| 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 | 74.2 | Confident | 89.3 | Confident | 188 Ų | 188 | 121.9 Ų | 121.9 | 93% | 0.926 | 56% | 0.563 | S | S | * | * | 0 | -64.6 | 0 | -104.3 | -168.8 | -43.5 | 0 | 0 | 114.9 | E4 N5 | M1-E4 WeakPolarHBondContact CA-OE2 3.33Å; M1-E4 PolarHBondContact N-OE2 2.92Å; M1-N5 WeakPolarHBondContact O-CB 3.34Å; M1-N5 PolarHBondContact O-N 3.11Å | |||
| 2 | L | 88.6 | Confident | 89.5 | Confident | 146 Ų | 146 | 122 Ų | 122 | 76% | 0.764 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -65.5 | -45.9 | -178.3 | -75.1 | 175.4 | 0 | 0 | 0 | 112.7 | N5 M6 | L2-N5 PolarHBondContact O-N 2.91Å; L2-M6 WeakPolarHBondContact O-CG 3.49Å; L2-M6 PolarHBondContact O-N 2.81Å |
| 3 | H | 86.4 | Confident | 89.6 | Confident | 137 Ų | 137 | 120.9 Ų | 120.9 | 63% | 0.634 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -57.5 | -51.5 | 178.1 | -179.8 | -89.7 | 0 | 0 | 0 | 112 | N5 M6 C7 | H3-N5 VanDerWaalsContact C-N 3.3Å; H3-N5 PolarHBondContact O-N 2.73Å; H3-M6 WeakPolarHBondContact O-CB 3.3Å; H3-M6 PolarHBondContact O-N 2.85Å; H3-M6 VanDerWaalsContact O-N 3.08Å; H3-C7 PolarHBondContact CE1-SG 3.12Å; H3-C7 PolarHBondContact O-N 3.22Å; H3-C7 PolarHBondContact O-SG 3.45Å |
| 4 | E | 89.7 | Confident | 89.6 | Confident | 117 Ų | 117 | 118.6 Ų | 118.6 | 55% | 0.547 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -57.1 | -43.2 | 178.6 | -66.6 | 152.4 | 156.6 | 0 | 0 | 112 | M1 M6 C7 E8 | M1-E4 WeakPolarHBondContact CA-OE2 3.33Å; M1-E4 PolarHBondContact N-OE2 2.92Å; E4-M6 PolarHBondContact O-N 2.91Å; E4-C7 PolarHBondContact O-N 2.75Å; E4-E8 WeakPolarHBondContact O-CB 3.43Å; E4-E8 WeakPolarHBondContact O-CG 3.12Å; E4-E8 PolarHBondContact O-N 2.81Å |
| 5 | N | 89 | Confident | 89.8 | Confident | 78 Ų | 78 | 116.6 Ų | 116.6 | 42% | 0.417 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.9 | -38.3 | 177.3 | -173.9 | -55.6 | 0 | 0 | 0 | 112.3 | M1 L2 H3 E8 R9 | M1-N5 WeakPolarHBondContact O-CB 3.34Å; M1-N5 PolarHBondContact O-N 3.11Å; L2-N5 PolarHBondContact O-N 2.91Å; H3-N5 VanDerWaalsContact C-N 3.3Å; H3-N5 PolarHBondContact O-N 2.73Å; N5-E8 PolarHBondContact O-N 2.85Å; N5-R9 WeakPolarHBondContact O-CB 3.49Å; N5-R9 WeakPolarHBondContact O-CG 3.25Å; N5-R9 PolarHBondContact O-N 3.04Å; N5-R9 PolarHBondContact OD1-NE 3.19Å |
| 6 | M | 90.5 | Very high | 90 | Very high | 81 Ų | 81 | 117.8 Ų | 117.8 | 40% | 0.399 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.6 | -47.4 | 175 | -67.8 | -64.4 | -174.4 | 0 | 0 | 111.2 | L2 H3 E4 E8 R9 Y10 | L2-M6 WeakPolarHBondContact O-CG 3.49Å; L2-M6 PolarHBondContact O-N 2.81Å; H3-M6 WeakPolarHBondContact O-CB 3.3Å; H3-M6 PolarHBondContact O-N 2.85Å; H3-M6 VanDerWaalsContact O-N 3.08Å; E4-M6 PolarHBondContact O-N 2.91Å; M6-E8 VanDerWaalsContact C-N 3.28Å; M6-E8 PolarHBondContact O-N 3.07Å; M6-R9 PolarHBondContact O-N 3.31Å; M6-R9 PolarHBondContact SD-NH2 3.43Å; M6-Y10 VanDerWaalsContact O-CD2 3.28Å; M6-Y10 WeakPolarHBondContact O-CD2 3.39Å; M6-Y10 PolarHBondContact O-N 3.2Å; M6-Y10 HydrophobicContact SD-CE2 3.98Å |
| 7 | C | 90.4 | Very high | 90.1 | Very high | 43 Ų | 43 | 118.5 Ų | 118.5 | 29% | 0.291 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60.7 | -37.6 | 177.1 | -62.2 | 0 | 0 | 0 | 0 | 112 | H3 E4 R11 | H3-C7 PolarHBondContact CE1-SG 3.12Å; H3-C7 PolarHBondContact O-N 3.22Å; H3-C7 PolarHBondContact O-SG 3.45Å; E4-C7 PolarHBondContact O-N 2.75Å; C7-R11 WeakPolarHBondContact O-CA 3.37Å; C7-R11 WeakPolarHBondContact O-CB 3.49Å; C7-R11 PolarHBondContact O-N 3.39Å |
| 8 | E | 92.2 | Very high | 90.1 | Very high | 129 Ų | 129 | 117.2 Ų | 117.2 | 60% | 0.603 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -67.7 | -42.3 | 175.7 | -77.2 | 179.9 | 172.4 | 0 | 0 | 112.5 | E4 N5 M6 | E4-E8 WeakPolarHBondContact O-CB 3.43Å; E4-E8 WeakPolarHBondContact O-CG 3.12Å; E4-E8 PolarHBondContact O-N 2.81Å; N5-E8 PolarHBondContact O-N 2.85Å; M6-E8 VanDerWaalsContact C-N 3.28Å; M6-E8 PolarHBondContact O-N 3.07Å |
| 9 | R | 94.4 | Very high | 90 | Very high | 149 Ų | 149 | 114.2 Ų | 114.2 | 56% | 0.562 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -69.7 | -32.5 | 180 | -77.6 | -167.2 | -73.1 | 157.3 | -3.5 | 113.8 | N5 M6 | N5-R9 WeakPolarHBondContact O-CB 3.49Å; N5-R9 WeakPolarHBondContact O-CG 3.25Å; N5-R9 PolarHBondContact O-N 3.04Å; N5-R9 PolarHBondContact OD1-NE 3.19Å; M6-R9 PolarHBondContact O-N 3.31Å; M6-R9 PolarHBondContact SD-NH2 3.43Å |
| 10 | Y | 92.9 | Very high | 89.8 | Confident | 113 Ų | 113 | 114.4 Ų | 114.4 | 44% | 0.443 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -108.7 | 15.1 | -177.9 | -60.8 | -65.8 | 0 | 0 | 0 | 113.3 | M6 D12 I13 L14 | M6-Y10 VanDerWaalsContact O-CD2 3.28Å; M6-Y10 WeakPolarHBondContact O-CD2 3.39Å; M6-Y10 PolarHBondContact O-N 3.2Å; M6-Y10 HydrophobicContact SD-CE2 3.98Å; Y10-D12 PolarHBondContact O-N 2.8Å; Y10-D12 VanDerWaalsContact O-N 3.1Å; Y10-I13 HydrophobicContact CD1-CD1 3.78Å; Y10-I13 HydrophobicContact CE1-CD1 4.43Å; Y10-I13 PolarHBondContact O-N 3.27Å; Y10-L14 WeakPolarHBondContact O-CG 3.38Å; Y10-L14 PolarHBondContact O-N 3.01Å |
