| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37 | Very low | 61.2 | Low | 242 Ų | 242 | 155.5 Ų | 155.5 | 100% | 1.192 | 72% | 0.723 | S | S | * | * | 0 | 104.4 | 0 | -66.7 | 177.2 | -163.9 | 0 | 0 | 109.5 | R3 | M1-R3 PolarHBondContact O-N 3.07Š| |||
| 2 | R | 35.3 | Very low | 63.7 | Low | 252 Ų | 252 | 148.1 Ų | 148.1 | 95% | 0.951 | 70% | 0.696 | S | S | * | * | trans | -76.7 | 97.4 | 170.6 | -78.1 | -179 | 176.6 | -176 | -1 | 107.8 | L4 | R2-L4 PolarHBondContact O-N 3.18Å; R2-L4 VanDerWaalsContact O-N 3.07Å | ||
| 3 | R | 38.2 | Very low | 65.6 | Low | 231 Ų | 231 | 142 Ų | 142 | 87% | 0.872 | 66% | 0.663 | S | S | * | * | trans | -64 | 109.4 | 160.8 | -77.2 | -169 | -170.7 | -160.6 | 3.8 | 106 | M1 K5 | M1-R3 PolarHBondContact O-N 3.07Å; R3-K5 PolarHBondContact O-N 3.01Å | ||
| 4 | L | 35.2 | Very low | 66.9 | Low | 169 Ų | 169 | 140 Ų | 140 | 89% | 0.885 | 66% | 0.659 | S | S | * | * | trans | -56.2 | 91.6 | 161.5 | -90.4 | 134.2 | 0 | 0 | 0 | 107.1 | R2 M6 | R2-L4 PolarHBondContact O-N 3.18Å; R2-L4 VanDerWaalsContact O-N 3.07Å; L4-M6 PolarHBondContact O-N 2.79Å | ||
| 5 | K | 46.1 | Very low | 67.9 | Low | 177 Ų | 177 | 134.1 Ų | 134.1 | 77% | 0.77 | 64% | 0.635 | S | S | * | * | trans | -70.4 | 91.2 | 161.3 | -81.1 | -175.2 | 176.1 | -179.5 | 0 | 104.8 | R3 | R3-K5 PolarHBondContact O-N 3.01Š| ||
| 6 | M | 51.4 | Low | 68.4 | Low | 162 Ų | 162 | 131.7 Ų | 131.7 | 80% | 0.798 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 129.4 | 159 | -76.1 | -171.9 | -172.2 | 0 | 0 | 106.5 | L4 F8 | L4-M6 PolarHBondContact O-N 2.79Å; M6-F8 PolarHBondContact O-N 3.35Å |
| 7 | P | 72.2 | Confident | 68.8 | Low | 110 Ų | 110 | 130.3 Ų | 130.3 | 71% | 0.714 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 121.7 | 179.9 | 22.8 | -30.2 | 0 | 0 | 0 | 107.2 | K9 | P7-K9 PolarHBondContact O-N 3.05Š|
| 8 | F | 81 | Confident | 69 | Low | 125 Ų | 125 | 126.2 Ų | 126.2 | 55% | 0.548 | 60% | 0.6 | S | S | . | * | P | Polyproline II helix | trans | -55.5 | 133.9 | 173.8 | -65.9 | -83.1 | 0 | 0 | 0 | 107.8 | M6 Y13 M33 | M6-F8 PolarHBondContact O-N 3.35Å; F8-Y13 HydrophobicContact CD1-CE1 4.33Å; F8-M33 HydrophobicContact CB-CB 3.88Å; F8-M33 HydrophobicContact CB-CE 3.37Å; F8-M33 HydrophobicContact CB-CG 3.88Å; F8-M33 HydrophobicContact CB-SD 4.47Å; F8-M33 HydrophobicContact CD1-CE 4.1Å; F8-M33 HydrophobicContact CD2-CE 4.18Å; F8-M33 HydrophobicContact CG-CE 3.64Å; F8-M33 WeakPolarHBondContact O-CB 3.49Å |
| 9 | K | 92 | Very high | 69.2 | Low | 159 Ų | 159 | 128.5 Ų | 128.5 | 69% | 0.691 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -103.6 | 156.4 | -177.6 | -66.5 | -172.6 | 178.1 | -177 | 0 | 109.7 | P7 G11 Y13 M33 | P7-K9 PolarHBondContact O-N 3.05Å; K9-G11 PolarHBondContact O-N 2.81Å; K9-Y13 PolarHBondContact N-OH 3.29Å; K9-Y13 WeakPolarHBondContact O-CE2 3.35Å; K9-Y13 PolarHBondContact O-OH 3.02Å; K9-M33 WeakPolarHBondContact O-CG 3.35Å |
| 10 | D | 92.9 | Very high | 69.3 | Low | 67 Ų | 67 | 124.2 Ų | 124.2 | 36% | 0.358 | 60% | 0.599 | S | S | . | * | S | Bend | trans | -57.4 | 135.4 | 168.7 | -66.7 | 8.7 | 0 | 0 | 0 | 109.8 | F30 C31 M33 T34 | D10-F30 HydrophobicContact CB-CE1 4.5Å; D10-F30 HydrophobicContact CB-CZ 4.45Å; D10-C31 WeakPolarHBondContact CA-O 3.45Å; D10-M33 PolarHBondContact OD1-N 3.18Å; D10-T34 WeakPolarHBondContact OD1-CB 3.49Å; D10-T34 PolarHBondContact OD1-N 2.65Å; D10-T34 VanDerWaalsContact OD1-N 3.17Å; D10-T34 PolarHBondContact OD1-OG1 2.75Å |
| 11 | G | 92.4 | Very high | 69.4 | Low | 17 Ų | 17 | 125.2 Ų | 125.2 | 18% | 0.175 | 61% | 0.613 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | 162.9 | -174.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | K9 Y13 F30 C31 | K9-G11 PolarHBondContact O-N 2.81Å; G11-Y13 VanDerWaalsContact O-CD2 3.31Å; G11-Y13 WeakPolarHBondContact O-CD2 3.29Å; G11-F30 CarbonylContact O-C 3.57Å; G11-F30 WeakPolarHBondContact O-CA 3.33Å; G11-C31 PolarHBondContact N-O 3.27Å; G11-C31 PolarHBondContact O-N 2.94Å |
| 12 | V | 90.8 | Very high | 70.9 | Confident | 66 Ų | 66 | 115.3 Ų | 115.3 | 40% | 0.4 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.8 | 124.7 | 179.9 | -177.5 | 0 | 0 | 0 | 0 | 110.2 | K28 L29 F30 Y67 | V12-K28 HydrophobicContact CG1-CB 3.83Å; V12-K28 HydrophobicContact CG1-CD 4.12Å; V12-K28 HydrophobicContact CG1-CG 4.12Å; V12-L29 CarbonylContact C-O 3.55Å; V12-L29 WeakPolarHBondContact CA-O 3.45Å; V12-F30 HydrophobicContact CG2-CD2 3.95Å; V12-Y67 HydrophobicContact CB-CD2 4.41Å; V12-Y67 HydrophobicContact CG1-CD2 3.84Å; V12-Y67 HydrophobicContact CG1-CE2 4.2Å; V12-Y67 HydrophobicContact CG2-CD2 3.62Å; V12-Y67 HydrophobicContact CG2-CG 3.87Å |
| 13 | Y | 88 | Confident | 72.5 | Confident | 69 Ų | 69 | 109.3 Ų | 109.3 | 27% | 0.271 | 56% | 0.56 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116 | 145.4 | 177.6 | -70.4 | -92.6 | 0 | 0 | 0 | 110.9 | F8 K9 G11 K28 L29 C31 M33 | F8-Y13 HydrophobicContact CD1-CE1 4.33Å; K9-Y13 PolarHBondContact N-OH 3.29Å; K9-Y13 WeakPolarHBondContact O-CE2 3.35Å; K9-Y13 PolarHBondContact O-OH 3.02Å; G11-Y13 VanDerWaalsContact O-CD2 3.31Å; G11-Y13 WeakPolarHBondContact O-CD2 3.29Å; Y13-K28 CarbonylContact O-C 3.56Å; Y13-K28 VanDerWaalsContact O-CA 3.29Å; Y13-K28 WeakPolarHBondContact O-CA 3.33Å; Y13-L29 PolarHBondContact N-O 2.7Å; Y13-L29 PolarHBondContact O-N 3.41Å; Y13-C31 HydrophobicContact CD2-CB 3.58Å; Y13-C31 HydrophobicContact CE2-CB 3.94Å; Y13-M33 HydrophobicContact CE2-CG 4.07Å |
| 14 | L | 83.8 | Confident | 74.1 | Confident | 114 Ų | 114 | 104.1 Ų | 104.1 | 60% | 0.597 | 55% | 0.55 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 116 | 165.8 | -84.6 | 148.7 | 0 | 0 | 0 | 108.5 | K26 R27 K28 | L14-K26 HydrophobicContact CD2-CB 3.72Å; L14-K26 HydrophobicContact CD2-CD 4.39Å; L14-K26 HydrophobicContact CD2-CG 4.48Å; L14-R27 WeakPolarHBondContact CA-O 3.36Å; L14-K28 HydrophobicContact CD2-CG 4.01Å; L14-K28 HydrophobicContact CG-CG 4.16Å |
| 15 | V | 81.9 | Confident | 76 | Confident | 51 Ų | 51 | 96.4 Ų | 96.4 | 31% | 0.309 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 132.9 | -177.8 | -173 | 0 | 0 | 0 | 0 | 108.7 | R27 L29 | V15-R27 PolarHBondContact N-O 3.39Å; V15-R27 VanDerWaalsContact O-CG 3.31Å; V15-R27 WeakPolarHBondContact O-CG 3.15Å; V15-R27 PolarHBondContact O-N 2.82Å; V15-L29 HydrophobicContact CB-CD1 4.02Å; V15-L29 HydrophobicContact CG1-CD1 4.42Å; V15-L29 HydrophobicContact CG2-CB 4.36Å; V15-L29 HydrophobicContact CG2-CD1 3.94Å; V15-L29 HydrophobicContact CG2-CG 4.32Å |
| 16 | N | 75.7 | Confident | 77.3 | Confident | 96 Ų | 96 | 92.5 Ų | 92.5 | 51% | 0.513 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 141.2 | 175.4 | -71.7 | -21.5 | 0 | 0 | 0 | 110.6 | K26 | N16-K26 WeakPolarHBondContact OD1-CG 3.5Å |
| 17 | R | 75.4 | Confident | 78.7 | Confident | 108 Ų | 108 | 86.1 Ų | 86.1 | 41% | 0.408 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 140.1 | 166 | -154.3 | -174.4 | -166.2 | -168.4 | 0.3 | 109.4 | N19 C20 C25 E117 | R17-N19 PolarHBondContact O-N 2.8Å; R17-C20 HydrophobicContact CB-CB 3.77Å; R17-C20 PolarHBondContact O-N 2.89Å; R17-C25 WeakPolarHBondContact CB-O 3.5Å; R17-C25 PolarHBondContact N-O 2.79Å; R17-E117 WeakPolarHBondContact CG-OE1 3.13Å; R17-E117 IonicContact CZ-OE1 3.14Å; R17-E117 IonicContact CZ-OE2 3.79Å; R17-E117 IonicContact NE-OE1 3.28Å; R17-E117 PolarHBondContact NE-OE1 2.89Å; R17-E117 IonicContact NE-OE2 2.91Å; R17-E117 PolarHBondContact NE-OE2 2.83Å; R17-E117 VanDerWaalsContact NH2-CD 3.29Å; R17-E117 IonicContact NH2-OE1 3.31Å; R17-E117 IonicContact NH2-OE2 3.86Å; R17-E117 PolarHBondContact NH2-OE2 3.11Å |
| 18 | T | 72.1 | Confident | 79.3 | Confident | 57 Ų | 57 | 85.3 Ų | 85.3 | 35% | 0.35 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 136.8 | 177.7 | -46.1 | 0 | 0 | 0 | 0 | 109.7 | C20 | T18-C20 PolarHBondContact O-N 2.8Š|
| 19 | N | 72.6 | Confident | 79.7 | Confident | 169 Ų | 169 | 79.5 Ų | 79.5 | 90% | 0.904 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 29 | 179.3 | -56.9 | -17.7 | 0 | 0 | 0 | 114.7 | R17 | R17-N19 PolarHBondContact O-N 2.8Š|
| 20 | C | 71.7 | Confident | 79.7 | Confident | 42 Ų | 42 | 73.1 Ų | 73.1 | 28% | 0.284 | 39% | 0.392 | S | S | . | . | trans | -127.7 | 131.5 | 179.2 | -164.3 | 0 | 0 | 0 | 0 | 109.3 | R17 T18 C25 | R17-C20 HydrophobicContact CB-CB 3.77Å; R17-C20 PolarHBondContact O-N 2.89Å; T18-C20 PolarHBondContact O-N 2.8Å; C20-C25 VanDerWaalsContact CA-SG 3.57Å; C20-C25 HydrophobicContact CB-CB 3.5Å; C20-C25 WeakPolarHBondContact CB-SG 3.46Å; C20-C25 WeakPolarHBondContact SG-CB 3.44Å; C20-C25 CovalentContact SG-SG 2.02Å; C20-C25 PolarHBondContact SG-SG 3.01Å | ||
| 21 | V | 72 | Confident | 79.7 | Confident | 146 Ų | 146 | 70.5 Ų | 70.5 | 89% | 0.885 | 38% | 0.379 | S | S | * | . | trans | -121.3 | 128.4 | -179.8 | -176.2 | 0 | 0 | 0 | 0 | 109.2 | C25 | V21-C25 PolarHBondContact N-SG 3.17Å; V21-C25 PolarHBondContact O-SG 2.88Å | ||
| 22 | G | 69.1 | Low | 79.9 | Confident | 35 Ų | 35 | 69.7 Ų | 69.7 | 36% | 0.361 | 37% | 0.37 | S | S | . | . | S | Bend | trans | 131.5 | 166.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | N24 C25 | G22-N24 VanDerWaalsContact C-N 3.29Å; G22-N24 PolarHBondContact O-N 2.79Å; G22-C25 VanDerWaalsContact O-CB 3.26Å; G22-C25 WeakPolarHBondContact O-CB 3.19Å; G22-C25 PolarHBondContact O-N 2.99Å; G22-C25 VanDerWaalsContact O-N 3.11Å |
| 23 | D | 68.7 | Low | 80 | Confident | 126 Ų | 126 | 68.8 Ų | 68.8 | 67% | 0.674 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -68.4 | -29.4 | 179.8 | -77.1 | -31.8 | 0 | 0 | 0 | 113 | C25 K26 | D23-C25 PolarHBondContact O-N 3.18Å; D23-K26 PolarHBondContact O-N 2.77Å; D23-K26 WeakPolarHBondContact OD1-CE 3.31Å; D23-K26 IonicContact OD1-NZ 3.62Å; D23-K26 PolarHBondContact OD1-NZ 3.17Å |
| 24 | N | 71.3 | Confident | 80.3 | Confident | 122 Ų | 122 | 70.2 Ų | 70.2 | 65% | 0.652 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -65.1 | -17.9 | 171.6 | 63.3 | -19.6 | 0 | 0 | 0 | 113.3 | G22 | G22-N24 VanDerWaalsContact C-N 3.29Å; G22-N24 PolarHBondContact O-N 2.79Å |
| 25 | C | 74 | Confident | 80.8 | Confident | 6 Ų | 6 | 65.8 Ų | 65.8 | 4% | 0.041 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -85.1 | -8.2 | 177.5 | -60.1 | 0 | 0 | 0 | 0 | 113.6 | R17 C20 V21 G22 D23 | R17-C25 WeakPolarHBondContact CB-O 3.5Å; R17-C25 PolarHBondContact N-O 2.79Å; C20-C25 VanDerWaalsContact CA-SG 3.57Å; C20-C25 HydrophobicContact CB-CB 3.5Å; C20-C25 WeakPolarHBondContact CB-SG 3.46Å; C20-C25 WeakPolarHBondContact SG-CB 3.44Å; C20-C25 CovalentContact SG-SG 2.02Å; C20-C25 PolarHBondContact SG-SG 3.01Å; V21-C25 PolarHBondContact N-SG 3.17Å; V21-C25 PolarHBondContact O-SG 2.88Å; G22-C25 VanDerWaalsContact O-CB 3.26Å; G22-C25 WeakPolarHBondContact O-CB 3.19Å; G22-C25 PolarHBondContact O-N 2.99Å; G22-C25 VanDerWaalsContact O-N 3.11Å; D23-C25 PolarHBondContact O-N 3.18Å |
| 26 | K | 75.4 | Confident | 81.3 | Confident | 95 Ų | 95 | 67 Ų | 67 | 41% | 0.413 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 135.1 | -178.8 | -70.1 | 170.5 | -177.5 | 165.5 | 0 | 110.6 | L14 N16 D23 | L14-K26 HydrophobicContact CD2-CB 3.72Å; L14-K26 HydrophobicContact CD2-CD 4.39Å; L14-K26 HydrophobicContact CD2-CG 4.48Å; N16-K26 WeakPolarHBondContact OD1-CG 3.5Å; D23-K26 PolarHBondContact O-N 2.77Å; D23-K26 WeakPolarHBondContact OD1-CE 3.31Å; D23-K26 IonicContact OD1-NZ 3.62Å; D23-K26 PolarHBondContact OD1-NZ 3.17Å |
| 27 | R | 80.6 | Confident | 82 | Confident | 28 Ų | 28 | 66.1 Ų | 66.1 | 11% | 0.106 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 141.1 | 171.1 | 52.2 | -179.9 | 161.1 | -146.2 | -7.5 | 110.8 | L14 V15 L29 E117 L118 | L14-R27 WeakPolarHBondContact CA-O 3.36Å; V15-R27 PolarHBondContact N-O 3.39Å; V15-R27 VanDerWaalsContact O-CG 3.31Å; V15-R27 WeakPolarHBondContact O-CG 3.15Å; V15-R27 PolarHBondContact O-N 2.82Å; R27-L29 HydrophobicContact CG-CG 4.33Å; R27-E117 IonicContact CZ-OE1 2.76Å; R27-E117 IonicContact NH1-OE1 3.3Å; R27-E117 PolarHBondContact NH1-OE1 3.12Å; R27-E117 IonicContact NH1-OE2 3.39Å; R27-E117 PolarHBondContact NH1-OE2 2.71Å; R27-E117 IonicContact NH2-OE1 2.8Å; R27-E117 PolarHBondContact NH2-OE1 3.37Å; R27-L118 VanDerWaalsContact NH2-CD2 3.26Å |
| 28 | K | 84.6 | Confident | 82.8 | Confident | 93 Ų | 93 | 61.2 Ų | 61.2 | 40% | 0.404 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 126.1 | 171.2 | -71.4 | -175.1 | 178.5 | -176.4 | 0 | 109.2 | V12 Y13 L14 Y67 | V12-K28 HydrophobicContact CG1-CB 3.83Å; V12-K28 HydrophobicContact CG1-CD 4.12Å; V12-K28 HydrophobicContact CG1-CG 4.12Å; Y13-K28 CarbonylContact O-C 3.56Å; Y13-K28 VanDerWaalsContact O-CA 3.29Å; Y13-K28 WeakPolarHBondContact O-CA 3.33Å; L14-K28 HydrophobicContact CD2-CG 4.01Å; L14-K28 HydrophobicContact CG-CG 4.16Å; K28-Y67 HydrophobicContact CB-CE2 3.87Å; K28-Y67 WeakPolarHBondContact O-CE2 3.4Å; K28-Y67 PolarHBondContact O-OH 2.81Å |
| 29 | L | 88.6 | Confident | 83.7 | Confident | 4 Ų | 4 | 60.3 Ų | 60.3 | 2% | 0.021 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 142 | 174.3 | -61 | 179.1 | 0 | 0 | 0 | 108.7 | V12 Y13 V15 R27 T41 L73 | V12-L29 CarbonylContact C-O 3.55Å; V12-L29 WeakPolarHBondContact CA-O 3.45Å; Y13-L29 PolarHBondContact N-O 2.7Å; Y13-L29 PolarHBondContact O-N 3.41Å; V15-L29 HydrophobicContact CB-CD1 4.02Å; V15-L29 HydrophobicContact CG1-CD1 4.42Å; V15-L29 HydrophobicContact CG2-CB 4.36Å; V15-L29 HydrophobicContact CG2-CD1 3.94Å; V15-L29 HydrophobicContact CG2-CG 4.32Å; R27-L29 HydrophobicContact CG-CG 4.33Å; L29-T41 HydrophobicContact CB-CG2 4.28Å; L29-T41 HydrophobicContact CD1-CG2 3.99Å; L29-T41 HydrophobicContact CD2-CG2 4.3Å; L29-T41 HydrophobicContact CG-CG2 4.42Å; L29-L73 HydrophobicContact CD2-CD1 3.83Å; L29-L73 HydrophobicContact CD2-CD2 4.27Å |
| 30 | F | 92.2 | Very high | 84.8 | Confident | 24 Ų | 24 | 52.2 Ų | 52.2 | 11% | 0.105 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 122.4 | 166.8 | -167.6 | -77.4 | 0 | 0 | 0 | 108.3 | D10 G11 V12 V42 Y67 F71 | D10-F30 HydrophobicContact CB-CE1 4.5Å; D10-F30 HydrophobicContact CB-CZ 4.45Å; G11-F30 CarbonylContact O-C 3.57Å; G11-F30 WeakPolarHBondContact O-CA 3.33Å; V12-F30 HydrophobicContact CG2-CD2 3.95Å; F30-V42 HydrophobicContact CB-CB 4.4Å; F30-V42 HydrophobicContact CD1-CB 4.1Å; F30-V42 HydrophobicContact CD1-CG2 3.61Å; F30-V42 HydrophobicContact CE1-CG2 4.27Å; F30-V42 PolarHBondContact O-N 3.02Å; F30-Y67 HydrophobicContact CB-CD1 3.84Å; F30-Y67 HydrophobicContact CB-CE1 4.2Å; F30-Y67 HydrophobicContact CB-CG 4.18Å; F30-Y67 WeakPolarHBondContact CD2-O 3.22Å; F30-F71 HydrophobicContact CB-CE1 4.4Å; F30-F71 HydrophobicContact CB-CZ 3.98Å |
| 31 | C | 93.5 | Very high | 85.9 | Confident | 12 Ų | 12 | 51.3 Ų | 51.3 | 8% | 0.081 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 131.8 | 178.4 | -56.6 | 0 | 0 | 0 | 0 | 110.4 | D10 G11 Y13 M33 W40 | D10-C31 WeakPolarHBondContact CA-O 3.45Å; G11-C31 PolarHBondContact N-O 3.27Å; G11-C31 PolarHBondContact O-N 2.94Å; Y13-C31 HydrophobicContact CD2-CB 3.58Å; Y13-C31 HydrophobicContact CE2-CB 3.94Å; C31-M33 HydrophobicContact CB-CG 4.15Å; C31-M33 HydrophobicContact CB-SD 3.74Å; C31-W40 CarbonylContact C-O 3.51Å; C31-W40 WeakPolarHBondContact CA-O 3.46Å |
| 32 | D | 95 | Very high | 87 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 110.6 | 166.6 | 179.9 | -37.2 | 0 | 0 | 0 | 107.1 | T34 T35 G38 G39 W40 V42 K248 M250 | D32-T34 PolarHBondContact OD1-N 2.94Å; D32-T35 VanDerWaalsContact CG-OG1 3.26Å; D32-T35 WeakPolarHBondContact OD1-CB 3.28Å; D32-T35 PolarHBondContact OD1-N 2.94Å; D32-T35 PolarHBondContact OD1-OG1 3.48Å; D32-T35 PolarHBondContact OD2-OG1 3.08Å; D32-G38 CarbonylContact O-C 3.49Å; D32-G38 WeakPolarHBondContact O-CA 3.28Å; D32-G39 PolarHBondContact O-N 3.43Å; D32-W40 HydrophobicContact CB-CB 4.05Å; D32-W40 PolarHBondContact N-O 2.82Å; D32-W40 PolarHBondContact O-N 3.5Å; D32-V42 HydrophobicContact CB-CG2 4.06Å; D32-K248 IonicContact OD2-NZ 2.79Å; D32-K248 PolarHBondContact OD2-NZ 3.06Å; D32-M250 HydrophobicContact CB-SD 3.8Å |
| 33 | M | 93.9 | Very high | 88.3 | Confident | 47 Ų | 47 | 42.7 Ų | 42.7 | 23% | 0.232 | 25% | 0.248 | C | C | . | . | trans | -104 | 6.4 | -174 | -56.7 | -58.1 | -85.3 | 0 | 0 | 111.6 | F8 K9 D10 Y13 C31 G38 | F8-M33 HydrophobicContact CB-CB 3.88Å; F8-M33 HydrophobicContact CB-CE 3.37Å; F8-M33 HydrophobicContact CB-CG 3.88Å; F8-M33 HydrophobicContact CB-SD 4.47Å; F8-M33 HydrophobicContact CD1-CE 4.1Å; F8-M33 HydrophobicContact CD2-CE 4.18Å; F8-M33 HydrophobicContact CG-CE 3.64Å; F8-M33 WeakPolarHBondContact O-CB 3.49Å; K9-M33 WeakPolarHBondContact O-CG 3.35Å; D10-M33 PolarHBondContact OD1-N 3.18Å; Y13-M33 HydrophobicContact CE2-CG 4.07Å; C31-M33 HydrophobicContact CB-CG 4.15Å; C31-M33 HydrophobicContact CB-SD 3.74Å; M33-G38 WeakPolarHBondContact O-CA 3.26Å | ||
| 34 | T | 93.7 | Very high | 89.6 | Confident | 99 Ų | 99 | 36.7 Ų | 36.7 | 61% | 0.607 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -111.2 | -44.2 | -174.4 | -49.7 | 0 | 0 | 0 | 0 | 111.5 | D10 D32 Q36 | D10-T34 WeakPolarHBondContact OD1-CB 3.49Å; D10-T34 PolarHBondContact OD1-N 2.65Å; D10-T34 VanDerWaalsContact OD1-N 3.17Å; D10-T34 PolarHBondContact OD1-OG1 2.75Å; D32-T34 PolarHBondContact OD1-N 2.94Å; T34-Q36 PolarHBondContact O-N 2.72Å |
| 35 | T | 94 | Very high | 90.7 | Very high | 22 Ų | 22 | 32.5 Ų | 32.5 | 14% | 0.135 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -65.7 | 126.9 | -174.3 | -63 | 0 | 0 | 0 | 0 | 111.6 | D32 G37 G38 W40 L129 M250 | D32-T35 VanDerWaalsContact CG-OG1 3.26Å; D32-T35 WeakPolarHBondContact OD1-CB 3.28Å; D32-T35 PolarHBondContact OD1-N 2.94Å; D32-T35 PolarHBondContact OD1-OG1 3.48Å; D32-T35 PolarHBondContact OD2-OG1 3.08Å; T35-G37 PolarHBondContact O-N 3.12Å; T35-G37 VanDerWaalsContact O-N 3.12Å; T35-G38 WeakPolarHBondContact O-CA 3.46Å; T35-G38 PolarHBondContact O-N 2.95Å; T35-W40 PolarHBondContact O-NE1 3.25Å; T35-L129 HydrophobicContact CG2-CD2 3.55Å; T35-M250 HydrophobicContact CG2-CE 4.32Å |
| 36 | Q | 92.9 | Very high | 91.6 | Very high | 75 Ų | 75 | 32.4 Ų | 32.4 | 35% | 0.35 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | 46.1 | 43.7 | 176.2 | -61.2 | -169.4 | -2.4 | 0 | 0 | 114.1 | T34 G38 W40 E165 R252 | T34-Q36 PolarHBondContact O-N 2.72Å; Q36-G38 VanDerWaalsContact C-N 3.34Å; Q36-W40 HydrophobicContact CB-CZ2 4.36Å; Q36-E165 PolarHBondContact NE2-OE1 3.16Å; Q36-E165 PolarHBondContact NE2-OE2 3.17Å; Q36-R252 PolarHBondContact O-NH1 2.95Å |
| 37 | G | 90.6 | Very high | 92.3 | Very high | 78 Ų | 78 | 30.4 Ų | 30.4 | 80% | 0.804 | 18% | 0.182 | S | C | * | . | G | 310 helix | trans | 85.1 | 0.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | T35 | T35-G37 PolarHBondContact O-N 3.12Å; T35-G37 VanDerWaalsContact O-N 3.12Å |
| 38 | G | 92.1 | Very high | 92.4 | Very high | 5 Ų | 5 | 32.5 Ų | 32.5 | 5% | 0.052 | 20% | 0.195 | C | C | . | . | S | Bend | trans | 79.3 | -166.5 | 174 | 0 | 0 | 0 | 0 | 0 | 114.8 | D32 M33 T35 Q36 R252 | D32-G38 CarbonylContact O-C 3.49Å; D32-G38 WeakPolarHBondContact O-CA 3.28Å; M33-G38 WeakPolarHBondContact O-CA 3.26Å; T35-G38 WeakPolarHBondContact O-CA 3.46Å; T35-G38 PolarHBondContact O-N 2.95Å; Q36-G38 VanDerWaalsContact C-N 3.34Å; G38-R252 VanDerWaalsContact O-CD 3.28Å; G38-R252 WeakPolarHBondContact O-CD 3.26Å; G38-R252 PolarHBondContact O-NH1 3.3Å |
| 39 | G | 91.9 | Very high | 92.4 | Very high | 38 Ų | 38 | 29.6 Ų | 29.6 | 39% | 0.392 | 19% | 0.191 | S | C | . | . | trans | 81.1 | 15.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114 | D32 R252 | D32-G39 PolarHBondContact O-N 3.43Å; G39-R252 WeakPolarHBondContact O-CG 3.36Å | ||
| 40 | W | 95.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 131.7 | 179.7 | -65 | 99.3 | 0 | 0 | 0 | 110.7 | C31 D32 T35 Q36 E127 L129 M250 R252 | C31-W40 CarbonylContact C-O 3.51Å; C31-W40 WeakPolarHBondContact CA-O 3.46Å; D32-W40 HydrophobicContact CB-CB 4.05Å; D32-W40 PolarHBondContact N-O 2.82Å; D32-W40 PolarHBondContact O-N 3.5Å; T35-W40 PolarHBondContact O-NE1 3.25Å; Q36-W40 HydrophobicContact CB-CZ2 4.36Å; W40-E127 HydrophobicContact CH2-CG 3.87Å; W40-E127 WeakPolarHBondContact CH2-OE1 3.31Å; W40-E127 HydrophobicContact CZ3-CG 3.99Å; W40-L129 HydrophobicContact CD2-CD2 4.45Å; W40-L129 HydrophobicContact CE3-CB 4Å; W40-L129 HydrophobicContact CH2-CB 3.66Å; W40-L129 HydrophobicContact CH2-CD2 4.15Å; W40-L129 HydrophobicContact CH2-CG 4.38Å; W40-L129 HydrophobicContact CZ2-CB 4.2Å; W40-L129 HydrophobicContact CZ2-CD2 3.82Å; W40-L129 HydrophobicContact CZ3-CB 3.54Å; W40-M250 HydrophobicContact CB-CB 4.06Å; W40-M250 HydrophobicContact CB-SD 4.18Å; W40-M250 HydrophobicContact CD2-CB 4.47Å; W40-M250 HydrophobicContact CE3-CB 4.02Å; W40-R252 HydrophobicContact CD2-CB 3.86Å; W40-R252 HydrophobicContact CE3-CB 3.4Å; W40-R252 VanDerWaalsContact CE3-CB 3.4Å; W40-R252 HydrophobicContact CH2-CB 4.02Å; W40-R252 HydrophobicContact CZ2-CB 4.45Å; W40-R252 HydrophobicContact CZ3-CB 3.48Å; W40-R252 VanDerWaalsContact CZ3-CB 3.48Å |
| 41 | T | 94.3 | Very high | 92.3 | Very high | 22 Ų | 22 | 38.1 Ų | 38.1 | 14% | 0.135 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 117.4 | 166 | -62.8 | 0 | 0 | 0 | 0 | 108.7 | L29 I43 M250 I251 | L29-T41 HydrophobicContact CB-CG2 4.28Å; L29-T41 HydrophobicContact CD1-CG2 3.99Å; L29-T41 HydrophobicContact CD2-CG2 4.3Å; L29-T41 HydrophobicContact CG-CG2 4.42Å; T41-I43 HydrophobicContact CG2-CG2 4.48Å; T41-I43 PolarHBondContact O-N 3.35Å; T41-M250 CarbonylContact O-C 3.54Å; T41-M250 VanDerWaalsContact O-CA 3.26Å; T41-M250 WeakPolarHBondContact O-CA 3.45Å; T41-I251 PolarHBondContact N-O 2.94Å; T41-I251 PolarHBondContact O-N 3.46Å |
| 42 | V | 95.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 118.4 | 178 | -173.7 | 0 | 0 | 0 | 0 | 109 | F30 D32 Q44 R45 F71 M250 | F30-V42 HydrophobicContact CB-CB 4.4Å; F30-V42 HydrophobicContact CD1-CB 4.1Å; F30-V42 HydrophobicContact CD1-CG2 3.61Å; F30-V42 HydrophobicContact CE1-CG2 4.27Å; F30-V42 PolarHBondContact O-N 3.02Å; D32-V42 HydrophobicContact CB-CG2 4.06Å; V42-Q44 WeakPolarHBondContact CG1-O 3.36Å; V42-R45 HydrophobicContact CG1-CB 4.35Å; V42-F71 HydrophobicContact CB-CZ 3.96Å; V42-F71 HydrophobicContact CG1-CE1 4.34Å; V42-F71 HydrophobicContact CG1-CE2 4.37Å; V42-F71 HydrophobicContact CG1-CZ 3.62Å; V42-F71 WeakPolarHBondContact O-CE2 3.36Å; V42-M250 HydrophobicContact CB-CG 4.24Å; V42-M250 HydrophobicContact CG1-CG 4.22Å; V42-M250 HydrophobicContact CG2-CG 3.86Å; V42-M250 HydrophobicContact CG2-SD 3.76Å |
