| 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 | 77 | Confident | 164 Ų | 164 | 111.8 Ų | 111.8 | 81% | 0.808 | 58% | 0.578 | S | S | * | * | 0 | 126.6 | 0 | -90.5 | 172.4 | 150.8 | 0 | 0 | 108.3 | Y3 | M1-Y3 HydrophobicContact CB-CE2 3.94Å; M1-Y3 WeakPolarHBondContact O-CD2 3.36Å; M1-Y3 WeakPolarHBondContact O-CE2 3.38Å | |||
| 2 | A | 64.9 | Low | 78.3 | Confident | 74 Ų | 74 | 105.9 Ų | 105.9 | 61% | 0.612 | 55% | 0.551 | S | S | * | * | trans | -74.3 | 131.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | T9 | A2-T9 VanDerWaalsContact C-OG1 3.29Å; A2-T9 PolarHBondContact O-N 2.94Å; A2-T9 PolarHBondContact O-OG1 2.8Å | ||
| 3 | Y | 62.3 | Low | 79.5 | Confident | 137 Ų | 137 | 103.3 Ų | 103.3 | 54% | 0.537 | 54% | 0.542 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 136.9 | 176.3 | -67.9 | -88 | 0 | 0 | 0 | 109.1 | M1 R7 R8 | M1-Y3 HydrophobicContact CB-CE2 3.94Å; M1-Y3 WeakPolarHBondContact O-CD2 3.36Å; M1-Y3 WeakPolarHBondContact O-CE2 3.38Å; Y3-R7 WeakPolarHBondContact CA-O 3.48Å; Y3-R7 WeakPolarHBondContact CD1-O 3.15Å; Y3-R8 HydrophobicContact CE1-CG 4.19Å |
| 4 | V | 69.1 | Low | 80.4 | Confident | 77 Ų | 77 | 106.6 Ų | 106.6 | 47% | 0.467 | 55% | 0.55 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120 | 127.2 | 165.7 | 177.4 | 0 | 0 | 0 | 0 | 105 | H6 R7 | V4-H6 VanDerWaalsContact C-N 3.28Å; V4-H6 PolarHBondContact O-N 2.64Å; V4-R7 PolarHBondContact N-O 2.68Å; V4-R7 PolarHBondContact O-N 3.45Å |
| 5 | T | 75.3 | Confident | 81.1 | Confident | 111 Ų | 111 | 104 Ų | 104 | 68% | 0.681 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.7 | 41.6 | 179.5 | 57.4 | 0 | 0 | 0 | 0 | 114.5 | R7 | T5-R7 PolarHBondContact O-N 3.31Å; T5-R7 VanDerWaalsContact O-N 3.13Å |
| 6 | H | 80.1 | Confident | 81.9 | Confident | 186 Ų | 186 | 105.9 Ų | 105.9 | 86% | 0.861 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.8 | 9.3 | -178.2 | -52.4 | -83.4 | 0 | 0 | 0 | 115.9 | V4 | V4-H6 VanDerWaalsContact C-N 3.28Å; V4-H6 PolarHBondContact O-N 2.64Å |
| 7 | R | 82.6 | Confident | 82.6 | Confident | 139 Ų | 139 | 103.1 Ų | 103.1 | 53% | 0.525 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 151.9 | 172.3 | -64 | -172.3 | -176.8 | -170.6 | 1.8 | 110.6 | Y3 V4 T5 T9 D15 | Y3-R7 WeakPolarHBondContact CA-O 3.48Å; Y3-R7 WeakPolarHBondContact CD1-O 3.15Å; V4-R7 PolarHBondContact N-O 2.68Å; V4-R7 PolarHBondContact O-N 3.45Å; T5-R7 PolarHBondContact O-N 3.31Å; T5-R7 VanDerWaalsContact O-N 3.13Å; R7-T9 PolarHBondContact O-N 2.77Å; R7-D15 IonicContact NH1-OD2 3.23Å; R7-D15 PolarHBondContact NH1-OD2 3.25Å; R7-D15 VanDerWaalsContact NH1-OD2 3.13Å |
| 8 | R | 88.1 | Confident | 83.2 | Confident | 134 Ų | 134 | 102.6 Ų | 102.6 | 51% | 0.506 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 134.2 | 170.1 | -68.4 | 179.7 | 170.1 | -168.8 | -1.1 | 108.1 | Y3 A10 D11 T12 | Y3-R8 HydrophobicContact CE1-CG 4.19Å; R8-A10 PolarHBondContact O-N 2.93Å; R8-D11 PolarHBondContact O-N 2.74Å; R8-T12 PolarHBondContact O-N 2.83Å; R8-T12 PolarHBondContact O-OG1 2.92Å |
| 9 | T | 88.7 | Confident | 83.6 | Confident | 54 Ų | 54 | 101.2 Ų | 101.2 | 33% | 0.331 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -51.8 | -36.9 | -179.5 | -60.1 | 0 | 0 | 0 | 0 | 112.5 | A2 R7 D11 T12 V13 | A2-T9 VanDerWaalsContact C-OG1 3.29Å; A2-T9 PolarHBondContact O-N 2.94Å; A2-T9 PolarHBondContact O-OG1 2.8Å; R7-T9 PolarHBondContact O-N 2.77Å; T9-D11 PolarHBondContact O-N 2.75Å; T9-T12 PolarHBondContact O-N 3.5Å; T9-V13 HydrophobicContact CG2-CG2 4.25Å; T9-V13 VanDerWaalsContact O-CG2 3.26Å; T9-V13 WeakPolarHBondContact O-CG2 3.43Å; T9-V13 PolarHBondContact O-N 2.86Å |
| 10 | A | 91.3 | Very high | 84.2 | Confident | 73 Ų | 73 | 102.6 Ų | 102.6 | 60% | 0.603 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.2 | -42.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | R8 V13 K14 | R8-A10 PolarHBondContact O-N 2.93Å; A10-V13 PolarHBondContact O-N 2.95Å; A10-K14 WeakPolarHBondContact O-CB 3.45Å; A10-K14 PolarHBondContact O-N 3.42Å |
| 11 | D | 91.7 | Very high | 84.7 | Confident | 81 Ų | 81 | 102.5 Ų | 102.5 | 43% | 0.433 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.5 | -42.8 | 179.1 | -62 | -35.8 | 0 | 0 | 0 | 110.4 | R8 T9 V13 K14 D15 | R8-D11 PolarHBondContact O-N 2.74Å; T9-D11 PolarHBondContact O-N 2.75Å; D11-V13 VanDerWaalsContact C-N 3.34Å; D11-V13 PolarHBondContact O-N 2.98Å; D11-K14 WeakPolarHBondContact O-CB 3.37Å; D11-K14 PolarHBondContact O-N 3.3Å; D11-K14 VanDerWaalsContact O-N 3.16Å; D11-D15 PolarHBondContact O-N 2.89Å |
| 12 | T | 92.5 | Very high | 86.5 | Confident | 41 Ų | 41 | 96 Ų | 96 | 25% | 0.252 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.5 | -42.1 | 175.6 | -52.4 | 0 | 0 | 0 | 0 | 112 | R8 T9 D15 F16 | R8-T12 PolarHBondContact O-N 2.83Å; R8-T12 PolarHBondContact O-OG1 2.92Å; T9-T12 PolarHBondContact O-N 3.5Å; T12-D15 PolarHBondContact O-N 3.42Å; T12-F16 VanDerWaalsContact O-CB 3.3Å; T12-F16 WeakPolarHBondContact O-CB 3.38Å; T12-F16 PolarHBondContact O-N 2.81Å |
| 13 | V | 93.5 | Very high | 87.7 | Confident | 72 Ų | 72 | 96 Ų | 96 | 44% | 0.436 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.7 | -40.6 | 176 | 170.2 | 0 | 0 | 0 | 0 | 110.9 | T9 A10 D11 F16 L17 | T9-V13 HydrophobicContact CG2-CG2 4.25Å; T9-V13 VanDerWaalsContact O-CG2 3.26Å; T9-V13 WeakPolarHBondContact O-CG2 3.43Å; T9-V13 PolarHBondContact O-N 2.86Å; A10-V13 PolarHBondContact O-N 2.95Å; D11-V13 VanDerWaalsContact C-N 3.34Å; D11-V13 PolarHBondContact O-N 2.98Å; V13-F16 PolarHBondContact O-N 2.87Å; V13-L17 HydrophobicContact CG1-CD1 3.85Å; V13-L17 HydrophobicContact CG1-CG 4.27Å; V13-L17 WeakPolarHBondContact O-CB 3.27Å; V13-L17 VanDerWaalsContact O-CG 3.25Å; V13-L17 WeakPolarHBondContact O-CG 3.25Å; V13-L17 PolarHBondContact O-N 3.43Å |
| 14 | K | 92.6 | Very high | 89.1 | Confident | 150 Ų | 150 | 93.2 Ų | 93.2 | 65% | 0.652 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -62.5 | -47.3 | 177.6 | -174.7 | -179.1 | 177.6 | -178.7 | 0 | 111.7 | A10 D11 L17 M18 | A10-K14 WeakPolarHBondContact O-CB 3.45Å; A10-K14 PolarHBondContact O-N 3.42Å; D11-K14 WeakPolarHBondContact O-CB 3.37Å; D11-K14 PolarHBondContact O-N 3.3Å; D11-K14 VanDerWaalsContact O-N 3.16Å; K14-L17 PolarHBondContact O-N 3.4Å; K14-M18 WeakPolarHBondContact O-CB 3.31Å; K14-M18 PolarHBondContact O-N 2.93Å |
| 15 | D | 91 | Very high | 90.1 | Very high | 67 Ų | 67 | 94 Ų | 94 | 36% | 0.358 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.4 | -44.4 | 177.5 | -74.5 | -12.7 | 0 | 0 | 0 | 111.5 | R7 D11 T12 M18 T19 | R7-D15 IonicContact NH1-OD2 3.23Å; R7-D15 PolarHBondContact NH1-OD2 3.25Å; R7-D15 VanDerWaalsContact NH1-OD2 3.13Å; D11-D15 PolarHBondContact O-N 2.89Å; T12-D15 PolarHBondContact O-N 3.42Å; D15-M18 PolarHBondContact O-N 3.49Å; D15-T19 PolarHBondContact O-N 2.81Å; D15-T19 PolarHBondContact O-OG1 3.15Å |
| 16 | F | 92.8 | Very high | 90.9 | Very high | 134 Ų | 134 | 94 Ų | 94 | 59% | 0.588 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -59.7 | -48.8 | 176 | 176 | -96.6 | 0 | 0 | 0 | 111.7 | T12 V13 M18 T19 Y20 | T12-F16 VanDerWaalsContact O-CB 3.3Å; T12-F16 WeakPolarHBondContact O-CB 3.38Å; T12-F16 PolarHBondContact O-N 2.81Å; V13-F16 PolarHBondContact O-N 2.87Å; F16-M18 VanDerWaalsContact C-N 3.33Å; F16-M18 PolarHBondContact O-N 2.87Å; F16-T19 PolarHBondContact O-N 3.05Å; F16-Y20 WeakPolarHBondContact O-CB 3.26Å; F16-Y20 PolarHBondContact O-N 2.97Å |
| 17 | L | 94.1 | Very high | 91.4 | Very high | 58 Ų | 58 | 86.5 Ų | 86.5 | 30% | 0.304 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64 | -38 | 179.8 | -73.6 | 174.7 | 0 | 0 | 0 | 112.1 | V13 K14 T19 R21 | V13-L17 HydrophobicContact CG1-CD1 3.85Å; V13-L17 HydrophobicContact CG1-CG 4.27Å; V13-L17 WeakPolarHBondContact O-CB 3.27Å; V13-L17 VanDerWaalsContact O-CG 3.25Å; V13-L17 WeakPolarHBondContact O-CG 3.25Å; V13-L17 PolarHBondContact O-N 3.43Å; K14-L17 PolarHBondContact O-N 3.4Å; L17-T19 VanDerWaalsContact C-N 3.35Å; L17-R21 VanDerWaalsContact O-CB 3.24Å; L17-R21 WeakPolarHBondContact O-CB 3.37Å; L17-R21 WeakPolarHBondContact O-CD 3.49Å; L17-R21 WeakPolarHBondContact O-CG 3.3Å; L17-R21 PolarHBondContact O-N 2.91Å |
| 18 | M | 92.8 | Very high | 91.7 | Very high | 95 Ų | 95 | 80.8 Ų | 80.8 | 47% | 0.468 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 175.9 | -172.8 | -102.6 | -85.5 | 0 | 0 | 111.2 | K14 D15 F16 S22 T43 | K14-M18 WeakPolarHBondContact O-CB 3.31Å; K14-M18 PolarHBondContact O-N 2.93Å; D15-M18 PolarHBondContact O-N 3.49Å; F16-M18 VanDerWaalsContact C-N 3.33Å; F16-M18 PolarHBondContact O-N 2.87Å; M18-S22 WeakPolarHBondContact O-CB 3.37Å; M18-S22 PolarHBondContact O-N 3.42Å; M18-S22 VanDerWaalsContact O-N 3.16Å; M18-S22 PolarHBondContact O-OG 3.05Å; M18-T43 HydrophobicContact SD-CG2 4.11Å |
| 19 | T | 92.5 | Very high | 91.7 | Very high | 76 Ų | 76 | 76.7 Ų | 76.7 | 47% | 0.466 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.4 | -50.1 | 177.4 | -53.3 | 0 | 0 | 0 | 0 | 111.4 | D15 F16 L17 R21 S22 T23 | D15-T19 PolarHBondContact O-N 2.81Å; D15-T19 PolarHBondContact O-OG1 3.15Å; F16-T19 PolarHBondContact O-N 3.05Å; L17-T19 VanDerWaalsContact C-N 3.35Å; T19-R21 VanDerWaalsContact C-N 3.33Å; T19-R21 PolarHBondContact O-N 3.06Å; T19-S22 PolarHBondContact O-N 2.92Å; T19-S22 PolarHBondContact O-OG 3.36Å; T19-T23 WeakPolarHBondContact O-CB 3.45Å; T19-T23 PolarHBondContact O-N 2.93Å; T19-T23 PolarHBondContact O-OG1 2.79Å |