| 11 | R | 93.6 | Very high | 89.6 | Confident | 160 Ų | 160 | 116.7 Ų | 116.7 | 60% | 0.604 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -46.3 | -45.7 | 179.9 | -178.8 | -168.4 | -64.4 | -106.1 | -1.3 | 111.9 | C7 L14 S15 | C7-R11 WeakPolarHBondContact O-CA 3.37Å; C7-R11 WeakPolarHBondContact O-CB 3.49Å; C7-R11 PolarHBondContact O-N 3.39Å; R11-L14 PolarHBondContact O-N 2.86Å; R11-S15 VanDerWaalsContact O-CB 3.25Å; R11-S15 WeakPolarHBondContact O-CB 3.32Å; R11-S15 PolarHBondContact O-N 3.41Å; R11-S15 PolarHBondContact O-OG 3.09Å |
| 12 | D | 92.3 | Very high | 90.3 | Very high | 123 Ų | 123 | 110.2 Ų | 110.2 | 66% | 0.658 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.4 | -47.8 | -178.2 | -61.4 | -24.1 | 0 | 0 | 0 | 111.1 | Y10 S15 M16 | Y10-D12 PolarHBondContact O-N 2.8Å; Y10-D12 VanDerWaalsContact O-N 3.1Å; D12-S15 WeakPolarHBondContact CA-OG 3.45Å; D12-S15 PolarHBondContact O-N 3.07Å; D12-S15 PolarHBondContact O-OG 3.41Å; D12-M16 WeakPolarHBondContact O-CG 3.34Å; D12-M16 PolarHBondContact O-N 2.92Å |
| 13 | I | 91.1 | Very high | 90.3 | Very high | 108 Ų | 108 | 108.9 Ų | 108.9 | 55% | 0.554 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.8 | -47.3 | 178.4 | -56.9 | -176.2 | 0 | 0 | 0 | 111 | Y10 S15 M16 | Y10-I13 HydrophobicContact CD1-CD1 3.78Å; Y10-I13 HydrophobicContact CE1-CD1 4.43Å; Y10-I13 PolarHBondContact O-N 3.27Å; I13-S15 PolarHBondContact O-N 3.49Å; I13-M16 WeakPolarHBondContact O-CB 3.29Å; I13-M16 PolarHBondContact O-N 2.94Å |
| 14 | L | 89.7 | Confident | 90.2 | Very high | 89 Ų | 89 | 105.5 Ų | 105.5 | 47% | 0.466 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.4 | -22.7 | 178.4 | -65.6 | 175.6 | 0 | 0 | 0 | 112.3 | Y10 R11 | Y10-L14 WeakPolarHBondContact O-CG 3.38Å; Y10-L14 PolarHBondContact O-N 3.01Å; R11-L14 PolarHBondContact O-N 2.86Å |
| 15 | S | 91.7 | Very high | 89.8 | Confident | 88 Ų | 88 | 103.6 Ų | 103.6 | 62% | 0.615 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | -6 | 175.1 | 73.7 | 0 | 0 | 0 | 0 | 114.3 | R11 D12 I13 | R11-S15 VanDerWaalsContact O-CB 3.25Å; R11-S15 WeakPolarHBondContact O-CB 3.32Å; R11-S15 PolarHBondContact O-N 3.41Å; R11-S15 PolarHBondContact O-OG 3.09Å; D12-S15 WeakPolarHBondContact CA-OG 3.45Å; D12-S15 PolarHBondContact O-N 3.07Å; D12-S15 PolarHBondContact O-OG 3.41Å; I13-S15 PolarHBondContact O-N 3.49Å |
| 16 | M | 92.8 | Very high | 89.4 | Confident | 135 Ų | 135 | 106.4 Ų | 106.4 | 67% | 0.665 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -71.2 | 140 | 176.4 | -69.5 | -177.6 | 65.4 | 0 | 0 | 110.8 | D12 I13 I18 | D12-M16 WeakPolarHBondContact O-CG 3.34Å; D12-M16 PolarHBondContact O-N 2.92Å; I13-M16 WeakPolarHBondContact O-CB 3.29Å; I13-M16 PolarHBondContact O-N 2.94Å; M16-I18 PolarHBondContact O-N 3.47Å |
| 17 | T | 92.9 | Very high | 88.7 | Confident | 130 Ų | 130 | 105.7 Ų | 105.7 | 80% | 0.798 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 130.1 | 167.9 | -53.1 | 0 | 0 | 0 | 0 | 109.2 | P19 | T17-P19 WeakPolarHBondContact O-CD 3.46Š|
| 18 | I | 89.6 | Confident | 87.7 | Confident | 95 Ų | 95 | 107.1 Ų | 107.1 | 49% | 0.487 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -67.7 | 121.8 | 174.8 | -56 | 175.2 | 0 | 0 | 0 | 107.8 | M16 V22 L23 | M16-I18 PolarHBondContact O-N 3.47Å; I18-V22 HydrophobicContact CG2-CB 3.73Å; I18-V22 HydrophobicContact CG2-CG1 3.78Å; I18-L23 HydrophobicContact CB-CD2 4.28Å; I18-L23 HydrophobicContact CB-CG 4.36Å; I18-L23 HydrophobicContact CD1-CD2 4.3Å; I18-L23 HydrophobicContact CG2-CD1 4.46Å; I18-L23 HydrophobicContact CG2-CD2 3.69Å; I18-L23 HydrophobicContact CG2-CG 3.75Å |
| 19 | P | 88.3 | Confident | 86.4 | Confident | 61 Ų | 61 | 104.4 Ų | 104.4 | 40% | 0.396 | 53% | 0.531 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 146.8 | 176.3 | -22.5 | 33.6 | 0 | 0 | 0 | 112.2 | T17 W21 V22 L23 | T17-P19 WeakPolarHBondContact O-CD 3.46Å; P19-W21 VanDerWaalsContact C-N 3.27Å; P19-W21 VanDerWaalsContact CB-CD1 3.47Å; P19-W21 HydrophobicContact CB-CG 4.28Å; P19-W21 HydrophobicContact CG-CZ2 4.47Å; P19-W21 PolarHBondContact O-N 2.9Å; P19-V22 HydrophobicContact CB-CG2 4.25Å; P19-V22 HydrophobicContact CG-CG2 4.28Å; P19-V22 WeakPolarHBondContact O-CB 3.3Å; P19-V22 PolarHBondContact O-N 3.49Å; P19-L23 PolarHBondContact O-N 3.36Å |
| 20 | D | 85.8 | Confident | 85.1 | Confident | 117 Ų | 117 | 100.3 Ų | 100.3 | 63% | 0.626 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -58.4 | -36.4 | -176.5 | -63 | -37 | 0 | 0 | 0 | 113.1 | V22 L23 D24 | D20-V22 PolarHBondContact O-N 2.7Å; D20-L23 PolarHBondContact O-N 2.91Å; D20-D24 PolarHBondContact O-N 3.28Å |
| 21 | W | 85.8 | Confident | 83.7 | Confident | 164 Ų | 164 | 102.8 Ų | 102.8 | 62% | 0.621 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.6 | -21.1 | 176.6 | 66.8 | -97.6 | 0 | 0 | 0 | 113.9 | P19 D24 P25 | P19-W21 VanDerWaalsContact C-N 3.27Å; P19-W21 VanDerWaalsContact CB-CD1 3.47Å; P19-W21 HydrophobicContact CB-CG 4.28Å; P19-W21 HydrophobicContact CG-CZ2 4.47Å; P19-W21 PolarHBondContact O-N 2.9Å; W21-D24 CarbonylContact O-C 3.54Å; W21-P25 VanDerWaalsContact O-CA 3.26Å; W21-P25 WeakPolarHBondContact O-CA 3.09Å |
| 22 | V | 88.3 | Confident | 82.4 | Confident | 51 Ų | 51 | 97.8 Ų | 97.8 | 31% | 0.309 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -79.2 | -37.7 | 173 | 179.2 | 0 | 0 | 0 | 0 | 110.3 | I18 P19 D20 | I18-V22 HydrophobicContact CG2-CB 3.73Å; I18-V22 HydrophobicContact CG2-CG1 3.78Å; P19-V22 HydrophobicContact CB-CG2 4.25Å; P19-V22 HydrophobicContact CG-CG2 4.28Å; P19-V22 WeakPolarHBondContact O-CB 3.3Å; P19-V22 PolarHBondContact O-N 3.49Å; D20-V22 PolarHBondContact O-N 2.7Å |