| 43 | I | 95.6 | Very high | 92 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | -19.5 | -179.8 | 66.8 | 168.9 | 0 | 0 | 0 | 113 | T41 L73 I115 F147 I249 I251 | T41-I43 HydrophobicContact CG2-CG2 4.48Å; T41-I43 PolarHBondContact O-N 3.35Å; I43-L73 HydrophobicContact CB-CB 4.32Å; I43-L73 HydrophobicContact CG2-CD2 4.22Å; I43-L73 WeakPolarHBondContact O-CB 3.41Å; I43-L73 PolarHBondContact O-N 2.7Å; I43-I115 HydrophobicContact CB-CD1 4.14Å; I43-I115 HydrophobicContact CB-CG1 4.41Å; I43-I115 HydrophobicContact CD1-CD1 4.26Å; I43-I115 HydrophobicContact CD1-CG2 4.5Å; I43-I115 HydrophobicContact CG2-CD1 4.5Å; I43-I115 HydrophobicContact CG2-CG1 4.23Å; I43-F147 HydrophobicContact CD1-CE1 4.17Å; I43-F147 HydrophobicContact CD1-CZ 4.01Å; I43-I249 HydrophobicContact CD1-CB 4.47Å; I43-I249 HydrophobicContact CD1-CG2 3.74Å; I43-I249 HydrophobicContact CG1-CB 3.94Å; I43-I249 HydrophobicContact CG1-CG2 3.71Å; I43-I249 WeakPolarHBondContact CG1-O 3.06Å; I43-I249 PolarHBondContact N-O 3.19Å; I43-I251 HydrophobicContact CD1-CG2 4.2Å; I43-I251 HydrophobicContact CG2-CD1 3.97Å; I43-I251 HydrophobicContact CG2-CG1 3.95Å; I43-I251 HydrophobicContact CG2-CG2 4.46Å |
| 44 | Q | 95.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 140.3 | 175.6 | -172.2 | -96.4 | 40.2 | 0 | 0 | 109.4 | V42 R46 F53 F71 W72 L214 N215 T247 K248 I249 | V42-Q44 WeakPolarHBondContact CG1-O 3.36Å; Q44-R46 VanDerWaalsContact NE2-CG 3.26Å; Q44-F53 HydrophobicContact CG-CE1 3.92Å; Q44-F53 HydrophobicContact CG-CZ 4.43Å; Q44-F71 WeakPolarHBondContact CA-O 3.36Å; Q44-W72 HydrophobicContact CB-CE3 3.87Å; Q44-W72 HydrophobicContact CB-CZ3 4.02Å; Q44-W72 HydrophobicContact CG-CE3 3.63Å; Q44-W72 HydrophobicContact CG-CZ3 3.96Å; Q44-L214 PolarHBondContact NE2-O 3.05Å; Q44-N215 PolarHBondContact NE2-OD1 2.89Å; Q44-T247 PolarHBondContact NE2-OG1 3.16Å; Q44-T247 PolarHBondContact OE1-OG1 3.12Å; Q44-K248 WeakPolarHBondContact O-CA 3.47Å; Q44-I249 HydrophobicContact CB-CB 3.93Å; Q44-I249 HydrophobicContact CB-CD1 3.96Å; Q44-I249 HydrophobicContact CB-CG1 4.01Å; Q44-I249 HydrophobicContact CG-CD1 4.25Å; Q44-I249 PolarHBondContact N-O 2.67Å; Q44-I249 PolarHBondContact O-N 2.65Å |
| 45 | R | 95.4 | Very high | 91.7 | Very high | 33 Ų | 33 | 41.3 Ų | 41.3 | 13% | 0.125 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 131.1 | 169.4 | -171.2 | 168.1 | 66.5 | -171.5 | -0.4 | 112.1 | V42 Y67 D68 H69 E70 F71 T247 K248 | V42-R45 HydrophobicContact CG1-CB 4.35Å; R45-Y67 VanDerWaalsContact NH2-C 3.28Å; R45-Y67 PolarHBondContact NH2-O 3.5Å; R45-D68 VanDerWaalsContact NH2-C 3.26Å; R45-H69 PolarHBondContact NE-O 2.65Å; R45-H69 VanDerWaalsContact NH2-N 3.15Å; R45-H69 PolarHBondContact NH2-O 2.76Å; R45-E70 VanDerWaalsContact O-CA 3.22Å; R45-E70 WeakPolarHBondContact O-CA 3.13Å; R45-E70 WeakPolarHBondContact O-CB 3.27Å; R45-F71 HydrophobicContact CB-CD1 3.99Å; R45-F71 HydrophobicContact CB-CE1 3.71Å; R45-F71 HydrophobicContact CB-CZ 4.32Å; R45-F71 PolarHBondContact N-O 2.89Å; R45-F71 PolarHBondContact O-N 2.92Å; R45-T247 CarbonylContact C-O 3.22Å; R45-T247 VanDerWaalsContact CA-O 3.27Å; R45-T247 WeakPolarHBondContact CA-O 2.99Å; R45-K248 HydrophobicContact CB-CG 4.48Å; R45-K248 HydrophobicContact CG-CG 3.96Å |
| 46 | R | 93.1 | Very high | 91.5 | Very high | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.015 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 144.3 | 170.8 | -49.8 | -58.1 | -63.5 | -79.5 | 9.1 | 109.3 | Q44 F53 L214 V216 F218 I230 Q246 T247 | Q44-R46 VanDerWaalsContact NE2-CG 3.26Å; R46-F53 VanDerWaalsContact CD-CE1 3.46Å; R46-F53 VanDerWaalsContact CZ-CD2 3.43Å; R46-F53 VanDerWaalsContact NE-CD2 3.28Å; R46-L214 PolarHBondContact NH1-O 3.16Å; R46-V216 PolarHBondContact NH1-O 2.91Å; R46-V216 PolarHBondContact NH2-O 3.32Å; R46-F218 HydrophobicContact CB-CE2 3.95Å; R46-F218 HydrophobicContact CB-CZ 4.05Å; R46-I230 HydrophobicContact CB-CD1 3.73Å; R46-I230 HydrophobicContact CG-CD1 3.85Å; R46-Q246 CarbonylContact O-C 3.52Å; R46-Q246 VanDerWaalsContact O-CA 3.26Å; R46-Q246 WeakPolarHBondContact O-CA 3.36Å; R46-T247 WeakPolarHBondContact CB-OG1 3.09Å; R46-T247 WeakPolarHBondContact CG-OG1 3.23Å; R46-T247 PolarHBondContact N-O 3.05Å; R46-T247 PolarHBondContact O-N 2.85Å |
| 47 | Q | 89.6 | Confident | 91.2 | Very high | 54 Ų | 54 | 38.2 Ų | 38.2 | 25% | 0.252 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -153.3 | -31.7 | 179.9 | 53.9 | 167.2 | 16.9 | 0 | 0 | 115.8 | H69 E70 V245 Q246 | Q47-H69 VanDerWaalsContact NE2-CA 3.32Å; Q47-H69 PolarHBondContact NE2-ND1 3.3Å; Q47-E70 HydrophobicContact CG-CG 3.48Å; Q47-E70 VanDerWaalsContact CG-CG 3.48Å; Q47-E70 PolarHBondContact N-OE1 3.22Å; Q47-V245 CarbonylContact C-O 3.25Å; Q47-Q246 HydrophobicContact CB-CG 4.48Å |
| 48 | N | 82.3 | Confident | 91 | Very high | 72 Ų | 72 | 37.8 Ų | 37.8 | 39% | 0.385 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -156.4 | 0.8 | -170.5 | 63.2 | 13.9 | 0 | 0 | 0 | 115.3 | R50 E70 | N48-R50 VanDerWaalsContact C-N 3.31Å; N48-R50 PolarHBondContact O-N 3.22Å; N48-R50 WeakPolarHBondContact OD1-CB 3.49Å; N48-R50 WeakPolarHBondContact OD1-CG 3.18Å; N48-R50 PolarHBondContact OD1-N 3.26Å; N48-E70 PolarHBondContact N-OE1 3.07Å |
| 49 | G | 84.8 | Confident | 90.9 | Very high | 31 Ų | 31 | 38.3 Ų | 38.3 | 32% | 0.32 | 21% | 0.21 | S | C | . | . | S | Bend | trans | 74.6 | 11.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | V51 E70 F218 | G49-V51 PolarHBondContact O-N 3.44Å; G49-E70 VanDerWaalsContact C-OE2 3.31Å; G49-E70 VanDerWaalsContact CA-OE2 3.3Å; G49-E70 WeakPolarHBondContact CA-OE2 3.31Å; G49-E70 VanDerWaalsContact N-CD 3.3Å; G49-E70 PolarHBondContact N-OE1 3.43Å; G49-E70 PolarHBondContact N-OE2 2.88Å; G49-F218 VanDerWaalsContact N-CE2 3.31Å |
| 50 | R | 88.2 | Confident | 90.7 | Very high | 184 Ų | 184 | 36.5 Ų | 36.5 | 69% | 0.694 | 19% | 0.191 | S | C | * | . | trans | -65.9 | -25.8 | 175.9 | -73.7 | -177.6 | 179.2 | -175.3 | -1.7 | 113 | N48 E70 | N48-R50 VanDerWaalsContact C-N 3.31Å; N48-R50 PolarHBondContact O-N 3.22Å; N48-R50 WeakPolarHBondContact OD1-CB 3.49Å; N48-R50 WeakPolarHBondContact OD1-CG 3.18Å; N48-R50 PolarHBondContact OD1-N 3.26Å; R50-E70 PolarHBondContact N-OE2 2.85Å | ||
| 51 | V | 90.3 | Very high | 90.3 | Very high | 24 Ų | 24 | 38 Ų | 38 | 15% | 0.145 | 20% | 0.198 | C | C | . | . | S | Bend | trans | -104.1 | 125.4 | 177.5 | 179.4 | 0 | 0 | 0 | 0 | 109.3 | G49 F53 F64 E70 | G49-V51 PolarHBondContact O-N 3.44Å; V51-F53 HydrophobicContact CB-CE2 4.3Å; V51-F53 HydrophobicContact CG1-CD2 4.38Å; V51-F53 HydrophobicContact CG1-CE2 4.14Å; V51-F53 WeakPolarHBondContact O-CD2 3.06Å; V51-F53 PolarHBondContact O-N 2.82Å; V51-F64 HydrophobicContact CG1-CD2 3.83Å; V51-F64 HydrophobicContact CG1-CE2 4.27Å; V51-E70 HydrophobicContact CB-CB 3.77Å; V51-E70 HydrophobicContact CG2-CB 3.8Å; V51-E70 WeakPolarHBondContact CG2-O 3.26Å; V51-E70 PolarHBondContact N-OE2 2.87Å |
| 52 | S | 90.9 | Very high | 89.9 | Confident | 56 Ų | 56 | 39.9 Ų | 39.9 | 39% | 0.392 | 21% | 0.207 | S | C | . | . | trans | -68.5 | 126.5 | 171.1 | 179.1 | 0 | 0 | 0 | 0 | 110.4 | Q54 R55 | S52-Q54 PolarHBondContact OG-N 2.86Å; S52-R55 VanDerWaalsContact O-CZ 3.24Å; S52-R55 PolarHBondContact O-NE 2.72Å; S52-R55 PolarHBondContact O-NH2 3.41Å; S52-R55 VanDerWaalsContact O-NH2 3.13Å | ||
| 53 | F | 91.6 | Very high | 89.6 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 0% | 0.004 | 21% | 0.213 | C | C | . | . | trans | -97.7 | 0.8 | 169.2 | -83 | -117 | 0 | 0 | 0 | 111.8 | Q44 R46 V51 R55 Y60 F64 E70 F71 W72 N215 | Q44-F53 HydrophobicContact CG-CE1 3.92Å; Q44-F53 HydrophobicContact CG-CZ 4.43Å; R46-F53 VanDerWaalsContact CD-CE1 3.46Å; R46-F53 VanDerWaalsContact CZ-CD2 3.43Å; R46-F53 VanDerWaalsContact NE-CD2 3.28Å; V51-F53 HydrophobicContact CB-CE2 4.3Å; V51-F53 HydrophobicContact CG1-CD2 4.38Å; V51-F53 HydrophobicContact CG1-CE2 4.14Å; V51-F53 WeakPolarHBondContact O-CD2 3.06Å; V51-F53 PolarHBondContact O-N 2.82Å; F53-R55 PolarHBondContact O-N 2.81Å; F53-Y60 PolarHBondContact O-OH 3.27Å; F53-F64 HydrophobicContact CB-CE2 4.34Å; F53-F64 HydrophobicContact CB-CZ 4.36Å; F53-F64 AromaticContact CD1-CE2 3.75Å; F53-F64 HydrophobicContact CD1-CE2 3.75Å; F53-F64 AromaticContact CD1-CZ 3.67Å; F53-F64 HydrophobicContact CD1-CZ 3.67Å; F53-F64 AromaticContact CD2-CE2 3.67Å; F53-F64 HydrophobicContact CD2-CE2 3.67Å; F53-F64 HydrophobicContact CD2-CZ 4.37Å; F53-F64 AromaticContact CE1-CE2 3.83Å; F53-F64 HydrophobicContact CE1-CE2 3.83Å; F53-F64 AromaticContact CE1-CZ 3.93Å; F53-F64 HydrophobicContact CE1-CZ 3.93Å; F53-F64 AromaticContact CE2-CE2 3.74Å; F53-F64 HydrophobicContact CE2-CE2 3.74Å; F53-F64 AromaticContact CG-CE2 3.66Å; F53-F64 HydrophobicContact CG-CE2 3.66Å; F53-F64 AromaticContact CG-CZ 3.9Å; F53-F64 HydrophobicContact CG-CZ 3.9Å; F53-F64 AromaticContact CZ-CE2 3.82Å; F53-F64 HydrophobicContact CZ-CE2 3.82Å; F53-F64 HydrophobicContact CZ-CZ 4.38Å; F53-E70 HydrophobicContact CE2-CB 4.21Å; F53-F71 WeakPolarHBondContact CZ-O 3.49Å; F53-W72 HydrophobicContact CE1-CB 4.19Å; F53-N215 WeakPolarHBondContact CB-O 2.99Å; F53-N215 HydrophobicContact CD1-CB 4.16Å | ||
| 54 | Q | 91.1 | Very high | 89.3 | Confident | 78 Ų | 78 | 41.4 Ų | 41.4 | 36% | 0.364 | 22% | 0.218 | S | C | . | . | trans | -75.6 | 81.2 | 169 | -175.4 | 177 | -9.5 | 0 | 0 | 108.7 | S52 Y182 R199 P217 | S52-Q54 PolarHBondContact OG-N 2.86Å; Q54-Y182 HydrophobicContact CG-CE1 4.39Å; Q54-R199 VanDerWaalsContact CA-O 3.31Å; Q54-R199 WeakPolarHBondContact CA-O 3.34Å; Q54-R199 WeakPolarHBondContact CB-O 3.32Å; Q54-R199 HydrophobicContact CG-CB 3.94Å; Q54-P217 HydrophobicContact CB-CG 4.47Å | ||
| 55 | R | 90.2 | Very high | 89 | Confident | 89 Ų | 89 | 42.8 Ų | 42.8 | 34% | 0.336 | 23% | 0.232 | S | C | . | . | trans | -121.7 | 145 | -175.6 | -57.8 | -60.8 | -177.5 | -169.4 | 1.9 | 111.3 | S52 F53 Y60 F64 Y182 | S52-R55 VanDerWaalsContact O-CZ 3.24Å; S52-R55 PolarHBondContact O-NE 2.72Å; S52-R55 PolarHBondContact O-NH2 3.41Å; S52-R55 VanDerWaalsContact O-NH2 3.13Å; F53-R55 PolarHBondContact O-N 2.81Å; R55-Y60 HydrophobicContact CB-CD2 3.92Å; R55-Y60 HydrophobicContact CB-CE2 3.82Å; R55-F64 HydrophobicContact CB-CD1 4.32Å; R55-F64 HydrophobicContact CB-CE1 4Å; R55-F64 HydrophobicContact CB-CZ 4.47Å; R55-F64 HydrophobicContact CG-CD1 3.72Å; R55-F64 HydrophobicContact CG-CD2 4.22Å; R55-F64 HydrophobicContact CG-CE1 3.57Å; R55-F64 HydrophobicContact CG-CE2 4.09Å; R55-F64 HydrophobicContact CG-CG 4.04Å; R55-F64 HydrophobicContact CG-CZ 3.76Å; R55-Y182 WeakPolarHBondContact O-CE1 3.33Å | ||
| 56 | A | 89.4 | Confident | 88.8 | Confident | 18 Ų | 18 | 42.7 Ų | 42.7 | 15% | 0.149 | 24% | 0.236 | C | C | . | . | trans | -61.5 | 167.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | S58 G59 Y60 Y182 D183 | A56-S58 PolarHBondContact O-N 2.02Å; A56-G59 WeakPolarHBondContact O-CA 3.08Å; A56-G59 PolarHBondContact O-N 3.21Å; A56-Y60 PolarHBondContact O-N 3.11Å; A56-Y182 PolarHBondContact N-OH 3.04Å; A56-D183 WeakPolarHBondContact CA-OD1 3.41Å; A56-D183 VanDerWaalsContact CB-OD2 3.3Å; A56-D183 WeakPolarHBondContact CB-OD2 3.46Å | ||
| 57 | W | 87.1 | Confident | 88.6 | Confident | 15 Ų | 15 | 43 Ų | 43 | 6% | 0.057 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -48.3 | -47 | 172 | -178.9 | -93.9 | 0 | 0 | 0 | 112 | G59 Y60 K61 E152 F155 Y156 F179 T181 D183 R184 | W57-G59 PolarHBondContact O-N 3.44Å; W57-Y60 PolarHBondContact O-N 2.84Å; W57-K61 WeakPolarHBondContact O-CB 3.43Å; W57-K61 PolarHBondContact O-N 3.18Å; W57-E152 HydrophobicContact CZ2-CG 4.11Å; W57-E152 PolarHBondContact NE1-OE1 3.02Å; W57-E152 VanDerWaalsContact NE1-OE1 3.13Å; W57-F155 HydrophobicContact CH2-CB 4.45Å; W57-Y156 AromaticContact CE2-CE2 3.81Å; W57-Y156 AromaticContact CH2-CD2 3.42Å; W57-Y156 HydrophobicContact CH2-CD2 3.42Å; W57-Y156 VanDerWaalsContact CH2-CD2 3.42Å; W57-Y156 AromaticContact CH2-CE2 3.74Å; W57-Y156 HydrophobicContact CH2-CE2 3.74Å; W57-Y156 AromaticContact CZ2-CD2 3.41Å; W57-Y156 HydrophobicContact CZ2-CD2 3.41Å; W57-Y156 VanDerWaalsContact CZ2-CD2 3.41Å; W57-Y156 AromaticContact CZ2-CE2 3.18Å; W57-Y156 HydrophobicContact CZ2-CE2 3.18Å; W57-Y156 HydrophobicContact CZ3-CD2 4.34Å; W57-F179 HydrophobicContact CE3-CD1 4.35Å; W57-F179 HydrophobicContact CZ3-CB 4.28Å; W57-F179 AromaticContact CZ3-CD1 3.94Å; W57-F179 HydrophobicContact CZ3-CD1 3.94Å; W57-F179 WeakPolarHBondContact CZ3-O 3.12Å; W57-T181 WeakPolarHBondContact CA-OG1 3.4Å; W57-T181 HydrophobicContact CE3-CG2 4.32Å; W57-T181 PolarHBondContact N-OG1 2.82Å; W57-D183 PolarHBondContact N-OD1 2.83Å; W57-D183 PolarHBondContact N-OD2 2.87Å; W57-R184 HydrophobicContact CB-CB 4.01Å; W57-R184 VanDerWaalsContact CD1-NH1 3.34Å; W57-R184 HydrophobicContact CD2-CB 4.32Å; W57-R184 HydrophobicContact CD2-CG 4.37Å; W57-R184 VanDerWaalsContact CE2-CD 3.48Å; W57-R184 HydrophobicContact CE3-CB 4.11Å; W57-R184 VanDerWaalsContact CE3-CD 3.49Å; W57-R184 HydrophobicContact CE3-CG 4.35Å; W57-R184 HydrophobicContact CG-CB 4.3Å; W57-R184 VanDerWaalsContact CG-CD 3.49Å; W57-R184 VanDerWaalsContact CZ2-CZ 3.46Å |
| 58 | S | 86.7 | Confident | 88.5 | Confident | 68 Ų | 68 | 46.3 Ų | 46.3 | 48% | 0.476 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.8 | -33.7 | 179.7 | 62 | 0 | 0 | 0 | 0 | 112.3 | A56 N62 | A56-S58 PolarHBondContact O-N 2.02Å; S58-N62 VanDerWaalsContact O-CB 3.24Å; S58-N62 WeakPolarHBondContact O-CB 3.42Å; S58-N62 PolarHBondContact O-N 3.38Å; S58-N62 PolarHBondContact O-ND2 3.2Å |
| 59 | G | 88.8 | Confident | 88.8 | Confident | 16 Ų | 16 | 46.6 Ų | 46.6 | 17% | 0.165 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.7 | -48.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | A56 W57 K61 N62 G63 F64 | A56-G59 WeakPolarHBondContact O-CA 3.08Å; A56-G59 PolarHBondContact O-N 3.21Å; W57-G59 PolarHBondContact O-N 3.44Å; G59-K61 VanDerWaalsContact C-N 3.35Å; G59-N62 PolarHBondContact O-N 3.17Å; G59-G63 CarbonylContact O-C 3.52Å; G59-G63 WeakPolarHBondContact O-CA 3.3Å; G59-G63 PolarHBondContact O-N 2.84Å; G59-F64 WeakPolarHBondContact O-CD1 3.27Å |
| 60 | Y | 89.3 | Confident | 89.2 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.8 | -36.5 | 176.1 | -81.9 | -79.5 | 0 | 0 | 0 | 112.9 | F53 R55 A56 W57 F64 W72 N112 F179 T181 G201 N215 | F53-Y60 PolarHBondContact O-OH 3.27Å; R55-Y60 HydrophobicContact CB-CD2 3.92Å; R55-Y60 HydrophobicContact CB-CE2 3.82Å; A56-Y60 PolarHBondContact O-N 3.11Å; W57-Y60 PolarHBondContact O-N 2.84Å; Y60-F64 AromaticContact CD1-CE1 3.92Å; Y60-F64 HydrophobicContact CD1-CE1 3.92Å; Y60-F64 HydrophobicContact CD1-CZ 4.36Å; Y60-F64 HydrophobicContact CD2-CE1 4.34Å; Y60-F64 AromaticContact CE1-CE1 3.91Å; Y60-F64 HydrophobicContact CE1-CE1 3.91Å; Y60-F64 AromaticContact CE1-CZ 3.88Å; Y60-F64 HydrophobicContact CE1-CZ 3.88Å; Y60-F64 HydrophobicContact CE2-CE1 4.33Å; Y60-F64 HydrophobicContact CE2-CZ 4.49Å; Y60-F64 HydrophobicContact CG-CE1 4.16Å; Y60-F64 AromaticContact CZ-CZ 3.97Å; Y60-W72 AromaticContact CD1-CD1 3.92Å; Y60-W72 AromaticContact CD1-CD2 3.74Å; Y60-W72 HydrophobicContact CD1-CD2 3.74Å; Y60-W72 AromaticContact CD1-CE2 3.75Å; Y60-W72 HydrophobicContact CD1-CE3 4.32Å; Y60-W72 AromaticContact CD1-CG 3.86Å; Y60-W72 HydrophobicContact CD1-CG 3.86Å; Y60-W72 HydrophobicContact CD1-CZ2 4.33Å; Y60-W72 AromaticContact CD1-NE1 3.82Å; Y60-W72 AromaticContact CE1-CD2 3.9Å; Y60-W72 HydrophobicContact CE1-CD2 3.9Å; Y60-W72 HydrophobicContact CE1-CE3 4.05Å; Y60-W72 HydrophobicContact CE1-CG 4.15Å; Y60-W72 PolarHBondContact O-NE1 3.38Å; Y60-N112 PolarHBondContact O-OD1 3.44Å; Y60-F179 AromaticContact CD1-CE1 3.88Å; Y60-F179 HydrophobicContact CD1-CE1 3.88Å; Y60-F179 AromaticContact CD1-CZ 3.51Å; Y60-F179 HydrophobicContact CD1-CZ 3.51Å; Y60-F179 HydrophobicContact CD2-CE1 4.21Å; Y60-F179 HydrophobicContact CD2-CZ 4.49Å; Y60-F179 AromaticContact CE1-CZ 3.95Å; Y60-F179 HydrophobicContact CE1-CZ 3.95Å; Y60-F179 AromaticContact CG-CE1 3.64Å; Y60-F179 HydrophobicContact CG-CE1 3.64Å; Y60-F179 AromaticContact CG-CZ 3.8Å; Y60-F179 HydrophobicContact CG-CZ 3.8Å; Y60-T181 HydrophobicContact CD2-CG2 3.6Å; Y60-T181 HydrophobicContact CE2-CG2 4.22Å; Y60-T181 HydrophobicContact CG-CG2 4.31Å; Y60-G201 VanDerWaalsContact CE2-CA 3.41Å; Y60-G201 VanDerWaalsContact CZ-CA 3.48Å; Y60-G201 PolarHBondContact OH-N 2.92Å; Y60-N215 WeakPolarHBondContact CE1-ND2 3.38Å; Y60-N215 WeakPolarHBondContact OH-CB 3.39Å |
| 61 | K | 87.1 | Confident | 89.5 | Confident | 31 Ų | 31 | 36.4 Ų | 36.4 | 14% | 0.135 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.3 | -48.2 | 172.7 | 174.3 | 166.9 | 179.4 | -177.3 | 0 | 110.5 | W57 G59 F110 C111 N112 E152 | W57-K61 WeakPolarHBondContact O-CB 3.43Å; W57-K61 PolarHBondContact O-N 3.18Å; G59-K61 VanDerWaalsContact C-N 3.35Å; K61-F110 HydrophobicContact CD-CB 4.1Å; K61-F110 HydrophobicContact CD-CD1 4.05Å; K61-F110 HydrophobicContact CD-CG 4.09Å; K61-F110 VanDerWaalsContact CE-CB 3.45Å; K61-F110 VanDerWaalsContact CE-CD2 3.41Å; K61-F110 HydrophobicContact CG-CB 3.4Å; K61-F110 VanDerWaalsContact CG-CB 3.4Å; K61-F110 HydrophobicContact CG-CD1 3.86Å; K61-F110 HydrophobicContact CG-CG 3.86Å; K61-F110 CarbonylContact O-C 3.36Å; K61-F110 VanDerWaalsContact O-C 3.25Å; K61-F110 WeakPolarHBondContact O-CB 3.35Å; K61-C111 WeakPolarHBondContact O-CA 3.3Å; K61-C111 PolarHBondContact O-N 3.25Å; K61-N112 PolarHBondContact O-N 3.04Å; K61-E152 WeakPolarHBondContact CD-OE1 3.41Å; K61-E152 WeakPolarHBondContact CE-OE2 3.16Å; K61-E152 VanDerWaalsContact NZ-CD 3.31Å; K61-E152 IonicContact NZ-OE1 3.4Å; K61-E152 PolarHBondContact NZ-OE1 2.75Å; K61-E152 IonicContact NZ-OE2 4Å; K61-E152 PolarHBondContact NZ-OE2 3.23Å |
| 62 | N | 84.7 | Confident | 89.6 | Confident | 62 Ų | 62 | 35.3 Ų | 35.3 | 33% | 0.332 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -85.3 | -14.7 | -178.7 | -73.2 | -64.2 | 0 | 0 | 0 | 114.9 | S58 G59 G74 K75 F110 C111 | S58-N62 VanDerWaalsContact O-CB 3.24Å; S58-N62 WeakPolarHBondContact O-CB 3.42Å; S58-N62 PolarHBondContact O-N 3.38Å; S58-N62 PolarHBondContact O-ND2 3.2Å; G59-N62 PolarHBondContact O-N 3.17Å; N62-G74 WeakPolarHBondContact O-CA 3.23Å; N62-K75 PolarHBondContact O-N 2.86Å; N62-F110 WeakPolarHBondContact OD1-CD1 3.35Å; N62-C111 PolarHBondContact O-SG 2.91Å |
| 63 | G | 88.9 | Confident | 89.6 | Confident | 13 Ų | 13 | 32.7 Ų | 32.7 | 13% | 0.134 | 18% | 0.183 | C | C | . | . | trans | 61.5 | 175.2 | -163.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | G59 L73 | G59-G63 CarbonylContact O-C 3.52Å; G59-G63 WeakPolarHBondContact O-CA 3.3Å; G59-G63 PolarHBondContact O-N 2.84Å; G63-L73 VanDerWaalsContact CA-O 3.24Å; G63-L73 WeakPolarHBondContact CA-O 3.4Å | ||
| 64 | F | 90.2 | Very high | 88.7 | Confident | 21 Ų | 21 | 32.8 Ų | 32.8 | 9% | 0.092 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.8 | 163.1 | -169.3 | 54.1 | -92.3 | 0 | 0 | 0 | 111.6 | V51 F53 R55 G59 Y60 F71 W72 | V51-F64 HydrophobicContact CG1-CD2 3.83Å; V51-F64 HydrophobicContact CG1-CE2 4.27Å; F53-F64 HydrophobicContact CB-CE2 4.34Å; F53-F64 HydrophobicContact CB-CZ 4.36Å; F53-F64 AromaticContact CD1-CE2 3.75Å; F53-F64 HydrophobicContact CD1-CE2 3.75Å; F53-F64 AromaticContact CD1-CZ 3.67Å; F53-F64 HydrophobicContact CD1-CZ 3.67Å; F53-F64 AromaticContact CD2-CE2 3.67Å; F53-F64 HydrophobicContact CD2-CE2 3.67Å; F53-F64 HydrophobicContact CD2-CZ 4.37Å; F53-F64 AromaticContact CE1-CE2 3.83Å; F53-F64 HydrophobicContact CE1-CE2 3.83Å; F53-F64 AromaticContact CE1-CZ 3.93Å; F53-F64 HydrophobicContact CE1-CZ 3.93Å; F53-F64 AromaticContact CE2-CE2 3.74Å; F53-F64 HydrophobicContact CE2-CE2 3.74Å; F53-F64 AromaticContact CG-CE2 3.66Å; F53-F64 HydrophobicContact CG-CE2 3.66Å; F53-F64 AromaticContact CG-CZ 3.9Å; F53-F64 HydrophobicContact CG-CZ 3.9Å; F53-F64 AromaticContact CZ-CE2 3.82Å; F53-F64 HydrophobicContact CZ-CE2 3.82Å; F53-F64 HydrophobicContact CZ-CZ 4.38Å; R55-F64 HydrophobicContact CB-CD1 4.32Å; R55-F64 HydrophobicContact CB-CE1 4Å; R55-F64 HydrophobicContact CB-CZ 4.47Å; R55-F64 HydrophobicContact CG-CD1 3.72Å; R55-F64 HydrophobicContact CG-CD2 4.22Å; R55-F64 HydrophobicContact CG-CE1 3.57Å; R55-F64 HydrophobicContact CG-CE2 4.09Å; R55-F64 HydrophobicContact CG-CG 4.04Å; R55-F64 HydrophobicContact CG-CZ 3.76Å; G59-F64 WeakPolarHBondContact O-CD1 3.27Å; Y60-F64 AromaticContact CD1-CE1 3.92Å; Y60-F64 HydrophobicContact CD1-CE1 3.92Å; Y60-F64 HydrophobicContact CD1-CZ 4.36Å; Y60-F64 HydrophobicContact CD2-CE1 4.34Å; Y60-F64 AromaticContact CE1-CE1 3.91Å; Y60-F64 HydrophobicContact CE1-CE1 3.91Å; Y60-F64 AromaticContact CE1-CZ 3.88Å; Y60-F64 HydrophobicContact CE1-CZ 3.88Å; Y60-F64 HydrophobicContact CE2-CE1 4.33Å; Y60-F64 HydrophobicContact CE2-CZ 4.49Å; Y60-F64 HydrophobicContact CG-CE1 4.16Å; Y60-F64 AromaticContact CZ-CZ 3.97Å; F64-F71 WeakPolarHBondContact O-CA 3.37Å; F64-F71 VanDerWaalsContact O-CB 3.3Å; F64-F71 WeakPolarHBondContact O-CB 3.35Å; F64-W72 HydrophobicContact CD1-CB 4.01Å; F64-W72 HydrophobicContact CD2-CB 4.37Å; F64-W72 HydrophobicContact CE1-CB 3.51Å; F64-W72 HydrophobicContact CE1-CG 4.06Å; F64-W72 HydrophobicContact CE2-CB 3.91Å; F64-W72 HydrophobicContact CG-CB 4.43Å; F64-W72 HydrophobicContact CZ-CB 3.46Å; F64-W72 VanDerWaalsContact CZ-CB 3.46Å; F64-W72 HydrophobicContact CZ-CG 4.29Å; F64-W72 PolarHBondContact N-O 2.83Å; F64-W72 PolarHBondContact O-N 2.89Å; F64-W72 VanDerWaalsContact O-O 3.1Å |
| 65 | G | 90.6 | Very high | 87.1 | Confident | 29 Ų | 29 | 33.4 Ų | 33.4 | 30% | 0.299 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 91.2 | -167.3 | -179 | 0 | 0 | 0 | 0 | 0 | 112.9 | E70 Q76 | G65-E70 CarbonylContact C-O 3.59Å; G65-E70 VanDerWaalsContact CA-O 3.27Å; G65-E70 WeakPolarHBondContact CA-O 3.26Å; G65-Q76 PolarHBondContact O-NE2 2.75Å |
