| 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 | 53.5 | Low | 78.3 | Confident | 239 Ų | 239 | 122.1 Ų | 122.1 | 100% | 1.177 | 63% | 0.629 | S | S | * | * | 0 | 111.4 | 0 | -168.4 | 168.1 | -173.5 | 0 | 0 | 106.8 | |||||
| 2 | F | 64.6 | Low | 79.2 | Confident | 178 Ų | 178 | 124.8 Ų | 124.8 | 78% | 0.781 | 63% | 0.632 | S | S | * | * | trans | -67.1 | 139.4 | 176.8 | -61.5 | -78.9 | 0 | 0 | 0 | 108.9 | V7 | F2-V7 HydrophobicContact CB-CG2 4.14Š| ||
| 3 | R | 70.3 | Confident | 80.2 | Confident | 182 Ų | 182 | 124.3 Ų | 124.3 | 69% | 0.687 | 62% | 0.623 | S | S | * | * | trans | -68.9 | 141.1 | 174.3 | -67.6 | 178.2 | 169.8 | 177.9 | -2.7 | 108 | E5 D6 V7 | R3-E5 PolarHBondContact O-N 2.81Å; R3-D6 WeakPolarHBondContact CB-OD2 3.36Å; R3-D6 PolarHBondContact N-OD2 3.11Å; R3-D6 WeakPolarHBondContact O-CB 3.34Å; R3-D6 PolarHBondContact O-N 3.3Å; R3-V7 PolarHBondContact O-N 3.49Å | ||
| 4 | T | 73.8 | Confident | 80.8 | Confident | 116 Ų | 116 | 123.2 Ų | 123.2 | 71% | 0.712 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -55.5 | -36.5 | -180 | -37.5 | 0 | 0 | 0 | 0 | 111.5 | D6 V7 T8 | T4-D6 PolarHBondContact O-N 3Å; T4-V7 PolarHBondContact O-N 3.04Å; T4-T8 WeakPolarHBondContact O-CG2 3.42Å; T4-T8 PolarHBondContact O-N 3.41Å |
| 5 | E | 73.9 | Confident | 81.3 | Confident | 140 Ų | 140 | 119.5 Ų | 119.5 | 65% | 0.654 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -57 | -45.5 | 175.5 | -65.9 | 177.9 | 153.5 | 0 | 0 | 111.9 | R3 V7 T8 V9 | R3-E5 PolarHBondContact O-N 2.81Å; E5-V7 VanDerWaalsContact C-N 3.31Å; E5-V7 PolarHBondContact O-N 2.86Å; E5-T8 PolarHBondContact O-N 3.06Å; E5-T8 PolarHBondContact O-OG1 2.85Å; E5-V9 WeakPolarHBondContact O-CG2 3.45Å; E5-V9 PolarHBondContact O-N 2.9Å; E5-V9 VanDerWaalsContact O-N 3.09Å |
| 6 | D | 84.7 | Confident | 81.9 | Confident | 94 Ų | 94 | 118.4 Ų | 118.4 | 50% | 0.503 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -60.4 | -42.3 | 179.7 | -60.2 | -34.8 | 0 | 0 | 0 | 111.4 | R3 T4 V9 A10 | R3-D6 WeakPolarHBondContact CB-OD2 3.36Å; R3-D6 PolarHBondContact N-OD2 3.11Å; R3-D6 WeakPolarHBondContact O-CB 3.34Å; R3-D6 PolarHBondContact O-N 3.3Å; T4-D6 PolarHBondContact O-N 3Å; D6-V9 PolarHBondContact O-N 3.46Å; D6-A10 WeakPolarHBondContact O-CB 3.12Å; D6-A10 PolarHBondContact O-N 2.85Å |
| 7 | V | 84 | Confident | 82.4 | Confident | 70 Ų | 70 | 119.3 Ų | 119.3 | 42% | 0.424 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -67.4 | -43 | -180 | -178.5 | 0 | 0 | 0 | 0 | 110.9 | F2 R3 T4 E5 V9 A10 M11 | F2-V7 HydrophobicContact CB-CG2 4.14Å; R3-V7 PolarHBondContact O-N 3.49Å; T4-V7 PolarHBondContact O-N 3.04Å; E5-V7 VanDerWaalsContact C-N 3.31Å; E5-V7 PolarHBondContact O-N 2.86Å; V7-V9 VanDerWaalsContact C-N 3.33Å; V7-V9 PolarHBondContact O-N 2.92Å; V7-A10 PolarHBondContact O-N 3.45Å; V7-M11 HydrophobicContact CG1-CG 4.47Å; V7-M11 HydrophobicContact CG1-SD 4.27Å; V7-M11 WeakPolarHBondContact O-CG 3.49Å; V7-M11 PolarHBondContact O-N 3.03Å |
| 8 | T | 87.9 | Confident | 82.8 | Confident | 65 Ų | 65 | 113.8 Ų | 113.8 | 40% | 0.399 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.6 | -39.5 | 179.5 | 60.7 | 0 | 0 | 0 | 0 | 112.4 | T4 E5 K12 | T4-T8 WeakPolarHBondContact O-CG2 3.42Å; T4-T8 PolarHBondContact O-N 3.41Å; E5-T8 PolarHBondContact O-N 3.06Å; E5-T8 PolarHBondContact O-OG1 2.85Å; T8-K12 WeakPolarHBondContact O-CB 3.35Å; T8-K12 WeakPolarHBondContact O-CG 3.42Å; T8-K12 PolarHBondContact O-N 2.85Å |
| 9 | V | 89.7 | Confident | 83 | Confident | 95 Ų | 95 | 115.2 Ų | 115.2 | 58% | 0.576 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -66.8 | -43.7 | 176.8 | 173.7 | 0 | 0 | 0 | 0 | 110.4 | E5 D6 V7 M11 K12 K13 | E5-V9 WeakPolarHBondContact O-CG2 3.45Å; E5-V9 PolarHBondContact O-N 2.9Å; E5-V9 VanDerWaalsContact O-N 3.09Å; D6-V9 PolarHBondContact O-N 3.46Å; V7-V9 VanDerWaalsContact C-N 3.33Å; V7-V9 PolarHBondContact O-N 2.92Å; V9-M11 PolarHBondContact O-N 2.93Å; V9-K12 PolarHBondContact O-N 3.27Å; V9-K13 WeakPolarHBondContact O-CB 3.44Å; V9-K13 PolarHBondContact O-N 3.16Å |
| 10 | A | 89.5 | Confident | 83.4 | Confident | 59 Ų | 59 | 115.5 Ų | 115.5 | 49% | 0.488 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -59.6 | -45.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D6 V7 K13 K14 | D6-A10 WeakPolarHBondContact O-CB 3.12Å; D6-A10 PolarHBondContact O-N 2.85Å; V7-A10 PolarHBondContact O-N 3.45Å; A10-K13 PolarHBondContact O-N 2.88Å; A10-K14 PolarHBondContact O-N 2.77Å |
| 11 | M | 89.1 | Confident | 83.7 | Confident | 105 Ų | 105 | 117.1 Ų | 117.1 | 52% | 0.517 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.1 | -46.5 | 177.4 | -71.7 | -178.3 | 71.6 | 0 | 0 | 112.4 | V7 V9 K13 K14 H15 | V7-M11 HydrophobicContact CG1-CG 4.47Å; V7-M11 HydrophobicContact CG1-SD 4.27Å; V7-M11 WeakPolarHBondContact O-CG 3.49Å; V7-M11 PolarHBondContact O-N 3.03Å; V9-M11 PolarHBondContact O-N 2.93Å; M11-K13 VanDerWaalsContact C-N 3.28Å; M11-K13 PolarHBondContact O-N 2.91Å; M11-K14 PolarHBondContact O-N 2.83Å; M11-H15 PolarHBondContact O-CD2 2.9Å; M11-H15 PolarHBondContact O-N 3.07Å |
| 12 | K | 90.1 | Very high | 85.2 | Confident | 154 Ų | 154 | 108.7 Ų | 108.7 | 67% | 0.67 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -59.5 | -41.2 | 176.9 | -75.4 | 176.8 | -179.4 | 178.9 | 0 | 111.6 | T8 V9 H15 L16 | T8-K12 WeakPolarHBondContact O-CB 3.35Å; T8-K12 WeakPolarHBondContact O-CG 3.42Å; T8-K12 PolarHBondContact O-N 2.85Å; V9-K12 PolarHBondContact O-N 3.27Å; K12-H15 PolarHBondContact O-N 3.37Å; K12-L16 WeakPolarHBondContact O-CB 3.32Å; K12-L16 PolarHBondContact O-N 3.13Å |
| 13 | K | 91.3 | Very high | 86.1 | Confident | 119 Ų | 119 | 102.1 Ų | 102.1 | 52% | 0.517 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63 | -43.9 | 176.8 | -177.3 | 170 | 177.8 | 175.2 | 0 | 111.3 | V9 A10 M11 L16 Y17 | V9-K13 WeakPolarHBondContact O-CB 3.44Å; V9-K13 PolarHBondContact O-N 3.16Å; A10-K13 PolarHBondContact O-N 2.88Å; M11-K13 VanDerWaalsContact C-N 3.28Å; M11-K13 PolarHBondContact O-N 2.91Å; K13-L16 PolarHBondContact O-N 3.09Å; K13-Y17 HydrophobicContact CD-CE2 4.09Å; K13-Y17 VanDerWaalsContact CE-CE2 3.44Å; K13-Y17 WeakPolarHBondContact CE-OH 3.34Å; K13-Y17 HydrophobicContact CG-CD2 3.92Å; K13-Y17 HydrophobicContact CG-CE2 3.49Å; K13-Y17 VanDerWaalsContact CG-CE2 3.49Å; K13-Y17 WeakPolarHBondContact O-CD2 3.37Å; K13-Y17 PolarHBondContact O-N 3.28Å |