| 23 | L | 88.1 | Confident | 81.3 | Confident | 118 Ų | 118 | 97.5 Ų | 97.5 | 62% | 0.618 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -73.9 | -39.3 | 178.6 | -63.6 | 177.5 | 0 | 0 | 0 | 111.6 | I18 P19 D20 | I18-L23 HydrophobicContact CB-CD2 4.28Å; I18-L23 HydrophobicContact CB-CG 4.36Å; I18-L23 HydrophobicContact CD1-CD2 4.3Å; I18-L23 HydrophobicContact CG2-CD1 4.46Å; I18-L23 HydrophobicContact CG2-CD2 3.69Å; I18-L23 HydrophobicContact CG2-CG 3.75Å; P19-L23 PolarHBondContact O-N 3.36Å; D20-L23 PolarHBondContact O-N 2.91Å |
| 24 | D | 85 | Confident | 80.4 | Confident | 67 Ų | 67 | 96.3 Ų | 96.3 | 36% | 0.358 | 52% | 0.524 | S | S | . | . | trans | -142.9 | 97.9 | 176.4 | -176.1 | -7.2 | 0 | 0 | 0 | 109.5 | D20 W21 F26 T27 | D20-D24 PolarHBondContact O-N 3.28Å; W21-D24 CarbonylContact O-C 3.54Å; D24-F26 PolarHBondContact O-N 3.44Å; D24-F26 WeakPolarHBondContact OD1-CA 3.28Å; D24-F26 WeakPolarHBondContact OD1-CB 3.43Å; D24-F26 PolarHBondContact OD1-N 3.47Å; D24-T27 HydrophobicContact CB-CG2 3.66Å; D24-T27 PolarHBondContact O-N 3Å; D24-T27 PolarHBondContact O-OG1 3.08Å; D24-T27 PolarHBondContact OD1-N 3.47Å; D24-T27 WeakPolarHBondContact OD2-CG2 3.33Å | ||
| 25 | P | 81.8 | Confident | 79.7 | Confident | 76 Ų | 76 | 94.6 Ų | 94.6 | 49% | 0.494 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -21.2 | 176.6 | -24.9 | 34.5 | 0 | 0 | 0 | 113.6 | W21 | W21-P25 VanDerWaalsContact O-CA 3.26Å; W21-P25 WeakPolarHBondContact O-CA 3.09Å |
| 26 | F | 80.6 | Confident | 79 | Confident | 137 Ų | 137 | 97.2 Ų | 97.2 | 60% | 0.601 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -7.4 | -177.1 | -51.7 | -86.3 | 0 | 0 | 0 | 113.2 | D24 C28 L29 A30 | D24-F26 PolarHBondContact O-N 3.44Å; D24-F26 WeakPolarHBondContact OD1-CA 3.28Å; D24-F26 WeakPolarHBondContact OD1-CB 3.43Å; D24-F26 PolarHBondContact OD1-N 3.47Å; F26-C28 VanDerWaalsContact C-N 3.31Å; F26-C28 PolarHBondContact O-N 3.27Å; F26-L29 HydrophobicContact CB-CB 4.49Å; F26-L29 HydrophobicContact CB-CD1 4.3Å; F26-L29 HydrophobicContact CD1-CD1 3.35Å; F26-L29 HydrophobicContact CE1-CD1 3.97Å; F26-L29 HydrophobicContact CG-CD1 4.14Å; F26-L29 WeakPolarHBondContact O-CB 3.2Å; F26-L29 PolarHBondContact O-N 3.43Å; F26-A30 PolarHBondContact O-N 2.89Å |
| 27 | T | 75.8 | Confident | 78.3 | Confident | 66 Ų | 66 | 95.7 Ų | 95.7 | 41% | 0.405 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -44 | 175.4 | 37.2 | 0 | 0 | 0 | 0 | 112 | D24 L29 | D24-T27 HydrophobicContact CB-CG2 3.66Å; D24-T27 PolarHBondContact O-N 3Å; D24-T27 PolarHBondContact O-OG1 3.08Å; D24-T27 PolarHBondContact OD1-N 3.47Å; D24-T27 WeakPolarHBondContact OD2-CG2 3.33Å; T27-L29 VanDerWaalsContact C-N 3.28Å; T27-L29 PolarHBondContact O-N 3.06Å |
| 28 | C | 68.2 | Low | 77.8 | Confident | 74 Ų | 74 | 95.5 Ų | 95.5 | 50% | 0.5 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -20.3 | 176 | -67.3 | 0 | 0 | 0 | 0 | 113 | F26 A30 V32 | F26-C28 VanDerWaalsContact C-N 3.31Å; F26-C28 PolarHBondContact O-N 3.27Å; C28-A30 VanDerWaalsContact C-N 3.32Å; C28-A30 PolarHBondContact O-N 3.32Å; C28-V32 WeakPolarHBondContact O-CB 3.49Å; C28-V32 WeakPolarHBondContact O-CG2 3.42Å; C28-V32 PolarHBondContact O-N 3.24Å |
| 29 | L | 65.9 | Low | 77.4 | Confident | 72 Ų | 72 | 96 Ų | 96 | 38% | 0.377 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -72.7 | -24.6 | -177.5 | -71 | 173.7 | 0 | 0 | 0 | 112.3 | F26 T27 E31 V32 E33 | F26-L29 HydrophobicContact CB-CB 4.49Å; F26-L29 HydrophobicContact CB-CD1 4.3Å; F26-L29 HydrophobicContact CD1-CD1 3.35Å; F26-L29 HydrophobicContact CE1-CD1 3.97Å; F26-L29 HydrophobicContact CG-CD1 4.14Å; F26-L29 WeakPolarHBondContact O-CB 3.2Å; F26-L29 PolarHBondContact O-N 3.43Å; T27-L29 VanDerWaalsContact C-N 3.28Å; T27-L29 PolarHBondContact O-N 3.06Å; L29-E31 PolarHBondContact O-N 3.42Å; L29-V32 PolarHBondContact O-N 2.93Å; L29-E33 WeakPolarHBondContact O-CA 3.27Å; L29-E33 WeakPolarHBondContact O-CB 3.13Å; L29-E33 PolarHBondContact O-N 2.95Å |
| 30 | A | 66.2 | Low | 77.1 | Confident | 63 Ų | 63 | 97.9 Ų | 97.9 | 52% | 0.521 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.3 | -42 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | F26 C28 V34 | F26-A30 PolarHBondContact O-N 2.89Å; C28-A30 VanDerWaalsContact C-N 3.32Å; C28-A30 PolarHBondContact O-N 3.32Å; A30-V34 WeakPolarHBondContact O-CG2 3.38Å |
| 31 | E | 64.2 | Low | 77.1 | Confident | 165 Ų | 165 | 97 Ų | 97 | 77% | 0.771 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -80.2 | -37 | 178.3 | -64.3 | -176.8 | 173.8 | 0 | 0 | 111.8 | L29 A35 | L29-E31 PolarHBondContact O-N 3.42Å; E31-A35 PolarHBondContact O-N 3.43Å |
| 32 | V | 66.9 | Low | 77 | Confident | 54 Ų | 54 | 96.2 Ų | 96.2 | 33% | 0.327 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -73 | -35.1 | -178.2 | 171.4 | 0 | 0 | 0 | 0 | 111.7 | C28 L29 A35 Y36 | C28-V32 WeakPolarHBondContact O-CB 3.49Å; C28-V32 WeakPolarHBondContact O-CG2 3.42Å; C28-V32 PolarHBondContact O-N 3.24Å; L29-V32 PolarHBondContact O-N 2.93Å; V32-A35 PolarHBondContact O-N 2.68Å; V32-Y36 HydrophobicContact CG1-CD2 3.46Å; V32-Y36 VanDerWaalsContact CG1-CD2 3.46Å; V32-Y36 HydrophobicContact CG1-CE2 3.07Å; V32-Y36 WeakPolarHBondContact O-CD2 3.44Å; V32-Y36 PolarHBondContact O-N 2.9Å |