| 66 | S | 89.6 | Confident | 85.3 | Confident | 31 Ų | 31 | 31 Ų | 31 | 22% | 0.217 | 18% | 0.178 | C | C | . | . | trans | -127.2 | 141.5 | -177.5 | 176.2 | 0 | 0 | 0 | 0 | 111.5 | D68 H69 E70 F71 Q76 | S66-D68 PolarHBondContact O-N 2.83Å; S66-D68 PolarHBondContact OG-N 2.97Å; S66-D68 PolarHBondContact OG-OD2 2.87Å; S66-H69 CarbonylContact O-C 3.59Å; S66-H69 VanDerWaalsContact O-C 3.22Å; S66-H69 PolarHBondContact O-N 3.27Å; S66-E70 PolarHBondContact N-O 2.99Å; S66-F71 WeakPolarHBondContact O-CD1 3.19Å; S66-Q76 VanDerWaalsContact CA-NE2 3.34Å | ||
| 67 | Y | 89.9 | Confident | 83.3 | Confident | 9 Ų | 9 | 35.2 Ų | 35.2 | 4% | 0.035 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -10.4 | 170 | -70 | -30.7 | 0 | 0 | 0 | 113.8 | V12 K28 F30 R45 H69 F71 L73 Q76 | V12-Y67 HydrophobicContact CB-CD2 4.41Å; V12-Y67 HydrophobicContact CG1-CD2 3.84Å; V12-Y67 HydrophobicContact CG1-CE2 4.2Å; V12-Y67 HydrophobicContact CG2-CD2 3.62Å; V12-Y67 HydrophobicContact CG2-CG 3.87Å; K28-Y67 HydrophobicContact CB-CE2 3.87Å; K28-Y67 WeakPolarHBondContact O-CE2 3.4Å; K28-Y67 PolarHBondContact O-OH 2.81Å; F30-Y67 HydrophobicContact CB-CD1 3.84Å; F30-Y67 HydrophobicContact CB-CE1 4.2Å; F30-Y67 HydrophobicContact CB-CG 4.18Å; F30-Y67 WeakPolarHBondContact CD2-O 3.22Å; R45-Y67 VanDerWaalsContact NH2-C 3.28Å; R45-Y67 PolarHBondContact NH2-O 3.5Å; Y67-H69 VanDerWaalsContact C-N 3.35Å; Y67-F71 AromaticContact CD1-CD1 3.86Å; Y67-F71 HydrophobicContact CD1-CD1 3.86Å; Y67-F71 AromaticContact CD1-CD2 3.92Å; Y67-F71 HydrophobicContact CD1-CD2 3.92Å; Y67-F71 AromaticContact CD1-CE1 3.75Å; Y67-F71 HydrophobicContact CD1-CE1 3.75Å; Y67-F71 AromaticContact CD1-CE2 3.82Å; Y67-F71 HydrophobicContact CD1-CE2 3.82Å; Y67-F71 AromaticContact CD1-CG 3.95Å; Y67-F71 HydrophobicContact CD1-CG 3.95Å; Y67-F71 AromaticContact CD1-CZ 3.72Å; Y67-F71 HydrophobicContact CD1-CZ 3.72Å; Y67-F71 AromaticContact CE1-CD2 3.77Å; Y67-F71 HydrophobicContact CE1-CD2 3.77Å; Y67-F71 HydrophobicContact CE1-CE1 4.38Å; Y67-F71 AromaticContact CE1-CE2 3.6Å; Y67-F71 HydrophobicContact CE1-CE2 3.6Å; Y67-F71 HydrophobicContact CE1-CG 4.25Å; Y67-F71 AromaticContact CE1-CZ 3.92Å; Y67-F71 HydrophobicContact CE1-CZ 3.92Å; Y67-L73 HydrophobicContact CE1-CD1 4.15Å; Y67-L73 WeakPolarHBondContact OH-CD1 3.35Å; Y67-Q76 HydrophobicContact CD2-CG 3.33Å; Y67-Q76 HydrophobicContact CE2-CG 3.43Å; Y67-Q76 VanDerWaalsContact CE2-CG 3.43Å; Y67-Q76 HydrophobicContact CG-CG 3.96Å |
| 68 | D | 87.5 | Confident | 81.3 | Confident | 124 Ų | 124 | 40 Ų | 40 | 66% | 0.663 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -21.4 | 170 | -55.5 | -39.4 | 0 | 0 | 0 | 111.6 | R45 S66 | R45-D68 VanDerWaalsContact NH2-C 3.26Å; S66-D68 PolarHBondContact O-N 2.83Å; S66-D68 PolarHBondContact OG-N 2.97Å; S66-D68 PolarHBondContact OG-OD2 2.87Å |
| 69 | H | 88.5 | Confident | 79.3 | Confident | 79 Ų | 79 | 39 Ų | 39 | 37% | 0.366 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -140.7 | -128.8 | -172.4 | -65.1 | -32.4 | 0 | 0 | 0 | 112.4 | R45 Q47 S66 Y67 | R45-H69 PolarHBondContact NE-O 2.65Å; R45-H69 VanDerWaalsContact NH2-N 3.15Å; R45-H69 PolarHBondContact NH2-O 2.76Å; Q47-H69 VanDerWaalsContact NE2-CA 3.32Å; Q47-H69 PolarHBondContact NE2-ND1 3.3Å; S66-H69 CarbonylContact O-C 3.59Å; S66-H69 VanDerWaalsContact O-C 3.22Å; S66-H69 PolarHBondContact O-N 3.27Å; Y67-H69 VanDerWaalsContact C-N 3.35Å |
| 70 | E | 93.4 | Very high | 77.1 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | trans | -87.1 | 141.6 | 179.6 | -61.5 | -175.8 | 136.5 | 0 | 0 | 110.6 | R45 Q47 N48 G49 R50 V51 F53 G65 S66 F218 | R45-E70 VanDerWaalsContact O-CA 3.22Å; R45-E70 WeakPolarHBondContact O-CA 3.13Å; R45-E70 WeakPolarHBondContact O-CB 3.27Å; Q47-E70 HydrophobicContact CG-CG 3.48Å; Q47-E70 VanDerWaalsContact CG-CG 3.48Å; Q47-E70 PolarHBondContact N-OE1 3.22Å; N48-E70 PolarHBondContact N-OE1 3.07Å; G49-E70 VanDerWaalsContact C-OE2 3.31Å; G49-E70 VanDerWaalsContact CA-OE2 3.3Å; G49-E70 WeakPolarHBondContact CA-OE2 3.31Å; G49-E70 VanDerWaalsContact N-CD 3.3Å; G49-E70 PolarHBondContact N-OE1 3.43Å; G49-E70 PolarHBondContact N-OE2 2.88Å; R50-E70 PolarHBondContact N-OE2 2.85Å; V51-E70 HydrophobicContact CB-CB 3.77Å; V51-E70 HydrophobicContact CG2-CB 3.8Å; V51-E70 WeakPolarHBondContact CG2-O 3.26Å; V51-E70 PolarHBondContact N-OE2 2.87Å; F53-E70 HydrophobicContact CE2-CB 4.21Å; G65-E70 CarbonylContact C-O 3.59Å; G65-E70 VanDerWaalsContact CA-O 3.27Å; G65-E70 WeakPolarHBondContact CA-O 3.26Å; S66-E70 PolarHBondContact N-O 2.99Å; E70-F218 WeakPolarHBondContact OE1-CE2 3.22Å | ||
| 71 | F | 93.5 | Very high | 74.8 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 0% | 0.004 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 153.2 | 176.4 | 67.5 | -86.5 | 0 | 0 | 0 | 111.9 | F30 V42 Q44 R45 F53 F64 S66 Y67 | F30-F71 HydrophobicContact CB-CE1 4.4Å; F30-F71 HydrophobicContact CB-CZ 3.98Å; V42-F71 HydrophobicContact CB-CZ 3.96Å; V42-F71 HydrophobicContact CG1-CE1 4.34Å; V42-F71 HydrophobicContact CG1-CE2 4.37Å; V42-F71 HydrophobicContact CG1-CZ 3.62Å; V42-F71 WeakPolarHBondContact O-CE2 3.36Å; Q44-F71 WeakPolarHBondContact CA-O 3.36Å; R45-F71 HydrophobicContact CB-CD1 3.99Å; R45-F71 HydrophobicContact CB-CE1 3.71Å; R45-F71 HydrophobicContact CB-CZ 4.32Å; R45-F71 PolarHBondContact N-O 2.89Å; R45-F71 PolarHBondContact O-N 2.92Å; F53-F71 WeakPolarHBondContact CZ-O 3.49Å; F64-F71 WeakPolarHBondContact O-CA 3.37Å; F64-F71 VanDerWaalsContact O-CB 3.3Å; F64-F71 WeakPolarHBondContact O-CB 3.35Å; S66-F71 WeakPolarHBondContact O-CD1 3.19Å; Y67-F71 AromaticContact CD1-CD1 3.86Å; Y67-F71 HydrophobicContact CD1-CD1 3.86Å; Y67-F71 AromaticContact CD1-CD2 3.92Å; Y67-F71 HydrophobicContact CD1-CD2 3.92Å; Y67-F71 AromaticContact CD1-CE1 3.75Å; Y67-F71 HydrophobicContact CD1-CE1 3.75Å; Y67-F71 AromaticContact CD1-CE2 3.82Å; Y67-F71 HydrophobicContact CD1-CE2 3.82Å; Y67-F71 AromaticContact CD1-CG 3.95Å; Y67-F71 HydrophobicContact CD1-CG 3.95Å; Y67-F71 AromaticContact CD1-CZ 3.72Å; Y67-F71 HydrophobicContact CD1-CZ 3.72Å; Y67-F71 AromaticContact CE1-CD2 3.77Å; Y67-F71 HydrophobicContact CE1-CD2 3.77Å; Y67-F71 HydrophobicContact CE1-CE1 4.38Å; Y67-F71 AromaticContact CE1-CE2 3.6Å; Y67-F71 HydrophobicContact CE1-CE2 3.6Å; Y67-F71 HydrophobicContact CE1-CG 4.25Å; Y67-F71 AromaticContact CE1-CZ 3.92Å; Y67-F71 HydrophobicContact CE1-CZ 3.92Å |
| 72 | W | 93.4 | Very high | 72.7 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 134.2 | 151.9 | -178.8 | -95.2 | 0 | 0 | 0 | 106.3 | Q44 F53 Y60 F64 G74 N112 I115 F179 W203 N215 | Q44-W72 HydrophobicContact CB-CE3 3.87Å; Q44-W72 HydrophobicContact CB-CZ3 4.02Å; Q44-W72 HydrophobicContact CG-CE3 3.63Å; Q44-W72 HydrophobicContact CG-CZ3 3.96Å; F53-W72 HydrophobicContact CE1-CB 4.19Å; Y60-W72 AromaticContact CD1-CD1 3.92Å; Y60-W72 AromaticContact CD1-CD2 3.74Å; Y60-W72 HydrophobicContact CD1-CD2 3.74Å; Y60-W72 AromaticContact CD1-CE2 3.75Å; Y60-W72 HydrophobicContact CD1-CE3 4.32Å; Y60-W72 AromaticContact CD1-CG 3.86Å; Y60-W72 HydrophobicContact CD1-CG 3.86Å; Y60-W72 HydrophobicContact CD1-CZ2 4.33Å; Y60-W72 AromaticContact CD1-NE1 3.82Å; Y60-W72 AromaticContact CE1-CD2 3.9Å; Y60-W72 HydrophobicContact CE1-CD2 3.9Å; Y60-W72 HydrophobicContact CE1-CE3 4.05Å; Y60-W72 HydrophobicContact CE1-CG 4.15Å; Y60-W72 PolarHBondContact O-NE1 3.38Å; F64-W72 HydrophobicContact CD1-CB 4.01Å; F64-W72 HydrophobicContact CD2-CB 4.37Å; F64-W72 HydrophobicContact CE1-CB 3.51Å; F64-W72 HydrophobicContact CE1-CG 4.06Å; F64-W72 HydrophobicContact CE2-CB 3.91Å; F64-W72 HydrophobicContact CG-CB 4.43Å; F64-W72 HydrophobicContact CZ-CB 3.46Å; F64-W72 VanDerWaalsContact CZ-CB 3.46Å; F64-W72 HydrophobicContact CZ-CG 4.29Å; F64-W72 PolarHBondContact N-O 2.83Å; F64-W72 PolarHBondContact O-N 2.89Å; F64-W72 VanDerWaalsContact O-O 3.1Å; W72-G74 PolarHBondContact O-N 3.15Å; W72-G74 VanDerWaalsContact O-N 3.13Å; W72-N112 WeakPolarHBondContact CZ2-OD1 3.06Å; W72-N112 PolarHBondContact NE1-OD1 2.97Å; W72-I115 HydrophobicContact CZ2-CD1 4.1Å; W72-F179 HydrophobicContact CH2-CE2 4.16Å; W72-F179 HydrophobicContact CH2-CZ 4.5Å; W72-F179 HydrophobicContact CZ2-CE2 4.17Å; W72-F179 HydrophobicContact CZ2-CZ 4.28Å; W72-W203 AromaticContact CH2-CH2 3.88Å; W72-W203 HydrophobicContact CH2-CH2 3.88Å; W72-W203 HydrophobicContact CH2-CZ3 4.45Å; W72-N215 WeakPolarHBondContact CZ3-ND2 3.14Å |
| 73 | L | 90.3 | Very high | 70.8 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -45.8 | 127.2 | -173.7 | -174 | 65.5 | 0 | 0 | 0 | 108.9 | L29 I43 G63 Y67 C111 I114 I115 | L29-L73 HydrophobicContact CD2-CD1 3.83Å; L29-L73 HydrophobicContact CD2-CD2 4.27Å; I43-L73 HydrophobicContact CB-CB 4.32Å; I43-L73 HydrophobicContact CG2-CD2 4.22Å; I43-L73 WeakPolarHBondContact O-CB 3.41Å; I43-L73 PolarHBondContact O-N 2.7Å; G63-L73 VanDerWaalsContact CA-O 3.24Å; G63-L73 WeakPolarHBondContact CA-O 3.4Å; Y67-L73 HydrophobicContact CE1-CD1 4.15Å; Y67-L73 WeakPolarHBondContact OH-CD1 3.35Å; L73-C111 WeakPolarHBondContact O-CB 3.34Å; L73-I114 HydrophobicContact CD2-CB 4.47Å; L73-I114 HydrophobicContact CD2-CG2 3.87Å; L73-I115 HydrophobicContact CB-CD1 4.41Å; L73-I115 HydrophobicContact CD2-CG1 3.85Å |
| 74 | G | 71.9 | Confident | 68.7 | Low | 4 Ų | 4 | 61.1 Ų | 61.1 | 4% | 0.041 | 31% | 0.306 | C | S | . | . | trans | -165.3 | 149.8 | -152.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | N62 W72 Q76 C111 | N62-G74 WeakPolarHBondContact O-CA 3.23Å; W72-G74 PolarHBondContact O-N 3.15Å; W72-G74 VanDerWaalsContact O-N 3.13Å; G74-Q76 PolarHBondContact O-N 3.08Å; G74-Q76 VanDerWaalsContact O-N 3.08Å; G74-C111 WeakPolarHBondContact CA-SG 3.44Å | ||
| 75 | K | 58.1 | Low | 66.8 | Low | 91 Ų | 91 | 64.4 Ų | 64.4 | 40% | 0.396 | 33% | 0.327 | S | S | . | . | trans | -60.7 | 119.9 | 166.9 | -124.8 | -175.3 | -180 | 174.7 | 0 | 107.9 | N62 W79 I107 C111 | N62-K75 PolarHBondContact O-N 2.86Å; K75-W79 HydrophobicContact CD-CG 4.41Å; K75-W79 VanDerWaalsContact NZ-CD1 3.32Å; K75-I107 PolarHBondContact NZ-O 3.19Å; K75-C111 PolarHBondContact N-SG 3.48Å | ||
| 76 | Q | 53 | Low | 64.6 | Low | 37 Ų | 37 | 65.6 Ų | 65.6 | 17% | 0.173 | 33% | 0.334 | C | S | . | . | trans | -66.8 | 138.9 | 160.3 | -68.8 | -61.2 | -38.6 | 0 | 0 | 107.5 | G65 S66 Y67 G74 F78 | G65-Q76 PolarHBondContact O-NE2 2.75Å; S66-Q76 VanDerWaalsContact CA-NE2 3.34Å; Y67-Q76 HydrophobicContact CD2-CG 3.33Å; Y67-Q76 HydrophobicContact CE2-CG 3.43Å; Y67-Q76 VanDerWaalsContact CE2-CG 3.43Å; Y67-Q76 HydrophobicContact CG-CG 3.96Å; G74-Q76 PolarHBondContact O-N 3.08Å; G74-Q76 VanDerWaalsContact O-N 3.08Å; Q76-F78 VanDerWaalsContact C-N 3.28Å; Q76-F78 PolarHBondContact O-N 3.18Å | ||
| 77 | P | 46.9 | Very low | 62.5 | Low | 107 Ų | 107 | 72 Ų | 72 | 70% | 0.695 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -65.3 | 87.6 | -175.7 | 25.5 | -32.8 | 0 | 0 | 0 | 110.8 | ||
| 78 | F | 44.9 | Very low | 60.5 | Low | 115 Ų | 115 | 82.2 Ų | 82.2 | 50% | 0.504 | 39% | 0.393 | S | S | . | . | trans | -101.9 | -12.9 | 159.8 | -147.9 | -99 | 0 | 0 | 0 | 110.7 | Q76 M80 L81 | Q76-F78 VanDerWaalsContact C-N 3.28Å; Q76-F78 PolarHBondContact O-N 3.18Å; F78-M80 PolarHBondContact O-N 3.3Å; F78-L81 HydrophobicContact CD2-CD1 4.45Å; F78-L81 HydrophobicContact CE1-CB 4.43Å; F78-L81 HydrophobicContact CE2-CD1 4.06Å; F78-L81 HydrophobicContact CZ-CD1 4.1Å; F78-L81 PolarHBondContact O-N 3.13Å | ||
| 79 | W | 46 | Very low | 58.5 | Low | 48 Ų | 48 | 79.3 Ų | 79.3 | 18% | 0.182 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.8 | -21.5 | -176 | -104.6 | 153.5 | 0 | 0 | 0 | 114.3 | K75 L81 L82 Y83 I107 Y108 | K75-W79 HydrophobicContact CD-CG 4.41Å; K75-W79 VanDerWaalsContact NZ-CD1 3.32Å; W79-L81 PolarHBondContact O-N 2.91Å; W79-L82 HydrophobicContact CE3-CB 3.66Å; W79-L82 HydrophobicContact CE3-CD1 3.89Å; W79-L82 HydrophobicContact CE3-CG 4.34Å; W79-L82 HydrophobicContact CH2-CD1 4.2Å; W79-L82 HydrophobicContact CZ3-CB 3.42Å; W79-L82 VanDerWaalsContact CZ3-CB 3.42Å; W79-L82 HydrophobicContact CZ3-CD1 3.44Å; W79-L82 VanDerWaalsContact CZ3-CD1 3.44Å; W79-L82 HydrophobicContact CZ3-CG 4.07Å; W79-Y83 WeakPolarHBondContact O-CB 3.36Å; W79-Y83 PolarHBondContact O-N 2.78Å; W79-I107 HydrophobicContact CH2-CB 3.82Å; W79-I107 HydrophobicContact CH2-CD1 3.75Å; W79-I107 HydrophobicContact CH2-CG1 4.4Å; W79-I107 HydrophobicContact CH2-CG2 3.4Å; W79-I107 VanDerWaalsContact CH2-CG2 3.4Å; W79-I107 HydrophobicContact CZ2-CB 3.42Å; W79-I107 VanDerWaalsContact CZ2-CB 3.42Å; W79-I107 HydrophobicContact CZ2-CD1 4.27Å; W79-I107 HydrophobicContact CZ2-CG1 4.46Å; W79-I107 HydrophobicContact CZ2-CG2 3.04Å; W79-Y108 AromaticContact CD1-CE1 3.57Å; W79-Y108 AromaticContact NE1-CD1 3.49Å; W79-Y108 AromaticContact NE1-CE1 3.16Å; W79-Y108 AromaticContact NE1-CZ 3.71Å |
| 80 | M | 41.7 | Very low | 56.5 | Low | 135 Ų | 135 | 80.8 Ų | 80.8 | 67% | 0.665 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -68.2 | -19.8 | 172.3 | -81.1 | -116.9 | -72 | 0 | 0 | 114 | F78 K84 | F78-M80 PolarHBondContact O-N 3.3Å; M80-K84 WeakPolarHBondContact O-CG 3.39Å |
| 81 | L | 40.3 | Very low | 54.2 | Low | 102 Ų | 102 | 88.5 Ų | 88.5 | 53% | 0.534 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -85 | -42.5 | 179.2 | -95.5 | 148.3 | 0 | 0 | 0 | 112.2 | F78 W79 K84 V85 | F78-L81 HydrophobicContact CD2-CD1 4.45Å; F78-L81 HydrophobicContact CE1-CB 4.43Å; F78-L81 HydrophobicContact CE2-CD1 4.06Å; F78-L81 HydrophobicContact CZ-CD1 4.1Å; F78-L81 PolarHBondContact O-N 3.13Å; W79-L81 PolarHBondContact O-N 2.91Å; L81-K84 PolarHBondContact O-N 3.23Å; L81-V85 WeakPolarHBondContact O-CG2 3.32Å; L81-V85 PolarHBondContact O-N 2.88Å; L81-V85 VanDerWaalsContact O-N 3.17Å |
| 82 | L | 44.1 | Very low | 51.9 | Low | 90 Ų | 90 | 94 Ų | 94 | 47% | 0.471 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -74 | -32 | 177.7 | -67.3 | 171.6 | 0 | 0 | 0 | 112.3 | W79 K84 V85 A86 | W79-L82 HydrophobicContact CE3-CB 3.66Å; W79-L82 HydrophobicContact CE3-CD1 3.89Å; W79-L82 HydrophobicContact CE3-CG 4.34Å; W79-L82 HydrophobicContact CH2-CD1 4.2Å; W79-L82 HydrophobicContact CZ3-CB 3.42Å; W79-L82 VanDerWaalsContact CZ3-CB 3.42Å; W79-L82 HydrophobicContact CZ3-CD1 3.44Å; W79-L82 VanDerWaalsContact CZ3-CD1 3.44Å; W79-L82 HydrophobicContact CZ3-CG 4.07Å; L82-K84 VanDerWaalsContact C-N 3.34Å; L82-K84 PolarHBondContact O-N 2.96Å; L82-V85 PolarHBondContact O-N 2.84Å; L82-A86 WeakPolarHBondContact O-CB 3.38Å; L82-A86 PolarHBondContact O-N 2.83Å |
| 83 | Y | 44.4 | Very low | 49.7 | Very low | 132 Ų | 132 | 100.6 Ų | 100.6 | 52% | 0.518 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.2 | -38.8 | 174.2 | -156.4 | -93.2 | 0 | 0 | 0 | 111.7 | W79 Y87 | W79-Y83 WeakPolarHBondContact O-CB 3.36Å; W79-Y83 PolarHBondContact O-N 2.78Å; Y83-Y87 AromaticContact CD1-CD2 3.9Å; Y83-Y87 HydrophobicContact CD1-CD2 3.9Å; Y83-Y87 HydrophobicContact CD1-CE2 4.32Å; Y83-Y87 AromaticContact CE1-CD2 3.48Å; Y83-Y87 HydrophobicContact CE1-CD2 3.48Å; Y83-Y87 VanDerWaalsContact CE1-CD2 3.48Å; Y83-Y87 AromaticContact CE1-CE2 3.44Å; Y83-Y87 HydrophobicContact CE1-CE2 3.44Å; Y83-Y87 VanDerWaalsContact CE1-CE2 3.44Å; Y83-Y87 AromaticContact CZ-CE2 3.7Å; Y83-Y87 WeakPolarHBondContact O-CB 3.46Å; Y83-Y87 PolarHBondContact O-N 2.82Å |
| 84 | K | 45.8 | Very low | 47.9 | Very low | 128 Ų | 128 | 104.1 Ų | 104.1 | 56% | 0.557 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -68.7 | -33.8 | 174.9 | -78 | -179.2 | 178.3 | -177.4 | 0 | 113.3 | M80 L81 L82 R88 | M80-K84 WeakPolarHBondContact O-CG 3.39Å; L81-K84 PolarHBondContact O-N 3.23Å; L82-K84 VanDerWaalsContact C-N 3.34Å; L82-K84 PolarHBondContact O-N 2.96Å; K84-R88 WeakPolarHBondContact O-CB 3.26Å; K84-R88 VanDerWaalsContact O-CG 3.26Å; K84-R88 WeakPolarHBondContact O-CG 3.33Å; K84-R88 PolarHBondContact O-N 2.92Å; K84-R88 VanDerWaalsContact O-N 3.16Å |
| 85 | V | 48.5 | Very low | 47 | Very low | 90 Ų | 90 | 108.9 Ų | 108.9 | 55% | 0.545 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -75 | -43.8 | 176.8 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | L81 L82 R88 A89 | L81-V85 WeakPolarHBondContact O-CG2 3.32Å; L81-V85 PolarHBondContact O-N 2.88Å; L81-V85 VanDerWaalsContact O-N 3.17Å; L82-V85 PolarHBondContact O-N 2.84Å; V85-R88 PolarHBondContact O-N 2.89Å; V85-A89 VanDerWaalsContact O-CB 3.31Å; V85-A89 WeakPolarHBondContact O-CB 3.4Å; V85-A89 PolarHBondContact O-N 2.86Å |
| 86 | A | 45.6 | Very low | 46.9 | Very low | 53 Ų | 53 | 106.5 Ų | 106.5 | 44% | 0.438 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -61.3 | -45.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L82 R88 A89 V90 | L82-A86 WeakPolarHBondContact O-CB 3.38Å; L82-A86 PolarHBondContact O-N 2.83Å; A86-R88 VanDerWaalsContact C-N 3.32Å; A86-R88 PolarHBondContact O-N 3.43Å; A86-A89 PolarHBondContact O-N 2.88Å; A86-A89 VanDerWaalsContact O-N 3.12Å; A86-V90 WeakPolarHBondContact O-CG2 3.22Å; A86-V90 PolarHBondContact O-N 3Å; A86-V90 VanDerWaalsContact O-N 3.15Å |
| 87 | Y | 45.3 | Very low | 47.1 | Very low | 165 Ų | 165 | 112.8 Ų | 112.8 | 65% | 0.647 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.2 | -34 | 176 | -114.1 | -93.1 | 0 | 0 | 0 | 113.6 | Y83 A89 | Y83-Y87 AromaticContact CD1-CD2 3.9Å; Y83-Y87 HydrophobicContact CD1-CD2 3.9Å; Y83-Y87 HydrophobicContact CD1-CE2 4.32Å; Y83-Y87 AromaticContact CE1-CD2 3.48Å; Y83-Y87 HydrophobicContact CE1-CD2 3.48Å; Y83-Y87 VanDerWaalsContact CE1-CD2 3.48Å; Y83-Y87 AromaticContact CE1-CE2 3.44Å; Y83-Y87 HydrophobicContact CE1-CE2 3.44Å; Y83-Y87 VanDerWaalsContact CE1-CE2 3.44Å; Y83-Y87 AromaticContact CZ-CE2 3.7Å; Y83-Y87 WeakPolarHBondContact O-CB 3.46Å; Y83-Y87 PolarHBondContact O-N 2.82Å; Y87-A89 VanDerWaalsContact C-N 3.33Å |
| 88 | R | 48.3 | Very low | 47.2 | Very low | 224 Ų | 224 | 111.3 Ų | 111.3 | 85% | 0.845 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -77.3 | -19.6 | 175.5 | -76.8 | 178 | 175.4 | -176.6 | -3 | 113.3 | K84 V85 A86 | K84-R88 WeakPolarHBondContact O-CB 3.26Å; K84-R88 VanDerWaalsContact O-CG 3.26Å; K84-R88 WeakPolarHBondContact O-CG 3.33Å; K84-R88 PolarHBondContact O-N 2.92Å; K84-R88 VanDerWaalsContact O-N 3.16Å; V85-R88 PolarHBondContact O-N 2.89Å; A86-R88 VanDerWaalsContact C-N 3.32Å; A86-R88 PolarHBondContact O-N 3.43Å |
| 89 | A | 44.4 | Very low | 47.4 | Very low | 63 Ų | 63 | 111.5 Ų | 111.5 | 52% | 0.521 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -94.6 | -6.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | V85 A86 Y87 N91 | V85-A89 VanDerWaalsContact O-CB 3.31Å; V85-A89 WeakPolarHBondContact O-CB 3.4Å; V85-A89 PolarHBondContact O-N 2.86Å; A86-A89 PolarHBondContact O-N 2.88Å; A86-A89 VanDerWaalsContact O-N 3.12Å; Y87-A89 VanDerWaalsContact C-N 3.33Å; A89-N91 PolarHBondContact O-N 2.9Å |
| 90 | V | 47.3 | Very low | 47.5 | Very low | 110 Ų | 110 | 112.5 Ų | 112.5 | 67% | 0.667 | 61% | 0.607 | S | S | * | * | trans | -77.5 | 73.6 | 172.9 | -164.7 | 0 | 0 | 0 | 0 | 110.1 | A86 | A86-V90 WeakPolarHBondContact O-CG2 3.22Å; A86-V90 PolarHBondContact O-N 3Å; A86-V90 VanDerWaalsContact O-N 3.15Å | ||
| 91 | N | 44.8 | Very low | 47.9 | Very low | 162 Ų | 162 | 110.5 Ų | 110.5 | 87% | 0.866 | 60% | 0.598 | S | S | * | * | trans | -121 | 55.9 | 144.5 | -156.5 | 18.5 | 0 | 0 | 0 | 107 | A89 | A89-N91 PolarHBondContact O-N 2.9Š| ||
| 92 | M | 44.5 | Very low | 48.1 | Very low | 117 Ų | 117 | 112.7 Ų | 112.7 | 58% | 0.576 | 60% | 0.604 | S | S | * | * | trans | -132.4 | 103.4 | 178.8 | -81.1 | -171.9 | 62.1 | 0 | 0 | 110 | A94 | M92-A94 HydrophobicContact CE-CB 4.3Å; M92-A94 PolarHBondContact O-N 2.82Å | ||
| 93 | S | 47.9 | Very low | 47.9 | Very low | 139 Ų | 139 | 111 Ų | 111 | 97% | 0.972 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | 32.3 | 169.7 | 53.4 | 0 | 0 | 0 | 0 | 113.7 | ||
| 94 | A | 52.4 | Low | 48 | Very low | 74 Ų | 74 | 106.6 Ų | 106.6 | 61% | 0.612 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.5 | -3.3 | -165.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | M92 | M92-A94 HydrophobicContact CE-CB 4.3Å; M92-A94 PolarHBondContact O-N 2.82Å |
| 95 | L | 52.4 | Low | 47.7 | Very low | 105 Ų | 105 | 103 Ų | 103 | 55% | 0.55 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -124.8 | 119 | 173 | -82.7 | 159 | 0 | 0 | 0 | 108.8 | F97 V100 | L95-F97 PolarHBondContact O-N 2.88Å; L95-V100 HydrophobicContact CB-CG2 4.17Å |
| 96 | G | 57.1 | Low | 47.4 | Very low | 41 Ų | 41 | 105.1 Ų | 105.1 | 42% | 0.423 | 59% | 0.592 | S | S | . | * | trans | -59.6 | 138.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110 | A98 E99 V100 | G96-A98 PolarHBondContact O-N 3.28Å; G96-E99 PolarHBondContact O-N 3.28Å; G96-V100 PolarHBondContact O-N 3.4Å | ||
| 97 | F | 56.5 | Low | 47.5 | Very low | 168 Ų | 168 | 105.5 Ų | 105.5 | 74% | 0.737 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -49.9 | -30.4 | -179.9 | -164.1 | -101.9 | 0 | 0 | 0 | 112.9 | L95 L101 | L95-F97 PolarHBondContact O-N 2.88Å; F97-L101 HydrophobicContact CD1-CD1 3.62Å; F97-L101 HydrophobicContact CD1-CG 4.41Å; F97-L101 HydrophobicContact CE1-CD1 3.63Å; F97-L101 HydrophobicContact CE1-CG 4.36Å; F97-L101 WeakPolarHBondContact O-CB 3.34Å; F97-L101 WeakPolarHBondContact O-CG 3.37Å; F97-L101 PolarHBondContact O-N 2.91Å |
| 98 | A | 49.4 | Very low | 47.5 | Very low | 76 Ų | 76 | 101.7 Ų | 101.7 | 63% | 0.628 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.1 | -36.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | G96 L101 K102 | G96-A98 PolarHBondContact O-N 3.28Å; A98-L101 PolarHBondContact O-N 3.12Å; A98-K102 WeakPolarHBondContact O-CB 3.34Å; A98-K102 PolarHBondContact O-N 2.98Å |
| 99 | E | 47.8 | Very low | 47.5 | Very low | 119 Ų | 119 | 93 Ų | 93 | 56% | 0.556 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -76.4 | -35.6 | 179.1 | -75.6 | 161.8 | 146 | 0 | 0 | 111.6 | G96 L101 K102 A103 | G96-E99 PolarHBondContact O-N 3.28Å; E99-L101 VanDerWaalsContact C-N 3.34Å; E99-K102 PolarHBondContact O-N 2.86Å; E99-A103 VanDerWaalsContact O-CB 3.32Å; E99-A103 WeakPolarHBondContact O-CB 3.22Å; E99-A103 PolarHBondContact O-N 2.94Å |
| 100 | V | 50 | Low | 48.2 | Very low | 70 Ų | 70 | 92.8 Ų | 92.8 | 42% | 0.424 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62 | -44 | 170.1 | 179.4 | 0 | 0 | 0 | 0 | 110.2 | L95 G96 T104 | L95-V100 HydrophobicContact CB-CG2 4.17Å; G96-V100 PolarHBondContact O-N 3.4Å; V100-T104 VanDerWaalsContact O-CG2 3.28Å; V100-T104 WeakPolarHBondContact O-CG2 3.27Å; V100-T104 PolarHBondContact O-N 3.45Å; V100-T104 PolarHBondContact O-OG1 3.07Å |
