| 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 | 41.9 | Very low | 44.1 | Very low | 250 Ų | 250 | 154 Ų | 154 | 100% | 1.232 | 81% | 0.811 | S | S | * | * | 0 | 103.1 | 0 | -73.2 | 174.8 | 171.5 | 0 | 0 | 106.7 | |||||
| 2 | A | 40.5 | Very low | 44.4 | Very low | 103 Ų | 103 | 156.3 Ų | 156.3 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | trans | -91.4 | 112.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | N4 | A2-N4 PolarHBondContact O-N 3.22Š| ||
| 3 | E | 43.3 | Very low | 44.9 | Very low | 145 Ų | 145 | 149.1 Ų | 149.1 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | trans | -82.9 | 96.6 | 174.6 | -166.7 | 175.2 | 177.9 | 0 | 0 | 108.1 | R5 | E3-R5 HydrophobicContact CG-CG 4.33Å; E3-R5 PolarHBondContact O-N 3.05Å; E3-R5 IonicContact OE1-CZ 3.37Å; E3-R5 IonicContact OE1-NE 2.77Å; E3-R5 PolarHBondContact OE1-NE 3.23Å; E3-R5 IonicContact OE1-NH2 3.91Å; E3-R5 PolarHBondContact OE1-NH2 3.3Å | ||
| 4 | N | 47.5 | Very low | 45.4 | Very low | 149 Ų | 149 | 152.4 Ų | 152.4 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | -69 | 109.4 | 165 | -113 | 2.2 | 0 | 0 | 0 | 107.8 | A2 | A2-N4 PolarHBondContact O-N 3.22Š| ||
| 5 | R | 49.7 | Very low | 46.2 | Very low | 213 Ų | 213 | 147.1 Ų | 147.1 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -115.7 | 108.5 | 160.8 | -80.7 | -174.4 | -172.2 | -162.3 | 2.9 | 108.7 | E3 | E3-R5 HydrophobicContact CG-CG 4.33Å; E3-R5 PolarHBondContact O-N 3.05Å; E3-R5 IonicContact OE1-CZ 3.37Å; E3-R5 IonicContact OE1-NE 2.77Å; E3-R5 PolarHBondContact OE1-NE 3.23Å; E3-R5 IonicContact OE1-NH2 3.91Å; E3-R5 PolarHBondContact OE1-NH2 3.3Å | ||
| 6 | E | 44.5 | Very low | 47.1 | Very low | 156 Ų | 156 | 142.9 Ų | 142.9 | 73% | 0.729 | 75% | 0.751 | S | S | * | * | trans | -41.3 | 149 | 178.2 | -67.5 | -75.2 | 138.2 | 0 | 0 | 114.2 | R8 | E6-R8 PolarHBondContact O-N 2.75Š| ||
| 7 | P | 43.8 | Very low | 47.9 | Very low | 112 Ų | 112 | 141.1 Ų | 141.1 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | -61.9 | 133.5 | 173.5 | 27.9 | -32.2 | 0 | 0 | 0 | 109.2 | G9 | P7-G9 PolarHBondContact O-N 2.67Š| ||
| 8 | R | 48.2 | Very low | 48.7 | Very low | 249 Ų | 249 | 139.5 Ų | 139.5 | 94% | 0.94 | 75% | 0.746 | S | S | * | * | trans | -63.7 | 85 | 169.2 | -69.4 | -178.8 | -172.8 | 176.2 | 1.7 | 108.2 | E6 T10 | E6-R8 PolarHBondContact O-N 2.75Å; R8-T10 PolarHBondContact O-N 2.66Å | ||
| 9 | G | 37.7 | Very low | 49.6 | Very low | 55 Ų | 55 | 136.3 Ų | 136.3 | 57% | 0.567 | 73% | 0.726 | S | S | * | * | trans | -55.7 | 121.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | P7 V11 | P7-G9 PolarHBondContact O-N 2.67Å; G9-V11 WeakPolarHBondContact O-CG2 3.43Å; G9-V11 PolarHBondContact O-N 2.9Å | ||
| 10 | T | 44.5 | Very low | 50.7 | Low | 134 Ų | 134 | 131.5 Ų | 131.5 | 82% | 0.822 | 70% | 0.697 | S | S | * | * | trans | -55.8 | 96.4 | 157.4 | 41.3 | 0 | 0 | 0 | 0 | 106 | R8 E12 | R8-T10 PolarHBondContact O-N 2.66Å; T10-E12 VanDerWaalsContact C-N 3.27Å; T10-E12 PolarHBondContact O-N 2.93Å | ||
| 11 | V | 43.7 | Very low | 51.9 | Low | 128 Ų | 128 | 128.1 Ų | 128.1 | 78% | 0.776 | 68% | 0.682 | S | S | * | * | trans | -64.9 | 99.8 | 172.2 | -154.1 | 0 | 0 | 0 | 0 | 103.9 | G9 A13 | G9-V11 WeakPolarHBondContact O-CG2 3.43Å; G9-V11 PolarHBondContact O-N 2.9Å; V11-A13 PolarHBondContact O-N 2.97Å | ||
| 12 | E | 48 | Very low | 53.4 | Low | 181 Ų | 181 | 120 Ų | 120 | 85% | 0.846 | 64% | 0.643 | S | S | * | * | trans | -64.1 | 76.7 | 155.2 | -73.1 | -167.6 | 148 | 0 | 0 | 105.1 | T10 E14 | T10-E12 VanDerWaalsContact C-N 3.27Å; T10-E12 PolarHBondContact O-N 2.93Å; E12-E14 PolarHBondContact O-N 3.07Å | ||
| 13 | A | 50.6 | Low | 55 | Low | 63 Ų | 63 | 121.5 Ų | 121.5 | 52% | 0.521 | 63% | 0.626 | S | S | . | * | trans | -59.3 | 116 | 173.3 | 0 | 0 | 0 | 0 | 0 | 105.5 | V11 L15 | V11-A13 PolarHBondContact O-N 2.97Å; A13-L15 VanDerWaalsContact C-N 3.34Å; A13-L15 PolarHBondContact O-N 3.47Å | ||
| 14 | E | 51 | Low | 56.4 | Low | 196 Ų | 196 | 121.4 Ų | 121.4 | 92% | 0.916 | 62% | 0.624 | S | S | * | * | trans | -54.6 | 103.3 | 168.8 | -159.8 | 170.7 | -162.3 | 0 | 0 | 106.2 | E12 D16 | E12-E14 PolarHBondContact O-N 3.07Å; E14-D16 PolarHBondContact O-N 3.07Å | ||
| 15 | L | 57.7 | Low | 57.3 | Low | 73 Ų | 73 | 120.3 Ų | 120.3 | 38% | 0.382 | 61% | 0.609 | S | S | . | * | trans | -66.9 | 118.3 | -168.7 | -69.3 | 166.3 | 0 | 0 | 0 | 108.9 | A13 P17 L111 | A13-L15 VanDerWaalsContact C-N 3.34Å; A13-L15 PolarHBondContact O-N 3.47Å; L15-P17 VanDerWaalsContact O-CD 3.25Å; L15-P17 WeakPolarHBondContact O-CD 3.48Å; L15-L111 HydrophobicContact CD1-CD1 4.15Å | ||
| 16 | D | 60.7 | Low | 58.1 | Low | 80 Ų | 80 | 116.6 Ų | 116.6 | 43% | 0.428 | 60% | 0.604 | S | S | . | * | trans | -69.5 | 115.4 | 173.1 | -171.2 | -12.6 | 0 | 0 | 0 | 109.3 | E14 V18 E19 | E14-D16 PolarHBondContact O-N 3.07Å; D16-V18 PolarHBondContact O-N 3.02Å; D16-V18 WeakPolarHBondContact OD1-CB 3.44Å; D16-V18 VanDerWaalsContact OD1-CG2 3.3Å; D16-V18 WeakPolarHBondContact OD1-CG2 3.24Å; D16-V18 PolarHBondContact OD1-N 3.23Å; D16-E19 HydrophobicContact CB-CG 4.27Å; D16-E19 PolarHBondContact O-N 3.39Å | ||
| 17 | P | 60.2 | Low | 59.3 | Low | 112 Ų | 112 | 111 Ų | 111 | 73% | 0.727 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -9.8 | 177.2 | 25.8 | -33.8 | 0 | 0 | 0 | 113.7 | L15 E19 | L15-P17 VanDerWaalsContact O-CD 3.25Å; L15-P17 WeakPolarHBondContact O-CD 3.48Å; P17-E19 VanDerWaalsContact C-N 3.34Å |
| 18 | V | 63 | Low | 60.4 | Low | 112 Ų | 112 | 113 Ų | 113 | 68% | 0.679 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -22.6 | 173.1 | -178.4 | 0 | 0 | 0 | 0 | 112.1 | D16 | D16-V18 PolarHBondContact O-N 3.02Å; D16-V18 WeakPolarHBondContact OD1-CB 3.44Å; D16-V18 VanDerWaalsContact OD1-CG2 3.3Å; D16-V18 WeakPolarHBondContact OD1-CG2 3.24Å; D16-V18 PolarHBondContact OD1-N 3.23Å |
| 19 | E | 66.7 | Low | 60.9 | Low | 78 Ų | 78 | 109 Ų | 109 | 36% | 0.364 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.4 | -26.8 | -171.5 | -64.7 | -165.9 | 139.2 | 0 | 0 | 114.8 | D16 P17 E114 R118 | D16-E19 HydrophobicContact CB-CG 4.27Å; D16-E19 PolarHBondContact O-N 3.39Å; P17-E19 VanDerWaalsContact C-N 3.34Å; E19-E114 PolarHBondContact O-N 2.73Å; E19-E114 VanDerWaalsContact O-N 3.15Å; E19-R118 IonicContact OE1-CZ 2.74Å; E19-R118 IonicContact OE1-NH1 2.55Å; E19-R118 PolarHBondContact OE1-NH1 2.72Å; E19-R118 IonicContact OE1-NH2 2.81Å; E19-R118 PolarHBondContact OE1-NH2 3.2Å; E19-R118 IonicContact OE2-CZ 3.44Å; E19-R118 IonicContact OE2-NH1 3.24Å; E19-R118 PolarHBondContact OE2-NH1 2.69Å; E19-R118 IonicContact OE2-NH2 2.76Å |
| 20 | Y | 70.4 | Confident | 62.1 | Low | 40 Ų | 40 | 110.8 Ų | 110.8 | 16% | 0.157 | 57% | 0.567 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -140.2 | 133.3 | -177.2 | -70.1 | -91 | 0 | 0 | 0 | 112.4 | L111 E112 P113 R118 L121 | Y20-L111 HydrophobicContact CD1-CB 4.14Å; Y20-E112 CarbonylContact C-O 3.59Å; Y20-E112 WeakPolarHBondContact CA-O 3.49Å; Y20-P113 HydrophobicContact CD1-CB 3.99Å; Y20-P113 HydrophobicContact CE1-CB 3.69Å; Y20-P113 HydrophobicContact CE1-CG 4.41Å; Y20-R118 WeakPolarHBondContact OH-CD 3.48Å; Y20-L121 HydrophobicContact CD1-CD1 4.48Å; Y20-L121 HydrophobicContact CE1-CD1 3.79Å; Y20-L121 HydrophobicContact CE1-CG 4.33Å; Y20-L121 HydrophobicContact CE2-CD1 4.3Å |
| 21 | T | 75.8 | Confident | 62.8 | Low | 61 Ų | 61 | 109.8 Ų | 109.8 | 37% | 0.374 | 56% | 0.562 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.3 | 126.8 | 170.5 | -76.4 | 0 | 0 | 0 | 0 | 111.2 | R23 E112 E114 | T21-R23 PolarHBondContact O-N 3.1Å; T21-E112 PolarHBondContact N-O 2.69Å; T21-E112 PolarHBondContact O-N 2.73Å; T21-E114 VanDerWaalsContact CB-OE1 3.25Å; T21-E114 WeakPolarHBondContact CB-OE1 3.17Å; T21-E114 PolarHBondContact OG1-OE1 3.31Å |
| 22 | L | 73.6 | Confident | 64.2 | Low | 79 Ų | 79 | 110.5 Ų | 110.5 | 41% | 0.414 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.1 | 115.6 | 178 | -178.1 | 71.2 | 0 | 0 | 0 | 112.2 | K24 D109 L111 | L22-K24 HydrophobicContact CD2-CG 4.17Å; L22-K24 HydrophobicContact CG-CG 4.24Å; L22-D109 HydrophobicContact CD1-CB 3.67Å; L22-L111 HydrophobicContact CB-CD2 4.21Å; L22-L111 HydrophobicContact CD1-CD2 3.57Å; L22-L111 HydrophobicContact CD1-CG 4.38Å |
| 23 | R | 74.1 | Confident | 65.9 | Low | 135 Ų | 135 | 109.5 Ų | 109.5 | 51% | 0.509 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 107.7 | 168.8 | -66.2 | -165 | 175.1 | -177.9 | -0.5 | 111 | T21 R25 E110 E112 | T21-R23 PolarHBondContact O-N 3.1Å; R23-R25 PolarHBondContact O-N 3.14Å; R23-E110 WeakPolarHBondContact CA-O 3.1Å; R23-E110 HydrophobicContact CB-CB 4.37Å; R23-E110 PolarHBondContact N-O 2.98Å; R23-E110 PolarHBondContact O-N 2.85Å; R23-E112 VanDerWaalsContact CD-CD 3.47Å; R23-E112 VanDerWaalsContact CD-OE1 3.22Å; R23-E112 WeakPolarHBondContact CD-OE1 3.41Å; R23-E112 IonicContact CZ-OE1 3.22Å; R23-E112 IonicContact CZ-OE2 2.88Å; R23-E112 VanDerWaalsContact NE-CD 3.26Å; R23-E112 IonicContact NE-OE1 2.78Å; R23-E112 PolarHBondContact NE-OE1 3.27Å; R23-E112 IonicContact NE-OE2 2.7Å; R23-E112 PolarHBondContact NE-OE2 3.47Å; R23-E112 VanDerWaalsContact NH1-CD 3.34Å; R23-E112 IonicContact NH1-OE1 3.18Å; R23-E112 PolarHBondContact NH1-OE1 3.03Å; R23-E112 IonicContact NH1-OE2 3.54Å; R23-E112 PolarHBondContact NH1-OE2 2.91Å; R23-E112 IonicContact NH2-OE1 2.94Å; R23-E112 IonicContact NH2-OE2 3.57Å; R23-E112 PolarHBondContact NH2-OE2 3.22Å |