| 33 | E | 69 | Low | 76.6 | Confident | 118 Ų | 118 | 98.7 Ų | 98.7 | 55% | 0.551 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.1 | -39.8 | 176.8 | -176.2 | 170.3 | -165.8 | 0 | 0 | 111.4 | L29 Y36 Q37 | L29-E33 WeakPolarHBondContact O-CA 3.27Å; L29-E33 WeakPolarHBondContact O-CB 3.13Å; L29-E33 PolarHBondContact O-N 2.95Å; E33-Y36 PolarHBondContact O-N 3.12Å; E33-Q37 HydrophobicContact CG-CG 4.48Å; E33-Q37 WeakPolarHBondContact O-CB 3.5Å; E33-Q37 WeakPolarHBondContact O-CG 3.44Å; E33-Q37 PolarHBondContact O-N 2.96Å |
| 34 | V | 72.6 | Confident | 76.2 | Confident | 82 Ų | 82 | 100.4 Ų | 100.4 | 50% | 0.497 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.2 | -45.2 | 173.9 | 176.9 | 0 | 0 | 0 | 0 | 110.6 | A30 Y36 Q37 E38 | A30-V34 WeakPolarHBondContact O-CG2 3.38Å; V34-Y36 PolarHBondContact O-N 3.41Å; V34-Q37 PolarHBondContact O-N 3.42Å; V34-E38 WeakPolarHBondContact O-CG 3.09Å; V34-E38 PolarHBondContact O-N 3.22Å |
| 35 | A | 74.4 | Confident | 76 | Confident | 54 Ų | 54 | 100.5 Ų | 100.5 | 45% | 0.446 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.2 | -42.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E31 V32 E38 E39 | E31-A35 PolarHBondContact O-N 3.43Å; V32-A35 PolarHBondContact O-N 2.68Å; A35-E38 PolarHBondContact O-N 3.27Å; A35-E39 PolarHBondContact O-N 2.94Å |
| 36 | Y | 77.3 | Confident | 76 | Confident | 142 Ų | 142 | 99.5 Ų | 99.5 | 56% | 0.557 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.6 | -36.8 | 176.1 | -74.3 | -49.6 | 0 | 0 | 0 | 113 | V32 E33 V34 E39 L40 | V32-Y36 HydrophobicContact CG1-CD2 3.46Å; V32-Y36 VanDerWaalsContact CG1-CD2 3.46Å; V32-Y36 HydrophobicContact CG1-CE2 3.07Å; V32-Y36 WeakPolarHBondContact O-CD2 3.44Å; V32-Y36 PolarHBondContact O-N 2.9Å; E33-Y36 PolarHBondContact O-N 3.12Å; V34-Y36 PolarHBondContact O-N 3.41Å; Y36-E39 PolarHBondContact O-N 3.42Å; Y36-L40 VanDerWaalsContact O-CG 3.28Å; Y36-L40 WeakPolarHBondContact O-CG 3.42Å; Y36-L40 PolarHBondContact O-N 2.93Å |
| 37 | Q | 78.3 | Confident | 75.7 | Confident | 104 Ų | 104 | 99.6 Ų | 99.6 | 49% | 0.486 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 173.9 | -71.9 | -94.7 | 3.9 | 0 | 0 | 110.9 | E33 V34 L40 I41 | E33-Q37 HydrophobicContact CG-CG 4.48Å; E33-Q37 WeakPolarHBondContact O-CB 3.5Å; E33-Q37 WeakPolarHBondContact O-CG 3.44Å; E33-Q37 PolarHBondContact O-N 2.96Å; V34-Q37 PolarHBondContact O-N 3.42Å; Q37-L40 PolarHBondContact O-N 3.44Å; Q37-I41 WeakPolarHBondContact O-CD1 2.99Å; Q37-I41 WeakPolarHBondContact O-CG1 3.45Å; Q37-I41 PolarHBondContact O-N 3.26Å |
| 38 | E | 82 | Confident | 75.7 | Confident | 125 Ų | 125 | 104.7 Ų | 104.7 | 58% | 0.584 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.7 | -44.3 | 176 | -72.9 | -179.6 | 177.2 | 0 | 0 | 112.1 | V34 A35 L40 I41 E42 | V34-E38 WeakPolarHBondContact O-CG 3.09Å; V34-E38 PolarHBondContact O-N 3.22Å; A35-E38 PolarHBondContact O-N 3.27Å; E38-L40 PolarHBondContact O-N 3.45Å; E38-I41 PolarHBondContact O-N 2.91Å; E38-E42 PolarHBondContact O-N 3.4Å |
| 39 | E | 79.8 | Confident | 75.7 | Confident | 107 Ų | 107 | 106 Ų | 106 | 50% | 0.5 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.7 | -43.8 | 175.8 | -173.6 | -179.3 | -178.5 | 0 | 0 | 111.8 | A35 Y36 I41 E42 M43 | A35-E39 PolarHBondContact O-N 2.94Å; Y36-E39 PolarHBondContact O-N 3.42Å; E39-I41 PolarHBondContact O-N 2.94Å; E39-E42 PolarHBondContact O-N 3.38Å; E39-M43 WeakPolarHBondContact O-CB 3.26Å; E39-M43 WeakPolarHBondContact O-CG 3.4Å; E39-M43 PolarHBondContact O-N 2.95Å |
| 40 | L | 83.4 | Confident | 75.9 | Confident | 99 Ų | 99 | 107.8 Ų | 107.8 | 52% | 0.518 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.9 | -38.6 | 176.5 | -70.4 | 175.8 | 0 | 0 | 0 | 112.2 | Y36 Q37 E38 M43 Q44 | Y36-L40 VanDerWaalsContact O-CG 3.28Å; Y36-L40 WeakPolarHBondContact O-CG 3.42Å; Y36-L40 PolarHBondContact O-N 2.93Å; Q37-L40 PolarHBondContact O-N 3.44Å; E38-L40 PolarHBondContact O-N 3.45Å; L40-M43 PolarHBondContact O-N 3.35Å; L40-Q44 WeakPolarHBondContact O-CB 3.19Å; L40-Q44 VanDerWaalsContact O-CG 3.32Å; L40-Q44 WeakPolarHBondContact O-CG 3.4Å; L40-Q44 PolarHBondContact O-N 3.21Å |
| 41 | I | 85.3 | Confident | 75.8 | Confident | 98 Ų | 98 | 110.5 Ų | 110.5 | 50% | 0.503 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.3 | -44.4 | 176.1 | -69.3 | 162.7 | 0 | 0 | 0 | 110.3 | Q37 E38 E39 M43 Q44 A45 | Q37-I41 WeakPolarHBondContact O-CD1 2.99Å; Q37-I41 WeakPolarHBondContact O-CG1 3.45Å; Q37-I41 PolarHBondContact O-N 3.26Å; E38-I41 PolarHBondContact O-N 2.91Å; E39-I41 PolarHBondContact O-N 2.94Å; I41-M43 VanDerWaalsContact C-N 3.33Å; I41-M43 PolarHBondContact O-N 3.22Å; I41-Q44 PolarHBondContact O-N 3.1Å; I41-A45 VanDerWaalsContact O-CB 3.25Å; I41-A45 WeakPolarHBondContact O-CB 3.36Å; I41-A45 PolarHBondContact O-N 2.99Å |
| 42 | E | 83.5 | Confident | 76 | Confident | 149 Ų | 149 | 111.2 Ų | 111.2 | 70% | 0.696 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -60.3 | -44 | 175.7 | -174 | 177.7 | -178.9 | 0 | 0 | 111 | E38 E39 Q44 A45 N46 | E38-E42 PolarHBondContact O-N 3.4Å; E39-E42 PolarHBondContact O-N 3.38Å; E42-Q44 PolarHBondContact O-N 3.04Å; E42-A45 PolarHBondContact O-N 3.01Å; E42-N46 WeakPolarHBondContact O-CB 3.48Å; E42-N46 PolarHBondContact O-N 3.36Å |