| 101 | L | 49.4 | Very low | 49.5 | Very low | 92 Ų | 92 | 87.6 Ų | 87.6 | 48% | 0.482 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 175 | -81.9 | 166.5 | 0 | 0 | 0 | 112.4 | F97 A98 E99 T104 A105 | F97-L101 HydrophobicContact CD1-CD1 3.62Å; F97-L101 HydrophobicContact CD1-CG 4.41Å; F97-L101 HydrophobicContact CE1-CD1 3.63Å; F97-L101 HydrophobicContact CE1-CG 4.36Å; F97-L101 WeakPolarHBondContact O-CB 3.34Å; F97-L101 WeakPolarHBondContact O-CG 3.37Å; F97-L101 PolarHBondContact O-N 2.91Å; A98-L101 PolarHBondContact O-N 3.12Å; E99-L101 VanDerWaalsContact C-N 3.34Å; L101-T104 WeakPolarHBondContact CA-OG1 3.35Å; L101-T104 PolarHBondContact O-N 3.31Å; L101-T104 PolarHBondContact O-OG1 3.17Å; L101-A105 WeakPolarHBondContact O-CB 3.1Å; L101-A105 PolarHBondContact O-N 3.38Å |
| 102 | K | 43.6 | Very low | 51.1 | Low | 148 Ų | 148 | 79.9 Ų | 79.9 | 64% | 0.643 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -65.8 | -41.8 | 178.8 | -158.3 | 176 | -175.8 | -176 | 0 | 112.2 | A98 E99 T104 A105 D106 | A98-K102 WeakPolarHBondContact O-CB 3.34Å; A98-K102 PolarHBondContact O-N 2.98Å; E99-K102 PolarHBondContact O-N 2.86Å; K102-T104 VanDerWaalsContact C-N 3.32Å; K102-T104 PolarHBondContact O-N 3.15Å; K102-A105 WeakPolarHBondContact O-CB 3.21Å; K102-A105 PolarHBondContact O-N 2.81Å; K102-A105 VanDerWaalsContact O-N 3.15Å; K102-D106 PolarHBondContact O-N 2.97Å; K102-D106 VanDerWaalsContact O-N 3.13Å |
| 103 | A | 41.3 | Very low | 52.8 | Low | 56 Ų | 56 | 76.1 Ų | 76.1 | 46% | 0.463 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.4 | -35.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E99 I107 | E99-A103 VanDerWaalsContact O-CB 3.32Å; E99-A103 WeakPolarHBondContact O-CB 3.22Å; E99-A103 PolarHBondContact O-N 2.94Å; A103-I107 WeakPolarHBondContact O-CD1 3.47Å; A103-I107 WeakPolarHBondContact O-CG1 3.38Å |
| 104 | T | 46.3 | Very low | 54.4 | Low | 39 Ų | 39 | 70.3 Ų | 70.3 | 24% | 0.239 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -70.6 | -36.9 | 172 | 62.8 | 0 | 0 | 0 | 0 | 112 | V100 L101 K102 I107 Y108 | V100-T104 VanDerWaalsContact O-CG2 3.28Å; V100-T104 WeakPolarHBondContact O-CG2 3.27Å; V100-T104 PolarHBondContact O-N 3.45Å; V100-T104 PolarHBondContact O-OG1 3.07Å; L101-T104 WeakPolarHBondContact CA-OG1 3.35Å; L101-T104 PolarHBondContact O-N 3.31Å; L101-T104 PolarHBondContact O-OG1 3.17Å; K102-T104 VanDerWaalsContact C-N 3.32Å; K102-T104 PolarHBondContact O-N 3.15Å; T104-I107 PolarHBondContact O-N 2.85Å; T104-Y108 WeakPolarHBondContact O-CD2 3.06Å; T104-Y108 WeakPolarHBondContact O-CE2 2.96Å |
| 105 | A | 39.6 | Very low | 56.1 | Low | 52 Ų | 52 | 66.8 Ų | 66.8 | 43% | 0.43 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59.8 | -46.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L101 K102 I107 Y108 | L101-A105 WeakPolarHBondContact O-CB 3.1Å; L101-A105 PolarHBondContact O-N 3.38Å; K102-A105 WeakPolarHBondContact O-CB 3.21Å; K102-A105 PolarHBondContact O-N 2.81Å; K102-A105 VanDerWaalsContact O-N 3.15Å; A105-I107 PolarHBondContact O-N 2.79Å; A105-Y108 PolarHBondContact O-N 3.13Å |
| 106 | D | 40.7 | Very low | 57.9 | Low | 134 Ų | 134 | 62.2 Ų | 62.2 | 72% | 0.717 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -14.1 | 179.5 | -70 | -29.3 | 0 | 0 | 0 | 113.5 | K102 | K102-D106 PolarHBondContact O-N 2.97Å; K102-D106 VanDerWaalsContact O-N 3.13Å |
| 107 | I | 47.8 | Very low | 59.3 | Low | 61 Ų | 61 | 62 Ų | 62 | 31% | 0.313 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -6.2 | 174.6 | -55.1 | 163.4 | 0 | 0 | 0 | 111.4 | K75 W79 A103 T104 A105 A109 | K75-I107 PolarHBondContact NZ-O 3.19Å; W79-I107 HydrophobicContact CH2-CB 3.82Å; W79-I107 HydrophobicContact CH2-CD1 3.75Å; W79-I107 HydrophobicContact CH2-CG1 4.4Å; W79-I107 HydrophobicContact CH2-CG2 3.4Å; W79-I107 VanDerWaalsContact CH2-CG2 3.4Å; W79-I107 HydrophobicContact CZ2-CB 3.42Å; W79-I107 VanDerWaalsContact CZ2-CB 3.42Å; W79-I107 HydrophobicContact CZ2-CD1 4.27Å; W79-I107 HydrophobicContact CZ2-CG1 4.46Å; W79-I107 HydrophobicContact CZ2-CG2 3.04Å; A103-I107 WeakPolarHBondContact O-CD1 3.47Å; A103-I107 WeakPolarHBondContact O-CG1 3.38Å; T104-I107 PolarHBondContact O-N 2.85Å; A105-I107 PolarHBondContact O-N 2.79Å; I107-A109 PolarHBondContact O-N 3.38Å |
| 108 | Y | 45.3 | Very low | 60.8 | Low | 85 Ų | 85 | 54.7 Ų | 54.7 | 33% | 0.333 | 31% | 0.306 | S | S | . | . | trans | -89.8 | 73.1 | 168.7 | -62.7 | -79.9 | 0 | 0 | 0 | 110.1 | W79 T104 A105 F110 | W79-Y108 AromaticContact CD1-CE1 3.57Å; W79-Y108 AromaticContact NE1-CD1 3.49Å; W79-Y108 AromaticContact NE1-CE1 3.16Å; W79-Y108 AromaticContact NE1-CZ 3.71Å; T104-Y108 WeakPolarHBondContact O-CD2 3.06Å; T104-Y108 WeakPolarHBondContact O-CE2 2.96Å; A105-Y108 PolarHBondContact O-N 3.13Å; Y108-F110 WeakPolarHBondContact O-CD2 3.28Å; Y108-F110 WeakPolarHBondContact O-CE2 2.77Å; Y108-F110 PolarHBondContact O-N 3.3Å | ||
| 109 | A | 49 | Very low | 62.8 | Low | 41 Ų | 41 | 51.3 Ų | 51.3 | 34% | 0.339 | 28% | 0.278 | S | S | . | . | trans | -70.2 | 116 | 156.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | I107 I114 | I107-A109 PolarHBondContact O-N 3.38Å; A109-I114 HydrophobicContact CB-CG1 4.44Å | ||
| 110 | F | 59.1 | Low | 64.9 | Low | 59 Ų | 59 | 48.4 Ų | 48.4 | 26% | 0.259 | 27% | 0.266 | S | S | . | . | trans | -82.7 | 144.1 | 178.8 | -45 | -100.6 | 0 | 0 | 0 | 108.9 | K61 N62 Y108 D113 I114 | K61-F110 HydrophobicContact CD-CB 4.1Å; K61-F110 HydrophobicContact CD-CD1 4.05Å; K61-F110 HydrophobicContact CD-CG 4.09Å; K61-F110 VanDerWaalsContact CE-CB 3.45Å; K61-F110 VanDerWaalsContact CE-CD2 3.41Å; K61-F110 HydrophobicContact CG-CB 3.4Å; K61-F110 VanDerWaalsContact CG-CB 3.4Å; K61-F110 HydrophobicContact CG-CD1 3.86Å; K61-F110 HydrophobicContact CG-CG 3.86Å; K61-F110 CarbonylContact O-C 3.36Å; K61-F110 VanDerWaalsContact O-C 3.25Å; K61-F110 WeakPolarHBondContact O-CB 3.35Å; N62-F110 WeakPolarHBondContact OD1-CD1 3.35Å; Y108-F110 WeakPolarHBondContact O-CD2 3.28Å; Y108-F110 WeakPolarHBondContact O-CE2 2.77Å; Y108-F110 PolarHBondContact O-N 3.3Å; F110-D113 HydrophobicContact CB-CB 4.48Å; F110-D113 WeakPolarHBondContact CB-OD2 3.22Å; F110-D113 WeakPolarHBondContact CD2-OD2 3.49Å; F110-D113 CarbonylContact O-C 3.56Å; F110-D113 VanDerWaalsContact O-C 3.25Å; F110-D113 WeakPolarHBondContact O-CA 3.39Å; F110-D113 WeakPolarHBondContact O-CB 3.48Å; F110-D113 PolarHBondContact O-N 3.34Å; F110-I114 PolarHBondContact O-N 3.18Å | ||
| 111 | C | 74.3 | Confident | 66.7 | Low | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.007 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -77.9 | -33.7 | -163.3 | -60.9 | 0 | 0 | 0 | 0 | 117 | K61 N62 L73 G74 K75 D113 I114 I115 | K61-C111 WeakPolarHBondContact O-CA 3.3Å; K61-C111 PolarHBondContact O-N 3.25Å; N62-C111 PolarHBondContact O-SG 2.91Å; L73-C111 WeakPolarHBondContact O-CB 3.34Å; G74-C111 WeakPolarHBondContact CA-SG 3.44Å; K75-C111 PolarHBondContact N-SG 3.48Å; C111-D113 PolarHBondContact O-N 2.86Å; C111-I114 HydrophobicContact CB-CD1 4.34Å; C111-I114 CarbonylContact O-C 3.52Å; C111-I114 WeakPolarHBondContact O-CA 3.41Å; C111-I114 WeakPolarHBondContact O-CB 3.44Å; C111-I114 PolarHBondContact O-N 3.41Å; C111-I115 WeakPolarHBondContact O-CG1 3.25Å; C111-I115 PolarHBondContact O-N 2.93Å |
| 112 | N | 78.3 | Confident | 68.4 | Low | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.9 | -31.4 | 160.4 | -82.4 | 1.9 | 0 | 0 | 0 | 109.8 | Y60 K61 W72 I114 I115 S116 I149 Y156 | Y60-N112 PolarHBondContact O-OD1 3.44Å; K61-N112 PolarHBondContact O-N 3.04Å; W72-N112 WeakPolarHBondContact CZ2-OD1 3.06Å; W72-N112 PolarHBondContact NE1-OD1 2.97Å; N112-I114 VanDerWaalsContact C-N 3.34Å; N112-I115 PolarHBondContact O-N 3.06Å; N112-S116 VanDerWaalsContact O-CB 3.25Å; N112-S116 WeakPolarHBondContact O-CB 3.09Å; N112-S116 PolarHBondContact O-N 3.22Å; N112-I149 WeakPolarHBondContact O-CD1 3.15Å; N112-Y156 HydrophobicContact CB-CD1 3.83Å; N112-Y156 HydrophobicContact CB-CD2 3.65Å; N112-Y156 HydrophobicContact CB-CE1 3.6Å; N112-Y156 HydrophobicContact CB-CE2 3.38Å; N112-Y156 HydrophobicContact CB-CG 3.86Å; N112-Y156 VanDerWaalsContact ND2-CD2 3.33Å; N112-Y156 WeakPolarHBondContact ND2-CD2 3.27Å |
| 113 | D | 80.7 | Confident | 70.5 | Confident | 39 Ų | 39 | 49.3 Ų | 49.3 | 21% | 0.209 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -67.1 | -33.7 | 168.4 | -44.1 | -27.7 | 0 | 0 | 0 | 111.6 | F110 C111 S116 E117 Y156 | F110-D113 HydrophobicContact CB-CB 4.48Å; F110-D113 WeakPolarHBondContact CB-OD2 3.22Å; F110-D113 WeakPolarHBondContact CD2-OD2 3.49Å; F110-D113 CarbonylContact O-C 3.56Å; F110-D113 VanDerWaalsContact O-C 3.25Å; F110-D113 WeakPolarHBondContact O-CA 3.39Å; F110-D113 WeakPolarHBondContact O-CB 3.48Å; F110-D113 PolarHBondContact O-N 3.34Å; C111-D113 PolarHBondContact O-N 2.86Å; D113-S116 PolarHBondContact O-N 3.08Å; D113-E117 WeakPolarHBondContact O-CB 3.49Å; D113-E117 PolarHBondContact O-N 3.21Å; D113-Y156 WeakPolarHBondContact OD1-CE1 3.39Å; D113-Y156 PolarHBondContact OD1-OH 3.18Å |
| 114 | I | 82.4 | Confident | 72.8 | Confident | 16 Ų | 16 | 51 Ų | 51 | 8% | 0.082 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.1 | -47.9 | 173.8 | -66.3 | 174.4 | 0 | 0 | 0 | 110.3 | L73 A109 F110 C111 N112 S116 E117 L118 | L73-I114 HydrophobicContact CD2-CB 4.47Å; L73-I114 HydrophobicContact CD2-CG2 3.87Å; A109-I114 HydrophobicContact CB-CG1 4.44Å; F110-I114 PolarHBondContact O-N 3.18Å; C111-I114 HydrophobicContact CB-CD1 4.34Å; C111-I114 CarbonylContact O-C 3.52Å; C111-I114 WeakPolarHBondContact O-CA 3.41Å; C111-I114 WeakPolarHBondContact O-CB 3.44Å; C111-I114 PolarHBondContact O-N 3.41Å; N112-I114 VanDerWaalsContact C-N 3.34Å; I114-S116 VanDerWaalsContact C-N 3.32Å; I114-E117 PolarHBondContact O-N 3.01Å; I114-L118 HydrophobicContact CG2-CD1 3.74Å; I114-L118 HydrophobicContact CG2-CG 4.23Å; I114-L118 VanDerWaalsContact O-CB 3.28Å; I114-L118 WeakPolarHBondContact O-CB 3.24Å; I114-L118 WeakPolarHBondContact O-CG 3.06Å; I114-L118 PolarHBondContact O-N 2.84Å |
| 115 | I | 87.2 | Confident | 75.1 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.8 | -44.8 | 178 | -58 | 167.1 | 0 | 0 | 0 | 109.1 | I43 W72 L73 C111 N112 T119 F147 I149 | I43-I115 HydrophobicContact CB-CD1 4.14Å; I43-I115 HydrophobicContact CB-CG1 4.41Å; I43-I115 HydrophobicContact CD1-CD1 4.26Å; I43-I115 HydrophobicContact CD1-CG2 4.5Å; I43-I115 HydrophobicContact CG2-CD1 4.5Å; I43-I115 HydrophobicContact CG2-CG1 4.23Å; W72-I115 HydrophobicContact CZ2-CD1 4.1Å; L73-I115 HydrophobicContact CB-CD1 4.41Å; L73-I115 HydrophobicContact CD2-CG1 3.85Å; C111-I115 WeakPolarHBondContact O-CG1 3.25Å; C111-I115 PolarHBondContact O-N 2.93Å; N112-I115 PolarHBondContact O-N 3.06Å; I115-T119 HydrophobicContact CG2-CG2 4.34Å; I115-T119 WeakPolarHBondContact O-CB 2.9Å; I115-T119 VanDerWaalsContact O-CG2 3.28Å; I115-T119 WeakPolarHBondContact O-CG2 3.33Å; I115-T119 PolarHBondContact O-N 2.98Å; I115-T119 PolarHBondContact O-OG1 3.14Å; I115-F147 HydrophobicContact CG2-CE1 3.83Å; I115-F147 HydrophobicContact CG2-CZ 4.24Å; I115-I149 HydrophobicContact CB-CD1 3.6Å; I115-I149 HydrophobicContact CB-CG1 4.3Å; I115-I149 HydrophobicContact CG2-CD1 3.56Å; I115-I149 HydrophobicContact CG2-CG1 3.95Å |
| 116 | S | 89.5 | Confident | 77.9 | Confident | 8 Ų | 8 | 50.7 Ų | 50.7 | 6% | 0.056 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.8 | -51.5 | 176.7 | -171.8 | 0 | 0 | 0 | 0 | 111.8 | N112 D113 I114 L118 T119 N120 I149 D150 P151 | N112-S116 VanDerWaalsContact O-CB 3.25Å; N112-S116 WeakPolarHBondContact O-CB 3.09Å; N112-S116 PolarHBondContact O-N 3.22Å; D113-S116 PolarHBondContact O-N 3.08Å; I114-S116 VanDerWaalsContact C-N 3.32Å; S116-L118 PolarHBondContact O-N 3.05Å; S116-T119 PolarHBondContact O-N 3.22Å; S116-T119 PolarHBondContact O-OG1 3.27Å; S116-N120 WeakPolarHBondContact O-CB 3.22Å; S116-N120 PolarHBondContact O-N 2.56Å; S116-N120 PolarHBondContact O-ND2 3.1Å; S116-N120 PolarHBondContact OG-ND2 3.2Å; S116-I149 PolarHBondContact OG-O 2.75Å; S116-I149 VanDerWaalsContact OG-O 3.05Å; S116-D150 VanDerWaalsContact OG-C 3.26Å; S116-D150 PolarHBondContact OG-O 2.68Å; S116-P151 WeakPolarHBondContact OG-CA 3.47Å |
| 117 | E | 87.6 | Confident | 80.6 | Confident | 38 Ų | 38 | 44.9 Ų | 44.9 | 18% | 0.178 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61 | -46 | 179.8 | 179 | -148.6 | 130.8 | 0 | 0 | 112.2 | R17 R27 D113 I114 S121 | R17-E117 WeakPolarHBondContact CG-OE1 3.13Å; R17-E117 IonicContact CZ-OE1 3.14Å; R17-E117 IonicContact CZ-OE2 3.79Å; R17-E117 IonicContact NE-OE1 3.28Å; R17-E117 PolarHBondContact NE-OE1 2.89Å; R17-E117 IonicContact NE-OE2 2.91Å; R17-E117 PolarHBondContact NE-OE2 2.83Å; R17-E117 VanDerWaalsContact NH2-CD 3.29Å; R17-E117 IonicContact NH2-OE1 3.31Å; R17-E117 IonicContact NH2-OE2 3.86Å; R17-E117 PolarHBondContact NH2-OE2 3.11Å; R27-E117 IonicContact CZ-OE1 2.76Å; R27-E117 IonicContact NH1-OE1 3.3Å; R27-E117 PolarHBondContact NH1-OE1 3.12Å; R27-E117 IonicContact NH1-OE2 3.39Å; R27-E117 PolarHBondContact NH1-OE2 2.71Å; R27-E117 IonicContact NH2-OE1 2.8Å; R27-E117 PolarHBondContact NH2-OE1 3.37Å; D113-E117 WeakPolarHBondContact O-CB 3.49Å; D113-E117 PolarHBondContact O-N 3.21Å; I114-E117 PolarHBondContact O-N 3.01Å; E117-S121 PolarHBondContact O-N 3.26Å; E117-S121 PolarHBondContact O-OG 2.89Å |
| 118 | L | 87.3 | Confident | 83 | Confident | 13 Ų | 13 | 42 Ų | 42 | 7% | 0.068 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.2 | -50.9 | 177 | -76.3 | 173 | 0 | 0 | 0 | 110 | R27 I114 S116 N120 S121 Y126 | R27-L118 VanDerWaalsContact NH2-CD2 3.26Å; I114-L118 HydrophobicContact CG2-CD1 3.74Å; I114-L118 HydrophobicContact CG2-CG 4.23Å; I114-L118 VanDerWaalsContact O-CB 3.28Å; I114-L118 WeakPolarHBondContact O-CB 3.24Å; I114-L118 WeakPolarHBondContact O-CG 3.06Å; I114-L118 PolarHBondContact O-N 2.84Å; S116-L118 PolarHBondContact O-N 3.05Å; L118-N120 VanDerWaalsContact C-N 3.35Å; L118-N120 PolarHBondContact O-N 2.96Å; L118-S121 WeakPolarHBondContact O-CB 3.28Å; L118-S121 PolarHBondContact O-N 2.76Å; L118-S121 PolarHBondContact O-OG 3.34Å; L118-Y126 WeakPolarHBondContact O-CE2 3.32Å |
| 119 | T | 92.1 | Very high | 85.5 | Confident | 5 Ų | 5 | 38 Ų | 38 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -79.6 | -13.1 | -172.3 | 61 | 0 | 0 | 0 | 0 | 114.7 | I115 S116 Y126 F147 R148 I149 I251 | I115-T119 HydrophobicContact CG2-CG2 4.34Å; I115-T119 WeakPolarHBondContact O-CB 2.9Å; I115-T119 VanDerWaalsContact O-CG2 3.28Å; I115-T119 WeakPolarHBondContact O-CG2 3.33Å; I115-T119 PolarHBondContact O-N 2.98Å; I115-T119 PolarHBondContact O-OG1 3.14Å; S116-T119 PolarHBondContact O-N 3.22Å; S116-T119 PolarHBondContact O-OG1 3.27Å; T119-Y126 HydrophobicContact CG2-CD2 4.35Å; T119-Y126 HydrophobicContact CG2-CG 4.17Å; T119-F147 HydrophobicContact CG2-CD1 3.88Å; T119-F147 HydrophobicContact CG2-CE1 4.03Å; T119-R148 VanDerWaalsContact CB-CB 3.49Å; T119-R148 WeakPolarHBondContact O-CB 2.84Å; T119-R148 WeakPolarHBondContact OG1-CA 3.4Å; T119-R148 WeakPolarHBondContact OG1-CB 3.46Å; T119-I149 PolarHBondContact OG1-N 3.41Å; T119-I251 HydrophobicContact CG2-CD1 3.87Å |
| 120 | N | 91.5 | Very high | 87.7 | Confident | 59 Ų | 59 | 36 Ų | 36 | 32% | 0.316 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 12.3 | 171.5 | -65.9 | -77 | 0 | 0 | 0 | 113.1 | S116 L118 L122 R148 I149 | S116-N120 WeakPolarHBondContact O-CB 3.22Å; S116-N120 PolarHBondContact O-N 2.56Å; S116-N120 PolarHBondContact O-ND2 3.1Å; S116-N120 PolarHBondContact OG-ND2 3.2Å; L118-N120 VanDerWaalsContact C-N 3.35Å; L118-N120 PolarHBondContact O-N 2.96Å; N120-L122 PolarHBondContact O-N 2.87Å; N120-R148 WeakPolarHBondContact OD1-CD 3.4Å; N120-R148 PolarHBondContact OD1-NH1 3.41Å; N120-I149 PolarHBondContact ND2-O 2.83Å |
| 121 | S | 87.9 | Confident | 89.4 | Confident | 20 Ų | 20 | 35.4 Ų | 35.4 | 14% | 0.14 | 18% | 0.182 | C | C | . | . | trans | -59.8 | 133 | 175.2 | -72.5 | 0 | 0 | 0 | 0 | 111.1 | E117 L118 N123 R124 | E117-S121 PolarHBondContact O-N 3.26Å; E117-S121 PolarHBondContact O-OG 2.89Å; L118-S121 WeakPolarHBondContact O-CB 3.28Å; L118-S121 PolarHBondContact O-N 2.76Å; L118-S121 PolarHBondContact O-OG 3.34Å; S121-N123 PolarHBondContact O-N 3.37Å; S121-R124 WeakPolarHBondContact O-CB 3.35Å; S121-R124 PolarHBondContact O-N 2.96Å; S121-R124 VanDerWaalsContact O-N 3.07Å | ||
| 122 | L | 86 | Confident | 90.2 | Very high | 152 Ų | 152 | 35.5 Ų | 35.5 | 80% | 0.796 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 134.1 | -176.6 | -165.4 | 75 | 0 | 0 | 0 | 111.5 | N120 R124 | N120-L122 PolarHBondContact O-N 2.87Å; L122-R124 PolarHBondContact O-N 3.48Å |
| 123 | N | 86.6 | Confident | 90.6 | Very high | 157 Ų | 157 | 36.9 Ų | 36.9 | 84% | 0.84 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 24.6 | -179.1 | -58.3 | -23.4 | 0 | 0 | 0 | 114.6 | S121 | S121-N123 PolarHBondContact O-N 3.37Š|
| 124 | R | 90 | Very high | 90.7 | Very high | 92 Ų | 92 | 35.3 Ų | 35.3 | 35% | 0.347 | 18% | 0.184 | S | C | . | . | trans | -117.8 | 136.2 | 172.8 | -58.1 | -168.8 | -177.4 | -145.8 | 6.2 | 110.1 | S121 L122 Y126 Q253 | S121-R124 WeakPolarHBondContact O-CB 3.35Å; S121-R124 PolarHBondContact O-N 2.96Å; S121-R124 VanDerWaalsContact O-N 3.07Å; L122-R124 PolarHBondContact O-N 3.48Å; R124-Y126 HydrophobicContact CB-CD2 4.48Å; R124-Y126 HydrophobicContact CB-CE2 3.93Å; R124-Q253 HydrophobicContact CB-CG 4.4Å | ||
| 125 | T | 94.7 | Very high | 90.5 | Very high | 66 Ų | 66 | 39.4 Ų | 39.4 | 41% | 0.405 | 21% | 0.206 | S | C | . | . | trans | -112.7 | 144.7 | 166.9 | -58.2 | 0 | 0 | 0 | 0 | 107.8 | R146 Q253 V254 | T125-R146 HydrophobicContact CG2-CB 4.49Å; T125-R146 HydrophobicContact CG2-CG 4.13Å; T125-Q253 WeakPolarHBondContact O-CA 3.33Å; T125-V254 HydrophobicContact CG2-CG2 4.05Å; T125-V254 PolarHBondContact O-N 3.16Å | ||
| 126 | Y | 97.2 | Very high | 90.1 | Very high | 17 Ų | 17 | 42.3 Ų | 42.3 | 7% | 0.067 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 136.3 | 174.7 | -75.7 | -104.4 | 0 | 0 | 0 | 109.8 | L118 T119 R124 R146 F147 I251 R252 Q253 | L118-Y126 WeakPolarHBondContact O-CE2 3.32Å; T119-Y126 HydrophobicContact CG2-CD2 4.35Å; T119-Y126 HydrophobicContact CG2-CG 4.17Å; R124-Y126 HydrophobicContact CB-CD2 4.48Å; R124-Y126 HydrophobicContact CB-CE2 3.93Å; Y126-R146 CarbonylContact O-C 3.34Å; Y126-R146 VanDerWaalsContact O-CA 3.23Å; Y126-R146 WeakPolarHBondContact O-CA 3.48Å; Y126-F147 PolarHBondContact O-N 2.7Å; Y126-I251 HydrophobicContact CD1-CB 4.12Å; Y126-I251 HydrophobicContact CD1-CD1 4.05Å; Y126-I251 HydrophobicContact CD1-CG1 4.12Å; Y126-I251 HydrophobicContact CE1-CD1 4.34Å; Y126-R252 CarbonylContact C-O 3.55Å; Y126-R252 WeakPolarHBondContact CA-O 3.48Å; Y126-Q253 HydrophobicContact CD1-CB 4.36Å; Y126-Q253 HydrophobicContact CE1-CB 4.03Å |
| 127 | E | 98 | Very high | 89.8 | Confident | 12 Ų | 12 | 44.3 Ų | 44.3 | 6% | 0.056 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 156.5 | 165.9 | 55.6 | 178.2 | -166 | 0 | 0 | 110.1 | W40 K143 Y144 I251 R252 V254 | W40-E127 HydrophobicContact CH2-CG 3.87Å; W40-E127 WeakPolarHBondContact CH2-OE1 3.31Å; W40-E127 HydrophobicContact CZ3-CG 3.99Å; E127-K143 IonicContact OE1-NZ 2.86Å; E127-K143 PolarHBondContact OE1-NZ 3.41Å; E127-K143 WeakPolarHBondContact OE2-CE 3.29Å; E127-K143 IonicContact OE2-NZ 2.72Å; E127-K143 PolarHBondContact OE2-NZ 2.88Å; E127-Y144 WeakPolarHBondContact CA-O 3.35Å; E127-Y144 WeakPolarHBondContact CB-O 3.44Å; E127-I251 VanDerWaalsContact O-CA 3.27Å; E127-I251 WeakPolarHBondContact O-CA 2.92Å; E127-R252 HydrophobicContact CG-CB 4.13Å; E127-R252 WeakPolarHBondContact CG-O 3.28Å; E127-R252 PolarHBondContact N-O 3.14Å; E127-R252 PolarHBondContact O-N 2.01Å; E127-R252 VanDerWaalsContact O-N 3.12Å; E127-R252 IonicContact OE1-CZ 2.8Å; E127-R252 IonicContact OE1-NE 3.21Å; E127-R252 PolarHBondContact OE1-NE 3.5Å; E127-R252 IonicContact OE1-NH2 2.71Å; E127-R252 PolarHBondContact OE1-NH2 2.99Å; E127-V254 HydrophobicContact CB-CG2 4.08Å; E127-V254 HydrophobicContact CG-CG1 4.33Å; E127-V254 HydrophobicContact CG-CG2 4.17Å |
| 128 | L | 98.2 | Very high | 89.6 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 133.3 | 177.9 | -176.9 | 75.1 | 0 | 0 | 0 | 109.5 | I130 K143 Y144 F147 L160 L171 I249 M250 I251 | L128-I130 HydrophobicContact CD2-CD1 3.99Å; L128-I130 HydrophobicContact CD2-CG1 4.16Å; L128-I130 HydrophobicContact CG-CG1 4.19Å; L128-K143 CarbonylContact O-C 3.57Å; L128-K143 VanDerWaalsContact O-CA 3.28Å; L128-K143 WeakPolarHBondContact O-CA 3.38Å; L128-K143 WeakPolarHBondContact O-CG 3.04Å; L128-Y144 HydrophobicContact CB-CD2 4.41Å; L128-Y144 HydrophobicContact CD2-CD2 3.86Å; L128-Y144 HydrophobicContact CD2-CE2 4.41Å; L128-Y144 HydrophobicContact CG-CD2 4.49Å; L128-Y144 PolarHBondContact N-O 3.47Å; L128-Y144 PolarHBondContact O-N 3.35Å; L128-F147 HydrophobicContact CB-CB 3.67Å; L128-F147 HydrophobicContact CB-CD2 4.26Å; L128-F147 HydrophobicContact CB-CG 4.04Å; L128-F147 HydrophobicContact CD1-CB 4.5Å; L128-F147 HydrophobicContact CD1-CD1 4.25Å; L128-F147 HydrophobicContact CD1-CD2 3.86Å; L128-F147 HydrophobicContact CD1-CE1 4.44Å; L128-F147 HydrophobicContact CD1-CE2 4.05Å; L128-F147 HydrophobicContact CD1-CG 3.95Å; L128-F147 HydrophobicContact CD1-CZ 4.34Å; L128-F147 HydrophobicContact CD2-CD2 3.77Å; L128-F147 HydrophobicContact CD2-CE2 4.25Å; L128-F147 HydrophobicContact CD2-CG 4.39Å; L128-F147 HydrophobicContact CG-CB 4.5Å; L128-F147 HydrophobicContact CG-CD2 4.2Å; L128-F147 HydrophobicContact CG-CG 4.37Å; L128-L160 HydrophobicContact CD2-CD1 4.05Å; L128-L171 HydrophobicContact CD2-CD2 3.68Å; L128-I249 HydrophobicContact CD1-CG2 3.52Å; L128-I249 HydrophobicContact CG-CG2 4.46Å; L128-M250 WeakPolarHBondContact CA-O 3.24Å; L128-I251 HydrophobicContact CD1-CG2 3.83Å |