| 24 | K | 73.2 | Confident | 67.3 | Low | 143 Ų | 143 | 112.2 Ų | 112.2 | 62% | 0.622 | 55% | 0.552 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -78.4 | 119.2 | 177.9 | -62.1 | -179.2 | -179.6 | 179.2 | 0 | 110.2 | L22 D109 | L22-K24 HydrophobicContact CD2-CG 4.17Å; L22-K24 HydrophobicContact CG-CG 4.24Å; K24-D109 WeakPolarHBondContact CA-OD1 3.43Å |
| 25 | R | 66.7 | Low | 69.1 | Low | 127 Ų | 127 | 104.9 Ų | 104.9 | 48% | 0.479 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -81.2 | 155.4 | 172 | -60.5 | 177.2 | 156.1 | -163.3 | -15.4 | 110.6 | R23 V108 E110 | R23-R25 PolarHBondContact O-N 3.14Å; R25-V108 VanDerWaalsContact CB-O 3.27Å; R25-V108 WeakPolarHBondContact CB-O 3.42Å; R25-E110 IonicContact CZ-OE1 2.87Å; R25-E110 IonicContact CZ-OE2 3.06Å; R25-E110 IonicContact NE-OE1 2.69Å; R25-E110 PolarHBondContact NE-OE1 2.77Å; R25-E110 IonicContact NE-OE2 3.07Å; R25-E110 PolarHBondContact NE-OE2 2.89Å; R25-E110 IonicContact NH1-OE1 3.43Å; R25-E110 PolarHBondContact NH1-OE1 3.05Å; R25-E110 IonicContact NH2-OE1 3.88Å; R25-E110 PolarHBondContact NH2-OE1 2.76Å; R25-E110 IonicContact NH2-OE2 2.73Å; R25-E110 PolarHBondContact NH2-OE2 3.06Å |
| 26 | L | 65.6 | Low | 70.7 | Confident | 135 Ų | 135 | 102.8 Ų | 102.8 | 71% | 0.707 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 142 | 167 | -71.4 | 171.5 | 0 | 0 | 0 | 108.7 | ||
| 27 | P | 70.8 | Confident | 72.3 | Confident | 39 Ų | 39 | 100 Ų | 100 | 25% | 0.253 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -52.2 | 144.8 | 171 | -10 | 12.6 | 0 | 0 | 0 | 110.6 | R29 L74 V105 L107 | P27-R29 PolarHBondContact O-N 2.92Å; P27-R29 VanDerWaalsContact O-N 3.11Å; P27-L74 HydrophobicContact CG-CD2 3.69Å; P27-V105 HydrophobicContact CB-CG1 4.01Å; P27-L107 HydrophobicContact CB-CD2 3.48Å; P27-L107 VanDerWaalsContact CB-CD2 3.48Å; P27-L107 HydrophobicContact CG-CD2 3.44Å; P27-L107 VanDerWaalsContact CG-CD2 3.44Å |
| 28 | N | 66.1 | Low | 73.9 | Confident | 153 Ų | 153 | 98.9 Ų | 98.9 | 82% | 0.818 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 121.3 | 168.8 | -87.7 | -17.1 | 0 | 0 | 0 | 108.6 | L30 | N28-L30 PolarHBondContact O-N 3.03Š|
| 29 | R | 59.5 | Low | 75.4 | Confident | 165 Ų | 165 | 94.2 Ų | 94.2 | 62% | 0.623 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -70.5 | 124.6 | -169.4 | -68.2 | -179.3 | 180 | -178.6 | 3.9 | 109.3 | P27 | P27-R29 PolarHBondContact O-N 2.92Å; P27-R29 VanDerWaalsContact O-N 3.11Å |
| 30 | L | 62.3 | Low | 76.6 | Confident | 92 Ų | 92 | 93.8 Ų | 93.8 | 48% | 0.482 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -56.7 | 151.6 | 158.1 | -65.1 | 173.7 | 0 | 0 | 0 | 109.4 | N28 R32 | N28-L30 PolarHBondContact O-N 3.03Å; L30-R32 PolarHBondContact O-N 2.79Å |
| 31 | P | 59.3 | Low | 77.7 | Confident | 113 Ų | 113 | 96.5 Ų | 96.5 | 73% | 0.734 | 46% | 0.462 | S | S | * | . | P | Polyproline II helix | trans | -54.6 | 124.2 | 177.6 | 19.7 | -30.7 | 0 | 0 | 0 | 110.4 | R33 | P31-R33 PolarHBondContact O-N 2.93Š|
| 32 | R | 73.4 | Confident | 78.5 | Confident | 143 Ų | 143 | 103.3 Ų | 103.3 | 54% | 0.54 | 49% | 0.487 | S | S | . | . | trans | -88.3 | 105.3 | -176.2 | -72.6 | -174 | 171 | -163 | -3.8 | 110.5 | L30 Y38 | L30-R32 PolarHBondContact O-N 2.79Å; R32-Y38 HydrophobicContact CG-CE2 4.14Å | ||
| 33 | R | 82.3 | Confident | 79.5 | Confident | 161 Ų | 161 | 102 Ų | 102 | 61% | 0.608 | 48% | 0.482 | S | S | * | . | trans | -73.4 | 154.7 | 162.2 | -55.6 | 174.4 | 178.2 | -178.1 | -0.8 | 108.6 | P31 N35 D36 | P31-R33 PolarHBondContact O-N 2.93Å; R33-N35 PolarHBondContact O-N 3.02Å; R33-D36 WeakPolarHBondContact CA-OD2 3.38Å; R33-D36 WeakPolarHBondContact CB-OD2 3.41Å; R33-D36 PolarHBondContact N-OD2 3.46Å; R33-D36 PolarHBondContact O-N 3.19Å; R33-D36 VanDerWaalsContact O-N 3.16Å | ||
| 34 | P | 82 | Confident | 80.6 | Confident | 119 Ų | 119 | 100.2 Ų | 100.2 | 77% | 0.773 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -22.6 | 175.4 | -25.6 | 35 | 0 | 0 | 0 | 114 | ||
| 35 | N | 88.5 | Confident | 81.7 | Confident | 43 Ų | 43 | 96 Ų | 96 | 23% | 0.23 | 46% | 0.464 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 2 | -175.2 | -57.3 | 7.3 | 0 | 0 | 0 | 113.3 | R33 C66 E68 Y70 | R33-N35 PolarHBondContact O-N 3.02Å; N35-C66 VanDerWaalsContact CG-SG 3.56Å; N35-C66 PolarHBondContact OD1-SG 2.96Å; N35-E68 PolarHBondContact ND2-O 3.35Å; N35-Y70 PolarHBondContact O-N 3.16Å |
| 36 | D | 91.4 | Very high | 83.1 | Confident | 29 Ų | 29 | 97.5 Ų | 97.5 | 16% | 0.155 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 126.1 | 178.7 | -64.3 | -38.4 | 0 | 0 | 0 | 111.1 | R33 Y38 Y70 H72 | R33-D36 WeakPolarHBondContact CA-OD2 3.38Å; R33-D36 WeakPolarHBondContact CB-OD2 3.41Å; R33-D36 PolarHBondContact N-OD2 3.46Å; R33-D36 PolarHBondContact O-N 3.19Å; R33-D36 VanDerWaalsContact O-N 3.16Å; D36-Y38 HydrophobicContact CB-CE2 4.21Å; D36-Y70 WeakPolarHBondContact OD1-CB 3.32Å; D36-H72 IonicContact OD1-NE2 3.31Å; D36-H72 PolarHBondContact OD1-NE2 3.05Å |
| 37 | I | 93.1 | Very high | 84.6 | Confident | 21 Ų | 21 | 93.4 Ų | 93.4 | 11% | 0.108 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 115.8 | -174.2 | -58.3 | 159.9 | 0 | 0 | 0 | 108.7 | C52 L55 I69 Y70 H72 | I37-C52 HydrophobicContact CD1-CB 4.32Å; I37-L55 HydrophobicContact CD1-CD1 3.61Å; I37-L55 HydrophobicContact CG1-CD1 3.85Å; I37-I69 HydrophobicContact CD1-CB 3.94Å; I37-I69 HydrophobicContact CD1-CD1 3.7Å; I37-I69 HydrophobicContact CD1-CG1 4.27Å; I37-I69 HydrophobicContact CD1-CG2 4.33Å; I37-Y70 PolarHBondContact N-O 3.41Å; I37-H72 PolarHBondContact O-N 2.94Å |
| 38 | Y | 93.4 | Very high | 85.8 | Confident | 89 Ų | 89 | 92.3 Ų | 92.3 | 35% | 0.349 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 114.9 | 177 | -65.7 | -90.8 | 0 | 0 | 0 | 110.5 | R32 D36 H72 | R32-Y38 HydrophobicContact CG-CE2 4.14Å; D36-Y38 HydrophobicContact CB-CE2 4.21Å; Y38-H72 HydrophobicContact CD1-CB 3.8Å; Y38-H72 HydrophobicContact CE1-CB 3.96Å; Y38-H72 AromaticContact CE1-CD2 3.84Å; Y38-H72 HydrophobicContact CG-CB 4.47Å; Y38-H72 AromaticContact CZ-CD2 3.78Å |
| 39 | V | 94.6 | Very high | 87.3 | Confident | 13 Ų | 13 | 86.6 Ų | 86.6 | 8% | 0.079 | 42% | 0.421 | C | S | . | . | trans | -79.4 | 129.2 | 179.3 | 176.5 | 0 | 0 | 0 | 0 | 109.2 | I71 H72 A77 R80 A81 I84 | V39-I71 HydrophobicContact CG2-CG2 3.46Å; V39-I71 VanDerWaalsContact CG2-CG2 3.46Å; V39-H72 PolarHBondContact N-O 3.09Å; V39-A77 HydrophobicContact CG1-CB 4.39Å; V39-A77 WeakPolarHBondContact O-CB 3.45Å; V39-R80 HydrophobicContact CG1-CB 3.97Å; V39-R80 HydrophobicContact CG1-CG 3.69Å; V39-A81 HydrophobicContact CB-CB 4.43Å; V39-A81 HydrophobicContact CG2-CB 4.11Å; V39-I84 HydrophobicContact CG1-CD1 4.32Å; V39-I84 HydrophobicContact CG2-CD1 3.95Å | ||
| 40 | N | 91.6 | Very high | 89 | Confident | 69 Ų | 69 | 81.5 Ų | 81.5 | 37% | 0.369 | 41% | 0.414 | S | S | . | . | trans | -113.8 | 165.9 | 168.4 | 73.8 | 37.6 | 0 | 0 | 0 | 110 | K42 T43 Q48 R80 | N40-K42 PolarHBondContact OD1-N 2.82Å; N40-K42 VanDerWaalsContact OD1-N 3.11Å; N40-T43 PolarHBondContact ND2-OG1 2.77Å; N40-T43 VanDerWaalsContact OD1-CB 3.28Å; N40-T43 WeakPolarHBondContact OD1-CB 3.46Å; N40-T43 PolarHBondContact OD1-N 2.76Å; N40-T43 PolarHBondContact OD1-OG1 2.94Å; N40-Q48 PolarHBondContact O-NE2 3.31Å; N40-Q48 PolarHBondContact OD1-NE2 3.08Å; N40-R80 PolarHBondContact O-NE 3.18Å; N40-R80 PolarHBondContact O-NH1 3.08Å | ||
| 41 | M | 93.6 | Very high | 90.5 | Very high | 97 Ų | 97 | 85 Ų | 85 | 48% | 0.478 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -86.6 | -17.5 | 176.5 | -77.9 | -65.5 | 158.5 | 0 | 0 | 114.6 | L76 A77 R80 | M41-L76 WeakPolarHBondContact CE-O 3.31Å; M41-A77 VanDerWaalsContact CE-CA 3.47Å; M41-A77 HydrophobicContact CE-CB 4.34Å; M41-R80 HydrophobicContact CE-CB 3.34Å; M41-R80 HydrophobicContact CE-CG 4.24Å; M41-R80 PolarHBondContact O-NH1 2.96Å; M41-R80 VanDerWaalsContact O-NH1 3.12Å; M41-R80 HydrophobicContact SD-CB 4.39Å |
| 42 | K | 93.3 | Very high | 92.2 | Very high | 205 Ų | 205 | 79.6 Ų | 79.6 | 89% | 0.891 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -82.4 | -36.4 | -171.7 | -63.5 | -174.3 | 178.6 | -175 | 0 | 113.6 | N40 | N40-K42 PolarHBondContact OD1-N 2.82Å; N40-K42 VanDerWaalsContact OD1-N 3.11Å |
| 43 | T | 93.9 | Very high | 93.2 | Very high | 51 Ų | 51 | 75.7 Ų | 75.7 | 31% | 0.313 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -68.9 | 151.6 | 178.4 | -55.9 | 0 | 0 | 0 | 0 | 109.3 | N40 A47 Q48 R80 | N40-T43 PolarHBondContact ND2-OG1 2.77Å; N40-T43 VanDerWaalsContact OD1-CB 3.28Å; N40-T43 WeakPolarHBondContact OD1-CB 3.46Å; N40-T43 PolarHBondContact OD1-N 2.76Å; N40-T43 PolarHBondContact OD1-OG1 2.94Å; T43-A47 HydrophobicContact CG2-CB 4.4Å; T43-Q48 HydrophobicContact CG2-CG 3.84Å; T43-R80 PolarHBondContact O-NH1 3.43Å; T43-R80 PolarHBondContact O-NH2 2.96Å |
| 44 | D | 96.9 | Very high | 93.7 | Very high | 98 Ų | 98 | 74.6 Ų | 74.6 | 52% | 0.524 | 37% | 0.373 | S | S | . | . | trans | -60.8 | 145 | 173.5 | 170.3 | 59 | 0 | 0 | 0 | 112.3 | K46 A47 Q48 R80 | D44-K46 WeakPolarHBondContact OD2-CA 3.27Å; D44-K46 VanDerWaalsContact OD2-CB 3.27Å; D44-K46 WeakPolarHBondContact OD2-CB 3.42Å; D44-K46 PolarHBondContact OD2-N 2.86Å; D44-A47 HydrophobicContact CB-CB 4.04Å; D44-A47 PolarHBondContact OD2-N 3.08Å; D44-Q48 PolarHBondContact O-N 2.67Å; D44-R80 PolarHBondContact O-NH2 2.98Å | ||