| 14 | K | 88.6 | Confident | 86.6 | Confident | 109 Ų | 109 | 95.5 Ų | 95.5 | 47% | 0.474 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.8 | -53.1 | 174.6 | 179.9 | -178.8 | 174.1 | -178.9 | 0 | 111.8 | A10 M11 L16 Y17 D18 Y26 | A10-K14 PolarHBondContact O-N 2.77Å; M11-K14 PolarHBondContact O-N 2.83Å; K14-L16 PolarHBondContact O-N 3.47Å; K14-Y17 WeakPolarHBondContact O-CB 3.21Å; K14-Y17 PolarHBondContact O-N 3.41Å; K14-D18 PolarHBondContact O-N 2.8Å; K14-Y26 PolarHBondContact NZ-OH 2.97Å |
| 15 | H | 89.3 | Confident | 86.8 | Confident | 67 Ų | 67 | 92.8 Ų | 92.8 | 31% | 0.31 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.1 | -34.4 | -179.2 | -64.9 | -176 | 0 | 0 | 0 | 112.2 | M11 K12 R19 Y26 | M11-H15 PolarHBondContact O-CD2 2.9Å; M11-H15 PolarHBondContact O-N 3.07Å; K12-H15 PolarHBondContact O-N 3.37Å; H15-R19 VanDerWaalsContact O-CB 3.31Å; H15-R19 WeakPolarHBondContact O-CB 3.45Å; H15-R19 PolarHBondContact O-N 2.92Å; H15-Y26 AromaticContact CD2-CD2 3.68Å; H15-Y26 AromaticContact CD2-CE2 3.95Å; H15-Y26 AromaticContact CD2-CG 3.76Å; H15-Y26 AromaticContact CE1-CD1 3.87Å; H15-Y26 AromaticContact CE1-CG 3.9Å; H15-Y26 AromaticContact NE2-CD1 3.56Å; H15-Y26 AromaticContact NE2-CE1 3.78Å; H15-Y26 AromaticContact NE2-CG 3.68Å |
| 16 | L | 89.7 | Confident | 87.2 | Confident | 103 Ų | 103 | 90.7 Ų | 90.7 | 54% | 0.539 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.1 | -44.2 | 173.8 | 179.5 | 62.4 | 0 | 0 | 0 | 111.7 | K12 K13 K14 I20 | K12-L16 WeakPolarHBondContact O-CB 3.32Å; K12-L16 PolarHBondContact O-N 3.13Å; K13-L16 PolarHBondContact O-N 3.09Å; K14-L16 PolarHBondContact O-N 3.47Å; L16-I20 HydrophobicContact CD1-CD1 4.12Å; L16-I20 HydrophobicContact CD1-CG1 4.45Å; L16-I20 HydrophobicContact CG-CD1 3.97Å; L16-I20 WeakPolarHBondContact O-CD1 3.3Å; L16-I20 VanDerWaalsContact O-CG1 3.23Å; L16-I20 WeakPolarHBondContact O-CG1 3.37Å; L16-I20 PolarHBondContact O-N 3.21Å |
| 17 | Y | 91.5 | Very high | 87 | Confident | 133 Ų | 133 | 89.1 Ų | 89.1 | 52% | 0.522 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.9 | -47.3 | 175.3 | -77.9 | -64.1 | 0 | 0 | 0 | 112.1 | K13 K14 R19 I20 M21 | K13-Y17 HydrophobicContact CD-CE2 4.09Å; K13-Y17 VanDerWaalsContact CE-CE2 3.44Å; K13-Y17 WeakPolarHBondContact CE-OH 3.34Å; K13-Y17 HydrophobicContact CG-CD2 3.92Å; K13-Y17 HydrophobicContact CG-CE2 3.49Å; K13-Y17 VanDerWaalsContact CG-CE2 3.49Å; K13-Y17 WeakPolarHBondContact O-CD2 3.37Å; K13-Y17 PolarHBondContact O-N 3.28Å; K14-Y17 WeakPolarHBondContact O-CB 3.21Å; K14-Y17 PolarHBondContact O-N 3.41Å; Y17-R19 VanDerWaalsContact C-N 3.29Å; Y17-R19 PolarHBondContact O-N 3.27Å; Y17-I20 PolarHBondContact O-N 2.82Å; Y17-I20 VanDerWaalsContact O-N 3.09Å; Y17-M21 WeakPolarHBondContact O-CG 3.4Å; Y17-M21 PolarHBondContact O-N 2.8Å |
| 18 | D | 88.4 | Confident | 86.7 | Confident | 21 Ų | 21 | 91.8 Ų | 91.8 | 11% | 0.112 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -56.6 | -46.7 | 179.1 | -65.1 | -20.8 | 0 | 0 | 0 | 110.1 | K14 I20 M21 G22 D23 Y26 | K14-D18 PolarHBondContact O-N 2.8Å; D18-I20 PolarHBondContact O-N 2.92Å; D18-M21 CarbonylContact O-C 3.46Å; D18-M21 WeakPolarHBondContact O-CA 3.45Å; D18-M21 PolarHBondContact O-N 3.02Å; D18-M21 VanDerWaalsContact O-N 3.08Å; D18-G22 PolarHBondContact O-N 2.8Å; D18-G22 VanDerWaalsContact O-N 3.12Å; D18-D23 CarbonylContact C-O 3.59Å; D18-D23 VanDerWaalsContact C-O 3.26Å; D18-D23 HydrophobicContact CB-CB 4.03Å; D18-D23 WeakPolarHBondContact O-CA 3.5Å; D18-D23 WeakPolarHBondContact O-CB 3.35Å; D18-D23 PolarHBondContact O-N 2.96Å; D18-Y26 VanDerWaalsContact OD2-CE2 3.22Å; D18-Y26 WeakPolarHBondContact OD2-CE2 3.42Å |
| 19 | R | 87.5 | Confident | 86.2 | Confident | 139 Ų | 139 | 94.9 Ų | 94.9 | 53% | 0.525 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.2 | -41.9 | 175.8 | -176.7 | -178.3 | -178.5 | 142.9 | -6.3 | 113.2 | H15 Y17 M21 G22 D23 E27 | H15-R19 VanDerWaalsContact O-CB 3.31Å; H15-R19 WeakPolarHBondContact O-CB 3.45Å; H15-R19 PolarHBondContact O-N 2.92Å; Y17-R19 VanDerWaalsContact C-N 3.29Å; Y17-R19 PolarHBondContact O-N 3.27Å; R19-M21 VanDerWaalsContact C-N 3.25Å; R19-M21 PolarHBondContact O-N 2.99Å; R19-G22 PolarHBondContact O-N 3.39Å; R19-G22 VanDerWaalsContact O-N 3.11Å; R19-D23 PolarHBondContact N-O 3.38Å; R19-E27 WeakPolarHBondContact CD-OE1 3.2Å; R19-E27 IonicContact CZ-OE1 2.63Å; R19-E27 IonicContact NE-OE1 2.92Å; R19-E27 IonicContact NH1-OE1 2.8Å; R19-E27 PolarHBondContact NH1-OE1 2.83Å; R19-E27 IonicContact NH1-OE2 3.94Å; R19-E27 PolarHBondContact NH1-OE2 3.01Å |
| 20 | I | 90.6 | Very high | 85.6 | Confident | 121 Ų | 121 | 97.4 Ų | 97.4 | 62% | 0.621 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.1 | -35.3 | 177 | -71.1 | 164.9 | 0 | 0 | 0 | 110.6 | L16 Y17 D18 G22 | L16-I20 HydrophobicContact CD1-CD1 4.12Å; L16-I20 HydrophobicContact CD1-CG1 4.45Å; L16-I20 HydrophobicContact CG-CD1 3.97Å; L16-I20 WeakPolarHBondContact O-CD1 3.3Å; L16-I20 VanDerWaalsContact O-CG1 3.23Å; L16-I20 WeakPolarHBondContact O-CG1 3.37Å; L16-I20 PolarHBondContact O-N 3.21Å; Y17-I20 PolarHBondContact O-N 2.82Å; Y17-I20 VanDerWaalsContact O-N 3.09Å; D18-I20 PolarHBondContact O-N 2.92Å; I20-G22 PolarHBondContact O-N 3.18Å |
| 21 | M | 90.1 | Very high | 85.2 | Confident | 151 Ų | 151 | 99.9 Ų | 99.9 | 74% | 0.744 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -0.6 | 175.5 | -62.7 | -62 | -124.4 | 0 | 0 | 113.4 | Y17 D18 R19 | Y17-M21 WeakPolarHBondContact O-CG 3.4Å; Y17-M21 PolarHBondContact O-N 2.8Å; D18-M21 CarbonylContact O-C 3.46Å; D18-M21 WeakPolarHBondContact O-CA 3.45Å; D18-M21 PolarHBondContact O-N 3.02Å; D18-M21 VanDerWaalsContact O-N 3.08Å; R19-M21 VanDerWaalsContact C-N 3.25Å; R19-M21 PolarHBondContact O-N 2.99Å |
| 22 | G | 84.7 | Confident | 84.6 | Confident | 62 Ų | 62 | 101.8 Ų | 101.8 | 64% | 0.639 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.3 | 9.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | D18 R19 I20 | D18-G22 PolarHBondContact O-N 2.8Å; D18-G22 VanDerWaalsContact O-N 3.12Å; R19-G22 PolarHBondContact O-N 3.39Å; R19-G22 VanDerWaalsContact O-N 3.11Å; I20-G22 PolarHBondContact O-N 3.18Å |