| 129 | L | 97.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 128.6 | 170.3 | -165 | 70.2 | 0 | 0 | 0 | 109.4 | T35 W40 T141 K143 M250 | T35-L129 HydrophobicContact CG2-CD2 3.55Å; W40-L129 HydrophobicContact CD2-CD2 4.45Å; W40-L129 HydrophobicContact CE3-CB 4Å; W40-L129 HydrophobicContact CH2-CB 3.66Å; W40-L129 HydrophobicContact CH2-CD2 4.15Å; W40-L129 HydrophobicContact CH2-CG 4.38Å; W40-L129 HydrophobicContact CZ2-CB 4.2Å; W40-L129 HydrophobicContact CZ2-CD2 3.82Å; W40-L129 HydrophobicContact CZ3-CB 3.54Å; L129-T141 HydrophobicContact CD1-CG2 3.38Å; L129-T141 HydrophobicContact CD2-CG2 4.43Å; L129-T141 HydrophobicContact CG-CG2 3.93Å; L129-K143 HydrophobicContact CD1-CB 3.67Å; L129-K143 HydrophobicContact CD1-CD 4.05Å; L129-K143 HydrophobicContact CD1-CG 3.79Å; L129-M250 HydrophobicContact CB-CE 4.47Å; L129-M250 HydrophobicContact CD2-CE 3.92Å; L129-M250 HydrophobicContact CG-CE 4.4Å; L129-M250 PolarHBondContact N-O 2.96Å; L129-M250 PolarHBondContact O-N 3.21Å |
| 130 | I | 95.6 | Very high | 89.5 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 113.8 | 176 | -59 | 176.8 | 0 | 0 | 0 | 107.3 | L128 M132 T141 V142 Y144 L171 L214 W232 K248 I249 | L128-I130 HydrophobicContact CD2-CD1 3.99Å; L128-I130 HydrophobicContact CD2-CG1 4.16Å; L128-I130 HydrophobicContact CG-CG1 4.19Å; I130-M132 HydrophobicContact CG2-CE 4.18Å; I130-M132 HydrophobicContact CG2-CG 3.91Å; I130-M132 HydrophobicContact CG2-SD 4.09Å; I130-T141 CarbonylContact O-C 3.59Å; I130-T141 VanDerWaalsContact O-CA 3.32Å; I130-T141 WeakPolarHBondContact O-CA 3.28Å; I130-V142 PolarHBondContact N-O 3.44Å; I130-V142 PolarHBondContact O-N 2.95Å; I130-Y144 HydrophobicContact CD1-CE2 4.36Å; I130-L171 HydrophobicContact CD1-CD2 4.08Å; I130-L214 HydrophobicContact CG2-CD1 3.54Å; I130-W232 HydrophobicContact CD1-CH2 3.65Å; I130-W232 HydrophobicContact CD1-CZ3 3.79Å; I130-K248 WeakPolarHBondContact CA-O 3.48Å; I130-I249 HydrophobicContact CG1-CG2 4.3Å |
| 131 | Q | 94.5 | Very high | 89.5 | Confident | 46 Ų | 46 | 52 Ų | 52 | 22% | 0.215 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 135.9 | 170 | -69.3 | -176.9 | -41.5 | 0 | 0 | 109.3 | T141 T247 K248 M250 | Q131-T141 HydrophobicContact CG-CG2 4.32Å; Q131-T247 CarbonylContact O-C 3.25Å; Q131-T247 VanDerWaalsContact O-CA 3.22Å; Q131-T247 WeakPolarHBondContact O-CA 3.48Å; Q131-K248 HydrophobicContact CB-CB 4.48Å; Q131-K248 PolarHBondContact N-O 3.1Å; Q131-K248 PolarHBondContact O-N 3.11Å; Q131-K248 VanDerWaalsContact OE1-CE 3.27Å; Q131-M250 HydrophobicContact CG-CE 4.05Å |
| 132 | M | 91.2 | Very high | 89.8 | Confident | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 144.2 | -178.6 | -63.7 | 170 | -74.2 | 0 | 0 | 109.4 | I130 S139 T140 V142 L214 W232 I234 V244 Q246 T247 | I130-M132 HydrophobicContact CG2-CE 4.18Å; I130-M132 HydrophobicContact CG2-CG 3.91Å; I130-M132 HydrophobicContact CG2-SD 4.09Å; M132-S139 CarbonylContact O-C 3.42Å; M132-S139 VanDerWaalsContact O-CA 3.26Å; M132-S139 WeakPolarHBondContact O-CA 3.05Å; M132-T140 HydrophobicContact CE-CG2 4.25Å; M132-T140 PolarHBondContact N-O 3.3Å; M132-T140 PolarHBondContact O-N 2.86Å; M132-V142 HydrophobicContact CE-CG2 3.92Å; M132-L214 HydrophobicContact SD-CD2 4.24Å; M132-W232 HydrophobicContact CE-CD2 3.77Å; M132-W232 HydrophobicContact CE-CE3 4.47Å; M132-W232 HydrophobicContact CE-CG 3.81Å; M132-W232 HydrophobicContact CE-CZ2 4.38Å; M132-W232 HydrophobicContact SD-CB 3.55Å; M132-W232 VanDerWaalsContact SD-CB 3.55Å; M132-W232 HydrophobicContact SD-CD2 3.5Å; M132-W232 HydrophobicContact SD-CE3 3.88Å; M132-W232 HydrophobicContact SD-CG 3.4Å; M132-I234 HydrophobicContact SD-CD1 4.29Å; M132-V244 HydrophobicContact CB-CG1 4.02Å; M132-V244 HydrophobicContact CG-CG1 4.23Å; M132-Q246 CarbonylContact C-O 3.5Å; M132-Q246 WeakPolarHBondContact CA-O 3.18Å; M132-T247 HydrophobicContact CG-CG2 4.09Å |
| 133 | V | 87.6 | Confident | 90.4 | Very high | 29 Ų | 29 | 45 Ų | 45 | 18% | 0.176 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 126.8 | 170.1 | -172.7 | 0 | 0 | 0 | 0 | 108.1 | Q138 V245 Q246 | V133-Q138 CarbonylContact C-O 3.58Å; V133-Q138 WeakPolarHBondContact CA-O 3.11Å; V133-V245 WeakPolarHBondContact O-CG2 3.39Å; V133-V245 PolarHBondContact O-N 2.74Å; V133-Q246 HydrophobicContact CB-CB 3.99Å; V133-Q246 HydrophobicContact CB-CG 4.29Å; V133-Q246 HydrophobicContact CG2-CB 4.14Å; V133-Q246 PolarHBondContact N-O 2.89Å; V133-Q246 PolarHBondContact O-N 2.89Å |
| 134 | G | 81.7 | Confident | 90.9 | Very high | 7 Ų | 7 | 37.6 Ų | 37.6 | 7% | 0.072 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 164.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D136 G137 Q138 V245 | G134-D136 WeakPolarHBondContact CA-OD1 3.06Å; G134-D136 PolarHBondContact O-N 3.13Å; G134-D136 VanDerWaalsContact O-N 3.17Å; G134-G137 PolarHBondContact O-N 3.15Å; G134-Q138 PolarHBondContact N-O 3.23Å; G134-V245 WeakPolarHBondContact O-CG2 3.11Å |
| 135 | N | 78.6 | Confident | 91.3 | Very high | 102 Ų | 102 | 36.7 Ų | 36.7 | 55% | 0.545 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -13.8 | 175.1 | 62.1 | -35.1 | 0 | 0 | 0 | 114.3 | T243 V245 | N135-T243 PolarHBondContact N-O 2.87Å; N135-V245 HydrophobicContact CB-CG1 3.84Å |
| 136 | D | 78.5 | Confident | 91.4 | Very high | 61 Ų | 61 | 38.7 Ų | 38.7 | 33% | 0.326 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -1.9 | 170.9 | 64.5 | -24.5 | 0 | 0 | 0 | 114 | G134 Q138 R236 | G134-D136 WeakPolarHBondContact CA-OD1 3.06Å; G134-D136 PolarHBondContact O-N 3.13Å; G134-D136 VanDerWaalsContact O-N 3.17Å; D136-Q138 VanDerWaalsContact C-N 3.3Å; D136-Q138 PolarHBondContact O-N 3.22Å; D136-Q138 PolarHBondContact OD1-N 3.02Å; D136-Q138 VanDerWaalsContact OD1-N 3.08Å; D136-Q138 WeakPolarHBondContact OD2-CB 2.99Å; D136-Q138 VanDerWaalsContact OD2-CG 3.28Å; D136-Q138 WeakPolarHBondContact OD2-CG 3.28Å; D136-R236 VanDerWaalsContact CB-NH2 3.26Å; D136-R236 IonicContact OD1-NH1 2.65Å; D136-R236 PolarHBondContact OD1-NH1 3.36Å; D136-R236 IonicContact OD2-CZ 2.81Å; D136-R236 IonicContact OD2-NH1 3.08Å; D136-R236 PolarHBondContact OD2-NH1 3.06Å; D136-R236 IonicContact OD2-NH2 3.41Å; D136-R236 PolarHBondContact OD2-NH2 2.82Å |
| 137 | G | 83.1 | Confident | 91.5 | Very high | 51 Ų | 51 | 38 Ų | 38 | 53% | 0.526 | 21% | 0.213 | S | C | . | . | S | Bend | trans | 82.5 | -3.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | G134 S139 | G134-G137 PolarHBondContact O-N 3.15Å; G137-S139 PolarHBondContact O-N 3.35Å |
| 138 | Q | 83.5 | Confident | 91.4 | Very high | 114 Ų | 114 | 40.2 Ų | 40.2 | 53% | 0.533 | 22% | 0.221 | S | C | . | . | trans | -69 | 135.7 | 175.6 | -74.3 | -167.6 | 13.3 | 0 | 0 | 110.6 | V133 G134 D136 | V133-Q138 CarbonylContact C-O 3.58Å; V133-Q138 WeakPolarHBondContact CA-O 3.11Å; G134-Q138 PolarHBondContact N-O 3.23Å; D136-Q138 VanDerWaalsContact C-N 3.3Å; D136-Q138 PolarHBondContact O-N 3.22Å; D136-Q138 PolarHBondContact OD1-N 3.02Å; D136-Q138 VanDerWaalsContact OD1-N 3.08Å; D136-Q138 WeakPolarHBondContact OD2-CB 2.99Å; D136-Q138 VanDerWaalsContact OD2-CG 3.28Å; D136-Q138 WeakPolarHBondContact OD2-CG 3.28Å | ||
| 139 | S | 87.8 | Confident | 91.3 | Very high | 94 Ų | 94 | 40.2 Ų | 40.2 | 66% | 0.657 | 22% | 0.22 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 133.2 | 177.9 | -63.7 | 0 | 0 | 0 | 0 | 110.9 | M132 G137 | M132-S139 CarbonylContact O-C 3.42Å; M132-S139 VanDerWaalsContact O-CA 3.26Å; M132-S139 WeakPolarHBondContact O-CA 3.05Å; G137-S139 PolarHBondContact O-N 3.35Å |
| 140 | T | 88.9 | Confident | 91.1 | Very high | 30 Ų | 30 | 40.4 Ų | 40.4 | 18% | 0.184 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 141 | 175.1 | -52.6 | 0 | 0 | 0 | 0 | 109.4 | M132 | M132-T140 HydrophobicContact CE-CG2 4.25Å; M132-T140 PolarHBondContact N-O 3.3Å; M132-T140 PolarHBondContact O-N 2.86Å |
| 141 | T | 92.8 | Very high | 90.9 | Very high | 37 Ų | 37 | 43.1 Ų | 43.1 | 23% | 0.227 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 139.2 | 176.7 | -60.1 | 0 | 0 | 0 | 0 | 109.9 | L129 I130 Q131 G166 | L129-T141 HydrophobicContact CD1-CG2 3.38Å; L129-T141 HydrophobicContact CD2-CG2 4.43Å; L129-T141 HydrophobicContact CG-CG2 3.93Å; I130-T141 CarbonylContact O-C 3.59Å; I130-T141 VanDerWaalsContact O-CA 3.32Å; I130-T141 WeakPolarHBondContact O-CA 3.28Å; Q131-T141 HydrophobicContact CG-CG2 4.32Å; T141-G166 WeakPolarHBondContact O-CA 3Å |
| 142 | V | 94.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 134 | 172.6 | -176.8 | 0 | 0 | 0 | 0 | 109 | I130 M132 Y144 M163 E165 W232 | I130-V142 PolarHBondContact N-O 3.44Å; I130-V142 PolarHBondContact O-N 2.95Å; M132-V142 HydrophobicContact CE-CG2 3.92Å; V142-Y144 HydrophobicContact CG1-CD2 4.36Å; V142-Y144 HydrophobicContact CG1-CE2 3.58Å; V142-M163 HydrophobicContact CG1-CG 3.77Å; V142-M163 HydrophobicContact CG1-SD 3.59Å; V142-M163 VanDerWaalsContact CG1-SD 3.59Å; V142-E165 CarbonylContact C-O 3.37Å; V142-E165 WeakPolarHBondContact CA-O 3.35Å; V142-W232 HydrophobicContact CB-CZ2 4.05Å; V142-W232 HydrophobicContact CG1-CZ2 4.06Å; V142-W232 HydrophobicContact CG2-CZ2 3.76Å |
| 143 | K | 97.5 | Very high | 90.5 | Very high | 27 Ų | 27 | 48.7 Ų | 48.7 | 12% | 0.117 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 137.5 | -177.8 | -166.5 | 176.9 | 176.3 | 174.3 | 0 | 111.4 | E127 L128 L129 M163 V164 E165 | E127-K143 IonicContact OE1-NZ 2.86Å; E127-K143 PolarHBondContact OE1-NZ 3.41Å; E127-K143 WeakPolarHBondContact OE2-CE 3.29Å; E127-K143 IonicContact OE2-NZ 2.72Å; E127-K143 PolarHBondContact OE2-NZ 2.88Å; L128-K143 CarbonylContact O-C 3.57Å; L128-K143 VanDerWaalsContact O-CA 3.28Å; L128-K143 WeakPolarHBondContact O-CA 3.38Å; L128-K143 WeakPolarHBondContact O-CG 3.04Å; L129-K143 HydrophobicContact CD1-CB 3.67Å; L129-K143 HydrophobicContact CD1-CD 4.05Å; L129-K143 HydrophobicContact CD1-CG 3.79Å; K143-M163 CarbonylContact O-C 3.57Å; K143-M163 WeakPolarHBondContact O-CA 3.49Å; K143-V164 HydrophobicContact CB-CG2 4.08Å; K143-V164 HydrophobicContact CD-CG2 4.12Å; K143-V164 HydrophobicContact CG-CG2 3.94Å; K143-V164 PolarHBondContact O-N 2.77Å; K143-E165 HydrophobicContact CB-CB 3.45Å; K143-E165 VanDerWaalsContact CB-CB 3.45Å; K143-E165 PolarHBondContact N-O 2.93Å; K143-E165 PolarHBondContact O-N 2.96Å |
| 144 | Y | 98 | Very high | 90.7 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 137.5 | 172.1 | -59 | -96.8 | 0 | 0 | 0 | 110.1 | E127 L128 I130 V142 R146 L160 E162 M163 D169 L171 | E127-Y144 WeakPolarHBondContact CA-O 3.35Å; E127-Y144 WeakPolarHBondContact CB-O 3.44Å; L128-Y144 HydrophobicContact CB-CD2 4.41Å; L128-Y144 HydrophobicContact CD2-CD2 3.86Å; L128-Y144 HydrophobicContact CD2-CE2 4.41Å; L128-Y144 HydrophobicContact CG-CD2 4.49Å; L128-Y144 PolarHBondContact N-O 3.47Å; L128-Y144 PolarHBondContact O-N 3.35Å; I130-Y144 HydrophobicContact CD1-CE2 4.36Å; V142-Y144 HydrophobicContact CG1-CD2 4.36Å; V142-Y144 HydrophobicContact CG1-CE2 3.58Å; Y144-R146 PolarHBondContact O-N 2.72Å; Y144-L160 HydrophobicContact CD1-CD1 3.86Å; Y144-L160 HydrophobicContact CD1-CD2 3.75Å; Y144-L160 HydrophobicContact CD1-CG 3.71Å; Y144-L160 HydrophobicContact CD2-CD1 4.13Å; Y144-L160 HydrophobicContact CE1-CD1 4.42Å; Y144-L160 HydrophobicContact CE1-CD2 3.59Å; Y144-L160 HydrophobicContact CE1-CG 4.11Å; Y144-L160 HydrophobicContact CG-CD1 3.71Å; Y144-L160 HydrophobicContact CG-CD2 4.39Å; Y144-L160 HydrophobicContact CG-CG 4.11Å; Y144-E162 VanDerWaalsContact CA-O 3.29Å; Y144-E162 WeakPolarHBondContact CA-O 3.49Å; Y144-M163 HydrophobicContact CD1-CB 4.05Å; Y144-M163 HydrophobicContact CE1-CB 3.76Å; Y144-M163 HydrophobicContact CE1-CG 4.3Å; Y144-D169 VanDerWaalsContact CE1-OD1 3.32Å; Y144-D169 WeakPolarHBondContact CE1-OD1 3.4Å; Y144-D169 PolarHBondContact OH-OD1 2.65Å; Y144-L171 HydrophobicContact CE2-CB 4.2Å; Y144-L171 HydrophobicContact CE2-CD2 4.09Å; Y144-L171 VanDerWaalsContact OH-CB 3.3Å; Y144-L171 WeakPolarHBondContact OH-CB 3.47Å |
| 145 | N | 97.5 | Very high | 91 | Very high | 73 Ų | 73 | 52.2 Ų | 52.2 | 39% | 0.39 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -71.6 | -14.2 | -178 | 65.9 | -0.8 | 0 | 0 | 0 | 114.2 | G161 E162 V164 | N145-G161 WeakPolarHBondContact OD1-CA 3.36Å; N145-E162 PolarHBondContact N-O 3.33Å; N145-E162 PolarHBondContact OD1-N 3.4Å; N145-E162 PolarHBondContact OD1-O 2.93Å; N145-V164 HydrophobicContact CB-CG1 3.83Å; N145-V164 HydrophobicContact CB-CG2 4.42Å |
| 146 | R | 97.8 | Very high | 91.7 | Very high | 108 Ų | 108 | 47.4 Ų | 47.4 | 41% | 0.408 | 26% | 0.256 | S | S | . | . | trans | -147.4 | 136.6 | 178.6 | -173.6 | 173.2 | -179.3 | -122.3 | 9.2 | 111.4 | T125 Y126 Y144 G161 | T125-R146 HydrophobicContact CG2-CB 4.49Å; T125-R146 HydrophobicContact CG2-CG 4.13Å; Y126-R146 CarbonylContact O-C 3.34Å; Y126-R146 VanDerWaalsContact O-CA 3.23Å; Y126-R146 WeakPolarHBondContact O-CA 3.48Å; Y144-R146 PolarHBondContact O-N 2.72Å; R146-G161 PolarHBondContact O-N 2.86Å | ||
| 147 | F | 97.7 | Very high | 92.4 | Very high | 3 Ų | 3 | 48.3 Ų | 48.3 | 1% | 0.013 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 126.7 | 173.2 | 171.6 | -91.4 | 0 | 0 | 0 | 110 | I43 I115 T119 Y126 L128 I149 L158 R159 L160 W203 I251 | I43-F147 HydrophobicContact CD1-CE1 4.17Å; I43-F147 HydrophobicContact CD1-CZ 4.01Å; I115-F147 HydrophobicContact CG2-CE1 3.83Å; I115-F147 HydrophobicContact CG2-CZ 4.24Å; T119-F147 HydrophobicContact CG2-CD1 3.88Å; T119-F147 HydrophobicContact CG2-CE1 4.03Å; Y126-F147 PolarHBondContact O-N 2.7Å; L128-F147 HydrophobicContact CB-CB 3.67Å; L128-F147 HydrophobicContact CB-CD2 4.26Å; L128-F147 HydrophobicContact CB-CG 4.04Å; L128-F147 HydrophobicContact CD1-CB 4.5Å; L128-F147 HydrophobicContact CD1-CD1 4.25Å; L128-F147 HydrophobicContact CD1-CD2 3.86Å; L128-F147 HydrophobicContact CD1-CE1 4.44Å; L128-F147 HydrophobicContact CD1-CE2 4.05Å; L128-F147 HydrophobicContact CD1-CG 3.95Å; L128-F147 HydrophobicContact CD1-CZ 4.34Å; L128-F147 HydrophobicContact CD2-CD2 3.77Å; L128-F147 HydrophobicContact CD2-CE2 4.25Å; L128-F147 HydrophobicContact CD2-CG 4.39Å; L128-F147 HydrophobicContact CG-CB 4.5Å; L128-F147 HydrophobicContact CG-CD2 4.2Å; L128-F147 HydrophobicContact CG-CG 4.37Å; F147-I149 HydrophobicContact CE1-CG2 4.39Å; F147-I149 HydrophobicContact CE2-CG2 4.25Å; F147-I149 HydrophobicContact CZ-CG2 3.82Å; F147-L158 HydrophobicContact CD2-CD1 3.66Å; F147-L158 HydrophobicContact CE2-CD1 3.44Å; F147-L158 VanDerWaalsContact CE2-CD1 3.44Å; F147-L158 HydrophobicContact CZ-CD1 4.49Å; F147-R159 WeakPolarHBondContact CA-O 3.32Å; F147-L160 HydrophobicContact CD2-CD1 4.28Å; F147-W203 HydrophobicContact CE2-CH2 4.43Å; F147-W203 HydrophobicContact CZ-CH2 4.41Å; F147-I251 HydrophobicContact CD1-CG2 3.49Å; F147-I251 VanDerWaalsContact CD1-CG2 3.49Å; F147-I251 HydrophobicContact CE1-CG2 3.66Å; F147-I251 HydrophobicContact CG-CG2 4.36Å |
| 148 | R | 96.6 | Very high | 92.9 | Very high | 59 Ų | 59 | 45.9 Ų | 45.9 | 22% | 0.223 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 160.7 | 161.5 | 67.4 | -177.2 | -173.8 | 95.7 | 7.5 | 109.9 | T119 N120 D150 R159 | T119-R148 VanDerWaalsContact CB-CB 3.49Å; T119-R148 WeakPolarHBondContact O-CB 2.84Å; T119-R148 WeakPolarHBondContact OG1-CA 3.4Å; T119-R148 WeakPolarHBondContact OG1-CB 3.46Å; N120-R148 WeakPolarHBondContact OD1-CD 3.4Å; N120-R148 PolarHBondContact OD1-NH1 3.41Å; R148-D150 IonicContact CZ-OD1 2.74Å; R148-D150 IonicContact NH1-OD1 3.91Å; R148-D150 PolarHBondContact NH1-OD1 3.07Å; R148-D150 IonicContact NH2-OD1 3.62Å; R148-R159 HydrophobicContact CG-CB 3.53Å; R148-R159 HydrophobicContact CG-CG 4.02Å; R148-R159 PolarHBondContact N-O 2.99Å; R148-R159 PolarHBondContact O-N 2.87Å |
| 149 | I | 95.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 136.7 | 169.2 | 67.9 | 179.9 | 0 | 0 | 0 | 108.7 | N112 I115 S116 T119 N120 F147 Y156 R157 L158 W203 | N112-I149 WeakPolarHBondContact O-CD1 3.15Å; I115-I149 HydrophobicContact CB-CD1 3.6Å; I115-I149 HydrophobicContact CB-CG1 4.3Å; I115-I149 HydrophobicContact CG2-CD1 3.56Å; I115-I149 HydrophobicContact CG2-CG1 3.95Å; S116-I149 PolarHBondContact OG-O 2.75Å; S116-I149 VanDerWaalsContact OG-O 3.05Å; T119-I149 PolarHBondContact OG1-N 3.41Å; N120-I149 PolarHBondContact ND2-O 2.83Å; F147-I149 HydrophobicContact CE1-CG2 4.39Å; F147-I149 HydrophobicContact CE2-CG2 4.25Å; F147-I149 HydrophobicContact CZ-CG2 3.82Å; I149-Y156 HydrophobicContact CD1-CD1 4.31Å; I149-Y156 HydrophobicContact CD1-CG 4.5Å; I149-R157 CarbonylContact C-O 3.38Å; I149-R157 VanDerWaalsContact CA-O 3.29Å; I149-R157 WeakPolarHBondContact CA-O 3.23Å; I149-L158 HydrophobicContact CG2-CD1 4.39Å; I149-W203 HydrophobicContact CG2-CZ2 3.7Å |
| 150 | D | 94.3 | Very high | 94 | Very high | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | trans | -65.1 | 171.4 | 178.3 | -68.1 | -30.1 | 0 | 0 | 0 | 111 | S116 R148 Q154 Y156 R157 R159 | S116-D150 VanDerWaalsContact OG-C 3.26Å; S116-D150 PolarHBondContact OG-O 2.68Å; R148-D150 IonicContact CZ-OD1 2.74Å; R148-D150 IonicContact NH1-OD1 3.91Å; R148-D150 PolarHBondContact NH1-OD1 3.07Å; R148-D150 IonicContact NH2-OD1 3.62Å; D150-Q154 HydrophobicContact CB-CB 3.74Å; D150-Q154 PolarHBondContact OD2-OE1 3.4Å; D150-Y156 VanDerWaalsContact O-CA 3.31Å; D150-Y156 WeakPolarHBondContact O-CA 3.43Å; D150-Y156 WeakPolarHBondContact O-CD1 3.46Å; D150-R157 HydrophobicContact CB-CB 4.2Å; D150-R157 PolarHBondContact N-O 3Å; D150-R159 IonicContact OD1-NE 3.79Å; D150-R159 IonicContact OD2-CZ 3.55Å; D150-R159 IonicContact OD2-NE 3.61Å; D150-R159 PolarHBondContact OD2-NE 3.46Å; D150-R159 IonicContact OD2-NH2 3.44Å; D150-R159 PolarHBondContact OD2-NH2 2.96Å | ||
| 151 | P | 91.1 | Very high | 94.4 | Very high | 58 Ų | 58 | 38.6 Ų | 38.6 | 38% | 0.377 | 18% | 0.183 | S | C | . | . | trans | -69.5 | 175.8 | 178.5 | -16.8 | 31.3 | 0 | 0 | 0 | 113.1 | S116 D153 Q154 F155 Y156 | S116-P151 WeakPolarHBondContact OG-CA 3.47Å; P151-D153 VanDerWaalsContact C-N 3.29Å; P151-D153 WeakPolarHBondContact CB-OD1 3.31Å; P151-D153 PolarHBondContact O-N 2.93Å; P151-Q154 CarbonylContact O-C 3.58Å; P151-Q154 PolarHBondContact O-N 3.2Å; P151-Q154 VanDerWaalsContact O-N 3.09Å; P151-F155 PolarHBondContact O-N 2.87Å; P151-Y156 PolarHBondContact O-N 3.38Å; P151-Y156 VanDerWaalsContact O-N 3.08Å | ||
| 152 | E | 88.6 | Confident | 94.6 | Very high | 45 Ų | 45 | 41.6 Ų | 41.6 | 21% | 0.21 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -62.4 | -34.3 | -175.3 | -174.3 | 176.1 | -164.4 | 0 | 0 | 113.4 | W57 K61 Q154 F155 Y156 R184 | W57-E152 HydrophobicContact CZ2-CG 4.11Å; W57-E152 PolarHBondContact NE1-OE1 3.02Å; W57-E152 VanDerWaalsContact NE1-OE1 3.13Å; K61-E152 WeakPolarHBondContact CD-OE1 3.41Å; K61-E152 WeakPolarHBondContact CE-OE2 3.16Å; K61-E152 VanDerWaalsContact NZ-CD 3.31Å; K61-E152 IonicContact NZ-OE1 3.4Å; K61-E152 PolarHBondContact NZ-OE1 2.75Å; K61-E152 IonicContact NZ-OE2 4Å; K61-E152 PolarHBondContact NZ-OE2 3.23Å; E152-Q154 PolarHBondContact O-N 3.3Å; E152-F155 WeakPolarHBondContact O-CA 3.42Å; E152-F155 PolarHBondContact O-N 2.75Å; E152-Y156 HydrophobicContact CB-CE1 3.76Å; E152-Y156 HydrophobicContact CB-CE2 4.4Å; E152-Y156 HydrophobicContact CG-CE1 4.4Å; E152-Y156 HydrophobicContact CG-CE2 4.16Å; E152-R184 IonicContact OE1-CZ 2.82Å; E152-R184 IonicContact OE1-NH1 3.19Å; E152-R184 PolarHBondContact OE1-NH1 2.82Å; E152-R184 IonicContact OE1-NH2 2.71Å |
| 153 | D | 89.5 | Confident | 94.7 | Very high | 120 Ų | 120 | 44.2 Ų | 44.2 | 64% | 0.642 | 21% | 0.207 | S | C | * | . | G | 310 helix | trans | -65.4 | -21.5 | 177.1 | 65 | -15.4 | 0 | 0 | 0 | 112.7 | P151 F155 | P151-D153 VanDerWaalsContact C-N 3.29Å; P151-D153 WeakPolarHBondContact CB-OD1 3.31Å; P151-D153 PolarHBondContact O-N 2.93Å; D153-F155 WeakPolarHBondContact O-CE2 3.31Å |
| 154 | Q | 91.3 | Very high | 94.7 | Very high | 89 Ų | 89 | 47 Ų | 47 | 42% | 0.416 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -105 | 21.1 | 169.5 | -60.1 | -165.8 | 4.6 | 0 | 0 | 112.5 | D150 P151 E152 Y156 R157 | D150-Q154 HydrophobicContact CB-CB 3.74Å; D150-Q154 PolarHBondContact OD2-OE1 3.4Å; P151-Q154 CarbonylContact O-C 3.58Å; P151-Q154 PolarHBondContact O-N 3.2Å; P151-Q154 VanDerWaalsContact O-N 3.09Å; E152-Q154 PolarHBondContact O-N 3.3Å; Q154-Y156 VanDerWaalsContact C-N 3.26Å; Q154-Y156 PolarHBondContact O-N 3.4Å; Q154-R157 WeakPolarHBondContact O-CB 3.17Å; Q154-R157 PolarHBondContact O-N 3.35Å |
| 155 | F | 88.8 | Confident | 94.6 | Very high | 22 Ų | 22 | 50.5 Ų | 50.5 | 10% | 0.096 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58 | 34.4 | 172.1 | -53.7 | -87.2 | 0 | 0 | 0 | 114 | W57 P151 E152 D153 R157 P178 F179 K186 D187 | W57-F155 HydrophobicContact CH2-CB 4.45Å; P151-F155 PolarHBondContact O-N 2.87Å; E152-F155 WeakPolarHBondContact O-CA 3.42Å; E152-F155 PolarHBondContact O-N 2.75Å; D153-F155 WeakPolarHBondContact O-CE2 3.31Å; F155-R157 PolarHBondContact O-N 3.2Å; F155-R157 VanDerWaalsContact O-N 3.14Å; F155-P178 HydrophobicContact CB-CB 3.82Å; F155-F179 WeakPolarHBondContact O-CB 3.33Å; F155-F179 PolarHBondContact O-N 3.06Å; F155-K186 HydrophobicContact CE1-CB 3.52Å; F155-K186 HydrophobicContact CZ-CB 3.69Å; F155-K186 HydrophobicContact CZ-CD 4.48Å; F155-D187 HydrophobicContact CD2-CB 4.02Å; F155-D187 WeakPolarHBondContact CD2-OD2 3.39Å; F155-D187 HydrophobicContact CE2-CB 3.87Å; F155-D187 VanDerWaalsContact CE2-OD1 3.24Å; F155-D187 WeakPolarHBondContact CE2-OD1 3.44Å; F155-D187 WeakPolarHBondContact CE2-OD2 3.33Å; F155-D187 HydrophobicContact CZ-CB 4.17Å; F155-D187 WeakPolarHBondContact CZ-OD1 3.48Å |
| 156 | Y | 92.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | 36.3 | 179.6 | -52.4 | -57.6 | 0 | 0 | 0 | 113.5 | W57 N112 D113 I149 D150 P151 E152 Q154 L158 W203 | W57-Y156 AromaticContact CE2-CE2 3.81Å; W57-Y156 AromaticContact CH2-CD2 3.42Å; W57-Y156 HydrophobicContact CH2-CD2 3.42Å; W57-Y156 VanDerWaalsContact CH2-CD2 3.42Å; W57-Y156 AromaticContact CH2-CE2 3.74Å; W57-Y156 HydrophobicContact CH2-CE2 3.74Å; W57-Y156 AromaticContact CZ2-CD2 3.41Å; W57-Y156 HydrophobicContact CZ2-CD2 3.41Å; W57-Y156 VanDerWaalsContact CZ2-CD2 3.41Å; W57-Y156 AromaticContact CZ2-CE2 3.18Å; W57-Y156 HydrophobicContact CZ2-CE2 3.18Å; W57-Y156 HydrophobicContact CZ3-CD2 4.34Å; N112-Y156 HydrophobicContact CB-CD1 3.83Å; N112-Y156 HydrophobicContact CB-CD2 3.65Å; N112-Y156 HydrophobicContact CB-CE1 3.6Å; N112-Y156 HydrophobicContact CB-CE2 3.38Å; N112-Y156 HydrophobicContact CB-CG 3.86Å; N112-Y156 VanDerWaalsContact ND2-CD2 3.33Å; N112-Y156 WeakPolarHBondContact ND2-CD2 3.27Å; D113-Y156 WeakPolarHBondContact OD1-CE1 3.39Å; D113-Y156 PolarHBondContact OD1-OH 3.18Å; I149-Y156 HydrophobicContact CD1-CD1 4.31Å; I149-Y156 HydrophobicContact CD1-CG 4.5Å; D150-Y156 VanDerWaalsContact O-CA 3.31Å; D150-Y156 WeakPolarHBondContact O-CA 3.43Å; D150-Y156 WeakPolarHBondContact O-CD1 3.46Å; P151-Y156 PolarHBondContact O-N 3.38Å; P151-Y156 VanDerWaalsContact O-N 3.08Å; E152-Y156 HydrophobicContact CB-CE1 3.76Å; E152-Y156 HydrophobicContact CB-CE2 4.4Å; E152-Y156 HydrophobicContact CG-CE1 4.4Å; E152-Y156 HydrophobicContact CG-CE2 4.16Å; Q154-Y156 VanDerWaalsContact C-N 3.26Å; Q154-Y156 PolarHBondContact O-N 3.4Å; Y156-L158 PolarHBondContact O-N 3.12Å; Y156-W203 PolarHBondContact O-NE1 3.19Å |