| 45 | F | 97 | Very high | 94.1 | Very high | 54 Ų | 54 | 71.6 Ų | 71.6 | 24% | 0.237 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63.6 | -50.5 | -178.4 | 178 | -94 | 0 | 0 | 0 | 111.8 | A47 Q48 L49 R80 N83 I84 Q87 | F45-A47 VanDerWaalsContact C-N 3.28Å; F45-A47 PolarHBondContact O-N 3.19Å; F45-Q48 PolarHBondContact O-N 3.16Å; F45-Q48 VanDerWaalsContact O-N 3.13Å; F45-L49 HydrophobicContact CE1-CD2 4.33Å; F45-L49 PolarHBondContact O-N 3.18Å; F45-R80 HydrophobicContact CD2-CG 4.15Å; F45-R80 HydrophobicContact CE2-CG 4.41Å; F45-N83 HydrophobicContact CE2-CB 4.12Å; F45-N83 HydrophobicContact CZ-CB 4.43Å; F45-I84 HydrophobicContact CD2-CG1 4.39Å; F45-I84 HydrophobicContact CE2-CG1 3.67Å; F45-I84 HydrophobicContact CZ-CG1 4.16Å; F45-Q87 VanDerWaalsContact CE1-NE2 3.32Å |
| 46 | K | 96.8 | Very high | 94.2 | Very high | 159 Ų | 159 | 69.6 Ų | 69.6 | 69% | 0.691 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -63.1 | -38.4 | -177.6 | -169.1 | 179.9 | -178.5 | 177.8 | 0 | 111 | D44 Q48 L49 A50 | D44-K46 WeakPolarHBondContact OD2-CA 3.27Å; D44-K46 VanDerWaalsContact OD2-CB 3.27Å; D44-K46 WeakPolarHBondContact OD2-CB 3.42Å; D44-K46 PolarHBondContact OD2-N 2.86Å; K46-Q48 PolarHBondContact O-N 3.1Å; K46-L49 PolarHBondContact O-N 3.24Å; K46-A50 VanDerWaalsContact O-CB 3.3Å; K46-A50 WeakPolarHBondContact O-CB 3.45Å; K46-A50 PolarHBondContact O-N 3.24Å |
| 47 | A | 96.5 | Very high | 94.1 | Very high | 49 Ų | 49 | 71.8 Ų | 71.8 | 41% | 0.405 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.9 | -40.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | T43 D44 F45 R51 | T43-A47 HydrophobicContact CG2-CB 4.4Å; D44-A47 HydrophobicContact CB-CB 4.04Å; D44-A47 PolarHBondContact OD2-N 3.08Å; F45-A47 VanDerWaalsContact C-N 3.28Å; F45-A47 PolarHBondContact O-N 3.19Å; A47-R51 WeakPolarHBondContact O-CB 3.43Å; A47-R51 PolarHBondContact O-N 3.16Å; A47-R51 VanDerWaalsContact O-N 3.08Å |
| 48 | Q | 96.5 | Very high | 93.3 | Very high | 16 Ų | 16 | 71.2 Ų | 71.2 | 8% | 0.075 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -69.5 | -42 | 175.8 | -78.1 | -177 | -7.7 | 0 | 0 | 112.2 | N40 T43 D44 F45 K46 R51 C52 I84 | N40-Q48 PolarHBondContact O-NE2 3.31Å; N40-Q48 PolarHBondContact OD1-NE2 3.08Å; T43-Q48 HydrophobicContact CG2-CG 3.84Å; D44-Q48 PolarHBondContact O-N 2.67Å; F45-Q48 PolarHBondContact O-N 3.16Å; F45-Q48 VanDerWaalsContact O-N 3.13Å; K46-Q48 PolarHBondContact O-N 3.1Å; Q48-R51 WeakPolarHBondContact O-CB 3.39Å; Q48-R51 PolarHBondContact O-N 3.09Å; Q48-C52 PolarHBondContact O-N 3.39Å; Q48-C52 PolarHBondContact O-SG 2.84Å; Q48-I84 HydrophobicContact CB-CD1 3.94Å |
| 49 | L | 97.6 | Very high | 91.9 | Very high | 33 Ų | 33 | 68.3 Ų | 68.3 | 17% | 0.173 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.9 | -49.1 | 175.7 | 179.7 | 64.6 | 0 | 0 | 0 | 111.2 | F45 K46 R51 C52 Q53 I84 Q87 L88 | F45-L49 HydrophobicContact CE1-CD2 4.33Å; F45-L49 PolarHBondContact O-N 3.18Å; K46-L49 PolarHBondContact O-N 3.24Å; L49-R51 VanDerWaalsContact C-N 3.26Å; L49-R51 PolarHBondContact O-N 3.48Å; L49-C52 WeakPolarHBondContact O-CB 3.39Å; L49-C52 PolarHBondContact O-N 2.93Å; L49-C52 VanDerWaalsContact O-N 3.09Å; L49-Q53 PolarHBondContact O-N 2.75Å; L49-I84 HydrophobicContact CD1-CG2 4.06Å; L49-Q87 HydrophobicContact CD1-CB 4.05Å; L49-Q87 HydrophobicContact CD2-CB 4.26Å; L49-Q87 VanDerWaalsContact CD2-OE1 3.27Å; L49-L88 HydrophobicContact CD1-CD2 3.75Å; L49-L88 HydrophobicContact CD1-CG 3.79Å |
| 50 | A | 95.1 | Very high | 90.1 | Very high | 58 Ų | 58 | 73 Ų | 73 | 48% | 0.479 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.1 | -36.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | K46 K54 | K46-A50 VanDerWaalsContact O-CB 3.3Å; K46-A50 WeakPolarHBondContact O-CB 3.45Å; K46-A50 PolarHBondContact O-N 3.24Å; A50-K54 VanDerWaalsContact O-CB 3.31Å; A50-K54 WeakPolarHBondContact O-CB 3.21Å; A50-K54 PolarHBondContact O-N 2.99Å |
| 51 | R | 93.4 | Very high | 88.4 | Confident | 164 Ų | 164 | 79.9 Ų | 79.9 | 62% | 0.619 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -63.6 | -45.5 | 173.8 | -177.6 | -173.7 | -63.8 | -149.8 | -1.8 | 111.9 | A47 Q48 L49 Q53 K54 L55 | A47-R51 WeakPolarHBondContact O-CB 3.43Å; A47-R51 PolarHBondContact O-N 3.16Å; A47-R51 VanDerWaalsContact O-N 3.08Å; Q48-R51 WeakPolarHBondContact O-CB 3.39Å; Q48-R51 PolarHBondContact O-N 3.09Å; L49-R51 VanDerWaalsContact C-N 3.26Å; L49-R51 PolarHBondContact O-N 3.48Å; R51-Q53 VanDerWaalsContact C-N 3.35Å; R51-K54 PolarHBondContact O-N 2.8Å; R51-L55 PolarHBondContact O-N 3.34Å; R51-L55 VanDerWaalsContact O-N 3.16Å |
| 52 | C | 95.2 | Very high | 86.8 | Confident | 1 Ų | 1 | 77.5 Ų | 77.5 | 1% | 0.007 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 178.5 | -59.7 | 0 | 0 | 0 | 0 | 110.8 | I37 Q48 L49 K54 L55 L56 I69 I84 L88 | I37-C52 HydrophobicContact CD1-CB 4.32Å; Q48-C52 PolarHBondContact O-N 3.39Å; Q48-C52 PolarHBondContact O-SG 2.84Å; L49-C52 WeakPolarHBondContact O-CB 3.39Å; L49-C52 PolarHBondContact O-N 2.93Å; L49-C52 VanDerWaalsContact O-N 3.09Å; C52-K54 PolarHBondContact O-N 2.87Å; C52-L55 PolarHBondContact O-N 3.04Å; C52-L56 PolarHBondContact O-N 3.3Å; C52-I69 HydrophobicContact CB-CD1 3.88Å; C52-I84 HydrophobicContact CB-CG2 4.27Å; C52-L88 HydrophobicContact CB-CD1 3.73Å; C52-L88 HydrophobicContact CB-CD2 4.29Å |
| 53 | Q | 94.3 | Very high | 85.1 | Confident | 61 Ų | 61 | 74.1 Ų | 74.1 | 29% | 0.285 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59.7 | -46.8 | 176.6 | -171 | 59.5 | 54.3 | 0 | 0 | 111.5 | L49 R51 L55 L56 D57 L88 | L49-Q53 PolarHBondContact O-N 2.75Å; R51-Q53 VanDerWaalsContact C-N 3.35Å; Q53-L55 VanDerWaalsContact C-N 3.26Å; Q53-L55 PolarHBondContact O-N 2.84Å; Q53-L56 WeakPolarHBondContact O-CB 3.48Å; Q53-L56 PolarHBondContact O-N 3.11Å; Q53-L56 VanDerWaalsContact O-N 3.08Å; Q53-D57 WeakPolarHBondContact CG-OD2 3.47Å; Q53-D57 VanDerWaalsContact NE2-CG 3.26Å; Q53-D57 PolarHBondContact NE2-OD1 3.18Å; Q53-D57 PolarHBondContact NE2-OD2 3.06Å; Q53-D57 PolarHBondContact O-N 2.8Å; Q53-L88 HydrophobicContact CB-CD2 4.12Å; Q53-L88 VanDerWaalsContact OE1-CD2 3.25Å |
| 54 | K | 92.1 | Very high | 83.7 | Confident | 137 Ų | 137 | 79 Ų | 79 | 60% | 0.596 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -58.6 | -35.8 | 178.1 | -173.9 | 179.8 | 178.9 | -179.6 | 0 | 113.2 | A50 R51 C52 G58 G59 | A50-K54 VanDerWaalsContact O-CB 3.31Å; A50-K54 WeakPolarHBondContact O-CB 3.21Å; A50-K54 PolarHBondContact O-N 2.99Å; R51-K54 PolarHBondContact O-N 2.8Å; C52-K54 PolarHBondContact O-N 2.87Å; K54-G58 PolarHBondContact O-N 3.49Å; K54-G58 VanDerWaalsContact O-N 3.14Å; K54-G59 PolarHBondContact O-N 2.88Å; K54-G59 VanDerWaalsContact O-N 3.09Å |
| 55 | L | 91.1 | Very high | 82.6 | Confident | 57 Ų | 57 | 76.7 Ų | 76.7 | 30% | 0.298 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -68.8 | -40 | 176.6 | -74.9 | 169.2 | 0 | 0 | 0 | 111.8 | I37 R51 C52 Q53 D57 C66 I69 | I37-L55 HydrophobicContact CD1-CD1 3.61Å; I37-L55 HydrophobicContact CG1-CD1 3.85Å; R51-L55 PolarHBondContact O-N 3.34Å; R51-L55 VanDerWaalsContact O-N 3.16Å; C52-L55 PolarHBondContact O-N 3.04Å; Q53-L55 VanDerWaalsContact C-N 3.26Å; Q53-L55 PolarHBondContact O-N 2.84Å; L55-D57 VanDerWaalsContact C-N 3.35Å; L55-C66 PolarHBondContact O-N 2.94Å; L55-C66 VanDerWaalsContact O-N 3.1Å; L55-I69 HydrophobicContact CB-CG2 4.09Å |
| 56 | L | 91.4 | Very high | 81.7 | Confident | 1 Ų | 1 | 74.9 Ų | 74.9 | 1% | 0.005 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -66.6 | -37.8 | 175 | -73 | 164.1 | 0 | 0 | 0 | 111.6 | C52 Q53 I69 L88 L96 V134 R136 | C52-L56 PolarHBondContact O-N 3.3Å; Q53-L56 WeakPolarHBondContact O-CB 3.48Å; Q53-L56 PolarHBondContact O-N 3.11Å; Q53-L56 VanDerWaalsContact O-N 3.08Å; L56-I69 HydrophobicContact CD1-CD1 3.77Å; L56-I69 HydrophobicContact CD1-CG1 4.31Å; L56-I69 HydrophobicContact CD2-CD1 4.37Å; L56-I69 HydrophobicContact CD2-CG1 4.11Å; L56-I69 HydrophobicContact CD2-CG2 4.14Å; L56-I69 HydrophobicContact CG-CD1 3.89Å; L56-I69 HydrophobicContact CG-CG1 4.18Å; L56-I69 HydrophobicContact CG-CG2 4.23Å; L56-L88 HydrophobicContact CD1-CD1 4.29Å; L56-L88 HydrophobicContact CD1-CD2 4.31Å; L56-L96 HydrophobicContact CD1-CD1 3.81Å; L56-L96 HydrophobicContact CD2-CD2 4.3Å; L56-V134 HydrophobicContact CD1-CG1 4.34Å; L56-R136 PolarHBondContact O-NH2 3.06Å |
| 57 | D | 88.4 | Confident | 81.3 | Confident | 75 Ų | 75 | 71.1 Ų | 71.1 | 40% | 0.401 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -84.6 | -9.9 | -175.8 | -62.6 | -24.8 | 0 | 0 | 0 | 114.3 | Q53 L55 R136 | Q53-D57 WeakPolarHBondContact CG-OD2 3.47Å; Q53-D57 VanDerWaalsContact NE2-CG 3.26Å; Q53-D57 PolarHBondContact NE2-OD1 3.18Å; Q53-D57 PolarHBondContact NE2-OD2 3.06Å; Q53-D57 PolarHBondContact O-N 2.8Å; L55-D57 VanDerWaalsContact C-N 3.35Å; D57-R136 IonicContact OD1-NH2 3.57Å |
| 58 | G | 76.9 | Confident | 81.1 | Confident | 8 Ų | 8 | 70.6 Ų | 70.6 | 8% | 0.082 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 29.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | K54 G62 Q63 | K54-G58 PolarHBondContact O-N 3.49Å; K54-G58 VanDerWaalsContact O-N 3.14Å; G58-G62 CarbonylContact O-C 3.57Å; G58-G62 WeakPolarHBondContact O-CA 3.44Å; G58-G62 PolarHBondContact O-N 2.98Å; G58-Q63 CarbonylContact C-O 3.54Å; G58-Q63 PolarHBondContact O-N 3.44Å |