| 20 | Y | 94.4 | Very high | 91.8 | Very high | 129 Ų | 129 | 74.5 Ų | 74.5 | 51% | 0.506 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -58.2 | -43.9 | 178.7 | 179.3 | -108.6 | 0 | 0 | 0 | 111.8 | F16 S22 P32 | F16-Y20 WeakPolarHBondContact O-CB 3.26Å; F16-Y20 PolarHBondContact O-N 2.97Å; Y20-S22 PolarHBondContact O-N 3.29Å; Y20-P32 HydrophobicContact CD1-CG 4.21Å; Y20-P32 HydrophobicContact CE1-CB 4.21Å; Y20-P32 HydrophobicContact CE1-CG 3.91Å; Y20-P32 VanDerWaalsContact O-CD 3.23Å; Y20-P32 WeakPolarHBondContact O-CD 3.41Å; Y20-P32 VanDerWaalsContact O-CG 3.28Å; Y20-P32 WeakPolarHBondContact O-CG 3.49Å |
| 21 | R | 94.2 | Very high | 91.8 | Very high | 101 Ų | 101 | 71.6 Ų | 71.6 | 38% | 0.381 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -72.2 | -24 | -178.1 | -72.7 | 171.5 | 174.6 | 155.1 | -1.5 | 114.4 | L17 T19 T31 S33 L41 | L17-R21 VanDerWaalsContact O-CB 3.24Å; L17-R21 WeakPolarHBondContact O-CB 3.37Å; L17-R21 WeakPolarHBondContact O-CD 3.49Å; L17-R21 WeakPolarHBondContact O-CG 3.3Å; L17-R21 PolarHBondContact O-N 2.91Å; T19-R21 VanDerWaalsContact C-N 3.33Å; T19-R21 PolarHBondContact O-N 3.06Å; R21-T31 VanDerWaalsContact O-CB 3.32Å; R21-T31 WeakPolarHBondContact O-CB 3.23Å; R21-T31 PolarHBondContact O-OG1 2.78Å; R21-S33 WeakPolarHBondContact O-CB 3.41Å; R21-S33 PolarHBondContact O-N 3.11Å; R21-S33 VanDerWaalsContact O-N 3.09Å; R21-S33 PolarHBondContact O-OG 2.68Å; R21-L41 HydrophobicContact CB-CD1 3.56Å |
| 22 | S | 91.9 | Very high | 91.8 | Very high | 27 Ų | 27 | 68.5 Ų | 68.5 | 19% | 0.189 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -98.6 | -12.3 | -179.2 | 57 | 0 | 0 | 0 | 0 | 113.8 | M18 T19 Y20 T31 T43 | M18-S22 WeakPolarHBondContact O-CB 3.37Å; M18-S22 PolarHBondContact O-N 3.42Å; M18-S22 VanDerWaalsContact O-N 3.16Å; M18-S22 PolarHBondContact O-OG 3.05Å; T19-S22 PolarHBondContact O-N 2.92Å; T19-S22 PolarHBondContact O-OG 3.36Å; Y20-S22 PolarHBondContact O-N 3.29Å; S22-T31 VanDerWaalsContact O-CG2 3.27Å; S22-T31 WeakPolarHBondContact O-CG2 3.23Å; S22-T43 VanDerWaalsContact CB-CG2 3.47Å |
| 23 | T | 90.7 | Very high | 91.8 | Very high | 73 Ų | 73 | 66.6 Ų | 66.6 | 45% | 0.448 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -90.3 | 125.9 | 179.5 | -55 | 0 | 0 | 0 | 0 | 110.9 | T19 H25 P32 | T19-T23 WeakPolarHBondContact O-CB 3.45Å; T19-T23 PolarHBondContact O-N 2.93Å; T19-T23 PolarHBondContact O-OG1 2.79Å; T23-H25 PolarHBondContact O-N 2.88Å; T23-P32 WeakPolarHBondContact O-CD 3.37Å |
| 24 | P | 90.9 | Very high | 91.7 | Very high | 80 Ų | 80 | 64.6 Ų | 64.6 | 52% | 0.519 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 132.7 | 174.5 | -24.2 | 34.4 | 0 | 0 | 0 | 112.4 | T31 | P24-T31 HydrophobicContact CG-CG2 3.96Š|
| 25 | H | 91.4 | Very high | 91.6 | Very high | 92 Ų | 92 | 61 Ų | 61 | 43% | 0.426 | 33% | 0.334 | S | S | . | . | P | Polyproline II helix | trans | -80.5 | 140.6 | 175.1 | -175.2 | -96.5 | 0 | 0 | 0 | 110.8 | T23 V27 P28 G29 A30 | T23-H25 PolarHBondContact O-N 2.88Å; H25-V27 VanDerWaalsContact C-N 3.25Å; H25-V27 PolarHBondContact ND1-N 2.97Å; H25-V27 PolarHBondContact O-N 3.46Å; H25-V27 VanDerWaalsContact O-N 3.13Å; H25-P28 HydrophobicContact CB-CG 3.9Å; H25-P28 WeakPolarHBondContact ND1-CD 3.32Å; H25-P28 WeakPolarHBondContact O-CD 3.46Å; H25-G29 VanDerWaalsContact O-CA 3.26Å; H25-G29 WeakPolarHBondContact O-CA 3.41Å; H25-G29 PolarHBondContact O-N 2.79Å; H25-A30 PolarHBondContact N-O 3.06Å |
| 26 | C | 91 | Very high | 91.7 | Very high | 111 Ų | 111 | 64 Ų | 64 | 75% | 0.75 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -30.7 | -171.7 | 63.1 | 0 | 0 | 0 | 0 | 114.5 | ||
| 27 | V | 90.2 | Very high | 91.5 | Very high | 30 Ų | 30 | 63 Ų | 63 | 18% | 0.182 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -66.3 | 179.7 | 179.1 | 0 | 0 | 0 | 0 | 111.8 | H25 G29 K62 V63 R66 | H25-V27 VanDerWaalsContact C-N 3.25Å; H25-V27 PolarHBondContact ND1-N 2.97Å; H25-V27 PolarHBondContact O-N 3.46Å; H25-V27 VanDerWaalsContact O-N 3.13Å; V27-G29 VanDerWaalsContact C-N 3.32Å; V27-G29 PolarHBondContact O-N 2.92Å; V27-K62 WeakPolarHBondContact O-CD 3.44Å; V27-K62 WeakPolarHBondContact O-CE 3.29Å; V27-K62 PolarHBondContact O-NZ 3.21Å; V27-V63 HydrophobicContact CG1-CG2 4.2Å; V27-R66 HydrophobicContact CB-CG 4.49Å; V27-R66 HydrophobicContact CG1-CB 3.68Å; V27-R66 HydrophobicContact CG1-CG 3.8Å; V27-R66 HydrophobicContact CG2-CG 3.83Å |
| 28 | P | 89.1 | Confident | 91.2 | Very high | 18 Ų | 18 | 63.1 Ų | 63.1 | 12% | 0.117 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -23.8 | -178.7 | 31.8 | -35.5 | 0 | 0 | 0 | 112.8 | H25 A30 L35 I59 V63 | H25-P28 HydrophobicContact CB-CG 3.9Å; H25-P28 WeakPolarHBondContact ND1-CD 3.32Å; H25-P28 WeakPolarHBondContact O-CD 3.46Å; P28-A30 HydrophobicContact CB-CB 4.41Å; P28-A30 PolarHBondContact O-N 3.2Å; P28-L35 HydrophobicContact CG-CD1 4.34Å; P28-I59 HydrophobicContact CB-CG2 3.65Å; P28-V63 HydrophobicContact CB-CG2 4.22Å |
| 29 | G | 88.7 | Confident | 90.9 | Very high | 49 Ų | 49 | 66.7 Ų | 66.7 | 51% | 0.505 | 37% | 0.369 | S | S | . | . | trans | 71.7 | 2.3 | -171 | 0 | 0 | 0 | 0 | 0 | 113.8 | H25 V27 | H25-G29 VanDerWaalsContact O-CA 3.26Å; H25-G29 WeakPolarHBondContact O-CA 3.41Å; H25-G29 PolarHBondContact O-N 2.79Å; V27-G29 VanDerWaalsContact C-N 3.32Å; V27-G29 PolarHBondContact O-N 2.92Å | ||
| 30 | A | 89.4 | Confident | 90.6 | Very high | 8 Ų | 8 | 65.5 Ų | 65.5 | 7% | 0.066 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -103.4 | 153.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | H25 P28 L34 L35 I59 | H25-A30 PolarHBondContact N-O 3.06Å; P28-A30 HydrophobicContact CB-CB 4.41Å; P28-A30 PolarHBondContact O-N 3.2Å; A30-L34 HydrophobicContact CB-CD2 4.13Å; A30-L35 HydrophobicContact CB-CD1 4.43Å; A30-L35 HydrophobicContact CB-CD2 3.78Å; A30-L35 HydrophobicContact CB-CG 4.02Å; A30-I59 HydrophobicContact CB-CD1 4.02Å |
| 31 | T | 91.5 | Very high | 90.3 | Very high | 12 Ų | 12 | 62.1 Ų | 62.1 | 7% | 0.074 | 35% | 0.352 | C | S | . | . | trans | -77.5 | 149.9 | 173.9 | 74.5 | 0 | 0 | 0 | 0 | 110.4 | R21 S22 P24 S33 L34 L35 | R21-T31 VanDerWaalsContact O-CB 3.32Å; R21-T31 WeakPolarHBondContact O-CB 3.23Å; R21-T31 PolarHBondContact O-OG1 2.78Å; S22-T31 VanDerWaalsContact O-CG2 3.27Å; S22-T31 WeakPolarHBondContact O-CG2 3.23Å; P24-T31 HydrophobicContact CG-CG2 3.96Å; T31-S33 PolarHBondContact O-N 2.89Å; T31-S33 PolarHBondContact OG1-OG 3.24Å; T31-L34 WeakPolarHBondContact O-CB 3.48Å; T31-L34 PolarHBondContact O-N 2.96Å; T31-L34 VanDerWaalsContact O-N 3.09Å; T31-L34 WeakPolarHBondContact OG1-CB 3.33Å; T31-L34 PolarHBondContact OG1-N 2.79Å; T31-L35 PolarHBondContact O-N 2.87Å | ||
| 32 | P | 93.5 | Very high | 89.9 | Confident | 16 Ų | 16 | 68.3 Ų | 68.3 | 10% | 0.104 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -59 | -31.4 | 174.6 | -25.9 | 34.7 | 0 | 0 | 0 | 113.4 | Y20 T23 L34 L35 L36 | Y20-P32 HydrophobicContact CD1-CG 4.21Å; Y20-P32 HydrophobicContact CE1-CB 4.21Å; Y20-P32 HydrophobicContact CE1-CG 3.91Å; Y20-P32 VanDerWaalsContact O-CD 3.23Å; Y20-P32 WeakPolarHBondContact O-CD 3.41Å; Y20-P32 VanDerWaalsContact O-CG 3.28Å; Y20-P32 WeakPolarHBondContact O-CG 3.49Å; T23-P32 WeakPolarHBondContact O-CD 3.37Å; P32-L34 VanDerWaalsContact C-N 3.32Å; P32-L34 PolarHBondContact O-N 3.25Å; P32-L35 PolarHBondContact O-N 2.89Å; P32-L36 WeakPolarHBondContact O-CB 3.45Å; P32-L36 WeakPolarHBondContact O-CG 3.37Å; P32-L36 PolarHBondContact O-N 2.82Å; P32-L36 VanDerWaalsContact O-N 3.07Å |
| 33 | S | 92.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -63.6 | -39.7 | 175.3 | 75.6 | 0 | 0 | 0 | 0 | 112.4 | R21 T31 H37 R39 L41 | R21-S33 WeakPolarHBondContact O-CB 3.41Å; R21-S33 PolarHBondContact O-N 3.11Å; R21-S33 VanDerWaalsContact O-N 3.09Å; R21-S33 PolarHBondContact O-OG 2.68Å; T31-S33 PolarHBondContact O-N 2.89Å; T31-S33 PolarHBondContact OG1-OG 3.24Å; S33-H37 WeakPolarHBondContact O-CB 3.4Å; S33-H37 PolarHBondContact O-N 2.82Å; S33-H37 PolarHBondContact O-ND1 3.39Å; S33-R39 CarbonylContact C-O 3.56Å; S33-R39 WeakPolarHBondContact CB-O 3.38Å; S33-R39 PolarHBondContact OG-O 2.9Å; S33-L41 PolarHBondContact OG-N 3.15Å |
| 34 | L | 90.5 | Very high | 89.3 | Confident | 31 Ų | 31 | 76.6 Ų | 76.6 | 16% | 0.162 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -67.4 | -41.6 | -179.4 | -175.7 | 61.9 | 0 | 0 | 0 | 110.7 | A30 T31 P32 G38 R39 T40 V54 | A30-L34 HydrophobicContact CB-CD2 4.13Å; T31-L34 WeakPolarHBondContact O-CB 3.48Å; T31-L34 PolarHBondContact O-N 2.96Å; T31-L34 VanDerWaalsContact O-N 3.09Å; T31-L34 WeakPolarHBondContact OG1-CB 3.33Å; T31-L34 PolarHBondContact OG1-N 2.79Å; P32-L34 VanDerWaalsContact C-N 3.32Å; P32-L34 PolarHBondContact O-N 3.25Å; L34-G38 WeakPolarHBondContact O-CA 3.33Å; L34-G38 PolarHBondContact O-N 3.07Å; L34-R39 WeakPolarHBondContact CA-O 3.39Å; L34-R39 PolarHBondContact N-O 3.32Å; L34-T40 HydrophobicContact CB-CG2 4.39Å; L34-T40 HydrophobicContact CD1-CG2 4.27Å; L34-T40 HydrophobicContact CD2-CG2 4.33Å; L34-V54 HydrophobicContact CD1-CG2 3.41Å; L34-V54 VanDerWaalsContact CD1-CG2 3.41Å; L34-V54 HydrophobicContact CD2-CG2 3.72Å; L34-V54 HydrophobicContact CG-CG2 3.5Å |