| 157 | R | 92.9 | Very high | 93.5 | Very high | 80 Ų | 80 | 48.5 Ų | 48.5 | 30% | 0.302 | 26% | 0.257 | S | S | . | . | trans | -53.5 | 132.9 | -177.2 | -179 | 178.3 | -65.5 | -111.7 | 5.3 | 111.6 | I149 D150 Q154 F155 R159 D176 A177 | I149-R157 CarbonylContact C-O 3.38Å; I149-R157 VanDerWaalsContact CA-O 3.29Å; I149-R157 WeakPolarHBondContact CA-O 3.23Å; D150-R157 HydrophobicContact CB-CB 4.2Å; D150-R157 PolarHBondContact N-O 3Å; Q154-R157 WeakPolarHBondContact O-CB 3.17Å; Q154-R157 PolarHBondContact O-N 3.35Å; F155-R157 PolarHBondContact O-N 3.2Å; F155-R157 VanDerWaalsContact O-N 3.14Å; R157-R159 PolarHBondContact O-N 2.92Å; R157-D176 VanDerWaalsContact CD-O 3.28Å; R157-D176 WeakPolarHBondContact CD-O 3.4Å; R157-D176 VanDerWaalsContact CG-O 3.26Å; R157-D176 WeakPolarHBondContact CG-O 3.19Å; R157-D176 PolarHBondContact NH1-O 3.43Å; R157-A177 WeakPolarHBondContact CA-O 3.18Å | ||
| 158 | L | 94.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 124.1 | -178.6 | 178.3 | 61.7 | 0 | 0 | 0 | 111.1 | F147 I149 Y156 L160 L171 D176 A177 W203 | F147-L158 HydrophobicContact CD2-CD1 3.66Å; F147-L158 HydrophobicContact CE2-CD1 3.44Å; F147-L158 VanDerWaalsContact CE2-CD1 3.44Å; F147-L158 HydrophobicContact CZ-CD1 4.49Å; I149-L158 HydrophobicContact CG2-CD1 4.39Å; Y156-L158 PolarHBondContact O-N 3.12Å; L158-L160 HydrophobicContact CD1-CB 4.49Å; L158-L160 HydrophobicContact CD2-CB 4.34Å; L158-L160 HydrophobicContact CG-CB 4.14Å; L158-L171 HydrophobicContact CD2-CD1 4.18Å; L158-L171 HydrophobicContact CD2-CD2 4.36Å; L158-L171 HydrophobicContact CD2-CG 4.1Å; L158-D176 WeakPolarHBondContact O-CA 3.47Å; L158-D176 PolarHBondContact O-N 3.34Å; L158-A177 PolarHBondContact N-O 3.1Å; L158-W203 HydrophobicContact CB-CB 4.11Å; L158-W203 VanDerWaalsContact CB-CD1 3.49Å; L158-W203 HydrophobicContact CB-CD2 4Å; L158-W203 HydrophobicContact CB-CG 3.6Å; L158-W203 HydrophobicContact CD1-CD2 4.47Å; L158-W203 HydrophobicContact CD2-CB 4.33Å; L158-W203 HydrophobicContact CD2-CD2 4.2Å; L158-W203 HydrophobicContact CD2-CE3 4.31Å; L158-W203 HydrophobicContact CD2-CG 4.23Å; L158-W203 HydrophobicContact CG-CD2 4.46Å; L158-W203 HydrophobicContact CG-CG 4.44Å |
| 159 | R | 96.9 | Very high | 92.6 | Very high | 64 Ų | 64 | 49.3 Ų | 49.3 | 24% | 0.242 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 98.3 | 171 | -56 | -59.8 | -172.9 | 167.6 | 4.3 | 108.6 | F147 R148 D150 R157 D176 | F147-R159 WeakPolarHBondContact CA-O 3.32Å; R148-R159 HydrophobicContact CG-CB 3.53Å; R148-R159 HydrophobicContact CG-CG 4.02Å; R148-R159 PolarHBondContact N-O 2.99Å; R148-R159 PolarHBondContact O-N 2.87Å; D150-R159 IonicContact OD1-NE 3.79Å; D150-R159 IonicContact OD2-CZ 3.55Å; D150-R159 IonicContact OD2-NE 3.61Å; D150-R159 PolarHBondContact OD2-NE 3.46Å; D150-R159 IonicContact OD2-NH2 3.44Å; D150-R159 PolarHBondContact OD2-NH2 2.96Å; R157-R159 PolarHBondContact O-N 2.92Å; R159-D176 VanDerWaalsContact CD-OD1 3.3Å; R159-D176 WeakPolarHBondContact CD-OD1 3.31Å; R159-D176 IonicContact CZ-OD1 3.82Å; R159-D176 IonicContact NE-OD1 2.68Å; R159-D176 IonicContact NH1-OD1 3.13Å; R159-D176 PolarHBondContact NH1-OD1 3Å |
| 160 | L | 97.1 | Very high | 92.2 | Very high | 11 Ų | 11 | 49.5 Ų | 49.5 | 6% | 0.058 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 133.7 | -173.2 | -165.9 | 70.7 | 0 | 0 | 0 | 110.5 | L128 Y144 F147 L158 L171 R175 | L128-L160 HydrophobicContact CD2-CD1 4.05Å; Y144-L160 HydrophobicContact CD1-CD1 3.86Å; Y144-L160 HydrophobicContact CD1-CD2 3.75Å; Y144-L160 HydrophobicContact CD1-CG 3.71Å; Y144-L160 HydrophobicContact CD2-CD1 4.13Å; Y144-L160 HydrophobicContact CE1-CD1 4.42Å; Y144-L160 HydrophobicContact CE1-CD2 3.59Å; Y144-L160 HydrophobicContact CE1-CG 4.11Å; Y144-L160 HydrophobicContact CG-CD1 3.71Å; Y144-L160 HydrophobicContact CG-CD2 4.39Å; Y144-L160 HydrophobicContact CG-CG 4.11Å; F147-L160 HydrophobicContact CD2-CD1 4.28Å; L158-L160 HydrophobicContact CD1-CB 4.49Å; L158-L160 HydrophobicContact CD2-CB 4.34Å; L158-L160 HydrophobicContact CG-CB 4.14Å; L160-L171 HydrophobicContact CD1-CD2 3.83Å; L160-L171 HydrophobicContact CD2-CB 4.04Å; L160-L171 HydrophobicContact CD2-CD2 3.85Å; L160-L171 HydrophobicContact CD2-CG 3.77Å; L160-R175 HydrophobicContact CB-CG 4.34Å; L160-R175 PolarHBondContact O-NE 3.2Å |
| 161 | G | 97.3 | Very high | 92.1 | Very high | 10 Ų | 10 | 49.5 Ų | 49.5 | 10% | 0.103 | 27% | 0.269 | C | S | . | . | trans | -79.3 | -154 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | N145 R146 R175 | N145-G161 WeakPolarHBondContact OD1-CA 3.36Å; R146-G161 PolarHBondContact O-N 2.86Å; G161-R175 PolarHBondContact O-NH2 2.83Å | ||
| 162 | E | 97.1 | Very high | 92.1 | Very high | 101 Ų | 101 | 53.9 Ų | 53.9 | 47% | 0.472 | 28% | 0.278 | S | S | . | . | trans | -89.6 | 144.9 | -178.7 | -61.8 | -53.3 | 126.7 | 0 | 0 | 111.1 | Y144 N145 V164 R175 | Y144-E162 VanDerWaalsContact CA-O 3.29Å; Y144-E162 WeakPolarHBondContact CA-O 3.49Å; N145-E162 PolarHBondContact N-O 3.33Å; N145-E162 PolarHBondContact OD1-N 3.4Å; N145-E162 PolarHBondContact OD1-O 2.93Å; E162-V164 PolarHBondContact O-N 2.83Å; E162-R175 IonicContact OE1-CZ 3.88Å; E162-R175 IonicContact OE1-NH1 2.63Å; E162-R175 PolarHBondContact OE1-NH1 3.2Å; E162-R175 VanDerWaalsContact OE1-NH1 3.14Å; E162-R175 IonicContact OE1-NH2 2.97Å; E162-R175 PolarHBondContact OE1-NH2 2.99Å; E162-R175 IonicContact OE2-NH2 2.94Å | ||
| 163 | M | 96.8 | Very high | 92.1 | Very high | 54 Ų | 54 | 54.4 Ų | 54.4 | 27% | 0.266 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 120.7 | 171.1 | -172.2 | -179.3 | 74.3 | 0 | 0 | 108.7 | V142 K143 Y144 E165 G166 D169 | V142-M163 HydrophobicContact CG1-CG 3.77Å; V142-M163 HydrophobicContact CG1-SD 3.59Å; V142-M163 VanDerWaalsContact CG1-SD 3.59Å; K143-M163 CarbonylContact O-C 3.57Å; K143-M163 WeakPolarHBondContact O-CA 3.49Å; Y144-M163 HydrophobicContact CD1-CB 4.05Å; Y144-M163 HydrophobicContact CE1-CB 3.76Å; Y144-M163 HydrophobicContact CE1-CG 4.3Å; M163-E165 WeakPolarHBondContact CG-O 3.12Å; M163-G166 WeakPolarHBondContact CE-O 3.26Å; M163-D169 HydrophobicContact CB-CB 4.42Å; M163-D169 HydrophobicContact CE-CB 3.98Å; M163-D169 HydrophobicContact SD-CB 3.62Å |
| 164 | V | 97.1 | Very high | 92.1 | Very high | 87 Ų | 87 | 48.9 Ų | 48.9 | 53% | 0.527 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | -11 | -178.1 | -65.4 | 0 | 0 | 0 | 0 | 113.1 | K143 N145 E162 | K143-V164 HydrophobicContact CB-CG2 4.08Å; K143-V164 HydrophobicContact CD-CG2 4.12Å; K143-V164 HydrophobicContact CG-CG2 3.94Å; K143-V164 PolarHBondContact O-N 2.77Å; N145-V164 HydrophobicContact CB-CG1 3.83Å; N145-V164 HydrophobicContact CB-CG2 4.42Å; E162-V164 PolarHBondContact O-N 2.83Å |
| 165 | E | 95.7 | Very high | 92.2 | Very high | 73 Ų | 73 | 48.2 Ų | 48.2 | 34% | 0.341 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 142.8 | 174.7 | -164.6 | -173.6 | 143.3 | 0 | 0 | 108.6 | Q36 V142 K143 M163 | Q36-E165 PolarHBondContact NE2-OE1 3.16Å; Q36-E165 PolarHBondContact NE2-OE2 3.17Å; V142-E165 CarbonylContact C-O 3.37Å; V142-E165 WeakPolarHBondContact CA-O 3.35Å; K143-E165 HydrophobicContact CB-CB 3.45Å; K143-E165 VanDerWaalsContact CB-CB 3.45Å; K143-E165 PolarHBondContact N-O 2.93Å; K143-E165 PolarHBondContact O-N 2.96Å; M163-E165 WeakPolarHBondContact CG-O 3.12Å |
| 166 | G | 91 | Very high | 92.4 | Very high | 37 Ų | 37 | 50.3 Ų | 50.3 | 38% | 0.381 | 26% | 0.261 | S | S | . | . | trans | 112.1 | 164.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | T141 M163 | T141-G166 WeakPolarHBondContact O-CA 3Å; M163-G166 WeakPolarHBondContact CE-O 3.26Å | ||
| 167 | S | 83 | Confident | 92.3 | Very high | 102 Ų | 102 | 50.6 Ų | 50.6 | 71% | 0.713 | 26% | 0.263 | S | S | * | . | S | Bend | trans | -100.6 | -28.4 | -174.7 | 53.5 | 0 | 0 | 0 | 0 | 114.1 | ||
| 168 | V | 85.2 | Confident | 92.1 | Very high | 43 Ų | 43 | 47.6 Ų | 47.6 | 26% | 0.261 | 25% | 0.254 | S | S | . | . | trans | -129.8 | 114.3 | -177.5 | -169.9 | 0 | 0 | 0 | 0 | 112 | S170 W232 A233 | V168-S170 VanDerWaalsContact C-N 3.34Å; V168-S170 PolarHBondContact O-N 3.13Å; V168-W232 PolarHBondContact O-NE1 3.28Å; V168-W232 VanDerWaalsContact O-NE1 3.11Å; V168-A233 HydrophobicContact CG1-CB 4.31Å; V168-A233 VanDerWaalsContact CG1-O 3.26Å; V168-A233 WeakPolarHBondContact CG1-O 3.44Å | ||
| 169 | D | 88.9 | Confident | 91.9 | Very high | 36 Ų | 36 | 47.8 Ų | 47.8 | 19% | 0.193 | 26% | 0.255 | C | S | . | . | trans | -84 | 73.8 | 178.4 | -166.5 | -9.5 | 0 | 0 | 0 | 112.4 | Y144 M163 L171 R172 | Y144-D169 VanDerWaalsContact CE1-OD1 3.32Å; Y144-D169 WeakPolarHBondContact CE1-OD1 3.4Å; Y144-D169 PolarHBondContact OH-OD1 2.65Å; M163-D169 HydrophobicContact CB-CB 4.42Å; M163-D169 HydrophobicContact CE-CB 3.98Å; M163-D169 HydrophobicContact SD-CB 3.62Å; D169-L171 VanDerWaalsContact C-N 3.35Å; D169-R172 HydrophobicContact CB-CB 4.47Å; D169-R172 VanDerWaalsContact CG-CB 3.46Å; D169-R172 VanDerWaalsContact OD1-CB 3.31Å; D169-R172 WeakPolarHBondContact OD1-CB 3.05Å; D169-R172 PolarHBondContact OD1-N 3.39Å; D169-R172 WeakPolarHBondContact OD2-CB 3.26Å | ||
| 170 | S | 88.1 | Confident | 91.5 | Very high | 4 Ų | 4 | 44.8 Ų | 44.8 | 3% | 0.028 | 24% | 0.244 | C | C | . | . | trans | -76.9 | -17.9 | 179.7 | -70.9 | 0 | 0 | 0 | 0 | 114 | V168 V173 G211 G212 W232 A233 | V168-S170 VanDerWaalsContact C-N 3.34Å; V168-S170 PolarHBondContact O-N 3.13Å; S170-V173 WeakPolarHBondContact O-CG2 3.24Å; S170-G211 WeakPolarHBondContact CB-O 3.3Å; S170-G211 CarbonylContact O-C 3.57Å; S170-G211 VanDerWaalsContact O-CA 3.26Å; S170-G211 WeakPolarHBondContact O-CA 3.45Å; S170-G211 PolarHBondContact OG-O 2.63Å; S170-G211 VanDerWaalsContact OG-O 3.1Å; S170-G212 PolarHBondContact O-N 2.83Å; S170-W232 VanDerWaalsContact CB-CD2 3.5Å; S170-W232 PolarHBondContact OG-NE1 2.82Å; S170-A233 WeakPolarHBondContact OG-CB 3.4Å; S170-A233 PolarHBondContact OG-N 2.71Å; S170-A233 VanDerWaalsContact OG-N 3.13Å | ||
| 171 | L | 90.9 | Very high | 91 | Very high | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.016 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -88.9 | -20.7 | -178.8 | -167.4 | 64.4 | 0 | 0 | 0 | 112.7 | L128 I130 Y144 L158 L160 D169 V173 S174 W202 W232 | L128-L171 HydrophobicContact CD2-CD2 3.68Å; I130-L171 HydrophobicContact CD1-CD2 4.08Å; Y144-L171 HydrophobicContact CE2-CB 4.2Å; Y144-L171 HydrophobicContact CE2-CD2 4.09Å; Y144-L171 VanDerWaalsContact OH-CB 3.3Å; Y144-L171 WeakPolarHBondContact OH-CB 3.47Å; L158-L171 HydrophobicContact CD2-CD1 4.18Å; L158-L171 HydrophobicContact CD2-CD2 4.36Å; L158-L171 HydrophobicContact CD2-CG 4.1Å; L160-L171 HydrophobicContact CD1-CD2 3.83Å; L160-L171 HydrophobicContact CD2-CB 4.04Å; L160-L171 HydrophobicContact CD2-CD2 3.85Å; L160-L171 HydrophobicContact CD2-CG 3.77Å; D169-L171 VanDerWaalsContact C-N 3.35Å; L171-V173 PolarHBondContact O-N 2.79Å; L171-V173 VanDerWaalsContact O-N 3.12Å; L171-S174 WeakPolarHBondContact O-CA 3.18Å; L171-S174 VanDerWaalsContact O-CB 3.26Å; L171-S174 WeakPolarHBondContact O-CB 3.16Å; L171-S174 PolarHBondContact O-N 2.87Å; L171-W202 HydrophobicContact CD1-CH2 4.46Å; L171-W202 HydrophobicContact CD1-CZ2 3.6Å; L171-W232 HydrophobicContact CB-CH2 3.81Å; L171-W232 HydrophobicContact CB-CZ3 4.25Å |
| 172 | R | 91.6 | Very high | 90.3 | Very high | 150 Ų | 150 | 48.2 Ų | 48.2 | 57% | 0.566 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -52.4 | -35.9 | 178.8 | -179.3 | 172.4 | 69.4 | 114.5 | 0.6 | 114 | D169 S174 R175 | D169-R172 HydrophobicContact CB-CB 4.47Å; D169-R172 VanDerWaalsContact CG-CB 3.46Å; D169-R172 VanDerWaalsContact OD1-CB 3.31Å; D169-R172 WeakPolarHBondContact OD1-CB 3.05Å; D169-R172 PolarHBondContact OD1-N 3.39Å; D169-R172 WeakPolarHBondContact OD2-CB 3.26Å; R172-S174 PolarHBondContact O-N 2.76Å; R172-S174 VanDerWaalsContact O-N 3.16Å; R172-R175 WeakPolarHBondContact O-CB 3.49Å; R172-R175 PolarHBondContact O-N 3.23Å |
| 173 | V | 88 | Confident | 89.7 | Confident | 56 Ų | 56 | 47.2 Ų | 47.2 | 34% | 0.339 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -65 | -17.8 | 177.4 | -58.5 | 0 | 0 | 0 | 0 | 113.5 | S170 L171 N205 | S170-V173 WeakPolarHBondContact O-CG2 3.24Å; L171-V173 PolarHBondContact O-N 2.79Å; L171-V173 VanDerWaalsContact O-N 3.12Å; V173-N205 WeakPolarHBondContact O-CB 3.43Å; V173-N205 PolarHBondContact O-ND2 2.91Å; V173-N205 VanDerWaalsContact O-ND2 3.11Å |
| 174 | S | 90.2 | Very high | 88.6 | Confident | 4 Ų | 4 | 47.5 Ų | 47.5 | 3% | 0.028 | 25% | 0.25 | C | C | . | . | G | 310 helix | trans | -93.2 | -3.1 | 175.8 | -51.4 | 0 | 0 | 0 | 0 | 112.6 | L171 R172 D176 A177 W202 W203 | L171-S174 WeakPolarHBondContact O-CA 3.18Å; L171-S174 VanDerWaalsContact O-CB 3.26Å; L171-S174 WeakPolarHBondContact O-CB 3.16Å; L171-S174 PolarHBondContact O-N 2.87Å; R172-S174 PolarHBondContact O-N 2.76Å; R172-S174 VanDerWaalsContact O-N 3.16Å; S174-D176 PolarHBondContact O-N 3.3Å; S174-A177 VanDerWaalsContact O-CB 3.29Å; S174-A177 WeakPolarHBondContact O-CB 3.48Å; S174-A177 PolarHBondContact O-N 3.18Å; S174-W202 PolarHBondContact OG-NE1 3.36Å; S174-W203 VanDerWaalsContact CB-O 3.28Å; S174-W203 WeakPolarHBondContact CB-O 3.4Å; S174-W203 PolarHBondContact OG-O 2.68Å |
| 175 | R | 93 | Very high | 86.8 | Confident | 76 Ų | 76 | 50.8 Ų | 50.8 | 29% | 0.287 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 133.3 | 178.3 | -176.5 | -175.6 | -71.4 | -176.1 | -3.5 | 109.4 | L160 G161 E162 R172 A177 | L160-R175 HydrophobicContact CB-CG 4.34Å; L160-R175 PolarHBondContact O-NE 3.2Å; G161-R175 PolarHBondContact O-NH2 2.83Å; E162-R175 IonicContact OE1-CZ 3.88Å; E162-R175 IonicContact OE1-NH1 2.63Å; E162-R175 PolarHBondContact OE1-NH1 3.2Å; E162-R175 VanDerWaalsContact OE1-NH1 3.14Å; E162-R175 IonicContact OE1-NH2 2.97Å; E162-R175 PolarHBondContact OE1-NH2 2.99Å; E162-R175 IonicContact OE2-NH2 2.94Å; R172-R175 WeakPolarHBondContact O-CB 3.49Å; R172-R175 PolarHBondContact O-N 3.23Å; R175-A177 PolarHBondContact O-N 3.26Å |
| 176 | D | 92.9 | Very high | 84.9 | Confident | 66 Ų | 66 | 55.4 Ų | 55.4 | 35% | 0.353 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.3 | 9.3 | -176.9 | -58.5 | -56.6 | 0 | 0 | 0 | 115.1 | R157 L158 R159 S174 | R157-D176 VanDerWaalsContact CD-O 3.28Å; R157-D176 WeakPolarHBondContact CD-O 3.4Å; R157-D176 VanDerWaalsContact CG-O 3.26Å; R157-D176 WeakPolarHBondContact CG-O 3.19Å; R157-D176 PolarHBondContact NH1-O 3.43Å; L158-D176 WeakPolarHBondContact O-CA 3.47Å; L158-D176 PolarHBondContact O-N 3.34Å; R159-D176 VanDerWaalsContact CD-OD1 3.3Å; R159-D176 WeakPolarHBondContact CD-OD1 3.31Å; R159-D176 IonicContact CZ-OD1 3.82Å; R159-D176 IonicContact NE-OD1 2.68Å; R159-D176 IonicContact NH1-OD1 3.13Å; R159-D176 PolarHBondContact NH1-OD1 3Å; S174-D176 PolarHBondContact O-N 3.3Å |
| 177 | A | 89.6 | Confident | 83.2 | Confident | 6 Ų | 6 | 58.6 Ų | 58.6 | 5% | 0.05 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -77.9 | 141.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | R157 L158 S174 R175 W203 Y204 | R157-A177 WeakPolarHBondContact CA-O 3.18Å; L158-A177 PolarHBondContact N-O 3.1Å; S174-A177 VanDerWaalsContact O-CB 3.29Å; S174-A177 WeakPolarHBondContact O-CB 3.48Å; S174-A177 PolarHBondContact O-N 3.18Å; R175-A177 PolarHBondContact O-N 3.26Å; A177-W203 HydrophobicContact CB-CB 4.16Å; A177-Y204 WeakPolarHBondContact CB-O 3.32Å |
| 178 | P | 89.8 | Confident | 82 | Confident | 17 Ų | 17 | 54.8 Ų | 54.8 | 11% | 0.11 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 152.4 | 170.1 | 31 | -34.5 | 0 | 0 | 0 | 110.3 | F155 W203 | F155-P178 HydrophobicContact CB-CB 3.82Å; P178-W203 WeakPolarHBondContact O-CA 3.47Å |
| 179 | F | 89.8 | Confident | 80.8 | Confident | 4 Ų | 4 | 61.8 Ų | 61.8 | 2% | 0.018 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 136.8 | 168.7 | -161.2 | -94.8 | 0 | 0 | 0 | 109.3 | W57 Y60 W72 F155 T181 W203 | W57-F179 HydrophobicContact CE3-CD1 4.35Å; W57-F179 HydrophobicContact CZ3-CB 4.28Å; W57-F179 AromaticContact CZ3-CD1 3.94Å; W57-F179 HydrophobicContact CZ3-CD1 3.94Å; W57-F179 WeakPolarHBondContact CZ3-O 3.12Å; Y60-F179 AromaticContact CD1-CE1 3.88Å; Y60-F179 HydrophobicContact CD1-CE1 3.88Å; Y60-F179 AromaticContact CD1-CZ 3.51Å; Y60-F179 HydrophobicContact CD1-CZ 3.51Å; Y60-F179 HydrophobicContact CD2-CE1 4.21Å; Y60-F179 HydrophobicContact CD2-CZ 4.49Å; Y60-F179 AromaticContact CE1-CZ 3.95Å; Y60-F179 HydrophobicContact CE1-CZ 3.95Å; Y60-F179 AromaticContact CG-CE1 3.64Å; Y60-F179 HydrophobicContact CG-CE1 3.64Å; Y60-F179 AromaticContact CG-CZ 3.8Å; Y60-F179 HydrophobicContact CG-CZ 3.8Å; W72-F179 HydrophobicContact CH2-CE2 4.16Å; W72-F179 HydrophobicContact CH2-CZ 4.5Å; W72-F179 HydrophobicContact CZ2-CE2 4.17Å; W72-F179 HydrophobicContact CZ2-CZ 4.28Å; F155-F179 WeakPolarHBondContact O-CB 3.33Å; F155-F179 PolarHBondContact O-N 3.06Å; F179-T181 HydrophobicContact CD1-CG2 4.45Å; F179-T181 HydrophobicContact CE1-CG2 3.99Å; F179-W203 AromaticContact CD2-CD1 3.9Å; F179-W203 AromaticContact CD2-CD2 3.87Å; F179-W203 HydrophobicContact CD2-CD2 3.87Å; F179-W203 AromaticContact CD2-CE2 3.56Å; F179-W203 HydrophobicContact CD2-CG 4.09Å; F179-W203 AromaticContact CD2-CZ2 3.93Å; F179-W203 HydrophobicContact CD2-CZ2 3.93Å; F179-W203 AromaticContact CD2-NE1 3.61Å; F179-W203 HydrophobicContact CE2-CD2 4.38Å; F179-W203 HydrophobicContact CE2-CH2 4.46Å; F179-W203 HydrophobicContact CE2-CZ2 4.2Å |
| 180 | G | 87.5 | Confident | 79.7 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 149.8 | -178 | 0 | 0 | 0 | 0 | 0 | 111.8 | G201 W202 | G180-G201 WeakPolarHBondContact O-CA 3.29Å; G180-W202 PolarHBondContact N-O 3.21Å; G180-W202 PolarHBondContact O-N 2.5Å; G180-W202 VanDerWaalsContact O-N 3.09Å |
| 181 | T | 87.4 | Confident | 78.6 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 29% | 0.288 | C | S | . | . | trans | -138.3 | 170.5 | 172.2 | 49.9 | 0 | 0 | 0 | 0 | 108.2 | W57 Y60 F179 D183 | W57-T181 WeakPolarHBondContact CA-OG1 3.4Å; W57-T181 HydrophobicContact CE3-CG2 4.32Å; W57-T181 PolarHBondContact N-OG1 2.82Å; Y60-T181 HydrophobicContact CD2-CG2 3.6Å; Y60-T181 HydrophobicContact CE2-CG2 4.22Å; Y60-T181 HydrophobicContact CG-CG2 4.31Å; F179-T181 HydrophobicContact CD1-CG2 4.45Å; F179-T181 HydrophobicContact CE1-CG2 3.99Å; T181-D183 PolarHBondContact O-N 3.12Å; T181-D183 PolarHBondContact OG1-OD1 2.56Å; T181-D183 VanDerWaalsContact OG1-OD1 3.06Å | ||
| 182 | Y | 83.5 | Confident | 77.4 | Confident | 93 Ų | 93 | 62 Ų | 62 | 37% | 0.365 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -17.5 | -175.9 | 64.7 | -100.8 | 0 | 0 | 0 | 114.2 | Q54 R55 A56 | Q54-Y182 HydrophobicContact CG-CE1 4.39Å; R55-Y182 WeakPolarHBondContact O-CE1 3.33Å; A56-Y182 PolarHBondContact N-OH 3.04Å |
| 183 | D | 83.5 | Confident | 76.8 | Confident | 80 Ų | 80 | 58.6 Ų | 58.6 | 43% | 0.428 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | -6.6 | -171.2 | 64.2 | -48.6 | 0 | 0 | 0 | 115.3 | A56 W57 T181 | A56-D183 WeakPolarHBondContact CA-OD1 3.41Å; A56-D183 VanDerWaalsContact CB-OD2 3.3Å; A56-D183 WeakPolarHBondContact CB-OD2 3.46Å; W57-D183 PolarHBondContact N-OD1 2.83Å; W57-D183 PolarHBondContact N-OD2 2.87Å; T181-D183 PolarHBondContact O-N 3.12Å; T181-D183 PolarHBondContact OG1-OD1 2.56Å; T181-D183 VanDerWaalsContact OG1-OD1 3.06Å |
| 184 | R | 74.6 | Confident | 76.5 | Confident | 60 Ų | 60 | 56 Ų | 56 | 23% | 0.226 | 28% | 0.275 | C | S | . | . | trans | -113.4 | 117.8 | -178.3 | -170.2 | 172.4 | 170.8 | 154.9 | -13.4 | 113 | W57 E152 V192 | W57-R184 HydrophobicContact CB-CB 4.01Å; W57-R184 VanDerWaalsContact CD1-NH1 3.34Å; W57-R184 HydrophobicContact CD2-CB 4.32Å; W57-R184 HydrophobicContact CD2-CG 4.37Å; W57-R184 VanDerWaalsContact CE2-CD 3.48Å; W57-R184 HydrophobicContact CE3-CB 4.11Å; W57-R184 VanDerWaalsContact CE3-CD 3.49Å; W57-R184 HydrophobicContact CE3-CG 4.35Å; W57-R184 HydrophobicContact CG-CB 4.3Å; W57-R184 VanDerWaalsContact CG-CD 3.49Å; W57-R184 VanDerWaalsContact CZ2-CZ 3.46Å; E152-R184 IonicContact OE1-CZ 2.82Å; E152-R184 IonicContact OE1-NH1 3.19Å; E152-R184 PolarHBondContact OE1-NH1 2.82Å; E152-R184 IonicContact OE1-NH2 2.71Å; R184-V192 WeakPolarHBondContact O-CG2 3.26Å | ||
| 185 | Q | 58.8 | Low | 75.8 | Confident | 156 Ų | 156 | 55.8 Ų | 55.8 | 73% | 0.729 | 27% | 0.273 | S | S | * | . | trans | -96.1 | -10.8 | -165.8 | -100.6 | -178.2 | 7.3 | 0 | 0 | 117.8 | D187 V192 | Q185-D187 PolarHBondContact O-N 2.93Å; Q185-D187 VanDerWaalsContact O-N 3.16Å; Q185-V192 HydrophobicContact CB-CG2 4.16Å; Q185-V192 HydrophobicContact CG-CB 4.49Å; Q185-V192 HydrophobicContact CG-CG1 4.46Å; Q185-V192 HydrophobicContact CG-CG2 3.58Å | ||
| 186 | K | 54.6 | Low | 75.2 | Confident | 170 Ų | 170 | 54.5 Ų | 54.5 | 74% | 0.739 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -30.9 | -144.8 | -118.5 | -179.5 | 177.5 | -175.2 | 0 | 117.2 | F155 | F155-K186 HydrophobicContact CE1-CB 3.52Å; F155-K186 HydrophobicContact CZ-CB 3.69Å; F155-K186 HydrophobicContact CZ-CD 4.48Å |
| 187 | D | 56.5 | Low | 74.5 | Confident | 104 Ų | 104 | 57.9 Ų | 57.9 | 56% | 0.556 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.6 | 13.1 | -169.3 | -77.4 | 35.8 | 0 | 0 | 0 | 115.6 | F155 Q185 | F155-D187 HydrophobicContact CD2-CB 4.02Å; F155-D187 WeakPolarHBondContact CD2-OD2 3.39Å; F155-D187 HydrophobicContact CE2-CB 3.87Å; F155-D187 VanDerWaalsContact CE2-OD1 3.24Å; F155-D187 WeakPolarHBondContact CE2-OD1 3.44Å; F155-D187 WeakPolarHBondContact CE2-OD2 3.33Å; F155-D187 HydrophobicContact CZ-CB 4.17Å; F155-D187 WeakPolarHBondContact CZ-OD1 3.48Å; Q185-D187 PolarHBondContact O-N 2.93Å; Q185-D187 VanDerWaalsContact O-N 3.16Å |
