 L123 | D30-R32 IonicContact OD2-CZ 3.43Å; D30-R32 IonicContact OD2-NE 3.72Å; D30-R32 IonicContact OD2-NH2 3.83Å; D30-R32 PolarHBondContact OD2-NH2 2.85Å; R32-T121 WeakPolarHBondContact CA-O 3.43Å; R32-L123 HydrophobicContact CB-CD1 4.08Å; R32-L123 HydrophobicContact CB-CG 4.31Å |
| 33 | A | 96.7 | Very high | 95.3 | Very high | 8 Ų | 8 | 58 Ų | 58 | 7% | 0.066 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 142.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | A39 V95 L120 T121 V122 L123 | A33-A39 HydrophobicContact CB-CB 3.78Å; A33-V95 HydrophobicContact CB-CG2 3.93Å; A33-L120 HydrophobicContact CB-CD1 4.42Å; A33-T121 PolarHBondContact N-O 2.77Å; A33-T121 VanDerWaalsContact N-O 3.14Å; A33-V122 CarbonylContact O-C 3.58Å; A33-V122 WeakPolarHBondContact O-CA 3.37Å; A33-L123 PolarHBondContact O-N 2.78Å |
| 34 | K | 95.4 | Very high | 95.6 | Very high | 108 Ų | 108 | 58.2 Ų | 58.2 | 47% | 0.47 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 150.5 | 174.8 | -63.2 | 173.9 | -179.5 | 171.7 | 0 | 110.2 | N36 E37 V95 L123 | K34-N36 PolarHBondContact O-N 3.44Å; K34-E37 HydrophobicContact CB-CG 4.15Å; K34-E37 WeakPolarHBondContact O-CB 3.23Å; K34-E37 PolarHBondContact O-N 3.41Å; K34-E37 VanDerWaalsContact O-N 3.1Å; K34-V95 VanDerWaalsContact O-CG2 3.23Å; K34-V95 WeakPolarHBondContact O-CG2 3.35Å; K34-L123 WeakPolarHBondContact CA-O 3.3Å; K34-L123 HydrophobicContact CG-CB 4.34Å |
| 35 | E | 94.6 | Very high | 95.6 | Very high | 56 Ų | 56 | 59.5 Ų | 59.5 | 26% | 0.262 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 137.2 | 175.4 | -179.2 | 165.9 | -129.1 | 0 | 0 | 111.4 | E37 R97 V122 L123 V124 | E35-E37 VanDerWaalsContact C-N 3.26Å; E35-E37 PolarHBondContact O-N 2.88Å; E35-R97 WeakPolarHBondContact OE1-CD 3.44Å; E35-R97 VanDerWaalsContact OE1-CG 3.26Å; E35-R97 WeakPolarHBondContact OE1-CG 3.43Å; E35-R97 PolarHBondContact OE1-N 3.4Å; E35-R97 IonicContact OE1-NE 3.98Å; E35-R97 PolarHBondContact OE1-NE 2.98Å; E35-R97 IonicContact OE2-CZ 3.58Å; E35-R97 IonicContact OE2-NE 2.72Å; E35-R97 PolarHBondContact OE2-NE 3.49Å; E35-R97 IonicContact OE2-NH2 3.37Å; E35-V122 HydrophobicContact CB-CG1 4.08Å; E35-L123 PolarHBondContact N-O 2.72Å; E35-V124 HydrophobicContact CB-CG2 3.97Å |
| 36 | N | 94.9 | Very high | 95.2 | Very high | 106 Ų | 106 | 59.2 Ų | 59.2 | 57% | 0.567 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.6 | 7 | -173.7 | -52.4 | -59.4 | 0 | 0 | 0 | 116.5 | K34 V95 | K34-N36 PolarHBondContact O-N 3.44Å; N36-V95 PolarHBondContact N-O 2.97Å |
| 37 | E | 96.2 | Very high | 94.3 | Very high | 101 Ų | 101 | 58.8 Ų | 58.8 | 47% | 0.472 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -98.6 | 166.6 | 170.8 | -63.6 | -177.1 | -179.2 | 0 | 0 | 111.7 | K34 E35 K94 V95 | K34-E37 HydrophobicContact CB-CG 4.15Å; K34-E37 WeakPolarHBondContact O-CB 3.23Å; K34-E37 PolarHBondContact O-N 3.41Å; K34-E37 VanDerWaalsContact O-N 3.1Å; E35-E37 VanDerWaalsContact C-N 3.26Å; E35-E37 PolarHBondContact O-N 2.88Å; E37-K94 CarbonylContact O-C 3.58Å; E37-K94 VanDerWaalsContact O-CA 3.32Å; E37-K94 WeakPolarHBondContact O-CA 3.47Å; E37-V95 WeakPolarHBondContact O-CG2 3.43Å; E37-V95 PolarHBondContact O-N 2.84Å |
| 38 | G | 96.9 | Very high | 93.1 | Very high | 47 Ų | 47 | 58 Ų | 58 | 49% | 0.485 | 31% | 0.314 | S | S | . | . | trans | -76.7 | 155.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | F92 | G38-F92 WeakPolarHBondContact CA-O 3.23Š| ||
| 39 | A | 98 | Very high | 91.8 | Very high | 6 Ų | 6 | 64.5 Ų | 64.5 | 5% | 0.05 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 136.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | V31 A33 L41 F92 V95 L120 | V31-A39 HydrophobicContact CG1-CB 4.49Å; A33-A39 HydrophobicContact CB-CB 3.78Å; A39-L41 HydrophobicContact CB-CD1 4.48Å; A39-F92 HydrophobicContact CB-CB 4.38Å; A39-F92 PolarHBondContact N-O 3.01Å; A39-F92 VanDerWaalsContact N-O 3.1Å; A39-F92 PolarHBondContact O-N 2.82Å; A39-V95 HydrophobicContact CB-CG1 3.54Å; A39-L120 HydrophobicContact CB-CD1 4Å |
| 40 | D | 97.8 | Very high | 90.1 | Very high | 38 Ų | 38 | 64.8 Ų | 64.8 | 20% | 0.203 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 127.4 | 179.3 | -68.2 | -19.8 | 0 | 0 | 0 | 110.1 | N28 Y42 M89 R91 | N28-D40 PolarHBondContact ND2-O 2.9Å; D40-Y42 HydrophobicContact CB-CE2 4.08Å; D40-M89 HydrophobicContact CB-SD 4.06Å; D40-R91 WeakPolarHBondContact OD1-CB 3.27Å; D40-R91 WeakPolarHBondContact OD1-CG 3.42Å; D40-R91 IonicContact OD1-CZ 3.5Å; D40-R91 IonicContact OD1-NE 2.71Å; D40-R91 PolarHBondContact OD1-NE 2.97Å; D40-R91 IonicContact OD1-NH2 3.45Å; D40-R91 IonicContact OD2-CZ 2.68Å; D40-R91 IonicContact OD2-NE 3.58Å; D40-R91 PolarHBondContact OD2-NE 2.85Å; D40-R91 IonicContact OD2-NH2 3.88Å; D40-R91 PolarHBondContact OD2-NH2 2.9Å |
| 41 | L | 97.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 115.1 | 175.1 | -68.4 | 66.6 | 0 | 0 | 0 | 107.2 | A39 W57 M89 L90 F92 Y103 V118 L120 | A39-L41 HydrophobicContact CB-CD1 4.48Å; L41-W57 HydrophobicContact CB-CH2 3.65Å; L41-W57 HydrophobicContact CB-CZ2 4.26Å; L41-W57 HydrophobicContact CB-CZ3 4.12Å; L41-W57 HydrophobicContact CD2-CH2 4.42Å; L41-W57 HydrophobicContact CD2-CZ3 4.04Å; L41-M89 WeakPolarHBondContact O-CA 3.28Å; L41-M89 WeakPolarHBondContact O-CG 3.29Å; L41-L90 HydrophobicContact CB-CB 4.28Å; L41-L90 HydrophobicContact CD2-CD2 4.46Å; L41-L90 PolarHBondContact N-O 2.02Å; L41-L90 PolarHBondContact O-N 2.78Å; L41-F92 HydrophobicContact CD1-CD2 4Å; L41-F92 HydrophobicContact CD1-CE2 4.05Å; L41-Y103 HydrophobicContact CD2-CD1 4.11Å; L41-Y103 HydrophobicContact CD2-CD2 3.79Å; L41-Y103 HydrophobicContact CD2-CG 3.56Å; L41-V118 HydrophobicContact CB-CG1 4.05Å; L41-V118 HydrophobicContact CD2-CB 4.27Å; L41-V118 HydrophobicContact CD2-CG1 3.9Å; L41-V118 HydrophobicContact CG-CB 4.5Å; L41-V118 HydrophobicContact CG-CG1 3.73Å; L41-L120 HydrophobicContact CD1-CD2 4.48Å |
| 42 | Y | 96.5 | Very high | 87.6 | Confident | 93 Ų | 93 | 69.5 Ų | 69.5 | 37% | 0.365 | 38% | 0.38 | S | S | . | . | trans | -88.6 | 135.8 | -175.8 | -69.9 | -79.4 | 0 | 0 | 0 | 110.8 | T26 S27 N28 D40 M89 | T26-Y42 VanDerWaalsContact CB-O 3.25Å; T26-Y42 WeakPolarHBondContact CB-O 3.32Å; T26-Y42 PolarHBondContact OG1-O 2.87Å; S27-Y42 WeakPolarHBondContact OG-CB 3.49Å; N28-Y42 HydrophobicContact CB-CD2 4.41Å; N28-Y42 WeakPolarHBondContact ND2-CD2 3.36Å; N28-Y42 WeakPolarHBondContact OD1-CB 3.31Å; N28-Y42 PolarHBondContact OD1-N 2.68Å; D40-Y42 HydrophobicContact CB-CE2 4.08Å; Y42-M89 HydrophobicContact CD1-CB 4.37Å; Y42-M89 HydrophobicContact CD1-CG 4Å; Y42-M89 HydrophobicContact CD1-SD 3.92Å; Y42-M89 HydrophobicContact CE1-CG 4.1Å; Y42-M89 HydrophobicContact CE1-SD 3.38Å; Y42-M89 WeakPolarHBondContact CE1-SD 3.37Å | ||
| 43 | C | 93.9 | Very high | 86.9 | Confident | 6 Ų | 6 | 63.5 Ų | 63.5 | 4% | 0.041 | 36% | 0.364 | C | S | . | . | trans | -138.7 | 116.5 | 170.6 | 178.3 | 0 | 0 | 0 | 0 | 108.1 | T25 W57 G88 C105 | T25-C43 WeakPolarHBondContact O-CA 3.49Å; C43-W57 HydrophobicContact CB-CH2 4.12Å; C43-W57 HydrophobicContact CB-CZ2 3.53Å; C43-G88 WeakPolarHBondContact CB-O 3.37Å; C43-C105 HydrophobicContact CB-CB 3.5Å; C43-C105 WeakPolarHBondContact CB-SG 3.42Å; C43-C105 WeakPolarHBondContact SG-CB 3.36Å; C43-C105 CovalentContact SG-SG 2.02Å; C43-C105 PolarHBondContact SG-SG 2.79Å | ||
| 44 | T | 92 | Very high | 86.5 | Confident | 81 Ų | 81 | 68.8 Ų | 68.8 | 50% | 0.497 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 133.4 | 177.3 | -54.5 | 0 | 0 | 0 | 0 | 107.8 | V24 T25 | V24-T44 WeakPolarHBondContact CA-O 3.49Å; T25-T44 PolarHBondContact N-O 3.13Å; T25-T44 PolarHBondContact O-N 3.24Å |
| 45 | H | 88.6 | Confident | 86.2 | Confident | 49 Ų | 49 | 63.9 Ų | 63.9 | 23% | 0.227 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 144.8 | -179.7 | 65.8 | -73 | 0 | 0 | 0 | 110.5 | T23 V24 A53 D87 V107 | T23-H45 VanDerWaalsContact O-CA 3.26Å; T23-H45 WeakPolarHBondContact O-CA 3.42Å; V24-H45 HydrophobicContact CG2-CB 4.42Å; H45-A53 WeakPolarHBondContact CD2-CB 3.32Å; H45-A53 WeakPolarHBondContact NE2-CB 3.29Å; H45-D87 PolarHBondContact CE1-O 3.47Å; H45-V107 HydrophobicContact CB-CG1 4.17Å; H45-V107 HydrophobicContact CB-CG2 3.93Å |
| 46 | S | 84.3 | Confident | 86.1 | Confident | 66 Ų | 66 | 62.4 Ų | 62.4 | 46% | 0.462 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 140.1 | 171 | 61.2 | 0 | 0 | 0 | 0 | 109.1 | T23 | T23-S46 PolarHBondContact N-O 2.85Å; T23-S46 PolarHBondContact O-N 2.78Å |
| 47 | A | 76.3 | Confident | 86.2 | Confident | 27 Ų | 27 | 57.3 Ų | 57.3 | 22% | 0.223 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 133 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | F22 A51 | F22-A47 HydrophobicContact CD1-CB 3.68Å; F22-A47 HydrophobicContact CE1-CB 3.34Å; F22-A47 HydrophobicContact CZ-CB 4.11Å; A47-A51 HydrophobicContact CB-CB 4.23Å |
| 48 | D | 72.2 | Confident | 86.2 | Confident | 77 Ų | 77 | 54.7 Ų | 54.7 | 41% | 0.412 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -62.1 | 141.1 | 169.6 | -64.9 | -26.3 | 0 | 0 | 0 | 109.8 | A21 G50 | A21-D48 PolarHBondContact O-N 2.83Å; D48-G50 PolarHBondContact O-N 3.16Å; D48-G50 VanDerWaalsContact O-N 3.14Å |
| 49 | F | 67.7 | Low | 86.1 | Confident | 170 Ų | 170 | 53.3 Ų | 53.3 | 75% | 0.746 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | 59.3 | 21.9 | 175.6 | -50.6 | -78.5 | 0 | 0 | 0 | 116.4 | I18 A51 | I18-F49 HydrophobicContact CG2-CD2 4.04Å; I18-F49 HydrophobicContact CG2-CE2 3.65Å; I18-F49 HydrophobicContact CG2-CZ 4.46Å; F49-A51 PolarHBondContact O-N 3.14Å |
| 50 | G | 62.5 | Low | 85.9 | Confident | 66 Ų | 66 | 56.5 Ų | 56.5 | 68% | 0.68 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | 71.3 | 26.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | D48 | D48-G50 PolarHBondContact O-N 3.16Å; D48-G50 VanDerWaalsContact O-N 3.14Å |
| 51 | A | 68.8 | Low | 85.2 | Confident | 36 Ų | 36 | 57.2 Ų | 57.2 | 30% | 0.298 | 31% | 0.311 | S | S | . | . | trans | -60.9 | 138.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | F22 A47 F49 A53 | F22-A51 HydrophobicContact CZ-CB 4.15Å; A47-A51 HydrophobicContact CB-CB 4.23Å; F49-A51 PolarHBondContact O-N 3.14Å; A51-A53 PolarHBondContact O-N 2.78Å; A51-A53 VanDerWaalsContact O-N 3.16Å | ||
| 52 | N | 73.1 | Confident | 84.3 | Confident | 159 Ų | 159 | 65.5 Ų | 65.5 | 85% | 0.85 | 35% | 0.352 | S | S | * | . | trans | -66.6 | 114.3 | 175.5 | -74.1 | -28.3 | 0 | 0 | 0 | 110.3 | ||||
| 53 | A | 80.9 | Confident | 83.7 | Confident | 33 Ų | 33 | 70.2 Ų | 70.2 | 27% | 0.273 | 38% | 0.375 | S | S | . | . | trans | -86.5 | 130.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F22 H45 A51 V107 | F22-A53 HydrophobicContact CD1-CB 4.37Å; F22-A53 HydrophobicContact CE1-CB 3.72Å; H45-A53 WeakPolarHBondContact CD2-CB 3.32Å; H45-A53 WeakPolarHBondContact NE2-CB 3.29Å; A51-A53 PolarHBondContact O-N 2.78Å; A51-A53 VanDerWaalsContact O-N 3.16Å; A53-V107 HydrophobicContact CB-CG1 3.73Å | ||
| 54 | R | 87.2 | Confident | 83.3 | Confident | 120 Ų | 120 | 71.8 Ų | 71.8 | 45% | 0.453 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 108.2 | 168.9 | -179.9 | -178.1 | -69.2 | -90.2 | -2 | 109.2 | E56 D72 V107 S108 | R54-E56 HydrophobicContact CG-CG 4.3Å; R54-D72 IonicContact CZ-OD1 3.85Å; R54-D72 IonicContact NH1-OD1 3.21Å; R54-D72 PolarHBondContact NH1-OD1 3.14Å; R54-D72 IonicContact NH2-OD1 3.56Å; R54-V107 WeakPolarHBondContact O-CA 3.32Å; R54-S108 WeakPolarHBondContact CB-O 3.4Å; R54-S108 PolarHBondContact N-O 2.78Å; R54-S108 PolarHBondContact O-N 3.34Å |
| 55 | V | 90.2 | Very high | 83.1 | Confident | 4 Ų | 4 | 70.9 Ų | 70.9 | 2% | 0.024 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 123.5 | 175.9 | -173 | 0 | 0 | 0 | 0 | 111.1 | K85 C105 A106 V107 | V55-K85 PolarHBondContact O-NZ 3.38Å; V55-C105 WeakPolarHBondContact CG1-SG 3.48Å; V55-A106 WeakPolarHBondContact CA-O 3.21Å; V55-V107 HydrophobicContact CG1-CG2 4.3Å; V55-V107 HydrophobicContact CG2-CG1 4.27Å; V55-V107 HydrophobicContact CG2-CG2 4.04Å |
| 56 | E | 93.1 | Very high | 83.3 | Confident | 25 Ų | 25 | 72.3 Ų | 72.3 | 12% | 0.117 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 149.3 | 175 | -63.5 | -171.1 | 163.7 | 0 | 0 | 110.5 | R54 H68 A106 | R54-E56 HydrophobicContact CG-CG 4.3Å; E56-H68 IonicContact OE2-CE1 3.28Å; E56-H68 IonicContact OE2-ND1 3.74Å; E56-A106 PolarHBondContact N-O 2.83Å; E56-A106 PolarHBondContact O-N 2.89Å |
| 57 | W | 96.3 | Very high | 83.7 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 132.3 | 175.3 | -80.2 | 89.8 | 0 | 0 | 0 | 109.6 | L41 C43 V69 I70 G88 L90 Y104 C105 V118 | L41-W57 HydrophobicContact CB-CH2 3.65Å; L41-W57 HydrophobicContact CB-CZ2 4.26Å; L41-W57 HydrophobicContact CB-CZ3 4.12Å; L41-W57 HydrophobicContact CD2-CH2 4.42Å; L41-W57 HydrophobicContact CD2-CZ3 4.04Å; C43-W57 HydrophobicContact CB-CH2 4.12Å; C43-W57 HydrophobicContact CB-CZ2 3.53Å; W57-V69 HydrophobicContact CB-CB 4.1Å; W57-V69 PolarHBondContact O-N 2.99Å; W57-I70 HydrophobicContact CB-CB 4.07Å; W57-I70 HydrophobicContact CB-CG1 4.03Å; W57-I70 HydrophobicContact CG-CG1 4.39Å; W57-I70 PolarHBondContact N-O 2.97Å; W57-I70 PolarHBondContact O-N 2.94Å; W57-I70 VanDerWaalsContact O-N 3.13Å; W57-G88 WeakPolarHBondContact CZ2-O 3.47Å; W57-G88 PolarHBondContact NE1-O 2.87Å; W57-L90 HydrophobicContact CB-CD1 4.37Å; W57-L90 HydrophobicContact CB-CD2 4.18Å; W57-L90 HydrophobicContact CD2-CB 3.91Å; W57-L90 HydrophobicContact CD2-CD2 3.9Å; W57-L90 HydrophobicContact CD2-CG 4.38Å; W57-L90 HydrophobicContact CE3-CD2 4.08Å; W57-L90 HydrophobicContact CG-CB 4.18Å; W57-L90 HydrophobicContact CG-CD1 4.08Å; W57-L90 HydrophobicContact CG-CD2 3.97Å; W57-L90 HydrophobicContact CG-CG 4.33Å; W57-L90 HydrophobicContact CZ2-CB 3.89Å; W57-Y104 CarbonylContact C-O 3.59Å; W57-Y104 WeakPolarHBondContact CA-O 3.2Å; W57-C105 HydrophobicContact CD2-CB 4.02Å; W57-C105 HydrophobicContact CE3-CB 4.04Å; W57-C105 HydrophobicContact CH2-CB 3.73Å; W57-C105 HydrophobicContact CZ2-CB 3.68Å; W57-C105 HydrophobicContact CZ3-CB 3.9Å; W57-V118 HydrophobicContact CH2-CG2 4.14Å; W57-V118 HydrophobicContact CZ3-CB 4.43Å; W57-V118 HydrophobicContact CZ3-CG2 4.39Å |
| 58 | K | 95.4 | Very high | 84.6 | Confident | 46 Ų | 46 | 73.9 Ų | 73.9 | 20% | 0.2 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 141.1 | 176.3 | -61.2 | 172.5 | -174.9 | 168.5 | 0 | 109.5 | T66 T67 Y103 Y104 | K58-T66 HydrophobicContact CB-CG2 3.81Å; K58-T66 HydrophobicContact CD-CG2 4.13Å; K58-T66 HydrophobicContact CG-CG2 4.32Å; K58-T67 CarbonylContact C-O 3.57Å; K58-T67 VanDerWaalsContact CA-O 3.29Å; K58-T67 WeakPolarHBondContact CA-O 3.38Å; K58-Y103 CarbonylContact O-C 3.59Å; K58-Y103 VanDerWaalsContact O-CA 3.27Å; K58-Y103 WeakPolarHBondContact O-CA 3.39Å; K58-Y104 PolarHBondContact N-O 2.86Å; K58-Y104 PolarHBondContact O-N 2.68Å |
| 59 | F | 96 | Very high | 85.8 | Confident | 18 Ų | 18 | 70.2 Ų | 70.2 | 8% | 0.079 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 129.7 | 172 | 170.5 | -110.7 | 0 | 0 | 0 | 108.8 | D61 T66 T67 V69 Y103 | F59-D61 HydrophobicContact CE1-CB 3.83Å; F59-D61 HydrophobicContact CZ-CB 4.22Å; F59-T66 CarbonylContact O-C 3.59Å; F59-T66 VanDerWaalsContact O-CA 3.29Å; F59-T66 WeakPolarHBondContact O-CA 3.26Å; F59-T67 PolarHBondContact N-O 2.88Å; F59-T67 PolarHBondContact O-N 2.85Å; F59-V69 HydrophobicContact CB-CG2 3.54Å; F59-Y103 HydrophobicContact CB-CD1 4.17Å; F59-Y103 HydrophobicContact CB-CE1 3.95Å; F59-Y103 HydrophobicContact CD2-CD1 4.21Å; F59-Y103 HydrophobicContact CD2-CD2 4.11Å; F59-Y103 AromaticContact CD2-CE1 3.74Å; F59-Y103 HydrophobicContact CD2-CE1 3.74Å; F59-Y103 AromaticContact CD2-CE2 3.6Å; F59-Y103 HydrophobicContact CD2-CE2 3.6Å; F59-Y103 HydrophobicContact CD2-CG 4.38Å; F59-Y103 AromaticContact CD2-CZ 3.4Å; F59-Y103 VanDerWaalsContact CD2-CZ 3.4Å; F59-Y103 AromaticContact CE2-CE2 3.9Å; F59-Y103 HydrophobicContact CE2-CE2 3.9Å; F59-Y103 AromaticContact CE2-CZ 3.92Å; F59-Y103 HydrophobicContact CG-CE1 4.21Å |
| 60 | K | 92.8 | Very high | 87.1 | Confident | 73 Ų | 73 | 62.1 Ų | 62.1 | 32% | 0.317 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 117.7 | 173.3 | -168.8 | 178.5 | -178.3 | 179.9 | 0 | 108.9 | S65 E102 Y104 | K60-S65 WeakPolarHBondContact CA-O 3.34Å; K60-E102 PolarHBondContact N-O 2.77Å; K60-E102 PolarHBondContact O-N 3.03Å; K60-Y104 HydrophobicContact CB-CD2 4.21Å; K60-Y104 HydrophobicContact CB-CE2 3.68Å; K60-Y104 HydrophobicContact CD-CE2 3.95Å; K60-Y104 HydrophobicContact CG-CE2 4.49Å |
| 61 | D | 84.8 | Confident | 88.5 | Confident | 52 Ų | 52 | 64.1 Ų | 64.1 | 28% | 0.278 | 34% | 0.335 | S | S | . | . | trans | -75.3 | 173.3 | 177.4 | 77.2 | 8.5 | 0 | 0 | 0 | 111.9 | F59 K63 G64 S65 | F59-D61 HydrophobicContact CE1-CB 3.83Å; F59-D61 HydrophobicContact CZ-CB 4.22Å; D61-K63 PolarHBondContact O-N 2.99Å; D61-K63 VanDerWaalsContact OD1-C 3.3Å; D61-K63 VanDerWaalsContact OD1-CA 3.28Å; D61-K63 WeakPolarHBondContact OD1-CA 3.36Å; D61-K63 WeakPolarHBondContact OD1-CB 3.38Å; D61-K63 PolarHBondContact OD1-N 3.08Å; D61-G64 PolarHBondContact O-N 2.95Å; D61-G64 PolarHBondContact OD1-N 3.44Å; D61-S65 PolarHBondContact N-O 3.08Å; D61-S65 PolarHBondContact OD1-N 3.32Å; D61-S65 WeakPolarHBondContact OD2-CB 3.45Å | ||
| 62 | M | 77.6 | Confident | 89.5 | Confident | 174 Ų | 174 | 67 Ų | 67 | 86% | 0.857 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -16.8 | 178.4 | -63.8 | -170.5 | -65.4 | 0 | 0 | 114 | G64 | M62-G64 VanDerWaalsContact C-N 3.32Š|
| 63 | K | 84.3 | Confident | 90.2 | Very high | 193 Ų | 193 | 61.4 Ų | 61.4 | 84% | 0.839 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | -3.7 | 175.3 | -61.7 | 180 | 179.9 | 178.9 | 0 | 111.9 | D61 | D61-K63 PolarHBondContact O-N 2.99Å; D61-K63 VanDerWaalsContact OD1-C 3.3Å; D61-K63 VanDerWaalsContact OD1-CA 3.28Å; D61-K63 WeakPolarHBondContact OD1-CA 3.36Å; D61-K63 WeakPolarHBondContact OD1-CB 3.38Å; D61-K63 PolarHBondContact OD1-N 3.08Å |
| 64 | G | 84.8 | Confident | 90.7 | Very high | 38 Ų | 38 | 67.1 Ų | 67.1 | 39% | 0.392 | 35% | 0.345 | S | S | . | . | trans | 84.3 | 7.9 | -178 | 0 | 0 | 0 | 0 | 0 | 114.5 | D61 M62 | D61-G64 PolarHBondContact O-N 2.95Å; D61-G64 PolarHBondContact OD1-N 3.44Å; M62-G64 VanDerWaalsContact C-N 3.32Å | ||