| 23 | D | 83.9 | Confident | 83.9 | Confident | 39 Ų | 39 | 97.7 Ų | 97.7 | 21% | 0.209 | 48% | 0.48 | C | S | . | . | trans | -86 | 113.1 | 172.6 | 178.2 | -3.5 | 0 | 0 | 0 | 110 | D18 R19 R25 | D18-D23 CarbonylContact C-O 3.59Å; D18-D23 VanDerWaalsContact C-O 3.26Å; D18-D23 HydrophobicContact CB-CB 4.03Å; D18-D23 WeakPolarHBondContact O-CA 3.5Å; D18-D23 WeakPolarHBondContact O-CB 3.35Å; D18-D23 PolarHBondContact O-N 2.96Å; R19-D23 PolarHBondContact N-O 3.38Å; D23-R25 WeakPolarHBondContact OD1-CB 3.32Å; D23-R25 WeakPolarHBondContact OD1-CD 3.21Å; D23-R25 WeakPolarHBondContact OD1-CG 3.5Å; D23-R25 IonicContact OD1-CZ 3.49Å; D23-R25 PolarHBondContact OD1-N 2.7Å; D23-R25 VanDerWaalsContact OD1-N 3.09Å; D23-R25 IonicContact OD1-NE 3.81Å; D23-R25 PolarHBondContact OD1-NE 3.49Å; D23-R25 IonicContact OD2-CZ 2.87Å; D23-R25 IonicContact OD2-NE 2.79Å; D23-R25 PolarHBondContact OD2-NE 3.39Å; D23-R25 IonicContact OD2-NH2 3.59Å; D23-R25 PolarHBondContact OD2-NH2 2.92Å | ||
| 24 | D | 80.7 | Confident | 83.3 | Confident | 43 Ų | 43 | 94 Ų | 94 | 23% | 0.23 | 47% | 0.472 | C | S | . | . | trans | -108.6 | 19.3 | -175.3 | 72.9 | -2.5 | 0 | 0 | 0 | 114 | Y26 E27 R29 Y31 | D24-Y26 PolarHBondContact O-N 2.94Å; D24-E27 HydrophobicContact CB-CB 4.24Å; D24-E27 HydrophobicContact CB-CG 4.08Å; D24-E27 WeakPolarHBondContact O-CB 3.25Å; D24-E27 PolarHBondContact O-N 2.73Å; D24-R29 VanDerWaalsContact OD2-CD 3.28Å; D24-R29 WeakPolarHBondContact OD2-CD 3.33Å; D24-R29 IonicContact OD2-CZ 2.97Å; D24-R29 IonicContact OD2-NE 2.73Å; D24-R29 IonicContact OD2-NH1 3.06Å; D24-R29 PolarHBondContact OD2-NH1 3.3Å; D24-Y31 PolarHBondContact O-OH 3.23Å; D24-Y31 WeakPolarHBondContact OD1-CE1 3.3Å | ||
| 25 | R | 78.4 | Confident | 83.4 | Confident | 60 Ų | 60 | 93 Ų | 93 | 23% | 0.226 | 48% | 0.477 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -23.3 | -177.2 | -71.7 | 178.1 | -62.3 | 173 | -1.8 | 115 | D23 V45 D88 | D23-R25 WeakPolarHBondContact OD1-CB 3.32Å; D23-R25 WeakPolarHBondContact OD1-CD 3.21Å; D23-R25 WeakPolarHBondContact OD1-CG 3.5Å; D23-R25 IonicContact OD1-CZ 3.49Å; D23-R25 PolarHBondContact OD1-N 2.7Å; D23-R25 VanDerWaalsContact OD1-N 3.09Å; D23-R25 IonicContact OD1-NE 3.81Å; D23-R25 PolarHBondContact OD1-NE 3.49Å; D23-R25 IonicContact OD2-CZ 2.87Å; D23-R25 IonicContact OD2-NE 2.79Å; D23-R25 PolarHBondContact OD2-NE 3.39Å; D23-R25 IonicContact OD2-NH2 3.59Å; D23-R25 PolarHBondContact OD2-NH2 2.92Å; R25-V45 HydrophobicContact CG-CG2 3.69Å; R25-D88 PolarHBondContact NH1-O 3.38Å |
| 26 | Y | 81.3 | Confident | 83.4 | Confident | 96 Ų | 96 | 90 Ų | 90 | 38% | 0.376 | 46% | 0.463 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | 0.6 | 179.7 | -52.7 | -76.6 | 0 | 0 | 0 | 113.7 | K14 H15 D18 D24 | K14-Y26 PolarHBondContact NZ-OH 2.97Å; H15-Y26 AromaticContact CD2-CD2 3.68Å; H15-Y26 AromaticContact CD2-CE2 3.95Å; H15-Y26 AromaticContact CD2-CG 3.76Å; H15-Y26 AromaticContact CE1-CD1 3.87Å; H15-Y26 AromaticContact CE1-CG 3.9Å; H15-Y26 AromaticContact NE2-CD1 3.56Å; H15-Y26 AromaticContact NE2-CE1 3.78Å; H15-Y26 AromaticContact NE2-CG 3.68Å; D18-Y26 VanDerWaalsContact OD2-CE2 3.22Å; D18-Y26 WeakPolarHBondContact OD2-CE2 3.42Å; D24-Y26 PolarHBondContact O-N 2.94Å |
| 27 | E | 80.8 | Confident | 83.6 | Confident | 61 Ų | 61 | 87.8 Ų | 87.8 | 29% | 0.285 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -88.9 | 143.6 | 179.7 | -63.5 | -72.8 | 169 | 0 | 0 | 110.8 | R19 D24 R29 | R19-E27 WeakPolarHBondContact CD-OE1 3.2Å; R19-E27 IonicContact CZ-OE1 2.63Å; R19-E27 IonicContact NE-OE1 2.92Å; R19-E27 IonicContact NH1-OE1 2.8Å; R19-E27 PolarHBondContact NH1-OE1 2.83Å; R19-E27 IonicContact NH1-OE2 3.94Å; R19-E27 PolarHBondContact NH1-OE2 3.01Å; D24-E27 HydrophobicContact CB-CB 4.24Å; D24-E27 HydrophobicContact CB-CG 4.08Å; D24-E27 WeakPolarHBondContact O-CB 3.25Å; D24-E27 PolarHBondContact O-N 2.73Å; E27-R29 HydrophobicContact CB-CG 4Å; E27-R29 PolarHBondContact O-N 3.22Å |
| 28 | S | 78.6 | Confident | 83.7 | Confident | 125 Ų | 125 | 85 Ų | 85 | 87% | 0.874 | 45% | 0.451 | S | S | * | . | trans | -77.9 | 87.4 | 172.9 | 57.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 29 | R | 76.7 | Confident | 83.9 | Confident | 131 Ų | 131 | 91.8 Ų | 91.8 | 49% | 0.494 | 48% | 0.482 | S | S | . | . | trans | -125.1 | 149.4 | -178.8 | -68.4 | 179.6 | 176.3 | -166.6 | -2.3 | 112.5 | D24 E27 | D24-R29 VanDerWaalsContact OD2-CD 3.28Å; D24-R29 WeakPolarHBondContact OD2-CD 3.33Å; D24-R29 IonicContact OD2-CZ 2.97Å; D24-R29 IonicContact OD2-NE 2.73Å; D24-R29 IonicContact OD2-NH1 3.06Å; D24-R29 PolarHBondContact OD2-NH1 3.3Å; E27-R29 HydrophobicContact CB-CG 4Å; E27-R29 PolarHBondContact O-N 3.22Å | ||
| 30 | I | 77.3 | Confident | 84.2 | Confident | 148 Ų | 148 | 87.6 Ų | 87.6 | 76% | 0.759 | 48% | 0.475 | S | S | * | . | trans | -84.9 | 114.3 | 163.1 | -60.1 | 175 | 0 | 0 | 0 | 106.1 | L56 | I30-L56 HydrophobicContact CD1-CD1 4.38Š| ||
| 31 | Y | 81 | Confident | 84.4 | Confident | 111 Ų | 111 | 82.5 Ų | 82.5 | 44% | 0.435 | 45% | 0.449 | S | S | . | . | P | Polyproline II helix | trans | -76.5 | 135.1 | 177.7 | -65.3 | -82 | 0 | 0 | 0 | 110.4 | D24 | D24-Y31 PolarHBondContact O-OH 3.23Å; D24-Y31 WeakPolarHBondContact OD1-CE1 3.3Å |
| 32 | V | 75.5 | Confident | 84.6 | Confident | 144 Ų | 144 | 75.8 Ų | 75.8 | 87% | 0.873 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -70.1 | 131.3 | 170.8 | -178.6 | 0 | 0 | 0 | 0 | 108 | ||
| 33 | Q | 76 | Confident | 84.9 | Confident | 68 Ų | 68 | 77 Ų | 77 | 32% | 0.318 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 134.6 | -179.1 | -67 | 162.6 | 5.6 | 0 | 0 | 109.4 | N42 L56 Y81 | Q33-N42 VanDerWaalsContact CA-OD1 3.25Å; Q33-N42 WeakPolarHBondContact CA-OD1 3.09Å; Q33-L56 PolarHBondContact NE2-O 3.46Å; Q33-L56 VanDerWaalsContact NE2-O 3.16Å; Q33-Y81 VanDerWaalsContact OE1-CD2 3.25Å |
| 34 | A | 79.6 | Confident | 85.2 | Confident | 41 Ų | 41 | 76.5 Ų | 76.5 | 34% | 0.339 | 41% | 0.408 | S | S | . | . | trans | -62.1 | -179.9 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | G36 N42 | A34-G36 PolarHBondContact O-N 2.87Å; A34-N42 PolarHBondContact N-OD1 2.8Å | ||