| 59 | G | 64.2 | Low | 81.1 | Confident | 28 Ų | 28 | 69.9 Ų | 69.9 | 29% | 0.289 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | 62.5 | -170 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | K54 R61 G62 | K54-G59 PolarHBondContact O-N 2.88Å; K54-G59 VanDerWaalsContact O-N 3.09Å; G59-R61 PolarHBondContact O-N 3.37Å; G59-G62 PolarHBondContact O-N 2.89Å |
| 60 | A | 56 | Low | 81 | Confident | 113 Ų | 113 | 70.4 Ų | 70.4 | 93% | 0.934 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -67.1 | -8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 61 | R | 56.6 | Low | 81.1 | Confident | 213 Ų | 213 | 67.6 Ų | 67.6 | 80% | 0.804 | 37% | 0.366 | S | S | * | . | G | 310 helix | trans | -120.1 | 6.3 | -179.8 | -63.6 | -170.2 | -178.7 | -170.4 | 0.4 | 113.3 | G59 Q63 | G59-R61 PolarHBondContact O-N 3.37Å; R61-Q63 HydrophobicContact CB-CG 4.39Å; R61-Q63 PolarHBondContact O-N 3.44Å |
| 62 | G | 60.4 | Low | 81.2 | Confident | 47 Ų | 47 | 60.7 Ų | 60.7 | 49% | 0.485 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64 | 7.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | G58 G59 | G58-G62 CarbonylContact O-C 3.57Å; G58-G62 WeakPolarHBondContact O-CA 3.44Å; G58-G62 PolarHBondContact O-N 2.98Å; G59-G62 PolarHBondContact O-N 2.89Å |
| 63 | Q | 57 | Low | 81.2 | Confident | 134 Ų | 134 | 60.8 Ų | 60.8 | 63% | 0.626 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.6 | 131 | 179 | -66.4 | 174.7 | 6.5 | 0 | 0 | 108.9 | G58 R61 | G58-Q63 CarbonylContact C-O 3.54Å; G58-Q63 PolarHBondContact O-N 3.44Å; R61-Q63 HydrophobicContact CB-CG 4.39Å; R61-Q63 PolarHBondContact O-N 3.44Å |
| 64 | N | 63.7 | Low | 81.2 | Confident | 152 Ų | 152 | 60.4 Ų | 60.4 | 81% | 0.813 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.9 | 32.6 | -176.9 | -49.3 | -32.9 | 0 | 0 | 0 | 114.8 | C66 | N64-C66 PolarHBondContact O-N 3.42Š|
| 65 | A | 73.9 | Confident | 81.4 | Confident | 50 Ų | 50 | 55 Ų | 55 | 41% | 0.413 | 32% | 0.324 | S | S | . | . | trans | -59.8 | 124.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 66 | C | 78.8 | Confident | 81.5 | Confident | 16 Ų | 16 | 59.7 Ų | 59.7 | 11% | 0.108 | 35% | 0.349 | C | S | . | . | trans | -79 | 128.6 | 176.2 | -63.5 | 0 | 0 | 0 | 0 | 109.4 | N35 L55 N64 E68 I69 | N35-C66 VanDerWaalsContact CG-SG 3.56Å; N35-C66 PolarHBondContact OD1-SG 2.96Å; L55-C66 PolarHBondContact O-N 2.94Å; L55-C66 VanDerWaalsContact O-N 3.1Å; N64-C66 PolarHBondContact O-N 3.42Å; C66-E68 WeakPolarHBondContact CB-O 3.38Å; C66-E68 PolarHBondContact O-N 2.99Å; C66-I69 HydrophobicContact CB-CG2 4.05Å | ||
| 67 | S | 88.8 | Confident | 81.8 | Confident | 81 Ų | 81 | 60 Ų | 60 | 57% | 0.566 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -65.3 | -26.6 | 170.2 | 53.7 | 0 | 0 | 0 | 0 | 111.9 | F135 R136 | S67-F135 WeakPolarHBondContact O-CA 3.37Å; S67-R136 PolarHBondContact O-N 3.31Å |
| 68 | E | 93.1 | Very high | 82.2 | Confident | 38 Ų | 38 | 58.1 Ų | 58.1 | 18% | 0.178 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 151.2 | 177 | 63.5 | -179.1 | -149.2 | 0 | 0 | 112.6 | N35 C66 Y70 R133 V134 F135 | N35-E68 PolarHBondContact ND2-O 3.35Å; C66-E68 WeakPolarHBondContact CB-O 3.38Å; C66-E68 PolarHBondContact O-N 2.99Å; E68-Y70 HydrophobicContact CG-CE2 4.1Å; E68-Y70 VanDerWaalsContact OE1-CE2 3.24Å; E68-Y70 WeakPolarHBondContact OE1-CE2 3.36Å; E68-Y70 PolarHBondContact OE1-OH 2.92Å; E68-R133 IonicContact OE2-CZ 3.11Å; E68-R133 IonicContact OE2-NE 2.75Å; E68-R133 PolarHBondContact OE2-NE 3.15Å; E68-R133 IonicContact OE2-NH2 2.67Å; E68-R133 PolarHBondContact OE2-NH2 3.03Å; E68-V134 CarbonylContact C-O 3.57Å; E68-V134 WeakPolarHBondContact CA-O 3.34Å; E68-V134 WeakPolarHBondContact CB-O 3.49Å; E68-F135 HydrophobicContact CB-CB 3.73Å |
| 69 | I | 95.5 | Very high | 83.2 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 156.6 | 170.4 | 61.9 | 173.9 | 0 | 0 | 0 | 110 | I37 C52 L55 L56 C66 I71 L88 V134 | I37-I69 HydrophobicContact CD1-CB 3.94Å; I37-I69 HydrophobicContact CD1-CD1 3.7Å; I37-I69 HydrophobicContact CD1-CG1 4.27Å; I37-I69 HydrophobicContact CD1-CG2 4.33Å; C52-I69 HydrophobicContact CB-CD1 3.88Å; L55-I69 HydrophobicContact CB-CG2 4.09Å; L56-I69 HydrophobicContact CD1-CD1 3.77Å; L56-I69 HydrophobicContact CD1-CG1 4.31Å; L56-I69 HydrophobicContact CD2-CD1 4.37Å; L56-I69 HydrophobicContact CD2-CG1 4.11Å; L56-I69 HydrophobicContact CD2-CG2 4.14Å; L56-I69 HydrophobicContact CG-CD1 3.89Å; L56-I69 HydrophobicContact CG-CG1 4.18Å; L56-I69 HydrophobicContact CG-CG2 4.23Å; C66-I69 HydrophobicContact CB-CG2 4.05Å; I69-I71 HydrophobicContact CD1-CD1 4.48Å; I69-I71 HydrophobicContact CD1-CG1 4.44Å; I69-L88 HydrophobicContact CD1-CD1 4.13Å; I69-V134 HydrophobicContact CD1-CB 4.46Å; I69-V134 HydrophobicContact CG1-CB 3.85Å; I69-V134 HydrophobicContact CG1-CG2 4.39Å; I69-V134 PolarHBondContact N-O 3.46Å; I69-V134 PolarHBondContact O-N 3.21Å |
| 70 | Y | 95.8 | Very high | 84.8 | Confident | 44 Ų | 44 | 63.7 Ų | 63.7 | 17% | 0.173 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 122 | 176.1 | -66.1 | -95.4 | 0 | 0 | 0 | 109.7 | N35 D36 I37 E68 I132 R133 | N35-Y70 PolarHBondContact O-N 3.16Å; D36-Y70 WeakPolarHBondContact OD1-CB 3.32Å; I37-Y70 PolarHBondContact N-O 3.41Å; E68-Y70 HydrophobicContact CG-CE2 4.1Å; E68-Y70 VanDerWaalsContact OE1-CE2 3.24Å; E68-Y70 WeakPolarHBondContact OE1-CE2 3.36Å; E68-Y70 PolarHBondContact OE1-OH 2.92Å; Y70-I132 CarbonylContact C-O 3.53Å; Y70-I132 WeakPolarHBondContact CA-O 3.29Å; Y70-R133 HydrophobicContact CD1-CB 3.91Å; Y70-R133 HydrophobicContact CD1-CG 4.19Å; Y70-R133 HydrophobicContact CE1-CB 3.64Å; Y70-R133 HydrophobicContact CE1-CG 3.57Å |
| 71 | I | 96.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 121.5 | 179.3 | -55 | 175.7 | 0 | 0 | 0 | 108.2 | V39 I69 A81 I84 A85 L88 I132 V134 | V39-I71 HydrophobicContact CG2-CG2 3.46Å; V39-I71 VanDerWaalsContact CG2-CG2 3.46Å; I69-I71 HydrophobicContact CD1-CD1 4.48Å; I69-I71 HydrophobicContact CD1-CG1 4.44Å; I71-A81 HydrophobicContact CG2-CB 3.76Å; I71-I84 HydrophobicContact CD1-CB 4.41Å; I71-I84 HydrophobicContact CD1-CG2 3.75Å; I71-A85 HydrophobicContact CD1-CB 4.21Å; I71-L88 HydrophobicContact CD1-CD1 4.01Å; I71-I132 HydrophobicContact CB-CB 4.4Å; I71-I132 PolarHBondContact N-O 3.14Å; I71-I132 PolarHBondContact O-N 3.21Å; I71-V134 HydrophobicContact CD1-CG2 3.88Å; I71-V134 HydrophobicContact CG1-CG2 4.38Å |
| 72 | H | 96 | Very high | 88.8 | Confident | 19 Ų | 19 | 51 Ų | 51 | 9% | 0.088 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 125.3 | -179.1 | -56.3 | -52.8 | 0 | 0 | 0 | 110.8 | D36 I37 Y38 V39 I130 H131 | D36-H72 IonicContact OD1-NE2 3.31Å; D36-H72 PolarHBondContact OD1-NE2 3.05Å; I37-H72 PolarHBondContact O-N 2.94Å; Y38-H72 HydrophobicContact CD1-CB 3.8Å; Y38-H72 HydrophobicContact CE1-CB 3.96Å; Y38-H72 AromaticContact CE1-CD2 3.84Å; Y38-H72 HydrophobicContact CG-CB 4.47Å; Y38-H72 AromaticContact CZ-CD2 3.78Å; V39-H72 PolarHBondContact N-O 3.09Å; H72-I130 WeakPolarHBondContact CA-O 3.47Å; H72-H131 AromaticContact CE1-ND1 3.34Å; H72-H131 PolarHBondContact CE1-ND1 2.7Å; H72-H131 VanDerWaalsContact CE1-ND1 3.34Å; H72-H131 AromaticContact CG-ND1 3.88Å; H72-H131 AromaticContact ND1-CE1 3.95Å; H72-H131 AromaticContact ND1-CG 3.59Å; H72-H131 AromaticContact ND1-ND1 2.88Å; H72-H131 PolarHBondContact ND1-ND1 2.88Å |
| 73 | G | 95.4 | Very high | 90.6 | Very high | 2 Ų | 2 | 52 Ų | 52 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 130.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | A129 I130 | G73-A129 CarbonylContact O-C 3.57Å; G73-A129 VanDerWaalsContact O-CA 3.26Å; G73-A129 WeakPolarHBondContact O-CA 3.22Å; G73-I130 PolarHBondContact N-O 3.04Å; G73-I130 PolarHBondContact O-N 2.88Å |
| 74 | L | 94.6 | Very high | 92.6 | Very high | 53 Ų | 53 | 45.6 Ų | 45.6 | 28% | 0.277 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 127.5 | 176.4 | -179.2 | 69.9 | 0 | 0 | 0 | 110 | P27 L76 A77 V105 L107 N127 A129 | P27-L74 HydrophobicContact CG-CD2 3.69Å; L74-L76 PolarHBondContact O-N 3.08Å; L74-L76 VanDerWaalsContact O-N 3.15Å; L74-A77 WeakPolarHBondContact O-CB 3.42Å; L74-A77 PolarHBondContact O-N 2.9Å; L74-V105 HydrophobicContact CD1-CB 3.75Å; L74-V105 HydrophobicContact CD1-CG1 4.2Å; L74-V105 HydrophobicContact CD1-CG2 4.02Å; L74-L107 HydrophobicContact CD2-CD1 4.34Å; L74-L107 HydrophobicContact CD2-CD2 4.11Å; L74-N127 HydrophobicContact CD1-CB 3.66Å; L74-N127 HydrophobicContact CG-CB 4.19Å; L74-A129 HydrophobicContact CD1-CB 4.05Å |
| 75 | G | 94.7 | Very high | 94.3 | Very high | 23 Ų | 23 | 38.5 Ų | 38.5 | 24% | 0.237 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | 50.8 | -117.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A77 I78 S128 | G75-A77 PolarHBondContact O-N 3.3Å; G75-I78 VanDerWaalsContact O-CB 3.31Å; G75-I78 WeakPolarHBondContact O-CB 3.37Å; G75-I78 WeakPolarHBondContact O-CD1 3.32Å; G75-I78 WeakPolarHBondContact O-CG1 3.33Å; G75-I78 PolarHBondContact O-N 3.28Å; G75-S128 PolarHBondContact N-O 3.27Å |