| 65 | S | 89.1 | Confident | 91.1 | Very high | 63 Ų | 63 | 63.5 Ų | 63.5 | 44% | 0.441 | 34% | 0.337 | S | S | . | . | trans | -73.6 | 129.8 | 174 | -168.8 | 0 | 0 | 0 | 0 | 110.1 | K60 D61 | K60-S65 WeakPolarHBondContact CA-O 3.34Å; D61-S65 PolarHBondContact N-O 3.08Å; D61-S65 PolarHBondContact OD1-N 3.32Å; D61-S65 WeakPolarHBondContact OD2-CB 3.45Å | ||
| 66 | T | 91.8 | Very high | 91.4 | Very high | 78 Ų | 78 | 64.9 Ų | 64.9 | 48% | 0.479 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 128.6 | -179.2 | -55.7 | 0 | 0 | 0 | 0 | 110.3 | K58 F59 | K58-T66 HydrophobicContact CB-CG2 3.81Å; K58-T66 HydrophobicContact CD-CG2 4.13Å; K58-T66 HydrophobicContact CG-CG2 4.32Å; F59-T66 CarbonylContact O-C 3.59Å; F59-T66 VanDerWaalsContact O-CA 3.29Å; F59-T66 WeakPolarHBondContact O-CA 3.26Å |
| 67 | T | 93.8 | Very high | 91.3 | Very high | 61 Ų | 61 | 69.7 Ų | 69.7 | 37% | 0.374 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 148.9 | 174.9 | 57.1 | 0 | 0 | 0 | 0 | 110.1 | K58 F59 | K58-T67 CarbonylContact C-O 3.57Å; K58-T67 VanDerWaalsContact CA-O 3.29Å; K58-T67 WeakPolarHBondContact CA-O 3.38Å; F59-T67 PolarHBondContact N-O 2.88Å; F59-T67 PolarHBondContact O-N 2.85Å |
| 68 | H | 94.9 | Very high | 91.1 | Very high | 66 Ų | 66 | 74.2 Ų | 74.2 | 31% | 0.306 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 134.3 | 172.4 | -74.6 | -91.8 | 0 | 0 | 0 | 109.9 | E56 F71 T76 | E56-H68 IonicContact OE2-CE1 3.28Å; E56-H68 IonicContact OE2-ND1 3.74Å; H68-F71 HydrophobicContact CB-CB 3.98Å; H68-F71 AromaticContact CE1-CD2 3.7Å; H68-F71 AromaticContact CG-CD2 3.98Å; H68-F71 AromaticContact ND1-CD2 3.6Å; H68-T76 HydrophobicContact CB-CG2 3.92Å; H68-T76 PolarHBondContact O-OG1 3.37Å |
| 69 | V | 96.3 | Very high | 91 | Very high | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | -45.6 | 170 | -176.3 | 0 | 0 | 0 | 0 | 109.5 | W57 F59 P75 T76 Y79 V83 L90 Y103 | W57-V69 HydrophobicContact CB-CB 4.1Å; W57-V69 PolarHBondContact O-N 2.99Å; F59-V69 HydrophobicContact CB-CG2 3.54Å; V69-P75 VanDerWaalsContact O-CA 3.3Å; V69-P75 WeakPolarHBondContact O-CA 3.44Å; V69-T76 PolarHBondContact O-N 2.71Å; V69-T76 PolarHBondContact O-OG1 2.72Å; V69-Y79 HydrophobicContact CB-CD2 4.24Å; V69-Y79 HydrophobicContact CB-CE2 4.28Å; V69-Y79 HydrophobicContact CG1-CD1 4.04Å; V69-Y79 HydrophobicContact CG1-CD2 3.9Å; V69-Y79 HydrophobicContact CG1-CE1 4.38Å; V69-Y79 HydrophobicContact CG1-CE2 4.24Å; V69-Y79 HydrophobicContact CG1-CG 3.79Å; V69-Y79 HydrophobicContact CG2-CD2 4.36Å; V69-Y79 HydrophobicContact CG2-CE2 3.9Å; V69-V83 HydrophobicContact CG1-CG1 4.17Å; V69-L90 HydrophobicContact CG1-CD1 4.24Å; V69-L90 HydrophobicContact CG1-CD2 3.93Å; V69-Y103 HydrophobicContact CG2-CD1 4.02Å; V69-Y103 HydrophobicContact CG2-CE1 3.84Å |
| 70 | I | 95.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 124 | 168.6 | -56.6 | -62.3 | 0 | 0 | 0 | 108.1 | W57 K74 P75 V83 K85 L90 | W57-I70 HydrophobicContact CB-CB 4.07Å; W57-I70 HydrophobicContact CB-CG1 4.03Å; W57-I70 HydrophobicContact CG-CG1 4.39Å; W57-I70 PolarHBondContact N-O 2.97Å; W57-I70 PolarHBondContact O-N 2.94Å; W57-I70 VanDerWaalsContact O-N 3.13Å; I70-K74 WeakPolarHBondContact CA-O 3.49Å; I70-P75 HydrophobicContact CD1-CB 3.79Å; I70-P75 HydrophobicContact CD1-CG 3.83Å; I70-V83 HydrophobicContact CD1-CG1 4.13Å; I70-K85 HydrophobicContact CD1-CB 4.21Å; I70-K85 HydrophobicContact CG1-CB 4.38Å; I70-K85 HydrophobicContact CG2-CD 3.96Å; I70-L90 HydrophobicContact CD1-CD1 3.74Å; I70-L90 HydrophobicContact CG1-CD1 3.4Å; I70-L90 VanDerWaalsContact CG1-CD1 3.4Å |
| 71 | F | 92.2 | Very high | 90.9 | Very high | 107 Ų | 107 | 78.5 Ų | 78.5 | 47% | 0.469 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 136 | 174.8 | -174 | -109 | 0 | 0 | 0 | 109.3 | H68 G73 K74 T76 | H68-F71 HydrophobicContact CB-CB 3.98Å; H68-F71 AromaticContact CE1-CD2 3.7Å; H68-F71 AromaticContact CG-CD2 3.98Å; H68-F71 AromaticContact ND1-CD2 3.6Å; F71-G73 PolarHBondContact O-N 3.45Å; F71-G73 VanDerWaalsContact O-N 3.16Å; F71-K74 PolarHBondContact N-O 2.86Å; F71-K74 PolarHBondContact O-N 2.82Å; F71-T76 HydrophobicContact CB-CG2 3.74Å |
| 72 | D | 88.7 | Confident | 91.3 | Very high | 97 Ų | 97 | 78.4 Ų | 78.4 | 52% | 0.519 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.1 | 40.8 | -176.8 | -162 | 31.9 | 0 | 0 | 0 | 113.5 | R54 K74 | R54-D72 IonicContact CZ-OD1 3.85Å; R54-D72 IonicContact NH1-OD1 3.21Å; R54-D72 PolarHBondContact NH1-OD1 3.14Å; R54-D72 IonicContact NH2-OD1 3.56Å; D72-K74 PolarHBondContact O-N 3.1Å |
| 73 | G | 87.8 | Confident | 92.3 | Very high | 42 Ų | 42 | 70.3 Ų | 70.3 | 43% | 0.433 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | -1.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | F71 | F71-G73 PolarHBondContact O-N 3.45Å; F71-G73 VanDerWaalsContact O-N 3.16Å |
| 74 | K | 92.8 | Very high | 92.8 | Very high | 153 Ų | 153 | 64.2 Ų | 64.2 | 67% | 0.665 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 150 | -178.2 | -65.3 | 178.7 | -176.5 | 173.2 | 0 | 112 | I70 F71 D72 | I70-K74 WeakPolarHBondContact CA-O 3.49Å; F71-K74 PolarHBondContact N-O 2.86Å; F71-K74 PolarHBondContact O-N 2.82Å; D72-K74 PolarHBondContact O-N 3.1Å |
| 75 | P | 95.8 | Very high | 93.3 | Very high | 44 Ų | 44 | 65.5 Ų | 65.5 | 29% | 0.286 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 137.3 | 172.1 | -8.6 | 22.7 | 0 | 0 | 0 | 111.2 | V69 I70 V83 | V69-P75 VanDerWaalsContact O-CA 3.3Å; V69-P75 WeakPolarHBondContact O-CA 3.44Å; I70-P75 HydrophobicContact CD1-CB 3.79Å; I70-P75 HydrophobicContact CD1-CG 3.83Å; P75-V83 VanDerWaalsContact CG-O 3.25Å; P75-V83 WeakPolarHBondContact CG-O 2.96Å |
| 76 | T | 95.5 | Very high | 93.3 | Very high | 33 Ų | 33 | 67.5 Ų | 67.5 | 20% | 0.202 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -81 | 164.1 | 175.2 | 60.5 | 0 | 0 | 0 | 0 | 110.5 | H68 V69 F71 Y79 A80 | H68-T76 HydrophobicContact CB-CG2 3.92Å; H68-T76 PolarHBondContact O-OG1 3.37Å; V69-T76 PolarHBondContact O-N 2.71Å; V69-T76 PolarHBondContact O-OG1 2.72Å; F71-T76 HydrophobicContact CB-CG2 3.74Å; T76-Y79 CarbonylContact O-C 3.53Å; T76-Y79 WeakPolarHBondContact O-CA 3.39Å; T76-Y79 WeakPolarHBondContact O-CB 3.36Å; T76-Y79 PolarHBondContact O-N 3.33Å; T76-A80 PolarHBondContact O-N 3.43Å |
| 77 | T | 91.7 | Very high | 93 | Very high | 125 Ų | 125 | 70.9 Ų | 70.9 | 77% | 0.767 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | 128 | 164 | 50.4 | 0 | 0 | 0 | 0 | 108.8 | ||
| 78 | P | 90.4 | Very high | 92.8 | Very high | 95 Ų | 95 | 68 Ų | 68 | 62% | 0.617 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -102.3 | 21.9 | 21 | 40 | -38.6 | 0 | 0 | 0 | 116.2 | R82 | P78-R82 PolarHBondContact O-NE 2.84Š|
| 79 | Y | 94.6 | Very high | 92.7 | Very high | 13 Ų | 13 | 66 Ų | 66 | 5% | 0.051 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -14.9 | -174.4 | -56.9 | -77.9 | 0 | 0 | 0 | 114.4 | V69 T76 D81 R82 V83 F92 | V69-Y79 HydrophobicContact CB-CD2 4.24Å; V69-Y79 HydrophobicContact CB-CE2 4.28Å; V69-Y79 HydrophobicContact CG1-CD1 4.04Å; V69-Y79 HydrophobicContact CG1-CD2 3.9Å; V69-Y79 HydrophobicContact CG1-CE1 4.38Å; V69-Y79 HydrophobicContact CG1-CE2 4.24Å; V69-Y79 HydrophobicContact CG1-CG 3.79Å; V69-Y79 HydrophobicContact CG2-CD2 4.36Å; V69-Y79 HydrophobicContact CG2-CE2 3.9Å; T76-Y79 CarbonylContact O-C 3.53Å; T76-Y79 WeakPolarHBondContact O-CA 3.39Å; T76-Y79 WeakPolarHBondContact O-CB 3.36Å; T76-Y79 PolarHBondContact O-N 3.33Å; Y79-D81 VanDerWaalsContact C-N 3.27Å; Y79-D81 PolarHBondContact O-N 2.74Å; Y79-R82 VanDerWaalsContact CD1-NH2 3.27Å; Y79-R82 VanDerWaalsContact CE1-NH2 3.29Å; Y79-R82 PolarHBondContact O-N 2.83Å; Y79-V83 HydrophobicContact CD1-CG2 3.93Å; Y79-V83 HydrophobicContact CG-CG2 4.27Å; Y79-V83 WeakPolarHBondContact O-CB 3.45Å; Y79-V83 PolarHBondContact O-N 2.86Å; Y79-F92 HydrophobicContact CD1-CE1 4.08Å; Y79-F92 HydrophobicContact CE1-CE1 4.23Å |
| 80 | A | 92.2 | Very high | 92.8 | Very high | 50 Ų | 50 | 66 Ų | 66 | 41% | 0.413 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -40.1 | -46 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | T76 | T76-A80 PolarHBondContact O-N 3.43Š|
| 81 | D | 93.4 | Very high | 92.9 | Very high | 165 Ų | 165 | 70.5 Ų | 70.5 | 88% | 0.882 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -8.4 | -172 | -55.4 | -41.4 | 0 | 0 | 0 | 114.3 | Y79 | Y79-D81 VanDerWaalsContact C-N 3.27Å; Y79-D81 PolarHBondContact O-N 2.74Å |
| 82 | R | 94.8 | Very high | 93.1 | Very high | 50 Ų | 50 | 65.5 Ų | 65.5 | 19% | 0.189 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -137.8 | -1.6 | -166.8 | 70.1 | -165.8 | -179.3 | 91.6 | -0.1 | 115.1 | P78 Y79 F92 S93 D99 | P78-R82 PolarHBondContact O-NE 2.84Å; Y79-R82 VanDerWaalsContact CD1-NH2 3.27Å; Y79-R82 VanDerWaalsContact CE1-NH2 3.29Å; Y79-R82 PolarHBondContact O-N 2.83Å; R82-F92 CarbonylContact O-C 3.55Å; R82-F92 WeakPolarHBondContact O-CA 3.27Å; R82-S93 WeakPolarHBondContact CA-OG 3.38Å; R82-S93 PolarHBondContact O-N 2.81Å; R82-S93 PolarHBondContact O-OG 2.96Å; R82-D99 IonicContact CZ-OD1 2.72Å; R82-D99 VanDerWaalsContact CZ-OD1 3.28Å; R82-D99 IonicContact CZ-OD2 3.88Å; R82-D99 IonicContact NH1-OD1 2.69Å; R82-D99 PolarHBondContact NH1-OD1 2.83Å; R82-D99 IonicContact NH1-OD2 3.72Å; R82-D99 PolarHBondContact NH1-OD2 2.81Å; R82-D99 IonicContact NH2-OD1 3.63Å; R82-D99 PolarHBondContact NH2-OD1 2.99Å; R82-D99 IonicContact NH2-OD2 2.98Å |
| 83 | V | 97 | Very high | 93.5 | Very high | 4 Ų | 4 | 64.2 Ų | 64.2 | 2% | 0.024 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 136.4 | 179.9 | 176.2 | 0 | 0 | 0 | 0 | 110.4 | V69 I70 P75 Y79 L90 R91 F92 | V69-V83 HydrophobicContact CG1-CG1 4.17Å; I70-V83 HydrophobicContact CD1-CG1 4.13Å; P75-V83 VanDerWaalsContact CG-O 3.25Å; P75-V83 WeakPolarHBondContact CG-O 2.96Å; Y79-V83 HydrophobicContact CD1-CG2 3.93Å; Y79-V83 HydrophobicContact CG-CG2 4.27Å; Y79-V83 WeakPolarHBondContact O-CB 3.45Å; Y79-V83 PolarHBondContact O-N 2.86Å; V83-L90 HydrophobicContact CG1-CD1 3.27Å; V83-L90 HydrophobicContact CG1-CD2 4.5Å; V83-L90 HydrophobicContact CG1-CG 3.84Å; V83-R91 CarbonylContact C-O 3.6Å; V83-R91 VanDerWaalsContact CA-O 3.31Å; V83-R91 WeakPolarHBondContact CA-O 3.25Å; V83-F92 HydrophobicContact CG2-CD1 3.52Å; V83-F92 HydrophobicContact CG2-CE1 3.47Å; V83-F92 VanDerWaalsContact CG2-CE1 3.47Å; V83-F92 HydrophobicContact CG2-CG 4.1Å; V83-F92 HydrophobicContact CG2-CZ 4.02Å |
| 84 | T | 95.7 | Very high | 93.9 | Very high | 64 Ų | 64 | 68.2 Ų | 68.2 | 39% | 0.393 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 146.2 | 177.2 | 47.3 | 0 | 0 | 0 | 0 | 110 | F86 R91 | T84-F86 VanDerWaalsContact OG1-CE2 3.23Å; T84-F86 WeakPolarHBondContact OG1-CE2 3.26Å; T84-R91 PolarHBondContact N-O 2.91Å; T84-R91 PolarHBondContact O-N 2.92Å; T84-R91 PolarHBondContact OG1-O 2.97Å |
| 85 | K | 94.1 | Very high | 94.1 | Very high | 65 Ų | 65 | 61 Ų | 61 | 28% | 0.283 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 133.3 | 177 | 177.6 | -172.6 | 162.4 | -171.3 | 0 | 109.7 | V55 I70 M89 | V55-K85 PolarHBondContact O-NZ 3.38Å; I70-K85 HydrophobicContact CD1-CB 4.21Å; I70-K85 HydrophobicContact CG1-CB 4.38Å; I70-K85 HydrophobicContact CG2-CD 3.96Å; K85-M89 CarbonylContact C-O 3.47Å; K85-M89 WeakPolarHBondContact CA-O 3Å |
| 86 | F | 90.6 | Very high | 94 | Very high | 105 Ų | 105 | 61 Ų | 61 | 46% | 0.461 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 108.6 | 175 | -58.2 | -82.8 | 0 | 0 | 0 | 110.4 | T84 G88 M89 R91 | T84-F86 VanDerWaalsContact OG1-CE2 3.23Å; T84-F86 WeakPolarHBondContact OG1-CE2 3.26Å; F86-G88 PolarHBondContact O-N 2.91Å; F86-M89 HydrophobicContact CB-CE 4.05Å; F86-M89 HydrophobicContact CD2-CE 3.6Å; F86-M89 HydrophobicContact CE2-CE 4.46Å; F86-M89 HydrophobicContact CG-CE 4.17Å; F86-M89 PolarHBondContact N-O 2.81Å; F86-M89 WeakPolarHBondContact O-CB 3.37Å; F86-M89 PolarHBondContact O-N 2.85Å; F86-R91 HydrophobicContact CD2-CB 4.4Å; F86-R91 HydrophobicContact CE2-CB 4.24Å |
| 87 | D | 84.8 | Confident | 93.8 | Very high | 150 Ų | 150 | 64 Ų | 64 | 80% | 0.802 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 16.2 | 173.7 | -159 | 32.8 | 0 | 0 | 0 | 116.5 | H45 | H45-D87 PolarHBondContact CE1-O 3.47Š|
| 88 | G | 89.1 | Confident | 93.7 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 122.5 | -30.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | C43 W57 F86 | C43-G88 WeakPolarHBondContact CB-O 3.37Å; W57-G88 WeakPolarHBondContact CZ2-O 3.47Å; W57-G88 PolarHBondContact NE1-O 2.87Å; F86-G88 PolarHBondContact O-N 2.91Å |
| 89 | M | 94.4 | Very high | 93.9 | Very high | 24 Ų | 24 | 62.2 Ų | 62.2 | 12% | 0.118 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 138.5 | 172.9 | -174.7 | -176.4 | 70.2 | 0 | 0 | 111.3 | D40 L41 Y42 K85 F86 R91 | D40-M89 HydrophobicContact CB-SD 4.06Å; L41-M89 WeakPolarHBondContact O-CA 3.28Å; L41-M89 WeakPolarHBondContact O-CG 3.29Å; Y42-M89 HydrophobicContact CD1-CB 4.37Å; Y42-M89 HydrophobicContact CD1-CG 4Å; Y42-M89 HydrophobicContact CD1-SD 3.92Å; Y42-M89 HydrophobicContact CE1-CG 4.1Å; Y42-M89 HydrophobicContact CE1-SD 3.38Å; Y42-M89 WeakPolarHBondContact CE1-SD 3.37Å; K85-M89 CarbonylContact C-O 3.47Å; K85-M89 WeakPolarHBondContact CA-O 3Å; F86-M89 HydrophobicContact CB-CE 4.05Å; F86-M89 HydrophobicContact CD2-CE 3.6Å; F86-M89 HydrophobicContact CE2-CE 4.46Å; F86-M89 HydrophobicContact CG-CE 4.17Å; F86-M89 PolarHBondContact N-O 2.81Å; F86-M89 WeakPolarHBondContact O-CB 3.37Å; F86-M89 PolarHBondContact O-N 2.85Å; M89-R91 HydrophobicContact CE-CB 4.28Å |
| 90 | L | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 121 | 170.4 | -170.5 | 73.8 | 0 | 0 | 0 | 109.4 | L41 W57 V69 I70 V83 F92 Y103 | L41-L90 HydrophobicContact CB-CB 4.28Å; L41-L90 HydrophobicContact CD2-CD2 4.46Å; L41-L90 PolarHBondContact N-O 2.02Å; L41-L90 PolarHBondContact O-N 2.78Å; W57-L90 HydrophobicContact CB-CD1 4.37Å; W57-L90 HydrophobicContact CB-CD2 4.18Å; W57-L90 HydrophobicContact CD2-CB 3.91Å; W57-L90 HydrophobicContact CD2-CD2 3.9Å; W57-L90 HydrophobicContact CD2-CG 4.38Å; W57-L90 HydrophobicContact CE3-CD2 4.08Å; W57-L90 HydrophobicContact CG-CB 4.18Å; W57-L90 HydrophobicContact CG-CD1 4.08Å; W57-L90 HydrophobicContact CG-CD2 3.97Å; W57-L90 HydrophobicContact CG-CG 4.33Å; W57-L90 HydrophobicContact CZ2-CB 3.89Å; V69-L90 HydrophobicContact CG1-CD1 4.24Å; V69-L90 HydrophobicContact CG1-CD2 3.93Å; I70-L90 HydrophobicContact CD1-CD1 3.74Å; I70-L90 HydrophobicContact CG1-CD1 3.4Å; I70-L90 VanDerWaalsContact CG1-CD1 3.4Å; V83-L90 HydrophobicContact CG1-CD1 3.27Å; V83-L90 HydrophobicContact CG1-CD2 4.5Å; V83-L90 HydrophobicContact CG1-CG 3.84Å; L90-F92 HydrophobicContact CD2-CE2 3.81Å; L90-F92 HydrophobicContact CD2-CZ 4.32Å; L90-F92 HydrophobicContact CG-CE2 4.31Å; L90-Y103 HydrophobicContact CD2-CD1 4.18Å |
| 91 | R | 97.4 | Very high | 93.8 | Very high | 95 Ų | 95 | 61.7 Ų | 61.7 | 36% | 0.358 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 120.9 | -179.6 | 170.8 | 166.2 | -68 | 163.2 | 0.1 | 111 | D40 V83 T84 F86 M89 | D40-R91 WeakPolarHBondContact OD1-CB 3.27Å; D40-R91 WeakPolarHBondContact OD1-CG 3.42Å; D40-R91 IonicContact OD1-CZ 3.5Å; D40-R91 IonicContact OD1-NE 2.71Å; D40-R91 PolarHBondContact OD1-NE 2.97Å; D40-R91 IonicContact OD1-NH2 3.45Å; D40-R91 IonicContact OD2-CZ 2.68Å; D40-R91 IonicContact OD2-NE 3.58Å; D40-R91 PolarHBondContact OD2-NE 2.85Å; D40-R91 IonicContact OD2-NH2 3.88Å; D40-R91 PolarHBondContact OD2-NH2 2.9Å; V83-R91 CarbonylContact C-O 3.6Å; V83-R91 VanDerWaalsContact CA-O 3.31Å; V83-R91 WeakPolarHBondContact CA-O 3.25Å; T84-R91 PolarHBondContact N-O 2.91Å; T84-R91 PolarHBondContact O-N 2.92Å; T84-R91 PolarHBondContact OG1-O 2.97Å; F86-R91 HydrophobicContact CD2-CB 4.4Å; F86-R91 HydrophobicContact CE2-CB 4.24Å; M89-R91 HydrophobicContact CE-CB 4.28Å |
| 92 | F | 98.1 | Very high | 94 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 0% | 0.004 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 127.7 | 165.3 | -71.4 | -98.1 | 0 | 0 | 0 | 109.3 | G38 A39 L41 Y79 R82 V83 L90 V95 D99 Y103 L120 | G38-F92 WeakPolarHBondContact CA-O 3.23Å; A39-F92 HydrophobicContact CB-CB 4.38Å; A39-F92 PolarHBondContact N-O 3.01Å; A39-F92 VanDerWaalsContact N-O 3.1Å; A39-F92 PolarHBondContact O-N 2.82Å; L41-F92 HydrophobicContact CD1-CD2 4Å; L41-F92 HydrophobicContact CD1-CE2 4.05Å; Y79-F92 HydrophobicContact CD1-CE1 4.08Å; Y79-F92 HydrophobicContact CE1-CE1 4.23Å; R82-F92 CarbonylContact O-C 3.55Å; R82-F92 WeakPolarHBondContact O-CA 3.27Å; V83-F92 HydrophobicContact CG2-CD1 3.52Å; V83-F92 HydrophobicContact CG2-CE1 3.47Å; V83-F92 VanDerWaalsContact CG2-CE1 3.47Å; V83-F92 HydrophobicContact CG2-CG 4.1Å; V83-F92 HydrophobicContact CG2-CZ 4.02Å; L90-F92 HydrophobicContact CD2-CE2 3.81Å; L90-F92 HydrophobicContact CD2-CZ 4.32Å; L90-F92 HydrophobicContact CG-CE2 4.31Å; F92-V95 HydrophobicContact CB-CG1 3.66Å; F92-V95 HydrophobicContact CD1-CG1 4.23Å; F92-V95 HydrophobicContact CD2-CG1 4.5Å; F92-V95 HydrophobicContact CG-CG1 3.9Å; F92-D99 HydrophobicContact CE1-CB 4.36Å; F92-Y103 HydrophobicContact CE2-CE1 4.13Å; F92-Y103 AromaticContact CZ-CE1 3.68Å; F92-Y103 HydrophobicContact CZ-CE1 3.68Å; F92-Y103 AromaticContact CZ-CZ 3.79Å; F92-L120 HydrophobicContact CE2-CD2 4.27Å |
| 93 | S | 97 | Very high | 94.1 | Very high | 71 Ų | 71 | 54.2 Ų | 54.2 | 50% | 0.497 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -71.5 | -37.4 | 170.3 | 63.2 | 0 | 0 | 0 | 0 | 111.4 | R82 | R82-S93 WeakPolarHBondContact CA-OG 3.38Å; R82-S93 PolarHBondContact O-N 2.81Å; R82-S93 PolarHBondContact O-OG 2.96Å |
| 94 | K | 96.1 | Very high | 94 | Very high | 126 Ų | 126 | 55.9 Ų | 55.9 | 55% | 0.548 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -146.3 | 124.8 | 174.3 | -63.8 | -174.9 | -178.5 | 176.1 | 0 | 110.3 | E37 | E37-K94 CarbonylContact O-C 3.58Å; E37-K94 VanDerWaalsContact O-CA 3.32Å; E37-K94 WeakPolarHBondContact O-CA 3.47Å |