| 43 | M | 80.6 | Confident | 75.9 | Confident | 103 Ų | 103 | 116.4 Ų | 116.4 | 51% | 0.507 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -62.1 | -41.9 | 175.3 | -76.5 | -173.4 | 59 | 0 | 0 | 113.2 | E39 L40 I41 N46 | E39-M43 WeakPolarHBondContact O-CB 3.26Å; E39-M43 WeakPolarHBondContact O-CG 3.4Å; E39-M43 PolarHBondContact O-N 2.95Å; L40-M43 PolarHBondContact O-N 3.35Å; I41-M43 VanDerWaalsContact C-N 3.33Å; I41-M43 PolarHBondContact O-N 3.22Å; M43-N46 WeakPolarHBondContact O-CB 3.43Å; M43-N46 PolarHBondContact O-N 3.38Å |
| 44 | Q | 78.7 | Confident | 75.5 | Confident | 154 Ų | 154 | 120.3 Ų | 120.3 | 72% | 0.72 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -71 | -35 | 178.1 | -75.5 | -179 | -9.3 | 0 | 0 | 112.7 | L40 I41 E42 N46 | L40-Q44 WeakPolarHBondContact O-CB 3.19Å; L40-Q44 VanDerWaalsContact O-CG 3.32Å; L40-Q44 WeakPolarHBondContact O-CG 3.4Å; L40-Q44 PolarHBondContact O-N 3.21Å; I41-Q44 PolarHBondContact O-N 3.1Å; E42-Q44 PolarHBondContact O-N 3.04Å; Q44-N46 VanDerWaalsContact C-N 3.27Å |
| 45 | A | 82.3 | Confident | 74.7 | Confident | 68 Ų | 68 | 119 Ų | 119 | 56% | 0.562 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -74.1 | -19.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | I41 E42 E47 | I41-A45 VanDerWaalsContact O-CB 3.25Å; I41-A45 WeakPolarHBondContact O-CB 3.36Å; I41-A45 PolarHBondContact O-N 2.99Å; E42-A45 PolarHBondContact O-N 3.01Å; A45-E47 PolarHBondContact O-N 2.73Å |
| 46 | N | 80.6 | Confident | 73.3 | Confident | 55 Ų | 55 | 119.7 Ų | 119.7 | 29% | 0.294 | 62% | 0.615 | S | S | . | * | trans | -66.9 | 105.6 | 178.6 | -169.7 | 1 | 0 | 0 | 0 | 111.6 | E42 M43 Q44 E48 L49 K50 | E42-N46 WeakPolarHBondContact O-CB 3.48Å; E42-N46 PolarHBondContact O-N 3.36Å; M43-N46 WeakPolarHBondContact O-CB 3.43Å; M43-N46 PolarHBondContact O-N 3.38Å; Q44-N46 VanDerWaalsContact C-N 3.27Å; N46-E48 PolarHBondContact O-N 2.78Å; N46-E48 WeakPolarHBondContact OD1-CB 3.34Å; N46-E48 PolarHBondContact OD1-N 3.15Å; N46-E48 VanDerWaalsContact OD1-N 3.12Å; N46-L49 HydrophobicContact CB-CB 4.2Å; N46-L49 HydrophobicContact CB-CD1 3.99Å; N46-L49 HydrophobicContact CB-CG 4.14Å; N46-L49 VanDerWaalsContact ND2-CD1 3.34Å; N46-L49 WeakPolarHBondContact ND2-CD1 3.42Å; N46-L49 VanDerWaalsContact ND2-CG 3.3Å; N46-L49 WeakPolarHBondContact ND2-CG 3.38Å; N46-L49 PolarHBondContact O-N 3.38Å; N46-L49 VanDerWaalsContact O-N 3.07Å; N46-K50 PolarHBondContact O-N 3.31Å | ||
| 47 | E | 74.6 | Confident | 72.2 | Confident | 140 Ų | 140 | 122 Ų | 122 | 65% | 0.654 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -20.6 | 179.4 | -57.8 | -157.7 | 135.7 | 0 | 0 | 113.5 | A45 K50 | A45-E47 PolarHBondContact O-N 2.73Å; E47-K50 HydrophobicContact CB-CD 4.49Å; E47-K50 IonicContact OE1-NZ 3.45Å; E47-K50 PolarHBondContact OE1-NZ 3.38Å |
| 48 | E | 76.2 | Confident | 70.8 | Confident | 172 Ų | 172 | 122.9 Ų | 122.9 | 80% | 0.804 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | -32.1 | 174.5 | -60.8 | -167.6 | 127.5 | 0 | 0 | 112.2 | N46 | N46-E48 PolarHBondContact O-N 2.78Å; N46-E48 WeakPolarHBondContact OD1-CB 3.34Å; N46-E48 PolarHBondContact OD1-N 3.15Å; N46-E48 VanDerWaalsContact OD1-N 3.12Å |
| 49 | L | 68.5 | Low | 69.4 | Low | 103 Ų | 103 | 123.3 Ų | 123.3 | 54% | 0.539 | 64% | 0.643 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.1 | -9.4 | 178.8 | -63.9 | 175.6 | 0 | 0 | 0 | 112.8 | N46 P51 | N46-L49 HydrophobicContact CB-CB 4.2Å; N46-L49 HydrophobicContact CB-CD1 3.99Å; N46-L49 HydrophobicContact CB-CG 4.14Å; N46-L49 VanDerWaalsContact ND2-CD1 3.34Å; N46-L49 WeakPolarHBondContact ND2-CD1 3.42Å; N46-L49 VanDerWaalsContact ND2-CG 3.3Å; N46-L49 WeakPolarHBondContact ND2-CG 3.38Å; N46-L49 PolarHBondContact O-N 3.38Å; N46-L49 VanDerWaalsContact O-N 3.07Å; L49-P51 WeakPolarHBondContact O-CD 3.34Å; L49-P51 VanDerWaalsContact O-N 3.13Å |
| 50 | K | 68.7 | Low | 67.9 | Low | 108 Ų | 108 | 126.1 Ų | 126.1 | 47% | 0.47 | 66% | 0.661 | S | S | . | * | S | Bend | trans | -54.9 | 121 | 170.1 | -80.6 | 180 | 176.9 | 166.4 | 0 | 108.6 | N46 E47 K52 | N46-K50 PolarHBondContact O-N 3.31Å; E47-K50 HydrophobicContact CB-CD 4.49Å; E47-K50 IonicContact OE1-NZ 3.45Å; E47-K50 PolarHBondContact OE1-NZ 3.38Å; K50-K52 PolarHBondContact O-N 3.47Å |
| 51 | P | 65.7 | Low | 66.1 | Low | 121 Ų | 121 | 123.9 Ų | 123.9 | 79% | 0.786 | 66% | 0.662 | S | S | * | * | trans | -60.7 | 108.3 | 175.8 | 19.3 | -26.5 | 0 | 0 | 0 | 108.4 | L49 M53 | L49-P51 WeakPolarHBondContact O-CD 3.34Å; L49-P51 VanDerWaalsContact O-N 3.13Å; P51-M53 PolarHBondContact O-N 3.2Å | ||
| 52 | K | 68.4 | Low | 64.2 | Low | 179 Ų | 179 | 126.6 Ų | 126.6 | 78% | 0.778 | 68% | 0.683 | S | S | * | * | trans | -69.8 | 79.8 | 167.8 | -70.8 | 179.8 | 178.4 | 164 | 0 | 106.7 | K50 K54 | K50-K52 PolarHBondContact O-N 3.47Å; K52-K54 PolarHBondContact O-N 3.22Å | ||
| 53 | M | 63.9 | Low | 62.2 | Low | 164 Ų | 164 | 123.4 Ų | 123.4 | 81% | 0.808 | 68% | 0.682 | S | S | * | * | trans | -68.7 | 80.1 | 171 | -171.1 | 150 | 73.9 | 0 | 0 | 108 | P51 | P51-M53 PolarHBondContact O-N 3.2Š| ||
| 54 | K | 61.2 | Low | 60.3 | Low | 199 Ų | 199 | 124.8 Ų | 124.8 | 87% | 0.865 | 70% | 0.697 | S | S | * | * | trans | -113 | 89 | -177.1 | -158.5 | 173.6 | -173 | -179.3 | 0 | 107.1 | K52 | K52-K54 PolarHBondContact O-N 3.22Š| ||