| 35 | L | 91.4 | Very high | 88.8 | Confident | 75 Ų | 75 | 80.5 Ų | 80.5 | 39% | 0.393 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -68.7 | -36.2 | 178.3 | -62.2 | 178.1 | 0 | 0 | 0 | 113.1 | P28 A30 T31 P32 I59 | P28-L35 HydrophobicContact CG-CD1 4.34Å; A30-L35 HydrophobicContact CB-CD1 4.43Å; A30-L35 HydrophobicContact CB-CD2 3.78Å; A30-L35 HydrophobicContact CB-CG 4.02Å; T31-L35 PolarHBondContact O-N 2.87Å; P32-L35 PolarHBondContact O-N 2.89Å; L35-I59 HydrophobicContact CD2-CD1 3.85Å; L35-I59 HydrophobicContact CD2-CG2 3.95Å |
| 36 | L | 91.2 | Very high | 88 | Confident | 128 Ų | 128 | 79.2 Ų | 79.2 | 67% | 0.67 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -86.9 | -36.8 | -177.5 | -70 | 171.7 | 0 | 0 | 0 | 113.6 | P32 | P32-L36 WeakPolarHBondContact O-CB 3.45Å; P32-L36 WeakPolarHBondContact O-CG 3.37Å; P32-L36 PolarHBondContact O-N 2.82Å; P32-L36 VanDerWaalsContact O-N 3.07Å |
| 37 | H | 89.8 | Confident | 87 | Confident | 115 Ų | 115 | 77.4 Ų | 77.4 | 53% | 0.532 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -124.3 | 1.9 | -169.2 | -47.3 | 97.8 | 0 | 0 | 0 | 113.7 | S33 R39 | S33-H37 WeakPolarHBondContact O-CB 3.4Å; S33-H37 PolarHBondContact O-N 2.82Å; S33-H37 PolarHBondContact O-ND1 3.39Å; H37-R39 HydrophobicContact CB-CG 4.21Å; H37-R39 PolarHBondContact O-N 3.31Å |
| 38 | G | 87.3 | Confident | 85.9 | Confident | 59 Ų | 59 | 82.6 Ų | 82.6 | 61% | 0.608 | 44% | 0.436 | S | S | * | . | S | Bend | trans | 70.1 | 8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | L34 | L34-G38 WeakPolarHBondContact O-CA 3.33Å; L34-G38 PolarHBondContact O-N 3.07Å |
| 39 | R | 87.3 | Confident | 84.7 | Confident | 171 Ų | 171 | 86.3 Ų | 86.3 | 65% | 0.645 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -137.7 | 148.5 | -179 | 63.5 | -179.1 | 178.1 | 166.3 | -1.5 | 113.2 | S33 L34 H37 | S33-R39 CarbonylContact C-O 3.56Å; S33-R39 WeakPolarHBondContact CB-O 3.38Å; S33-R39 PolarHBondContact OG-O 2.9Å; L34-R39 WeakPolarHBondContact CA-O 3.39Å; L34-R39 PolarHBondContact N-O 3.32Å; H37-R39 HydrophobicContact CB-CG 4.21Å; H37-R39 PolarHBondContact O-N 3.31Å |
| 40 | T | 85.9 | Confident | 83.4 | Confident | 51 Ų | 51 | 88.1 Ų | 88.1 | 31% | 0.313 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -81.2 | 139.5 | 170.6 | 54.5 | 0 | 0 | 0 | 0 | 110.3 | L34 H46 | L34-T40 HydrophobicContact CB-CG2 4.39Å; L34-T40 HydrophobicContact CD1-CG2 4.27Å; L34-T40 HydrophobicContact CD2-CG2 4.33Å; T40-H46 PolarHBondContact OG1-NE2 2.93Å |
| 41 | L | 87.7 | Confident | 82.3 | Confident | 58 Ų | 58 | 92.6 Ų | 92.6 | 30% | 0.304 | 50% | 0.5 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 135.1 | 171.5 | -70 | 175.2 | 0 | 0 | 0 | 109.8 | R21 S33 T43 H46 | R21-L41 HydrophobicContact CB-CD1 3.56Å; S33-L41 PolarHBondContact OG-N 3.15Å; L41-T43 PolarHBondContact O-N 3.46Å; L41-H46 PolarHBondContact O-CD2 3.45Å; L41-H46 VanDerWaalsContact O-CD2 3.29Å |
| 42 | R | 85.2 | Confident | 81.2 | Confident | 231 Ų | 231 | 102.2 Ų | 102.2 | 87% | 0.872 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -77.5 | 116.3 | 172.3 | -64.3 | 178.4 | 70.6 | 150.8 | 0.9 | 109 | ||
| 43 | T | 87.1 | Confident | 80.3 | Confident | 46 Ų | 46 | 107.7 Ų | 107.7 | 28% | 0.282 | 57% | 0.57 | S | S | . | * | trans | -106.5 | 168.9 | 171.8 | 63 | 0 | 0 | 0 | 0 | 110 | M18 S22 L41 L45 H46 | M18-T43 HydrophobicContact SD-CG2 4.11Å; S22-T43 VanDerWaalsContact CB-CG2 3.47Å; L41-T43 PolarHBondContact O-N 3.46Å; T43-L45 PolarHBondContact O-N 2.93Å; T43-L45 VanDerWaalsContact O-N 3.13Å; T43-H46 WeakPolarHBondContact O-CB 3.29Å; T43-H46 PolarHBondContact O-N 3.39Å; T43-H46 VanDerWaalsContact O-N 3.1Å; T43-H46 PolarHBondContact OG1-N 3.45Å | ||
| 44 | K | 83.2 | Confident | 79.7 | Confident | 228 Ų | 228 | 110.3 Ų | 110.3 | 99% | 0.991 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.4 | -24.7 | 177.7 | -66.1 | -175.2 | 178.1 | -177.6 | 0 | 113.4 | ||
| 45 | L | 81.1 | Confident | 79.6 | Confident | 161 Ų | 161 | 113.7 Ų | 113.7 | 84% | 0.843 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | 16.3 | -179.5 | -160.7 | 67 | 0 | 0 | 0 | 112.4 | T43 P47 | T43-L45 PolarHBondContact O-N 2.93Å; T43-L45 VanDerWaalsContact O-N 3.13Å; L45-P47 WeakPolarHBondContact O-CD 3.49Å |
| 46 | H | 74.4 | Confident | 79.5 | Confident | 65 Ų | 65 | 113.3 Ų | 113.3 | 30% | 0.301 | 60% | 0.602 | S | S | . | * | trans | -70.1 | 119.3 | -176.4 | -171.8 | -75 | 0 | 0 | 0 | 110.1 | T40 L41 T43 | T40-H46 PolarHBondContact OG1-NE2 2.93Å; L41-H46 PolarHBondContact O-CD2 3.45Å; L41-H46 VanDerWaalsContact O-CD2 3.29Å; T43-H46 WeakPolarHBondContact O-CB 3.29Å; T43-H46 PolarHBondContact O-N 3.39Å; T43-H46 VanDerWaalsContact O-N 3.1Å; T43-H46 PolarHBondContact OG1-N 3.45Å | ||
| 47 | P | 69.3 | Low | 79.6 | Confident | 74 Ų | 74 | 116 Ų | 116 | 48% | 0.481 | 60% | 0.604 | S | S | . | * | trans | -67.1 | 147 | 177.6 | 30 | -34.8 | 0 | 0 | 0 | 109.6 | L45 V49 | L45-P47 WeakPolarHBondContact O-CD 3.49Å; P47-V49 HydrophobicContact CB-CG2 3.96Å; P47-V49 HydrophobicContact CG-CG2 3.98Å; P47-V49 PolarHBondContact O-N 3.26Å | ||
| 48 | P | 67.1 | Low | 79.8 | Confident | 139 Ų | 139 | 112.6 Ų | 112.6 | 90% | 0.903 | 60% | 0.596 | S | S | * | * | trans | -74.7 | 66.9 | 176.8 | 32.4 | -35 | 0 | 0 | 0 | 109.9 | ||||
| 49 | V | 63.9 | Low | 80 | Confident | 95 Ų | 95 | 111.1 Ų | 111.1 | 58% | 0.576 | 57% | 0.573 | S | S | * | * | trans | -101.3 | 127.8 | 174.5 | -173.6 | 0 | 0 | 0 | 0 | 107.6 | P47 S51 | P47-V49 HydrophobicContact CB-CG2 3.96Å; P47-V49 HydrophobicContact CG-CG2 3.98Å; P47-V49 PolarHBondContact O-N 3.26Å; V49-S51 PolarHBondContact O-N 2.86Å | ||
| 50 | A | 63.1 | Low | 80.3 | Confident | 87 Ų | 87 | 110.8 Ų | 110.8 | 72% | 0.719 | 57% | 0.572 | S | S | * | * | trans | -54.3 | 135.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110 | R52 | A50-R52 PolarHBondContact O-N 2.83Š| ||
| 51 | S | 66.1 | Low | 80.8 | Confident | 103 Ų | 103 | 111.7 Ų | 111.7 | 72% | 0.72 | 57% | 0.573 | S | S | * | * | trans | -56.6 | 110.5 | 174.7 | 52.5 | 0 | 0 | 0 | 0 | 109.4 | V49 | V49-S51 PolarHBondContact O-N 2.86Š| ||
| 52 | R | 68.8 | Low | 81.1 | Confident | 214 Ų | 214 | 113.8 Ų | 113.8 | 81% | 0.808 | 58% | 0.58 | S | S | * | * | trans | -71.8 | 140.8 | 173.5 | -76.2 | 179.9 | 161.9 | -179.4 | -5.2 | 109.3 | A50 V54 | A50-R52 PolarHBondContact O-N 2.83Å; R52-V54 PolarHBondContact O-N 2.89Å | ||
| 53 | P | 73.6 | Confident | 81.6 | Confident | 131 Ų | 131 | 104.7 Ų | 104.7 | 85% | 0.851 | 55% | 0.549 | S | S | * | . | trans | -58.4 | 132.8 | 172.7 | 24.9 | -32.8 | 0 | 0 | 0 | 109.4 | ||||
| 54 | V | 79 | Confident | 82.1 | Confident | 55 Ų | 55 | 105.6 Ų | 105.6 | 33% | 0.333 | 56% | 0.555 | S | S | . | * | trans | -85.9 | 115.4 | -178.2 | -177.9 | 0 | 0 | 0 | 0 | 108.5 | L34 R52 D56 I59 | L34-V54 HydrophobicContact CD1-CG2 3.41Å; L34-V54 VanDerWaalsContact CD1-CG2 3.41Å; L34-V54 HydrophobicContact CD2-CG2 3.72Å; L34-V54 HydrophobicContact CG-CG2 3.5Å; R52-V54 PolarHBondContact O-N 2.89Å; V54-D56 VanDerWaalsContact C-N 3.35Å; V54-D56 PolarHBondContact O-N 2.91Å; V54-D56 VanDerWaalsContact O-N 3.09Å; V54-I59 HydrophobicContact CG1-CD1 3.45Å; V54-I59 VanDerWaalsContact CG1-CD1 3.45Å | ||
| 55 | N | 88.8 | Confident | 82.7 | Confident | 102 Ų | 102 | 102.5 Ų | 102.5 | 55% | 0.545 | 54% | 0.537 | S | S | . | . | trans | -81.1 | 86.2 | 168.7 | -171.9 | -24.3 | 0 | 0 | 0 | 109.3 | R57 A58 I59 | N55-R57 PolarHBondContact O-N 2.85Å; N55-R57 PolarHBondContact OD1-N 3.38Å; N55-A58 HydrophobicContact CB-CB 3.95Å; N55-A58 PolarHBondContact O-N 3.22Å; N55-A58 VanDerWaalsContact O-N 3.16Å; N55-A58 PolarHBondContact OD1-N 2.89Å; N55-I59 WeakPolarHBondContact O-CG1 3.22Å; N55-I59 PolarHBondContact O-N 3.34Å | ||
| 56 | D | 90.7 | Very high | 83.4 | Confident | 66 Ų | 66 | 100.2 Ų | 100.2 | 35% | 0.353 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -57.1 | -38.4 | -177.6 | -173.9 | 45.5 | 0 | 0 | 0 | 112 | V54 I59 R60 | V54-D56 VanDerWaalsContact C-N 3.35Å; V54-D56 PolarHBondContact O-N 2.91Å; V54-D56 VanDerWaalsContact O-N 3.09Å; D56-I59 PolarHBondContact O-N 3.33Å; D56-R60 WeakPolarHBondContact O-CG 3.39Å; D56-R60 PolarHBondContact O-N 2.86Å; D56-R60 IonicContact OD1-NE 3.1Å; D56-R60 IonicContact OD2-CZ 3.77Å; D56-R60 IonicContact OD2-NE 3.3Å; D56-R60 PolarHBondContact OD2-NE 3.19Å; D56-R60 IonicContact OD2-NH2 2.68Å; D56-R60 PolarHBondContact OD2-NH2 3.27Å |
| 57 | R | 93 | Very high | 84.4 | Confident | 185 Ų | 185 | 103 Ų | 103 | 70% | 0.698 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.1 | -50 | 175.7 | -179.9 | 178.3 | 172.8 | 169.8 | 3.4 | 111.7 | N55 I59 R60 E61 | N55-R57 PolarHBondContact O-N 2.85Å; N55-R57 PolarHBondContact OD1-N 3.38Å; R57-I59 VanDerWaalsContact C-N 3.27Å; R57-I59 PolarHBondContact O-N 2.87Å; R57-R60 PolarHBondContact O-N 3.39Å; R57-E61 WeakPolarHBondContact CG-OE1 3.28Å; R57-E61 IonicContact CZ-OE1 3.06Å; R57-E61 IonicContact NE-OE1 3.13Å; R57-E61 PolarHBondContact NE-OE1 2.91Å; R57-E61 IonicContact NH2-OE1 2.72Å; R57-E61 WeakPolarHBondContact O-CG 3.47Å; R57-E61 PolarHBondContact O-N 3.04Å |