| 35 | P | 89.1 | Confident | 85.6 | Confident | 89 Ų | 89 | 76.5 Ų | 76.5 | 58% | 0.578 | 41% | 0.41 | S | S | * | . | trans | -50.4 | -29.1 | 175 | -26.7 | 35.9 | 0 | 0 | 0 | 112.8 | T37 Y81 | P35-T37 HydrophobicContact CB-CG2 4.2Å; P35-T37 PolarHBondContact O-N 2.52Å; P35-Y81 WeakPolarHBondContact O-CE1 3.31Å | ||
| 36 | G | 90.6 | Very high | 86.2 | Confident | 3 Ų | 3 | 74.1 Ų | 74.1 | 3% | 0.031 | 40% | 0.402 | C | S | . | . | trans | 66.5 | 26.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A34 S40 Y81 W82 | A34-G36 PolarHBondContact O-N 2.87Å; G36-S40 CarbonylContact C-O 3.59Å; G36-S40 VanDerWaalsContact CA-O 3.3Å; G36-S40 WeakPolarHBondContact CA-O 3.17Å; G36-S40 PolarHBondContact N-O 3.41Å; G36-Y81 CarbonylContact O-C 3.59Å; G36-Y81 WeakPolarHBondContact O-CA 3.43Å; G36-W82 PolarHBondContact O-N 3.46Å | ||
| 37 | T | 94.3 | Very high | 86.6 | Confident | 57 Ų | 57 | 73.4 Ų | 73.4 | 35% | 0.35 | 41% | 0.411 | S | S | . | . | trans | -83.7 | 171.4 | 173.8 | 75 | 0 | 0 | 0 | 0 | 110.1 | P35 E39 S40 P41 W82 | P35-T37 HydrophobicContact CB-CG2 4.2Å; P35-T37 PolarHBondContact O-N 2.52Å; T37-E39 VanDerWaalsContact CB-OE2 3.32Å; T37-E39 WeakPolarHBondContact CB-OE2 3.28Å; T37-E39 PolarHBondContact O-N 3.49Å; T37-E39 PolarHBondContact OG1-N 3.02Å; T37-E39 PolarHBondContact OG1-OE2 3.09Å; T37-S40 PolarHBondContact N-O 3.25Å; T37-S40 VanDerWaalsContact N-O 3.13Å; T37-S40 CarbonylContact O-C 3.57Å; T37-S40 PolarHBondContact O-N 2.79Å; T37-S40 PolarHBondContact OG1-N 2.95Å; T37-S40 VanDerWaalsContact OG1-N 3.07Å; T37-P41 WeakPolarHBondContact O-CA 3.3Å; T37-P41 VanDerWaalsContact O-N 3.09Å; T37-W82 WeakPolarHBondContact O-CB 3.47Å | ||
| 38 | T | 92.4 | Very high | 87.1 | Confident | 75 Ų | 75 | 74.7 Ų | 74.7 | 46% | 0.46 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -60.9 | -36.9 | 176.1 | -46.4 | 0 | 0 | 0 | 0 | 111.6 | W82 | T38-W82 HydrophobicContact CG2-CD2 4.49Å; T38-W82 HydrophobicContact CG2-CZ2 4.45Å; T38-W82 PolarHBondContact OG1-NE1 3.49Å; T38-W82 VanDerWaalsContact OG1-NE1 3.11Å |
| 39 | E | 93.9 | Very high | 87.9 | Confident | 163 Ų | 163 | 72.7 Ų | 72.7 | 76% | 0.762 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -80 | -26.6 | 178.5 | -47.6 | 80.7 | -171.3 | 0 | 0 | 112.8 | T37 | T37-E39 VanDerWaalsContact CB-OE2 3.32Å; T37-E39 WeakPolarHBondContact CB-OE2 3.28Å; T37-E39 PolarHBondContact O-N 3.49Å; T37-E39 PolarHBondContact OG1-N 3.02Å; T37-E39 PolarHBondContact OG1-OE2 3.09Å |
| 40 | S | 92.9 | Very high | 88.8 | Confident | 52 Ų | 52 | 71.2 Ų | 71.2 | 36% | 0.364 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -131.4 | 70.2 | -179.8 | -163.5 | 0 | 0 | 0 | 0 | 110.7 | G36 T37 | G36-S40 CarbonylContact C-O 3.59Å; G36-S40 VanDerWaalsContact CA-O 3.3Å; G36-S40 WeakPolarHBondContact CA-O 3.17Å; G36-S40 PolarHBondContact N-O 3.41Å; T37-S40 PolarHBondContact N-O 3.25Å; T37-S40 VanDerWaalsContact N-O 3.13Å; T37-S40 CarbonylContact O-C 3.57Å; T37-S40 PolarHBondContact O-N 2.79Å; T37-S40 PolarHBondContact OG1-N 2.95Å; T37-S40 VanDerWaalsContact OG1-N 3.07Å |
| 41 | P | 94.5 | Very high | 89.6 | Confident | 13 Ų | 13 | 68.6 Ų | 68.6 | 8% | 0.084 | 39% | 0.388 | C | S | . | . | trans | -71.7 | 161.5 | -178 | 31.3 | -36.6 | 0 | 0 | 0 | 111.5 | T37 V43 W82 Q84 | T37-P41 WeakPolarHBondContact O-CA 3.3Å; T37-P41 VanDerWaalsContact O-N 3.09Å; P41-V43 PolarHBondContact O-N 3.49Å; P41-W82 HydrophobicContact CB-CB 3.89Å; P41-Q84 HydrophobicContact CB-CB 4.16Å; P41-Q84 HydrophobicContact CG-CB 3.85Å | ||
| 42 | N | 93.5 | Very high | 90.3 | Very high | 11 Ų | 11 | 69 Ų | 69 | 6% | 0.059 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 110 | 167.4 | -66.6 | -73.2 | 0 | 0 | 0 | 109.7 | Q33 A34 W82 F83 Q84 | Q33-N42 VanDerWaalsContact CA-OD1 3.25Å; Q33-N42 WeakPolarHBondContact CA-OD1 3.09Å; A34-N42 PolarHBondContact N-OD1 2.8Å; N42-W82 WeakPolarHBondContact CB-O 3.26Å; N42-W82 PolarHBondContact N-O 2.93Å; N42-W82 PolarHBondContact ND2-O 2.63Å; N42-F83 HydrophobicContact CB-CD1 3.49Å; N42-F83 VanDerWaalsContact CB-CD1 3.49Å; N42-F83 HydrophobicContact CB-CE1 3.71Å; N42-F83 HydrophobicContact CB-CG 4.07Å; N42-F83 HydrophobicContact CB-CZ 4.45Å; N42-F83 CarbonylContact O-C 3.57Å; N42-F83 VanDerWaalsContact O-CA 3.28Å; N42-F83 WeakPolarHBondContact O-CA 3.41Å; N42-Q84 PolarHBondContact O-N 3.48Å |
| 43 | V | 91.6 | Very high | 91.2 | Very high | 87 Ų | 87 | 63 Ų | 63 | 53% | 0.527 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 123.2 | -179.2 | -180 | 0 | 0 | 0 | 0 | 109.8 | P41 V86 | P41-V43 PolarHBondContact O-N 3.49Å; V43-V86 HydrophobicContact CG1-CB 4.31Å; V43-V86 HydrophobicContact CG1-CG1 3.85Å; V43-V86 HydrophobicContact CG1-CG2 3.46Å; V43-V86 VanDerWaalsContact CG1-CG2 3.46Å |
| 44 | I | 90.7 | Very high | 92 | Very high | 29 Ų | 29 | 61.6 Ų | 61.6 | 15% | 0.149 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 127.7 | 177.6 | -51.9 | -62.7 | 0 | 0 | 0 | 107.8 | V53 L69 F83 Q84 L85 V86 | I44-V53 HydrophobicContact CG1-CG2 4.19Å; I44-V53 HydrophobicContact CG2-CG2 3.98Å; I44-L69 HydrophobicContact CB-CD1 4.07Å; I44-L69 HydrophobicContact CG1-CD1 3.82Å; I44-F83 HydrophobicContact CD1-CD1 4.43Å; I44-F83 HydrophobicContact CG1-CD1 4.26Å; I44-Q84 PolarHBondContact N-O 3Å; I44-L85 HydrophobicContact CB-CD1 4.09Å; I44-L85 HydrophobicContact CG2-CD1 3.93Å; I44-L85 CarbonylContact O-C 3.26Å; I44-L85 WeakPolarHBondContact O-CA 3.47Å; I44-L85 WeakPolarHBondContact O-CD1 3.23Å; I44-V86 PolarHBondContact O-N 3.04Å |
| 45 | V | 89.2 | Confident | 92.7 | Very high | 43 Ų | 43 | 59.8 Ų | 59.8 | 26% | 0.261 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 146.2 | 178.3 | -66.4 | 0 | 0 | 0 | 0 | 111.4 | R25 R51 V86 D88 | R25-V45 HydrophobicContact CG-CG2 3.69Å; V45-R51 PolarHBondContact O-NH1 3.29Å; V45-V86 CarbonylContact C-O 3.56Å; V45-V86 WeakPolarHBondContact CA-O 3.35Å; V45-V86 HydrophobicContact CB-CG2 4.46Å; V45-V86 HydrophobicContact CG1-CG2 3.76Å; V45-D88 HydrophobicContact CB-CB 4.33Å |
| 46 | S | 90.4 | Very high | 92.9 | Very high | 10 Ų | 10 | 58.6 Ų | 58.6 | 7% | 0.07 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 137.6 | 171.9 | -171.5 | 0 | 0 | 0 | 0 | 112.9 | V48 K71 V86 D88 | S46-V48 PolarHBondContact O-N 3.25Å; S46-V48 VanDerWaalsContact OG-CG2 3.26Å; S46-V48 WeakPolarHBondContact OG-CG2 3.45Å; S46-V48 PolarHBondContact OG-N 2.85Å; S46-V48 PolarHBondContact OG-O 2.78Å; S46-K71 WeakPolarHBondContact O-CE 3.41Å; S46-K71 PolarHBondContact O-NZ 3.12Å; S46-V86 PolarHBondContact N-O 2.99Å; S46-D88 PolarHBondContact O-N 2.92Å |