| 76 | L | 94.5 | Very high | 95.4 | Very high | 157 Ų | 157 | 40.4 Ų | 40.4 | 82% | 0.822 | 22% | 0.222 | S | C | * | . | G | 310 helix | trans | -52.4 | -31.4 | 178.5 | -63.3 | 175.7 | 0 | 0 | 0 | 113.3 | M41 L74 I78 | M41-L76 WeakPolarHBondContact CE-O 3.31Å; L74-L76 PolarHBondContact O-N 3.08Å; L74-L76 VanDerWaalsContact O-N 3.15Å; L76-I78 PolarHBondContact O-N 2.84Å |
| 77 | A | 96.3 | Very high | 96.4 | Very high | 8 Ų | 8 | 43.4 Ų | 43.4 | 7% | 0.066 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -71.9 | -10.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | V39 M41 L74 G75 R80 A81 | V39-A77 HydrophobicContact CG1-CB 4.39Å; V39-A77 WeakPolarHBondContact O-CB 3.45Å; M41-A77 VanDerWaalsContact CE-CA 3.47Å; M41-A77 HydrophobicContact CE-CB 4.34Å; L74-A77 WeakPolarHBondContact O-CB 3.42Å; L74-A77 PolarHBondContact O-N 2.9Å; G75-A77 PolarHBondContact O-N 3.3Å; A77-R80 PolarHBondContact O-N 2.85Å; A77-A81 PolarHBondContact O-N 3.39Å |
| 78 | I | 97.8 | Very high | 96.8 | Very high | 34 Ų | 34 | 39.6 Ų | 39.6 | 17% | 0.174 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.8 | -52.4 | -178 | -71.1 | 169.3 | 0 | 0 | 0 | 111.7 | G75 L76 R80 A81 I82 I130 | G75-I78 VanDerWaalsContact O-CB 3.31Å; G75-I78 WeakPolarHBondContact O-CB 3.37Å; G75-I78 WeakPolarHBondContact O-CD1 3.32Å; G75-I78 WeakPolarHBondContact O-CG1 3.33Å; G75-I78 PolarHBondContact O-N 3.28Å; L76-I78 PolarHBondContact O-N 2.84Å; I78-R80 PolarHBondContact O-N 2.82Å; I78-A81 WeakPolarHBondContact O-CB 3.38Å; I78-A81 PolarHBondContact O-N 2.76Å; I78-A81 VanDerWaalsContact O-N 3.08Å; I78-I82 HydrophobicContact CG2-CD1 3.75Å; I78-I82 HydrophobicContact CG2-CG1 4.46Å; I78-I82 WeakPolarHBondContact O-CG1 3.49Å; I78-I82 PolarHBondContact O-N 2.88Å; I78-I130 HydrophobicContact CB-CG2 4.25Å; I78-I130 HydrophobicContact CG1-CB 4.36Å; I78-I130 HydrophobicContact CG1-CG2 4Å; I78-I130 HydrophobicContact CG2-CB 4.34Å; I78-I130 HydrophobicContact CG2-CG2 4.01Å |
| 79 | N | 98 | Very high | 97 | Very high | 129 Ų | 129 | 40.9 Ų | 40.9 | 69% | 0.69 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -59.1 | -36 | -177.5 | -72 | -15.1 | 0 | 0 | 0 | 112.1 | N83 | N79-N83 WeakPolarHBondContact O-CB 3.43Å; N79-N83 PolarHBondContact O-N 2.98Å |
| 80 | R | 98.1 | Very high | 97 | Very high | 25 Ų | 25 | 44.6 Ų | 44.6 | 9% | 0.094 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -73.2 | -39.7 | 177.9 | -174.9 | 172 | 172 | 170.1 | -0.3 | 112.4 | V39 N40 M41 T43 D44 F45 A77 I78 I82 N83 I84 | V39-R80 HydrophobicContact CG1-CB 3.97Å; V39-R80 HydrophobicContact CG1-CG 3.69Å; N40-R80 PolarHBondContact O-NE 3.18Å; N40-R80 PolarHBondContact O-NH1 3.08Å; M41-R80 HydrophobicContact CE-CB 3.34Å; M41-R80 HydrophobicContact CE-CG 4.24Å; M41-R80 PolarHBondContact O-NH1 2.96Å; M41-R80 VanDerWaalsContact O-NH1 3.12Å; M41-R80 HydrophobicContact SD-CB 4.39Å; T43-R80 PolarHBondContact O-NH1 3.43Å; T43-R80 PolarHBondContact O-NH2 2.96Å; D44-R80 PolarHBondContact O-NH2 2.98Å; F45-R80 HydrophobicContact CD2-CG 4.15Å; F45-R80 HydrophobicContact CE2-CG 4.41Å; A77-R80 PolarHBondContact O-N 2.85Å; I78-R80 PolarHBondContact O-N 2.82Å; R80-I82 VanDerWaalsContact C-N 3.31Å; R80-I82 PolarHBondContact O-N 3.41Å; R80-N83 PolarHBondContact O-N 3.3Å; R80-I84 HydrophobicContact CG-CD1 4.32Å; R80-I84 WeakPolarHBondContact O-CG1 3.5Å; R80-I84 PolarHBondContact O-N 3.5Å |
| 81 | A | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.2 | -44.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | V39 I71 A77 I78 I84 A85 I130 I132 | V39-A81 HydrophobicContact CB-CB 4.43Å; V39-A81 HydrophobicContact CG2-CB 4.11Å; I71-A81 HydrophobicContact CG2-CB 3.76Å; A77-A81 PolarHBondContact O-N 3.39Å; I78-A81 WeakPolarHBondContact O-CB 3.38Å; I78-A81 PolarHBondContact O-N 2.76Å; I78-A81 VanDerWaalsContact O-N 3.08Å; A81-I84 PolarHBondContact O-N 2.99Å; A81-A85 PolarHBondContact O-N 3.38Å; A81-I130 HydrophobicContact CB-CG2 4.13Å; A81-I132 HydrophobicContact CB-CD1 4.34Å |
| 82 | I | 98.5 | Very high | 96.8 | Very high | 58 Ų | 58 | 45.3 Ų | 45.3 | 30% | 0.297 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.6 | -49 | 174.9 | -65.8 | 167.6 | 0 | 0 | 0 | 110.5 | I78 R80 I84 A85 L86 I130 I132 | I78-I82 HydrophobicContact CG2-CD1 3.75Å; I78-I82 HydrophobicContact CG2-CG1 4.46Å; I78-I82 WeakPolarHBondContact O-CG1 3.49Å; I78-I82 PolarHBondContact O-N 2.88Å; R80-I82 VanDerWaalsContact C-N 3.31Å; R80-I82 PolarHBondContact O-N 3.41Å; I82-I84 VanDerWaalsContact C-N 3.35Å; I82-I84 PolarHBondContact O-N 3.04Å; I82-A85 PolarHBondContact O-N 2.99Å; I82-L86 HydrophobicContact CG2-CD1 3.77Å; I82-L86 HydrophobicContact CG2-CG 4.22Å; I82-L86 WeakPolarHBondContact O-CG 3.46Å; I82-L86 PolarHBondContact O-N 3.21Å; I82-I130 HydrophobicContact CD1-CD1 4.02Å; I82-I130 HydrophobicContact CG1-CD1 3.85Å; I82-I132 HydrophobicContact CB-CD1 4.45Å; I82-I132 HydrophobicContact CG1-CD1 3.98Å |
| 83 | N | 98.5 | Very high | 96.6 | Very high | 69 Ų | 69 | 53.6 Ų | 53.6 | 37% | 0.369 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.2 | -43.2 | -179.2 | -169.2 | 5 | 0 | 0 | 0 | 112.1 | F45 N79 R80 A85 L86 Q87 | F45-N83 HydrophobicContact CE2-CB 4.12Å; F45-N83 HydrophobicContact CZ-CB 4.43Å; N79-N83 WeakPolarHBondContact O-CB 3.43Å; N79-N83 PolarHBondContact O-N 2.98Å; R80-N83 PolarHBondContact O-N 3.3Å; N83-A85 PolarHBondContact O-N 3.49Å; N83-L86 PolarHBondContact O-N 3.36Å; N83-Q87 WeakPolarHBondContact O-CB 3.46Å; N83-Q87 WeakPolarHBondContact O-CG 3.31Å; N83-Q87 PolarHBondContact O-N 2.87Å; N83-Q87 PolarHBondContact OD1-NE2 2.98Å |
| 84 | I | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.9 | -48.6 | 175.3 | -67.1 | 168.3 | 0 | 0 | 0 | 110.5 | V39 F45 Q48 L49 C52 I71 R80 A81 I82 L86 Q87 L88 | V39-I84 HydrophobicContact CG1-CD1 4.32Å; V39-I84 HydrophobicContact CG2-CD1 3.95Å; F45-I84 HydrophobicContact CD2-CG1 4.39Å; F45-I84 HydrophobicContact CE2-CG1 3.67Å; F45-I84 HydrophobicContact CZ-CG1 4.16Å; Q48-I84 HydrophobicContact CB-CD1 3.94Å; L49-I84 HydrophobicContact CD1-CG2 4.06Å; C52-I84 HydrophobicContact CB-CG2 4.27Å; I71-I84 HydrophobicContact CD1-CB 4.41Å; I71-I84 HydrophobicContact CD1-CG2 3.75Å; R80-I84 HydrophobicContact CG-CD1 4.32Å; R80-I84 WeakPolarHBondContact O-CG1 3.5Å; R80-I84 PolarHBondContact O-N 3.5Å; A81-I84 PolarHBondContact O-N 2.99Å; I82-I84 VanDerWaalsContact C-N 3.35Å; I82-I84 PolarHBondContact O-N 3.04Å; I84-L86 PolarHBondContact O-N 2.87Å; I84-Q87 PolarHBondContact O-N 3.01Å; I84-L88 HydrophobicContact CG2-CD1 3.97Å; I84-L88 HydrophobicContact CG2-CG 4.42Å; I84-L88 WeakPolarHBondContact O-CG 3.26Å; I84-L88 PolarHBondContact O-N 3.22Å |
| 85 | A | 98.5 | Very high | 96.4 | Very high | 2 Ų | 2 | 54.7 Ų | 54.7 | 2% | 0.017 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61 | -43.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I71 A81 I82 N83 L88 Q89 V98 I132 V134 | I71-A85 HydrophobicContact CD1-CB 4.21Å; A81-A85 PolarHBondContact O-N 3.38Å; I82-A85 PolarHBondContact O-N 2.99Å; N83-A85 PolarHBondContact O-N 3.49Å; A85-L88 PolarHBondContact O-N 3.13Å; A85-Q89 WeakPolarHBondContact O-CB 3.39Å; A85-Q89 PolarHBondContact O-N 3.15Å; A85-V98 HydrophobicContact CB-CG1 4.33Å; A85-I132 HydrophobicContact CB-CB 4.37Å; A85-I132 HydrophobicContact CB-CD1 3.89Å; A85-I132 HydrophobicContact CB-CG2 3.68Å; A85-V134 HydrophobicContact CB-CG2 4.22Å |
| 86 | L | 98.5 | Very high | 96.4 | Very high | 91 Ų | 91 | 54 Ų | 54 | 48% | 0.476 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.9 | -39 | 178.3 | -67.8 | 177.4 | 0 | 0 | 0 | 112.2 | I82 N83 I84 Q89 A90 | I82-L86 HydrophobicContact CG2-CD1 3.77Å; I82-L86 HydrophobicContact CG2-CG 4.22Å; I82-L86 WeakPolarHBondContact O-CG 3.46Å; I82-L86 PolarHBondContact O-N 3.21Å; N83-L86 PolarHBondContact O-N 3.36Å; I84-L86 PolarHBondContact O-N 2.87Å; L86-Q89 PolarHBondContact O-N 3.03Å; L86-A90 WeakPolarHBondContact O-CB 3.2Å; L86-A90 PolarHBondContact O-N 2.93Å |
| 87 | Q | 98.3 | Very high | 96.6 | Very high | 78 Ų | 78 | 51 Ų | 51 | 36% | 0.364 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.5 | -38.4 | 176.2 | -73.1 | -170.5 | 33.6 | 0 | 0 | 112.5 | F45 L49 N83 I84 G91 | F45-Q87 VanDerWaalsContact CE1-NE2 3.32Å; L49-Q87 HydrophobicContact CD1-CB 4.05Å; L49-Q87 HydrophobicContact CD2-CB 4.26Å; L49-Q87 VanDerWaalsContact CD2-OE1 3.27Å; N83-Q87 WeakPolarHBondContact O-CB 3.46Å; N83-Q87 WeakPolarHBondContact O-CG 3.31Å; N83-Q87 PolarHBondContact O-N 2.87Å; N83-Q87 PolarHBondContact OD1-NE2 2.98Å; I84-Q87 PolarHBondContact O-N 3.01Å; Q87-G91 PolarHBondContact O-N 2.81Å |
| 88 | L | 97.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.1 | -46.5 | 172.5 | -68.8 | 169.4 | 0 | 0 | 0 | 111 | L49 C52 Q53 L56 I69 I71 I84 A85 G91 S92 L96 | L49-L88 HydrophobicContact CD1-CD2 3.75Å; L49-L88 HydrophobicContact CD1-CG 3.79Å; C52-L88 HydrophobicContact CB-CD1 3.73Å; C52-L88 HydrophobicContact CB-CD2 4.29Å; Q53-L88 HydrophobicContact CB-CD2 4.12Å; Q53-L88 VanDerWaalsContact OE1-CD2 3.25Å; L56-L88 HydrophobicContact CD1-CD1 4.29Å; L56-L88 HydrophobicContact CD1-CD2 4.31Å; I69-L88 HydrophobicContact CD1-CD1 4.13Å; I71-L88 HydrophobicContact CD1-CD1 4.01Å; I84-L88 HydrophobicContact CG2-CD1 3.97Å; I84-L88 HydrophobicContact CG2-CG 4.42Å; I84-L88 WeakPolarHBondContact O-CG 3.26Å; I84-L88 PolarHBondContact O-N 3.22Å; A85-L88 PolarHBondContact O-N 3.13Å; L88-G91 PolarHBondContact O-N 3.35Å; L88-S92 WeakPolarHBondContact O-CB 3.38Å; L88-S92 PolarHBondContact O-N 3.33Å; L88-S92 VanDerWaalsContact O-N 3.1Å; L88-L96 HydrophobicContact CB-CD1 4.28Å |