| 58 | A | 92.6 | Very high | 85.7 | Confident | 44 Ų | 44 | 104.7 Ų | 104.7 | 36% | 0.364 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.7 | -36.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N55 K62 | N55-A58 HydrophobicContact CB-CB 3.95Å; N55-A58 PolarHBondContact O-N 3.22Å; N55-A58 VanDerWaalsContact O-N 3.16Å; N55-A58 PolarHBondContact OD1-N 2.89Å; A58-K62 WeakPolarHBondContact O-CB 3.36Å; A58-K62 PolarHBondContact O-N 3.38Å |
| 59 | I | 92.3 | Very high | 87 | Confident | 27 Ų | 27 | 103.8 Ų | 103.8 | 14% | 0.138 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -64.8 | -48.9 | 175.2 | -68.7 | 177 | 0 | 0 | 0 | 110.8 | P28 A30 L35 V54 N55 D56 R57 E61 K62 V63 | P28-I59 HydrophobicContact CB-CG2 3.65Å; A30-I59 HydrophobicContact CB-CD1 4.02Å; L35-I59 HydrophobicContact CD2-CD1 3.85Å; L35-I59 HydrophobicContact CD2-CG2 3.95Å; V54-I59 HydrophobicContact CG1-CD1 3.45Å; V54-I59 VanDerWaalsContact CG1-CD1 3.45Å; N55-I59 WeakPolarHBondContact O-CG1 3.22Å; N55-I59 PolarHBondContact O-N 3.34Å; D56-I59 PolarHBondContact O-N 3.33Å; R57-I59 VanDerWaalsContact C-N 3.27Å; R57-I59 PolarHBondContact O-N 2.87Å; I59-E61 VanDerWaalsContact C-N 3.33Å; I59-E61 PolarHBondContact O-N 3.12Å; I59-K62 PolarHBondContact O-N 3.48Å; I59-V63 HydrophobicContact CG2-CG2 4.44Å; I59-V63 WeakPolarHBondContact O-CG2 3.36Å; I59-V63 PolarHBondContact O-N 2.94Å |
| 60 | R | 94.4 | Very high | 88.4 | Confident | 164 Ų | 164 | 102.7 Ų | 102.7 | 62% | 0.619 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -58.6 | -45.8 | 177.3 | -71.5 | 179.1 | -168.9 | -158.9 | 6.4 | 111.2 | D56 R57 K62 V63 T64 | D56-R60 WeakPolarHBondContact O-CG 3.39Å; D56-R60 PolarHBondContact O-N 2.86Å; D56-R60 IonicContact OD1-NE 3.1Å; D56-R60 IonicContact OD2-CZ 3.77Å; D56-R60 IonicContact OD2-NE 3.3Å; D56-R60 PolarHBondContact OD2-NE 3.19Å; D56-R60 IonicContact OD2-NH2 2.68Å; D56-R60 PolarHBondContact OD2-NH2 3.27Å; R57-R60 PolarHBondContact O-N 3.39Å; R60-K62 PolarHBondContact O-N 2.83Å; R60-V63 PolarHBondContact O-N 3.3Å; R60-T64 WeakPolarHBondContact O-CB 3.14Å; R60-T64 PolarHBondContact O-N 2.91Å; R60-T64 PolarHBondContact O-OG1 3.09Å; R60-T64 VanDerWaalsContact O-OG1 3.09Å |
| 61 | E | 95.6 | Very high | 89.7 | Confident | 70 Ų | 70 | 107 Ų | 107 | 33% | 0.327 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59 | -44.5 | 176.6 | -73 | 177 | -165 | 0 | 0 | 112 | R57 I59 V63 T64 R65 | R57-E61 WeakPolarHBondContact CG-OE1 3.28Å; R57-E61 IonicContact CZ-OE1 3.06Å; R57-E61 IonicContact NE-OE1 3.13Å; R57-E61 PolarHBondContact NE-OE1 2.91Å; R57-E61 IonicContact NH2-OE1 2.72Å; R57-E61 WeakPolarHBondContact O-CG 3.47Å; R57-E61 PolarHBondContact O-N 3.04Å; I59-E61 VanDerWaalsContact C-N 3.33Å; I59-E61 PolarHBondContact O-N 3.12Å; E61-V63 PolarHBondContact O-N 3.23Å; E61-T64 PolarHBondContact O-N 3.02Å; E61-R65 WeakPolarHBondContact O-CB 3.34Å; E61-R65 VanDerWaalsContact O-CG 3.29Å; E61-R65 WeakPolarHBondContact O-CG 3.47Å; E61-R65 PolarHBondContact O-N 3.42Å; E61-R65 IonicContact OE2-NH2 2.93Å; E61-R65 PolarHBondContact OE2-NH2 2.98Å |
| 62 | K | 94.3 | Very high | 90.8 | Very high | 103 Ų | 103 | 112 Ų | 112 | 45% | 0.448 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62 | -42.7 | 176.5 | -170.8 | 178.8 | -174.2 | -162.7 | 0 | 111.9 | V27 A58 I59 R60 R66 | V27-K62 WeakPolarHBondContact O-CD 3.44Å; V27-K62 WeakPolarHBondContact O-CE 3.29Å; V27-K62 PolarHBondContact O-NZ 3.21Å; A58-K62 WeakPolarHBondContact O-CB 3.36Å; A58-K62 PolarHBondContact O-N 3.38Å; I59-K62 PolarHBondContact O-N 3.48Å; R60-K62 PolarHBondContact O-N 2.83Å; K62-R66 WeakPolarHBondContact O-CB 3.35Å; K62-R66 PolarHBondContact O-N 3.33Å |
| 63 | V | 95.9 | Very high | 91.9 | Very high | 39 Ų | 39 | 106.6 Ų | 106.6 | 24% | 0.236 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -63.6 | -47.9 | 176.9 | 171.1 | 0 | 0 | 0 | 0 | 110.5 | V27 P28 I59 R60 E61 R66 Q67 | V27-V63 HydrophobicContact CG1-CG2 4.2Å; P28-V63 HydrophobicContact CB-CG2 4.22Å; I59-V63 HydrophobicContact CG2-CG2 4.44Å; I59-V63 WeakPolarHBondContact O-CG2 3.36Å; I59-V63 PolarHBondContact O-N 2.94Å; R60-V63 PolarHBondContact O-N 3.3Å; E61-V63 PolarHBondContact O-N 3.23Å; V63-R66 PolarHBondContact O-N 3Å; V63-Q67 HydrophobicContact CG1-CG 4.33Å; V63-Q67 WeakPolarHBondContact O-CG 3.47Å; V63-Q67 PolarHBondContact O-N 2.77Å |
| 64 | T | 96.6 | Very high | 92.5 | Very high | 65 Ų | 65 | 103.4 Ų | 103.4 | 40% | 0.399 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -58.8 | -49.8 | 177.4 | -62.6 | 0 | 0 | 0 | 0 | 111.3 | R60 E61 R66 Q67 E68 | R60-T64 WeakPolarHBondContact O-CB 3.14Å; R60-T64 PolarHBondContact O-N 2.91Å; R60-T64 PolarHBondContact O-OG1 3.09Å; R60-T64 VanDerWaalsContact O-OG1 3.09Å; E61-T64 PolarHBondContact O-N 3.02Å; T64-R66 VanDerWaalsContact C-N 3.27Å; T64-R66 PolarHBondContact O-N 3.4Å; T64-Q67 PolarHBondContact O-N 3.44Å; T64-Q67 VanDerWaalsContact O-N 3.12Å; T64-E68 HydrophobicContact CG2-CG 4.4Å; T64-E68 WeakPolarHBondContact O-CG 3.37Å; T64-E68 PolarHBondContact O-N 3.13Å |
| 65 | R | 96.6 | Very high | 92.8 | Very high | 163 Ų | 163 | 103 Ų | 103 | 62% | 0.615 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -56.4 | -41.8 | 176.3 | -71.2 | 177.9 | -149.4 | 176.1 | 8.1 | 111.9 | E61 Y69 | E61-R65 WeakPolarHBondContact O-CB 3.34Å; E61-R65 VanDerWaalsContact O-CG 3.29Å; E61-R65 WeakPolarHBondContact O-CG 3.47Å; E61-R65 PolarHBondContact O-N 3.42Å; E61-R65 IonicContact OE2-NH2 2.93Å; E61-R65 PolarHBondContact OE2-NH2 2.98Å; R65-Y69 WeakPolarHBondContact O-CB 3.44Å; R65-Y69 PolarHBondContact O-N 3.45Å |
| 66 | R | 96.2 | Very high | 92.5 | Very high | 113 Ų | 113 | 101.4 Ų | 101.4 | 43% | 0.426 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.8 | -41.9 | 178 | -176.4 | 58.7 | 174.4 | -173.5 | -1.5 | 111.9 | V27 K62 V63 T64 Y69 L70 | V27-R66 HydrophobicContact CB-CG 4.49Å; V27-R66 HydrophobicContact CG1-CB 3.68Å; V27-R66 HydrophobicContact CG1-CG 3.8Å; V27-R66 HydrophobicContact CG2-CG 3.83Å; K62-R66 WeakPolarHBondContact O-CB 3.35Å; K62-R66 PolarHBondContact O-N 3.33Å; V63-R66 PolarHBondContact O-N 3Å; T64-R66 VanDerWaalsContact C-N 3.27Å; T64-R66 PolarHBondContact O-N 3.4Å; R66-Y69 PolarHBondContact O-N 3.36Å; R66-L70 HydrophobicContact CG-CD1 4.22Å; R66-L70 WeakPolarHBondContact O-CB 2.89Å; R66-L70 VanDerWaalsContact O-CG 3.29Å; R66-L70 WeakPolarHBondContact O-CG 3.16Å; R66-L70 PolarHBondContact O-N 3.07Å |
| 67 | Q | 95.7 | Very high | 92 | Very high | 123 Ų | 123 | 105.2 Ų | 105.2 | 58% | 0.575 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -63.6 | -41.9 | 176.6 | -73.7 | 176.5 | -8.7 | 0 | 0 | 111.5 | V63 T64 L70 R71 | V63-Q67 HydrophobicContact CG1-CG 4.33Å; V63-Q67 WeakPolarHBondContact O-CG 3.47Å; V63-Q67 PolarHBondContact O-N 2.77Å; T64-Q67 PolarHBondContact O-N 3.44Å; T64-Q67 VanDerWaalsContact O-N 3.12Å; Q67-L70 PolarHBondContact O-N 3.16Å; Q67-R71 WeakPolarHBondContact O-CB 3.17Å; Q67-R71 PolarHBondContact O-N 3.23Å |
| 68 | E | 95.7 | Very high | 90.7 | Very high | 111 Ų | 111 | 103.2 Ų | 103.2 | 52% | 0.519 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.1 | -45.8 | 174.8 | -73.2 | 174.2 | 174.9 | 0 | 0 | 112.1 | T64 L70 R71 R72 | T64-E68 HydrophobicContact CG2-CG 4.4Å; T64-E68 WeakPolarHBondContact O-CG 3.37Å; T64-E68 PolarHBondContact O-N 3.13Å; E68-L70 VanDerWaalsContact C-N 3.34Å; E68-L70 PolarHBondContact O-N 2.99Å; E68-R71 WeakPolarHBondContact O-CB 3.48Å; E68-R71 PolarHBondContact O-N 3.37Å; E68-R72 WeakPolarHBondContact O-CG 3.44Å; E68-R72 PolarHBondContact O-N 3.38Å |
| 69 | Y | 95.1 | Very high | 89.4 | Confident | 119 Ų | 119 | 110.5 Ų | 110.5 | 47% | 0.467 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -55.7 | -50.1 | 173.2 | 167.9 | -94.2 | 0 | 0 | 0 | 111 | R65 R66 R71 R72 Y73 | R65-Y69 WeakPolarHBondContact O-CB 3.44Å; R65-Y69 PolarHBondContact O-N 3.45Å; R66-Y69 PolarHBondContact O-N 3.36Å; Y69-R71 VanDerWaalsContact C-N 3.34Å; Y69-R71 PolarHBondContact O-N 3.28Å; Y69-R72 PolarHBondContact O-N 2.89Å; Y69-Y73 VanDerWaalsContact O-CB 3.25Å; Y69-Y73 WeakPolarHBondContact O-CB 3.35Å; Y69-Y73 PolarHBondContact O-N 2.8Å |
| 70 | L | 92.6 | Very high | 88.2 | Confident | 73 Ų | 73 | 113.3 Ų | 113.3 | 38% | 0.382 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 179.5 | -72.1 | 174.5 | 0 | 0 | 0 | 111.5 | R66 Q67 E68 Y73 V74 | R66-L70 HydrophobicContact CG-CD1 4.22Å; R66-L70 WeakPolarHBondContact O-CB 2.89Å; R66-L70 VanDerWaalsContact O-CG 3.29Å; R66-L70 WeakPolarHBondContact O-CG 3.16Å; R66-L70 PolarHBondContact O-N 3.07Å; Q67-L70 PolarHBondContact O-N 3.16Å; E68-L70 VanDerWaalsContact C-N 3.34Å; E68-L70 PolarHBondContact O-N 2.99Å; L70-Y73 PolarHBondContact O-N 3.14Å; L70-V74 WeakPolarHBondContact O-CB 3.32Å; L70-V74 VanDerWaalsContact O-CG2 3.23Å; L70-V74 WeakPolarHBondContact O-CG2 3.26Å; L70-V74 PolarHBondContact O-N 3.05Å |