| 47 | S | 89.2 | Confident | 92.9 | Very high | 81 Ų | 81 | 59.8 Ų | 59.8 | 57% | 0.566 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -74 | -10.5 | 172.8 | -11.7 | 0 | 0 | 0 | 0 | 113.5 | D88 | S47-D88 VanDerWaalsContact CA-CG 3.49Å; S47-D88 WeakPolarHBondContact CA-OD1 3.49Å; S47-D88 VanDerWaalsContact CB-CG 3.46Å; S47-D88 VanDerWaalsContact CB-OD1 3.31Å; S47-D88 WeakPolarHBondContact CB-OD1 3.48Å; S47-D88 WeakPolarHBondContact CB-OD2 3.08Å; S47-D88 PolarHBondContact OG-OD2 3.05Å |
| 48 | V | 92.2 | Very high | 92.7 | Very high | 87 Ų | 87 | 59.6 Ų | 59.6 | 53% | 0.527 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -117.2 | 165.1 | -179.1 | -67.4 | 0 | 0 | 0 | 0 | 111 | S46 Q50 K71 | S46-V48 PolarHBondContact O-N 3.25Å; S46-V48 VanDerWaalsContact OG-CG2 3.26Å; S46-V48 WeakPolarHBondContact OG-CG2 3.45Å; S46-V48 PolarHBondContact OG-N 2.85Å; S46-V48 PolarHBondContact OG-O 2.78Å; V48-Q50 WeakPolarHBondContact CG2-O 3.04Å; V48-Q50 PolarHBondContact O-N 3.03Å; V48-K71 WeakPolarHBondContact O-CE 3.28Å; V48-K71 PolarHBondContact O-NZ 3.27Å |
| 49 | S | 94.9 | Very high | 92.3 | Very high | 83 Ų | 83 | 62.4 Ų | 62.4 | 58% | 0.58 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -67.3 | -20.9 | -175.3 | 55.2 | 0 | 0 | 0 | 0 | 114.3 | K71 | S49-K71 PolarHBondContact O-N 3.44Š|
| 50 | Q | 96.7 | Very high | 92.1 | Very high | 101 Ų | 101 | 61.9 Ų | 61.9 | 47% | 0.472 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 141.5 | -176.6 | -58.5 | -171.6 | -24.3 | 0 | 0 | 112 | V48 V68 L69 E70 | V48-Q50 WeakPolarHBondContact CG2-O 3.04Å; V48-Q50 PolarHBondContact O-N 3.03Å; Q50-V68 HydrophobicContact CB-CG1 4.02Å; Q50-V68 HydrophobicContact CG-CG1 4.47Å; Q50-L69 WeakPolarHBondContact CA-O 3.43Å; Q50-E70 HydrophobicContact CG-CG 4.03Å |
| 51 | R | 94.2 | Very high | 91.9 | Very high | 92 Ų | 92 | 61.4 Ų | 61.4 | 35% | 0.347 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 137.8 | 176.8 | -171.3 | 172.3 | 178.4 | 165.4 | 3.4 | 111 | V45 L69 L85 | V45-R51 PolarHBondContact O-NH1 3.29Å; R51-L69 PolarHBondContact N-O 3.39Å; R51-L69 VanDerWaalsContact N-O 3.09Å; R51-L69 PolarHBondContact O-N 3.09Å; R51-L85 HydrophobicContact CB-CD1 3.72Å; R51-L85 HydrophobicContact CB-CD2 4.19Å |
| 52 | I | 95.3 | Very high | 91.7 | Very high | 120 Ų | 120 | 65.9 Ų | 65.9 | 62% | 0.615 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 129.6 | 170.1 | -60.6 | 172.8 | 0 | 0 | 0 | 108.5 | Y66 M67 V68 | I52-Y66 HydrophobicContact CG2-CD1 3.91Å; I52-M67 WeakPolarHBondContact CA-O 3.33Å; I52-V68 HydrophobicContact CG1-CG2 4.38Å |
| 53 | V | 93.3 | Very high | 91.6 | Very high | 17 Ų | 17 | 71 Ų | 71 | 10% | 0.103 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 136.8 | 174.6 | 173.2 | 0 | 0 | 0 | 0 | 109.1 | I44 Y66 M67 L69 F83 | I44-V53 HydrophobicContact CG1-CG2 4.19Å; I44-V53 HydrophobicContact CG2-CG2 3.98Å; V53-Y66 CarbonylContact O-C 3.59Å; V53-Y66 VanDerWaalsContact O-CA 3.32Å; V53-Y66 WeakPolarHBondContact O-CA 3.22Å; V53-M67 HydrophobicContact CB-CE 4.42Å; V53-M67 HydrophobicContact CG1-CE 4.16Å; V53-M67 PolarHBondContact N-O 2.96Å; V53-M67 PolarHBondContact O-N 3.02Å; V53-L69 HydrophobicContact CB-CD1 4.24Å; V53-L69 HydrophobicContact CB-CG 4.38Å; V53-L69 HydrophobicContact CG2-CD1 3.56Å; V53-L69 HydrophobicContact CG2-CG 3.99Å; V53-F83 HydrophobicContact CG1-CD1 4.28Å; V53-F83 HydrophobicContact CG1-CE1 4.25Å |
| 54 | G | 94 | Very high | 91.7 | Very high | 39 Ų | 39 | 68.1 Ų | 68.1 | 40% | 0.402 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 120.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 55 | C | 94.2 | Very high | 91.9 | Very high | 3 Ų | 3 | 70.2 Ų | 70.2 | 2% | 0.02 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 125.7 | 173 | 179.1 | 0 | 0 | 0 | 0 | 109.7 | A64 K65 C77 F83 | C55-A64 WeakPolarHBondContact O-CA 3.43Å; C55-K65 PolarHBondContact N-O 3.39Å; C55-K65 PolarHBondContact O-N 3.38Å; C55-C77 HydrophobicContact CB-CB 4.28Å; C55-C77 VanDerWaalsContact CB-SG 3.59Å; C55-F83 HydrophobicContact CB-CZ 4.01Å |
| 56 | L | 92.7 | Very high | 92.2 | Very high | 64 Ų | 64 | 76.5 Ų | 76.5 | 34% | 0.335 | 44% | 0.435 | S | S | . | . | trans | -86.9 | 107.4 | 163.7 | -64.5 | 170.6 | 0 | 0 | 0 | 106.9 | I30 Q33 S58 A64 | I30-L56 HydrophobicContact CD1-CD1 4.38Å; Q33-L56 PolarHBondContact NE2-O 3.46Å; Q33-L56 VanDerWaalsContact NE2-O 3.16Å; L56-S58 VanDerWaalsContact C-N 3.28Å; L56-S58 PolarHBondContact O-N 2.97Å; L56-A64 HydrophobicContact CD2-CB 4.05Å | ||
| 57 | C | 91.8 | Very high | 92.5 | Very high | 29 Ų | 29 | 77 Ų | 77 | 20% | 0.196 | 44% | 0.436 | C | S | . | . | S | Bend | trans | -75 | -23.1 | -172.8 | -61.7 | 0 | 0 | 0 | 0 | 112.5 | E61 K65 C77 C79 | C57-E61 WeakPolarHBondContact CA-OE2 3.31Å; C57-E61 WeakPolarHBondContact CB-OE2 3.17Å; C57-E61 PolarHBondContact N-OE2 3.2Å; C57-K65 VanDerWaalsContact SG-CD 3.58Å; C57-C77 VanDerWaalsContact SG-SG 3.7Å; C57-C79 HydrophobicContact CB-CB 3.6Å; C57-C79 VanDerWaalsContact SG-CB 3.54Å; C57-C79 VanDerWaalsContact SG-SG 3.67Å |
| 58 | S | 88.6 | Confident | 92.9 | Very high | 53 Ų | 53 | 76 Ų | 76 | 37% | 0.371 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -137.2 | 147.1 | 174.2 | 171.9 | 0 | 0 | 0 | 0 | 109.7 | L56 N60 E61 | L56-S58 VanDerWaalsContact C-N 3.28Å; L56-S58 PolarHBondContact O-N 2.97Å; S58-N60 PolarHBondContact O-N 3.03Å; S58-N60 PolarHBondContact OG-N 2.93Å; S58-E61 PolarHBondContact N-OE2 3.38Å; S58-E61 WeakPolarHBondContact O-CB 3.2Å; S58-E61 PolarHBondContact O-N 3.25Å |
| 59 | P | 85.3 | Confident | 93.2 | Very high | 133 Ų | 133 | 71.8 Ų | 71.8 | 86% | 0.864 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -23.8 | 173.9 | -25.6 | 34.4 | 0 | 0 | 0 | 114.2 | ||
| 60 | N | 88.7 | Confident | 93.3 | Very high | 153 Ų | 153 | 71 Ų | 71 | 82% | 0.818 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | 2.5 | -178 | -63.2 | -19.6 | 0 | 0 | 0 | 113.2 | S58 | S58-N60 PolarHBondContact O-N 3.03Å; S58-N60 PolarHBondContact OG-N 2.93Å |