| 89 | Q | 97.1 | Very high | 96.7 | Very high | 65 Ų | 65 | 53.1 Ų | 53.1 | 30% | 0.304 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60.5 | -49.7 | 178.6 | -172.4 | 177.4 | 30 | 0 | 0 | 111.5 | A85 L86 G91 S92 V98 | A85-Q89 WeakPolarHBondContact O-CB 3.39Å; A85-Q89 PolarHBondContact O-N 3.15Å; L86-Q89 PolarHBondContact O-N 3.03Å; Q89-G91 PolarHBondContact O-N 3.03Å; Q89-S92 WeakPolarHBondContact O-CB 3.5Å; Q89-S92 PolarHBondContact O-N 2.77Å; Q89-S92 PolarHBondContact O-OG 3.29Å; Q89-V98 HydrophobicContact CB-CG1 4.12Å |
| 90 | A | 96.6 | Very high | 96.7 | Very high | 79 Ų | 79 | 50.2 Ų | 50.2 | 65% | 0.653 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -62.6 | -40.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L86 S92 | L86-A90 WeakPolarHBondContact O-CB 3.2Å; L86-A90 PolarHBondContact O-N 2.93Å; A90-S92 PolarHBondContact O-N 2.97Å |
| 91 | G | 95.1 | Very high | 96.7 | Very high | 46 Ų | 46 | 54.3 Ų | 54.3 | 47% | 0.474 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -74.5 | -8.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q87 L88 Q89 F93 | Q87-G91 PolarHBondContact O-N 2.81Å; L88-G91 PolarHBondContact O-N 3.35Å; Q89-G91 PolarHBondContact O-N 3.03Å; G91-F93 WeakPolarHBondContact O-CD2 3.37Å; G91-F93 WeakPolarHBondContact O-CE2 3.35Å |
| 92 | S | 92.9 | Very high | 96.6 | Very high | 13 Ų | 13 | 60.1 Ų | 60.1 | 9% | 0.091 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -5.4 | -175.8 | 76.2 | 0 | 0 | 0 | 0 | 114.9 | L88 Q89 A90 G94 S95 L96 | L88-S92 WeakPolarHBondContact O-CB 3.38Å; L88-S92 PolarHBondContact O-N 3.33Å; L88-S92 VanDerWaalsContact O-N 3.1Å; Q89-S92 WeakPolarHBondContact O-CB 3.5Å; Q89-S92 PolarHBondContact O-N 2.77Å; Q89-S92 PolarHBondContact O-OG 3.29Å; A90-S92 PolarHBondContact O-N 2.97Å; S92-G94 PolarHBondContact O-N 2.85Å; S92-S95 WeakPolarHBondContact CB-OG 3.3Å; S92-S95 WeakPolarHBondContact O-CB 3.42Å; S92-S95 PolarHBondContact O-N 2.74Å; S92-S95 VanDerWaalsContact O-N 3.07Å; S92-S95 PolarHBondContact O-OG 2.55Å; S92-S95 PolarHBondContact OG-N 2.81Å; S92-L96 WeakPolarHBondContact OG-CB 3.47Å; S92-L96 PolarHBondContact OG-N 3.38Å; S92-L96 VanDerWaalsContact OG-N 3.08Å |
| 93 | F | 90.8 | Very high | 96.4 | Very high | 192 Ų | 192 | 59.4 Ų | 59.4 | 84% | 0.842 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 40.3 | -175.8 | -54.2 | -79.8 | 0 | 0 | 0 | 113.3 | G91 | G91-F93 WeakPolarHBondContact O-CD2 3.37Å; G91-F93 WeakPolarHBondContact O-CE2 3.35Å |
| 94 | G | 92.7 | Very high | 96.2 | Very high | 44 Ų | 44 | 61 Ų | 61 | 45% | 0.454 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.3 | 1.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | S92 | S92-G94 PolarHBondContact O-N 2.85Š|
| 95 | S | 93.4 | Very high | 95.9 | Very high | 34 Ų | 34 | 62.4 Ų | 62.4 | 24% | 0.238 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -85.2 | -8.4 | 178.7 | 66.3 | 0 | 0 | 0 | 0 | 114.6 | S92 R136 V137 | S92-S95 WeakPolarHBondContact CB-OG 3.3Å; S92-S95 WeakPolarHBondContact O-CB 3.42Å; S92-S95 PolarHBondContact O-N 2.74Å; S92-S95 VanDerWaalsContact O-N 3.07Å; S92-S95 PolarHBondContact O-OG 2.55Å; S92-S95 PolarHBondContact OG-N 2.81Å; S95-R136 WeakPolarHBondContact O-CA 3.3Å; S95-V137 PolarHBondContact O-N 2.94Å |
| 96 | L | 96.1 | Very high | 95.5 | Very high | 8 Ų | 8 | 67.8 Ų | 67.8 | 4% | 0.042 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 145.1 | 174.9 | -62.7 | 176 | 0 | 0 | 0 | 112.4 | L56 L88 S92 V134 F135 R136 | L56-L96 HydrophobicContact CD1-CD1 3.81Å; L56-L96 HydrophobicContact CD2-CD2 4.3Å; L88-L96 HydrophobicContact CB-CD1 4.28Å; S92-L96 WeakPolarHBondContact OG-CB 3.47Å; S92-L96 PolarHBondContact OG-N 3.38Å; S92-L96 VanDerWaalsContact OG-N 3.08Å; L96-V134 HydrophobicContact CB-CG1 4.36Å; L96-V134 HydrophobicContact CD1-CG1 4.01Å; L96-V134 HydrophobicContact CD2-CG1 4.4Å; L96-F135 WeakPolarHBondContact CA-O 3.25Å; L96-R136 HydrophobicContact CD2-CG 3.83Å |
| 97 | Q | 97.4 | Very high | 94.9 | Very high | 95 Ų | 95 | 63.7 Ų | 63.7 | 44% | 0.444 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 161.4 | 165.3 | -78.7 | -177.7 | 15.4 | 0 | 0 | 111.1 | V134 F135 V137 | Q97-V134 WeakPolarHBondContact O-CA 3.44Å; Q97-F135 HydrophobicContact CB-CE1 3.97Å; Q97-F135 HydrophobicContact CB-CE2 3.95Å; Q97-F135 HydrophobicContact CB-CZ 3.6Å; Q97-F135 PolarHBondContact N-O 3.45Å; Q97-F135 WeakPolarHBondContact O-CD1 3.25Å; Q97-F135 PolarHBondContact O-N 2.99Å; Q97-V137 HydrophobicContact CB-CG1 3.98Å; Q97-V137 HydrophobicContact CB-CG2 4.5Å; Q97-V137 HydrophobicContact CG-CG1 3.92Å; Q97-V137 HydrophobicContact CG-CG2 3.85Å |
| 98 | V | 98.1 | Very high | 94.4 | Very high | 47 Ų | 47 | 62.2 Ų | 62.2 | 29% | 0.285 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 141.6 | -179.5 | -57.1 | 0 | 0 | 0 | 0 | 110.8 | A85 Q89 I132 R133 V134 | A85-V98 HydrophobicContact CB-CG1 4.33Å; Q89-V98 HydrophobicContact CB-CG1 4.12Å; V98-I132 HydrophobicContact CB-CG2 4.16Å; V98-R133 CarbonylContact C-O 3.5Å; V98-R133 VanDerWaalsContact CA-O 3.27Å; V98-R133 WeakPolarHBondContact CA-O 3.46Å; V98-V134 HydrophobicContact CG1-CG1 4.4Å; V98-V134 HydrophobicContact CG1-CG2 4.14Å |
| 99 | A | 98.3 | Very high | 93.8 | Very high | 40 Ų | 40 | 62.3 Ų | 62.3 | 33% | 0.331 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 132.7 | 171 | 0 | 0 | 0 | 0 | 0 | 109.1 | I132 R133 F135 | A99-I132 CarbonylContact O-C 3.58Å; A99-I132 WeakPolarHBondContact O-CA 3.37Å; A99-R133 PolarHBondContact N-O 3.24Å; A99-R133 PolarHBondContact O-N 2.76Å; A99-F135 HydrophobicContact CB-CE1 4.25Å |
| 100 | A | 97.5 | Very high | 93.2 | Very high | 68 Ų | 68 | 61.5 Ų | 61.5 | 56% | 0.562 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 137.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I130 H131 I132 | A100-I130 HydrophobicContact CB-CD1 4.23Å; A100-I130 HydrophobicContact CB-CG1 4.38Å; A100-H131 WeakPolarHBondContact CA-O 3.42Å; A100-I132 HydrophobicContact CB-CG1 4.35Å |
| 101 | N | 97.6 | Very high | 92.5 | Very high | 111 Ų | 111 | 58.3 Ų | 58.3 | 59% | 0.594 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 149.6 | 170.4 | -69.3 | 66.3 | 0 | 0 | 0 | 109.1 | I130 H131 | N101-I130 CarbonylContact O-C 3.55Å; N101-I130 WeakPolarHBondContact O-CA 3.31Å; N101-H131 PolarHBondContact N-O 3.12Å; N101-H131 PolarHBondContact O-N 2.77Å |
| 102 | T | 97.1 | Very high | 91.9 | Very high | 121 Ų | 121 | 59 Ų | 59 | 74% | 0.742 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 153.7 | 175.7 | 55.5 | 0 | 0 | 0 | 0 | 110.6 | A129 | T102-A129 VanDerWaalsContact CA-O 3.31Å; T102-A129 WeakPolarHBondContact CA-O 3.49Å |
| 103 | S | 94.9 | Very high | 91.4 | Very high | 43 Ų | 43 | 59.9 Ų | 59.9 | 30% | 0.301 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 168.2 | 171.4 | 71 | 0 | 0 | 0 | 0 | 110.6 | A129 H131 | S103-A129 PolarHBondContact N-O 3.47Å; S103-A129 PolarHBondContact O-N 2.97Å; S103-H131 PolarHBondContact OG-NE2 3.11Å |
| 104 | T | 93.6 | Very high | 91 | Very high | 103 Ų | 103 | 56.1 Ų | 56.1 | 63% | 0.632 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 128 | 170.6 | -60.3 | 0 | 0 | 0 | 0 | 108.3 | N126 | T104-N126 HydrophobicContact CG2-CB 3.77Å |
| 105 | V | 91.3 | Very high | 90.3 | Very high | 30 Ų | 30 | 57.2 Ų | 57.2 | 18% | 0.182 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 119.6 | 179.5 | 178.9 | 0 | 0 | 0 | 0 | 108.9 | P27 L74 L107 N127 A129 | P27-V105 HydrophobicContact CB-CG1 4.01Å; L74-V105 HydrophobicContact CD1-CB 3.75Å; L74-V105 HydrophobicContact CD1-CG1 4.2Å; L74-V105 HydrophobicContact CD1-CG2 4.02Å; V105-L107 HydrophobicContact CG1-CD2 3.98Å; V105-N127 PolarHBondContact N-O 2.52Å; V105-N127 PolarHBondContact O-N 2.87Å; V105-A129 HydrophobicContact CG2-CB 3.68Å |
| 106 | E | 90.4 | Very high | 89.5 | Confident | 114 Ų | 114 | 64 Ų | 64 | 53% | 0.533 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 133.4 | 172.5 | -169.6 | -179.9 | 91.7 | 0 | 0 | 110.3 | I124 | E106-I124 VanDerWaalsContact CD-CG2 3.45Å; E106-I124 HydrophobicContact CG-CG2 3.32Å |
| 107 | L | 86.5 | Confident | 88.8 | Confident | 6 Ų | 6 | 69.5 Ų | 69.5 | 3% | 0.031 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 129.7 | 178.1 | -53.3 | 178.2 | 0 | 0 | 0 | 109 | P27 L74 V105 I124 R125 N127 | P27-L107 HydrophobicContact CB-CD2 3.48Å; P27-L107 VanDerWaalsContact CB-CD2 3.48Å; P27-L107 HydrophobicContact CG-CD2 3.44Å; P27-L107 VanDerWaalsContact CG-CD2 3.44Å; L74-L107 HydrophobicContact CD2-CD1 4.34Å; L74-L107 HydrophobicContact CD2-CD2 4.11Å; V105-L107 HydrophobicContact CG1-CD2 3.98Å; L107-I124 WeakPolarHBondContact O-CA 3.44Å; L107-R125 HydrophobicContact CB-CG 3.78Å; L107-R125 HydrophobicContact CD1-CG 4.31Å; L107-R125 HydrophobicContact CG-CG 4.46Å; L107-R125 PolarHBondContact N-O 2.81Å; L107-R125 PolarHBondContact O-N 3.05Å; L107-N127 HydrophobicContact CD1-CB 4.04Å; L107-N127 WeakPolarHBondContact CD1-ND2 3.27Å |
| 108 | V | 86.9 | Confident | 87.8 | Confident | 47 Ų | 47 | 69.4 Ų | 69.4 | 29% | 0.285 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 111.7 | 174.8 | -174.8 | 0 | 0 | 0 | 0 | 107.9 | R25 T122 I124 | R25-V108 VanDerWaalsContact CB-O 3.27Å; R25-V108 WeakPolarHBondContact CB-O 3.42Å; V108-T122 HydrophobicContact CG1-CG2 4.46Å; V108-I124 HydrophobicContact CG2-CG1 4.48Å |