| 188 | G | 57.4 | Low | 74 | Confident | 21 Ų | 21 | 58 Ų | 58 | 22% | 0.216 | 29% | 0.286 | C | S | . | . | trans | 177.2 | 119.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A190 A191 | G188-A190 PolarHBondContact O-N 3.47Å; G188-A191 PolarHBondContact O-N 2.95Å | ||
| 189 | K | 60.4 | Low | 73.7 | Confident | 190 Ų | 190 | 62.9 Ų | 62.9 | 83% | 0.826 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -47.8 | -33.2 | 173.8 | -71.6 | -178.1 | 178.6 | 179.3 | 0 | 111.9 | V192 T193 | K189-V192 PolarHBondContact O-N 2.97Å; K189-T193 WeakPolarHBondContact O-CB 3.42Å; K189-T193 PolarHBondContact O-N 2.81Å; K189-T193 PolarHBondContact O-OG1 3.05Å |
| 190 | A | 65.1 | Low | 73.6 | Confident | 14 Ų | 14 | 62.7 Ų | 62.7 | 12% | 0.116 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.4 | -49.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | G188 V192 T193 C194 N206 | G188-A190 PolarHBondContact O-N 3.47Å; A190-V192 PolarHBondContact O-N 3.29Å; A190-V192 VanDerWaalsContact O-N 3.14Å; A190-T193 PolarHBondContact O-N 2.79Å; A190-C194 VanDerWaalsContact C-SG 3.59Å; A190-C194 WeakPolarHBondContact O-CB 3.31Å; A190-C194 PolarHBondContact O-N 3.34Å; A190-C194 PolarHBondContact O-SG 2.73Å; A190-N206 VanDerWaalsContact CB-CA 3.5Å; A190-N206 HydrophobicContact CB-CB 4.47Å |
| 191 | A | 66.3 | Low | 73.6 | Confident | 9 Ų | 9 | 62.6 Ų | 62.6 | 7% | 0.074 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -55.2 | -40 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G188 G195 | G188-A191 PolarHBondContact O-N 2.95Å; A191-G195 WeakPolarHBondContact O-CA 3.4Å; A191-G195 PolarHBondContact O-N 2.82Å |
| 192 | V | 65.7 | Low | 73.8 | Confident | 24 Ų | 24 | 62.9 Ų | 62.9 | 15% | 0.145 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -77 | -49.9 | 177.7 | 177.8 | 0 | 0 | 0 | 0 | 111.5 | R184 Q185 K189 A190 C194 G195 A196 | R184-V192 WeakPolarHBondContact O-CG2 3.26Å; Q185-V192 HydrophobicContact CB-CG2 4.16Å; Q185-V192 HydrophobicContact CG-CB 4.49Å; Q185-V192 HydrophobicContact CG-CG1 4.46Å; Q185-V192 HydrophobicContact CG-CG2 3.58Å; K189-V192 PolarHBondContact O-N 2.97Å; A190-V192 PolarHBondContact O-N 3.29Å; A190-V192 VanDerWaalsContact O-N 3.14Å; V192-C194 VanDerWaalsContact C-N 3.33Å; V192-C194 PolarHBondContact O-N 2.82Å; V192-G195 PolarHBondContact O-N 3.48Å; V192-A196 WeakPolarHBondContact O-CB 3.2Å; V192-A196 PolarHBondContact O-N 2.8Å |
| 193 | T | 78.3 | Confident | 74.1 | Confident | 80 Ų | 80 | 58.7 Ų | 58.7 | 49% | 0.491 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.6 | -46.8 | -178.7 | -60.1 | 0 | 0 | 0 | 0 | 110.2 | K189 A190 W197 | K189-T193 WeakPolarHBondContact O-CB 3.42Å; K189-T193 PolarHBondContact O-N 2.81Å; K189-T193 PolarHBondContact O-OG1 3.05Å; A190-T193 PolarHBondContact O-N 2.79Å; T193-W197 WeakPolarHBondContact O-CB 3.17Å; T193-W197 PolarHBondContact O-N 3.4Å |
| 194 | C | 81.8 | Confident | 74.2 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.1 | -45.6 | 175.2 | -47.1 | 0 | 0 | 0 | 0 | 111.1 | A190 V192 A196 W197 F198 Y204 C208 | A190-C194 VanDerWaalsContact C-SG 3.59Å; A190-C194 WeakPolarHBondContact O-CB 3.31Å; A190-C194 PolarHBondContact O-N 3.34Å; A190-C194 PolarHBondContact O-SG 2.73Å; V192-C194 VanDerWaalsContact C-N 3.33Å; V192-C194 PolarHBondContact O-N 2.82Å; C194-A196 VanDerWaalsContact C-N 3.32Å; C194-A196 PolarHBondContact O-N 3.14Å; C194-W197 PolarHBondContact O-N 3.16Å; C194-F198 HydrophobicContact CB-CD2 4.02Å; C194-F198 HydrophobicContact CB-CE2 4.05Å; C194-F198 WeakPolarHBondContact O-CB 3.48Å; C194-F198 WeakPolarHBondContact O-CD2 3.25Å; C194-F198 PolarHBondContact O-N 3.35Å; C194-Y204 HydrophobicContact CB-CD1 3.46Å; C194-Y204 VanDerWaalsContact CB-CD1 3.46Å; C194-Y204 HydrophobicContact CB-CD2 3.88Å; C194-Y204 HydrophobicContact CB-CE1 3.96Å; C194-Y204 HydrophobicContact CB-CE2 4.33Å; C194-Y204 HydrophobicContact CB-CG 3.41Å; C194-Y204 VanDerWaalsContact CB-CG 3.41Å; C194-C208 WeakPolarHBondContact CA-SG 3.3Å; C194-C208 HydrophobicContact CB-CB 3.88Å; C194-C208 WeakPolarHBondContact CB-SG 3.32Å; C194-C208 WeakPolarHBondContact SG-CA 3.42Å; C194-C208 WeakPolarHBondContact SG-CB 3.15Å; C194-C208 CovalentContact SG-SG 2.01Å; C194-C208 PolarHBondContact SG-SG 3.19Å |
| 195 | G | 75.7 | Confident | 74.6 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.4 | -39.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A191 V192 R199 S200 | A191-G195 WeakPolarHBondContact O-CA 3.4Å; A191-G195 PolarHBondContact O-N 2.82Å; V192-G195 PolarHBondContact O-N 3.48Å; G195-R199 WeakPolarHBondContact O-CA 3.49Å; G195-R199 PolarHBondContact O-N 2.85Å; G195-S200 PolarHBondContact O-N 3.24Å |
| 196 | A | 80.1 | Confident | 75.6 | Confident | 50 Ų | 50 | 52.2 Ų | 52.2 | 41% | 0.413 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -71 | -42.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V192 C194 R199 | V192-A196 WeakPolarHBondContact O-CB 3.2Å; V192-A196 PolarHBondContact O-N 2.8Å; C194-A196 VanDerWaalsContact C-N 3.32Å; C194-A196 PolarHBondContact O-N 3.14Å; A196-R199 WeakPolarHBondContact O-CG 3.31Å; A196-R199 PolarHBondContact O-N 3.33Å |
| 197 | W | 77.4 | Confident | 76.7 | Confident | 136 Ų | 136 | 51 Ų | 51 | 52% | 0.515 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -64.5 | -50.3 | 178.6 | -167.1 | -9.2 | 0 | 0 | 0 | 111.5 | T193 C194 R199 | T193-W197 WeakPolarHBondContact O-CB 3.17Å; T193-W197 PolarHBondContact O-N 3.4Å; C194-W197 PolarHBondContact O-N 3.16Å; W197-R199 VanDerWaalsContact C-N 3.33Å |
| 198 | F | 79.1 | Confident | 77.6 | Confident | 8 Ų | 8 | 47 Ų | 47 | 4% | 0.035 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -83.7 | -9 | -180 | -61 | -55.5 | 0 | 0 | 0 | 113.7 | C194 S200 Y204 C208 L210 V216 P217 L227 | C194-F198 HydrophobicContact CB-CD2 4.02Å; C194-F198 HydrophobicContact CB-CE2 4.05Å; C194-F198 WeakPolarHBondContact O-CB 3.48Å; C194-F198 WeakPolarHBondContact O-CD2 3.25Å; C194-F198 PolarHBondContact O-N 3.35Å; F198-S200 PolarHBondContact O-N 3.21Å; F198-S200 PolarHBondContact O-OG 3.49Å; F198-Y204 HydrophobicContact CB-CE1 4.34Å; F198-Y204 HydrophobicContact CD2-CD1 4.06Å; F198-Y204 AromaticContact CD2-CE1 3.4Å; F198-Y204 HydrophobicContact CD2-CE1 3.4Å; F198-Y204 HydrophobicContact CE2-CD1 4.39Å; F198-Y204 HydrophobicContact CE2-CE1 4.12Å; F198-Y204 HydrophobicContact CG-CE1 4.24Å; F198-C208 HydrophobicContact CE2-CB 3.91Å; F198-C208 HydrophobicContact CZ-CB 4.35Å; F198-L210 HydrophobicContact CD1-CD1 3.93Å; F198-L210 HydrophobicContact CD1-CD2 4.01Å; F198-L210 HydrophobicContact CD1-CG 4.41Å; F198-L210 HydrophobicContact CD2-CD2 4.04Å; F198-L210 HydrophobicContact CE1-CD1 3.06Å; F198-L210 HydrophobicContact CE1-CD2 3.69Å; F198-L210 HydrophobicContact CE1-CG 3.62Å; F198-L210 HydrophobicContact CE2-CD1 4.31Å; F198-L210 HydrophobicContact CE2-CD2 3.63Å; F198-L210 HydrophobicContact CE2-CG 3.93Å; F198-L210 HydrophobicContact CG-CD2 4.21Å; F198-L210 HydrophobicContact CZ-CD1 3.29Å; F198-L210 HydrophobicContact CZ-CD2 3.47Å; F198-L210 VanDerWaalsContact CZ-CD2 3.47Å; F198-L210 HydrophobicContact CZ-CG 3.31Å; F198-V216 HydrophobicContact CB-CG1 4.2Å; F198-V216 VanDerWaalsContact O-CG1 3.25Å; F198-V216 WeakPolarHBondContact O-CG1 3.16Å; F198-P217 WeakPolarHBondContact O-CD 3.36Å; F198-L227 HydrophobicContact CD1-CD2 3.96Å; F198-L227 HydrophobicContact CE1-CD2 4.41Å |
| 199 | R | 84.1 | Confident | 78 | Confident | 120 Ų | 120 | 48.2 Ų | 48.2 | 45% | 0.453 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 42.8 | -179.5 | -60.7 | -175.4 | 179.2 | -175.9 | -0.9 | 112.4 | Q54 G195 A196 W197 P217 | Q54-R199 VanDerWaalsContact CA-O 3.31Å; Q54-R199 WeakPolarHBondContact CA-O 3.34Å; Q54-R199 WeakPolarHBondContact CB-O 3.32Å; Q54-R199 HydrophobicContact CG-CB 3.94Å; G195-R199 WeakPolarHBondContact O-CA 3.49Å; G195-R199 PolarHBondContact O-N 2.85Å; A196-R199 WeakPolarHBondContact O-CG 3.31Å; A196-R199 PolarHBondContact O-N 3.33Å; W197-R199 VanDerWaalsContact C-N 3.33Å; R199-P217 HydrophobicContact CB-CG 4.25Å |
| 200 | S | 87 | Confident | 78.1 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -154.3 | 163 | -177.1 | 53.9 | 0 | 0 | 0 | 0 | 111.7 | G195 F198 Y204 N213 N215 | G195-S200 PolarHBondContact O-N 3.24Å; F198-S200 PolarHBondContact O-N 3.21Å; F198-S200 PolarHBondContact O-OG 3.49Å; S200-Y204 VanDerWaalsContact C-OH 3.31Å; S200-Y204 PolarHBondContact O-OH 3.01Å; S200-Y204 PolarHBondContact OG-OH 2.94Å; S200-N213 PolarHBondContact OG-ND2 3.5Å; S200-N215 VanDerWaalsContact CB-C 3.46Å; S200-N215 WeakPolarHBondContact CB-O 3.21Å |
| 201 | G | 89.5 | Confident | 78.1 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | trans | -91.7 | 129.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y60 G180 N215 | Y60-G201 VanDerWaalsContact CE2-CA 3.41Å; Y60-G201 VanDerWaalsContact CZ-CA 3.48Å; Y60-G201 PolarHBondContact OH-N 2.92Å; G180-G201 WeakPolarHBondContact O-CA 3.29Å; G201-N215 VanDerWaalsContact O-CB 3.31Å; G201-N215 WeakPolarHBondContact O-CB 3.42Å; G201-N215 PolarHBondContact O-ND2 2.99Å | ||
| 202 | W | 90.4 | Very high | 78.4 | Confident | 6 Ų | 6 | 41.5 Ų | 41.5 | 2% | 0.023 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 169.2 | 178.8 | -159.7 | -110.2 | 0 | 0 | 0 | 111.9 | L171 S174 G180 Y204 G212 N213 L214 N215 I249 | L171-W202 HydrophobicContact CD1-CH2 4.46Å; L171-W202 HydrophobicContact CD1-CZ2 3.6Å; S174-W202 PolarHBondContact OG-NE1 3.36Å; G180-W202 PolarHBondContact N-O 3.21Å; G180-W202 PolarHBondContact O-N 2.5Å; G180-W202 VanDerWaalsContact O-N 3.09Å; W202-Y204 VanDerWaalsContact C-N 3.31Å; W202-Y204 HydrophobicContact CB-CD1 4.06Å; W202-Y204 HydrophobicContact CB-CD2 4.24Å; W202-Y204 HydrophobicContact CB-CE1 3.6Å; W202-Y204 HydrophobicContact CB-CE2 3.8Å; W202-Y204 HydrophobicContact CB-CG 4.36Å; W202-Y204 VanDerWaalsContact CB-CZ 3.46Å; W202-Y204 HydrophobicContact CG-CE1 4.38Å; W202-Y204 WeakPolarHBondContact O-CD2 3.41Å; W202-Y204 PolarHBondContact O-N 3Å; W202-Y204 VanDerWaalsContact O-N 3.09Å; W202-G212 WeakPolarHBondContact CZ2-O 3.4Å; W202-G212 PolarHBondContact NE1-O 3.3Å; W202-N213 HydrophobicContact CD2-CB 4.3Å; W202-N213 HydrophobicContact CG-CB 4.26Å; W202-L214 HydrophobicContact CH2-CB 4Å; W202-L214 HydrophobicContact CH2-CG 4.07Å; W202-L214 HydrophobicContact CZ3-CB 4.14Å; W202-N215 HydrophobicContact CE3-CB 4.08Å; W202-N215 HydrophobicContact CZ3-CB 4.45Å; W202-I249 HydrophobicContact CH2-CD1 4.17Å; W202-I249 HydrophobicContact CZ3-CD1 4.26Å |
| 203 | W | 90.4 | Very high | 79.2 | Confident | 5 Ų | 5 | 40.4 Ų | 40.4 | 2% | 0.019 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 76.9 | 170.1 | -60.5 | -80.1 | 0 | 0 | 0 | 110.5 | W72 F147 I149 Y156 L158 S174 A177 P178 F179 N205 | W72-W203 AromaticContact CH2-CH2 3.88Å; W72-W203 HydrophobicContact CH2-CH2 3.88Å; W72-W203 HydrophobicContact CH2-CZ3 4.45Å; F147-W203 HydrophobicContact CE2-CH2 4.43Å; F147-W203 HydrophobicContact CZ-CH2 4.41Å; I149-W203 HydrophobicContact CG2-CZ2 3.7Å; Y156-W203 PolarHBondContact O-NE1 3.19Å; L158-W203 HydrophobicContact CB-CB 4.11Å; L158-W203 VanDerWaalsContact CB-CD1 3.49Å; L158-W203 HydrophobicContact CB-CD2 4Å; L158-W203 HydrophobicContact CB-CG 3.6Å; L158-W203 HydrophobicContact CD1-CD2 4.47Å; L158-W203 HydrophobicContact CD2-CB 4.33Å; L158-W203 HydrophobicContact CD2-CD2 4.2Å; L158-W203 HydrophobicContact CD2-CE3 4.31Å; L158-W203 HydrophobicContact CD2-CG 4.23Å; L158-W203 HydrophobicContact CG-CD2 4.46Å; L158-W203 HydrophobicContact CG-CG 4.44Å; S174-W203 VanDerWaalsContact CB-O 3.28Å; S174-W203 WeakPolarHBondContact CB-O 3.4Å; S174-W203 PolarHBondContact OG-O 2.68Å; A177-W203 HydrophobicContact CB-CB 4.16Å; P178-W203 WeakPolarHBondContact O-CA 3.47Å; F179-W203 AromaticContact CD2-CD1 3.9Å; F179-W203 AromaticContact CD2-CD2 3.87Å; F179-W203 HydrophobicContact CD2-CD2 3.87Å; F179-W203 AromaticContact CD2-CE2 3.56Å; F179-W203 HydrophobicContact CD2-CG 4.09Å; F179-W203 AromaticContact CD2-CZ2 3.93Å; F179-W203 HydrophobicContact CD2-CZ2 3.93Å; F179-W203 AromaticContact CD2-NE1 3.61Å; F179-W203 HydrophobicContact CE2-CD2 4.38Å; F179-W203 HydrophobicContact CE2-CH2 4.46Å; F179-W203 HydrophobicContact CE2-CZ2 4.2Å; W203-N205 PolarHBondContact O-N 3.28Å |
| 204 | Y | 85.6 | Confident | 79.8 | Confident | 7 Ų | 7 | 36.6 Ų | 36.6 | 3% | 0.027 | 19% | 0.188 | C | C | . | . | trans | -75.9 | 124.4 | -176.6 | -61.1 | -67.1 | 0 | 0 | 0 | 111.6 | A177 C194 F198 S200 W202 N213 | A177-Y204 WeakPolarHBondContact CB-O 3.32Å; C194-Y204 HydrophobicContact CB-CD1 3.46Å; C194-Y204 VanDerWaalsContact CB-CD1 3.46Å; C194-Y204 HydrophobicContact CB-CD2 3.88Å; C194-Y204 HydrophobicContact CB-CE1 3.96Å; C194-Y204 HydrophobicContact CB-CE2 4.33Å; C194-Y204 HydrophobicContact CB-CG 3.41Å; C194-Y204 VanDerWaalsContact CB-CG 3.41Å; F198-Y204 HydrophobicContact CB-CE1 4.34Å; F198-Y204 HydrophobicContact CD2-CD1 4.06Å; F198-Y204 AromaticContact CD2-CE1 3.4Å; F198-Y204 HydrophobicContact CD2-CE1 3.4Å; F198-Y204 HydrophobicContact CE2-CD1 4.39Å; F198-Y204 HydrophobicContact CE2-CE1 4.12Å; F198-Y204 HydrophobicContact CG-CE1 4.24Å; S200-Y204 VanDerWaalsContact C-OH 3.31Å; S200-Y204 PolarHBondContact O-OH 3.01Å; S200-Y204 PolarHBondContact OG-OH 2.94Å; W202-Y204 VanDerWaalsContact C-N 3.31Å; W202-Y204 HydrophobicContact CB-CD1 4.06Å; W202-Y204 HydrophobicContact CB-CD2 4.24Å; W202-Y204 HydrophobicContact CB-CE1 3.6Å; W202-Y204 HydrophobicContact CB-CE2 3.8Å; W202-Y204 HydrophobicContact CB-CG 4.36Å; W202-Y204 VanDerWaalsContact CB-CZ 3.46Å; W202-Y204 HydrophobicContact CG-CE1 4.38Å; W202-Y204 WeakPolarHBondContact O-CD2 3.41Å; W202-Y204 PolarHBondContact O-N 3Å; W202-Y204 VanDerWaalsContact O-N 3.09Å; Y204-N213 PolarHBondContact OH-ND2 3.38Å | ||
| 205 | N | 83.3 | Confident | 80.2 | Confident | 28 Ų | 28 | 36.6 Ų | 36.6 | 15% | 0.15 | 19% | 0.188 | C | C | . | . | trans | -73.2 | 172.1 | 167 | 75.7 | 13.7 | 0 | 0 | 0 | 111.6 | V173 W203 Q207 C208 A209 | V173-N205 WeakPolarHBondContact O-CB 3.43Å; V173-N205 PolarHBondContact O-ND2 2.91Å; V173-N205 VanDerWaalsContact O-ND2 3.11Å; W203-N205 PolarHBondContact O-N 3.28Å; N205-Q207 PolarHBondContact O-N 3.22Å; N205-Q207 VanDerWaalsContact O-N 3.1Å; N205-Q207 PolarHBondContact OD1-N 3.33Å; N205-Q207 VanDerWaalsContact OD1-N 3.11Å; N205-C208 PolarHBondContact O-N 3.09Å; N205-C208 VanDerWaalsContact O-N 3.12Å; N205-C208 PolarHBondContact OD1-N 2.81Å; N205-C208 VanDerWaalsContact OD1-N 3.16Å; N205-A209 WeakPolarHBondContact ND2-CB 3.25Å; N205-A209 PolarHBondContact OD1-N 3.31Å | ||
| 206 | N | 79.1 | Confident | 80.6 | Confident | 124 Ų | 124 | 36.8 Ų | 36.8 | 66% | 0.663 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -20.2 | -173.6 | -70.6 | -18 | 0 | 0 | 0 | 114.2 | A190 | A190-N206 VanDerWaalsContact CB-CA 3.5Å; A190-N206 HydrophobicContact CB-CB 4.47Å |
| 207 | Q | 77.3 | Confident | 80.6 | Confident | 145 Ų | 145 | 35.6 Ų | 35.6 | 68% | 0.678 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98 | 4.2 | -178.2 | -65.8 | 77.8 | 14.5 | 0 | 0 | 113 | N205 A209 | N205-Q207 PolarHBondContact O-N 3.22Å; N205-Q207 VanDerWaalsContact O-N 3.1Å; N205-Q207 PolarHBondContact OD1-N 3.33Å; N205-Q207 VanDerWaalsContact OD1-N 3.11Å; Q207-A209 HydrophobicContact CB-CB 4.27Å; Q207-A209 PolarHBondContact O-N 2.81Å |
| 208 | C | 74.7 | Confident | 80.3 | Confident | 20 Ų | 20 | 31.5 Ų | 31.5 | 14% | 0.135 | 16% | 0.163 | C | C | . | . | trans | 52.5 | 25.2 | -168.3 | -58.8 | 0 | 0 | 0 | 0 | 112.7 | C194 F198 N205 L210 | C194-C208 WeakPolarHBondContact CA-SG 3.3Å; C194-C208 HydrophobicContact CB-CB 3.88Å; C194-C208 WeakPolarHBondContact CB-SG 3.32Å; C194-C208 WeakPolarHBondContact SG-CA 3.42Å; C194-C208 WeakPolarHBondContact SG-CB 3.15Å; C194-C208 CovalentContact SG-SG 2.01Å; C194-C208 PolarHBondContact SG-SG 3.19Å; F198-C208 HydrophobicContact CE2-CB 3.91Å; F198-C208 HydrophobicContact CZ-CB 4.35Å; N205-C208 PolarHBondContact O-N 3.09Å; N205-C208 VanDerWaalsContact O-N 3.12Å; N205-C208 PolarHBondContact OD1-N 2.81Å; N205-C208 VanDerWaalsContact OD1-N 3.16Å; C208-L210 PolarHBondContact O-N 3.09Å; C208-L210 VanDerWaalsContact O-N 3.07Å | ||
| 209 | A | 66.4 | Low | 79.8 | Confident | 46 Ų | 46 | 33.9 Ų | 33.9 | 38% | 0.38 | 17% | 0.172 | S | C | . | . | trans | -68.5 | 114.6 | -172 | 0 | 0 | 0 | 0 | 0 | 109.1 | N205 Q207 G211 | N205-A209 WeakPolarHBondContact ND2-CB 3.25Å; N205-A209 PolarHBondContact OD1-N 3.31Å; Q207-A209 HydrophobicContact CB-CB 4.27Å; Q207-A209 PolarHBondContact O-N 2.81Å; A209-G211 PolarHBondContact O-N 3.13Å | ||
| 210 | L | 63.7 | Low | 78.3 | Confident | 58 Ų | 58 | 34.5 Ų | 34.5 | 30% | 0.304 | 19% | 0.192 | S | C | . | . | trans | -83.9 | 89.1 | 178.7 | -67.9 | 170 | 0 | 0 | 0 | 109.4 | F198 C208 N213 | F198-L210 HydrophobicContact CD1-CD1 3.93Å; F198-L210 HydrophobicContact CD1-CD2 4.01Å; F198-L210 HydrophobicContact CD1-CG 4.41Å; F198-L210 HydrophobicContact CD2-CD2 4.04Å; F198-L210 HydrophobicContact CE1-CD1 3.06Å; F198-L210 HydrophobicContact CE1-CD2 3.69Å; F198-L210 HydrophobicContact CE1-CG 3.62Å; F198-L210 HydrophobicContact CE2-CD1 4.31Å; F198-L210 HydrophobicContact CE2-CD2 3.63Å; F198-L210 HydrophobicContact CE2-CG 3.93Å; F198-L210 HydrophobicContact CG-CD2 4.21Å; F198-L210 HydrophobicContact CZ-CD1 3.29Å; F198-L210 HydrophobicContact CZ-CD2 3.47Å; F198-L210 VanDerWaalsContact CZ-CD2 3.47Å; F198-L210 HydrophobicContact CZ-CG 3.31Å; C208-L210 PolarHBondContact O-N 3.09Å; C208-L210 VanDerWaalsContact O-N 3.07Å; L210-N213 HydrophobicContact CD2-CB 3.92Å | ||
| 211 | G | 63.8 | Low | 76.6 | Confident | 14 Ų | 14 | 39.7 Ų | 39.7 | 14% | 0.144 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -73.1 | -51.4 | 158.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | S170 A209 A233 | S170-G211 WeakPolarHBondContact CB-O 3.3Å; S170-G211 CarbonylContact O-C 3.57Å; S170-G211 VanDerWaalsContact O-CA 3.26Å; S170-G211 WeakPolarHBondContact O-CA 3.45Å; S170-G211 PolarHBondContact OG-O 2.63Å; S170-G211 VanDerWaalsContact OG-O 3.1Å; A209-G211 PolarHBondContact O-N 3.13Å; G211-A233 PolarHBondContact O-N 2.74Å |
| 212 | G | 73.8 | Confident | 74.8 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.6 | 130.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | S170 W202 Q231 | S170-G212 PolarHBondContact O-N 2.83Å; W202-G212 WeakPolarHBondContact CZ2-O 3.4Å; W202-G212 PolarHBondContact NE1-O 3.3Å; G212-Q231 CarbonylContact C-O 3.56Å; G212-Q231 WeakPolarHBondContact CA-O 3.13Å |
| 213 | N | 82.7 | Confident | 73 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 110.8 | 170.7 | 179.5 | -14.1 | 0 | 0 | 0 | 107.1 | S200 W202 Y204 L210 N215 V216 Q231 | S200-N213 PolarHBondContact OG-ND2 3.5Å; W202-N213 HydrophobicContact CD2-CB 4.3Å; W202-N213 HydrophobicContact CG-CB 4.26Å; Y204-N213 PolarHBondContact OH-ND2 3.38Å; L210-N213 HydrophobicContact CD2-CB 3.92Å; N213-N215 VanDerWaalsContact C-N 3.3Å; N213-N215 WeakPolarHBondContact OD1-CA 3.17Å; N213-N215 WeakPolarHBondContact OD1-CB 3.48Å; N213-N215 PolarHBondContact OD1-N 3.11Å; N213-V216 HydrophobicContact CB-CG2 3.82Å; N213-V216 WeakPolarHBondContact O-CG2 3.35Å; N213-V216 PolarHBondContact OD1-N 3.34Å; N213-Q231 CarbonylContact C-O 3.57Å; N213-Q231 PolarHBondContact N-O 2.92Å; N213-Q231 PolarHBondContact O-N 2.83Å |
| 214 | L | 89.1 | Confident | 71.2 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -90.5 | 0.2 | -175.7 | -56.4 | -177 | 0 | 0 | 0 | 112.9 | Q44 R46 I130 M132 W202 I230 W232 T247 I249 | Q44-L214 PolarHBondContact NE2-O 3.05Å; R46-L214 PolarHBondContact NH1-O 3.16Å; I130-L214 HydrophobicContact CG2-CD1 3.54Å; M132-L214 HydrophobicContact SD-CD2 4.24Å; W202-L214 HydrophobicContact CH2-CB 4Å; W202-L214 HydrophobicContact CH2-CG 4.07Å; W202-L214 HydrophobicContact CZ3-CB 4.14Å; L214-I230 HydrophobicContact CB-CG2 4.33Å; L214-I230 HydrophobicContact CD2-CG2 3.75Å; L214-W232 HydrophobicContact CD1-CE3 4.23Å; L214-W232 HydrophobicContact CD1-CZ3 4.32Å; L214-W232 HydrophobicContact CD2-CB 4.32Å; L214-W232 HydrophobicContact CD2-CE3 4Å; L214-W232 HydrophobicContact CG-CE3 4.24Å; L214-T247 HydrophobicContact CB-CG2 4.37Å; L214-T247 HydrophobicContact CD1-CG2 4.2Å; L214-T247 HydrophobicContact CD2-CG2 4.05Å; L214-T247 HydrophobicContact CG-CG2 4.43Å; L214-I249 HydrophobicContact CB-CD1 4.38Å; L214-I249 HydrophobicContact CD1-CD1 4.07Å; L214-I249 HydrophobicContact CD1-CG1 4.09Å |
| 215 | N | 90.2 | Very high | 69.6 | Low | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -105.5 | -5.3 | -176.1 | -75.7 | -11.6 | 0 | 0 | 0 | 113.4 | Q44 F53 Y60 W72 S200 G201 W202 N213 | Q44-N215 PolarHBondContact NE2-OD1 2.89Å; F53-N215 WeakPolarHBondContact CB-O 2.99Å; F53-N215 HydrophobicContact CD1-CB 4.16Å; Y60-N215 WeakPolarHBondContact CE1-ND2 3.38Å; Y60-N215 WeakPolarHBondContact OH-CB 3.39Å; W72-N215 WeakPolarHBondContact CZ3-ND2 3.14Å; S200-N215 VanDerWaalsContact CB-C 3.46Å; S200-N215 WeakPolarHBondContact CB-O 3.21Å; G201-N215 VanDerWaalsContact O-CB 3.31Å; G201-N215 WeakPolarHBondContact O-CB 3.42Å; G201-N215 PolarHBondContact O-ND2 2.99Å; W202-N215 HydrophobicContact CE3-CB 4.08Å; W202-N215 HydrophobicContact CZ3-CB 4.45Å; N213-N215 VanDerWaalsContact C-N 3.3Å; N213-N215 WeakPolarHBondContact OD1-CA 3.17Å; N213-N215 WeakPolarHBondContact OD1-CB 3.48Å; N213-N215 PolarHBondContact OD1-N 3.11Å |
| 216 | V | 84.5 | Confident | 68 | Low | 4 Ų | 4 | 61.2 Ų | 61.2 | 2% | 0.024 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -54.8 | 147 | 174.1 | -129.5 | 0 | 0 | 0 | 0 | 110.2 | R46 F198 N213 G229 | R46-V216 PolarHBondContact NH1-O 2.91Å; R46-V216 PolarHBondContact NH2-O 3.32Å; F198-V216 HydrophobicContact CB-CG1 4.2Å; F198-V216 VanDerWaalsContact O-CG1 3.25Å; F198-V216 WeakPolarHBondContact O-CG1 3.16Å; N213-V216 HydrophobicContact CB-CG2 3.82Å; N213-V216 WeakPolarHBondContact O-CG2 3.35Å; N213-V216 PolarHBondContact OD1-N 3.34Å; V216-G229 WeakPolarHBondContact CG2-O 3.29Å |
| 217 | P | 80.1 | Confident | 66.7 | Low | 26 Ų | 26 | 56.5 Ų | 56.5 | 17% | 0.169 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 142.9 | 172.9 | -28.2 | 36.9 | 0 | 0 | 0 | 112.1 | Q54 F198 R199 R219 | Q54-P217 HydrophobicContact CB-CG 4.47Å; F198-P217 WeakPolarHBondContact O-CD 3.36Å; R199-P217 HydrophobicContact CB-CG 4.25Å; P217-R219 PolarHBondContact O-N 3.31Å |