| 95 | V | 96.1 | Very high | 94 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 25% | 0.25 | C | S | . | . | trans | -89.1 | 147 | 172.1 | -59.3 | 0 | 0 | 0 | 0 | 111.4 | A33 K34 N36 E37 A39 F92 L120 V122 | A33-V95 HydrophobicContact CB-CG2 3.93Å; K34-V95 VanDerWaalsContact O-CG2 3.23Å; K34-V95 WeakPolarHBondContact O-CG2 3.35Å; N36-V95 PolarHBondContact N-O 2.97Å; E37-V95 WeakPolarHBondContact O-CG2 3.43Å; E37-V95 PolarHBondContact O-N 2.84Å; A39-V95 HydrophobicContact CB-CG1 3.54Å; F92-V95 HydrophobicContact CB-CG1 3.66Å; F92-V95 HydrophobicContact CD1-CG1 4.23Å; F92-V95 HydrophobicContact CD2-CG1 4.5Å; F92-V95 HydrophobicContact CG-CG1 3.9Å; V95-L120 HydrophobicContact CG1-CD2 4.14Å; V95-V122 HydrophobicContact CB-CG2 4.03Å; V95-V122 HydrophobicContact CG2-CG1 3.93Å; V95-V122 HydrophobicContact CG2-CG2 4.04Å | ||
| 96 | T | 94.1 | Very high | 93.8 | Very high | 45 Ų | 45 | 49.9 Ų | 49.9 | 28% | 0.276 | 24% | 0.238 | S | C | . | . | trans | -122.7 | 163.1 | 175.4 | 68.4 | 0 | 0 | 0 | 0 | 109.2 | K98 D99 | T96-K98 PolarHBondContact O-N 2.96Å; T96-D99 PolarHBondContact N-OD2 2.98Å; T96-D99 WeakPolarHBondContact O-CB 3.18Å; T96-D99 PolarHBondContact O-N 3.43Å; T96-D99 PolarHBondContact OG1-OD2 2.97Å | ||
| 97 | R | 90.8 | Very high | 93.8 | Very high | 95 Ų | 95 | 44.9 Ų | 44.9 | 36% | 0.358 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -49.8 | -30.2 | 174.6 | -74.3 | 159 | -171 | -141.7 | 15.8 | 114.9 | E35 D99 N100 V124 Q151 | E35-R97 WeakPolarHBondContact OE1-CD 3.44Å; E35-R97 VanDerWaalsContact OE1-CG 3.26Å; E35-R97 WeakPolarHBondContact OE1-CG 3.43Å; E35-R97 PolarHBondContact OE1-N 3.4Å; E35-R97 IonicContact OE1-NE 3.98Å; E35-R97 PolarHBondContact OE1-NE 2.98Å; E35-R97 IonicContact OE2-CZ 3.58Å; E35-R97 IonicContact OE2-NE 2.72Å; E35-R97 PolarHBondContact OE2-NE 3.49Å; E35-R97 IonicContact OE2-NH2 3.37Å; R97-D99 PolarHBondContact O-N 3.1Å; R97-N100 WeakPolarHBondContact O-CB 3.36Å; R97-N100 PolarHBondContact O-N 2.74Å; R97-V124 HydrophobicContact CG-CG2 3.58Å; R97-V124 VanDerWaalsContact CZ-CG1 3.46Å; R97-Q151 PolarHBondContact NH1-O 2.92Å |
| 98 | K | 91 | Very high | 93.6 | Very high | 182 Ų | 182 | 39.4 Ų | 39.4 | 79% | 0.791 | 19% | 0.189 | S | C | * | . | G | 310 helix | trans | -70.9 | -19.3 | -179.5 | -65 | -178.5 | -179.7 | 176.9 | 0 | 113.2 | T96 N100 | T96-K98 PolarHBondContact O-N 2.96Å; K98-N100 VanDerWaalsContact C-N 3.26Å |
| 99 | D | 93.4 | Very high | 92.7 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -82.9 | -5.8 | -179.8 | -57.2 | -52.9 | 0 | 0 | 0 | 112.6 | R82 F92 T96 R97 G101 Y103 L120 V122 | R82-D99 IonicContact CZ-OD1 2.72Å; R82-D99 VanDerWaalsContact CZ-OD1 3.28Å; R82-D99 IonicContact CZ-OD2 3.88Å; R82-D99 IonicContact NH1-OD1 2.69Å; R82-D99 PolarHBondContact NH1-OD1 2.83Å; R82-D99 IonicContact NH1-OD2 3.72Å; R82-D99 PolarHBondContact NH1-OD2 2.81Å; R82-D99 IonicContact NH2-OD1 3.63Å; R82-D99 PolarHBondContact NH2-OD1 2.99Å; R82-D99 IonicContact NH2-OD2 2.98Å; F92-D99 HydrophobicContact CE1-CB 4.36Å; T96-D99 PolarHBondContact N-OD2 2.98Å; T96-D99 WeakPolarHBondContact O-CB 3.18Å; T96-D99 PolarHBondContact O-N 3.43Å; T96-D99 PolarHBondContact OG1-OD2 2.97Å; R97-D99 PolarHBondContact O-N 3.1Å; D99-G101 PolarHBondContact O-N 2.98Å; D99-Y103 WeakPolarHBondContact CA-OH 3.4Å; D99-Y103 WeakPolarHBondContact CB-OH 3.37Å; D99-Y103 VanDerWaalsContact O-CE2 3.23Å; D99-Y103 WeakPolarHBondContact O-CE2 3.48Å; D99-Y103 PolarHBondContact O-OH 2.91Å; D99-L120 HydrophobicContact CB-CD2 4.22Å; D99-V122 HydrophobicContact CB-CG2 4.36Å |
| 100 | N | 92.3 | Very high | 91 | Very high | 43 Ų | 43 | 44.9 Ų | 44.9 | 23% | 0.23 | 23% | 0.234 | C | C | . | . | trans | -67.6 | 116.8 | 179 | -174.8 | 92.4 | 0 | 0 | 0 | 111 | R97 K98 L120 T121 V122 | R97-N100 WeakPolarHBondContact O-CB 3.36Å; R97-N100 PolarHBondContact O-N 2.74Å; K98-N100 VanDerWaalsContact C-N 3.26Å; N100-L120 WeakPolarHBondContact CA-O 3.23Å; N100-T121 VanDerWaalsContact OD1-CA 3.3Å; N100-T121 WeakPolarHBondContact OD1-CA 3.4Å; N100-V122 HydrophobicContact CB-CB 4.31Å; N100-V122 HydrophobicContact CB-CG2 4.29Å; N100-V122 PolarHBondContact OD1-N 3.12Å | ||
| 101 | G | 93.4 | Very high | 88.8 | Confident | 10 Ų | 10 | 50.9 Ų | 50.9 | 10% | 0.103 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.4 | -160.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | D99 L120 | D99-G101 PolarHBondContact O-N 2.98Å; G101-L120 PolarHBondContact N-O 2.76Å; G101-L120 PolarHBondContact O-N 3.36Å |
| 102 | E | 96.3 | Very high | 86.9 | Confident | 58 Ų | 58 | 48.9 Ų | 48.9 | 27% | 0.271 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 129.3 | -177.5 | -61.4 | -170.6 | 136 | 0 | 0 | 110.3 | K60 Y104 K117 | K60-E102 PolarHBondContact N-O 2.77Å; K60-E102 PolarHBondContact O-N 3.03Å; E102-Y104 HydrophobicContact CB-CE2 3.79Å; E102-Y104 PolarHBondContact OE2-OH 3.28Å; E102-K117 HydrophobicContact CB-CD 4.37Å; E102-K117 HydrophobicContact CB-CG 4.45Å; E102-K117 HydrophobicContact CG-CD 4.33Å; E102-K117 WeakPolarHBondContact OE1-CD 3.48Å; E102-K117 IonicContact OE1-NZ 3Å; E102-K117 PolarHBondContact OE1-NZ 3.39Å |
| 103 | Y | 97.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 141 | 176.4 | -68.4 | -100.8 | 0 | 0 | 0 | 109.4 | L41 K58 F59 V69 L90 F92 D99 K117 V118 L120 | L41-Y103 HydrophobicContact CD2-CD1 4.11Å; L41-Y103 HydrophobicContact CD2-CD2 3.79Å; L41-Y103 HydrophobicContact CD2-CG 3.56Å; K58-Y103 CarbonylContact O-C 3.59Å; K58-Y103 VanDerWaalsContact O-CA 3.27Å; K58-Y103 WeakPolarHBondContact O-CA 3.39Å; F59-Y103 HydrophobicContact CB-CD1 4.17Å; F59-Y103 HydrophobicContact CB-CE1 3.95Å; F59-Y103 HydrophobicContact CD2-CD1 4.21Å; F59-Y103 HydrophobicContact CD2-CD2 4.11Å; F59-Y103 AromaticContact CD2-CE1 3.74Å; F59-Y103 HydrophobicContact CD2-CE1 3.74Å; F59-Y103 AromaticContact CD2-CE2 3.6Å; F59-Y103 HydrophobicContact CD2-CE2 3.6Å; F59-Y103 HydrophobicContact CD2-CG 4.38Å; F59-Y103 AromaticContact CD2-CZ 3.4Å; F59-Y103 VanDerWaalsContact CD2-CZ 3.4Å; F59-Y103 AromaticContact CE2-CE2 3.9Å; F59-Y103 HydrophobicContact CE2-CE2 3.9Å; F59-Y103 AromaticContact CE2-CZ 3.92Å; F59-Y103 HydrophobicContact CG-CE1 4.21Å; V69-Y103 HydrophobicContact CG2-CD1 4.02Å; V69-Y103 HydrophobicContact CG2-CE1 3.84Å; L90-Y103 HydrophobicContact CD2-CD1 4.18Å; F92-Y103 HydrophobicContact CE2-CE1 4.13Å; F92-Y103 AromaticContact CZ-CE1 3.68Å; F92-Y103 HydrophobicContact CZ-CE1 3.68Å; F92-Y103 AromaticContact CZ-CZ 3.79Å; D99-Y103 WeakPolarHBondContact CA-OH 3.4Å; D99-Y103 WeakPolarHBondContact CB-OH 3.37Å; D99-Y103 VanDerWaalsContact O-CE2 3.23Å; D99-Y103 WeakPolarHBondContact O-CE2 3.48Å; D99-Y103 PolarHBondContact O-OH 2.91Å; Y103-K117 CarbonylContact O-C 3.5Å; Y103-K117 WeakPolarHBondContact O-CA 3.28Å; Y103-V118 PolarHBondContact N-O 3.01Å; Y103-V118 PolarHBondContact O-N 2.68Å; Y103-L120 HydrophobicContact CD2-CB 3.93Å; Y103-L120 HydrophobicContact CE2-CB 3.71Å; Y103-L120 HydrophobicContact CE2-CD2 3.92Å; Y103-L120 HydrophobicContact CE2-CG 4.43Å |
| 104 | Y | 95.5 | Very high | 85.2 | Confident | 39 Ų | 39 | 51.4 Ų | 51.4 | 15% | 0.153 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 118.5 | -177.7 | -66.2 | -98 | 0 | 0 | 0 | 108.2 | W57 K58 K60 E102 E115 V116 K117 | W57-Y104 CarbonylContact C-O 3.59Å; W57-Y104 WeakPolarHBondContact CA-O 3.2Å; K58-Y104 PolarHBondContact N-O 2.86Å; K58-Y104 PolarHBondContact O-N 2.68Å; K60-Y104 HydrophobicContact CB-CD2 4.21Å; K60-Y104 HydrophobicContact CB-CE2 3.68Å; K60-Y104 HydrophobicContact CD-CE2 3.95Å; K60-Y104 HydrophobicContact CG-CE2 4.49Å; E102-Y104 HydrophobicContact CB-CE2 3.79Å; E102-Y104 PolarHBondContact OE2-OH 3.28Å; Y104-E115 HydrophobicContact CD1-CG 4.03Å; Y104-V116 WeakPolarHBondContact CA-O 3.25Å; Y104-K117 HydrophobicContact CD1-CB 4.12Å; Y104-K117 HydrophobicContact CD1-CG 4.28Å; Y104-K117 HydrophobicContact CE1-CB 3.9Å; Y104-K117 HydrophobicContact CE1-CD 3.92Å; Y104-K117 HydrophobicContact CE1-CG 3.83Å; Y104-K117 HydrophobicContact CE2-CG 4.42Å |
| 105 | C | 94.6 | Very high | 84.9 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 108.6 | 169.4 | 178.9 | 0 | 0 | 0 | 0 | 107.7 | C43 V55 W57 E115 V116 | C43-C105 HydrophobicContact CB-CB 3.5Å; C43-C105 WeakPolarHBondContact CB-SG 3.42Å; C43-C105 WeakPolarHBondContact SG-CB 3.36Å; C43-C105 CovalentContact SG-SG 2.02Å; C43-C105 PolarHBondContact SG-SG 2.79Å; V55-C105 WeakPolarHBondContact CG1-SG 3.48Å; W57-C105 HydrophobicContact CD2-CB 4.02Å; W57-C105 HydrophobicContact CE3-CB 4.04Å; W57-C105 HydrophobicContact CH2-CB 3.73Å; W57-C105 HydrophobicContact CZ2-CB 3.68Å; W57-C105 HydrophobicContact CZ3-CB 3.9Å; C105-E115 VanDerWaalsContact O-CA 3.27Å; C105-E115 WeakPolarHBondContact O-CA 3.5Å; C105-V116 HydrophobicContact CB-CG1 3.9Å; C105-V116 PolarHBondContact N-O 3.36Å; C105-V116 PolarHBondContact O-N 2.85Å |
| 106 | A | 91.4 | Very high | 84.8 | Confident | 2 Ų | 2 | 50.7 Ų | 50.7 | 2% | 0.017 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 127.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109 | V55 E56 F113 | V55-A106 WeakPolarHBondContact CA-O 3.21Å; E56-A106 PolarHBondContact N-O 2.83Å; E56-A106 PolarHBondContact O-N 2.89Å; A106-F113 HydrophobicContact CB-CE2 3.58Å; A106-F113 HydrophobicContact CB-CZ 3.74Å |
| 107 | V | 89.3 | Confident | 84.9 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 114.5 | 176.6 | -171.7 | 0 | 0 | 0 | 0 | 108 | F22 V24 H45 A53 R54 V55 G114 | F22-V107 HydrophobicContact CD1-CG1 3.94Å; F22-V107 HydrophobicContact CE1-CG1 4.36Å; F22-V107 HydrophobicContact CG-CG1 4.49Å; V24-V107 HydrophobicContact CB-CG2 4.39Å; V24-V107 HydrophobicContact CG1-CG2 3.88Å; V24-V107 HydrophobicContact CG2-CB 3.6Å; V24-V107 HydrophobicContact CG2-CG2 3.53Å; H45-V107 HydrophobicContact CB-CG1 4.17Å; H45-V107 HydrophobicContact CB-CG2 3.93Å; A53-V107 HydrophobicContact CB-CG1 3.73Å; R54-V107 WeakPolarHBondContact O-CA 3.32Å; V55-V107 HydrophobicContact CG1-CG2 4.3Å; V55-V107 HydrophobicContact CG2-CG1 4.27Å; V55-V107 HydrophobicContact CG2-CG2 4.04Å; V107-G114 PolarHBondContact N-O 3.16Å; V107-G114 PolarHBondContact O-N 2.8Å |
| 108 | S | 81.8 | Confident | 85.3 | Confident | 35 Ų | 35 | 48.7 Ų | 48.7 | 25% | 0.245 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 140.1 | 178.9 | 56.1 | 0 | 0 | 0 | 0 | 111.4 | R54 | R54-S108 WeakPolarHBondContact CB-O 3.4Å; R54-S108 PolarHBondContact N-O 2.78Å; R54-S108 PolarHBondContact O-N 3.34Å |
| 109 | G | 69.6 | Low | 85.5 | Confident | 27 Ų | 27 | 44.9 Ų | 44.9 | 28% | 0.278 | 24% | 0.237 | S | C | . | . | trans | -119.8 | -162.2 | 163.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q111 N112 | G109-Q111 VanDerWaalsContact C-N 3.28Å; G109-Q111 PolarHBondContact O-N 3.19Å; G109-N112 PolarHBondContact N-O 2.85Å; G109-N112 VanDerWaalsContact N-O 3.08Å | ||
| 110 | S | 59 | Low | 85.6 | Confident | 112 Ų | 112 | 44.8 Ų | 44.8 | 78% | 0.783 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -66.8 | -22.9 | -177.1 | 50.3 | 0 | 0 | 0 | 0 | 114.5 | ||
| 111 | Q | 50.7 | Low | 85.8 | Confident | 127 Ų | 127 | 43.4 Ų | 43.4 | 59% | 0.593 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -141.2 | -8.4 | -174.8 | -65 | -169.7 | 98.4 | 0 | 0 | 115.7 | G109 | G109-Q111 VanDerWaalsContact C-N 3.28Å; G109-Q111 PolarHBondContact O-N 3.19Å |
| 112 | N | 56.4 | Low | 85.9 | Confident | 52 Ų | 52 | 43 Ų | 43 | 28% | 0.278 | 23% | 0.225 | S | C | . | . | trans | -138.4 | 152.4 | -176.8 | -78.9 | -44.7 | 0 | 0 | 0 | 113.2 | C20 F22 G109 | C20-N112 PolarHBondContact N-ND2 3.01Å; C20-N112 VanDerWaalsContact O-CB 3.25Å; C20-N112 WeakPolarHBondContact O-CB 3.48Å; C20-N112 PolarHBondContact O-ND2 3.15Å; F22-N112 HydrophobicContact CD2-CB 3.98Å; G109-N112 PolarHBondContact N-O 2.85Å; G109-N112 VanDerWaalsContact N-O 3.08Å | ||
| 113 | F | 75.3 | Confident | 85.9 | Confident | 116 Ų | 116 | 41.1 Ų | 41.1 | 51% | 0.509 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 123.7 | -177.1 | 177.5 | -94.6 | 0 | 0 | 0 | 110 | A106 E115 | A106-F113 HydrophobicContact CB-CE2 3.58Å; A106-F113 HydrophobicContact CB-CZ 3.74Å; F113-E115 HydrophobicContact CD1-CB 4.46Å; F113-E115 HydrophobicContact CE1-CB 3.58Å; F113-E115 HydrophobicContact CE1-CG 4.4Å; F113-E115 HydrophobicContact CZ-CB 3.88Å; F113-E115 HydrophobicContact CZ-CG 4.32Å |
| 114 | G | 84.6 | Confident | 85.7 | Confident | 10 Ų | 10 | 41.3 Ų | 41.3 | 10% | 0.103 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 144.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | V107 | V107-G114 PolarHBondContact N-O 3.16Å; V107-G114 PolarHBondContact O-N 2.8Å |
| 115 | E | 90.8 | Very high | 85.6 | Confident | 87 Ų | 87 | 43.1 Ų | 43.1 | 41% | 0.407 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 139.1 | 179 | -172.4 | 176.7 | -108.5 | 0 | 0 | 111.1 | Y104 C105 F113 | Y104-E115 HydrophobicContact CD1-CG 4.03Å; C105-E115 VanDerWaalsContact O-CA 3.27Å; C105-E115 WeakPolarHBondContact O-CA 3.5Å; F113-E115 HydrophobicContact CD1-CB 4.46Å; F113-E115 HydrophobicContact CE1-CB 3.58Å; F113-E115 HydrophobicContact CE1-CG 4.4Å; F113-E115 HydrophobicContact CZ-CB 3.88Å; F113-E115 HydrophobicContact CZ-CG 4.32Å |
| 116 | V | 94.3 | Very high | 85.6 | Confident | 24 Ų | 24 | 43.5 Ų | 43.5 | 15% | 0.145 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 144.7 | 172.2 | 71.9 | 0 | 0 | 0 | 0 | 110.8 | V24 T26 Y104 C105 | V24-V116 HydrophobicContact CG1-CB 4.02Å; V24-V116 HydrophobicContact CG1-CG1 3.67Å; T26-V116 HydrophobicContact CG2-CG2 3.53Å; Y104-V116 WeakPolarHBondContact CA-O 3.25Å; C105-V116 HydrophobicContact CB-CG1 3.9Å; C105-V116 PolarHBondContact N-O 3.36Å; C105-V116 PolarHBondContact O-N 2.85Å |
| 117 | K | 95.8 | Very high | 85.7 | Confident | 98 Ų | 98 | 45.8 Ų | 45.8 | 43% | 0.426 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 135.5 | 179.6 | -172.3 | 179.4 | 74.9 | 164.4 | 0 | 111.5 | E102 Y103 Y104 | E102-K117 HydrophobicContact CB-CD 4.37Å; E102-K117 HydrophobicContact CB-CG 4.45Å; E102-K117 HydrophobicContact CG-CD 4.33Å; E102-K117 WeakPolarHBondContact OE1-CD 3.48Å; E102-K117 IonicContact OE1-NZ 3Å; E102-K117 PolarHBondContact OE1-NZ 3.39Å; Y103-K117 CarbonylContact O-C 3.5Å; Y103-K117 WeakPolarHBondContact O-CA 3.28Å; Y104-K117 HydrophobicContact CD1-CB 4.12Å; Y104-K117 HydrophobicContact CD1-CG 4.28Å; Y104-K117 HydrophobicContact CE1-CB 3.9Å; Y104-K117 HydrophobicContact CE1-CD 3.92Å; Y104-K117 HydrophobicContact CE1-CG 3.83Å; Y104-K117 HydrophobicContact CE2-CG 4.42Å |
| 118 | V | 97.6 | Very high | 86 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 124.1 | 170.8 | 178.3 | 0 | 0 | 0 | 0 | 108.8 | T26 N28 V31 L41 W57 Y103 | T26-V118 HydrophobicContact CG2-CG2 4.16Å; T26-V118 WeakPolarHBondContact OG1-CG2 3.25Å; N28-V118 VanDerWaalsContact O-CG1 3.28Å; N28-V118 WeakPolarHBondContact O-CG1 3.44Å; V31-V118 HydrophobicContact CG2-CG1 3.78Å; L41-V118 HydrophobicContact CB-CG1 4.05Å; L41-V118 HydrophobicContact CD2-CB 4.27Å; L41-V118 HydrophobicContact CD2-CG1 3.9Å; L41-V118 HydrophobicContact CG-CB 4.5Å; L41-V118 HydrophobicContact CG-CG1 3.73Å; W57-V118 HydrophobicContact CH2-CG2 4.14Å; W57-V118 HydrophobicContact CZ3-CB 4.43Å; W57-V118 HydrophobicContact CZ3-CG2 4.39Å; Y103-V118 PolarHBondContact N-O 3.01Å; Y103-V118 PolarHBondContact O-N 2.68Å |
| 119 | K | 96.4 | Very high | 86.7 | Confident | 101 Ų | 101 | 49.2 Ų | 49.2 | 44% | 0.439 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 125.8 | 175.1 | -176.3 | -179.9 | 177.9 | -178.1 | 0 | 109.4 | A29 V31 | A29-K119 PolarHBondContact O-N 2.59Å; V31-K119 PolarHBondContact N-O 2.86Å |
| 120 | L | 96.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 117.6 | 171.4 | 177.5 | 62.4 | 0 | 0 | 0 | 109.4 | V31 A33 A39 L41 F92 V95 D99 N100 G101 Y103 V122 | V31-L120 HydrophobicContact CB-CD1 4.01Å; V31-L120 HydrophobicContact CG1-CD1 3.8Å; V31-L120 WeakPolarHBondContact O-CA 3.45Å; A33-L120 HydrophobicContact CB-CD1 4.42Å; A39-L120 HydrophobicContact CB-CD1 4Å; L41-L120 HydrophobicContact CD1-CD2 4.48Å; F92-L120 HydrophobicContact CE2-CD2 4.27Å; V95-L120 HydrophobicContact CG1-CD2 4.14Å; D99-L120 HydrophobicContact CB-CD2 4.22Å; N100-L120 WeakPolarHBondContact CA-O 3.23Å; G101-L120 PolarHBondContact N-O 2.76Å; G101-L120 PolarHBondContact O-N 3.36Å; Y103-L120 HydrophobicContact CD2-CB 3.93Å; Y103-L120 HydrophobicContact CE2-CB 3.71Å; Y103-L120 HydrophobicContact CE2-CD2 3.92Å; Y103-L120 HydrophobicContact CE2-CG 4.43Å; L120-V122 HydrophobicContact CD2-CG2 4.45Å; L120-V122 HydrophobicContact CG-CG2 4.27Å |
| 121 | T | 95.1 | Very high | 89.8 | Confident | 14 Ų | 14 | 50.7 Ų | 50.7 | 9% | 0.086 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 114.5 | 173.7 | -52 | 0 | 0 | 0 | 0 | 109.7 | V31 R32 A33 N100 L123 P154 | V31-T121 PolarHBondContact O-N 3.34Å; R32-T121 WeakPolarHBondContact CA-O 3.43Å; A33-T121 PolarHBondContact N-O 2.77Å; A33-T121 VanDerWaalsContact N-O 3.14Å; N100-T121 VanDerWaalsContact OD1-CA 3.3Å; N100-T121 WeakPolarHBondContact OD1-CA 3.4Å; T121-L123 HydrophobicContact CG2-CD2 4.05Å; T121-P154 HydrophobicContact CG2-CG 3.8Å |
| 122 | V | 95.4 | Very high | 92 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 116.5 | 177.6 | -176.9 | 0 | 0 | 0 | 0 | 109.6 | A33 E35 V95 D99 N100 L120 S153 | A33-V122 CarbonylContact O-C 3.58Å; A33-V122 WeakPolarHBondContact O-CA 3.37Å; E35-V122 HydrophobicContact CB-CG1 4.08Å; V95-V122 HydrophobicContact CB-CG2 4.03Å; V95-V122 HydrophobicContact CG2-CG1 3.93Å; V95-V122 HydrophobicContact CG2-CG2 4.04Å; D99-V122 HydrophobicContact CB-CG2 4.36Å; N100-V122 HydrophobicContact CB-CB 4.31Å; N100-V122 HydrophobicContact CB-CG2 4.29Å; N100-V122 PolarHBondContact OD1-N 3.12Å; L120-V122 HydrophobicContact CD2-CG2 4.45Å; L120-V122 HydrophobicContact CG-CG2 4.27Å; V122-S153 PolarHBondContact O-OG 3.02Å; V122-S153 VanDerWaalsContact O-OG 3.13Å |
| 123 | L | 95.8 | Very high | 94 | Very high | 20 Ų | 20 | 51.7 Ų | 51.7 | 11% | 0.105 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 123.2 | -175.6 | -59.7 | -173 | 0 | 0 | 0 | 110.4 | R32 A33 K34 E35 T121 S153 P154 A211 A212 | R32-L123 HydrophobicContact CB-CD1 4.08Å; R32-L123 HydrophobicContact CB-CG 4.31Å; A33-L123 PolarHBondContact O-N 2.78Å; K34-L123 WeakPolarHBondContact CA-O 3.3Å; K34-L123 HydrophobicContact CG-CB 4.34Å; E35-L123 PolarHBondContact N-O 2.72Å; T121-L123 HydrophobicContact CG2-CD2 4.05Å; L123-S153 CarbonylContact C-O 3.49Å; L123-S153 WeakPolarHBondContact CA-O 3.41Å; L123-P154 HydrophobicContact CD2-CG 4.42Å; L123-A211 HydrophobicContact CD2-CB 4.07Å; L123-A212 HydrophobicContact CB-CB 3.87Å |