| 61 | E | 89 | Confident | 93.2 | Very high | 42 Ų | 42 | 69.1 Ų | 69.1 | 20% | 0.196 | 38% | 0.379 | C | S | . | . | trans | -81.1 | 125.1 | -179.5 | -159.4 | 170 | -158 | 0 | 0 | 110.2 | C57 S58 H63 K65 | C57-E61 WeakPolarHBondContact CA-OE2 3.31Å; C57-E61 WeakPolarHBondContact CB-OE2 3.17Å; C57-E61 PolarHBondContact N-OE2 3.2Å; S58-E61 PolarHBondContact N-OE2 3.38Å; S58-E61 WeakPolarHBondContact O-CB 3.2Å; S58-E61 PolarHBondContact O-N 3.25Å; E61-H63 VanDerWaalsContact C-N 3.27Å; E61-H63 PolarHBondContact O-N 3Å; E61-H63 IonicContact OE1-CD2 3.84Å; E61-H63 IonicContact OE1-CE1 3.83Å; E61-H63 IonicContact OE1-NE2 3.3Å; E61-H63 PolarHBondContact OE1-NE2 3.36Å; E61-K65 WeakPolarHBondContact OE1-CE 3.44Å; E61-K65 IonicContact OE1-NZ 3.69Å | ||
| 62 | A | 90.4 | Very high | 93.1 | Very high | 106 Ų | 106 | 68.3 Ų | 68.3 | 88% | 0.876 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -80.2 | -8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 63 | H | 91.9 | Very high | 93.1 | Very high | 119 Ų | 119 | 68.5 Ų | 68.5 | 55% | 0.551 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -129.2 | 131.9 | -175.5 | 55.2 | -86.2 | 0 | 0 | 0 | 111 | E61 | E61-H63 VanDerWaalsContact C-N 3.27Å; E61-H63 PolarHBondContact O-N 3Å; E61-H63 IonicContact OE1-CD2 3.84Å; E61-H63 IonicContact OE1-CE1 3.83Å; E61-H63 IonicContact OE1-NE2 3.3Å; E61-H63 PolarHBondContact OE1-NE2 3.36Å |
| 64 | A | 93.1 | Very high | 93.2 | Very high | 26 Ų | 26 | 70.7 Ų | 70.7 | 22% | 0.215 | 41% | 0.407 | C | S | . | . | trans | -80.9 | 139.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | C55 L56 Y66 | C55-A64 WeakPolarHBondContact O-CA 3.43Å; L56-A64 HydrophobicContact CD2-CB 4.05Å; A64-Y66 HydrophobicContact CB-CE1 4.48Å; A64-Y66 HydrophobicContact CB-CE2 4.01Å; A64-Y66 WeakPolarHBondContact O-CD2 3.42Å; A64-Y66 WeakPolarHBondContact O-CE2 3.49Å | ||
| 65 | K | 94.6 | Very high | 93.3 | Very high | 74 Ų | 74 | 72.9 Ų | 72.9 | 32% | 0.322 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 112.6 | 168.8 | -62.6 | -175.7 | -166.3 | 161.6 | 0 | 108.5 | C55 C57 E61 A78 | C55-K65 PolarHBondContact N-O 3.39Å; C55-K65 PolarHBondContact O-N 3.38Å; C57-K65 VanDerWaalsContact SG-CD 3.58Å; E61-K65 WeakPolarHBondContact OE1-CE 3.44Å; E61-K65 IonicContact OE1-NZ 3.69Å; K65-A78 HydrophobicContact CD-CB 3.94Å |
| 66 | Y | 96.3 | Very high | 93.5 | Very high | 174 Ų | 174 | 77.5 Ų | 77.5 | 68% | 0.682 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 140.7 | -178.3 | -67.1 | -82.2 | 0 | 0 | 0 | 111.8 | I52 V53 A64 | I52-Y66 HydrophobicContact CG2-CD1 3.91Å; V53-Y66 CarbonylContact O-C 3.59Å; V53-Y66 VanDerWaalsContact O-CA 3.32Å; V53-Y66 WeakPolarHBondContact O-CA 3.22Å; A64-Y66 HydrophobicContact CB-CE1 4.48Å; A64-Y66 HydrophobicContact CB-CE2 4.01Å; A64-Y66 WeakPolarHBondContact O-CD2 3.42Å; A64-Y66 WeakPolarHBondContact O-CE2 3.49Å |
| 67 | M | 96.8 | Very high | 93.6 | Very high | 20 Ų | 20 | 74.9 Ų | 74.9 | 10% | 0.099 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 147.9 | 174.2 | 58.3 | -174.6 | 176.8 | 0 | 0 | 110.6 | I52 V53 L69 K75 C77 F83 | I52-M67 WeakPolarHBondContact CA-O 3.33Å; V53-M67 HydrophobicContact CB-CE 4.42Å; V53-M67 HydrophobicContact CG1-CE 4.16Å; V53-M67 PolarHBondContact N-O 2.96Å; V53-M67 PolarHBondContact O-N 3.02Å; M67-L69 HydrophobicContact CE-CD2 3.97Å; M67-L69 HydrophobicContact CG-CD2 4.21Å; M67-L69 HydrophobicContact SD-CD2 4.12Å; M67-K75 HydrophobicContact CB-CD 4.25Å; M67-K75 HydrophobicContact SD-CD 4.28Å; M67-K75 HydrophobicContact SD-CG 4.37Å; M67-C77 HydrophobicContact CE-CB 4.42Å; M67-C77 HydrophobicContact SD-CB 4.35Å; M67-F83 HydrophobicContact CE-CB 3.95Å; M67-F83 HydrophobicContact CE-CD1 3.78Å; M67-F83 HydrophobicContact CE-CD2 3.14Å; M67-F83 HydrophobicContact CE-CE1 4.04Å; M67-F83 HydrophobicContact CE-CE2 3.47Å; M67-F83 VanDerWaalsContact CE-CE2 3.47Å; M67-F83 HydrophobicContact CE-CG 3.34Å; M67-F83 HydrophobicContact CE-CZ 3.91Å; M67-F83 HydrophobicContact SD-CD2 4.38Å |
| 68 | V | 97.6 | Very high | 93.7 | Very high | 60 Ų | 60 | 77.7 Ų | 77.7 | 36% | 0.364 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 122.3 | 168.3 | -175.9 | 0 | 0 | 0 | 0 | 108.4 | Q50 I52 K75 | Q50-V68 HydrophobicContact CB-CG1 4.02Å; Q50-V68 HydrophobicContact CG-CG1 4.47Å; I52-V68 HydrophobicContact CG1-CG2 4.38Å; V68-K75 WeakPolarHBondContact O-CD 3.37Å; V68-K75 PolarHBondContact O-NZ 3.17Å |
| 69 | L | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 146.7 | 167.8 | -55.6 | -175.6 | 0 | 0 | 0 | 109.6 | I44 Q50 R51 V53 M67 K75 F83 L85 | I44-L69 HydrophobicContact CB-CD1 4.07Å; I44-L69 HydrophobicContact CG1-CD1 3.82Å; Q50-L69 WeakPolarHBondContact CA-O 3.43Å; R51-L69 PolarHBondContact N-O 3.39Å; R51-L69 VanDerWaalsContact N-O 3.09Å; R51-L69 PolarHBondContact O-N 3.09Å; V53-L69 HydrophobicContact CB-CD1 4.24Å; V53-L69 HydrophobicContact CB-CG 4.38Å; V53-L69 HydrophobicContact CG2-CD1 3.56Å; V53-L69 HydrophobicContact CG2-CG 3.99Å; M67-L69 HydrophobicContact CE-CD2 3.97Å; M67-L69 HydrophobicContact CG-CD2 4.21Å; M67-L69 HydrophobicContact SD-CD2 4.12Å; L69-K75 HydrophobicContact CD2-CB 3.68Å; L69-K75 HydrophobicContact CD2-CD 4.05Å; L69-K75 HydrophobicContact CD2-CG 4.39Å; L69-F83 HydrophobicContact CD1-CB 3.83Å; L69-F83 HydrophobicContact CD2-CB 3.86Å; L69-L85 HydrophobicContact CB-CB 3.93Å; L69-L85 HydrophobicContact CB-CD1 4.31Å; L69-L85 HydrophobicContact CB-CD2 4.26Å; L69-L85 HydrophobicContact CB-CG 4.42Å; L69-L85 HydrophobicContact CD1-CD1 4.47Å |
| 70 | E | 97.4 | Very high | 94.4 | Very high | 67 Ų | 67 | 72.7 Ų | 72.7 | 31% | 0.313 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 138.5 | 176.9 | -64.2 | 176.2 | -154.8 | 0 | 0 | 109 | Q50 G72 K73 | Q50-E70 HydrophobicContact CG-CG 4.03Å; E70-G72 PolarHBondContact O-N 3.46Å; E70-K73 HydrophobicContact CB-CD 4.47Å; E70-K73 PolarHBondContact O-N 3.11Å; E70-K73 IonicContact OE2-NZ 3.84Å; E70-K73 PolarHBondContact OE2-NZ 2.84Å |
| 71 | K | 94.6 | Very high | 94.7 | Very high | 61 Ų | 61 | 69.3 Ų | 69.3 | 27% | 0.265 | 39% | 0.387 | S | S | . | . | B | Isolated β-bridge | trans | -56.3 | 135.4 | 174.6 | -73.8 | -175.5 | 174 | 172.4 | 0 | 110.1 | S46 V48 S49 K73 L85 D87 | S46-K71 WeakPolarHBondContact O-CE 3.41Å; S46-K71 PolarHBondContact O-NZ 3.12Å; V48-K71 WeakPolarHBondContact O-CE 3.28Å; V48-K71 PolarHBondContact O-NZ 3.27Å; S49-K71 PolarHBondContact O-N 3.44Å; K71-K73 VanDerWaalsContact C-N 3.32Å; K71-K73 PolarHBondContact O-N 3.35Å; K71-L85 HydrophobicContact CG-CD2 3.94Å; K71-L85 HydrophobicContact CG-CG 4.12Å; K71-D87 IonicContact NZ-OD1 3.66Å; K71-D87 PolarHBondContact NZ-OD1 3.38Å; K71-D87 IonicContact NZ-OD2 2.77Å; K71-D87 PolarHBondContact NZ-OD2 3.08Å |