| 55 | G | 55.5 | Low | 58.9 | Low | 54 Ų | 54 | 122.3 Ų | 122.3 | 56% | 0.557 | 70% | 0.696 | S | S | * | * | S | Bend | trans | 128.8 | 112.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 56 | G | 45.5 | Very low | 57.6 | Low | 70 Ų | 70 | 124.6 Ų | 124.6 | 72% | 0.722 | 70% | 0.703 | S | S | * | * | trans | -61.3 | 135.8 | 171 | 0 | 0 | 0 | 0 | 0 | 110.5 | T58 | G56-T58 PolarHBondContact O-N 3.06Š| ||
| 57 | Y | 54 | Low | 56.5 | Low | 190 Ų | 190 | 127.6 Ų | 127.6 | 75% | 0.745 | 72% | 0.724 | S | S | * | * | trans | -71.5 | 79.5 | 162.7 | -41.5 | -83.9 | 0 | 0 | 0 | 107.5 | N59 | Y57-N59 PolarHBondContact O-N 3.48Š| ||
| 58 | T | 49.1 | Very low | 56 | Low | 122 Ų | 122 | 124.5 Ų | 124.5 | 75% | 0.748 | 72% | 0.716 | S | S | * | * | trans | -67.6 | 80.7 | 152.3 | 46.8 | 0 | 0 | 0 | 0 | 106.4 | G56 D60 | G56-T58 PolarHBondContact O-N 3.06Å; T58-D60 PolarHBondContact O-N 3.02Å; T58-D60 VanDerWaalsContact O-N 3.11Å | ||
| 59 | N | 51.1 | Low | 55.8 | Low | 134 Ų | 134 | 121.2 Ų | 121.2 | 72% | 0.717 | 70% | 0.704 | S | S | * | * | trans | -78 | 84.2 | 166.1 | -77.2 | -25.3 | 0 | 0 | 0 | 107.2 | Y57 G61 | Y57-N59 PolarHBondContact O-N 3.48Å; N59-G61 PolarHBondContact O-N 2.79Å | ||
| 60 | D | 49.2 | Very low | 56.2 | Low | 166 Ų | 166 | 123.4 Ų | 123.4 | 89% | 0.888 | 71% | 0.712 | S | S | * | * | trans | -61.8 | 88.1 | 152.5 | -73.6 | -43.8 | 0 | 0 | 0 | 107.1 | T58 | T58-D60 PolarHBondContact O-N 3.02Å; T58-D60 VanDerWaalsContact O-N 3.11Å | ||
| 61 | G | 44.5 | Very low | 56.5 | Low | 53 Ų | 53 | 124.9 Ų | 124.9 | 55% | 0.546 | 72% | 0.72 | S | S | . | * | S | Bend | trans | 166.8 | 84.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | N59 A63 | N59-G61 PolarHBondContact O-N 2.79Å; G61-A63 PolarHBondContact O-N 2.9Å |
| 62 | V | 46.2 | Very low | 57.1 | Low | 154 Ų | 154 | 121 Ų | 121 | 93% | 0.933 | 70% | 0.699 | S | S | * | * | trans | -45.4 | 96.9 | 172.1 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 63 | A | 42.5 | Very low | 57.8 | Low | 83 Ų | 83 | 116.1 Ų | 116.1 | 69% | 0.686 | 68% | 0.68 | S | S | * | * | trans | -145.1 | 109 | 149.2 | 0 | 0 | 0 | 0 | 0 | 104.1 | G61 S65 | G61-A63 PolarHBondContact O-N 2.9Å; A63-S65 PolarHBondContact O-N 2.96Å | ||
| 64 | T | 40.1 | Very low | 58.5 | Low | 132 Ų | 132 | 114.7 Ų | 114.7 | 81% | 0.81 | 67% | 0.669 | S | S | * | * | trans | -64.6 | 74.4 | 178.2 | 50.2 | 0 | 0 | 0 | 0 | 109.7 | T66 | T64-T66 PolarHBondContact O-N 3.48Š| ||
| 65 | S | 49.7 | Very low | 59.4 | Low | 102 Ų | 102 | 111 Ų | 111 | 71% | 0.713 | 66% | 0.656 | S | S | * | * | trans | -88.9 | 70.4 | 160.4 | -177.4 | 0 | 0 | 0 | 0 | 106.4 | A63 T67 | A63-S65 PolarHBondContact O-N 2.96Å; S65-T67 VanDerWaalsContact C-N 3.25Å; S65-T67 PolarHBondContact O-N 3.23Å | ||
| 66 | T | 53.5 | Low | 60.7 | Low | 115 Ų | 115 | 111.9 Ų | 111.9 | 71% | 0.706 | 65% | 0.65 | S | S | * | * | trans | -57.9 | 100.1 | 163 | -62.1 | 0 | 0 | 0 | 0 | 105.3 | T64 P68 | T64-T66 PolarHBondContact O-N 3.48Å; T66-P68 WeakPolarHBondContact O-CD 3.45Å | ||
| 67 | T | 59.1 | Low | 62.4 | Low | 118 Ų | 118 | 112.4 Ų | 112.4 | 72% | 0.724 | 64% | 0.635 | S | S | * | * | trans | -53.8 | 107.7 | 160.9 | 40.3 | 0 | 0 | 0 | 0 | 105 | S65 D69 | S65-T67 VanDerWaalsContact C-N 3.25Å; S65-T67 PolarHBondContact O-N 3.23Å; T67-D69 PolarHBondContact O-N 3.06Å | ||
| 68 | P | 63.8 | Low | 63.7 | Low | 76 Ų | 76 | 105.5 Ų | 105.5 | 49% | 0.494 | 61% | 0.611 | S | S | . | * | trans | -63.4 | 128.7 | -177.7 | 23.3 | -25.1 | 0 | 0 | 0 | 106.4 | T66 Q70 I73 | T66-P68 WeakPolarHBondContact O-CD 3.45Å; P68-Q70 PolarHBondContact O-N 3.02Å; P68-I73 HydrophobicContact CB-CG1 3.95Å; P68-I73 HydrophobicContact CG-CD1 3.99Å; P68-I73 HydrophobicContact CG-CG1 3.74Å | ||
| 69 | D | 72.8 | Confident | 65 | Low | 103 Ų | 103 | 103.9 Ų | 103.9 | 55% | 0.551 | 61% | 0.605 | S | S | * | * | trans | -43.1 | 136.4 | 170.9 | 174 | 39.9 | 0 | 0 | 0 | 109.2 | T67 Q71 A72 I73 | T67-D69 PolarHBondContact O-N 3.06Å; D69-Q71 PolarHBondContact O-N 3.45Å; D69-Q71 WeakPolarHBondContact OD2-CB 3.34Å; D69-A72 HydrophobicContact CB-CB 4.14Å; D69-A72 WeakPolarHBondContact O-CA 3.46Å; D69-A72 VanDerWaalsContact O-CB 3.29Å; D69-A72 WeakPolarHBondContact O-CB 3.39Å; D69-A72 PolarHBondContact O-N 3.34Å; D69-I73 PolarHBondContact O-N 2.84Å; D69-I73 VanDerWaalsContact O-N 3.09Å | ||
| 70 | Q | 75.9 | Confident | 66.3 | Low | 149 Ų | 149 | 105 Ų | 105 | 70% | 0.696 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -55.1 | -34.5 | -175.6 | -75.3 | -164.8 | -36.2 | 0 | 0 | 111 | P68 I73 F74 | P68-Q70 PolarHBondContact O-N 3.02Å; Q70-I73 WeakPolarHBondContact O-CB 3.4Å; Q70-I73 PolarHBondContact O-N 2.92Å; Q70-F74 WeakPolarHBondContact O-CD2 3.48Å; Q70-F74 PolarHBondContact O-N 3.41Å; Q70-F74 VanDerWaalsContact O-N 3.08Å |
| 71 | Q | 75.8 | Confident | 67.5 | Low | 138 Ų | 138 | 101 Ų | 101 | 65% | 0.645 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66.8 | -35.7 | 174.5 | -56.9 | -158 | 55.1 | 0 | 0 | 113.1 | D69 I73 F74 Q75 | D69-Q71 PolarHBondContact O-N 3.45Å; D69-Q71 WeakPolarHBondContact OD2-CB 3.34Å; Q71-I73 VanDerWaalsContact C-N 3.3Å; Q71-I73 PolarHBondContact O-N 3.2Å; Q71-F74 PolarHBondContact O-N 2.64Å; Q71-Q75 WeakPolarHBondContact O-CG 3.47Å; Q71-Q75 PolarHBondContact O-N 3.43Å |