| 109 | D | 84.9 | Confident | 87.1 | Confident | 2 Ų | 2 | 75 Ų | 75 | 1% | 0.011 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 146.1 | 169 | -66.7 | -27.5 | 0 | 0 | 0 | 109.6 | L22 K24 T122 R123 R125 | L22-D109 HydrophobicContact CD1-CB 3.67Å; K24-D109 WeakPolarHBondContact CA-OD1 3.43Å; D109-T122 WeakPolarHBondContact O-CA 3.41Å; D109-R123 HydrophobicContact CB-CB 4.47Å; D109-R123 PolarHBondContact N-O 3.46Å; D109-R123 PolarHBondContact O-N 2.76Å; D109-R125 VanDerWaalsContact CG-NH2 3.33Å; D109-R125 IonicContact OD1-CZ 3.38Å; D109-R125 IonicContact OD1-NE 3.89Å; D109-R125 IonicContact OD1-NH1 3.06Å; D109-R125 IonicContact OD1-NH2 2.82Å; D109-R125 PolarHBondContact OD1-NH2 2.67Å; D109-R125 IonicContact OD2-CZ 3.27Å; D109-R125 IonicContact OD2-NE 3.35Å; D109-R125 PolarHBondContact OD2-NE 3.35Å; D109-R125 IonicContact OD2-NH1 2.91Å; D109-R125 PolarHBondContact OD2-NH1 2.89Å; D109-R125 IonicContact OD2-NH2 2.77Å; D109-R125 PolarHBondContact OD2-NH2 2.98Å |
| 110 | E | 84.8 | Confident | 86.3 | Confident | 49 Ų | 49 | 77.3 Ų | 77.3 | 23% | 0.229 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 133.5 | 178.9 | -131.1 | 163.4 | -150.8 | 0 | 0 | 108.9 | R23 R25 | R23-E110 WeakPolarHBondContact CA-O 3.1Å; R23-E110 HydrophobicContact CB-CB 4.37Å; R23-E110 PolarHBondContact N-O 2.98Å; R23-E110 PolarHBondContact O-N 2.85Å; R25-E110 IonicContact CZ-OE1 2.87Å; R25-E110 IonicContact CZ-OE2 3.06Å; R25-E110 IonicContact NE-OE1 2.69Å; R25-E110 PolarHBondContact NE-OE1 2.77Å; R25-E110 IonicContact NE-OE2 3.07Å; R25-E110 PolarHBondContact NE-OE2 2.89Å; R25-E110 IonicContact NH1-OE1 3.43Å; R25-E110 PolarHBondContact NH1-OE1 3.05Å; R25-E110 IonicContact NH2-OE1 3.88Å; R25-E110 PolarHBondContact NH2-OE1 2.76Å; R25-E110 IonicContact NH2-OE2 2.73Å; R25-E110 PolarHBondContact NH2-OE2 3.06Å |
| 111 | L | 81.5 | Confident | 85.7 | Confident | 12 Ų | 12 | 77.9 Ų | 77.9 | 6% | 0.063 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 112.6 | 179.8 | -66.3 | 165.9 | 0 | 0 | 0 | 107.4 | L15 Y20 L22 P120 L121 R123 | L15-L111 HydrophobicContact CD1-CD1 4.15Å; Y20-L111 HydrophobicContact CD1-CB 4.14Å; L22-L111 HydrophobicContact CB-CD2 4.21Å; L22-L111 HydrophobicContact CD1-CD2 3.57Å; L22-L111 HydrophobicContact CD1-CG 4.38Å; L111-P120 WeakPolarHBondContact O-CA 3.27Å; L111-L121 HydrophobicContact CB-CB 3.96Å; L111-L121 WeakPolarHBondContact CB-O 3.33Å; L111-L121 HydrophobicContact CD1-CB 3.92Å; L111-L121 PolarHBondContact N-O 2.88Å; L111-L121 PolarHBondContact O-N 2.83Å; L111-R123 HydrophobicContact CD1-CB 4.32Å |
| 112 | E | 83.4 | Confident | 85.2 | Confident | 61 Ų | 61 | 77.1 Ų | 77.1 | 29% | 0.285 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 129.1 | 176.2 | -71.6 | -176.4 | -175.3 | 0 | 0 | 109.4 | Y20 T21 R23 | Y20-E112 CarbonylContact C-O 3.59Å; Y20-E112 WeakPolarHBondContact CA-O 3.49Å; T21-E112 PolarHBondContact N-O 2.69Å; T21-E112 PolarHBondContact O-N 2.73Å; R23-E112 VanDerWaalsContact CD-CD 3.47Å; R23-E112 VanDerWaalsContact CD-OE1 3.22Å; R23-E112 WeakPolarHBondContact CD-OE1 3.41Å; R23-E112 IonicContact CZ-OE1 3.22Å; R23-E112 IonicContact CZ-OE2 2.88Å; R23-E112 VanDerWaalsContact NE-CD 3.26Å; R23-E112 IonicContact NE-OE1 2.78Å; R23-E112 PolarHBondContact NE-OE1 3.27Å; R23-E112 IonicContact NE-OE2 2.7Å; R23-E112 PolarHBondContact NE-OE2 3.47Å; R23-E112 VanDerWaalsContact NH1-CD 3.34Å; R23-E112 IonicContact NH1-OE1 3.18Å; R23-E112 PolarHBondContact NH1-OE1 3.03Å; R23-E112 IonicContact NH1-OE2 3.54Å; R23-E112 PolarHBondContact NH1-OE2 2.91Å; R23-E112 IonicContact NH2-OE1 2.94Å; R23-E112 IonicContact NH2-OE2 3.57Å; R23-E112 PolarHBondContact NH2-OE2 3.22Å |
| 113 | P | 83.2 | Confident | 84.6 | Confident | 30 Ų | 30 | 77.5 Ų | 77.5 | 20% | 0.195 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 144.4 | 176.6 | 27.5 | -30.3 | 0 | 0 | 0 | 110.9 | Y20 T115 R118 | Y20-P113 HydrophobicContact CD1-CB 3.99Å; Y20-P113 HydrophobicContact CE1-CB 3.69Å; Y20-P113 HydrophobicContact CE1-CG 4.41Å; P113-T115 PolarHBondContact O-N 2.94Å; P113-R118 HydrophobicContact CB-CB 3.72Å; P113-R118 HydrophobicContact CG-CB 4.18Å; P113-R118 VanDerWaalsContact CG-O 3.29Å; P113-R118 WeakPolarHBondContact CG-O 3.28Å |
| 114 | E | 81.4 | Confident | 84.3 | Confident | 114 Ų | 114 | 80 Ų | 80 | 53% | 0.533 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -79 | -0.2 | 174.3 | -65.9 | -62.8 | 148.5 | 0 | 0 | 113 | E19 T21 | E19-E114 PolarHBondContact O-N 2.73Å; E19-E114 VanDerWaalsContact O-N 3.15Å; T21-E114 VanDerWaalsContact CB-OE1 3.25Å; T21-E114 WeakPolarHBondContact CB-OE1 3.17Å; T21-E114 PolarHBondContact OG1-OE1 3.31Å |
| 115 | T | 77.6 | Confident | 84.1 | Confident | 66 Ų | 66 | 78.6 Ų | 78.6 | 41% | 0.405 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -133.2 | 145 | 179.7 | 70.2 | 0 | 0 | 0 | 0 | 111.1 | P113 T117 R118 | P113-T115 PolarHBondContact O-N 2.94Å; T115-T117 PolarHBondContact O-N 3.31Å; T115-T117 PolarHBondContact OG1-OG1 2.78Å; T115-T117 VanDerWaalsContact OG1-OG1 3.14Å; T115-R118 PolarHBondContact O-N 3.4Å |
| 116 | D | 77.9 | Confident | 84.1 | Confident | 177 Ų | 177 | 82.1 Ų | 82.1 | 95% | 0.947 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -5.7 | -179.8 | -62.5 | -28.1 | 0 | 0 | 0 | 114 | R118 | D116-R118 VanDerWaalsContact C-N 3.35Š|
| 117 | T | 80 | Confident | 84.2 | Confident | 124 Ų | 124 | 79.2 Ų | 79.2 | 76% | 0.761 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -6.4 | -176.6 | 63.9 | 0 | 0 | 0 | 0 | 113.9 | T115 | T115-T117 PolarHBondContact O-N 3.31Å; T115-T117 PolarHBondContact OG1-OG1 2.78Å; T115-T117 VanDerWaalsContact OG1-OG1 3.14Å |
| 118 | R | 77.7 | Confident | 84.7 | Confident | 92 Ų | 92 | 82.7 Ų | 82.7 | 35% | 0.347 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -124.4 | 154.5 | -173.3 | -63.7 | -177.3 | -177.6 | -175.3 | 0.1 | 110.9 | E19 Y20 P113 T115 D116 | E19-R118 IonicContact OE1-CZ 2.74Å; E19-R118 IonicContact OE1-NH1 2.55Å; E19-R118 PolarHBondContact OE1-NH1 2.72Å; E19-R118 IonicContact OE1-NH2 2.81Å; E19-R118 PolarHBondContact OE1-NH2 3.2Å; E19-R118 IonicContact OE2-CZ 3.44Å; E19-R118 IonicContact OE2-NH1 3.24Å; E19-R118 PolarHBondContact OE2-NH1 2.69Å; E19-R118 IonicContact OE2-NH2 2.76Å; Y20-R118 WeakPolarHBondContact OH-CD 3.48Å; P113-R118 HydrophobicContact CB-CB 3.72Å; P113-R118 HydrophobicContact CG-CB 4.18Å; P113-R118 VanDerWaalsContact CG-O 3.29Å; P113-R118 WeakPolarHBondContact CG-O 3.28Å; T115-R118 PolarHBondContact O-N 3.4Å; D116-R118 VanDerWaalsContact C-N 3.35Å |
| 119 | E | 82.8 | Confident | 85.1 | Confident | 164 Ų | 164 | 80.7 Ų | 80.7 | 77% | 0.766 | 42% | 0.42 | S | S | * | . | trans | -92.5 | 152.1 | 178.7 | -65.2 | -174.9 | 164.8 | 0 | 0 | 111.4 | ||||
| 120 | P | 82.1 | Confident | 85.7 | Confident | 90 Ų | 90 | 81.4 Ų | 81.4 | 58% | 0.584 | 42% | 0.423 | S | S | * | . | trans | -59.7 | 139.3 | 170.6 | -21.4 | 32.7 | 0 | 0 | 0 | 112.1 | L111 | L111-P120 WeakPolarHBondContact O-CA 3.27Š| ||
| 121 | L | 85.1 | Confident | 86.3 | Confident | 79 Ų | 79 | 80.8 Ų | 80.8 | 41% | 0.414 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 146.4 | 177.1 | -68.8 | 163.4 | 0 | 0 | 0 | 110.6 | Y20 L111 | Y20-L121 HydrophobicContact CD1-CD1 4.48Å; Y20-L121 HydrophobicContact CE1-CD1 3.79Å; Y20-L121 HydrophobicContact CE1-CG 4.33Å; Y20-L121 HydrophobicContact CE2-CD1 4.3Å; L111-L121 HydrophobicContact CB-CB 3.96Å; L111-L121 WeakPolarHBondContact CB-O 3.33Å; L111-L121 HydrophobicContact CD1-CB 3.92Å; L111-L121 PolarHBondContact N-O 2.88Å; L111-L121 PolarHBondContact O-N 2.83Å |
| 122 | T | 85.6 | Confident | 87.1 | Confident | 96 Ų | 96 | 80.5 Ų | 80.5 | 59% | 0.589 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 128.6 | 172.1 | 53.6 | 0 | 0 | 0 | 0 | 110.4 | V108 D109 | V108-T122 HydrophobicContact CG1-CG2 4.46Å; D109-T122 WeakPolarHBondContact O-CA 3.41Å |
| 123 | R | 85.8 | Confident | 87.7 | Confident | 129 Ų | 129 | 82.2 Ų | 82.2 | 49% | 0.487 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 123.3 | 173.5 | -176.7 | 174.5 | -176.1 | 162.2 | 4.1 | 110.1 | D109 L111 | D109-R123 HydrophobicContact CB-CB 4.47Å; D109-R123 PolarHBondContact N-O 3.46Å; D109-R123 PolarHBondContact O-N 2.76Å; L111-R123 HydrophobicContact CD1-CB 4.32Å |
| 124 | I | 87.7 | Confident | 88.4 | Confident | 96 Ų | 96 | 80.8 Ų | 80.8 | 49% | 0.492 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 132.8 | 174.7 | -57.5 | 179.4 | 0 | 0 | 0 | 109 | E106 L107 V108 | E106-I124 VanDerWaalsContact CD-CG2 3.45Å; E106-I124 HydrophobicContact CG-CG2 3.32Å; L107-I124 WeakPolarHBondContact O-CA 3.44Å; V108-I124 HydrophobicContact CG2-CG1 4.48Å |
| 125 | R | 89.4 | Confident | 89.1 | Confident | 72 Ų | 72 | 77.2 Ų | 77.2 | 27% | 0.272 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 153.5 | 173 | 68.1 | 177 | 178.9 | -145.7 | -13.7 | 111.2 | L107 D109 | L107-R125 HydrophobicContact CB-CG 3.78Å; L107-R125 HydrophobicContact CD1-CG 4.31Å; L107-R125 HydrophobicContact CG-CG 4.46Å; L107-R125 PolarHBondContact N-O 2.81Å; L107-R125 PolarHBondContact O-N 3.05Å; D109-R125 VanDerWaalsContact CG-NH2 3.33Å; D109-R125 IonicContact OD1-CZ 3.38Å; D109-R125 IonicContact OD1-NE 3.89Å; D109-R125 IonicContact OD1-NH1 3.06Å; D109-R125 IonicContact OD1-NH2 2.82Å; D109-R125 PolarHBondContact OD1-NH2 2.67Å; D109-R125 IonicContact OD2-CZ 3.27Å; D109-R125 IonicContact OD2-NE 3.35Å; D109-R125 PolarHBondContact OD2-NE 3.35Å; D109-R125 IonicContact OD2-NH1 2.91Å; D109-R125 PolarHBondContact OD2-NH1 2.89Å; D109-R125 IonicContact OD2-NH2 2.77Å; D109-R125 PolarHBondContact OD2-NH2 2.98Å |