| 71 | R | 89.5 | Confident | 87.1 | Confident | 178 Ų | 178 | 113 Ų | 113 | 67% | 0.672 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -57.6 | -50.6 | 174.4 | -177 | -179.4 | 178.2 | -171.7 | -2.7 | 110.9 | Q67 E68 Y69 S75 | Q67-R71 WeakPolarHBondContact O-CB 3.17Å; Q67-R71 PolarHBondContact O-N 3.23Å; E68-R71 WeakPolarHBondContact O-CB 3.48Å; E68-R71 PolarHBondContact O-N 3.37Å; Y69-R71 VanDerWaalsContact C-N 3.34Å; Y69-R71 PolarHBondContact O-N 3.28Å; R71-S75 VanDerWaalsContact O-CB 3.31Å; R71-S75 WeakPolarHBondContact O-CB 3.49Å; R71-S75 PolarHBondContact O-N 2.81Å; R71-S75 PolarHBondContact O-OG 3.29Å; R71-S75 VanDerWaalsContact O-OG 3.11Å |
| 72 | R | 90.9 | Very high | 86.1 | Confident | 206 Ų | 206 | 112.6 Ų | 112.6 | 78% | 0.777 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.4 | -45.8 | 178.1 | -70 | 176.3 | 66.6 | -175.6 | 1.1 | 112.1 | E68 Y69 V74 S75 G76 | E68-R72 WeakPolarHBondContact O-CG 3.44Å; E68-R72 PolarHBondContact O-N 3.38Å; Y69-R72 PolarHBondContact O-N 2.89Å; R72-V74 PolarHBondContact O-N 3.29Å; R72-S75 PolarHBondContact O-N 3.46Å; R72-G76 PolarHBondContact O-N 3.09Å |
| 73 | Y | 91 | Very high | 85.4 | Confident | 101 Ų | 101 | 110.2 Ų | 110.2 | 40% | 0.396 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -58.9 | -48.4 | 178.6 | 176.3 | -92.4 | 0 | 0 | 0 | 111.7 | Y69 L70 G76 K77 | Y69-Y73 VanDerWaalsContact O-CB 3.25Å; Y69-Y73 WeakPolarHBondContact O-CB 3.35Å; Y69-Y73 PolarHBondContact O-N 2.8Å; L70-Y73 PolarHBondContact O-N 3.14Å; Y73-G76 PolarHBondContact O-N 2.72Å; Y73-K77 HydrophobicContact CE1-CD 3.89Å; Y73-K77 HydrophobicContact CE1-CG 4.5Å; Y73-K77 HydrophobicContact CE2-CD 3.89Å; Y73-K77 VanDerWaalsContact CE2-CE 3.46Å; Y73-K77 HydrophobicContact CE2-CG 4.39Å; Y73-K77 VanDerWaalsContact CZ-CD 3.49Å; Y73-K77 VanDerWaalsContact CZ-CE 3.42Å; Y73-K77 WeakPolarHBondContact O-CB 3.38Å; Y73-K77 PolarHBondContact O-N 3.49Å; Y73-K77 VanDerWaalsContact OH-CE 3.27Å; Y73-K77 WeakPolarHBondContact OH-CE 3.4Å; Y73-K77 PolarHBondContact OH-NZ 3.01Å |
| 74 | V | 87 | Confident | 84.9 | Confident | 65 Ų | 65 | 115.8 Ų | 115.8 | 39% | 0.394 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.8 | -43.7 | 179.7 | 173 | 0 | 0 | 0 | 0 | 110.9 | L70 R72 G76 K78 | L70-V74 WeakPolarHBondContact O-CB 3.32Å; L70-V74 VanDerWaalsContact O-CG2 3.23Å; L70-V74 WeakPolarHBondContact O-CG2 3.26Å; L70-V74 PolarHBondContact O-N 3.05Å; R72-V74 PolarHBondContact O-N 3.29Å; V74-G76 VanDerWaalsContact C-N 3.3Å; V74-G76 PolarHBondContact O-N 2.74Å; V74-K78 HydrophobicContact CG1-CD 4.11Å; V74-K78 WeakPolarHBondContact O-CB 3.35Å; V74-K78 PolarHBondContact O-N 3.19Å |
| 75 | S | 83.5 | Confident | 84.6 | Confident | 46 Ų | 46 | 113.3 Ų | 113.3 | 32% | 0.322 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.9 | -34.7 | 176.3 | -70.5 | 0 | 0 | 0 | 0 | 112.9 | R71 R72 R80 | R71-S75 VanDerWaalsContact O-CB 3.31Å; R71-S75 WeakPolarHBondContact O-CB 3.49Å; R71-S75 PolarHBondContact O-N 2.81Å; R71-S75 PolarHBondContact O-OG 3.29Å; R71-S75 VanDerWaalsContact O-OG 3.11Å; R72-S75 PolarHBondContact O-N 3.46Å; S75-R80 PolarHBondContact OG-NH1 3.17Å |
| 76 | G | 83.2 | Confident | 84.3 | Confident | 68 Ų | 68 | 108.2 Ų | 108.2 | 70% | 0.701 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -78.5 | -38.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | R72 Y73 V74 | R72-G76 PolarHBondContact O-N 3.09Å; Y73-G76 PolarHBondContact O-N 2.72Å; V74-G76 VanDerWaalsContact C-N 3.3Å; V74-G76 PolarHBondContact O-N 2.74Å |
| 77 | K | 79.9 | Confident | 84.2 | Confident | 147 Ų | 147 | 106.1 Ų | 106.1 | 64% | 0.639 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -79.3 | -37.2 | -179.6 | -78.8 | -154.4 | 172.8 | -172 | 0 | 113.8 | Y73 | Y73-K77 HydrophobicContact CE1-CD 3.89Å; Y73-K77 HydrophobicContact CE1-CG 4.5Å; Y73-K77 HydrophobicContact CE2-CD 3.89Å; Y73-K77 VanDerWaalsContact CE2-CE 3.46Å; Y73-K77 HydrophobicContact CE2-CG 4.39Å; Y73-K77 VanDerWaalsContact CZ-CD 3.49Å; Y73-K77 VanDerWaalsContact CZ-CE 3.42Å; Y73-K77 WeakPolarHBondContact O-CB 3.38Å; Y73-K77 PolarHBondContact O-N 3.49Å; Y73-K77 VanDerWaalsContact OH-CE 3.27Å; Y73-K77 WeakPolarHBondContact OH-CE 3.4Å; Y73-K77 PolarHBondContact OH-NZ 3.01Å |
| 78 | K | 65.9 | Low | 84.1 | Confident | 142 Ų | 142 | 102.7 Ų | 102.7 | 62% | 0.617 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -86 | 117.3 | 176.5 | -70.8 | -172.7 | 175.6 | -177.5 | 0 | 107.5 | V74 R80 | V74-K78 HydrophobicContact CG1-CD 4.11Å; V74-K78 WeakPolarHBondContact O-CB 3.35Å; V74-K78 PolarHBondContact O-N 3.19Å; K78-R80 HydrophobicContact CB-CG 4.13Å; K78-R80 PolarHBondContact O-N 3.45Å |
| 79 | K | 65 | Low | 84 | Confident | 197 Ų | 197 | 99.2 Ų | 99.2 | 86% | 0.857 | 50% | 0.502 | S | S | * | . | trans | -58.5 | 89.5 | 152.9 | -67.4 | -173.8 | -178.9 | -176.5 | 0 | 106.1 | N81 | K79-N81 PolarHBondContact O-N 3.48Š| ||
| 80 | R | 68.5 | Low | 84 | Confident | 87 Ų | 87 | 97.6 Ų | 97.6 | 33% | 0.328 | 50% | 0.504 | S | S | . | . | trans | -68.9 | 101.7 | 178.9 | -72.1 | 177.5 | 63.7 | -179.4 | -9.4 | 105.3 | S75 K78 L82 E118 | S75-R80 PolarHBondContact OG-NH1 3.17Å; K78-R80 HydrophobicContact CB-CG 4.13Å; K78-R80 PolarHBondContact O-N 3.45Å; R80-L82 HydrophobicContact CB-CD1 3.97Å; R80-L82 HydrophobicContact CB-CG 4.05Å; R80-L82 PolarHBondContact O-N 3.47Å; R80-E118 IonicContact CZ-OE1 3.8Å; R80-E118 IonicContact CZ-OE2 3.83Å; R80-E118 VanDerWaalsContact CZ-OE2 3.23Å; R80-E118 IonicContact NE-OE1 3.9Å; R80-E118 IonicContact NH1-OE1 3.98Å; R80-E118 PolarHBondContact NH1-OE1 2.99Å; R80-E118 IonicContact NH1-OE2 3.84Å; R80-E118 PolarHBondContact NH1-OE2 3.27Å; R80-E118 IonicContact NH2-OE1 3.3Å; R80-E118 PolarHBondContact NH2-OE1 3.4Å; R80-E118 IonicContact NH2-OE2 2.98Å; R80-E118 PolarHBondContact NH2-OE2 2.82Å | ||
| 81 | N | 70.1 | Confident | 84 | Confident | 157 Ų | 157 | 94.1 Ų | 94.1 | 84% | 0.84 | 49% | 0.486 | S | S | * | . | trans | -70.1 | 68 | 170 | -66.1 | -17.9 | 0 | 0 | 0 | 108.1 | K79 | K79-N81 PolarHBondContact O-N 3.48Š| ||
| 82 | L | 74.9 | Confident | 84.2 | Confident | 61 Ų | 61 | 88.9 Ų | 88.9 | 32% | 0.319 | 47% | 0.467 | S | S | . | . | trans | -74.1 | 125.4 | 172.1 | -73.3 | 156.5 | 0 | 0 | 0 | 106.7 | R80 H84 E118 A119 | R80-L82 HydrophobicContact CB-CD1 3.97Å; R80-L82 HydrophobicContact CB-CG 4.05Å; R80-L82 PolarHBondContact O-N 3.47Å; L82-H84 PolarHBondContact O-N 3.22Å; L82-E118 HydrophobicContact CD1-CG 3.85Å; L82-A119 HydrophobicContact CD2-CB 3.46Å; L82-A119 VanDerWaalsContact CD2-CB 3.46Å | ||
| 83 | P | 79.2 | Confident | 84.2 | Confident | 53 Ų | 53 | 79.2 Ų | 79.2 | 34% | 0.344 | 43% | 0.431 | S | S | . | . | trans | -64.2 | 137.3 | 173.7 | 29.5 | -34.2 | 0 | 0 | 0 | 108.6 | L85 A131 | P83-L85 HydrophobicContact CB-CD1 4.17Å; P83-L85 HydrophobicContact CB-CD2 4.32Å; P83-L85 HydrophobicContact CB-CG 3.88Å; P83-L85 HydrophobicContact CG-CD1 3.71Å; P83-L85 HydrophobicContact CG-CG 3.91Å; P83-L85 PolarHBondContact O-N 3.09Å; P83-A131 HydrophobicContact CG-CB 3.89Å | ||
| 84 | H | 85.4 | Confident | 84.1 | Confident | 157 Ų | 157 | 79.9 Ų | 79.9 | 73% | 0.727 | 43% | 0.433 | S | S | * | . | trans | -74.8 | 80.3 | 175.9 | -174.8 | 73.6 | 0 | 0 | 0 | 109.3 | L82 R136 | L82-H84 PolarHBondContact O-N 3.22Å; H84-R136 VanDerWaalsContact O-CZ 3.24Å; H84-R136 PolarHBondContact O-NH1 3.29Å; H84-R136 PolarHBondContact O-NH2 3.39Å | ||
| 85 | L | 90.2 | Very high | 83.8 | Confident | 13 Ų | 13 | 78.2 Ų | 78.2 | 7% | 0.068 | 42% | 0.421 | C | S | . | . | trans | -105.7 | 136.2 | -179.5 | -58.7 | 175.6 | 0 | 0 | 0 | 111 | P83 D89 V91 I112 Y121 L134 R136 | P83-L85 HydrophobicContact CB-CD1 4.17Å; P83-L85 HydrophobicContact CB-CD2 4.32Å; P83-L85 HydrophobicContact CB-CG 3.88Å; P83-L85 HydrophobicContact CG-CD1 3.71Å; P83-L85 HydrophobicContact CG-CG 3.91Å; P83-L85 PolarHBondContact O-N 3.09Å; L85-D89 WeakPolarHBondContact CA-OD2 3.36Å; L85-V91 HydrophobicContact CD1-CG1 4.43Å; L85-V91 HydrophobicContact CD2-CG1 3.9Å; L85-I112 HydrophobicContact CB-CD1 3.69Å; L85-I112 HydrophobicContact CD1-CD1 4.03Å; L85-I112 HydrophobicContact CD2-CD1 4.45Å; L85-I112 HydrophobicContact CG-CD1 4.26Å; L85-Y121 HydrophobicContact CB-CE1 3.87Å; L85-Y121 HydrophobicContact CB-CE2 4.43Å; L85-Y121 HydrophobicContact CD1-CD2 4.4Å; L85-Y121 HydrophobicContact CD1-CE2 4.02Å; L85-L134 HydrophobicContact CD1-CB 4.19Å; L85-L134 HydrophobicContact CD1-CD1 3.68Å; L85-R136 HydrophobicContact CD2-CG 4.1Å | ||
| 86 | S | 91.5 | Very high | 83.4 | Confident | 55 Ų | 55 | 80.6 Ų | 80.6 | 39% | 0.385 | 44% | 0.435 | S | S | . | . | trans | -122.2 | 161.1 | -178.6 | -67.3 | 0 | 0 | 0 | 0 | 111.1 | D89 | S86-D89 PolarHBondContact N-OD2 3.07Å; S86-D89 WeakPolarHBondContact O-CB 3.27Å; S86-D89 VanDerWaalsContact O-CG 3.3Å; S86-D89 PolarHBondContact O-N 3.24Å | ||
| 87 | A | 93.6 | Very high | 82.7 | Confident | 69 Ų | 69 | 81.5 Ų | 81.5 | 57% | 0.57 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 137.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q113 | A87-Q113 WeakPolarHBondContact CB-O 3.25Š|