| 124 | V | 94.8 | Very high | 95.1 | Very high | 4 Ų | 4 | 48.5 Ų | 48.5 | 2% | 0.024 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | -131.4 | 120.8 | 178.1 | -178.2 | 0 | 0 | 0 | 0 | 107.7 | E35 R97 Q151 S153 N210 A212 | E35-V124 HydrophobicContact CB-CG2 3.97Å; R97-V124 HydrophobicContact CG-CG2 3.58Å; R97-V124 VanDerWaalsContact CZ-CG1 3.46Å; V124-Q151 WeakPolarHBondContact CG1-O 3.25Å; V124-S153 PolarHBondContact N-O 2.92Å; V124-S153 PolarHBondContact O-N 3.14Å; V124-S153 VanDerWaalsContact O-N 3.12Å; V124-N210 PolarHBondContact O-ND2 3.13Å; V124-A212 VanDerWaalsContact C-CB 3.5Å |
| 125 | P | 93.1 | Very high | 95.7 | Very high | 76 Ų | 76 | 52.7 Ų | 52.7 | 49% | 0.494 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 145.3 | 177.2 | 27.2 | -34 | 0 | 0 | 0 | 110.9 | A212 | P125-A212 HydrophobicContact CB-CB 4.27Š|
| 126 | P | 94.4 | Very high | 96 | Very high | 9 Ų | 9 | 52.2 Ų | 52.2 | 6% | 0.058 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 151.5 | 174.9 | -11.9 | 29 | 0 | 0 | 0 | 109.8 | D149 P156 A208 N210 G213 A215 | P126-D149 HydrophobicContact CB-CB 4.33Å; P126-D149 WeakPolarHBondContact CB-OD2 3.43Å; P126-P156 HydrophobicContact CB-CB 4.26Å; P126-P156 HydrophobicContact CB-CG 4.33Å; P126-P156 HydrophobicContact CG-CB 3.84Å; P126-P156 HydrophobicContact CG-CG 4.39Å; P126-A208 HydrophobicContact CB-CB 3.86Å; P126-A208 HydrophobicContact CG-CB 4.39Å; P126-N210 WeakPolarHBondContact CD-OD1 3.39Å; P126-N210 HydrophobicContact CG-CB 4.14Å; P126-G213 VanDerWaalsContact CD-O 3.25Å; P126-G213 WeakPolarHBondContact CD-O 3.02Å; P126-A215 HydrophobicContact CB-CB 4.04Å; P126-A215 WeakPolarHBondContact O-CB 3.42Å |
| 127 | S | 92.7 | Very high | 96.1 | Very high | 49 Ų | 49 | 51.4 Ų | 51.4 | 34% | 0.343 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -83.9 | 171.4 | 169.6 | 66.5 | 0 | 0 | 0 | 0 | 110.5 | P129 D149 A215 | S127-P129 WeakPolarHBondContact O-CD 3.39Å; S127-P129 VanDerWaalsContact O-N 3.09Å; S127-D149 WeakPolarHBondContact CA-OD1 3.21Å; S127-D149 WeakPolarHBondContact CB-OD1 3.3Å; S127-D149 PolarHBondContact N-OD1 2.93Å; S127-D149 PolarHBondContact OG-OD1 3.37Å; S127-A215 WeakPolarHBondContact O-CB 2.93Å |
| 128 | M | 95.6 | Very high | 96.1 | Very high | 103 Ų | 103 | 49.6 Ų | 49.6 | 51% | 0.507 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 118.6 | 173.4 | -175.8 | 175.5 | 75.6 | 0 | 0 | 108.7 | ||
| 129 | P | 96.5 | Very high | 96 | Very high | 4 Ų | 4 | 50.7 Ų | 50.7 | 3% | 0.026 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -71.2 | 155.7 | -173.1 | 28.6 | -33 | 0 | 0 | 0 | 110.9 | S127 H148 D149 A208 K216 C218 | S127-P129 WeakPolarHBondContact O-CD 3.39Å; S127-P129 VanDerWaalsContact O-N 3.09Å; P129-H148 WeakPolarHBondContact CA-O 3.43Å; P129-D149 HydrophobicContact CB-CB 4.4Å; P129-A208 HydrophobicContact CB-CB 4.24Å; P129-A208 HydrophobicContact CG-CB 4.21Å; P129-K216 VanDerWaalsContact CD-O 3.23Å; P129-K216 WeakPolarHBondContact CD-O 3.02Å; P129-C218 HydrophobicContact CG-CB 4.3Å; P129-C218 WeakPolarHBondContact O-CB 3.4Å |
| 130 | M | 96.3 | Very high | 95.8 | Very high | 143 Ų | 143 | 48.9 Ų | 48.9 | 70% | 0.704 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88 | 121.5 | 171.5 | -63.2 | -174.7 | 74.3 | 0 | 0 | 109.6 | C147 H148 | M130-C147 WeakPolarHBondContact O-CA 3.48Å; M130-H148 PolarHBondContact N-O 2.99Å; M130-H148 PolarHBondContact O-N 2.8Å; M130-H148 VanDerWaalsContact O-N 3.1Å |
| 131 | C | 97.4 | Very high | 95.7 | Very high | 28 Ų | 28 | 57 Ų | 57 | 19% | 0.189 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 133 | 176.8 | -70.3 | 0 | 0 | 0 | 0 | 111.1 | S146 C206 C218 | C131-S146 CarbonylContact C-O 3.54Å; C131-S146 WeakPolarHBondContact CA-O 3.23Å; C131-C206 VanDerWaalsContact SG-CB 3.57Å; C131-C218 HydrophobicContact CB-CB 3.8Å; C131-C218 WeakPolarHBondContact CB-SG 3.19Å; C131-C218 WeakPolarHBondContact SG-CB 3.13Å; C131-C218 CovalentContact SG-SG 2.02Å; C131-C218 PolarHBondContact SG-SG 2.71Å |
| 132 | R | 98.1 | Very high | 95.8 | Very high | 183 Ų | 183 | 59.7 Ų | 59.7 | 69% | 0.691 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 111.2 | 170 | -60 | -179 | 179.3 | 171 | 0.5 | 108.4 | L145 S146 | R132-L145 WeakPolarHBondContact O-CA 3.25Å; R132-S146 WeakPolarHBondContact CB-OG 3Å; R132-S146 PolarHBondContact N-O 2.8Å; R132-S146 PolarHBondContact O-N 2.86Å; R132-S146 VanDerWaalsContact O-N 3.08Å |
| 133 | V | 98.3 | Very high | 95.9 | Very high | 16 Ų | 16 | 60.4 Ų | 60.4 | 10% | 0.097 | 33% | 0.333 | C | S | . | . | trans | -126.7 | 122.6 | -178.8 | 179 | 0 | 0 | 0 | 0 | 107.9 | T135 L145 W160 V221 M223 | V133-T135 PolarHBondContact O-N 3.29Å; V133-L145 HydrophobicContact CB-CD2 4.34Å; V133-L145 HydrophobicContact CB-CG 4.2Å; V133-L145 HydrophobicContact CG1-CD2 3.86Å; V133-L145 HydrophobicContact CG1-CG 3.98Å; V133-L145 HydrophobicContact CG2-CD2 3.85Å; V133-L145 HydrophobicContact CG2-CG 3.94Å; V133-W160 HydrophobicContact CG2-CH2 4.31Å; V133-W160 HydrophobicContact CG2-CZ3 4.21Å; V133-V221 HydrophobicContact CB-CB 3.8Å; V133-V221 HydrophobicContact CB-CG1 3.78Å; V133-V221 HydrophobicContact CG1-CB 4.3Å; V133-V221 HydrophobicContact CG1-CG1 4.17Å; V133-V221 HydrophobicContact CG2-CB 4.07Å; V133-M223 HydrophobicContact CG1-CB 3.86Å | ||
| 134 | P | 97.7 | Very high | 96 | Very high | 49 Ų | 49 | 63.7 Ų | 63.7 | 32% | 0.318 | 35% | 0.351 | S | S | . | . | trans | -62.9 | 130.6 | 173.2 | -24.7 | 37.4 | 0 | 0 | 0 | 110.8 | V137 V143 M223 | P134-V137 HydrophobicContact CB-CG2 3.98Å; P134-V143 HydrophobicContact CG-CG1 3.96Å; P134-M223 WeakPolarHBondContact O-CB 3.41Å; P134-M223 VanDerWaalsContact O-CG 3.31Å; P134-M223 WeakPolarHBondContact O-CG 3.4Å | ||
| 135 | T | 97.4 | Very high | 96.2 | Very high | 98 Ų | 98 | 63.5 Ų | 63.5 | 60% | 0.601 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -78.6 | -27.5 | -178.3 | 50.9 | 0 | 0 | 0 | 0 | 113 | V133 V221 R222 E224 | V133-T135 PolarHBondContact O-N 3.29Å; T135-V221 HydrophobicContact CG2-CG1 4.29Å; T135-R222 WeakPolarHBondContact CA-O 3.44Å; T135-E224 PolarHBondContact O-N 3.21Å |
| 136 | S | 97 | Very high | 96.4 | Very high | 77 Ų | 77 | 61.4 Ų | 61.4 | 54% | 0.538 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 126.4 | 179.3 | 166.4 | 0 | 0 | 0 | 0 | 110.3 | E224 H226 | S136-E224 CarbonylContact C-O 3.59Å; S136-E224 WeakPolarHBondContact CA-O 3.39Å; S136-H226 PolarHBondContact OG-CD2 2.83Å |
| 137 | V | 96.7 | Very high | 96.6 | Very high | 8 Ų | 8 | 61 Ų | 61 | 5% | 0.048 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 147.4 | -176.5 | 168.6 | 0 | 0 | 0 | 0 | 109.2 | P134 V143 A196 M223 E224 V225 H226 | P134-V137 HydrophobicContact CB-CG2 3.98Å; V137-V143 HydrophobicContact CB-CG2 4.14Å; V137-V143 HydrophobicContact CG1-CG2 3.35Å; V137-V143 HydrophobicContact CG2-CG1 4.13Å; V137-V143 HydrophobicContact CG2-CG2 3.66Å; V137-A196 HydrophobicContact CG1-CB 3.49Å; V137-A196 VanDerWaalsContact CG1-CB 3.49Å; V137-M223 HydrophobicContact CG2-CG 3.9Å; V137-M223 HydrophobicContact CG2-SD 3.84Å; V137-E224 PolarHBondContact N-O 3.26Å; V137-V225 HydrophobicContact CB-CG2 4.18Å; V137-V225 HydrophobicContact CG1-CG1 4.23Å; V137-V225 HydrophobicContact CG1-CG2 4.24Å; V137-V225 CarbonylContact O-C 3.37Å; V137-V225 WeakPolarHBondContact O-CA 3.38Å; V137-H226 PolarHBondContact O-N 2.79Å |
| 138 | T | 95.7 | Very high | 96.7 | Very high | 60 Ų | 60 | 64.1 Ų | 64.1 | 37% | 0.368 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 141.7 | 171.9 | -51.1 | 0 | 0 | 0 | 0 | 110.6 | R141 H226 I228 | T138-R141 WeakPolarHBondContact O-CB 3.41Å; T138-R141 PolarHBondContact O-N 2.78Å; T138-H226 CarbonylContact C-O 3.53Å; T138-H226 WeakPolarHBondContact CA-O 3.32Å; T138-I228 HydrophobicContact CG2-CB 4.41Å; T138-I228 HydrophobicContact CG2-CG1 3.56Å |
| 139 | T | 95.7 | Very high | 96.6 | Very high | 23 Ų | 23 | 59.6 Ų | 59.6 | 14% | 0.141 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 150.4 | 176.2 | 51 | 0 | 0 | 0 | 0 | 112.4 | R141 A196 K198 V225 H226 D227 I228 | T139-R141 PolarHBondContact O-N 3.44Å; T139-R141 VanDerWaalsContact O-N 3.11Å; T139-A196 CarbonylContact C-O 3.59Å; T139-A196 WeakPolarHBondContact CA-O 3.4Å; T139-K198 HydrophobicContact CG2-CD 4.46Å; T139-K198 HydrophobicContact CG2-CG 4.25Å; T139-V225 HydrophobicContact CG2-CG1 3.68Å; T139-H226 WeakPolarHBondContact CG2-O 3.46Å; T139-H226 PolarHBondContact N-O 3.33Å; T139-D227 WeakPolarHBondContact OG1-CA 3.3Å; T139-I228 PolarHBondContact OG1-N 2.86Å |
| 140 | A | 93.1 | Very high | 96 | Very high | 63 Ų | 63 | 63.3 Ų | 63.3 | 52% | 0.521 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61 | 11.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | A196 | A140-A196 PolarHBondContact N-O 2.89Š|
| 141 | R | 94.1 | Very high | 95.4 | Very high | 169 Ų | 169 | 60.8 Ų | 60.8 | 64% | 0.638 | 34% | 0.339 | S | S | * | . | trans | -96 | 150.3 | 169.9 | -62.2 | -61.7 | -174.9 | 160.8 | -1.5 | 110.9 | T138 T139 A196 | T138-R141 WeakPolarHBondContact O-CB 3.41Å; T138-R141 PolarHBondContact O-N 2.78Å; T139-R141 PolarHBondContact O-N 3.44Å; T139-R141 VanDerWaalsContact O-N 3.11Å; R141-A196 WeakPolarHBondContact O-CB 3.39Å; R141-A196 PolarHBondContact O-N 3.17Å | ||
| 142 | S | 96.7 | Very high | 95.1 | Very high | 72 Ų | 72 | 60.1 Ų | 60.1 | 50% | 0.503 | 34% | 0.336 | S | S | . | . | trans | -74.7 | 141.5 | 169.6 | 175.7 | 0 | 0 | 0 | 0 | 110.1 | F193 P194 | S142-F193 CarbonylContact C-O 3.53Å; S142-F193 WeakPolarHBondContact CA-O 3.49Å; S142-P194 VanDerWaalsContact CA-O 3.3Å; S142-P194 WeakPolarHBondContact CA-O 3.38Å; S142-P194 WeakPolarHBondContact CB-O 3.43Å; S142-P194 PolarHBondContact N-O 3.38Å | ||
| 143 | V | 97.4 | Very high | 94.7 | Very high | 14 Ų | 14 | 52.6 Ų | 52.6 | 9% | 0.085 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 137.7 | 179.5 | 173.7 | 0 | 0 | 0 | 0 | 110.3 | P134 V137 L145 E192 F193 A196 M223 | P134-V143 HydrophobicContact CG-CG1 3.96Å; V137-V143 HydrophobicContact CB-CG2 4.14Å; V137-V143 HydrophobicContact CG1-CG2 3.35Å; V137-V143 HydrophobicContact CG2-CG1 4.13Å; V137-V143 HydrophobicContact CG2-CG2 3.66Å; V143-L145 HydrophobicContact CG1-CD1 3.58Å; V143-E192 CarbonylContact O-C 3.56Å; V143-E192 WeakPolarHBondContact O-CA 3.45Å; V143-F193 HydrophobicContact CB-CB 4.45Å; V143-F193 PolarHBondContact N-O 3.07Å; V143-F193 PolarHBondContact O-N 3.1Å; V143-A196 HydrophobicContact CG2-CB 4.29Å; V143-M223 HydrophobicContact CG1-SD 4.11Å |
| 144 | L | 98.2 | Very high | 94.3 | Very high | 89 Ų | 89 | 53.8 Ų | 53.8 | 47% | 0.466 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 120.5 | 176.7 | -177.5 | 67.4 | 0 | 0 | 0 | 110.2 | N190 E192 | L144-N190 HydrophobicContact CD1-CB 3.76Å; L144-E192 HydrophobicContact CD1-CB 4.25Å |
| 145 | L | 98.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 139.1 | 165 | -77.6 | 61.6 | 0 | 0 | 0 | 107.7 | R132 V133 V143 W160 N190 L191 F193 Y204 M223 | R132-L145 WeakPolarHBondContact O-CA 3.25Å; V133-L145 HydrophobicContact CB-CD2 4.34Å; V133-L145 HydrophobicContact CB-CG 4.2Å; V133-L145 HydrophobicContact CG1-CD2 3.86Å; V133-L145 HydrophobicContact CG1-CG 3.98Å; V133-L145 HydrophobicContact CG2-CD2 3.85Å; V133-L145 HydrophobicContact CG2-CG 3.94Å; V143-L145 HydrophobicContact CG1-CD1 3.58Å; L145-W160 HydrophobicContact CB-CH2 3.73Å; L145-W160 HydrophobicContact CB-CZ2 3.9Å; L145-W160 HydrophobicContact CB-CZ3 4.29Å; L145-W160 HydrophobicContact CD2-CH2 4.32Å; L145-W160 HydrophobicContact CD2-CZ3 4.05Å; L145-N190 WeakPolarHBondContact O-CA 3.34Å; L145-L191 HydrophobicContact CB-CB 4.1Å; L145-L191 HydrophobicContact CB-CG 4.49Å; L145-L191 HydrophobicContact CD2-CD2 3.96Å; L145-L191 PolarHBondContact N-O 2.87Å; L145-L191 PolarHBondContact O-N 2.83Å; L145-F193 HydrophobicContact CD1-CD2 4.23Å; L145-F193 HydrophobicContact CD1-CE2 4.09Å; L145-F193 HydrophobicContact CD2-CE2 4.4Å; L145-Y204 HydrophobicContact CD2-CD1 3.62Å; L145-Y204 HydrophobicContact CD2-CD2 4.25Å; L145-Y204 HydrophobicContact CD2-CE1 4.23Å; L145-Y204 HydrophobicContact CD2-CG 3.62Å; L145-M223 HydrophobicContact CD1-SD 4.02Å |
| 146 | S | 98.1 | Very high | 94 | Very high | 33 Ų | 33 | 52.8 Ų | 52.8 | 23% | 0.231 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 144.9 | 177.9 | 50.3 | 0 | 0 | 0 | 0 | 111.2 | C131 R132 | C131-S146 CarbonylContact C-O 3.54Å; C131-S146 WeakPolarHBondContact CA-O 3.23Å; R132-S146 WeakPolarHBondContact CB-OG 3Å; R132-S146 PolarHBondContact N-O 2.8Å; R132-S146 PolarHBondContact O-N 2.86Å; R132-S146 VanDerWaalsContact O-N 3.08Å |
| 147 | C | 97.3 | Very high | 94 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.007 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 124.8 | 179.5 | 175.8 | 0 | 0 | 0 | 0 | 108.2 | M130 Y158 W160 G189 C206 | M130-C147 WeakPolarHBondContact O-CA 3.48Å; C147-Y158 HydrophobicContact CB-CD1 4.24Å; C147-Y158 WeakPolarHBondContact SG-CD1 3.29Å; C147-W160 HydrophobicContact CB-CH2 4.01Å; C147-W160 HydrophobicContact CB-CZ2 3.45Å; C147-W160 VanDerWaalsContact CB-CZ2 3.45Å; C147-G189 PolarHBondContact N-O 2.88Å; C147-G189 WeakPolarHBondContact O-CA 3.18Å; C147-C206 HydrophobicContact CB-CB 3.57Å; C147-C206 WeakPolarHBondContact CB-SG 3.46Å; C147-C206 WeakPolarHBondContact SG-CB 3.33Å; C147-C206 CovalentContact SG-SG 2.03Å; C147-C206 PolarHBondContact SG-SG 3.18Å |
| 148 | H | 94.5 | Very high | 94 | Very high | 114 Ų | 114 | 52.4 Ų | 52.4 | 53% | 0.528 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 137.3 | -176.6 | -177.2 | -85.1 | 0 | 0 | 0 | 111.7 | P129 M130 | P129-H148 WeakPolarHBondContact CA-O 3.43Å; M130-H148 PolarHBondContact N-O 2.99Å; M130-H148 PolarHBondContact O-N 2.8Å; M130-H148 VanDerWaalsContact O-N 3.1Å |
| 149 | D | 93 | Very high | 94.1 | Very high | 7 Ų | 7 | 54.4 Ų | 54.4 | 4% | 0.037 | 31% | 0.312 | C | S | . | . | trans | -111.5 | 140.4 | 168.7 | 167.6 | 63.3 | 0 | 0 | 0 | 110.4 | P126 S127 P129 Q151 G152 P156 Y158 A208 | P126-D149 HydrophobicContact CB-CB 4.33Å; P126-D149 WeakPolarHBondContact CB-OD2 3.43Å; S127-D149 WeakPolarHBondContact CA-OD1 3.21Å; S127-D149 WeakPolarHBondContact CB-OD1 3.3Å; S127-D149 PolarHBondContact N-OD1 2.93Å; S127-D149 PolarHBondContact OG-OD1 3.37Å; P129-D149 HydrophobicContact CB-CB 4.4Å; D149-Q151 PolarHBondContact OD1-N 3Å; D149-Q151 PolarHBondContact OD2-N 3.21Å; D149-Q151 VanDerWaalsContact OD2-N 3.16Å; D149-G152 WeakPolarHBondContact OD2-CA 3.05Å; D149-G152 PolarHBondContact OD2-N 3.44Å; D149-P156 HydrophobicContact CB-CG 4.1Å; D149-Y158 HydrophobicContact CB-CE1 4.42Å; D149-Y158 PolarHBondContact N-OH 3.43Å; D149-A208 HydrophobicContact CB-CB 4.04Å | ||
| 150 | A | 83.9 | Confident | 94.2 | Very high | 82 Ų | 82 | 53.4 Ų | 53.4 | 68% | 0.678 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -98.2 | -9.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 151 | Q | 84.3 | Confident | 94.5 | Very high | 91 Ų | 91 | 52 Ų | 52 | 43% | 0.425 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -119.4 | -23.9 | -161.8 | -63.2 | -66.8 | 7.4 | 0 | 0 | 115 | R97 V124 D149 | R97-Q151 PolarHBondContact NH1-O 2.92Å; V124-Q151 WeakPolarHBondContact CG1-O 3.25Å; D149-Q151 PolarHBondContact OD1-N 3Å; D149-Q151 PolarHBondContact OD2-N 3.21Å; D149-Q151 VanDerWaalsContact OD2-N 3.16Å |
| 152 | G | 90.8 | Very high | 94.6 | Very high | 14 Ų | 14 | 44.8 Ų | 44.8 | 14% | 0.144 | 26% | 0.26 | C | S | . | . | trans | -66.8 | 130.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D149 P154 | D149-G152 WeakPolarHBondContact OD2-CA 3.05Å; D149-G152 PolarHBondContact OD2-N 3.44Å; G152-P154 CarbonylContact C-O 3.52Å; G152-P154 CarbonylContact O-C 3.53Å | ||
| 153 | S | 90 | Very high | 94.7 | Very high | 24 Ų | 24 | 44.5 Ų | 44.5 | 17% | 0.168 | 25% | 0.253 | C | S | . | . | B | Isolated β-bridge | trans | -131.7 | 124.8 | 172.5 | 176.3 | 0 | 0 | 0 | 0 | 109.3 | V122 L123 V124 N210 | V122-S153 PolarHBondContact O-OG 3.02Å; V122-S153 VanDerWaalsContact O-OG 3.13Å; L123-S153 CarbonylContact C-O 3.49Å; L123-S153 WeakPolarHBondContact CA-O 3.41Å; V124-S153 PolarHBondContact N-O 2.92Å; V124-S153 PolarHBondContact O-N 3.14Å; V124-S153 VanDerWaalsContact O-N 3.12Å; S153-N210 PolarHBondContact N-ND2 3.11Å; S153-N210 PolarHBondContact O-ND2 3.44Å |
| 154 | P | 91.2 | Very high | 94.7 | Very high | 42 Ų | 42 | 48.9 Ų | 48.9 | 27% | 0.273 | 28% | 0.276 | S | S | . | . | S | Bend | cis | -58.3 | 164.8 | -7.5 | -23.1 | 34.6 | 0 | 0 | 0 | 113 | T121 L123 G152 N210 | T121-P154 HydrophobicContact CG2-CG 3.8Å; L123-P154 HydrophobicContact CD2-CG 4.42Å; G152-P154 CarbonylContact C-O 3.52Å; G152-P154 CarbonylContact O-C 3.53Å; P154-N210 WeakPolarHBondContact O-CB 3.3Å; P154-N210 PolarHBondContact O-ND2 2.93Å |
| 155 | P | 91.8 | Very high | 94.6 | Very high | 114 Ų | 114 | 49.5 Ų | 49.5 | 74% | 0.74 | 28% | 0.28 | S | S | * | . | P | Polyproline II helix | trans | -49.9 | 131.1 | 176.4 | -27.9 | 35.5 | 0 | 0 | 0 | 111.4 | ||
| 156 | P | 95.9 | Very high | 94.5 | Very high | 11 Ų | 11 | 53.4 Ų | 53.4 | 7% | 0.071 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -75.3 | 160.7 | -176.3 | 29.6 | -33.5 | 0 | 0 | 0 | 112.5 | P126 D149 Y158 A208 V209 N210 | P126-P156 HydrophobicContact CB-CB 4.26Å; P126-P156 HydrophobicContact CB-CG 4.33Å; P126-P156 HydrophobicContact CG-CB 3.84Å; P126-P156 HydrophobicContact CG-CG 4.39Å; D149-P156 HydrophobicContact CB-CG 4.1Å; P156-Y158 HydrophobicContact CG-CE1 4.38Å; P156-A208 HydrophobicContact CB-CB 4.05Å; P156-A208 HydrophobicContact CG-CB 4.16Å; P156-V209 CarbonylContact C-O 3.53Å; P156-V209 VanDerWaalsContact CA-O 3.25Å; P156-V209 WeakPolarHBondContact CA-O 3.15Å; P156-V209 WeakPolarHBondContact CB-O 3.4Å; P156-N210 HydrophobicContact CB-CB 4.16Å |
| 157 | T | 96.8 | Very high | 94.4 | Very high | 68 Ų | 68 | 52.5 Ų | 52.5 | 42% | 0.417 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 158.7 | 159.8 | 58.8 | 0 | 0 | 0 | 0 | 110.4 | T186 A208 V209 | T157-T186 CarbonylContact C-O 3.5Å; T157-T186 WeakPolarHBondContact CA-O 3.15Å; T157-T186 WeakPolarHBondContact CB-O 3.14Å; T157-A208 WeakPolarHBondContact O-CA 3.21Å; T157-V209 PolarHBondContact N-O 2.8Å; T157-V209 PolarHBondContact O-N 3.24Å; T157-V209 PolarHBondContact OG1-O 3.34Å |