| 72 | G | 93.4 | Very high | 95 | Very high | 75 Ų | 75 | 70.2 Ų | 70.2 | 77% | 0.773 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.8 | -1.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | E70 | E70-G72 PolarHBondContact O-N 3.46Š|
| 73 | K | 95.2 | Very high | 95.3 | Very high | 123 Ų | 123 | 65.6 Ų | 65.6 | 54% | 0.535 | 35% | 0.349 | S | S | . | . | B | Isolated β-bridge | trans | -124.5 | 121.3 | 175.7 | -64.4 | 178.6 | -170.5 | 161.3 | 0 | 110.8 | E70 K71 | E70-K73 HydrophobicContact CB-CD 4.47Å; E70-K73 PolarHBondContact O-N 3.11Å; E70-K73 IonicContact OE2-NZ 3.84Å; E70-K73 PolarHBondContact OE2-NZ 2.84Å; K71-K73 VanDerWaalsContact C-N 3.32Å; K71-K73 PolarHBondContact O-N 3.35Å |
| 74 | N | 95.1 | Very high | 95.4 | Very high | 64 Ų | 64 | 63 Ų | 63 | 34% | 0.342 | 34% | 0.337 | S | S | . | . | trans | -74.3 | 140.9 | 169 | -69.2 | 2.2 | 0 | 0 | 0 | 109.4 | W82 F83 Q84 | N74-W82 HydrophobicContact CB-CE3 3.97Å; N74-W82 HydrophobicContact CB-CZ3 4.27Å; N74-F83 CarbonylContact C-O 3.14Å; N74-F83 VanDerWaalsContact CA-O 3.3Å; N74-F83 WeakPolarHBondContact CA-O 3.42Å; N74-Q84 VanDerWaalsContact OD1-CB 3.3Å; N74-Q84 WeakPolarHBondContact OD1-CB 3.44Å; N74-Q84 WeakPolarHBondContact OD1-CG 3.1Å | ||
| 75 | K | 96.9 | Very high | 95.5 | Very high | 85 Ų | 85 | 62 Ų | 62 | 37% | 0.37 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 139.4 | -179.3 | -164.7 | 172.9 | -169.2 | 170.3 | 0 | 110.4 | M67 V68 L69 W82 F83 | M67-K75 HydrophobicContact CB-CD 4.25Å; M67-K75 HydrophobicContact SD-CD 4.28Å; M67-K75 HydrophobicContact SD-CG 4.37Å; V68-K75 WeakPolarHBondContact O-CD 3.37Å; V68-K75 PolarHBondContact O-NZ 3.17Å; L69-K75 HydrophobicContact CD2-CB 3.68Å; L69-K75 HydrophobicContact CD2-CD 4.05Å; L69-K75 HydrophobicContact CD2-CG 4.39Å; K75-W82 CarbonylContact O-C 3.57Å; K75-W82 WeakPolarHBondContact O-CA 3.47Å; K75-F83 PolarHBondContact N-O 3.5Å; K75-F83 PolarHBondContact O-N 3.43Å |
| 76 | Q | 96.5 | Very high | 95.4 | Very high | 99 Ų | 99 | 60.5 Ų | 60.5 | 46% | 0.463 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 137.5 | 178.2 | -157.2 | -177.3 | 30.3 | 0 | 0 | 110.6 | G80 Y81 W82 | Q76-G80 WeakPolarHBondContact CG-O 3.33Å; Q76-G80 VanDerWaalsContact NE2-CA 3.34Å; Q76-G80 PolarHBondContact NE2-O 3.09Å; Q76-Y81 CarbonylContact C-O 3.57Å; Q76-Y81 WeakPolarHBondContact CA-O 3.5Å; Q76-W82 HydrophobicContact CB-CD2 4.04Å; Q76-W82 HydrophobicContact CB-CE3 4.11Å; Q76-W82 HydrophobicContact CB-CH2 4.28Å; Q76-W82 HydrophobicContact CB-CZ2 4.18Å; Q76-W82 HydrophobicContact CB-CZ3 4.24Å; Q76-W82 HydrophobicContact CG-CD2 4.07Å; Q76-W82 HydrophobicContact CG-CG 4.31Å; Q76-W82 HydrophobicContact CG-CZ2 4.23Å |
| 77 | C | 96.5 | Very high | 95.2 | Very high | 10 Ų | 10 | 56.3 Ų | 56.3 | 7% | 0.068 | 31% | 0.314 | C | S | . | . | trans | -80.4 | 162.1 | 166.6 | -172 | 0 | 0 | 0 | 0 | 110.5 | C55 C57 M67 C79 G80 Y81 F83 | C55-C77 HydrophobicContact CB-CB 4.28Å; C55-C77 VanDerWaalsContact CB-SG 3.59Å; C57-C77 VanDerWaalsContact SG-SG 3.7Å; M67-C77 HydrophobicContact CE-CB 4.42Å; M67-C77 HydrophobicContact SD-CB 4.35Å; C77-C79 PolarHBondContact O-N 3.35Å; C77-G80 PolarHBondContact O-N 3Å; C77-Y81 PolarHBondContact N-O 3.42Å; C77-F83 HydrophobicContact CB-CD2 4.47Å; C77-F83 HydrophobicContact CB-CE2 3.79Å | ||
| 78 | A | 92.5 | Very high | 94.5 | Very high | 88 Ų | 88 | 57 Ų | 57 | 73% | 0.727 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -16.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | K65 G80 | K65-A78 HydrophobicContact CD-CB 3.94Å; A78-G80 VanDerWaalsContact C-N 3.33Å |
| 79 | C | 93.8 | Very high | 93.2 | Very high | 51 Ų | 51 | 60.3 Ų | 60.3 | 35% | 0.345 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -7.4 | 172.6 | 58.6 | 0 | 0 | 0 | 0 | 114.6 | C57 C77 Y81 | C57-C79 HydrophobicContact CB-CB 3.6Å; C57-C79 VanDerWaalsContact SG-CB 3.54Å; C57-C79 VanDerWaalsContact SG-SG 3.67Å; C77-C79 PolarHBondContact O-N 3.35Å; C79-Y81 WeakPolarHBondContact SG-CD2 3.48Å |
| 80 | G | 94.7 | Very high | 90.8 | Very high | 29 Ų | 29 | 63.8 Ų | 63.8 | 30% | 0.299 | 36% | 0.357 | S | S | . | . | S | Bend | trans | 99 | -12.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q76 C77 A78 | Q76-G80 WeakPolarHBondContact CG-O 3.33Å; Q76-G80 VanDerWaalsContact NE2-CA 3.34Å; Q76-G80 PolarHBondContact NE2-O 3.09Å; C77-G80 PolarHBondContact O-N 3Å; A78-G80 VanDerWaalsContact C-N 3.33Å |
| 81 | Y | 94.7 | Very high | 87.9 | Confident | 83 Ų | 83 | 69.2 Ų | 69.2 | 33% | 0.325 | 38% | 0.382 | S | S | . | . | trans | -69.6 | 137.8 | 176.8 | -70.2 | -50.9 | 0 | 0 | 0 | 112.6 | Q33 P35 G36 Q76 C77 C79 F83 | Q33-Y81 VanDerWaalsContact OE1-CD2 3.25Å; P35-Y81 WeakPolarHBondContact O-CE1 3.31Å; G36-Y81 CarbonylContact O-C 3.59Å; G36-Y81 WeakPolarHBondContact O-CA 3.43Å; Q76-Y81 CarbonylContact C-O 3.57Å; Q76-Y81 WeakPolarHBondContact CA-O 3.5Å; C77-Y81 PolarHBondContact N-O 3.42Å; C79-Y81 WeakPolarHBondContact SG-CD2 3.48Å; Y81-F83 WeakPolarHBondContact O-CD2 3.32Å; Y81-F83 WeakPolarHBondContact O-CE2 3.4Å | ||
| 82 | W | 96.3 | Very high | 85 | Confident | 61 Ų | 61 | 71.7 Ų | 71.7 | 23% | 0.231 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 148.7 | 177.3 | -69.2 | 84.5 | 0 | 0 | 0 | 111.7 | G36 T37 T38 P41 N42 N74 K75 Q76 | G36-W82 PolarHBondContact O-N 3.46Å; T37-W82 WeakPolarHBondContact O-CB 3.47Å; T38-W82 HydrophobicContact CG2-CD2 4.49Å; T38-W82 HydrophobicContact CG2-CZ2 4.45Å; T38-W82 PolarHBondContact OG1-NE1 3.49Å; T38-W82 VanDerWaalsContact OG1-NE1 3.11Å; P41-W82 HydrophobicContact CB-CB 3.89Å; N42-W82 WeakPolarHBondContact CB-O 3.26Å; N42-W82 PolarHBondContact N-O 2.93Å; N42-W82 PolarHBondContact ND2-O 2.63Å; N74-W82 HydrophobicContact CB-CE3 3.97Å; N74-W82 HydrophobicContact CB-CZ3 4.27Å; K75-W82 CarbonylContact O-C 3.57Å; K75-W82 WeakPolarHBondContact O-CA 3.47Å; Q76-W82 HydrophobicContact CB-CD2 4.04Å; Q76-W82 HydrophobicContact CB-CE3 4.11Å; Q76-W82 HydrophobicContact CB-CH2 4.28Å; Q76-W82 HydrophobicContact CB-CZ2 4.18Å; Q76-W82 HydrophobicContact CB-CZ3 4.24Å; Q76-W82 HydrophobicContact CG-CD2 4.07Å; Q76-W82 HydrophobicContact CG-CG 4.31Å; Q76-W82 HydrophobicContact CG-CZ2 4.23Å |