| 88 | G | 94.2 | Very high | 81.6 | Confident | 52 Ų | 52 | 79.2 Ų | 79.2 | 54% | 0.536 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.3 | -16.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | V90 I112 | G88-V90 PolarHBondContact O-N 3.33Å; G88-I112 PolarHBondContact N-O 3.32Å |
| 89 | D | 93.3 | Very high | 81.3 | Confident | 38 Ų | 38 | 75.9 Ų | 75.9 | 20% | 0.203 | 43% | 0.432 | C | S | . | . | trans | -65.5 | 137.4 | 178 | -71 | -18.6 | 0 | 0 | 0 | 111.9 | L85 S86 V91 I111 I112 R136 | L85-D89 WeakPolarHBondContact CA-OD2 3.36Å; S86-D89 PolarHBondContact N-OD2 3.07Å; S86-D89 WeakPolarHBondContact O-CB 3.27Å; S86-D89 VanDerWaalsContact O-CG 3.3Å; S86-D89 PolarHBondContact O-N 3.24Å; D89-V91 HydrophobicContact CB-CG1 4.44Å; D89-I111 WeakPolarHBondContact O-CA 3.32Å; D89-I112 HydrophobicContact CB-CD1 4.13Å; D89-I112 HydrophobicContact CB-CG1 4.38Å; D89-I112 PolarHBondContact O-N 3.24Å; D89-R136 IonicContact OD1-NH2 3.76Å; D89-R136 IonicContact OD2-CZ 3.65Å; D89-R136 IonicContact OD2-NE 3.05Å; D89-R136 IonicContact OD2-NH2 2.64Å; D89-R136 PolarHBondContact OD2-NH2 3.13Å | ||
| 90 | V | 94.5 | Very high | 81.2 | Confident | 84 Ų | 84 | 77.1 Ų | 77.1 | 51% | 0.509 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 120.8 | 167.5 | -176.2 | 0 | 0 | 0 | 0 | 108.6 | G88 P109 T110 I111 | G88-V90 PolarHBondContact O-N 3.33Å; V90-P109 HydrophobicContact CG1-CB 4.3Å; V90-T110 WeakPolarHBondContact CA-O 3.23Å; V90-I111 HydrophobicContact CG2-CG1 4.26Å |
| 91 | V | 93.6 | Very high | 80.8 | Confident | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 149.8 | 177.8 | -66.7 | 0 | 0 | 0 | 0 | 110.5 | L85 D89 P109 T110 I112 M123 L134 R136 | L85-V91 HydrophobicContact CD1-CG1 4.43Å; L85-V91 HydrophobicContact CD2-CG1 3.9Å; D89-V91 HydrophobicContact CB-CG1 4.44Å; V91-P109 CarbonylContact O-C 3.59Å; V91-P109 WeakPolarHBondContact O-CA 3.41Å; V91-T110 HydrophobicContact CG2-CG2 4.11Å; V91-T110 PolarHBondContact N-O 2.94Å; V91-T110 PolarHBondContact O-N 2.9Å; V91-I112 HydrophobicContact CG1-CD1 3.84Å; V91-I112 HydrophobicContact CG1-CG1 4.16Å; V91-I112 HydrophobicContact CG2-CD1 4.16Å; V91-I112 HydrophobicContact CG2-CG1 3.71Å; V91-M123 HydrophobicContact CG2-SD 3.85Å; V91-L134 HydrophobicContact CB-CB 4.46Å; V91-L134 HydrophobicContact CG2-CD1 4.44Å; V91-L134 HydrophobicContact CG2-CD2 3.95Å; V91-R136 HydrophobicContact CG1-CG 4.45Å |
| 92 | Y | 92.4 | Very high | 80.2 | Confident | 68 Ų | 68 | 75.7 Ų | 75.7 | 27% | 0.267 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 130 | 171.5 | -69.8 | -99.4 | 0 | 0 | 0 | 109 | W107 Q108 P109 L134 A135 R137 | Y92-W107 HydrophobicContact CD1-CB 4.13Å; Y92-W107 VanDerWaalsContact O-CZ3 3.26Å; Y92-W107 WeakPolarHBondContact O-CZ3 3.33Å; Y92-Q108 WeakPolarHBondContact CA-O 3.28Å; Y92-P109 HydrophobicContact CD1-CB 4.24Å; Y92-P109 HydrophobicContact CE1-CB 3.88Å; Y92-P109 HydrophobicContact CE1-CG 4.24Å; Y92-L134 CarbonylContact O-C 3.43Å; Y92-L134 WeakPolarHBondContact O-CA 3.21Å; Y92-A135 PolarHBondContact N-O 3Å; Y92-A135 PolarHBondContact O-N 3.13Å; Y92-R137 HydrophobicContact CD2-CB 3.9Å; Y92-R137 HydrophobicContact CD2-CG 3.91Å; Y92-R137 HydrophobicContact CE2-CB 3.67Å; Y92-R137 HydrophobicContact CE2-CG 4.13Å; Y92-R137 HydrophobicContact CG-CG 4.4Å |
| 93 | T | 91.3 | Very high | 79.4 | Confident | 4 Ų | 4 | 78.3 Ų | 78.3 | 3% | 0.025 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 132.1 | 176.7 | 50 | 0 | 0 | 0 | 0 | 110.7 | Q95 W107 Q108 T110 M123 W129 L134 | T93-Q95 PolarHBondContact O-N 3.02Å; T93-Q95 VanDerWaalsContact O-N 3.15Å; T93-Q95 PolarHBondContact OG1-NE2 3.27Å; T93-W107 VanDerWaalsContact C-CE3 3.5Å; T93-W107 WeakPolarHBondContact O-CA 3.3Å; T93-Q108 PolarHBondContact N-O 2.92Å; T93-Q108 PolarHBondContact O-N 2.98Å; T93-Q108 PolarHBondContact OG1-O 3.39Å; T93-T110 HydrophobicContact CG2-CG2 3.6Å; T93-M123 HydrophobicContact CG2-CG 4.41Å; T93-M123 HydrophobicContact CG2-SD 4.2Å; T93-W129 HydrophobicContact CG2-CD2 4.02Å; T93-W129 HydrophobicContact CG2-CG 4.01Å; T93-W129 HydrophobicContact CG2-CZ2 4.46Å; T93-L134 HydrophobicContact CG2-CD2 3.64Å |
| 94 | R | 87.9 | Confident | 78.6 | Confident | 115 Ų | 115 | 85.7 Ų | 85.7 | 43% | 0.434 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 101.1 | 174.7 | -169.5 | 176.6 | 132.4 | -128 | 4.4 | 109.6 | P105 W107 W129 N133 | R94-P105 HydrophobicContact CG-CB 3.49Å; R94-P105 VanDerWaalsContact CG-CB 3.49Å; R94-P105 HydrophobicContact CG-CG 3.6Å; R94-W107 HydrophobicContact CB-CD2 4.43Å; R94-W107 HydrophobicContact CB-CE3 4.1Å; R94-W107 HydrophobicContact CB-CH2 3.63Å; R94-W107 HydrophobicContact CB-CZ2 3.92Å; R94-W107 HydrophobicContact CB-CZ3 3.7Å; R94-W107 HydrophobicContact CG-CH2 4.17Å; R94-W107 HydrophobicContact CG-CZ2 3.97Å; R94-W129 WeakPolarHBondContact O-CH2 3.42Å; R94-W129 WeakPolarHBondContact O-CZ3 3.4Å; R94-N133 HydrophobicContact CB-CB 4.24Å; R94-N133 PolarHBondContact N-O 3.42Å; R94-N133 PolarHBondContact NH1-OD1 3.23Å |
| 95 | Q | 82.5 | Confident | 77.6 | Confident | 30 Ų | 30 | 80.1 Ų | 80.1 | 14% | 0.14 | 47% | 0.471 | C | S | . | . | trans | -64 | 140.1 | 176.5 | -60.5 | -57.1 | -48.5 | 0 | 0 | 110 | T93 S97 P105 S106 Q108 | T93-Q95 PolarHBondContact O-N 3.02Å; T93-Q95 VanDerWaalsContact O-N 3.15Å; T93-Q95 PolarHBondContact OG1-NE2 3.27Å; Q95-S97 PolarHBondContact O-N 2.73Å; Q95-P105 WeakPolarHBondContact O-CB 3.37Å; Q95-S106 WeakPolarHBondContact CB-O 3.43Å; Q95-S106 WeakPolarHBondContact CG-O 3.21Å; Q95-S106 PolarHBondContact N-O 3.36Å; Q95-Q108 HydrophobicContact CG-CG 4.29Å | ||
| 96 | P | 75 | Confident | 76.9 | Confident | 96 Ų | 96 | 82.8 Ų | 82.8 | 62% | 0.623 | 49% | 0.491 | S | S | * | . | trans | -56.6 | 133.9 | 169.5 | 25.7 | -32.6 | 0 | 0 | 0 | 108.1 | S98 | P96-S98 PolarHBondContact O-N 3.04Š| ||
| 97 | S | 67.7 | Low | 76.6 | Confident | 87 Ų | 87 | 83.8 Ų | 83.8 | 61% | 0.608 | 49% | 0.486 | S | S | * | . | trans | -61.1 | 111.7 | -178.6 | 54.3 | 0 | 0 | 0 | 0 | 109.8 | Q95 A99 | Q95-S97 PolarHBondContact O-N 2.73Å; S97-A99 PolarHBondContact O-N 3.36Å | ||
| 98 | S | 57.6 | Low | 76.2 | Confident | 98 Ų | 98 | 85.4 Ų | 85.4 | 69% | 0.685 | 48% | 0.482 | S | S | * | . | trans | -69.7 | 120.3 | 168.6 | -43.9 | 0 | 0 | 0 | 0 | 108.2 | P96 H102 | P96-S98 PolarHBondContact O-N 3.04Å; S98-H102 PolarHBondContact O-CD2 3.26Å | ||
| 99 | A | 59.7 | Low | 76.1 | Confident | 73 Ų | 73 | 86.8 Ų | 86.8 | 60% | 0.603 | 48% | 0.482 | S | S | * | . | S | Bend | trans | 62 | 140.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 118 | S97 G101 | S97-A99 PolarHBondContact O-N 3.36Å; A99-G101 PolarHBondContact O-N 3.16Å; A99-G101 VanDerWaalsContact O-N 3.14Å |
| 100 | K | 61.6 | Low | 76.1 | Confident | 222 Ų | 222 | 86 Ų | 86 | 97% | 0.965 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 113.8 | 173 | -173.6 | -177.9 | -176.8 | -176.3 | 0 | 108.9 | ||
| 101 | G | 61.7 | Low | 76.1 | Confident | 73 Ų | 73 | 86 Ų | 86 | 75% | 0.753 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 132.6 | -14.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | A99 | A99-G101 PolarHBondContact O-N 3.16Å; A99-G101 VanDerWaalsContact O-N 3.14Å |
| 102 | H | 56.9 | Low | 76.2 | Confident | 141 Ų | 141 | 86 Ų | 86 | 65% | 0.653 | 48% | 0.475 | S | S | * | . | trans | -89 | 113.2 | 172.8 | -65.4 | -68.8 | 0 | 0 | 0 | 110.5 | S98 R104 | S98-H102 PolarHBondContact O-CD2 3.26Å; H102-R104 VanDerWaalsContact C-N 3.27Å; H102-R104 PolarHBondContact O-N 2.84Å | ||
| 103 | S | 57.5 | Low | 76.4 | Confident | 116 Ų | 116 | 88.2 Ų | 88.2 | 81% | 0.811 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -73.7 | -9.2 | -165.9 | 67.3 | 0 | 0 | 0 | 0 | 115.3 | ||
| 104 | R | 62.5 | Low | 76.6 | Confident | 208 Ų | 208 | 90.3 Ų | 90.3 | 79% | 0.785 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -140.2 | 131 | -179.6 | -65.2 | -177.4 | 174.3 | 135 | -1.3 | 110.5 | H102 S106 | H102-R104 VanDerWaalsContact C-N 3.27Å; H102-R104 PolarHBondContact O-N 2.84Å; R104-S106 PolarHBondContact O-N 3.43Å |
| 105 | P | 64.1 | Low | 76.9 | Confident | 40 Ų | 40 | 90 Ų | 90 | 26% | 0.26 | 51% | 0.505 | S | S | . | . | trans | -59 | 133.6 | 171.3 | 24.8 | -31.5 | 0 | 0 | 0 | 109 | R94 Q95 | R94-P105 HydrophobicContact CG-CB 3.49Å; R94-P105 VanDerWaalsContact CG-CB 3.49Å; R94-P105 HydrophobicContact CG-CG 3.6Å; Q95-P105 WeakPolarHBondContact O-CB 3.37Å | ||
| 106 | S | 76.1 | Confident | 77.5 | Confident | 70 Ų | 70 | 91.8 Ų | 91.8 | 49% | 0.49 | 52% | 0.518 | S | S | . | . | trans | -65.3 | 139.2 | 173.1 | -176.2 | 0 | 0 | 0 | 0 | 109.2 | Q95 R104 | Q95-S106 WeakPolarHBondContact CB-O 3.43Å; Q95-S106 WeakPolarHBondContact CG-O 3.21Å; Q95-S106 PolarHBondContact N-O 3.36Å; R104-S106 PolarHBondContact O-N 3.43Å | ||
| 107 | W | 84.7 | Confident | 78.2 | Confident | 75 Ų | 75 | 96.2 Ų | 96.2 | 28% | 0.284 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 114.4 | 178.3 | -73.7 | 93.9 | 0 | 0 | 0 | 107.8 | Y92 T93 R94 A135 | Y92-W107 HydrophobicContact CD1-CB 4.13Å; Y92-W107 VanDerWaalsContact O-CZ3 3.26Å; Y92-W107 WeakPolarHBondContact O-CZ3 3.33Å; T93-W107 VanDerWaalsContact C-CE3 3.5Å; T93-W107 WeakPolarHBondContact O-CA 3.3Å; R94-W107 HydrophobicContact CB-CD2 4.43Å; R94-W107 HydrophobicContact CB-CE3 4.1Å; R94-W107 HydrophobicContact CB-CH2 3.63Å; R94-W107 HydrophobicContact CB-CZ2 3.92Å; R94-W107 HydrophobicContact CB-CZ3 3.7Å; R94-W107 HydrophobicContact CG-CH2 4.17Å; R94-W107 HydrophobicContact CG-CZ2 3.97Å; W107-A135 HydrophobicContact CE3-CB 4.15Å; W107-A135 HydrophobicContact CH2-CB 3.95Å; W107-A135 HydrophobicContact CZ3-CB 3.63Å |