| 158 | Y | 97.6 | Very high | 94.4 | Very high | 10 Ų | 10 | 53.4 Ų | 53.4 | 4% | 0.039 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 138.9 | -171.3 | -60.5 | -83.4 | 0 | 0 | 0 | 111.9 | C147 D149 P156 T186 G189 E207 A208 | C147-Y158 HydrophobicContact CB-CD1 4.24Å; C147-Y158 WeakPolarHBondContact SG-CD1 3.29Å; D149-Y158 HydrophobicContact CB-CE1 4.42Å; D149-Y158 PolarHBondContact N-OH 3.43Å; P156-Y158 HydrophobicContact CG-CE1 4.38Å; Y158-T186 WeakPolarHBondContact CD2-O 2.95Å; Y158-T186 PolarHBondContact N-O 3.35Å; Y158-G189 VanDerWaalsContact CD2-N 3.34Å; Y158-G189 VanDerWaalsContact CG-CA 3.5Å; Y158-E207 WeakPolarHBondContact CA-O 3.41Å; Y158-A208 HydrophobicContact CD1-CB 3.96Å; Y158-A208 HydrophobicContact CE1-CB 3.81Å |
| 159 | K | 97.5 | Very high | 94.4 | Very high | 102 Ų | 102 | 54 Ų | 54 | 44% | 0.443 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 129.2 | 176.3 | -62.8 | 177.7 | -175.1 | 171.2 | 0 | 109.7 | Y161 C206 E207 V209 | K159-Y161 HydrophobicContact CB-CE2 3.93Å; K159-C206 CarbonylContact O-C 3.44Å; K159-C206 VanDerWaalsContact O-CA 3.22Å; K159-C206 WeakPolarHBondContact O-CA 3.44Å; K159-E207 HydrophobicContact CB-CB 4.49Å; K159-E207 PolarHBondContact N-O 3.49Å; K159-E207 PolarHBondContact O-N 3.28Å; K159-V209 HydrophobicContact CD-CG2 4.46Å |
| 160 | W | 98.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 56 Ų | 56 | 0% | 0.004 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 148.9 | 178.1 | -78.6 | 94.9 | 0 | 0 | 0 | 111.8 | V133 L145 C147 L167 I184 G189 L191 S205 C206 | V133-W160 HydrophobicContact CG2-CH2 4.31Å; V133-W160 HydrophobicContact CG2-CZ3 4.21Å; L145-W160 HydrophobicContact CB-CH2 3.73Å; L145-W160 HydrophobicContact CB-CZ2 3.9Å; L145-W160 HydrophobicContact CB-CZ3 4.29Å; L145-W160 HydrophobicContact CD2-CH2 4.32Å; L145-W160 HydrophobicContact CD2-CZ3 4.05Å; C147-W160 HydrophobicContact CB-CH2 4.01Å; C147-W160 HydrophobicContact CB-CZ2 3.45Å; C147-W160 VanDerWaalsContact CB-CZ2 3.45Å; W160-L167 HydrophobicContact CB-CB 4.4Å; W160-L167 HydrophobicContact CB-CD1 4.1Å; W160-L167 PolarHBondContact O-N 2.83Å; W160-I184 HydrophobicContact CB-CD1 4.29Å; W160-G189 WeakPolarHBondContact CZ2-O 3.46Å; W160-G189 PolarHBondContact NE1-O 2.79Å; W160-L191 HydrophobicContact CB-CD2 4.02Å; W160-L191 HydrophobicContact CD2-CB 3.91Å; W160-L191 HydrophobicContact CD2-CD2 3.78Å; W160-L191 HydrophobicContact CE3-CD2 4.02Å; W160-L191 HydrophobicContact CG-CB 3.91Å; W160-L191 HydrophobicContact CG-CD2 3.79Å; W160-L191 HydrophobicContact CG-CG 4.43Å; W160-L191 HydrophobicContact CZ2-CB 4.24Å; W160-S205 VanDerWaalsContact CE3-O 3.32Å; W160-C206 HydrophobicContact CD2-CB 3.95Å; W160-C206 HydrophobicContact CE3-CB 3.87Å; W160-C206 HydrophobicContact CH2-CB 4.16Å; W160-C206 HydrophobicContact CZ2-CB 4.25Å; W160-C206 HydrophobicContact CZ3-CB 3.97Å |
| 161 | Y | 98.3 | Very high | 94.8 | Very high | 35 Ų | 35 | 52.8 Ų | 52.8 | 14% | 0.137 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 136.9 | 178.3 | -63.2 | -103.5 | 0 | 0 | 0 | 108.7 | K159 N165 P166 Y204 S205 E207 | K159-Y161 HydrophobicContact CB-CE2 3.93Å; Y161-N165 CarbonylContact C-O 3.56Å; Y161-N165 WeakPolarHBondContact CA-O 3.48Å; Y161-P166 HydrophobicContact CD1-CB 4.03Å; Y161-P166 HydrophobicContact CE1-CB 3.76Å; Y161-P166 HydrophobicContact CE1-CG 4.49Å; Y161-Y204 WeakPolarHBondContact O-CA 3.22Å; Y161-S205 PolarHBondContact N-O 3.46Å; Y161-S205 PolarHBondContact O-N 2.87Å; Y161-E207 HydrophobicContact CE2-CB 3.9Å |
| 162 | K | 97.7 | Very high | 95.1 | Very high | 16 Ų | 16 | 52.5 Ų | 52.5 | 7% | 0.07 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 124.4 | 171.3 | -172.8 | -164.4 | 178.7 | -152.7 | 0 | 108.4 | N164 N165 L167 Y180 M199 T201 D203 Y204 | K162-N164 PolarHBondContact O-N 2.03Å; K162-N165 PolarHBondContact N-O 2.87Å; K162-N165 WeakPolarHBondContact O-CB 3.44Å; K162-N165 PolarHBondContact O-N 2.9Å; K162-L167 HydrophobicContact CB-CD1 4.26Å; K162-L167 HydrophobicContact CB-CD2 3.85Å; K162-L167 HydrophobicContact CB-CG 4.14Å; K162-Y180 HydrophobicContact CD-CE1 4.4Å; K162-M199 PolarHBondContact NZ-O 3.45Å; K162-T201 WeakPolarHBondContact CE-O 3.35Å; K162-T201 PolarHBondContact NZ-O 2.79Å; K162-D203 CarbonylContact C-O 3.57Å; K162-D203 WeakPolarHBondContact CA-O 3.48Å; K162-Y204 HydrophobicContact CB-CD1 4.34Å; K162-Y204 HydrophobicContact CB-CE1 3.98Å; K162-Y204 HydrophobicContact CD-CE1 4.34Å; K162-Y204 WeakPolarHBondContact CD-OH 3.45Å; K162-Y204 HydrophobicContact CG-CD1 4.46Å; K162-Y204 HydrophobicContact CG-CE1 3.9Å; K162-Y204 HydrophobicContact CG-CE2 4.1Å |
| 163 | D | 97.4 | Very high | 95.2 | Very high | 67 Ų | 67 | 59.3 Ų | 59.3 | 36% | 0.358 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 41.5 | -178.8 | -50.8 | -46 | 0 | 0 | 0 | 111.6 | N165 G202 D203 | D163-N165 PolarHBondContact O-N 3.18Å; D163-N165 PolarHBondContact O-ND2 2.02Å; D163-G202 WeakPolarHBondContact OD1-CA 3.06Å; D163-D203 PolarHBondContact N-O 2.87Å; D163-D203 PolarHBondContact OD1-N 2.91Å |
| 164 | N | 97.1 | Very high | 95.3 | Very high | 106 Ų | 106 | 63.1 Ų | 63.1 | 57% | 0.567 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65 | 2.4 | -172.9 | -63.5 | -59.8 | 0 | 0 | 0 | 117.1 | K162 R217 | K162-N164 PolarHBondContact O-N 2.03Å; N164-R217 PolarHBondContact OD1-NH1 3.45Å; N164-R217 PolarHBondContact OD1-NH2 2.72Å |
| 165 | N | 96.2 | Very high | 95.3 | Very high | 102 Ų | 102 | 64.7 Ų | 64.7 | 55% | 0.545 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 134 | 175.6 | -63.5 | -75.8 | 0 | 0 | 0 | 110.6 | Y161 K162 D163 L167 | Y161-N165 CarbonylContact C-O 3.56Å; Y161-N165 WeakPolarHBondContact CA-O 3.48Å; K162-N165 PolarHBondContact N-O 2.87Å; K162-N165 WeakPolarHBondContact O-CB 3.44Å; K162-N165 PolarHBondContact O-N 2.9Å; D163-N165 PolarHBondContact O-N 3.18Å; D163-N165 PolarHBondContact O-ND2 2.02Å; N165-L167 PolarHBondContact O-N 3.48Å |
| 166 | P | 96.8 | Very high | 95.1 | Very high | 81 Ų | 81 | 63.3 Ų | 63.3 | 53% | 0.526 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 133.6 | 178.4 | 27.1 | -33.5 | 0 | 0 | 0 | 110.8 | Y161 | Y161-P166 HydrophobicContact CD1-CB 4.03Å; Y161-P166 HydrophobicContact CE1-CB 3.76Å; Y161-P166 HydrophobicContact CE1-CG 4.49Å |
| 167 | L | 97.1 | Very high | 94.8 | Very high | 15 Ų | 15 | 64.6 Ų | 64.6 | 8% | 0.079 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -85 | 121.8 | 170.9 | -65.7 | -177.1 | 0 | 0 | 0 | 109.1 | W160 K162 N165 F177 Y182 I184 L191 Y204 | W160-L167 HydrophobicContact CB-CB 4.4Å; W160-L167 HydrophobicContact CB-CD1 4.1Å; W160-L167 PolarHBondContact O-N 2.83Å; K162-L167 HydrophobicContact CB-CD1 4.26Å; K162-L167 HydrophobicContact CB-CD2 3.85Å; K162-L167 HydrophobicContact CB-CG 4.14Å; N165-L167 PolarHBondContact O-N 3.48Å; L167-F177 HydrophobicContact CD2-CE1 3.93Å; L167-Y182 HydrophobicContact CB-CE2 4.38Å; L167-Y182 HydrophobicContact CD1-CE1 4.42Å; L167-Y182 HydrophobicContact CD2-CE1 4.08Å; L167-I184 HydrophobicContact CB-CD1 3.83Å; L167-L191 HydrophobicContact CD1-CD1 4.43Å; L167-L191 HydrophobicContact CD1-CD2 3.81Å; L167-Y204 HydrophobicContact CD1-CE1 4.14Å |
| 168 | P | 95.8 | Very high | 94.2 | Very high | 20 Ų | 20 | 70.3 Ų | 70.3 | 13% | 0.13 | 37% | 0.37 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 144.9 | 173.8 | 25.1 | -33.4 | 0 | 0 | 0 | 111 | D170 F174 F177 Y182 | P168-D170 PolarHBondContact O-N 2.83Å; P168-F174 HydrophobicContact CB-CD2 3.47Å; P168-F174 VanDerWaalsContact CB-CD2 3.47Å; P168-F174 HydrophobicContact CB-CE2 3.35Å; P168-F174 HydrophobicContact CB-CG 4.39Å; P168-F174 HydrophobicContact CB-CZ 4.18Å; P168-F174 HydrophobicContact CG-CD2 3.69Å; P168-F174 HydrophobicContact CG-CE2 4.12Å; P168-F174 HydrophobicContact CG-CG 4.31Å; P168-F177 VanDerWaalsContact CD-CZ 3.47Å; P168-F177 HydrophobicContact CG-CB 4.44Å; P168-F177 HydrophobicContact CG-CD1 4.11Å; P168-F177 HydrophobicContact CG-CD2 3.72Å; P168-F177 HydrophobicContact CG-CE1 4.26Å; P168-F177 HydrophobicContact CG-CE2 3.87Å; P168-F177 HydrophobicContact CG-CG 3.83Å; P168-F177 HydrophobicContact CG-CZ 4.14Å; P168-Y182 WeakPolarHBondContact CD-OH 2.96Å; P168-Y182 WeakPolarHBondContact CG-OH 3.38Å; P168-Y182 VanDerWaalsContact O-CE2 3.28Å; P168-Y182 WeakPolarHBondContact O-CE2 3.42Å; P168-Y182 PolarHBondContact O-OH 3.32Å |
| 169 | E | 94.3 | Very high | 93.6 | Very high | 125 Ų | 125 | 75.5 Ų | 75.5 | 58% | 0.584 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -57.4 | -39.4 | 177.2 | -178.8 | 174.8 | -170.6 | 0 | 0 | 112.1 | T186 | E169-T186 HydrophobicContact CG-CG2 4.09Š|
| 170 | D | 93.6 | Very high | 93.3 | Very high | 51 Ų | 51 | 73.6 Ų | 73.6 | 27% | 0.273 | 39% | 0.389 | S | S | . | . | trans | -119.2 | 98.2 | 176.6 | -178.3 | -3.5 | 0 | 0 | 0 | 109.7 | P168 S172 K173 F174 | P168-D170 PolarHBondContact O-N 2.83Å; D170-S172 PolarHBondContact O-N 3.08Å; D170-S172 WeakPolarHBondContact OD1-CB 3.36Å; D170-S172 PolarHBondContact OD1-N 2.85Å; D170-S172 VanDerWaalsContact OD1-N 3.1Å; D170-S172 PolarHBondContact OD1-OG 3.23Å; D170-K173 HydrophobicContact CB-CD 4.06Å; D170-K173 HydrophobicContact CB-CG 4.38Å; D170-K173 PolarHBondContact O-N 2.85Å; D170-K173 WeakPolarHBondContact OD2-CD 3.4Å; D170-K173 WeakPolarHBondContact OD2-CE 3.25Å; D170-K173 WeakPolarHBondContact OD2-CG 3.43Å; D170-K173 IonicContact OD2-NZ 2.78Å; D170-K173 PolarHBondContact OD2-NZ 3.47Å; D170-F174 WeakPolarHBondContact O-CD2 3.46Å | ||
| 171 | P | 92.9 | Very high | 92.9 | Very high | 13 Ų | 13 | 77.1 Ų | 77.1 | 8% | 0.084 | 41% | 0.411 | C | S | . | . | G | 310 helix | trans | -63.5 | -23.9 | -178.6 | 23.4 | -31.8 | 0 | 0 | 0 | 113.1 | K173 F174 F177 Y182 | P171-K173 PolarHBondContact O-N 2.94Å; P171-F174 PolarHBondContact O-N 3.39Å; P171-F177 HydrophobicContact CB-CB 3.79Å; P171-Y182 HydrophobicContact CB-CE1 4.16Å; P171-Y182 HydrophobicContact CB-CE2 4.47Å; P171-Y182 HydrophobicContact CG-CE1 4.38Å; P171-Y182 HydrophobicContact CG-CE2 4.11Å |
| 172 | S | 90.9 | Very high | 92.8 | Very high | 86 Ų | 86 | 75.7 Ų | 75.7 | 60% | 0.601 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -66.5 | -23.1 | -176.7 | 75 | 0 | 0 | 0 | 0 | 113.4 | D170 F174 | D170-S172 PolarHBondContact O-N 3.08Å; D170-S172 WeakPolarHBondContact OD1-CB 3.36Å; D170-S172 PolarHBondContact OD1-N 2.85Å; D170-S172 VanDerWaalsContact OD1-N 3.1Å; D170-S172 PolarHBondContact OD1-OG 3.23Å; S172-F174 VanDerWaalsContact C-N 3.28Å; S172-F174 PolarHBondContact O-N 2.98Å |
| 173 | K | 92.8 | Very high | 92.8 | Very high | 157 Ų | 157 | 81.2 Ų | 81.2 | 68% | 0.683 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -77.1 | -11.8 | 179.5 | -70.5 | 176.7 | 179.5 | 152.2 | 0 | 113.8 | D170 P171 | D170-K173 HydrophobicContact CB-CD 4.06Å; D170-K173 HydrophobicContact CB-CG 4.38Å; D170-K173 PolarHBondContact O-N 2.85Å; D170-K173 WeakPolarHBondContact OD2-CD 3.4Å; D170-K173 WeakPolarHBondContact OD2-CE 3.25Å; D170-K173 WeakPolarHBondContact OD2-CG 3.43Å; D170-K173 IonicContact OD2-NZ 2.78Å; D170-K173 PolarHBondContact OD2-NZ 3.47Å; P171-K173 PolarHBondContact O-N 2.94Å |
| 174 | F | 92 | Very high | 92.8 | Very high | 103 Ų | 103 | 79.1 Ų | 79.1 | 45% | 0.452 | 42% | 0.418 | S | S | . | . | trans | -122.3 | 124.2 | -172.1 | -61.3 | -87.3 | 0 | 0 | 0 | 111.1 | P168 D170 P171 S172 A176 F177 R178 | P168-F174 HydrophobicContact CB-CD2 3.47Å; P168-F174 VanDerWaalsContact CB-CD2 3.47Å; P168-F174 HydrophobicContact CB-CE2 3.35Å; P168-F174 HydrophobicContact CB-CG 4.39Å; P168-F174 HydrophobicContact CB-CZ 4.18Å; P168-F174 HydrophobicContact CG-CD2 3.69Å; P168-F174 HydrophobicContact CG-CE2 4.12Å; P168-F174 HydrophobicContact CG-CG 4.31Å; D170-F174 WeakPolarHBondContact O-CD2 3.46Å; P171-F174 PolarHBondContact O-N 3.39Å; S172-F174 VanDerWaalsContact C-N 3.28Å; S172-F174 PolarHBondContact O-N 2.98Å; F174-A176 PolarHBondContact O-N 2.93Å; F174-F177 HydrophobicContact CB-CB 4.34Å; F174-F177 HydrophobicContact CB-CD2 3.67Å; F174-F177 HydrophobicContact CB-CG 4.46Å; F174-F177 HydrophobicContact CG-CD2 4.42Å; F174-F177 PolarHBondContact O-N 3.49Å; F174-R178 PolarHBondContact O-N 3.25Å | ||
| 175 | A | 90.3 | Very high | 92.8 | Very high | 75 Ų | 75 | 77.4 Ų | 77.4 | 62% | 0.62 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -57.5 | -35.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | F177 R178 | A175-F177 PolarHBondContact O-N 2.98Å; A175-R178 WeakPolarHBondContact O-CG 3.48Å |
| 176 | A | 88.2 | Confident | 92.8 | Very high | 85 Ų | 85 | 74.1 Ų | 74.1 | 70% | 0.702 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -66.8 | -18.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | F174 | F174-A176 PolarHBondContact O-N 2.93Š|
| 177 | F | 89.3 | Confident | 92.8 | Very high | 39 Ų | 39 | 75.5 Ų | 75.5 | 17% | 0.171 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -112.9 | 9 | -174.8 | -65 | -90.2 | 0 | 0 | 0 | 113.7 | L167 P168 P171 F174 A175 N179 Y180 Y182 | L167-F177 HydrophobicContact CD2-CE1 3.93Å; P168-F177 VanDerWaalsContact CD-CZ 3.47Å; P168-F177 HydrophobicContact CG-CB 4.44Å; P168-F177 HydrophobicContact CG-CD1 4.11Å; P168-F177 HydrophobicContact CG-CD2 3.72Å; P168-F177 HydrophobicContact CG-CE1 4.26Å; P168-F177 HydrophobicContact CG-CE2 3.87Å; P168-F177 HydrophobicContact CG-CG 3.83Å; P168-F177 HydrophobicContact CG-CZ 4.14Å; P171-F177 HydrophobicContact CB-CB 3.79Å; F174-F177 HydrophobicContact CB-CB 4.34Å; F174-F177 HydrophobicContact CB-CD2 3.67Å; F174-F177 HydrophobicContact CB-CG 4.46Å; F174-F177 HydrophobicContact CG-CD2 4.42Å; F174-F177 PolarHBondContact O-N 3.49Å; A175-F177 PolarHBondContact O-N 2.98Å; F177-N179 PolarHBondContact O-N 2.97Å; F177-Y180 HydrophobicContact CB-CD2 4.14Å; F177-Y180 AromaticContact CD1-CD2 3.86Å; F177-Y180 HydrophobicContact CD1-CD2 3.86Å; F177-Y180 HydrophobicContact CD1-CE2 4.02Å; F177-Y180 HydrophobicContact CD1-CG 4.18Å; F177-Y180 HydrophobicContact CG-CD2 4.4Å; F177-Y180 WeakPolarHBondContact O-CB 3.36Å; F177-Y180 PolarHBondContact O-N 3.26Å; F177-Y182 HydrophobicContact CD1-CE1 4.49Å |
| 178 | R | 83.9 | Confident | 92.7 | Very high | 187 Ų | 187 | 78.2 Ų | 78.2 | 71% | 0.706 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -28 | -176.9 | -73.5 | -179.9 | -170 | -95.1 | 1.4 | 114.9 | F174 A175 | F174-R178 PolarHBondContact O-N 3.25Å; A175-R178 WeakPolarHBondContact O-CG 3.48Å |
| 179 | N | 86 | Confident | 92.7 | Very high | 120 Ų | 120 | 77.3 Ų | 77.3 | 64% | 0.642 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -1.5 | -179.3 | -64.8 | -18.2 | 0 | 0 | 0 | 113.5 | F177 M199 | F177-N179 PolarHBondContact O-N 2.97Å; N179-M199 HydrophobicContact CB-CE 3.97Å |
| 180 | Y | 89.6 | Confident | 92.9 | Very high | 61 Ų | 61 | 73.5 Ų | 73.5 | 24% | 0.239 | 39% | 0.392 | C | S | . | . | trans | -89.4 | 132.8 | 177.6 | -72.3 | -100.5 | 0 | 0 | 0 | 110 | K162 F177 Y182 | K162-Y180 HydrophobicContact CD-CE1 4.4Å; F177-Y180 HydrophobicContact CB-CD2 4.14Å; F177-Y180 AromaticContact CD1-CD2 3.86Å; F177-Y180 HydrophobicContact CD1-CD2 3.86Å; F177-Y180 HydrophobicContact CD1-CE2 4.02Å; F177-Y180 HydrophobicContact CD1-CG 4.18Å; F177-Y180 HydrophobicContact CG-CD2 4.4Å; F177-Y180 WeakPolarHBondContact O-CB 3.36Å; F177-Y180 PolarHBondContact O-N 3.26Å; Y180-Y182 AromaticContact CD1-CD1 3.77Å; Y180-Y182 HydrophobicContact CD1-CD1 3.77Å; Y180-Y182 AromaticContact CD1-CE1 3.76Å; Y180-Y182 HydrophobicContact CD1-CE1 3.76Å; Y180-Y182 HydrophobicContact CG-CD1 4.15Å; Y180-Y182 AromaticContact CG-CE1 3.94Å; Y180-Y182 HydrophobicContact CG-CE1 3.94Å | ||
| 181 | T | 91.5 | Very high | 93.1 | Very high | 76 Ų | 76 | 71.1 Ų | 71.1 | 47% | 0.466 | 38% | 0.379 | S | S | . | . | trans | -110.6 | 6.9 | -176.6 | 59.2 | 0 | 0 | 0 | 0 | 113.1 | P194 | T181-P194 WeakPolarHBondContact O-CD 3.47Š| ||
| 182 | Y | 96.2 | Very high | 93.4 | Very high | 5 Ų | 5 | 74.1 Ų | 74.1 | 2% | 0.02 | 39% | 0.392 | C | S | . | . | trans | -68.5 | 159.4 | -175.9 | 70.4 | -105.1 | 0 | 0 | 0 | 112.3 | L167 P168 P171 F177 Y180 I184 L191 E192 F193 | L167-Y182 HydrophobicContact CB-CE2 4.38Å; L167-Y182 HydrophobicContact CD1-CE1 4.42Å; L167-Y182 HydrophobicContact CD2-CE1 4.08Å; P168-Y182 WeakPolarHBondContact CD-OH 2.96Å; P168-Y182 WeakPolarHBondContact CG-OH 3.38Å; P168-Y182 VanDerWaalsContact O-CE2 3.28Å; P168-Y182 WeakPolarHBondContact O-CE2 3.42Å; P168-Y182 PolarHBondContact O-OH 3.32Å; P171-Y182 HydrophobicContact CB-CE1 4.16Å; P171-Y182 HydrophobicContact CB-CE2 4.47Å; P171-Y182 HydrophobicContact CG-CE1 4.38Å; P171-Y182 HydrophobicContact CG-CE2 4.11Å; F177-Y182 HydrophobicContact CD1-CE1 4.49Å; Y180-Y182 AromaticContact CD1-CD1 3.77Å; Y180-Y182 HydrophobicContact CD1-CD1 3.77Å; Y180-Y182 AromaticContact CD1-CE1 3.76Å; Y180-Y182 HydrophobicContact CD1-CE1 3.76Å; Y180-Y182 HydrophobicContact CG-CD1 4.15Å; Y180-Y182 AromaticContact CG-CE1 3.94Å; Y180-Y182 HydrophobicContact CG-CE1 3.94Å; Y182-I184 HydrophobicContact CD2-CD1 4.08Å; Y182-I184 HydrophobicContact CD2-CG1 3.81Å; Y182-I184 HydrophobicContact CE2-CD1 3.54Å; Y182-I184 HydrophobicContact CE2-CG1 3.78Å; Y182-L191 HydrophobicContact CD2-CD1 3.55Å; Y182-L191 HydrophobicContact CE2-CD1 4.43Å; Y182-L191 HydrophobicContact CG-CD1 3.73Å; Y182-E192 CarbonylContact C-O 3.59Å; Y182-E192 WeakPolarHBondContact CA-O 3.35Å; Y182-E192 WeakPolarHBondContact CB-O 3.5Å; Y182-F193 HydrophobicContact CD1-CE1 4.25Å; Y182-F193 HydrophobicContact CG-CE1 4.33Å | ||
| 183 | K | 96.9 | Very high | 93.7 | Very high | 132 Ų | 132 | 70 Ų | 70 | 57% | 0.574 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126 | 127.1 | 173.2 | -61.5 | 178.8 | -177.3 | 175.5 | 0 | 109.3 | L191 E192 | K183-L191 WeakPolarHBondContact O-CA 3.48Å; K183-E192 PolarHBondContact N-O 3.21Å; K183-E192 PolarHBondContact O-N 3.5Å |
| 184 | I | 97.6 | Very high | 93.9 | Very high | 22 Ų | 22 | 63.8 Ų | 63.8 | 11% | 0.113 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 131 | 174.6 | -67.7 | 170.8 | 0 | 0 | 0 | 108.7 | W160 L167 Y182 T186 L191 | W160-I184 HydrophobicContact CB-CD1 4.29Å; L167-I184 HydrophobicContact CB-CD1 3.83Å; Y182-I184 HydrophobicContact CD2-CD1 4.08Å; Y182-I184 HydrophobicContact CD2-CG1 3.81Å; Y182-I184 HydrophobicContact CE2-CD1 3.54Å; Y182-I184 HydrophobicContact CE2-CG1 3.78Å; I184-T186 HydrophobicContact CG2-CG2 3.82Å; I184-L191 HydrophobicContact CD1-CD1 4.35Å; I184-L191 HydrophobicContact CG1-CD1 3.62Å |