| 218 | F | 72.6 | Confident | 65.8 | Low | 49 Ų | 49 | 53.3 Ų | 53.3 | 22% | 0.215 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -58.6 | 132 | 170.7 | -87.7 | -94.8 | 0 | 0 | 0 | 109.9 | R46 G49 E70 I230 V245 | R46-F218 HydrophobicContact CB-CE2 3.95Å; R46-F218 HydrophobicContact CB-CZ 4.05Å; G49-F218 VanDerWaalsContact N-CE2 3.31Å; E70-F218 WeakPolarHBondContact OE1-CE2 3.22Å; F218-I230 HydrophobicContact CD1-CD1 4.41Å; F218-I230 HydrophobicContact CD2-CD1 3.97Å; F218-I230 HydrophobicContact CE1-CD1 3.94Å; F218-I230 HydrophobicContact CE2-CD1 3.46Å; F218-I230 VanDerWaalsContact CE2-CD1 3.46Å; F218-I230 HydrophobicContact CE2-CG1 4.49Å; F218-I230 HydrophobicContact CG-CD1 4.44Å; F218-I230 HydrophobicContact CZ-CD1 3.44Å; F218-I230 VanDerWaalsContact CZ-CD1 3.44Å; F218-V245 HydrophobicContact CE1-CB 4.47Å; F218-V245 WeakPolarHBondContact CE1-O 3.2Å; F218-V245 WeakPolarHBondContact CZ-O 3.37Å |
| 219 | R | 67 | Low | 65.3 | Low | 58 Ų | 58 | 52.4 Ų | 52.4 | 22% | 0.219 | 30% | 0.296 | C | S | . | . | trans | -135.2 | 94 | 172.1 | -67.4 | -171.1 | -179.3 | -168.9 | 3.6 | 107.9 | P217 V221 L227 | P217-R219 PolarHBondContact O-N 3.31Å; R219-V221 PolarHBondContact O-N 3.26Å; R219-L227 WeakPolarHBondContact CD-O 3.37Å; R219-L227 VanDerWaalsContact NH1-CB 3.3Å | ||
| 220 | P | 52.6 | Low | 65.6 | Low | 133 Ų | 133 | 50.3 Ų | 50.3 | 86% | 0.864 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -59.7 | -26.3 | 178.4 | -16.2 | 25.7 | 0 | 0 | 0 | 112.3 | ||
| 221 | V | 52.3 | Low | 65.9 | Low | 109 Ų | 109 | 49 Ų | 49 | 66% | 0.661 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -120.5 | 116 | 175.9 | -173.1 | 0 | 0 | 0 | 0 | 108.5 | R219 K223 | R219-V221 PolarHBondContact O-N 3.26Å; V221-K223 PolarHBondContact O-N 3.09Å; V221-K223 VanDerWaalsContact O-N 3.12Å |
| 222 | A | 51.6 | Low | 66.3 | Low | 56 Ų | 56 | 48.7 Ų | 48.7 | 46% | 0.463 | 27% | 0.265 | S | S | . | . | trans | -67.7 | 107.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | S224 K228 | A222-S224 VanDerWaalsContact C-N 3.31Å; A222-K228 HydrophobicContact CB-CB 4.22Å; A222-K228 HydrophobicContact CB-CG 3.92Å | ||
| 223 | K | 51.3 | Low | 65.8 | Low | 187 Ų | 187 | 50.8 Ų | 50.8 | 81% | 0.813 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -82.3 | -6.8 | 174.7 | -66.9 | -168 | 176.4 | -172 | 0 | 113.7 | V221 | V221-K223 PolarHBondContact O-N 3.09Å; V221-K223 VanDerWaalsContact O-N 3.12Å |
| 224 | S | 52.9 | Low | 64.3 | Low | 38 Ų | 38 | 52 Ų | 52 | 27% | 0.266 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -155.5 | 147.3 | -177 | 165.6 | 0 | 0 | 0 | 0 | 110.2 | A222 H226 L227 | A222-S224 VanDerWaalsContact C-N 3.31Å; S224-H226 PolarHBondContact O-N 3.14Å; S224-H226 VanDerWaalsContact O-N 3.16Å; S224-H226 PolarHBondContact OG-N 3.25Å; S224-L227 PolarHBondContact O-N 3.08Å |
| 225 | P | 52.2 | Low | 62.3 | Low | 103 Ų | 103 | 56.4 Ų | 56.4 | 67% | 0.669 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -32.2 | 175.6 | -22.3 | 30.3 | 0 | 0 | 0 | 113.4 | K228 | P225-K228 WeakPolarHBondContact O-CE 3.28Š|
| 226 | H | 49.9 | Very low | 60.4 | Low | 115 Ų | 115 | 59.3 Ų | 59.3 | 53% | 0.532 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -16.2 | -175.1 | -56.1 | -64.6 | 0 | 0 | 0 | 113.7 | S224 Q231 | S224-H226 PolarHBondContact O-N 3.14Å; S224-H226 VanDerWaalsContact O-N 3.16Å; S224-H226 PolarHBondContact OG-N 3.25Å; H226-Q231 PolarHBondContact O-NE2 3.39Å |
| 227 | L | 52.3 | Low | 58.5 | Low | 24 Ų | 24 | 66.9 Ų | 66.9 | 13% | 0.126 | 37% | 0.371 | C | S | . | . | trans | -123.1 | 62 | -172.2 | -60.7 | 170.4 | 0 | 0 | 0 | 110.7 | F198 R219 S224 G229 | F198-L227 HydrophobicContact CD1-CD2 3.96Å; F198-L227 HydrophobicContact CE1-CD2 4.41Å; R219-L227 WeakPolarHBondContact CD-O 3.37Å; R219-L227 VanDerWaalsContact NH1-CB 3.3Å; S224-L227 PolarHBondContact O-N 3.08Å; L227-G229 VanDerWaalsContact C-N 3.27Å; L227-G229 PolarHBondContact O-N 3.22Å | ||
| 228 | K | 57.7 | Low | 57.1 | Low | 78 Ų | 78 | 69.9 Ų | 69.9 | 34% | 0.339 | 39% | 0.385 | S | S | . | . | trans | -83.6 | 9.5 | -177.9 | -60 | -170.9 | 178.1 | 179.3 | 0 | 114.4 | A222 P225 T243 | A222-K228 HydrophobicContact CB-CB 4.22Å; A222-K228 HydrophobicContact CB-CG 3.92Å; P225-K228 WeakPolarHBondContact O-CE 3.28Å; K228-T243 WeakPolarHBondContact O-CG2 3.41Å | ||
| 229 | G | 65.4 | Low | 55.9 | Low | 1 Ų | 1 | 70.7 Ų | 70.7 | 1% | 0.01 | 41% | 0.407 | C | S | . | . | S | Bend | trans | 98.4 | -147.7 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V216 L227 Q231 | V216-G229 WeakPolarHBondContact CG2-O 3.29Å; L227-G229 VanDerWaalsContact C-N 3.27Å; L227-G229 PolarHBondContact O-N 3.22Å; G229-Q231 WeakPolarHBondContact O-CG 3.38Å; G229-Q231 PolarHBondContact O-N 3Å |
| 230 | I | 72.7 | Confident | 54.9 | Low | 2 Ų | 2 | 74.8 Ų | 74.8 | 1% | 0.01 | 43% | 0.426 | C | S | . | . | B | Isolated β-bridge | trans | -66.1 | 123.7 | 176.9 | -61 | 177 | 0 | 0 | 0 | 108.1 | R46 L214 F218 V244 T247 | R46-I230 HydrophobicContact CB-CD1 3.73Å; R46-I230 HydrophobicContact CG-CD1 3.85Å; L214-I230 HydrophobicContact CB-CG2 4.33Å; L214-I230 HydrophobicContact CD2-CG2 3.75Å; F218-I230 HydrophobicContact CD1-CD1 4.41Å; F218-I230 HydrophobicContact CD2-CD1 3.97Å; F218-I230 HydrophobicContact CE1-CD1 3.94Å; F218-I230 HydrophobicContact CE2-CD1 3.46Å; F218-I230 VanDerWaalsContact CE2-CD1 3.46Å; F218-I230 HydrophobicContact CE2-CG1 4.49Å; F218-I230 HydrophobicContact CG-CD1 4.44Å; F218-I230 HydrophobicContact CZ-CD1 3.44Å; F218-I230 VanDerWaalsContact CZ-CD1 3.44Å; I230-V244 HydrophobicContact CB-CB 4.12Å; I230-V244 WeakPolarHBondContact CB-O 3.19Å; I230-V244 HydrophobicContact CG2-CB 3.67Å; I230-V244 HydrophobicContact CG2-CG1 3.78Å; I230-V244 PolarHBondContact O-N 3.07Å; I230-T247 HydrophobicContact CG2-CG2 3.96Å |
| 231 | Q | 70.1 | Confident | 55 | Low | 31 Ų | 31 | 71.3 Ų | 71.3 | 15% | 0.145 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 130.6 | -171.6 | -77.3 | 170.3 | -5.1 | 0 | 0 | 110.4 | G212 N213 H226 G229 | G212-Q231 CarbonylContact C-O 3.56Å; G212-Q231 WeakPolarHBondContact CA-O 3.13Å; N213-Q231 CarbonylContact C-O 3.57Å; N213-Q231 PolarHBondContact N-O 2.92Å; N213-Q231 PolarHBondContact O-N 2.83Å; H226-Q231 PolarHBondContact O-NE2 3.39Å; G229-Q231 WeakPolarHBondContact O-CG 3.38Å; G229-Q231 PolarHBondContact O-N 3Å |
| 232 | W | 71.4 | Confident | 55.4 | Low | 7 Ų | 7 | 66.5 Ų | 66.5 | 3% | 0.027 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 143.4 | 155.2 | -170.5 | -87.2 | 0 | 0 | 0 | 104 | I130 M132 V142 V168 S170 L171 L214 I234 V244 | I130-W232 HydrophobicContact CD1-CH2 3.65Å; I130-W232 HydrophobicContact CD1-CZ3 3.79Å; M132-W232 HydrophobicContact CE-CD2 3.77Å; M132-W232 HydrophobicContact CE-CE3 4.47Å; M132-W232 HydrophobicContact CE-CG 3.81Å; M132-W232 HydrophobicContact CE-CZ2 4.38Å; M132-W232 HydrophobicContact SD-CB 3.55Å; M132-W232 VanDerWaalsContact SD-CB 3.55Å; M132-W232 HydrophobicContact SD-CD2 3.5Å; M132-W232 HydrophobicContact SD-CE3 3.88Å; M132-W232 HydrophobicContact SD-CG 3.4Å; V142-W232 HydrophobicContact CB-CZ2 4.05Å; V142-W232 HydrophobicContact CG1-CZ2 4.06Å; V142-W232 HydrophobicContact CG2-CZ2 3.76Å; V168-W232 PolarHBondContact O-NE1 3.28Å; V168-W232 VanDerWaalsContact O-NE1 3.11Å; S170-W232 VanDerWaalsContact CB-CD2 3.5Å; S170-W232 PolarHBondContact OG-NE1 2.82Å; L171-W232 HydrophobicContact CB-CH2 3.81Å; L171-W232 HydrophobicContact CB-CZ3 4.25Å; L214-W232 HydrophobicContact CD1-CE3 4.23Å; L214-W232 HydrophobicContact CD1-CZ3 4.32Å; L214-W232 HydrophobicContact CD2-CB 4.32Å; L214-W232 HydrophobicContact CD2-CE3 4Å; L214-W232 HydrophobicContact CG-CE3 4.24Å; W232-I234 HydrophobicContact CB-CD1 4.13Å; W232-I234 HydrophobicContact CB-CG1 3.79Å; W232-I234 VanDerWaalsContact CD1-CG1 3.49Å; W232-I234 HydrophobicContact CG-CG1 3.96Å; W232-I234 PolarHBondContact O-N 3.33Å; W232-V244 HydrophobicContact CB-CG2 4.18Å |
| 233 | A | 63 | Low | 56.3 | Low | 46 Ų | 46 | 65.6 Ų | 65.6 | 38% | 0.38 | 37% | 0.37 | S | S | . | . | trans | -69.5 | 61.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | V168 S170 G211 S235 | V168-A233 HydrophobicContact CG1-CB 4.31Å; V168-A233 VanDerWaalsContact CG1-O 3.26Å; V168-A233 WeakPolarHBondContact CG1-O 3.44Å; S170-A233 WeakPolarHBondContact OG-CB 3.4Å; S170-A233 PolarHBondContact OG-N 2.71Å; S170-A233 VanDerWaalsContact OG-N 3.13Å; G211-A233 PolarHBondContact O-N 2.74Å; A233-S235 PolarHBondContact O-N 2.89Å; A233-S235 VanDerWaalsContact O-N 3.14Å | ||
| 234 | I | 51.8 | Low | 57.8 | Low | 25 Ų | 25 | 56.7 Ų | 56.7 | 13% | 0.128 | 33% | 0.332 | C | S | . | . | trans | -78.4 | 98.1 | 170.5 | -51.1 | 173 | 0 | 0 | 0 | 104.2 | M132 W232 R236 V244 | M132-I234 HydrophobicContact SD-CD1 4.29Å; W232-I234 HydrophobicContact CB-CD1 4.13Å; W232-I234 HydrophobicContact CB-CG1 3.79Å; W232-I234 VanDerWaalsContact CD1-CG1 3.49Å; W232-I234 HydrophobicContact CG-CG1 3.96Å; W232-I234 PolarHBondContact O-N 3.33Å; I234-R236 PolarHBondContact O-N 2.79Å; I234-V244 HydrophobicContact CD1-CG2 3.56Å | ||
| 235 | S | 47.1 | Very low | 59.3 | Low | 93 Ų | 93 | 57 Ų | 57 | 65% | 0.65 | 33% | 0.332 | S | S | * | . | B | Isolated β-bridge | trans | -63.1 | 113 | 156.9 | -67.1 | 0 | 0 | 0 | 0 | 106.6 | A233 | A233-S235 PolarHBondContact O-N 2.89Å; A233-S235 VanDerWaalsContact O-N 3.14Å |
| 236 | R | 51 | Low | 61.1 | Low | 61 Ų | 61 | 56.3 Ų | 56.3 | 23% | 0.23 | 32% | 0.32 | C | S | . | . | trans | -72 | 159.9 | 164.1 | -61.8 | 170.5 | 75.4 | 70 | 9.1 | 108.4 | D136 I234 D238 G239 K240 | D136-R236 VanDerWaalsContact CB-NH2 3.26Å; D136-R236 IonicContact OD1-NH1 2.65Å; D136-R236 PolarHBondContact OD1-NH1 3.36Å; D136-R236 IonicContact OD2-CZ 2.81Å; D136-R236 IonicContact OD2-NH1 3.08Å; D136-R236 PolarHBondContact OD2-NH1 3.06Å; D136-R236 IonicContact OD2-NH2 3.41Å; D136-R236 PolarHBondContact OD2-NH2 2.82Å; I234-R236 PolarHBondContact O-N 2.79Å; R236-D238 WeakPolarHBondContact CB-OD1 3.15Å; R236-D238 IonicContact NE-OD1 2.81Å; R236-D238 IonicContact NE-OD2 2.81Å; R236-D238 PolarHBondContact O-N 3.2Å; R236-D238 VanDerWaalsContact O-N 3.08Å; R236-G239 WeakPolarHBondContact O-CA 3.39Å; R236-G239 PolarHBondContact O-N 3.37Å; R236-K240 VanDerWaalsContact CB-O 3.27Å; R236-K240 WeakPolarHBondContact CB-O 3.44Å; R236-K240 VanDerWaalsContact CD-O 3.25Å; R236-K240 WeakPolarHBondContact CD-O 3.3Å; R236-K240 WeakPolarHBondContact CG-O 3.42Å; R236-K240 PolarHBondContact N-O 3.44Å | ||
| 237 | D | 44.2 | Very low | 63.1 | Low | 162 Ų | 162 | 51 Ų | 51 | 87% | 0.866 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -24.7 | 175.9 | -62.1 | -30.8 | 0 | 0 | 0 | 112.7 | G239 | D237-G239 PolarHBondContact O-N 3.25Š|
| 238 | D | 50.5 | Low | 65.2 | Low | 90 Ų | 90 | 52.2 Ų | 52.2 | 48% | 0.481 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 5.5 | 175.4 | 71.6 | -2.6 | 0 | 0 | 0 | 114.1 | R236 K240 | R236-D238 WeakPolarHBondContact CB-OD1 3.15Å; R236-D238 IonicContact NE-OD1 2.81Å; R236-D238 IonicContact NE-OD2 2.81Å; R236-D238 PolarHBondContact O-N 3.2Å; R236-D238 VanDerWaalsContact O-N 3.08Å; D238-K240 PolarHBondContact O-N 3.18Å; D238-K240 VanDerWaalsContact OD1-CB 3.31Å; D238-K240 WeakPolarHBondContact OD1-CB 3.26Å; D238-K240 PolarHBondContact OD1-N 2.76Å |
| 239 | G | 46.7 | Very low | 67.1 | Low | 65 Ų | 65 | 48.8 Ų | 48.8 | 67% | 0.67 | 29% | 0.285 | S | S | * | . | S | Bend | trans | 71.9 | 1.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | R236 D237 | R236-G239 WeakPolarHBondContact O-CA 3.39Å; R236-G239 PolarHBondContact O-N 3.37Å; D237-G239 PolarHBondContact O-N 3.25Å |
| 240 | K | 47.1 | Very low | 68.6 | Low | 144 Ų | 144 | 48.7 Ų | 48.7 | 63% | 0.626 | 28% | 0.284 | S | S | * | . | trans | -89.9 | 145.2 | 178.8 | -63 | 178.4 | -176.8 | 167.9 | 0 | 110.7 | R236 D238 G242 | R236-K240 VanDerWaalsContact CB-O 3.27Å; R236-K240 WeakPolarHBondContact CB-O 3.44Å; R236-K240 VanDerWaalsContact CD-O 3.25Å; R236-K240 WeakPolarHBondContact CD-O 3.3Å; R236-K240 WeakPolarHBondContact CG-O 3.42Å; R236-K240 PolarHBondContact N-O 3.44Å; D238-K240 PolarHBondContact O-N 3.18Å; D238-K240 VanDerWaalsContact OD1-CB 3.31Å; D238-K240 WeakPolarHBondContact OD1-CB 3.26Å; D238-K240 PolarHBondContact OD1-N 2.76Å; K240-G242 PolarHBondContact O-N 2.91Å | ||
| 241 | A | 54.9 | Low | 69.7 | Low | 60 Ų | 60 | 48.6 Ų | 48.6 | 50% | 0.496 | 28% | 0.284 | S | S | . | . | B | Isolated β-bridge | trans | -68.6 | 113.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 242 | G | 60.3 | Low | 70.9 | Confident | 9 Ų | 9 | 49.6 Ų | 49.6 | 9% | 0.093 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 144 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | K240 | K240-G242 PolarHBondContact O-N 2.91Š|
| 243 | T | 70.5 | Confident | 71.9 | Confident | 36 Ų | 36 | 53.3 Ų | 53.3 | 22% | 0.221 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -89.1 | 119.2 | 171.9 | -56.2 | 0 | 0 | 0 | 0 | 107.9 | N135 K228 V245 | N135-T243 PolarHBondContact N-O 2.87Å; K228-T243 WeakPolarHBondContact O-CG2 3.41Å; T243-V245 PolarHBondContact O-N 3.07Å |
| 244 | V | 81.6 | Confident | 73.2 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 130.6 | 175.2 | -178.8 | 0 | 0 | 0 | 0 | 108.3 | M132 I230 W232 I234 Q246 T247 | M132-V244 HydrophobicContact CB-CG1 4.02Å; M132-V244 HydrophobicContact CG-CG1 4.23Å; I230-V244 HydrophobicContact CB-CB 4.12Å; I230-V244 WeakPolarHBondContact CB-O 3.19Å; I230-V244 HydrophobicContact CG2-CB 3.67Å; I230-V244 HydrophobicContact CG2-CG1 3.78Å; I230-V244 PolarHBondContact O-N 3.07Å; W232-V244 HydrophobicContact CB-CG2 4.18Å; I234-V244 HydrophobicContact CD1-CG2 3.56Å; V244-Q246 WeakPolarHBondContact CG1-O 3.11Å; V244-T247 HydrophobicContact CG1-CG2 3.3Å |
| 245 | V | 84.5 | Confident | 74.3 | Confident | 44 Ų | 44 | 58.4 Ų | 58.4 | 27% | 0.267 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | -20.1 | -177.9 | -64.1 | 0 | 0 | 0 | 0 | 112.9 | Q47 V133 G134 N135 F218 T243 | Q47-V245 CarbonylContact C-O 3.25Å; V133-V245 WeakPolarHBondContact O-CG2 3.39Å; V133-V245 PolarHBondContact O-N 2.74Å; G134-V245 WeakPolarHBondContact O-CG2 3.11Å; N135-V245 HydrophobicContact CB-CG1 3.84Å; F218-V245 HydrophobicContact CE1-CB 4.47Å; F218-V245 WeakPolarHBondContact CE1-O 3.2Å; F218-V245 WeakPolarHBondContact CZ-O 3.37Å; T243-V245 PolarHBondContact O-N 3.07Å |
| 246 | Q | 90.4 | Very high | 75.7 | Confident | 89 Ų | 89 | 56.6 Ų | 56.6 | 42% | 0.416 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 142 | 170.8 | -46.7 | -173.2 | -44.1 | 0 | 0 | 109.9 | R46 Q47 M132 V133 V244 | R46-Q246 CarbonylContact O-C 3.52Å; R46-Q246 VanDerWaalsContact O-CA 3.26Å; R46-Q246 WeakPolarHBondContact O-CA 3.36Å; Q47-Q246 HydrophobicContact CB-CG 4.48Å; M132-Q246 CarbonylContact C-O 3.5Å; M132-Q246 WeakPolarHBondContact CA-O 3.18Å; V133-Q246 HydrophobicContact CB-CB 3.99Å; V133-Q246 HydrophobicContact CB-CG 4.29Å; V133-Q246 HydrophobicContact CG2-CB 4.14Å; V133-Q246 PolarHBondContact N-O 2.89Å; V133-Q246 PolarHBondContact O-N 2.89Å; V244-Q246 WeakPolarHBondContact CG1-O 3.11Å |
| 247 | T | 93.1 | Very high | 77.1 | Confident | 4 Ų | 4 | 56.3 Ų | 56.3 | 3% | 0.025 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 146.5 | 173.5 | 66.8 | 0 | 0 | 0 | 0 | 111.7 | Q44 R45 R46 Q131 M132 L214 I230 V244 | Q44-T247 PolarHBondContact NE2-OG1 3.16Å; Q44-T247 PolarHBondContact OE1-OG1 3.12Å; R45-T247 CarbonylContact C-O 3.22Å; R45-T247 VanDerWaalsContact CA-O 3.27Å; R45-T247 WeakPolarHBondContact CA-O 2.99Å; R46-T247 WeakPolarHBondContact CB-OG1 3.09Å; R46-T247 WeakPolarHBondContact CG-OG1 3.23Å; R46-T247 PolarHBondContact N-O 3.05Å; R46-T247 PolarHBondContact O-N 2.85Å; Q131-T247 CarbonylContact O-C 3.25Å; Q131-T247 VanDerWaalsContact O-CA 3.22Å; Q131-T247 WeakPolarHBondContact O-CA 3.48Å; M132-T247 HydrophobicContact CG-CG2 4.09Å; L214-T247 HydrophobicContact CB-CG2 4.37Å; L214-T247 HydrophobicContact CD1-CG2 4.2Å; L214-T247 HydrophobicContact CD2-CG2 4.05Å; L214-T247 HydrophobicContact CG-CG2 4.43Å; I230-T247 HydrophobicContact CG2-CG2 3.96Å; V244-T247 HydrophobicContact CG1-CG2 3.3Å |
| 248 | K | 95.7 | Very high | 79 | Confident | 50 Ų | 50 | 50.1 Ų | 50.1 | 22% | 0.217 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 124.8 | 161.7 | -73.7 | -173.4 | -76.1 | 168.4 | 0 | 108.3 | D32 Q44 R45 I130 Q131 M250 | D32-K248 IonicContact OD2-NZ 2.79Å; D32-K248 PolarHBondContact OD2-NZ 3.06Å; Q44-K248 WeakPolarHBondContact O-CA 3.47Å; R45-K248 HydrophobicContact CB-CG 4.48Å; R45-K248 HydrophobicContact CG-CG 3.96Å; I130-K248 WeakPolarHBondContact CA-O 3.48Å; Q131-K248 HydrophobicContact CB-CB 4.48Å; Q131-K248 PolarHBondContact N-O 3.1Å; Q131-K248 PolarHBondContact O-N 3.11Å; Q131-K248 VanDerWaalsContact OE1-CE 3.27Å; K248-M250 HydrophobicContact CB-CE 4.31Å; K248-M250 HydrophobicContact CB-CG 4.05Å; K248-M250 HydrophobicContact CB-SD 4.07Å; K248-M250 HydrophobicContact CD-SD 4.26Å |
| 249 | I | 96.5 | Very high | 80.8 | Confident | 5 Ų | 5 | 47.6 Ų | 47.6 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 125.4 | 167.2 | -51.4 | 178.6 | 0 | 0 | 0 | 106.7 | I43 Q44 L128 I130 W202 L214 | I43-I249 HydrophobicContact CD1-CB 4.47Å; I43-I249 HydrophobicContact CD1-CG2 3.74Å; I43-I249 HydrophobicContact CG1-CB 3.94Å; I43-I249 HydrophobicContact CG1-CG2 3.71Å; I43-I249 WeakPolarHBondContact CG1-O 3.06Å; I43-I249 PolarHBondContact N-O 3.19Å; Q44-I249 HydrophobicContact CB-CB 3.93Å; Q44-I249 HydrophobicContact CB-CD1 3.96Å; Q44-I249 HydrophobicContact CB-CG1 4.01Å; Q44-I249 HydrophobicContact CG-CD1 4.25Å; Q44-I249 PolarHBondContact N-O 2.67Å; Q44-I249 PolarHBondContact O-N 2.65Å; L128-I249 HydrophobicContact CD1-CG2 3.52Å; L128-I249 HydrophobicContact CG-CG2 4.46Å; I130-I249 HydrophobicContact CG1-CG2 4.3Å; W202-I249 HydrophobicContact CH2-CD1 4.17Å; W202-I249 HydrophobicContact CZ3-CD1 4.26Å; L214-I249 HydrophobicContact CB-CD1 4.38Å; L214-I249 HydrophobicContact CD1-CD1 4.07Å; L214-I249 HydrophobicContact CD1-CG1 4.09Å |
| 250 | M | 97.2 | Very high | 83.1 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 147 | -171.1 | -46.7 | -177.8 | -78.3 | 0 | 0 | 111.1 | D32 T35 W40 T41 V42 L128 L129 Q131 K248 | D32-M250 HydrophobicContact CB-SD 3.8Å; T35-M250 HydrophobicContact CG2-CE 4.32Å; W40-M250 HydrophobicContact CB-CB 4.06Å; W40-M250 HydrophobicContact CB-SD 4.18Å; W40-M250 HydrophobicContact CD2-CB 4.47Å; W40-M250 HydrophobicContact CE3-CB 4.02Å; T41-M250 CarbonylContact O-C 3.54Å; T41-M250 VanDerWaalsContact O-CA 3.26Å; T41-M250 WeakPolarHBondContact O-CA 3.45Å; V42-M250 HydrophobicContact CB-CG 4.24Å; V42-M250 HydrophobicContact CG1-CG 4.22Å; V42-M250 HydrophobicContact CG2-CG 3.86Å; V42-M250 HydrophobicContact CG2-SD 3.76Å; L128-M250 WeakPolarHBondContact CA-O 3.24Å; L129-M250 HydrophobicContact CB-CE 4.47Å; L129-M250 HydrophobicContact CD2-CE 3.92Å; L129-M250 HydrophobicContact CG-CE 4.4Å; L129-M250 PolarHBondContact N-O 2.96Å; L129-M250 PolarHBondContact O-N 3.21Å; Q131-M250 HydrophobicContact CG-CE 4.05Å; K248-M250 HydrophobicContact CB-CE 4.31Å; K248-M250 HydrophobicContact CB-CG 4.05Å; K248-M250 HydrophobicContact CB-SD 4.07Å; K248-M250 HydrophobicContact CD-SD 4.26Å |
| 251 | I | 96.8 | Very high | 85.7 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 147 | 177.8 | 63.5 | 177 | 0 | 0 | 0 | 110.6 | T41 I43 T119 Y126 E127 L128 F147 | T41-I251 PolarHBondContact N-O 2.94Å; T41-I251 PolarHBondContact O-N 3.46Å; I43-I251 HydrophobicContact CD1-CG2 4.2Å; I43-I251 HydrophobicContact CG2-CD1 3.97Å; I43-I251 HydrophobicContact CG2-CG1 3.95Å; I43-I251 HydrophobicContact CG2-CG2 4.46Å; T119-I251 HydrophobicContact CG2-CD1 3.87Å; Y126-I251 HydrophobicContact CD1-CB 4.12Å; Y126-I251 HydrophobicContact CD1-CD1 4.05Å; Y126-I251 HydrophobicContact CD1-CG1 4.12Å; Y126-I251 HydrophobicContact CE1-CD1 4.34Å; E127-I251 VanDerWaalsContact O-CA 3.27Å; E127-I251 WeakPolarHBondContact O-CA 2.92Å; L128-I251 HydrophobicContact CD1-CG2 3.83Å; F147-I251 HydrophobicContact CD1-CG2 3.49Å; F147-I251 VanDerWaalsContact CD1-CG2 3.49Å; F147-I251 HydrophobicContact CE1-CG2 3.66Å; F147-I251 HydrophobicContact CG-CG2 4.36Å |
| 252 | R | 94.7 | Very high | 88 | Confident | 52 Ų | 52 | 37.9 Ų | 37.9 | 20% | 0.196 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 140.7 | 174.4 | -177.4 | 169.5 | 69 | 176.2 | 3.8 | 109.6 | Q36 G38 G39 W40 Y126 E127 | Q36-R252 PolarHBondContact O-NH1 2.95Å; G38-R252 VanDerWaalsContact O-CD 3.28Å; G38-R252 WeakPolarHBondContact O-CD 3.26Å; G38-R252 PolarHBondContact O-NH1 3.3Å; G39-R252 WeakPolarHBondContact O-CG 3.36Å; W40-R252 HydrophobicContact CD2-CB 3.86Å; W40-R252 HydrophobicContact CE3-CB 3.4Å; W40-R252 VanDerWaalsContact CE3-CB 3.4Å; W40-R252 HydrophobicContact CH2-CB 4.02Å; W40-R252 HydrophobicContact CZ2-CB 4.45Å; W40-R252 HydrophobicContact CZ3-CB 3.48Å; W40-R252 VanDerWaalsContact CZ3-CB 3.48Å; Y126-R252 CarbonylContact C-O 3.55Å; Y126-R252 WeakPolarHBondContact CA-O 3.48Å; E127-R252 HydrophobicContact CG-CB 4.13Å; E127-R252 WeakPolarHBondContact CG-O 3.28Å; E127-R252 PolarHBondContact N-O 3.14Å; E127-R252 PolarHBondContact O-N 2.01Å; E127-R252 VanDerWaalsContact O-N 3.12Å; E127-R252 IonicContact OE1-CZ 2.8Å; E127-R252 IonicContact OE1-NE 3.21Å; E127-R252 PolarHBondContact OE1-NE 3.5Å; E127-R252 IonicContact OE1-NH2 2.71Å; E127-R252 PolarHBondContact OE1-NH2 2.99Å |
| 253 | Q | 92.8 | Very high | 90.3 | Very high | 84 Ų | 84 | 40.3 Ų | 40.3 | 39% | 0.393 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 132.5 | 173.2 | -178.6 | -176.6 | -18.2 | 0 | 0 | 109.3 | R124 T125 Y126 | R124-Q253 HydrophobicContact CB-CG 4.4Å; T125-Q253 WeakPolarHBondContact O-CA 3.33Å; Y126-Q253 HydrophobicContact CD1-CB 4.36Å; Y126-Q253 HydrophobicContact CE1-CB 4.03Å |
| 254 | V | 90.3 | Very high | 92.1 | Very high | 120 Ų | 120 | 40.7 Ų | 40.7 | 73% | 0.727 | 21% | 0.206 | S | C | * | . | trans | -99 | 0 | 171.1 | -114.4 | 0 | 0 | 0 | 0 | 110.8 | T125 E127 | T125-V254 HydrophobicContact CG2-CG2 4.05Å; T125-V254 PolarHBondContact O-N 3.16Å; E127-V254 HydrophobicContact CB-CG2 4.08Å; E127-V254 HydrophobicContact CG-CG1 4.33Å; E127-V254 HydrophobicContact CG-CG2 4.17Å |
Retrieved 254 of 254 residues in 128.8 ms
(Link to these results)