| 108 | Q | 85.1 | Confident | 79.1 | Confident | 103 Ų | 103 | 96 Ų | 96 | 48% | 0.481 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 133 | 178.8 | -69.1 | -172.4 | -7.2 | 0 | 0 | 110.3 | Y92 T93 Q95 | Y92-Q108 WeakPolarHBondContact CA-O 3.28Å; T93-Q108 PolarHBondContact N-O 2.92Å; T93-Q108 PolarHBondContact O-N 2.98Å; T93-Q108 PolarHBondContact OG1-O 3.39Å; Q95-Q108 HydrophobicContact CG-CG 4.29Å |
| 109 | P | 92 | Very high | 80.6 | Confident | 82 Ų | 82 | 92 Ų | 92 | 53% | 0.532 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 138.6 | 177.3 | 29.8 | -33.7 | 0 | 0 | 0 | 109.8 | V90 V91 Y92 | V90-P109 HydrophobicContact CG1-CB 4.3Å; V91-P109 CarbonylContact O-C 3.59Å; V91-P109 WeakPolarHBondContact O-CA 3.41Å; Y92-P109 HydrophobicContact CD1-CB 4.24Å; Y92-P109 HydrophobicContact CE1-CB 3.88Å; Y92-P109 HydrophobicContact CE1-CG 4.24Å |
| 110 | T | 92.7 | Very high | 82.2 | Confident | 22 Ų | 22 | 90.1 Ų | 90.1 | 14% | 0.135 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 163.7 | 172.6 | -158.4 | 0 | 0 | 0 | 0 | 109.4 | V90 V91 T93 M123 | V90-T110 WeakPolarHBondContact CA-O 3.23Å; V91-T110 HydrophobicContact CG2-CG2 4.11Å; V91-T110 PolarHBondContact N-O 2.94Å; V91-T110 PolarHBondContact O-N 2.9Å; T93-T110 HydrophobicContact CG2-CG2 3.6Å; T110-M123 HydrophobicContact CG2-CB 3.8Å; T110-M123 HydrophobicContact CG2-CG 3.59Å; T110-M123 HydrophobicContact CG2-SD 3.32Å; T110-M123 WeakPolarHBondContact CG2-SD 3.44Å |
| 111 | I | 94.9 | Very high | 83.8 | Confident | 82 Ų | 82 | 79.8 Ų | 79.8 | 42% | 0.421 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 136.9 | -177.7 | -60.1 | 172.3 | 0 | 0 | 0 | 109 | D89 V90 Q113 M123 A124 | D89-I111 WeakPolarHBondContact O-CA 3.32Å; V90-I111 HydrophobicContact CG2-CG1 4.26Å; I111-Q113 PolarHBondContact O-N 3.45Å; I111-M123 CarbonylContact O-C 3.49Å; I111-M123 VanDerWaalsContact O-CA 3.23Å; I111-M123 WeakPolarHBondContact O-CA 3.42Å; I111-A124 HydrophobicContact CB-CB 4.22Å; I111-A124 PolarHBondContact O-N 2.77Å |
| 112 | I | 96 | Very high | 85.5 | Confident | 2 Ų | 2 | 81 Ų | 81 | 1% | 0.01 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 121.1 | 171.5 | -58.2 | -173.5 | 0 | 0 | 0 | 109.2 | L85 G88 D89 V91 Y121 M123 | L85-I112 HydrophobicContact CB-CD1 3.69Å; L85-I112 HydrophobicContact CD1-CD1 4.03Å; L85-I112 HydrophobicContact CD2-CD1 4.45Å; L85-I112 HydrophobicContact CG-CD1 4.26Å; G88-I112 PolarHBondContact N-O 3.32Å; D89-I112 HydrophobicContact CB-CD1 4.13Å; D89-I112 HydrophobicContact CB-CG1 4.38Å; D89-I112 PolarHBondContact O-N 3.24Å; V91-I112 HydrophobicContact CG1-CD1 3.84Å; V91-I112 HydrophobicContact CG1-CG1 4.16Å; V91-I112 HydrophobicContact CG2-CD1 4.16Å; V91-I112 HydrophobicContact CG2-CG1 3.71Å; I112-Y121 HydrophobicContact CD1-CD1 4.17Å; I112-Y121 HydrophobicContact CD1-CG 4.42Å; I112-Y121 HydrophobicContact CG2-CD1 3.88Å; I112-Y121 HydrophobicContact CG2-CG 4.46Å; I112-M123 HydrophobicContact CB-CE 4.32Å; I112-M123 HydrophobicContact CG1-CE 3.82Å; I112-M123 HydrophobicContact CG1-SD 4.27Å; I112-M123 HydrophobicContact CG2-CE 4.33Å |
| 113 | Q | 96.1 | Very high | 87.3 | Confident | 113 Ų | 113 | 74.2 Ų | 74.2 | 53% | 0.528 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | -47.8 | 174 | -172.1 | -175.6 | 22 | 0 | 0 | 111.4 | A87 I111 R122 | A87-Q113 WeakPolarHBondContact CB-O 3.25Å; I111-Q113 PolarHBondContact O-N 3.45Å; Q113-R122 WeakPolarHBondContact CB-O 3.45Å; Q113-R122 PolarHBondContact N-O 3.41Å |
| 114 | S | 95.7 | Very high | 89 | Confident | 48 Ų | 48 | 71.9 Ų | 71.9 | 34% | 0.336 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 160.2 | -178.8 | 61.5 | 0 | 0 | 0 | 0 | 112.8 | Y121 R122 | S114-Y121 WeakPolarHBondContact O-CA 3.18Å; S114-R122 PolarHBondContact N-O 3.01Å; S114-R122 PolarHBondContact O-N 3.26Å |
| 115 | Q | 94.9 | Very high | 90.4 | Very high | 108 Ų | 108 | 66 Ų | 66 | 51% | 0.505 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 121.1 | 171.9 | -169.6 | 177 | 23.4 | 0 | 0 | 110 | R117 E118 Y121 | Q115-R117 WeakPolarHBondContact CG-O 3.32Å; Q115-R117 PolarHBondContact NE2-O 3.09Å; Q115-E118 PolarHBondContact NE2-O 2.95Å; Q115-Y121 HydrophobicContact CB-CD1 4.01Å; Q115-Y121 HydrophobicContact CB-CE1 3.99Å; Q115-Y121 HydrophobicContact CG-CD1 4.02Å; Q115-Y121 HydrophobicContact CG-CE1 3.74Å |
| 116 | V | 94.3 | Very high | 91.8 | Very high | 68 Ų | 68 | 65.7 Ų | 65.7 | 41% | 0.412 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | -40.4 | -179.8 | -175.9 | 0 | 0 | 0 | 0 | 111.1 | T120 R122 | V116-T120 HydrophobicContact CB-CG2 4.25Å; V116-T120 PolarHBondContact N-O 3.13Å; V116-R122 HydrophobicContact CG2-CB 3.81Å |
| 117 | R | 90.1 | Very high | 92.6 | Very high | 190 Ų | 190 | 68.8 Ų | 68.8 | 72% | 0.717 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 171.3 | 173.1 | -58.4 | -173.9 | 175.6 | -141.9 | -2.6 | 108.7 | Q115 A119 T120 | Q115-R117 WeakPolarHBondContact CG-O 3.32Å; Q115-R117 PolarHBondContact NE2-O 3.09Å; R117-A119 PolarHBondContact O-N 2.87Å; R117-T120 PolarHBondContact N-O 3.19Å; R117-T120 PolarHBondContact O-N 3.18Å |
| 118 | E | 86.2 | Confident | 93.1 | Very high | 82 Ų | 82 | 68.7 Ų | 68.7 | 38% | 0.383 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45 | -36.5 | -176.4 | -167.2 | -177.8 | 169.1 | 0 | 0 | 115.4 | R80 L82 Q115 | R80-E118 IonicContact CZ-OE1 3.8Å; R80-E118 IonicContact CZ-OE2 3.83Å; R80-E118 VanDerWaalsContact CZ-OE2 3.23Å; R80-E118 IonicContact NE-OE1 3.9Å; R80-E118 IonicContact NH1-OE1 3.98Å; R80-E118 PolarHBondContact NH1-OE1 2.99Å; R80-E118 IonicContact NH1-OE2 3.84Å; R80-E118 PolarHBondContact NH1-OE2 3.27Å; R80-E118 IonicContact NH2-OE1 3.3Å; R80-E118 PolarHBondContact NH2-OE1 3.4Å; R80-E118 IonicContact NH2-OE2 2.98Å; R80-E118 PolarHBondContact NH2-OE2 2.82Å; L82-E118 HydrophobicContact CD1-CG 3.85Å; Q115-E118 PolarHBondContact NE2-O 2.95Å |
| 119 | A | 89.9 | Confident | 93.5 | Very high | 15 Ų | 15 | 65.5 Ų | 65.5 | 12% | 0.124 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.4 | 20.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L82 R117 N130 A131 | L82-A119 HydrophobicContact CD2-CB 3.46Å; L82-A119 VanDerWaalsContact CD2-CB 3.46Å; R117-A119 PolarHBondContact O-N 2.87Å; A119-N130 CarbonylContact O-C 3.6Å; A119-N130 VanDerWaalsContact O-CA 3.3Å; A119-N130 WeakPolarHBondContact O-CA 3.46Å; A119-N130 PolarHBondContact O-ND2 3.35Å; A119-A131 HydrophobicContact CB-CB 4.18Å; A119-A131 PolarHBondContact O-N 2.95Å |
| 120 | T | 93.6 | Very high | 93.5 | Very high | 32 Ų | 32 | 64.9 Ų | 64.9 | 20% | 0.196 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 122.2 | -170.2 | -53.6 | 0 | 0 | 0 | 0 | 109.2 | V116 R117 V128 W129 | V116-T120 HydrophobicContact CB-CG2 4.25Å; V116-T120 PolarHBondContact N-O 3.13Å; R117-T120 PolarHBondContact N-O 3.19Å; R117-T120 PolarHBondContact O-N 3.18Å; T120-V128 HydrophobicContact CG2-CG1 3.26Å; T120-W129 WeakPolarHBondContact CA-O 3.49Å |
| 121 | Y | 95.2 | Very high | 93.4 | Very high | 6 Ų | 6 | 64.2 Ų | 64.2 | 2% | 0.024 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 143.4 | -172.1 | -61.1 | -91.1 | 0 | 0 | 0 | 109.9 | L85 I112 S114 Q115 M123 V128 W129 A131 L134 | L85-Y121 HydrophobicContact CB-CE1 3.87Å; L85-Y121 HydrophobicContact CB-CE2 4.43Å; L85-Y121 HydrophobicContact CD1-CD2 4.4Å; L85-Y121 HydrophobicContact CD1-CE2 4.02Å; I112-Y121 HydrophobicContact CD1-CD1 4.17Å; I112-Y121 HydrophobicContact CD1-CG 4.42Å; I112-Y121 HydrophobicContact CG2-CD1 3.88Å; I112-Y121 HydrophobicContact CG2-CG 4.46Å; S114-Y121 WeakPolarHBondContact O-CA 3.18Å; Q115-Y121 HydrophobicContact CB-CD1 4.01Å; Q115-Y121 HydrophobicContact CB-CE1 3.99Å; Q115-Y121 HydrophobicContact CG-CD1 4.02Å; Q115-Y121 HydrophobicContact CG-CE1 3.74Å; Y121-M123 HydrophobicContact CG-CE 4.49Å; Y121-V128 CarbonylContact O-C 3.18Å; Y121-V128 WeakPolarHBondContact O-CA 3.49Å; Y121-W129 PolarHBondContact N-O 3.16Å; Y121-W129 PolarHBondContact O-N 3.22Å; Y121-A131 HydrophobicContact CD2-CB 4.49Å; Y121-A131 HydrophobicContact CE2-CB 3.98Å; Y121-L134 HydrophobicContact CD2-CD1 3.77Å; Y121-L134 HydrophobicContact CG-CD1 4.23Å |
| 122 | R | 96.3 | Very high | 93.1 | Very high | 97 Ų | 97 | 64.6 Ų | 64.6 | 37% | 0.366 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 131.2 | 170.2 | -177.5 | -178 | -64.8 | -94.1 | 5.3 | 108.2 | Q113 S114 V116 G126 R127 V128 | Q113-R122 WeakPolarHBondContact CB-O 3.45Å; Q113-R122 PolarHBondContact N-O 3.41Å; S114-R122 PolarHBondContact N-O 3.01Å; S114-R122 PolarHBondContact O-N 3.26Å; V116-R122 HydrophobicContact CG2-CB 3.81Å; R122-G126 PolarHBondContact NH1-O 3.41Å; R122-R127 WeakPolarHBondContact CA-O 3.24Å; R122-V128 HydrophobicContact CB-CG2 4.47Å |