| 185 | N | 97.1 | Very high | 94 | Very high | 70 Ų | 70 | 65.8 Ų | 65.8 | 37% | 0.374 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 103.7 | 163.2 | -178.6 | -36.3 | 0 | 0 | 0 | 108.2 | V187 N188 G189 N190 | N185-V187 PolarHBondContact O-N 3.21Å; N185-V187 WeakPolarHBondContact OD1-CB 3.23Å; N185-V187 PolarHBondContact OD1-N 2.87Å; N185-N188 WeakPolarHBondContact CB-OD1 3.46Å; N185-N188 PolarHBondContact ND2-ND2 3Å; N185-N188 PolarHBondContact O-OD1 2.87Å; N185-N188 PolarHBondContact OD1-N 3.03Å; N185-N188 PolarHBondContact OD1-OD1 2.82Å; N185-G189 WeakPolarHBondContact O-CA 3.17Å; N185-G189 PolarHBondContact O-N 2.97Å; N185-N190 HydrophobicContact CB-CB 4.46Å; N185-N190 PolarHBondContact N-O 2.9Å; N185-N190 PolarHBondContact O-N 3.47Å |
| 186 | T | 96.8 | Very high | 94.2 | Very high | 34 Ų | 34 | 62.5 Ų | 62.5 | 21% | 0.209 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -14.5 | -176.7 | 55.3 | 0 | 0 | 0 | 0 | 113.1 | T157 Y158 E169 I184 | T157-T186 CarbonylContact C-O 3.5Å; T157-T186 WeakPolarHBondContact CA-O 3.15Å; T157-T186 WeakPolarHBondContact CB-O 3.14Å; Y158-T186 WeakPolarHBondContact CD2-O 2.95Å; Y158-T186 PolarHBondContact N-O 3.35Å; E169-T186 HydrophobicContact CG-CG2 4.09Å; I184-T186 HydrophobicContact CG2-CG2 3.82Å |
| 187 | V | 95.3 | Very high | 94.6 | Very high | 109 Ų | 109 | 60 Ų | 60 | 66% | 0.661 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.4 | -43.9 | -177.2 | -179.2 | 0 | 0 | 0 | 0 | 111.8 | N185 | N185-V187 PolarHBondContact O-N 3.21Å; N185-V187 WeakPolarHBondContact OD1-CB 3.23Å; N185-V187 PolarHBondContact OD1-N 2.87Å |
| 188 | N | 95.5 | Very high | 94.8 | Very high | 73 Ų | 73 | 62.5 Ų | 62.5 | 39% | 0.39 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -6.2 | 178.4 | 71.6 | 10.6 | 0 | 0 | 0 | 113.8 | N185 N190 | N185-N188 WeakPolarHBondContact CB-OD1 3.46Å; N185-N188 PolarHBondContact ND2-ND2 3Å; N185-N188 PolarHBondContact O-OD1 2.87Å; N185-N188 PolarHBondContact OD1-N 3.03Å; N185-N188 PolarHBondContact OD1-OD1 2.82Å; N188-N190 PolarHBondContact ND2-ND2 2.84Å; N188-N190 VanDerWaalsContact OD1-CB 3.23Å; N188-N190 WeakPolarHBondContact OD1-CB 3.22Å; N188-N190 PolarHBondContact OD1-N 2.83Å |
| 189 | G | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | 11.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | C147 Y158 W160 N185 | C147-G189 PolarHBondContact N-O 2.88Å; C147-G189 WeakPolarHBondContact O-CA 3.18Å; Y158-G189 VanDerWaalsContact CD2-N 3.34Å; Y158-G189 VanDerWaalsContact CG-CA 3.5Å; W160-G189 WeakPolarHBondContact CZ2-O 3.46Å; W160-G189 PolarHBondContact NE1-O 2.79Å; N185-G189 WeakPolarHBondContact O-CA 3.17Å; N185-G189 PolarHBondContact O-N 2.97Å |
| 190 | N | 98 | Very high | 95.7 | Very high | 46 Ų | 46 | 52.9 Ų | 52.9 | 25% | 0.246 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 136.2 | 179.6 | -71.3 | -7.1 | 0 | 0 | 0 | 112.1 | L144 L145 N185 N188 | L144-N190 HydrophobicContact CD1-CB 3.76Å; L145-N190 WeakPolarHBondContact O-CA 3.34Å; N185-N190 HydrophobicContact CB-CB 4.46Å; N185-N190 PolarHBondContact N-O 2.9Å; N185-N190 PolarHBondContact O-N 3.47Å; N188-N190 PolarHBondContact ND2-ND2 2.84Å; N188-N190 VanDerWaalsContact OD1-CB 3.23Å; N188-N190 WeakPolarHBondContact OD1-CB 3.22Å; N188-N190 PolarHBondContact OD1-N 2.83Å |
| 191 | L | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 111.5 | 167 | 166 | 63.9 | 0 | 0 | 0 | 107.8 | L145 W160 L167 Y182 K183 I184 F193 Y204 | L145-L191 HydrophobicContact CB-CB 4.1Å; L145-L191 HydrophobicContact CB-CG 4.49Å; L145-L191 HydrophobicContact CD2-CD2 3.96Å; L145-L191 PolarHBondContact N-O 2.87Å; L145-L191 PolarHBondContact O-N 2.83Å; W160-L191 HydrophobicContact CB-CD2 4.02Å; W160-L191 HydrophobicContact CD2-CB 3.91Å; W160-L191 HydrophobicContact CD2-CD2 3.78Å; W160-L191 HydrophobicContact CE3-CD2 4.02Å; W160-L191 HydrophobicContact CG-CB 3.91Å; W160-L191 HydrophobicContact CG-CD2 3.79Å; W160-L191 HydrophobicContact CG-CG 4.43Å; W160-L191 HydrophobicContact CZ2-CB 4.24Å; L167-L191 HydrophobicContact CD1-CD1 4.43Å; L167-L191 HydrophobicContact CD1-CD2 3.81Å; Y182-L191 HydrophobicContact CD2-CD1 3.55Å; Y182-L191 HydrophobicContact CE2-CD1 4.43Å; Y182-L191 HydrophobicContact CG-CD1 3.73Å; K183-L191 WeakPolarHBondContact O-CA 3.48Å; I184-L191 HydrophobicContact CD1-CD1 4.35Å; I184-L191 HydrophobicContact CG1-CD1 3.62Å; L191-F193 HydrophobicContact CD1-CE2 4.16Å; L191-F193 HydrophobicContact CD1-CZ 4.21Å; L191-F193 HydrophobicContact CD2-CE2 3.89Å; L191-F193 HydrophobicContact CD2-CZ 4.06Å; L191-F193 HydrophobicContact CG-CD2 4.48Å; L191-F193 HydrophobicContact CG-CE2 3.72Å; L191-F193 HydrophobicContact CG-CZ 4.14Å; L191-Y204 HydrophobicContact CD2-CD1 3.9Å; L191-Y204 HydrophobicContact CD2-CE1 3.93Å |
| 192 | E | 98.1 | Very high | 96.4 | Very high | 76 Ų | 76 | 48.2 Ų | 48.2 | 36% | 0.355 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 132.6 | -176.6 | -172.6 | -175.5 | 177 | 0 | 0 | 110.6 | V143 L144 Y182 K183 | V143-E192 CarbonylContact O-C 3.56Å; V143-E192 WeakPolarHBondContact O-CA 3.45Å; L144-E192 HydrophobicContact CD1-CB 4.25Å; Y182-E192 CarbonylContact C-O 3.59Å; Y182-E192 WeakPolarHBondContact CA-O 3.35Å; Y182-E192 WeakPolarHBondContact CB-O 3.5Å; K183-E192 PolarHBondContact N-O 3.21Å; K183-E192 PolarHBondContact O-N 3.5Å |
| 193 | F | 97.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 104.5 | 166.2 | -62.7 | -94.3 | 0 | 0 | 0 | 107.4 | S142 V143 L145 Y182 L191 F195 D200 Y204 M223 | S142-F193 CarbonylContact C-O 3.53Å; S142-F193 WeakPolarHBondContact CA-O 3.49Å; V143-F193 HydrophobicContact CB-CB 4.45Å; V143-F193 PolarHBondContact N-O 3.07Å; V143-F193 PolarHBondContact O-N 3.1Å; L145-F193 HydrophobicContact CD1-CD2 4.23Å; L145-F193 HydrophobicContact CD1-CE2 4.09Å; L145-F193 HydrophobicContact CD2-CE2 4.4Å; Y182-F193 HydrophobicContact CD1-CE1 4.25Å; Y182-F193 HydrophobicContact CG-CE1 4.33Å; L191-F193 HydrophobicContact CD1-CE2 4.16Å; L191-F193 HydrophobicContact CD1-CZ 4.21Å; L191-F193 HydrophobicContact CD2-CE2 3.89Å; L191-F193 HydrophobicContact CD2-CZ 4.06Å; L191-F193 HydrophobicContact CG-CD2 4.48Å; L191-F193 HydrophobicContact CG-CE2 3.72Å; L191-F193 HydrophobicContact CG-CZ 4.14Å; F193-F195 PolarHBondContact O-N 3.05Å; F193-D200 HydrophobicContact CD1-CB 4.07Å; F193-D200 HydrophobicContact CE1-CB 3.91Å; F193-D200 WeakPolarHBondContact CE1-OD1 3.44Å; F193-Y204 HydrophobicContact CE2-CE1 4.26Å; F193-Y204 AromaticContact CZ-CE1 3.79Å; F193-Y204 HydrophobicContact CZ-CE1 3.79Å; F193-Y204 AromaticContact CZ-CZ 3.89Å; F193-Y204 WeakPolarHBondContact CZ-OH 3.37Å; F193-M223 HydrophobicContact CE2-CE 4.19Å; F193-M223 HydrophobicContact CZ-CE 4.43Å |
| 194 | P | 96.3 | Very high | 96.5 | Very high | 27 Ų | 27 | 44.5 Ų | 44.5 | 18% | 0.175 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -60.4 | -34.8 | 179.9 | -25 | 34.8 | 0 | 0 | 0 | 112.6 | S142 T181 | S142-P194 VanDerWaalsContact CA-O 3.3Å; S142-P194 WeakPolarHBondContact CA-O 3.38Å; S142-P194 WeakPolarHBondContact CB-O 3.43Å; S142-P194 PolarHBondContact N-O 3.38Å; T181-P194 WeakPolarHBondContact O-CD 3.47Å |
| 195 | F | 94.7 | Very high | 96.6 | Very high | 145 Ų | 145 | 43.5 Ų | 43.5 | 64% | 0.636 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -139.6 | 101.5 | 175.6 | -55.5 | -76.9 | 0 | 0 | 0 | 109.1 | F193 | F193-F195 PolarHBondContact O-N 3.05Š|
| 196 | A | 95.6 | Very high | 96.6 | Very high | 5 Ų | 5 | 40.2 Ų | 40.2 | 4% | 0.041 | 21% | 0.211 | C | C | . | . | trans | -64.4 | 136.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | V137 T139 A140 R141 V143 V225 | V137-A196 HydrophobicContact CG1-CB 3.49Å; V137-A196 VanDerWaalsContact CG1-CB 3.49Å; T139-A196 CarbonylContact C-O 3.59Å; T139-A196 WeakPolarHBondContact CA-O 3.4Å; A140-A196 PolarHBondContact N-O 2.89Å; R141-A196 WeakPolarHBondContact O-CB 3.39Å; R141-A196 PolarHBondContact O-N 3.17Å; V143-A196 HydrophobicContact CG2-CB 4.29Å; A196-V225 HydrophobicContact CB-CG1 4.31Å | ||
| 197 | S | 94.8 | Very high | 96.7 | Very high | 34 Ų | 34 | 40.3 Ų | 40.3 | 24% | 0.238 | 21% | 0.209 | C | C | . | . | trans | -121 | 164 | 177.5 | 78.5 | 0 | 0 | 0 | 0 | 110.7 | M199 D200 V225 | S197-M199 PolarHBondContact O-N 2.84Å; S197-M199 PolarHBondContact OG-N 2.88Å; S197-D200 WeakPolarHBondContact CA-OD2 3.39Å; S197-D200 WeakPolarHBondContact CB-OD2 3.31Å; S197-D200 PolarHBondContact N-OD2 3.18Å; S197-D200 WeakPolarHBondContact O-CB 3.18Å; S197-D200 PolarHBondContact O-N 2.86Å; S197-D200 PolarHBondContact OG-OD2 2.99Å; S197-V225 WeakPolarHBondContact O-CG2 3.01Å | ||
| 198 | K | 94.2 | Very high | 96.8 | Very high | 91 Ų | 91 | 35.1 Ų | 35.1 | 40% | 0.396 | 18% | 0.178 | S | C | . | . | G | 310 helix | trans | -56.7 | -32.5 | 175 | -73.9 | -66.7 | -171 | 164.6 | 0 | 113.5 | T139 D200 T201 V225 D227 | T139-K198 HydrophobicContact CG2-CD 4.46Å; T139-K198 HydrophobicContact CG2-CG 4.25Å; K198-D200 PolarHBondContact O-N 3.15Å; K198-T201 WeakPolarHBondContact O-CB 3.46Å; K198-T201 PolarHBondContact O-N 3.14Å; K198-T201 PolarHBondContact O-OG1 2.85Å; K198-T201 VanDerWaalsContact O-OG1 3.11Å; K198-V225 WeakPolarHBondContact CD-O 3.32Å; K198-V225 VanDerWaalsContact CE-O 3.28Å; K198-V225 WeakPolarHBondContact CE-O 3.35Å; K198-V225 PolarHBondContact NZ-O 3.35Å; K198-D227 WeakPolarHBondContact CE-OD1 3.3Å; K198-D227 WeakPolarHBondContact CE-OD2 3.36Å; K198-D227 IonicContact NZ-OD2 3.03Å; K198-D227 PolarHBondContact NZ-OD2 2.9Å |
| 199 | M | 93.5 | Very high | 96.8 | Very high | 102 Ų | 102 | 33 Ų | 33 | 50% | 0.502 | 17% | 0.167 | S | C | . | . | G | 310 helix | trans | -68.4 | -17.1 | 179 | -62.2 | -176.8 | -60.7 | 0 | 0 | 112.9 | K162 N179 S197 T201 | K162-M199 PolarHBondContact NZ-O 3.45Å; N179-M199 HydrophobicContact CB-CE 3.97Å; S197-M199 PolarHBondContact O-N 2.84Å; S197-M199 PolarHBondContact OG-N 2.88Å; M199-T201 PolarHBondContact O-N 3.45Å |
| 200 | D | 95.6 | Very high | 96.7 | Very high | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.011 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -82.1 | -1.6 | 176.7 | -54.7 | -53.3 | 0 | 0 | 0 | 112.1 | F193 S197 K198 G202 Y204 M223 V225 | F193-D200 HydrophobicContact CD1-CB 4.07Å; F193-D200 HydrophobicContact CE1-CB 3.91Å; F193-D200 WeakPolarHBondContact CE1-OD1 3.44Å; S197-D200 WeakPolarHBondContact CA-OD2 3.39Å; S197-D200 WeakPolarHBondContact CB-OD2 3.31Å; S197-D200 PolarHBondContact N-OD2 3.18Å; S197-D200 WeakPolarHBondContact O-CB 3.18Å; S197-D200 PolarHBondContact O-N 2.86Å; S197-D200 PolarHBondContact OG-OD2 2.99Å; K198-D200 PolarHBondContact O-N 3.15Å; D200-G202 PolarHBondContact O-N 2.76Å; D200-Y204 WeakPolarHBondContact O-CE2 3.43Å; D200-Y204 PolarHBondContact O-OH 2.82Å; D200-M223 HydrophobicContact CB-CE 3.98Å; D200-M223 WeakPolarHBondContact O-CE 3.42Å; D200-V225 HydrophobicContact CB-CG2 4.41Å |
| 201 | T | 97.1 | Very high | 96.5 | Very high | 37 Ų | 37 | 34.8 Ų | 34.8 | 23% | 0.227 | 19% | 0.186 | C | C | . | . | trans | -64.2 | 133.6 | 169.9 | -61.1 | 0 | 0 | 0 | 0 | 110.1 | K162 K198 M199 M223 V225 | K162-T201 WeakPolarHBondContact CE-O 3.35Å; K162-T201 PolarHBondContact NZ-O 2.79Å; K198-T201 WeakPolarHBondContact O-CB 3.46Å; K198-T201 PolarHBondContact O-N 3.14Å; K198-T201 PolarHBondContact O-OG1 2.85Å; K198-T201 VanDerWaalsContact O-OG1 3.11Å; M199-T201 PolarHBondContact O-N 3.45Å; T201-M223 WeakPolarHBondContact CA-O 3.44Å; T201-M223 WeakPolarHBondContact CG2-O 3.38Å; T201-V225 PolarHBondContact OG1-N 3.11Å; T201-V225 VanDerWaalsContact OG1-N 3.15Å | ||
| 202 | G | 97.7 | Very high | 96.2 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 165.9 | -179.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | D163 D200 Y204 M223 | D163-G202 WeakPolarHBondContact OD1-CA 3.06Å; D200-G202 PolarHBondContact O-N 2.76Å; G202-Y204 VanDerWaalsContact O-CD2 3.3Å; G202-Y204 WeakPolarHBondContact O-CD2 3.34Å; G202-M223 PolarHBondContact N-O 3.05Å; G202-M223 VanDerWaalsContact N-O 3.14Å; G202-M223 PolarHBondContact O-N 3.38Å |
| 203 | D | 98.5 | Very high | 95.9 | Very high | 59 Ų | 59 | 33.5 Ų | 33.5 | 32% | 0.316 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 114.7 | 179.8 | -58.9 | -24 | 0 | 0 | 0 | 110 | K162 D163 A220 R222 | K162-D203 CarbonylContact C-O 3.57Å; K162-D203 WeakPolarHBondContact CA-O 3.48Å; D163-D203 PolarHBondContact N-O 2.87Å; D163-D203 PolarHBondContact OD1-N 2.91Å; D203-A220 HydrophobicContact CB-CB 4.21Å; D203-R222 WeakPolarHBondContact OD1-CA 3.5Å; D203-R222 WeakPolarHBondContact OD1-CB 3.47Å; D203-R222 VanDerWaalsContact OD1-CG 3.22Å; D203-R222 WeakPolarHBondContact OD1-CG 3.39Å; D203-R222 IonicContact OD1-NH1 2.99Å; D203-R222 PolarHBondContact OD1-NH1 3.28Å; D203-R222 IonicContact OD2-NH1 3.9Å |
| 204 | Y | 98.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 131.6 | -173.7 | -72.4 | -95.2 | 0 | 0 | 0 | 111.5 | L145 Y161 K162 L167 L191 F193 D200 G202 A220 V221 M223 | L145-Y204 HydrophobicContact CD2-CD1 3.62Å; L145-Y204 HydrophobicContact CD2-CD2 4.25Å; L145-Y204 HydrophobicContact CD2-CE1 4.23Å; L145-Y204 HydrophobicContact CD2-CG 3.62Å; Y161-Y204 WeakPolarHBondContact O-CA 3.22Å; K162-Y204 HydrophobicContact CB-CD1 4.34Å; K162-Y204 HydrophobicContact CB-CE1 3.98Å; K162-Y204 HydrophobicContact CD-CE1 4.34Å; K162-Y204 WeakPolarHBondContact CD-OH 3.45Å; K162-Y204 HydrophobicContact CG-CD1 4.46Å; K162-Y204 HydrophobicContact CG-CE1 3.9Å; K162-Y204 HydrophobicContact CG-CE2 4.1Å; L167-Y204 HydrophobicContact CD1-CE1 4.14Å; L191-Y204 HydrophobicContact CD2-CD1 3.9Å; L191-Y204 HydrophobicContact CD2-CE1 3.93Å; F193-Y204 HydrophobicContact CE2-CE1 4.26Å; F193-Y204 AromaticContact CZ-CE1 3.79Å; F193-Y204 HydrophobicContact CZ-CE1 3.79Å; F193-Y204 AromaticContact CZ-CZ 3.89Å; F193-Y204 WeakPolarHBondContact CZ-OH 3.37Å; D200-Y204 WeakPolarHBondContact O-CE2 3.43Å; D200-Y204 PolarHBondContact O-OH 2.82Å; G202-Y204 VanDerWaalsContact O-CD2 3.3Å; G202-Y204 WeakPolarHBondContact O-CD2 3.34Å; Y204-A220 WeakPolarHBondContact O-CA 3.36Å; Y204-V221 PolarHBondContact N-O 2.8Å; Y204-V221 PolarHBondContact O-N 3.32Å; Y204-M223 HydrophobicContact CD2-CB 4.01Å; Y204-M223 HydrophobicContact CD2-CE 4.47Å; Y204-M223 HydrophobicContact CE2-CB 4.07Å; Y204-M223 HydrophobicContact CE2-CE 3.66Å |
| 205 | S | 98.4 | Very high | 95.7 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.007 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 161.7 | 171.5 | 57.6 | 0 | 0 | 0 | 0 | 110.5 | W160 Y161 R217 | W160-S205 VanDerWaalsContact CE3-O 3.32Å; Y161-S205 PolarHBondContact N-O 3.46Å; Y161-S205 PolarHBondContact O-N 2.87Å; S205-R217 PolarHBondContact OG-NH1 2.82Å |
| 206 | C | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 145.5 | -178.6 | 169.7 | 0 | 0 | 0 | 0 | 110.8 | C131 C147 K159 W160 R217 C218 | C131-C206 VanDerWaalsContact SG-CB 3.57Å; C147-C206 HydrophobicContact CB-CB 3.57Å; C147-C206 WeakPolarHBondContact CB-SG 3.46Å; C147-C206 WeakPolarHBondContact SG-CB 3.33Å; C147-C206 CovalentContact SG-SG 2.03Å; C147-C206 PolarHBondContact SG-SG 3.18Å; K159-C206 CarbonylContact O-C 3.44Å; K159-C206 VanDerWaalsContact O-CA 3.22Å; K159-C206 WeakPolarHBondContact O-CA 3.44Å; W160-C206 HydrophobicContact CD2-CB 3.95Å; W160-C206 HydrophobicContact CE3-CB 3.87Å; W160-C206 HydrophobicContact CH2-CB 4.16Å; W160-C206 HydrophobicContact CZ2-CB 4.25Å; W160-C206 HydrophobicContact CZ3-CB 3.97Å; C206-R217 VanDerWaalsContact O-CA 3.29Å; C206-R217 WeakPolarHBondContact O-CA 3.28Å; C206-C218 PolarHBondContact N-SG 3.24Å; C206-C218 PolarHBondContact O-N 2.76Å |
| 207 | E | 97.2 | Very high | 95.7 | Very high | 37 Ų | 37 | 42 Ų | 42 | 17% | 0.173 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 131 | 174 | -166.9 | 179.5 | -115.7 | 0 | 0 | 109.6 | Y158 K159 Y161 V209 R217 | Y158-E207 WeakPolarHBondContact CA-O 3.41Å; K159-E207 HydrophobicContact CB-CB 4.49Å; K159-E207 PolarHBondContact N-O 3.49Å; K159-E207 PolarHBondContact O-N 3.28Å; Y161-E207 HydrophobicContact CE2-CB 3.9Å; E207-V209 HydrophobicContact CG-CG2 3.92Å; E207-V209 WeakPolarHBondContact OE2-CG2 3.44Å; E207-R217 HydrophobicContact CB-CG 3.86Å; E207-R217 HydrophobicContact CG-CG 4.27Å |
| 208 | A | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 133.6 | 169 | 0 | 0 | 0 | 0 | 0 | 109.5 | P126 P129 D149 P156 T157 Y158 A215 | P126-A208 HydrophobicContact CB-CB 3.86Å; P126-A208 HydrophobicContact CG-CB 4.39Å; P129-A208 HydrophobicContact CB-CB 4.24Å; P129-A208 HydrophobicContact CG-CB 4.21Å; D149-A208 HydrophobicContact CB-CB 4.04Å; P156-A208 HydrophobicContact CB-CB 4.05Å; P156-A208 HydrophobicContact CG-CB 4.16Å; T157-A208 WeakPolarHBondContact O-CA 3.21Å; Y158-A208 HydrophobicContact CD1-CB 3.96Å; Y158-A208 HydrophobicContact CE1-CB 3.81Å; A208-A215 HydrophobicContact CB-CB 4.46Å; A208-A215 PolarHBondContact O-N 2.68Å |
| 209 | V | 95.8 | Very high | 95.9 | Very high | 27 Ų | 27 | 44.1 Ų | 44.1 | 16% | 0.164 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 132.5 | -175.7 | -172 | 0 | 0 | 0 | 0 | 110.2 | P156 T157 K159 E207 P214 | P156-V209 CarbonylContact C-O 3.53Å; P156-V209 VanDerWaalsContact CA-O 3.25Å; P156-V209 WeakPolarHBondContact CA-O 3.15Å; P156-V209 WeakPolarHBondContact CB-O 3.4Å; T157-V209 PolarHBondContact N-O 2.8Å; T157-V209 PolarHBondContact O-N 3.24Å; T157-V209 PolarHBondContact OG1-O 3.34Å; K159-V209 HydrophobicContact CD-CG2 4.46Å; E207-V209 HydrophobicContact CG-CG2 3.92Å; E207-V209 WeakPolarHBondContact OE2-CG2 3.44Å; V209-P214 HydrophobicContact CG1-CB 4.36Å; V209-P214 HydrophobicContact CG2-CB 4.06Å |
| 210 | N | 95.3 | Very high | 96.2 | Very high | 20 Ų | 20 | 42.1 Ų | 42.1 | 11% | 0.107 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | -173 | 168.9 | 75.9 | 5.1 | 0 | 0 | 0 | 111.5 | V124 P126 S153 P154 P156 A212 G213 | V124-N210 PolarHBondContact O-ND2 3.13Å; P126-N210 WeakPolarHBondContact CD-OD1 3.39Å; P126-N210 HydrophobicContact CG-CB 4.14Å; S153-N210 PolarHBondContact N-ND2 3.11Å; S153-N210 PolarHBondContact O-ND2 3.44Å; P154-N210 WeakPolarHBondContact O-CB 3.3Å; P154-N210 PolarHBondContact O-ND2 2.93Å; P156-N210 HydrophobicContact CB-CB 4.16Å; N210-A212 PolarHBondContact O-N 3.18Å; N210-A212 WeakPolarHBondContact OD1-CA 3.28Å; N210-A212 VanDerWaalsContact OD1-CB 3.25Å; N210-A212 WeakPolarHBondContact OD1-CB 3.13Å; N210-A212 PolarHBondContact OD1-N 3.45Å; N210-G213 PolarHBondContact N-O 3.38Å; N210-G213 PolarHBondContact O-N 3.28Å; N210-G213 PolarHBondContact OD1-N 3.01Å; N210-G213 PolarHBondContact OD1-O 3.19Å |