| 72 | A | 77.5 | Confident | 68.8 | Low | 41 Ų | 41 | 101.7 Ų | 101.7 | 34% | 0.339 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64.9 | -36.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | D69 T76 | D69-A72 HydrophobicContact CB-CB 4.14Å; D69-A72 WeakPolarHBondContact O-CA 3.46Å; D69-A72 VanDerWaalsContact O-CB 3.29Å; D69-A72 WeakPolarHBondContact O-CB 3.39Å; D69-A72 PolarHBondContact O-N 3.34Å; A72-T76 WeakPolarHBondContact O-CB 3.28Å; A72-T76 PolarHBondContact O-N 3.29Å; A72-T76 PolarHBondContact O-OG1 3.45Å |
| 73 | I | 83.7 | Confident | 69.6 | Low | 75 Ų | 75 | 100.4 Ų | 100.4 | 39% | 0.385 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.3 | -49.5 | 172.7 | -58.9 | 174.1 | 0 | 0 | 0 | 109.8 | P68 D69 Q70 Q71 Q75 T76 I77 | P68-I73 HydrophobicContact CB-CG1 3.95Å; P68-I73 HydrophobicContact CG-CD1 3.99Å; P68-I73 HydrophobicContact CG-CG1 3.74Å; D69-I73 PolarHBondContact O-N 2.84Å; D69-I73 VanDerWaalsContact O-N 3.09Å; Q70-I73 WeakPolarHBondContact O-CB 3.4Å; Q70-I73 PolarHBondContact O-N 2.92Å; Q71-I73 VanDerWaalsContact C-N 3.3Å; Q71-I73 PolarHBondContact O-N 3.2Å; I73-Q75 PolarHBondContact O-N 3.21Å; I73-T76 PolarHBondContact O-N 3.04Å; I73-I77 HydrophobicContact CG2-CD1 3.79Å; I73-I77 HydrophobicContact CG2-CG1 4.43Å; I73-I77 VanDerWaalsContact O-CG1 3.3Å; I73-I77 WeakPolarHBondContact O-CG1 3.5Å; I73-I77 PolarHBondContact O-N 3Å |
| 74 | F | 78 | Confident | 70.3 | Confident | 134 Ų | 134 | 101.8 Ų | 101.8 | 59% | 0.588 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -58.2 | -47.2 | 177.6 | -77.8 | -67.5 | 0 | 0 | 0 | 112.3 | Q70 Q71 T76 I77 L78 | Q70-F74 WeakPolarHBondContact O-CD2 3.48Å; Q70-F74 PolarHBondContact O-N 3.41Å; Q70-F74 VanDerWaalsContact O-N 3.08Å; Q71-F74 PolarHBondContact O-N 2.64Å; F74-T76 VanDerWaalsContact C-N 3.32Å; F74-T76 PolarHBondContact O-N 2.63Å; F74-I77 PolarHBondContact O-N 3.45Å; F74-L78 VanDerWaalsContact O-CG 3.27Å; F74-L78 WeakPolarHBondContact O-CG 3.45Å; F74-L78 PolarHBondContact O-N 3.1Å |
| 75 | Q | 79.7 | Confident | 71.1 | Confident | 123 Ų | 123 | 100.2 Ų | 100.2 | 58% | 0.575 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.7 | -37.7 | 178.2 | -69.5 | -70.9 | 19.7 | 0 | 0 | 112.5 | Q71 I73 L78 S79 | Q71-Q75 WeakPolarHBondContact O-CG 3.47Å; Q71-Q75 PolarHBondContact O-N 3.43Å; I73-Q75 PolarHBondContact O-N 3.21Å; Q75-L78 PolarHBondContact O-N 3.49Å; Q75-S79 WeakPolarHBondContact O-CB 3.5Å; Q75-S79 PolarHBondContact O-N 2.79Å; Q75-S79 PolarHBondContact O-OG 3.42Å |
| 76 | T | 82.3 | Confident | 71.4 | Confident | 72 Ų | 72 | 103.8 Ų | 103.8 | 44% | 0.442 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.6 | -47.6 | 175.2 | -57.2 | 0 | 0 | 0 | 0 | 110.5 | A72 I73 F74 L78 S79 E80 | A72-T76 WeakPolarHBondContact O-CB 3.28Å; A72-T76 PolarHBondContact O-N 3.29Å; A72-T76 PolarHBondContact O-OG1 3.45Å; I73-T76 PolarHBondContact O-N 3.04Å; F74-T76 VanDerWaalsContact C-N 3.32Å; F74-T76 PolarHBondContact O-N 2.63Å; T76-L78 VanDerWaalsContact C-N 3.33Å; T76-L78 PolarHBondContact O-N 3.38Å; T76-S79 WeakPolarHBondContact CA-OG 3.36Å; T76-S79 PolarHBondContact O-N 3.44Å; T76-S79 VanDerWaalsContact O-N 3.12Å; T76-S79 PolarHBondContact O-OG 3.36Å; T76-E80 PolarHBondContact O-N 3.06Å |
| 77 | I | 81.9 | Confident | 71.5 | Confident | 81 Ų | 81 | 102.4 Ų | 102.4 | 42% | 0.415 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -58.6 | -46.4 | 177.5 | -67.2 | 165.3 | 0 | 0 | 0 | 110.6 | I73 F74 S79 E80 T81 | I73-I77 HydrophobicContact CG2-CD1 3.79Å; I73-I77 HydrophobicContact CG2-CG1 4.43Å; I73-I77 VanDerWaalsContact O-CG1 3.3Å; I73-I77 WeakPolarHBondContact O-CG1 3.5Å; I73-I77 PolarHBondContact O-N 3Å; F74-I77 PolarHBondContact O-N 3.45Å; I77-S79 VanDerWaalsContact C-N 3.28Å; I77-S79 PolarHBondContact O-N 3.41Å; I77-E80 PolarHBondContact O-N 2.98Å; I77-T81 HydrophobicContact CG2-CG2 4.39Å; I77-T81 WeakPolarHBondContact O-CG2 3.39Å; I77-T81 PolarHBondContact O-N 2.99Å; I77-T81 PolarHBondContact O-OG1 3.43Å |
| 78 | L | 80.7 | Confident | 71.1 | Confident | 45 Ų | 45 | 103.9 Ų | 103.9 | 24% | 0.236 | 58% | 0.58 | C | S | . | * | H | α-helix | trans | -60.9 | -38.6 | 177.8 | -69.5 | 171.7 | 0 | 0 | 0 | 112.1 | F74 Q75 T76 T81 G82 M83 V85 | F74-L78 VanDerWaalsContact O-CG 3.27Å; F74-L78 WeakPolarHBondContact O-CG 3.45Å; F74-L78 PolarHBondContact O-N 3.1Å; Q75-L78 PolarHBondContact O-N 3.49Å; T76-L78 VanDerWaalsContact C-N 3.33Å; T76-L78 PolarHBondContact O-N 3.38Å; L78-T81 PolarHBondContact O-OG1 3.03Å; L78-G82 PolarHBondContact O-N 3.49Å; L78-M83 HydrophobicContact CD2-CB 3.99Å; L78-M83 PolarHBondContact O-N 3.06Å; L78-V85 HydrophobicContact CD1-CB 4.42Å; L78-V85 HydrophobicContact CD1-CG2 3.55Å; L78-V85 HydrophobicContact CD2-CG2 3.91Å; L78-V85 HydrophobicContact CG-CG2 4.31Å |
| 79 | S | 76.2 | Confident | 70.5 | Confident | 87 Ų | 87 | 105.2 Ų | 105.2 | 61% | 0.608 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -69.8 | -35.3 | 176.9 | 74.5 | 0 | 0 | 0 | 0 | 113 | Q75 T76 I77 | Q75-S79 WeakPolarHBondContact O-CB 3.5Å; Q75-S79 PolarHBondContact O-N 2.79Å; Q75-S79 PolarHBondContact O-OG 3.42Å; T76-S79 WeakPolarHBondContact CA-OG 3.36Å; T76-S79 PolarHBondContact O-N 3.44Å; T76-S79 VanDerWaalsContact O-N 3.12Å; T76-S79 PolarHBondContact O-OG 3.36Å; I77-S79 VanDerWaalsContact C-N 3.28Å; I77-S79 PolarHBondContact O-N 3.41Å |