| 83 | F | 96.1 | Very high | 82.5 | Confident | 8 Ų | 8 | 80.3 Ų | 80.3 | 4% | 0.035 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 141.4 | -178.8 | -62.9 | -102.9 | 0 | 0 | 0 | 109.7 | N42 I44 V53 C55 M67 L69 N74 K75 C77 Y81 | N42-F83 HydrophobicContact CB-CD1 3.49Å; N42-F83 VanDerWaalsContact CB-CD1 3.49Å; N42-F83 HydrophobicContact CB-CE1 3.71Å; N42-F83 HydrophobicContact CB-CG 4.07Å; N42-F83 HydrophobicContact CB-CZ 4.45Å; N42-F83 CarbonylContact O-C 3.57Å; N42-F83 VanDerWaalsContact O-CA 3.28Å; N42-F83 WeakPolarHBondContact O-CA 3.41Å; I44-F83 HydrophobicContact CD1-CD1 4.43Å; I44-F83 HydrophobicContact CG1-CD1 4.26Å; V53-F83 HydrophobicContact CG1-CD1 4.28Å; V53-F83 HydrophobicContact CG1-CE1 4.25Å; C55-F83 HydrophobicContact CB-CZ 4.01Å; M67-F83 HydrophobicContact CE-CB 3.95Å; M67-F83 HydrophobicContact CE-CD1 3.78Å; M67-F83 HydrophobicContact CE-CD2 3.14Å; M67-F83 HydrophobicContact CE-CE1 4.04Å; M67-F83 HydrophobicContact CE-CE2 3.47Å; M67-F83 VanDerWaalsContact CE-CE2 3.47Å; M67-F83 HydrophobicContact CE-CG 3.34Å; M67-F83 HydrophobicContact CE-CZ 3.91Å; M67-F83 HydrophobicContact SD-CD2 4.38Å; L69-F83 HydrophobicContact CD1-CB 3.83Å; L69-F83 HydrophobicContact CD2-CB 3.86Å; N74-F83 CarbonylContact C-O 3.14Å; N74-F83 VanDerWaalsContact CA-O 3.3Å; N74-F83 WeakPolarHBondContact CA-O 3.42Å; K75-F83 PolarHBondContact N-O 3.5Å; K75-F83 PolarHBondContact O-N 3.43Å; C77-F83 HydrophobicContact CB-CD2 4.47Å; C77-F83 HydrophobicContact CB-CE2 3.79Å; Y81-F83 WeakPolarHBondContact O-CD2 3.32Å; Y81-F83 WeakPolarHBondContact O-CE2 3.4Å |
| 84 | Q | 94.8 | Very high | 81.8 | Confident | 65 Ų | 65 | 78.2 Ų | 78.2 | 30% | 0.304 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 129.4 | 178.2 | -178.1 | 172.5 | 16 | 0 | 0 | 109.3 | P41 N42 I44 N74 V86 | P41-Q84 HydrophobicContact CB-CB 4.16Å; P41-Q84 HydrophobicContact CG-CB 3.85Å; N42-Q84 PolarHBondContact O-N 3.48Å; I44-Q84 PolarHBondContact N-O 3Å; N74-Q84 VanDerWaalsContact OD1-CB 3.3Å; N74-Q84 WeakPolarHBondContact OD1-CB 3.44Å; N74-Q84 WeakPolarHBondContact OD1-CG 3.1Å; Q84-V86 HydrophobicContact CG-CG1 4.1Å |
| 85 | L | 94.6 | Very high | 81.1 | Confident | 4 Ų | 4 | 78.9 Ų | 78.9 | 2% | 0.021 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 119.9 | 172.6 | -163.6 | 69 | 0 | 0 | 0 | 109.6 | I44 R51 L69 K71 | I44-L85 HydrophobicContact CB-CD1 4.09Å; I44-L85 HydrophobicContact CG2-CD1 3.93Å; I44-L85 CarbonylContact O-C 3.26Å; I44-L85 WeakPolarHBondContact O-CA 3.47Å; I44-L85 WeakPolarHBondContact O-CD1 3.23Å; R51-L85 HydrophobicContact CB-CD1 3.72Å; R51-L85 HydrophobicContact CB-CD2 4.19Å; L69-L85 HydrophobicContact CB-CB 3.93Å; L69-L85 HydrophobicContact CB-CD1 4.31Å; L69-L85 HydrophobicContact CB-CD2 4.26Å; L69-L85 HydrophobicContact CB-CG 4.42Å; L69-L85 HydrophobicContact CD1-CD1 4.47Å; K71-L85 HydrophobicContact CG-CD2 3.94Å; K71-L85 HydrophobicContact CG-CG 4.12Å |
| 86 | V | 92.6 | Very high | 80.2 | Confident | 44 Ų | 44 | 78.6 Ų | 78.6 | 27% | 0.267 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 160.8 | 175.8 | -58.2 | 0 | 0 | 0 | 0 | 110.3 | V43 I44 V45 S46 Q84 | V43-V86 HydrophobicContact CG1-CB 4.31Å; V43-V86 HydrophobicContact CG1-CG1 3.85Å; V43-V86 HydrophobicContact CG1-CG2 3.46Å; V43-V86 VanDerWaalsContact CG1-CG2 3.46Å; I44-V86 PolarHBondContact O-N 3.04Å; V45-V86 CarbonylContact C-O 3.56Å; V45-V86 WeakPolarHBondContact CA-O 3.35Å; V45-V86 HydrophobicContact CB-CG2 4.46Å; V45-V86 HydrophobicContact CG1-CG2 3.76Å; S46-V86 PolarHBondContact N-O 2.99Å; Q84-V86 HydrophobicContact CG-CG1 4.1Å |
| 87 | D | 91.5 | Very high | 79.3 | Confident | 85 Ų | 85 | 77.4 Ų | 77.4 | 46% | 0.455 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 147.1 | 174.4 | -135.8 | -48.6 | 0 | 0 | 0 | 110.9 | K71 N89 | K71-D87 IonicContact NZ-OD1 3.66Å; K71-D87 PolarHBondContact NZ-OD1 3.38Å; K71-D87 IonicContact NZ-OD2 2.77Å; K71-D87 PolarHBondContact NZ-OD2 3.08Å; D87-N89 HydrophobicContact CB-CB 4.1Å; D87-N89 PolarHBondContact O-N 3.07Å |
| 88 | D | 83.6 | Confident | 78.2 | Confident | 34 Ų | 34 | 81.6 Ų | 81.6 | 18% | 0.182 | 44% | 0.442 | C | S | . | . | trans | -81.5 | 12.7 | 172.4 | 79.4 | -28.3 | 0 | 0 | 0 | 112.2 | R25 V45 S46 S47 | R25-D88 PolarHBondContact NH1-O 3.38Å; V45-D88 HydrophobicContact CB-CB 4.33Å; S46-D88 PolarHBondContact O-N 2.92Å; S47-D88 VanDerWaalsContact CA-CG 3.49Å; S47-D88 WeakPolarHBondContact CA-OD1 3.49Å; S47-D88 VanDerWaalsContact CB-CG 3.46Å; S47-D88 VanDerWaalsContact CB-OD1 3.31Å; S47-D88 WeakPolarHBondContact CB-OD1 3.48Å; S47-D88 WeakPolarHBondContact CB-OD2 3.08Å; S47-D88 PolarHBondContact OG-OD2 3.05Å | ||
| 89 | N | 69.1 | Low | 77.3 | Confident | 131 Ų | 131 | 81.2 Ų | 81.2 | 70% | 0.701 | 42% | 0.423 | S | S | * | . | P | Polyproline II helix | trans | -51.7 | 116.1 | -168.8 | -152.3 | 29.7 | 0 | 0 | 0 | 109.5 | D87 | D87-N89 HydrophobicContact CB-CB 4.1Å; D87-N89 PolarHBondContact O-N 3.07Å |
| 90 | P | 47 | Very low | 76.1 | Confident | 72 Ų | 72 | 83.4 Ų | 83.4 | 47% | 0.468 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 142.6 | -177.9 | 32.5 | -32.9 | 0 | 0 | 0 | 106.7 | P92 | P90-P92 WeakPolarHBondContact O-CD 3.46Š|
| 91 | E | 36.7 | Very low | 74.7 | Confident | 181 Ų | 181 | 87.5 Ų | 87.5 | 85% | 0.846 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -50.9 | 122.1 | 149.3 | -72.6 | -170.8 | 159.9 | 0 | 0 | 106.2 | F93 | E91-F93 PolarHBondContact O-N 2.95Š|
| 92 | P | 34.6 | Very low | 73 | Confident | 114 Ų | 114 | 87.9 Ų | 87.9 | 74% | 0.74 | 45% | 0.448 | S | S | * | . | P | Polyproline II helix | trans | -67.4 | 131.1 | 173.5 | 29.8 | -29.3 | 0 | 0 | 0 | 105.6 | P90 | P90-P92 WeakPolarHBondContact O-CD 3.46Š|
| 93 | F | 39 | Very low | 70.9 | Confident | 256 Ų | 256 | 90.4 Ų | 90.4 | 100% | 1.123 | 47% | 0.467 | S | S | * | . | trans | -51.1 | 0 | 159 | -51.9 | -83.2 | 0 | 0 | 0 | 110 | E91 | E91-F93 PolarHBondContact O-N 2.95Š|
Retrieved 93 of 93 residues in 48.7 ms
(Link to these results)