| 123 | M | 94.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 169.1 | 178.6 | -49 | -68.2 | 96.5 | 0 | 0 | 110.3 | V91 T93 T110 I111 I112 Y121 D125 G126 R127 W129 L134 | V91-M123 HydrophobicContact CG2-SD 3.85Å; T93-M123 HydrophobicContact CG2-CG 4.41Å; T93-M123 HydrophobicContact CG2-SD 4.2Å; T110-M123 HydrophobicContact CG2-CB 3.8Å; T110-M123 HydrophobicContact CG2-CG 3.59Å; T110-M123 HydrophobicContact CG2-SD 3.32Å; T110-M123 WeakPolarHBondContact CG2-SD 3.44Å; I111-M123 CarbonylContact O-C 3.49Å; I111-M123 VanDerWaalsContact O-CA 3.23Å; I111-M123 WeakPolarHBondContact O-CA 3.42Å; I112-M123 HydrophobicContact CB-CE 4.32Å; I112-M123 HydrophobicContact CG1-CE 3.82Å; I112-M123 HydrophobicContact CG1-SD 4.27Å; I112-M123 HydrophobicContact CG2-CE 4.33Å; Y121-M123 HydrophobicContact CG-CE 4.49Å; M123-D125 WeakPolarHBondContact CB-OD1 3.4Å; M123-D125 PolarHBondContact O-N 2.93Å; M123-G126 PolarHBondContact O-N 3.44Å; M123-R127 PolarHBondContact N-O 3.43Å; M123-W129 VanDerWaalsContact CG-CD1 3.43Å; M123-W129 HydrophobicContact CG-CG 4.43Å; M123-L134 HydrophobicContact CE-CD1 4.29Å; M123-L134 HydrophobicContact SD-CD2 4.16Å |
| 124 | A | 93.8 | Very high | 92.6 | Very high | 67 Ų | 67 | 61.7 Ų | 61.7 | 55% | 0.554 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -26.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | I111 G126 | I111-A124 HydrophobicContact CB-CB 4.22Å; I111-A124 PolarHBondContact O-N 2.77Å; A124-G126 PolarHBondContact O-N 3.49Å |
| 125 | D | 91.9 | Very high | 92.3 | Very high | 83 Ų | 83 | 60.8 Ų | 60.8 | 44% | 0.444 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | 0.7 | 173.8 | 71.5 | -2.6 | 0 | 0 | 0 | 113.6 | M123 R127 | M123-D125 WeakPolarHBondContact CB-OD1 3.4Å; M123-D125 PolarHBondContact O-N 2.93Å; D125-R127 VanDerWaalsContact C-N 3.28Å; D125-R127 PolarHBondContact O-N 3.38Å; D125-R127 VanDerWaalsContact OD1-CB 3.22Å; D125-R127 WeakPolarHBondContact OD1-CB 3.39Å; D125-R127 WeakPolarHBondContact OD1-CG 3.45Å; D125-R127 PolarHBondContact OD1-N 2.96Å; D125-R127 VanDerWaalsContact OD2-CD 3.28Å; D125-R127 WeakPolarHBondContact OD2-CD 3.26Å; D125-R127 IonicContact OD2-NE 2.8Å; D125-R127 IonicContact OD2-NH1 3.58Å |
| 126 | G | 93.8 | Very high | 91.8 | Very high | 34 Ų | 34 | 62.3 Ų | 62.3 | 35% | 0.351 | 32% | 0.323 | S | S | . | . | S | Bend | trans | 82.9 | -9.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115 | R122 M123 A124 | R122-G126 PolarHBondContact NH1-O 3.41Å; M123-G126 PolarHBondContact O-N 3.44Å; A124-G126 PolarHBondContact O-N 3.49Å |
| 127 | R | 93.2 | Very high | 91 | Very high | 136 Ų | 136 | 70 Ų | 70 | 51% | 0.513 | 35% | 0.345 | S | S | . | . | trans | -71.4 | 153.3 | 177.6 | -62.1 | -178 | 178.6 | 162.9 | -4.6 | 111 | R122 M123 D125 | R122-R127 WeakPolarHBondContact CA-O 3.24Å; M123-R127 PolarHBondContact N-O 3.43Å; D125-R127 VanDerWaalsContact C-N 3.28Å; D125-R127 PolarHBondContact O-N 3.38Å; D125-R127 VanDerWaalsContact OD1-CB 3.22Å; D125-R127 WeakPolarHBondContact OD1-CB 3.39Å; D125-R127 WeakPolarHBondContact OD1-CG 3.45Å; D125-R127 PolarHBondContact OD1-N 2.96Å; D125-R127 VanDerWaalsContact OD2-CD 3.28Å; D125-R127 WeakPolarHBondContact OD2-CD 3.26Å; D125-R127 IonicContact OD2-NE 2.8Å; D125-R127 IonicContact OD2-NH1 3.58Å | ||
| 128 | V | 94.7 | Very high | 91 | Very high | 73 Ų | 73 | 64.1 Ų | 64.1 | 44% | 0.442 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 126.1 | -178.1 | -179.5 | 0 | 0 | 0 | 0 | 109.8 | T120 Y121 R122 | T120-V128 HydrophobicContact CG2-CG1 3.26Å; Y121-V128 CarbonylContact O-C 3.18Å; Y121-V128 WeakPolarHBondContact O-CA 3.49Å; R122-V128 HydrophobicContact CB-CG2 4.47Å |
| 129 | W | 93.1 | Very high | 91.3 | Very high | 35 Ų | 35 | 63.1 Ų | 63.1 | 13% | 0.133 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 145.1 | -176.6 | -68.5 | 89.2 | 0 | 0 | 0 | 111.7 | T93 R94 T120 Y121 M123 N133 L134 | T93-W129 HydrophobicContact CG2-CD2 4.02Å; T93-W129 HydrophobicContact CG2-CG 4.01Å; T93-W129 HydrophobicContact CG2-CZ2 4.46Å; R94-W129 WeakPolarHBondContact O-CH2 3.42Å; R94-W129 WeakPolarHBondContact O-CZ3 3.4Å; T120-W129 WeakPolarHBondContact CA-O 3.49Å; Y121-W129 PolarHBondContact N-O 3.16Å; Y121-W129 PolarHBondContact O-N 3.22Å; M123-W129 VanDerWaalsContact CG-CD1 3.43Å; M123-W129 HydrophobicContact CG-CG 4.43Å; W129-N133 HydrophobicContact CE3-CB 3.74Å; W129-N133 HydrophobicContact CZ3-CB 4.2Å; W129-L134 HydrophobicContact CB-CD2 3.86Å; W129-L134 HydrophobicContact CB-CG 4.4Å; W129-L134 HydrophobicContact CG-CD2 4.33Å |
| 130 | N | 92.6 | Very high | 91.3 | Very high | 69 Ų | 69 | 65.8 Ų | 65.8 | 37% | 0.369 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 143.6 | 165.4 | -171.1 | -79 | 0 | 0 | 0 | 109.8 | A119 S132 N133 | A119-N130 CarbonylContact O-C 3.6Å; A119-N130 VanDerWaalsContact O-CA 3.3Å; A119-N130 WeakPolarHBondContact O-CA 3.46Å; A119-N130 PolarHBondContact O-ND2 3.35Å; N130-S132 PolarHBondContact O-N 2.69Å; N130-S132 WeakPolarHBondContact OD1-CB 3.38Å; N130-S132 PolarHBondContact OD1-N 3.47Å; N130-S132 PolarHBondContact OD1-OG 3.35Å; N130-S132 VanDerWaalsContact OD1-OG 3.07Å; N130-N133 WeakPolarHBondContact O-CB 3.42Å; N130-N133 PolarHBondContact O-N 2.98Å |
| 131 | A | 91.3 | Very high | 91.2 | Very high | 9 Ų | 9 | 67.8 Ų | 67.8 | 7% | 0.074 | 34% | 0.342 | C | S | . | . | G | 310 helix | trans | -49.9 | -32.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | P83 A119 Y121 N133 L134 | P83-A131 HydrophobicContact CG-CB 3.89Å; A119-A131 HydrophobicContact CB-CB 4.18Å; A119-A131 PolarHBondContact O-N 2.95Å; Y121-A131 HydrophobicContact CD2-CB 4.49Å; Y121-A131 HydrophobicContact CE2-CB 3.98Å; A131-N133 PolarHBondContact O-N 3.07Å; A131-N133 VanDerWaalsContact O-N 3.15Å; A131-L134 PolarHBondContact O-N 3.1Å |
| 132 | S | 89 | Confident | 91 | Very high | 89 Ų | 89 | 71.6 Ų | 71.6 | 62% | 0.622 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -63.9 | -15.6 | 176.9 | 71.7 | 0 | 0 | 0 | 0 | 114.3 | N130 | N130-S132 PolarHBondContact O-N 2.69Å; N130-S132 WeakPolarHBondContact OD1-CB 3.38Å; N130-S132 PolarHBondContact OD1-N 3.47Å; N130-S132 PolarHBondContact OD1-OG 3.35Å; N130-S132 VanDerWaalsContact OD1-OG 3.07Å |
| 133 | N | 90 | Very high | 90.6 | Very high | 36 Ų | 36 | 69.9 Ų | 69.9 | 19% | 0.193 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -106.4 | 9.7 | 177.9 | -63.5 | -40.7 | 0 | 0 | 0 | 112.1 | R94 W129 N130 A131 | R94-N133 HydrophobicContact CB-CB 4.24Å; R94-N133 PolarHBondContact N-O 3.42Å; R94-N133 PolarHBondContact NH1-OD1 3.23Å; W129-N133 HydrophobicContact CE3-CB 3.74Å; W129-N133 HydrophobicContact CZ3-CB 4.2Å; N130-N133 WeakPolarHBondContact O-CB 3.42Å; N130-N133 PolarHBondContact O-N 2.98Å; A131-N133 PolarHBondContact O-N 3.07Å; A131-N133 VanDerWaalsContact O-N 3.15Å |
| 134 | L | 90.8 | Very high | 90.3 | Very high | 18 Ų | 18 | 74.9 Ų | 74.9 | 9% | 0.094 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 143 | 178.3 | -56.8 | -179.2 | 0 | 0 | 0 | 109.8 | L85 V91 Y92 T93 Y121 M123 W129 A131 | L85-L134 HydrophobicContact CD1-CB 4.19Å; L85-L134 HydrophobicContact CD1-CD1 3.68Å; V91-L134 HydrophobicContact CB-CB 4.46Å; V91-L134 HydrophobicContact CG2-CD1 4.44Å; V91-L134 HydrophobicContact CG2-CD2 3.95Å; Y92-L134 CarbonylContact O-C 3.43Å; Y92-L134 WeakPolarHBondContact O-CA 3.21Å; T93-L134 HydrophobicContact CG2-CD2 3.64Å; Y121-L134 HydrophobicContact CD2-CD1 3.77Å; Y121-L134 HydrophobicContact CG-CD1 4.23Å; M123-L134 HydrophobicContact CE-CD1 4.29Å; M123-L134 HydrophobicContact SD-CD2 4.16Å; W129-L134 HydrophobicContact CB-CD2 3.86Å; W129-L134 HydrophobicContact CB-CG 4.4Å; W129-L134 HydrophobicContact CG-CD2 4.33Å; A131-L134 PolarHBondContact O-N 3.1Å |
| 135 | A | 88.9 | Confident | 90.1 | Very high | 29 Ų | 29 | 75.5 Ų | 75.5 | 24% | 0.24 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 140.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y92 W107 | Y92-A135 PolarHBondContact N-O 3Å; Y92-A135 PolarHBondContact O-N 3.13Å; W107-A135 HydrophobicContact CE3-CB 4.15Å; W107-A135 HydrophobicContact CH2-CB 3.95Å; W107-A135 HydrophobicContact CZ3-CB 3.63Å |
| 136 | R | 84.6 | Confident | 89.9 | Confident | 140 Ų | 140 | 74.9 Ų | 74.9 | 53% | 0.528 | 37% | 0.369 | S | S | . | . | trans | -88.4 | 133.1 | 160.8 | -72.3 | -178.9 | 171.7 | 167.5 | -0.3 | 107.3 | H84 L85 D89 V91 | H84-R136 VanDerWaalsContact O-CZ 3.24Å; H84-R136 PolarHBondContact O-NH1 3.29Å; H84-R136 PolarHBondContact O-NH2 3.39Å; L85-R136 HydrophobicContact CD2-CG 4.1Å; D89-R136 IonicContact OD1-NH2 3.76Å; D89-R136 IonicContact OD2-CZ 3.65Å; D89-R136 IonicContact OD2-NE 3.05Å; D89-R136 IonicContact OD2-NH2 2.64Å; D89-R136 PolarHBondContact OD2-NH2 3.13Å; V91-R136 HydrophobicContact CG1-CG 4.45Å | ||
| 137 | R | 76.9 | Confident | 89.6 | Confident | 231 Ų | 231 | 78.6 Ų | 78.6 | 87% | 0.872 | 37% | 0.371 | S | S | * | . | trans | -120.9 | 0 | 170.8 | -69.9 | -171.4 | 174.6 | -155.3 | 0.5 | 108.7 | Y92 | Y92-R137 HydrophobicContact CD2-CB 3.9Å; Y92-R137 HydrophobicContact CD2-CG 3.91Å; Y92-R137 HydrophobicContact CE2-CB 3.67Å; Y92-R137 HydrophobicContact CE2-CG 4.13Å; Y92-R137 HydrophobicContact CG-CG 4.4Å |
Retrieved 137 of 137 residues in 23.9 ms
(Link to these results)