| 211 | A | 92.9 | Very high | 96.3 | Very high | 65 Ų | 65 | 44 Ų | 44 | 54% | 0.537 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -17.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L123 | L123-A211 HydrophobicContact CD2-CB 4.07Š|
| 212 | A | 92.8 | Very high | 96.3 | Very high | 28 Ų | 28 | 47.6 Ų | 47.6 | 23% | 0.231 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -20.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L123 V124 P125 N210 | L123-A212 HydrophobicContact CB-CB 3.87Å; V124-A212 VanDerWaalsContact C-CB 3.5Å; P125-A212 HydrophobicContact CB-CB 4.27Å; N210-A212 PolarHBondContact O-N 3.18Å; N210-A212 WeakPolarHBondContact OD1-CA 3.28Å; N210-A212 VanDerWaalsContact OD1-CB 3.25Å; N210-A212 WeakPolarHBondContact OD1-CB 3.13Å; N210-A212 PolarHBondContact OD1-N 3.45Å |
| 213 | G | 91.8 | Very high | 96.4 | Very high | 20 Ų | 20 | 47.5 Ų | 47.5 | 21% | 0.206 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 142 | 177 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | P126 N210 | P126-G213 VanDerWaalsContact CD-O 3.25Å; P126-G213 WeakPolarHBondContact CD-O 3.02Å; N210-G213 PolarHBondContact N-O 3.38Å; N210-G213 PolarHBondContact O-N 3.28Å; N210-G213 PolarHBondContact OD1-N 3.01Å; N210-G213 PolarHBondContact OD1-O 3.19Å |
| 214 | P | 93.9 | Very high | 96.3 | Very high | 84 Ų | 84 | 48.5 Ų | 48.5 | 55% | 0.545 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 149.3 | 173 | 33.7 | -33.7 | 0 | 0 | 0 | 111.8 | V209 | V209-P214 HydrophobicContact CG1-CB 4.36Å; V209-P214 HydrophobicContact CG2-CB 4.06Å |
| 215 | A | 94.4 | Very high | 96.2 | Very high | 10 Ų | 10 | 48.6 Ų | 48.6 | 8% | 0.083 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -84.9 | 168.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | P126 S127 A208 | P126-A215 HydrophobicContact CB-CB 4.04Å; P126-A215 WeakPolarHBondContact O-CB 3.42Å; S127-A215 WeakPolarHBondContact O-CB 2.93Å; A208-A215 HydrophobicContact CB-CB 4.46Å; A208-A215 PolarHBondContact O-N 2.68Å |
| 216 | K | 94.9 | Very high | 96.1 | Very high | 171 Ų | 171 | 52.4 Ų | 52.4 | 74% | 0.743 | 28% | 0.28 | S | S | * | . | P | Polyproline II helix | trans | -62.6 | 144 | 161.4 | -67.9 | -175.2 | 178.8 | -178.6 | 0 | 109.4 | P129 | P129-K216 VanDerWaalsContact CD-O 3.23Å; P129-K216 WeakPolarHBondContact CD-O 3.02Å |
| 217 | R | 96.6 | Very high | 95.7 | Very high | 92 Ų | 92 | 57.5 Ų | 57.5 | 35% | 0.347 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 145.2 | 170.7 | -72.6 | -169.6 | -73 | 140.4 | -5.8 | 110.5 | N164 S205 C206 E207 | N164-R217 PolarHBondContact OD1-NH1 3.45Å; N164-R217 PolarHBondContact OD1-NH2 2.72Å; S205-R217 PolarHBondContact OG-NH1 2.82Å; C206-R217 VanDerWaalsContact O-CA 3.29Å; C206-R217 WeakPolarHBondContact O-CA 3.28Å; E207-R217 HydrophobicContact CB-CG 3.86Å; E207-R217 HydrophobicContact CG-CG 4.27Å |
| 218 | C | 97 | Very high | 95.2 | Very high | 9 Ų | 9 | 59.1 Ų | 59.1 | 6% | 0.061 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 158 | 166.9 | 69.7 | 0 | 0 | 0 | 0 | 110.7 | P129 C131 C206 A220 | P129-C218 HydrophobicContact CG-CB 4.3Å; P129-C218 WeakPolarHBondContact O-CB 3.4Å; C131-C218 HydrophobicContact CB-CB 3.8Å; C131-C218 WeakPolarHBondContact CB-SG 3.19Å; C131-C218 WeakPolarHBondContact SG-CB 3.13Å; C131-C218 CovalentContact SG-SG 2.02Å; C131-C218 PolarHBondContact SG-SG 2.71Å; C206-C218 PolarHBondContact N-SG 3.24Å; C206-C218 PolarHBondContact O-N 2.76Å; C218-A220 PolarHBondContact O-N 3.4Å |
| 219 | E | 96.9 | Very high | 94.5 | Very high | 159 Ų | 159 | 64.8 Ų | 64.8 | 74% | 0.743 | 35% | 0.347 | S | S | * | . | P | Polyproline II helix | trans | -58.1 | 136.4 | 172.8 | -66.2 | -178.4 | 177.7 | 0 | 0 | 110.3 | V221 | E219-V221 PolarHBondContact O-N 3.5Š|
| 220 | A | 98 | Very high | 94 | Very high | 60 Ų | 60 | 67.7 Ų | 67.7 | 50% | 0.496 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -70.9 | 129.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110 | D203 Y204 C218 | D203-A220 HydrophobicContact CB-CB 4.21Å; Y204-A220 WeakPolarHBondContact O-CA 3.36Å; C218-A220 PolarHBondContact O-N 3.4Å |
| 221 | V | 98.4 | Very high | 93.4 | Very high | 43 Ų | 43 | 69.2 Ų | 69.2 | 26% | 0.261 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 126.9 | 178.4 | -178.2 | 0 | 0 | 0 | 0 | 109 | V133 T135 Y204 E219 | V133-V221 HydrophobicContact CB-CB 3.8Å; V133-V221 HydrophobicContact CB-CG1 3.78Å; V133-V221 HydrophobicContact CG1-CB 4.3Å; V133-V221 HydrophobicContact CG1-CG1 4.17Å; V133-V221 HydrophobicContact CG2-CB 4.07Å; T135-V221 HydrophobicContact CG2-CG1 4.29Å; Y204-V221 PolarHBondContact N-O 2.8Å; Y204-V221 PolarHBondContact O-N 3.32Å; E219-V221 PolarHBondContact O-N 3.5Å |
| 222 | R | 98.1 | Very high | 93.1 | Very high | 112 Ų | 112 | 67.9 Ų | 67.9 | 42% | 0.423 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 124.1 | 178.3 | -172.6 | 166.9 | -173.3 | 76.9 | 0.3 | 111.3 | T135 D203 E224 | T135-R222 WeakPolarHBondContact CA-O 3.44Å; D203-R222 WeakPolarHBondContact OD1-CA 3.5Å; D203-R222 WeakPolarHBondContact OD1-CB 3.47Å; D203-R222 VanDerWaalsContact OD1-CG 3.22Å; D203-R222 WeakPolarHBondContact OD1-CG 3.39Å; D203-R222 IonicContact OD1-NH1 2.99Å; D203-R222 PolarHBondContact OD1-NH1 3.28Å; D203-R222 IonicContact OD2-NH1 3.9Å; R222-E224 HydrophobicContact CG-CG 4.1Å; R222-E224 IonicContact CZ-OE1 3.21Å; R222-E224 IonicContact NE-OE1 3.34Å; R222-E224 PolarHBondContact NE-OE1 3.33Å |
| 223 | M | 98 | Very high | 92.9 | Very high | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 124.7 | 168.1 | 178.6 | 173.1 | 76.8 | 0 | 0 | 109.2 | V133 P134 V137 V143 L145 F193 D200 T201 G202 Y204 V225 | V133-M223 HydrophobicContact CG1-CB 3.86Å; P134-M223 WeakPolarHBondContact O-CB 3.41Å; P134-M223 VanDerWaalsContact O-CG 3.31Å; P134-M223 WeakPolarHBondContact O-CG 3.4Å; V137-M223 HydrophobicContact CG2-CG 3.9Å; V137-M223 HydrophobicContact CG2-SD 3.84Å; V143-M223 HydrophobicContact CG1-SD 4.11Å; L145-M223 HydrophobicContact CD1-SD 4.02Å; F193-M223 HydrophobicContact CE2-CE 4.19Å; F193-M223 HydrophobicContact CZ-CE 4.43Å; D200-M223 HydrophobicContact CB-CE 3.98Å; D200-M223 WeakPolarHBondContact O-CE 3.42Å; T201-M223 WeakPolarHBondContact CA-O 3.44Å; T201-M223 WeakPolarHBondContact CG2-O 3.38Å; G202-M223 PolarHBondContact N-O 3.05Å; G202-M223 VanDerWaalsContact N-O 3.14Å; G202-M223 PolarHBondContact O-N 3.38Å; Y204-M223 HydrophobicContact CD2-CB 4.01Å; Y204-M223 HydrophobicContact CD2-CE 4.47Å; Y204-M223 HydrophobicContact CE2-CB 4.07Å; Y204-M223 HydrophobicContact CE2-CE 3.66Å; M223-V225 HydrophobicContact CE-CG2 4.35Å |
| 224 | E | 98 | Very high | 92.9 | Very high | 80 Ų | 80 | 73.8 Ų | 73.8 | 37% | 0.374 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 128 | 174.5 | -58.2 | -158 | 152.5 | 0 | 0 | 111.2 | T135 S136 V137 R222 H226 | T135-E224 PolarHBondContact O-N 3.21Å; S136-E224 CarbonylContact C-O 3.59Å; S136-E224 WeakPolarHBondContact CA-O 3.39Å; V137-E224 PolarHBondContact N-O 3.26Å; R222-E224 HydrophobicContact CG-CG 4.1Å; R222-E224 IonicContact CZ-OE1 3.21Å; R222-E224 IonicContact NE-OE1 3.34Å; R222-E224 PolarHBondContact NE-OE1 3.33Å; E224-H226 IonicContact OE2-CE1 3.97Å |
| 225 | V | 96.7 | Very high | 92.9 | Very high | 3 Ų | 3 | 72.2 Ų | 72.2 | 2% | 0.018 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 122.2 | 178.1 | -172.3 | 0 | 0 | 0 | 0 | 109.6 | V137 T139 A196 S197 K198 D200 T201 M223 | V137-V225 HydrophobicContact CB-CG2 4.18Å; V137-V225 HydrophobicContact CG1-CG1 4.23Å; V137-V225 HydrophobicContact CG1-CG2 4.24Å; V137-V225 CarbonylContact O-C 3.37Å; V137-V225 WeakPolarHBondContact O-CA 3.38Å; T139-V225 HydrophobicContact CG2-CG1 3.68Å; A196-V225 HydrophobicContact CB-CG1 4.31Å; S197-V225 WeakPolarHBondContact O-CG2 3.01Å; K198-V225 WeakPolarHBondContact CD-O 3.32Å; K198-V225 VanDerWaalsContact CE-O 3.28Å; K198-V225 WeakPolarHBondContact CE-O 3.35Å; K198-V225 PolarHBondContact NZ-O 3.35Å; D200-V225 HydrophobicContact CB-CG2 4.41Å; T201-V225 PolarHBondContact OG1-N 3.11Å; T201-V225 VanDerWaalsContact OG1-N 3.15Å; M223-V225 HydrophobicContact CE-CG2 4.35Å |
| 226 | H | 94.9 | Very high | 92.9 | Very high | 81 Ų | 81 | 73.8 Ų | 73.8 | 38% | 0.375 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 148.7 | 179.1 | -57.5 | -69.6 | 0 | 0 | 0 | 111.5 | S136 V137 T138 T139 E224 | S136-H226 PolarHBondContact OG-CD2 2.83Å; V137-H226 PolarHBondContact O-N 2.79Å; T138-H226 CarbonylContact C-O 3.53Å; T138-H226 WeakPolarHBondContact CA-O 3.32Å; T139-H226 WeakPolarHBondContact CG2-O 3.46Å; T139-H226 PolarHBondContact N-O 3.33Å; E224-H226 IonicContact OE2-CE1 3.97Å |
| 227 | D | 90.7 | Very high | 93 | Very high | 106 Ų | 106 | 69.4 Ų | 69.4 | 57% | 0.567 | 40% | 0.401 | S | S | * | . | trans | -72 | 152.1 | 176.7 | -63.6 | -52.9 | 0 | 0 | 0 | 111 | T139 K198 N229 | T139-D227 WeakPolarHBondContact OG1-CA 3.3Å; K198-D227 WeakPolarHBondContact CE-OD1 3.3Å; K198-D227 WeakPolarHBondContact CE-OD2 3.36Å; K198-D227 IonicContact NZ-OD2 3.03Å; K198-D227 PolarHBondContact NZ-OD2 2.9Å; D227-N229 PolarHBondContact O-N 3.11Å | ||
| 228 | I | 85.8 | Confident | 93 | Very high | 71 Ų | 71 | 69.3 Ų | 69.3 | 36% | 0.364 | 41% | 0.406 | S | S | . | . | trans | -61.4 | 134 | 166.8 | -59.2 | 166.9 | 0 | 0 | 0 | 108.2 | T138 T139 T230 I233 | T138-I228 HydrophobicContact CG2-CB 4.41Å; T138-I228 HydrophobicContact CG2-CG1 3.56Å; T139-I228 PolarHBondContact OG1-N 2.86Å; I228-T230 PolarHBondContact O-N 2.58Å; I228-T230 PolarHBondContact O-OG1 3.21Å; I228-I233 HydrophobicContact CG2-CD1 3.6Å | ||
| 229 | N | 83.7 | Confident | 93 | Very high | 119 Ų | 119 | 73.6 Ų | 73.6 | 64% | 0.636 | 43% | 0.432 | S | S | * | . | trans | -72.9 | 72.5 | 176.8 | -174.5 | 7.2 | 0 | 0 | 0 | 111.6 | D227 G231 G232 I233 | D227-N229 PolarHBondContact O-N 3.11Å; N229-G231 VanDerWaalsContact C-N 3.26Å; N229-G231 PolarHBondContact O-N 3.27Å; N229-G232 PolarHBondContact O-N 3.03Å; N229-G232 PolarHBondContact OD1-N 3.42Å; N229-I233 WeakPolarHBondContact O-CG1 3.5Å; N229-I233 PolarHBondContact O-N 2.96Å; N229-I233 VanDerWaalsContact O-N 3.11Å | ||
| 230 | T | 84.9 | Confident | 93.1 | Very high | 89 Ų | 89 | 68.5 Ų | 68.5 | 55% | 0.546 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -59.5 | -37.9 | -178.6 | -51.1 | 0 | 0 | 0 | 0 | 111.6 | I228 G232 I233 V234 | I228-T230 PolarHBondContact O-N 2.58Å; I228-T230 PolarHBondContact O-OG1 3.21Å; T230-G232 PolarHBondContact O-N 3.31Å; T230-I233 PolarHBondContact O-N 3.45Å; T230-V234 HydrophobicContact CG2-CG2 4.1Å; T230-V234 WeakPolarHBondContact O-CB 3.35Å; T230-V234 VanDerWaalsContact O-CG2 3.27Å; T230-V234 WeakPolarHBondContact O-CG2 3.43Å; T230-V234 PolarHBondContact O-N 3.49Å |
| 231 | G | 82.8 | Confident | 93.1 | Very high | 51 Ų | 51 | 70.9 Ų | 70.9 | 53% | 0.526 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.1 | -45.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | N229 A235 | N229-G231 VanDerWaalsContact C-N 3.26Å; N229-G231 PolarHBondContact O-N 3.27Å; G231-A235 VanDerWaalsContact O-CB 3.25Å; G231-A235 WeakPolarHBondContact O-CB 3.25Å; G231-A235 PolarHBondContact O-N 2.94Å |
| 232 | G | 86.6 | Confident | 93 | Very high | 37 Ų | 37 | 73.9 Ų | 73.9 | 38% | 0.381 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -63.7 | -41.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | N229 T230 G236 | N229-G232 PolarHBondContact O-N 3.03Å; N229-G232 PolarHBondContact OD1-N 3.42Å; T230-G232 PolarHBondContact O-N 3.31Å; G232-G236 PolarHBondContact O-N 3Å |
| 233 | I | 88.4 | Confident | 93 | Very high | 97 Ų | 97 | 70.8 Ų | 70.8 | 50% | 0.497 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.1 | -50.7 | 177.8 | -64.5 | 168.1 | 0 | 0 | 0 | 110.5 | I228 N229 T230 A235 G236 V237 | I228-I233 HydrophobicContact CG2-CD1 3.6Å; N229-I233 WeakPolarHBondContact O-CG1 3.5Å; N229-I233 PolarHBondContact O-N 2.96Å; N229-I233 VanDerWaalsContact O-N 3.11Å; T230-I233 PolarHBondContact O-N 3.45Å; I233-A235 PolarHBondContact O-N 3.47Å; I233-G236 PolarHBondContact O-N 3.31Å; I233-V237 HydrophobicContact CG2-CG2 4.49Å; I233-V237 WeakPolarHBondContact O-CG2 3.4Å; I233-V237 PolarHBondContact O-N 3.32Å |
| 234 | V | 91.8 | Very high | 93 | Very high | 75 Ų | 75 | 76.2 Ų | 76.2 | 46% | 0.455 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.4 | -45.7 | -179 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | T230 G236 V237 I238 | T230-V234 HydrophobicContact CG2-CG2 4.1Å; T230-V234 WeakPolarHBondContact O-CB 3.35Å; T230-V234 VanDerWaalsContact O-CG2 3.27Å; T230-V234 WeakPolarHBondContact O-CG2 3.43Å; T230-V234 PolarHBondContact O-N 3.49Å; V234-G236 VanDerWaalsContact C-N 3.35Å; V234-G236 PolarHBondContact O-N 3.29Å; V234-V237 PolarHBondContact O-N 3.49Å; V234-I238 HydrophobicContact CG1-CD1 3.76Å; V234-I238 HydrophobicContact CG1-CG1 4.41Å; V234-I238 VanDerWaalsContact O-CG1 3.3Å; V234-I238 WeakPolarHBondContact O-CG1 3.49Å; V234-I238 PolarHBondContact O-N 2.92Å |
| 235 | A | 93.9 | Very high | 93 | Very high | 52 Ų | 52 | 75.4 Ų | 75.4 | 43% | 0.43 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.8 | -44.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | G231 I233 V237 I238 V239 | G231-A235 VanDerWaalsContact O-CB 3.25Å; G231-A235 WeakPolarHBondContact O-CB 3.25Å; G231-A235 PolarHBondContact O-N 2.94Å; I233-A235 PolarHBondContact O-N 3.47Å; A235-V237 PolarHBondContact O-N 2.97Å; A235-I238 PolarHBondContact O-N 3.33Å; A235-V239 VanDerWaalsContact O-CG2 3.31Å; A235-V239 WeakPolarHBondContact O-CG2 3.31Å; A235-V239 PolarHBondContact O-N 3.49Å |
| 236 | G | 94.8 | Very high | 93.1 | Very high | 42 Ų | 42 | 81.3 Ų | 81.3 | 43% | 0.433 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.1 | -43.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G232 I233 V234 V239 A240 | G232-G236 PolarHBondContact O-N 3Å; I233-G236 PolarHBondContact O-N 3.31Å; V234-G236 VanDerWaalsContact C-N 3.35Å; V234-G236 PolarHBondContact O-N 3.29Å; G236-V239 PolarHBondContact O-N 2.92Å; G236-A240 WeakPolarHBondContact O-CB 3.3Å; G236-A240 PolarHBondContact O-N 3.03Å |
| 237 | V | 96.5 | Very high | 93.2 | Very high | 80 Ų | 80 | 82.9 Ų | 82.9 | 49% | 0.485 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.1 | -44.6 | 176.5 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | I233 V234 A235 V239 A240 L241 | I233-V237 HydrophobicContact CG2-CG2 4.49Å; I233-V237 WeakPolarHBondContact O-CG2 3.4Å; I233-V237 PolarHBondContact O-N 3.32Å; V234-V237 PolarHBondContact O-N 3.49Å; A235-V237 PolarHBondContact O-N 2.97Å; V237-V239 PolarHBondContact O-N 3.18Å; V237-A240 PolarHBondContact O-N 3.44Å; V237-L241 HydrophobicContact CG1-CD1 3.97Å; V237-L241 HydrophobicContact CG1-CG 4.35Å; V237-L241 WeakPolarHBondContact O-CG 3.27Å; V237-L241 PolarHBondContact O-N 2.95Å |
| 238 | I | 97.2 | Very high | 93.4 | Very high | 89 Ų | 89 | 79.7 Ų | 79.7 | 46% | 0.456 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.3 | -47.4 | 178 | -69 | 167.2 | 0 | 0 | 0 | 110.7 | V234 A235 A240 L241 L242 | V234-I238 HydrophobicContact CG1-CD1 3.76Å; V234-I238 HydrophobicContact CG1-CG1 4.41Å; V234-I238 VanDerWaalsContact O-CG1 3.3Å; V234-I238 WeakPolarHBondContact O-CG1 3.49Å; V234-I238 PolarHBondContact O-N 2.92Å; A235-I238 PolarHBondContact O-N 3.33Å; I238-A240 VanDerWaalsContact C-N 3.32Å; I238-A240 PolarHBondContact O-N 3.2Å; I238-L241 PolarHBondContact O-N 2.87Å; I238-L242 HydrophobicContact CG2-CD1 3.95Å; I238-L242 HydrophobicContact CG2-CG 4.37Å; I238-L242 WeakPolarHBondContact O-CG 3.48Å; I238-L242 PolarHBondContact O-N 3.3Å |
| 239 | V | 97.8 | Very high | 93.9 | Very high | 99 Ų | 99 | 82.2 Ų | 82.2 | 60% | 0.6 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.6 | -42.7 | 179 | 172 | 0 | 0 | 0 | 0 | 111.1 | A235 G236 V237 L242 A243 | A235-V239 VanDerWaalsContact O-CG2 3.31Å; A235-V239 WeakPolarHBondContact O-CG2 3.31Å; A235-V239 PolarHBondContact O-N 3.49Å; G236-V239 PolarHBondContact O-N 2.92Å; V237-V239 PolarHBondContact O-N 3.18Å; V239-L242 PolarHBondContact O-N 3.42Å; V239-A243 WeakPolarHBondContact O-CB 3.43Å; V239-A243 PolarHBondContact O-N 2.92Å |
| 240 | A | 97.4 | Very high | 94.5 | Very high | 53 Ų | 53 | 78.2 Ų | 78.2 | 44% | 0.438 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.5 | -43.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | G236 V237 I238 A243 L244 | G236-A240 WeakPolarHBondContact O-CB 3.3Å; G236-A240 PolarHBondContact O-N 3.03Å; V237-A240 PolarHBondContact O-N 3.44Å; I238-A240 VanDerWaalsContact C-N 3.32Å; I238-A240 PolarHBondContact O-N 3.2Å; A240-A243 PolarHBondContact O-N 3.1Å; A240-L244 WeakPolarHBondContact O-CG 3.39Å; A240-L244 PolarHBondContact O-N 3.21Å |
| 241 | L | 97.9 | Very high | 94.9 | Very high | 109 Ų | 109 | 78.3 Ų | 78.3 | 57% | 0.571 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64 | -41.3 | 177.4 | -70.2 | 174.9 | 0 | 0 | 0 | 112 | V237 I238 L244 A245 | V237-L241 HydrophobicContact CG1-CD1 3.97Å; V237-L241 HydrophobicContact CG1-CG 4.35Å; V237-L241 WeakPolarHBondContact O-CG 3.27Å; V237-L241 PolarHBondContact O-N 2.95Å; I238-L241 PolarHBondContact O-N 2.87Å; L241-L244 PolarHBondContact O-N 3.28Å; L241-A245 WeakPolarHBondContact O-CB 3.34Å; L241-A245 PolarHBondContact O-N 2.94Å |
| 242 | L | 97.9 | Very high | 95.5 | Very high | 106 Ų | 106 | 81.9 Ų | 81.9 | 56% | 0.555 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.9 | -43.1 | 175 | -70.9 | 173.9 | 0 | 0 | 0 | 111.6 | I238 V239 A245 L246 | I238-L242 HydrophobicContact CG2-CD1 3.95Å; I238-L242 HydrophobicContact CG2-CG 4.37Å; I238-L242 WeakPolarHBondContact O-CG 3.48Å; I238-L242 PolarHBondContact O-N 3.3Å; V239-L242 PolarHBondContact O-N 3.42Å; L242-A245 PolarHBondContact O-N 2.98Å; L242-L246 WeakPolarHBondContact O-CG 3.45Å; L242-L246 PolarHBondContact O-N 3.42Å |