| 126 | N | 91.4 | Very high | 89.9 | Confident | 105 Ų | 105 | 79.2 Ų | 79.2 | 56% | 0.561 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 130.4 | 178.2 | -69.7 | -38.1 | 0 | 0 | 0 | 110.7 | T104 | T104-N126 HydrophobicContact CG2-CB 3.77Å |
| 127 | N | 93.5 | Very high | 90.7 | Very high | 53 Ų | 53 | 72.5 Ų | 72.5 | 28% | 0.283 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 140.9 | 171.3 | -86.8 | 6.4 | 0 | 0 | 0 | 110.4 | L74 V105 L107 | L74-N127 HydrophobicContact CD1-CB 3.66Å; L74-N127 HydrophobicContact CG-CB 4.19Å; V105-N127 PolarHBondContact N-O 2.52Å; V105-N127 PolarHBondContact O-N 2.87Å; L107-N127 HydrophobicContact CD1-CB 4.04Å; L107-N127 WeakPolarHBondContact CD1-ND2 3.27Å |
| 128 | S | 96.2 | Very high | 91 | Very high | 78 Ų | 78 | 72.8 Ų | 72.8 | 55% | 0.545 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 144.2 | 167.7 | -50.8 | 0 | 0 | 0 | 0 | 110.5 | G75 | G75-S128 PolarHBondContact N-O 3.27Å |
| 129 | A | 96.1 | Very high | 91.1 | Very high | 5 Ų | 5 | 72 Ų | 72 | 4% | 0.041 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 150.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | G73 L74 T102 S103 V105 | G73-A129 CarbonylContact O-C 3.57Å; G73-A129 VanDerWaalsContact O-CA 3.26Å; G73-A129 WeakPolarHBondContact O-CA 3.22Å; L74-A129 HydrophobicContact CD1-CB 4.05Å; T102-A129 VanDerWaalsContact CA-O 3.31Å; T102-A129 WeakPolarHBondContact CA-O 3.49Å; S103-A129 PolarHBondContact N-O 3.47Å; S103-A129 PolarHBondContact O-N 2.97Å; V105-A129 HydrophobicContact CG2-CB 3.68Å |
| 130 | I | 97.1 | Very high | 90.4 | Very high | 17 Ų | 17 | 77.5 Ų | 77.5 | 9% | 0.087 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 140.9 | 171.1 | -161.4 | 170.8 | 0 | 0 | 0 | 109.5 | H72 G73 I78 A81 I82 A100 N101 I132 | H72-I130 WeakPolarHBondContact CA-O 3.47Å; G73-I130 PolarHBondContact N-O 3.04Å; G73-I130 PolarHBondContact O-N 2.88Å; I78-I130 HydrophobicContact CB-CG2 4.25Å; I78-I130 HydrophobicContact CG1-CB 4.36Å; I78-I130 HydrophobicContact CG1-CG2 4Å; I78-I130 HydrophobicContact CG2-CB 4.34Å; I78-I130 HydrophobicContact CG2-CG2 4.01Å; A81-I130 HydrophobicContact CB-CG2 4.13Å; I82-I130 HydrophobicContact CD1-CD1 4.02Å; I82-I130 HydrophobicContact CG1-CD1 3.85Å; A100-I130 HydrophobicContact CB-CD1 4.23Å; A100-I130 HydrophobicContact CB-CG1 4.38Å; N101-I130 CarbonylContact O-C 3.55Å; N101-I130 WeakPolarHBondContact O-CA 3.31Å; I130-I132 HydrophobicContact CD1-CD1 4.11Å; I130-I132 HydrophobicContact CD1-CG1 3.99Å; I130-I132 HydrophobicContact CG1-CD1 4.48Å; I130-I132 HydrophobicContact CG1-CG1 3.93Å; I130-I132 HydrophobicContact CG2-CD1 4.46Å; I130-I132 HydrophobicContact CG2-CG1 4.41Å |
| 131 | H | 96.4 | Very high | 90.8 | Very high | 36 Ų | 36 | 76.9 Ų | 76.9 | 17% | 0.167 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 110.1 | 174.4 | -48.3 | -92.2 | 0 | 0 | 0 | 107.5 | H72 A100 N101 S103 | H72-H131 AromaticContact CE1-ND1 3.34Å; H72-H131 PolarHBondContact CE1-ND1 2.7Å; H72-H131 VanDerWaalsContact CE1-ND1 3.34Å; H72-H131 AromaticContact CG-ND1 3.88Å; H72-H131 AromaticContact ND1-CE1 3.95Å; H72-H131 AromaticContact ND1-CG 3.59Å; H72-H131 AromaticContact ND1-ND1 2.88Å; H72-H131 PolarHBondContact ND1-ND1 2.88Å; A100-H131 WeakPolarHBondContact CA-O 3.42Å; N101-H131 PolarHBondContact N-O 3.12Å; N101-H131 PolarHBondContact O-N 2.77Å; S103-H131 PolarHBondContact OG-NE2 3.11Å |
| 132 | I | 98.1 | Very high | 91.1 | Very high | 7 Ų | 7 | 76.7 Ų | 76.7 | 4% | 0.036 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 111.7 | -177.5 | -50 | 172.9 | 0 | 0 | 0 | 108.2 | Y70 I71 A81 I82 A85 V98 A99 A100 I130 V134 | Y70-I132 CarbonylContact C-O 3.53Å; Y70-I132 WeakPolarHBondContact CA-O 3.29Å; I71-I132 HydrophobicContact CB-CB 4.4Å; I71-I132 PolarHBondContact N-O 3.14Å; I71-I132 PolarHBondContact O-N 3.21Å; A81-I132 HydrophobicContact CB-CD1 4.34Å; I82-I132 HydrophobicContact CB-CD1 4.45Å; I82-I132 HydrophobicContact CG1-CD1 3.98Å; A85-I132 HydrophobicContact CB-CB 4.37Å; A85-I132 HydrophobicContact CB-CD1 3.89Å; A85-I132 HydrophobicContact CB-CG2 3.68Å; V98-I132 HydrophobicContact CB-CG2 4.16Å; A99-I132 CarbonylContact O-C 3.58Å; A99-I132 WeakPolarHBondContact O-CA 3.37Å; A100-I132 HydrophobicContact CB-CG1 4.35Å; I130-I132 HydrophobicContact CD1-CD1 4.11Å; I130-I132 HydrophobicContact CD1-CG1 3.99Å; I130-I132 HydrophobicContact CG1-CD1 4.48Å; I130-I132 HydrophobicContact CG1-CG1 3.93Å; I130-I132 HydrophobicContact CG2-CD1 4.46Å; I130-I132 HydrophobicContact CG2-CG1 4.41Å; I132-V134 HydrophobicContact CG2-CG2 4.3Å |
| 133 | R | 97.5 | Very high | 91.4 | Very high | 97 Ų | 97 | 75.7 Ų | 75.7 | 37% | 0.366 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 123.4 | 169 | -174.4 | -175.9 | 176.7 | -163.2 | -0.1 | 108.4 | E68 Y70 V98 A99 F135 | E68-R133 IonicContact OE2-CZ 3.11Å; E68-R133 IonicContact OE2-NE 2.75Å; E68-R133 PolarHBondContact OE2-NE 3.15Å; E68-R133 IonicContact OE2-NH2 2.67Å; E68-R133 PolarHBondContact OE2-NH2 3.03Å; Y70-R133 HydrophobicContact CD1-CB 3.91Å; Y70-R133 HydrophobicContact CD1-CG 4.19Å; Y70-R133 HydrophobicContact CE1-CB 3.64Å; Y70-R133 HydrophobicContact CE1-CG 3.57Å; V98-R133 CarbonylContact C-O 3.5Å; V98-R133 VanDerWaalsContact CA-O 3.27Å; V98-R133 WeakPolarHBondContact CA-O 3.46Å; A99-R133 PolarHBondContact N-O 3.24Å; A99-R133 PolarHBondContact O-N 2.76Å; R133-F135 HydrophobicContact CG-CD1 3.92Å |
| 134 | V | 97.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 119.1 | 172.4 | -174.2 | 0 | 0 | 0 | 0 | 107.3 | L56 E68 I69 I71 A85 L96 Q97 V98 I132 | L56-V134 HydrophobicContact CD1-CG1 4.34Å; E68-V134 CarbonylContact C-O 3.57Å; E68-V134 WeakPolarHBondContact CA-O 3.34Å; E68-V134 WeakPolarHBondContact CB-O 3.49Å; I69-V134 HydrophobicContact CD1-CB 4.46Å; I69-V134 HydrophobicContact CG1-CB 3.85Å; I69-V134 HydrophobicContact CG1-CG2 4.39Å; I69-V134 PolarHBondContact N-O 3.46Å; I69-V134 PolarHBondContact O-N 3.21Å; I71-V134 HydrophobicContact CD1-CG2 3.88Å; I71-V134 HydrophobicContact CG1-CG2 4.38Å; A85-V134 HydrophobicContact CB-CG2 4.22Å; L96-V134 HydrophobicContact CB-CG1 4.36Å; L96-V134 HydrophobicContact CD1-CG1 4.01Å; L96-V134 HydrophobicContact CD2-CG1 4.4Å; Q97-V134 WeakPolarHBondContact O-CA 3.44Å; V98-V134 HydrophobicContact CG1-CG1 4.4Å; V98-V134 HydrophobicContact CG1-CG2 4.14Å; I132-V134 HydrophobicContact CG2-CG2 4.3Å |
| 135 | F | 95.7 | Very high | 92 | Very high | 39 Ų | 39 | 71.1 Ų | 71.1 | 17% | 0.171 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 149.5 | -169.6 | 61.8 | -81.8 | 0 | 0 | 0 | 112.3 | S67 E68 L96 Q97 A99 R133 V137 | S67-F135 WeakPolarHBondContact O-CA 3.37Å; E68-F135 HydrophobicContact CB-CB 3.73Å; L96-F135 WeakPolarHBondContact CA-O 3.25Å; Q97-F135 HydrophobicContact CB-CE1 3.97Å; Q97-F135 HydrophobicContact CB-CE2 3.95Å; Q97-F135 HydrophobicContact CB-CZ 3.6Å; Q97-F135 PolarHBondContact N-O 3.45Å; Q97-F135 WeakPolarHBondContact O-CD1 3.25Å; Q97-F135 PolarHBondContact O-N 2.99Å; A99-F135 HydrophobicContact CB-CE1 4.25Å; R133-F135 HydrophobicContact CG-CD1 3.92Å; F135-V137 HydrophobicContact CD2-CG1 3.79Å; F135-V137 HydrophobicContact CE2-CG1 3.51Å; F135-V137 HydrophobicContact CZ-CG1 4.49Å |
| 136 | R | 94.5 | Very high | 92.2 | Very high | 107 Ų | 107 | 71 Ų | 71 | 40% | 0.404 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 139.3 | 178.3 | -67.8 | -176.9 | 178.9 | -82.7 | 1.5 | 111.5 | L56 D57 S67 S95 L96 | L56-R136 PolarHBondContact O-NH2 3.06Å; D57-R136 IonicContact OD1-NH2 3.57Å; S67-R136 PolarHBondContact O-N 3.31Å; S95-R136 WeakPolarHBondContact O-CA 3.3Å; L96-R136 HydrophobicContact CD2-CG 3.83Å |
| 137 | V | 94.1 | Very high | 92.3 | Very high | 36 Ų | 36 | 68.6 Ų | 68.6 | 22% | 0.218 | 35% | 0.345 | C | S | . | . | trans | -133.3 | 155 | 173 | -63.6 | 0 | 0 | 0 | 0 | 110 | S95 Q97 F135 P139 | S95-V137 PolarHBondContact O-N 2.94Å; Q97-V137 HydrophobicContact CB-CG1 3.98Å; Q97-V137 HydrophobicContact CB-CG2 4.5Å; Q97-V137 HydrophobicContact CG-CG1 3.92Å; Q97-V137 HydrophobicContact CG-CG2 3.85Å; F135-V137 HydrophobicContact CD2-CG1 3.79Å; F135-V137 HydrophobicContact CE2-CG1 3.51Å; F135-V137 HydrophobicContact CZ-CG1 4.49Å; V137-P139 WeakPolarHBondContact O-CD 3.33Å | ||
| 138 | T | 87.4 | Confident | 92.2 | Very high | 131 Ų | 131 | 69.8 Ų | 69.8 | 80% | 0.804 | 35% | 0.349 | S | S | * | . | trans | -71 | 124.1 | 169.3 | -47.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 139 | P | 79.1 | Confident | 91.8 | Very high | 76 Ų | 76 | 69.1 Ų | 69.1 | 49% | 0.494 | 33% | 0.333 | S | S | . | . | trans | -57.5 | 144.5 | 173.5 | -22.2 | 33.4 | 0 | 0 | 0 | 110.5 | V137 | V137-P139 WeakPolarHBondContact O-CD 3.33Š| ||
| 140 | K | 68.7 | Low | 91.5 | Very high | 278 Ų | 278 | 74.9 Ų | 74.9 | 100% | 1.209 | 36% | 0.36 | S | S | * | . | trans | -80.2 | 0 | 173.6 | -70.8 | -174.6 | 178.8 | -179.1 | 0 | 111.2 |
Retrieved 140 of 140 residues in 269.5 ms
(Link to these results)