| 243 | A | 97.8 | Very high | 95.9 | Very high | 47 Ų | 47 | 85 Ų | 85 | 39% | 0.388 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62 | -44.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V239 A240 A245 L246 L247 | V239-A243 WeakPolarHBondContact O-CB 3.43Å; V239-A243 PolarHBondContact O-N 2.92Å; A240-A243 PolarHBondContact O-N 3.1Å; A243-A245 PolarHBondContact O-N 2.99Å; A243-L246 PolarHBondContact O-N 3.31Å; A243-L247 WeakPolarHBondContact O-CB 3.33Å; A243-L247 VanDerWaalsContact O-CG 3.3Å; A243-L247 WeakPolarHBondContact O-CG 3.33Å; A243-L247 PolarHBondContact O-N 3.46Å |
| 244 | L | 97.9 | Very high | 96 | Very high | 115 Ų | 115 | 81.3 Ų | 81.3 | 60% | 0.602 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -63.6 | -39.5 | 176.1 | -71.2 | 173.9 | 0 | 0 | 0 | 112.3 | A240 L241 L247 G248 | A240-L244 WeakPolarHBondContact O-CG 3.39Å; A240-L244 PolarHBondContact O-N 3.21Å; L241-L244 PolarHBondContact O-N 3.28Å; L244-L247 PolarHBondContact O-N 2.94Å; L244-G248 PolarHBondContact O-N 2.96Å |
| 245 | A | 97.8 | Very high | 95.8 | Very high | 63 Ų | 63 | 86.5 Ų | 86.5 | 52% | 0.521 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.8 | -43.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | L241 L242 A243 G248 F249 | L241-A245 WeakPolarHBondContact O-CB 3.34Å; L241-A245 PolarHBondContact O-N 2.94Å; L242-A245 PolarHBondContact O-N 2.98Å; A243-A245 PolarHBondContact O-N 2.99Å; A245-G248 PolarHBondContact O-N 3.48Å; A245-F249 VanDerWaalsContact O-CB 3.31Å; A245-F249 WeakPolarHBondContact O-CB 3.24Å; A245-F249 PolarHBondContact O-N 2.95Å |
| 246 | L | 97.8 | Very high | 95.7 | Very high | 127 Ų | 127 | 93 Ų | 93 | 67% | 0.665 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.2 | -41.5 | 176.3 | -71.2 | 173.5 | 0 | 0 | 0 | 112.2 | L242 A243 F249 G250 | L242-L246 WeakPolarHBondContact O-CG 3.45Å; L242-L246 PolarHBondContact O-N 3.42Å; A243-L246 PolarHBondContact O-N 3.31Å; L246-F249 PolarHBondContact O-N 3.32Å; L246-G250 PolarHBondContact O-N 2.81Å |
| 247 | L | 96.9 | Very high | 95.6 | Very high | 113 Ų | 113 | 96.9 Ų | 96.9 | 59% | 0.592 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.8 | -45.2 | 174 | -71.4 | 173.1 | 0 | 0 | 0 | 111.4 | A243 L244 G250 L251 | A243-L247 WeakPolarHBondContact O-CB 3.33Å; A243-L247 VanDerWaalsContact O-CG 3.3Å; A243-L247 WeakPolarHBondContact O-CG 3.33Å; A243-L247 PolarHBondContact O-N 3.46Å; L244-L247 PolarHBondContact O-N 2.94Å; L247-G250 PolarHBondContact O-N 3.27Å; L247-L251 WeakPolarHBondContact O-CB 3.31Å; L247-L251 VanDerWaalsContact O-CG 3.31Å; L247-L251 WeakPolarHBondContact O-CG 3.31Å; L247-L251 PolarHBondContact O-N 3.28Å |
| 248 | G | 96.4 | Very high | 95 | Very high | 39 Ų | 39 | 95.9 Ų | 95.9 | 40% | 0.402 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.6 | -45.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L244 A245 L251 W252 | L244-G248 PolarHBondContact O-N 2.96Å; A245-G248 PolarHBondContact O-N 3.48Å; G248-L251 PolarHBondContact O-N 3.48Å; G248-W252 WeakPolarHBondContact O-CB 3.23Å; G248-W252 PolarHBondContact O-N 3.48Å |
| 249 | F | 96.4 | Very high | 94.5 | Very high | 124 Ų | 124 | 99.2 Ų | 99.2 | 54% | 0.544 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.5 | -43.4 | 175.3 | -177.5 | -98.2 | 0 | 0 | 0 | 111.9 | A245 L246 L251 W252 Y253 | A245-F249 VanDerWaalsContact O-CB 3.31Å; A245-F249 WeakPolarHBondContact O-CB 3.24Å; A245-F249 PolarHBondContact O-N 2.95Å; L246-F249 PolarHBondContact O-N 3.32Å; F249-L251 PolarHBondContact O-N 2.91Å; F249-W252 HydrophobicContact CD2-CE3 4.05Å; F249-W252 HydrophobicContact CD2-CZ3 4.34Å; F249-W252 AromaticContact CE2-CE3 3.84Å; F249-W252 HydrophobicContact CE2-CE3 3.84Å; F249-W252 AromaticContact CE2-CZ3 3.68Å; F249-W252 HydrophobicContact CE2-CZ3 3.68Å; F249-W252 HydrophobicContact CZ-CE3 4.46Å; F249-W252 HydrophobicContact CZ-CZ3 4.17Å; F249-W252 PolarHBondContact O-N 3.39Å; F249-Y253 VanDerWaalsContact O-CB 3.24Å; F249-Y253 WeakPolarHBondContact O-CB 3.5Å; F249-Y253 PolarHBondContact O-N 3.33Å |
| 250 | G | 95.4 | Very high | 93.7 | Very high | 36 Ų | 36 | 98 Ų | 98 | 37% | 0.371 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.7 | -44.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | L246 L247 Y253 A254 | L246-G250 PolarHBondContact O-N 2.81Å; L247-G250 PolarHBondContact O-N 3.27Å; G250-Y253 PolarHBondContact O-N 3.44Å; G250-A254 VanDerWaalsContact O-CB 3.23Å; G250-A254 WeakPolarHBondContact O-CB 3.47Å; G250-A254 PolarHBondContact O-N 3.39Å |
| 251 | L | 93.8 | Very high | 92.5 | Very high | 90 Ų | 90 | 101.1 Ų | 101.1 | 47% | 0.471 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.5 | -44.1 | 174.4 | -72.3 | 173.5 | 0 | 0 | 0 | 112 | L247 G248 F249 A254 R255 L260 | L247-L251 WeakPolarHBondContact O-CB 3.31Å; L247-L251 VanDerWaalsContact O-CG 3.31Å; L247-L251 WeakPolarHBondContact O-CG 3.31Å; L247-L251 PolarHBondContact O-N 3.28Å; G248-L251 PolarHBondContact O-N 3.48Å; F249-L251 PolarHBondContact O-N 2.91Å; L251-A254 PolarHBondContact O-N 3.16Å; L251-R255 WeakPolarHBondContact O-CG 3.33Å; L251-R255 PolarHBondContact O-N 2.78Å; L251-L260 HydrophobicContact CD2-CD1 4.32Å |
| 252 | W | 94.1 | Very high | 90.9 | Very high | 126 Ų | 126 | 105.7 Ų | 105.7 | 48% | 0.477 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60.2 | -46.2 | 175.8 | 172.5 | 86.9 | 0 | 0 | 0 | 111.6 | G248 F249 R255 R256 | G248-W252 WeakPolarHBondContact O-CB 3.23Å; G248-W252 PolarHBondContact O-N 3.48Å; F249-W252 HydrophobicContact CD2-CE3 4.05Å; F249-W252 HydrophobicContact CD2-CZ3 4.34Å; F249-W252 AromaticContact CE2-CE3 3.84Å; F249-W252 HydrophobicContact CE2-CE3 3.84Å; F249-W252 AromaticContact CE2-CZ3 3.68Å; F249-W252 HydrophobicContact CE2-CZ3 3.68Å; F249-W252 HydrophobicContact CZ-CE3 4.46Å; F249-W252 HydrophobicContact CZ-CZ3 4.17Å; F249-W252 PolarHBondContact O-N 3.39Å; W252-R255 PolarHBondContact O-N 2.82Å; W252-R256 VanDerWaalsContact CH2-NH1 3.27Å; W252-R256 WeakPolarHBondContact O-CB 3.38Å; W252-R256 PolarHBondContact O-N 2.88Å |
| 253 | Y | 95.3 | Very high | 89.2 | Confident | 104 Ų | 104 | 110.6 Ų | 110.6 | 41% | 0.408 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.7 | -46.2 | 177.5 | -176.9 | -93.7 | 0 | 0 | 0 | 111.1 | F249 G250 R255 R256 K257 Y259 | F249-Y253 VanDerWaalsContact O-CB 3.24Å; F249-Y253 WeakPolarHBondContact O-CB 3.5Å; F249-Y253 PolarHBondContact O-N 3.33Å; G250-Y253 PolarHBondContact O-N 3.44Å; Y253-R255 PolarHBondContact O-N 3.38Å; Y253-R256 PolarHBondContact O-N 2.84Å; Y253-R256 VanDerWaalsContact O-N 3.16Å; Y253-K257 HydrophobicContact CD1-CG 4.48Å; Y253-K257 HydrophobicContact CE1-CG 3.98Å; Y253-K257 HydrophobicContact CE2-CG 4.33Å; Y253-K257 PolarHBondContact O-N 2.85Å; Y253-Y259 HydrophobicContact CE1-CE2 4.13Å |
| 254 | A | 91.5 | Very high | 86.9 | Confident | 19 Ų | 19 | 113.9 Ų | 113.9 | 16% | 0.157 | 58% | 0.579 | C | S | . | * | H | α-helix | trans | -62.7 | -38.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G250 L251 G258 Y259 L260 | G250-A254 VanDerWaalsContact O-CB 3.23Å; G250-A254 WeakPolarHBondContact O-CB 3.47Å; G250-A254 PolarHBondContact O-N 3.39Å; L251-A254 PolarHBondContact O-N 3.16Å; A254-G258 PolarHBondContact O-N 2.95Å; A254-Y259 PolarHBondContact O-N 2.89Å; A254-L260 HydrophobicContact CB-CD1 3.89Å; A254-L260 HydrophobicContact CB-CG 3.93Å |
| 255 | R | 87.3 | Confident | 84.9 | Confident | 184 Ų | 184 | 112.3 Ų | 112.3 | 69% | 0.694 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -62.3 | -46.6 | 171.5 | -73.8 | -176 | -177.3 | 149.1 | 1.6 | 111.2 | L251 W252 Y253 K257 G258 L260 | L251-R255 WeakPolarHBondContact O-CG 3.33Å; L251-R255 PolarHBondContact O-N 2.78Å; W252-R255 PolarHBondContact O-N 2.82Å; Y253-R255 PolarHBondContact O-N 3.38Å; R255-K257 VanDerWaalsContact C-N 3.34Å; R255-K257 PolarHBondContact O-N 3.45Å; R255-G258 PolarHBondContact O-N 3.44Å; R255-L260 HydrophobicContact CG-CD1 3.55Å |
| 256 | R | 91.6 | Very high | 82.9 | Confident | 187 Ų | 187 | 114.8 Ų | 114.8 | 71% | 0.706 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65.2 | -35.7 | -177.3 | -171.4 | 175.2 | -178.7 | 175.9 | 0.6 | 112.8 | W252 Y253 | W252-R256 VanDerWaalsContact CH2-NH1 3.27Å; W252-R256 WeakPolarHBondContact O-CB 3.38Å; W252-R256 PolarHBondContact O-N 2.88Å; Y253-R256 PolarHBondContact O-N 2.84Å; Y253-R256 VanDerWaalsContact O-N 3.16Å |
| 257 | K | 92 | Very high | 80.5 | Confident | 124 Ų | 124 | 117.4 Ų | 117.4 | 54% | 0.539 | 61% | 0.605 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.8 | -0.6 | 178.5 | -73.1 | -69.7 | -172.3 | 175.1 | 0 | 114.4 | Y253 R255 Y259 | Y253-K257 HydrophobicContact CD1-CG 4.48Å; Y253-K257 HydrophobicContact CE1-CG 3.98Å; Y253-K257 HydrophobicContact CE2-CG 4.33Å; Y253-K257 PolarHBondContact O-N 2.85Å; R255-K257 VanDerWaalsContact C-N 3.34Å; R255-K257 PolarHBondContact O-N 3.45Å; K257-Y259 VanDerWaalsContact C-N 3.32Å; K257-Y259 HydrophobicContact CB-CD2 3.66Å; K257-Y259 HydrophobicContact CB-CE1 4.43Å; K257-Y259 HydrophobicContact CB-CE2 3.37Å; K257-Y259 HydrophobicContact CB-CG 4.3Å; K257-Y259 HydrophobicContact CG-CE2 3.99Å |
| 258 | G | 84.6 | Confident | 78.2 | Confident | 59 Ų | 59 | 117.8 Ų | 117.8 | 61% | 0.608 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 75.1 | 17.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | A254 R255 L260 | A254-G258 PolarHBondContact O-N 2.95Å; R255-G258 PolarHBondContact O-N 3.44Å; G258-L260 VanDerWaalsContact C-N 3.27Å; G258-L260 PolarHBondContact O-N 2.9Å |
| 259 | Y | 86.8 | Confident | 76.1 | Confident | 159 Ų | 159 | 125.4 Ų | 125.4 | 62% | 0.624 | 64% | 0.636 | S | S | * | * | trans | -75.4 | -16.7 | 177.3 | -59.8 | -44.3 | 0 | 0 | 0 | 113.2 | Y253 A254 K257 | Y253-Y259 HydrophobicContact CE1-CE2 4.13Å; A254-Y259 PolarHBondContact O-N 2.89Å; K257-Y259 VanDerWaalsContact C-N 3.32Å; K257-Y259 HydrophobicContact CB-CD2 3.66Å; K257-Y259 HydrophobicContact CB-CE1 4.43Å; K257-Y259 HydrophobicContact CB-CE2 3.37Å; K257-Y259 HydrophobicContact CB-CG 4.3Å; K257-Y259 HydrophobicContact CG-CE2 3.99Å | ||
| 260 | L | 80.3 | Confident | 73.8 | Confident | 73 Ų | 73 | 125 Ų | 125 | 38% | 0.382 | 65% | 0.646 | S | S | . | * | S | Bend | trans | -96.8 | 124.7 | 175.7 | -70.1 | 168.6 | 0 | 0 | 0 | 109.9 | L251 A254 R255 G258 | L251-L260 HydrophobicContact CD2-CD1 4.32Å; A254-L260 HydrophobicContact CB-CD1 3.89Å; A254-L260 HydrophobicContact CB-CG 3.93Å; R255-L260 HydrophobicContact CG-CD1 3.55Å; G258-L260 VanDerWaalsContact C-N 3.27Å; G258-L260 PolarHBondContact O-N 2.9Å |
| 261 | P | 73.6 | Confident | 71.5 | Confident | 119 Ų | 119 | 128.7 Ų | 128.7 | 77% | 0.773 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 138.5 | 179.3 | 24.5 | -32.3 | 0 | 0 | 0 | 110.5 | K263 | P261-K263 PolarHBondContact O-N 3.44Š|
| 262 | K | 63.6 | Low | 69.6 | Low | 205 Ų | 205 | 130.8 Ų | 130.8 | 89% | 0.891 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 128.2 | 170.6 | -70.2 | -178.2 | -179.8 | 178.8 | 0 | 107.8 | S264 | K262-S264 PolarHBondContact O-N 2.94Š|
| 263 | K | 63.3 | Low | 67.5 | Low | 210 Ų | 210 | 130.8 Ų | 130.8 | 91% | 0.913 | 70% | 0.695 | S | S | * | * | trans | -54.8 | 115.1 | 168.2 | -98.3 | -173.3 | 173.9 | -176.1 | 0 | 107.5 | P261 A265 | P261-K263 PolarHBondContact O-N 3.44Å; K263-A265 PolarHBondContact O-N 3.2Å | ||
| 264 | S | 49.2 | Very low | 65.2 | Low | 116 Ų | 116 | 136.2 Ų | 136.2 | 81% | 0.811 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 121 | 170.1 | -175.8 | 0 | 0 | 0 | 0 | 107.8 | K262 S266 | K262-S264 PolarHBondContact O-N 2.94Å; S264-S266 PolarHBondContact O-N 3.27Å |
| 265 | A | 54.7 | Low | 62.8 | Low | 82 Ų | 82 | 143.3 Ų | 143.3 | 68% | 0.678 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 133.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | K263 Q267 | K263-A265 PolarHBondContact O-N 3.2Å; A265-Q267 PolarHBondContact O-N 3.44Å |
| 266 | S | 56 | Low | 60.9 | Low | 115 Ų | 115 | 140 Ų | 140 | 80% | 0.804 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 125.5 | 172.3 | 54.4 | 0 | 0 | 0 | 0 | 110.4 | S264 | S264-S266 PolarHBondContact O-N 3.27Š|
| 267 | Q | 47.1 | Very low | 58.2 | Low | 182 Ų | 182 | 137.9 Ų | 137.9 | 85% | 0.85 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 142.3 | 172.6 | -73.3 | -147 | -38.7 | 0 | 0 | 111 | A265 | A265-Q267 PolarHBondContact O-N 3.44Š|
| 268 | P | 48.8 | Very low | 56.1 | Low | 121 Ų | 121 | 137.3 Ų | 137.3 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 136.1 | 177.6 | 27.8 | -31 | 0 | 0 | 0 | 111 | ||
| 269 | K | 53.7 | Low | 53.9 | Low | 199 Ų | 199 | 144 Ų | 144 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 133 | 172.7 | -153.9 | 176.5 | -172.9 | -177.7 | 0 | 108.9 | S271 | K269-S271 PolarHBondContact O-N 2.94Š|
| 270 | P | 47.4 | Very low | 51.8 | Low | 116 Ų | 116 | 146.9 Ų | 146.9 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 137.3 | -179.2 | 24.4 | -31.6 | 0 | 0 | 0 | 111.3 | V272 | P270-V272 PolarHBondContact O-N 3.32Š|
| 271 | S | 47.5 | Very low | 49.8 | Very low | 113 Ų | 113 | 146 Ų | 146 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | -63.7 | 114.6 | -179.4 | 41.3 | 0 | 0 | 0 | 0 | 111.7 | K269 | K269-S271 PolarHBondContact O-N 2.94Š| ||
| 272 | V | 54.2 | Low | 48.2 | Very low | 134 Ų | 134 | 147 Ų | 147 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | trans | -80.9 | 114.9 | 162.4 | 178.4 | 0 | 0 | 0 | 0 | 107.2 | P270 | P270-V272 PolarHBondContact O-N 3.32Š| ||
| 273 | V | 48.4 | Very low | 47.2 | Very low | 125 Ų | 125 | 145.5 Ų | 145.5 | 76% | 0.758 | 80% | 0.799 | S | S | * | * | trans | -71 | 122.1 | 170 | 175.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 274 | Y | 47.7 | Very low | 46.3 | Very low | 219 Ų | 219 | 143.3 Ų | 143.3 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | trans | -129.6 | 122.9 | 159.8 | -137.2 | -94.2 | 0 | 0 | 0 | 108.7 | ||||
| 275 | Q | 40.3 | Very low | 46 | Very low | 168 Ų | 168 | 145.3 Ų | 145.3 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -81.4 | 162.2 | 173 | -97.5 | -176.9 | -24.7 | 0 | 0 | 110.7 | ||||
| 276 | P | 48.5 | Very low | 45.1 | Very low | 115 Ų | 115 | 144.9 Ų | 144.9 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | trans | -95.7 | 153.8 | -141.3 | 36.4 | -34.4 | 0 | 0 | 0 | 113.5 | ||||
| 277 | T | 34.2 | Very low | 44.2 | Very low | 142 Ų | 142 | 147.7 Ų | 147.7 | 87% | 0.871 | 80% | 0.797 | S | S | * | * | trans | -125.1 | 118.4 | 151.6 | 43 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 278 | S | 47.7 | Very low | 43.8 | Very low | 112 Ų | 112 | 148.9 Ų | 148.9 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | trans | -61.6 | 128.2 | 167.1 | 50.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 279 | E | 40 | Very low | 43.1 | Very low | 200 Ų | 200 | 152.1 Ų | 152.1 | 94% | 0.935 | 80% | 0.802 | S | S | * | * | trans | -160.5 | 151.3 | 141.3 | -126.5 | 165.4 | 169.6 | 0 | 0 | 112.4 | ||||
| 280 | Y | 42.4 | Very low | 42.5 | Very low | 219 Ų | 219 | 152 Ų | 152 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | trans | -81.7 | 162.7 | -166.8 | -163.1 | -90.5 | 0 | 0 | 0 | 111.2 | ||||
| 281 | G | 38.1 | Very low | 42 | Very low | 54 Ų | 54 | 156.5 Ų | 156.5 | 56% | 0.557 | 81% | 0.812 | S | S | * | * | trans | 117.9 | 106.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 282 | D | 38.6 | Very low | 41.5 | Very low | 139 Ų | 139 | 156.3 Ų | 156.3 | 74% | 0.743 | 81% | 0.811 | S | S | * | * | 93.4 | 109.9 | 76.7 | -72.6 | -25 | 0 | 0 | 0 | 110.8 | |||||
| 283 | E | 43.8 | Very low | 40.7 | Very low | 175 Ų | 175 | 155 Ų | 155 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | 55.4 | 144.9 | 128.4 | -121.1 | 164.5 | -167.2 | 0 | 0 | 123.5 | |||||
| 284 | E | 43.8 | Very low | 40.3 | Very low | 163 Ų | 163 | 158.6 Ų | 158.6 | 76% | 0.762 | 81% | 0.813 | S | S | * | * | trans | 89.9 | 111.3 | 155.2 | -61.8 | -161.2 | 161.7 | 0 | 0 | 121.7 | ||||
| 285 | D | 42.6 | Very low | 40.2 | Very low | 158 Ų | 158 | 154 Ų | 154 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | 40.8 | 127.7 | 119 | -62.9 | -7 | 0 | 0 | 0 | 120.5 | |||||
| 286 | G | 36.7 | Very low | 40.9 | Very low | 73 Ų | 73 | 156 Ų | 156 | 75% | 0.753 | 83% | 0.831 | S | S | * | * | trans | 163.7 | 90.9 | 160.2 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 287 | E | 36.8 | Very low | 40.5 | Very low | 174 Ų | 174 | 158 Ų | 158 | 81% | 0.813 | 84% | 0.835 | S | S | * | * | 60.1 | 114.4 | 125.3 | -150.2 | 175.9 | 170.2 | 0 | 0 | 121.3 | |||||
| 288 | F | 38.1 | Very low | 40.9 | Very low | 208 Ų | 208 | 158.8 Ų | 158.8 | 91% | 0.912 | 83% | 0.833 | S | S | * | * | trans | -74.7 | 122.1 | 168.5 | -118.2 | -101.8 | 0 | 0 | 0 | 111.3 | ||||
| 289 | K | 35.6 | Very low | 40.5 | Very low | 188 Ų | 188 | 161.4 Ų | 161.4 | 82% | 0.817 | 84% | 0.836 | S | S | * | * | trans | -105.9 | 117.4 | 163.4 | -86.2 | -175.6 | 178.7 | 172.7 | 0 | 112.1 | ||||
| 290 | Q | 41.1 | Very low | 40.5 | Very low | 196 Ų | 196 | 159.2 Ų | 159.2 | 92% | 0.916 | 83% | 0.83 | S | S | * | * | trans | -77 | 131.2 | 171.8 | -170.2 | 174.8 | 9.6 | 0 | 0 | 110.1 | ||||
| 291 | K | 35.5 | Very low | 40.4 | Very low | 211 Ų | 211 | 155.4 Ų | 155.4 | 92% | 0.917 | 83% | 0.828 | S | S | * | * | trans | -111.1 | 111.1 | 175 | -140.7 | 176.7 | -173.1 | -178.3 | 0 | 109.8 | ||||
| 292 | S | 38.7 | Very low | 40.6 | Very low | 110 Ų | 110 | 162.2 Ų | 162.2 | 77% | 0.769 | 85% | 0.846 | S | S | * | * | trans | -91.1 | 138.3 | 168.2 | -177.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 293 | S | 36.7 | Very low | 40.7 | Very low | 106 Ų | 106 | 163.9 Ų | 163.9 | 74% | 0.741 | 85% | 0.854 | S | S | * | * | trans | -118 | 109.9 | 177.7 | 166.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 294 | F | 40.6 | Very low | 40.5 | Very low | 200 Ų | 200 | 163 Ų | 163 | 88% | 0.877 | 86% | 0.857 | S | S | * | * | trans | -86.1 | 135.1 | 165 | -128 | -96.1 | 0 | 0 | 0 | 108.4 | ||||
| 295 | V | 44.8 | Very low | 40.2 | Very low | 124 Ų | 124 | 163 Ų | 163 | 75% | 0.752 | 86% | 0.864 | S | S | * | * | trans | -100.5 | 134.6 | 170.5 | 178.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 296 | V | 55.3 | Low | 40 | Very low | 208 Ų | 208 | 163.5 Ų | 163.5 | 100% | 1.261 | 87% | 0.866 | S | S | * | * | trans | -63.9 | 0 | -179.2 | 178.9 | 0 | 0 | 0 | 0 | 111.9 |
Retrieved 296 of 296 residues in 652.3 ms
(Link to these results)