| 80 | E | 79.5 | Confident | 69.3 | Low | 159 Ų | 159 | 107.1 Ų | 107.1 | 74% | 0.743 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -73.9 | -36.2 | 177.4 | -76.5 | -173.1 | 162.1 | 0 | 0 | 112.4 | T76 I77 G82 | T76-E80 PolarHBondContact O-N 3.06Å; I77-E80 PolarHBondContact O-N 2.98Å; E80-G82 VanDerWaalsContact C-N 3.25Å; E80-G82 PolarHBondContact O-N 3.43Å |
| 81 | T | 75.1 | Confident | 68.1 | Low | 82 Ų | 82 | 102.5 Ų | 102.5 | 50% | 0.503 | 60% | 0.6 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.5 | 0.1 | 179 | 57.1 | 0 | 0 | 0 | 0 | 113.8 | I77 L78 M83 | I77-T81 HydrophobicContact CG2-CG2 4.39Å; I77-T81 WeakPolarHBondContact O-CG2 3.39Å; I77-T81 PolarHBondContact O-N 2.99Å; I77-T81 PolarHBondContact O-OG1 3.43Å; L78-T81 PolarHBondContact O-OG1 3.03Å; T81-M83 PolarHBondContact O-N 2.94Å; T81-M83 WeakPolarHBondContact OG1-CB 3.44Å |
| 82 | G | 70.2 | Confident | 66.6 | Low | 67 Ų | 67 | 103.3 Ų | 103.3 | 69% | 0.691 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 64.8 | 15.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L78 E80 S84 | L78-G82 PolarHBondContact O-N 3.49Å; E80-G82 VanDerWaalsContact C-N 3.25Å; E80-G82 PolarHBondContact O-N 3.43Å; G82-S84 PolarHBondContact O-N 3.16Å |
| 83 | M | 63.2 | Low | 65.5 | Low | 127 Ų | 127 | 108.8 Ų | 108.8 | 63% | 0.626 | 63% | 0.632 | S | S | * | * | trans | -85 | 91 | 178 | -74.9 | 179.4 | 144.1 | 0 | 0 | 109.3 | L78 T81 V85 | L78-M83 HydrophobicContact CD2-CB 3.99Å; L78-M83 PolarHBondContact O-N 3.06Å; T81-M83 PolarHBondContact O-N 2.94Å; T81-M83 WeakPolarHBondContact OG1-CB 3.44Å; M83-V85 PolarHBondContact O-N 3.14Å; M83-V85 VanDerWaalsContact O-N 3.1Å | ||
| 84 | S | 57.8 | Low | 63.9 | Low | 112 Ų | 112 | 109.6 Ų | 109.6 | 78% | 0.783 | 65% | 0.65 | S | S | * | * | trans | -70 | 100.9 | 170.3 | 175.3 | 0 | 0 | 0 | 0 | 109.9 | G82 K86 | G82-S84 PolarHBondContact O-N 3.16Å; S84-K86 PolarHBondContact O-N 3.37Å | ||
| 85 | V | 56.9 | Low | 62.8 | Low | 99 Ų | 99 | 111.5 Ų | 111.5 | 60% | 0.6 | 66% | 0.66 | S | S | * | * | trans | -67.7 | 105.3 | 164.6 | 174.2 | 0 | 0 | 0 | 0 | 107.4 | L78 M83 A87 | L78-V85 HydrophobicContact CD1-CB 4.42Å; L78-V85 HydrophobicContact CD1-CG2 3.55Å; L78-V85 HydrophobicContact CD2-CG2 3.91Å; L78-V85 HydrophobicContact CG-CG2 4.31Å; M83-V85 PolarHBondContact O-N 3.14Å; M83-V85 VanDerWaalsContact O-N 3.1Å; V85-A87 PolarHBondContact O-N 3.4Å | ||
| 86 | K | 55.8 | Low | 61.8 | Low | 177 Ų | 177 | 114 Ų | 114 | 77% | 0.77 | 67% | 0.672 | S | S | * | * | trans | -62.4 | 105.8 | 163.6 | -112.4 | 176.8 | 178.5 | 173.6 | 0 | 106.2 | S84 N88 | S84-K86 PolarHBondContact O-N 3.37Å; K86-N88 PolarHBondContact O-N 2.91Å; K86-N88 PolarHBondContact O-OD1 3.08Å | ||
| 87 | A | 55 | Low | 60.1 | Low | 86 Ų | 86 | 119.2 Ų | 119.2 | 71% | 0.711 | 69% | 0.691 | S | S | * | * | trans | -61 | 109.5 | 163.1 | 0 | 0 | 0 | 0 | 0 | 105.9 | V85 S89 | V85-A87 PolarHBondContact O-N 3.4Å; A87-S89 PolarHBondContact O-N 3Å | ||
| 88 | N | 51.5 | Low | 58.7 | Low | 148 Ų | 148 | 120.4 Ų | 120.4 | 79% | 0.791 | 70% | 0.699 | S | S | * | * | trans | -67.7 | 83.7 | 168.3 | -64.3 | -14.2 | 0 | 0 | 0 | 106.1 | K86 V90 | K86-N88 PolarHBondContact O-N 2.91Å; K86-N88 PolarHBondContact O-OD1 3.08Å; N88-V90 PolarHBondContact O-N 3.09Å; N88-V90 VanDerWaalsContact O-N 3.15Å | ||
| 89 | S | 51.9 | Low | 57.7 | Low | 104 Ų | 104 | 125.1 Ų | 125.1 | 73% | 0.727 | 72% | 0.724 | S | S | * | * | trans | -59.9 | 116.2 | 159.6 | 52.7 | 0 | 0 | 0 | 0 | 105.6 | A87 G91 | A87-S89 PolarHBondContact O-N 3Å; S89-G91 PolarHBondContact O-N 3.39Å | ||
| 90 | V | 46.3 | Very low | 56.9 | Low | 143 Ų | 143 | 124.9 Ų | 124.9 | 87% | 0.867 | 72% | 0.716 | S | S | * | * | trans | -52.7 | 96.7 | 164.4 | 168.7 | 0 | 0 | 0 | 0 | 106.4 | N88 | N88-V90 PolarHBondContact O-N 3.09Å; N88-V90 VanDerWaalsContact O-N 3.15Å | ||
| 91 | G | 51.1 | Low | 55.8 | Low | 53 Ų | 53 | 122.9 Ų | 122.9 | 55% | 0.546 | 71% | 0.71 | S | S | . | * | trans | -129 | 111.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 103.9 | S89 D93 | S89-G91 PolarHBondContact O-N 3.39Å; G91-D93 VanDerWaalsContact C-N 3.33Å; G91-D93 PolarHBondContact O-N 3.22Å | ||
| 92 | D | 45.2 | Very low | 54.9 | Low | 155 Ų | 155 | 126.4 Ų | 126.4 | 83% | 0.829 | 72% | 0.723 | S | S | * | * | trans | -60.7 | 90.9 | 179.1 | -64.9 | -46.9 | 0 | 0 | 0 | 109.6 | ||||
| 93 | D | 54.7 | Low | 54.1 | Low | 156 Ų | 156 | 127.6 Ų | 127.6 | 83% | 0.834 | 71% | 0.711 | S | S | * | * | trans | -147.5 | 111.5 | 164.2 | -79.4 | -50.5 | 0 | 0 | 0 | 107.7 | G91 E95 | G91-D93 VanDerWaalsContact C-N 3.33Å; G91-D93 PolarHBondContact O-N 3.22Å; D93-E95 PolarHBondContact O-N 3.1Å | ||
| 94 | A | 48.6 | Very low | 53.8 | Low | 92 Ų | 92 | 125 Ų | 125 | 76% | 0.76 | 70% | 0.702 | S | S | * | * | trans | -66.8 | 120.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 95 | E | 56 | Low | 53.8 | Low | 174 Ų | 174 | 123.6 Ų | 123.6 | 81% | 0.813 | 69% | 0.688 | S | S | * | * | trans | -150.9 | 110.1 | 159.6 | -64.1 | -60.5 | 166.2 | 0 | 0 | 109.6 | D93 | D93-E95 PolarHBondContact O-N 3.1Š| ||
| 96 | E | 57.7 | Low | 54 | Low | 176 Ų | 176 | 124.7 Ų | 124.7 | 82% | 0.822 | 69% | 0.687 | S | S | * | * | trans | 42.1 | 116.4 | 148.1 | -57.8 | -76.9 | 143.5 | 0 | 0 | 119.8 | N98 | E96-N98 PolarHBondContact O-N 3.49Š| ||
| 97 | E | 48.2 | Very low | 54.2 | Low | 180 Ų | 180 | 121.9 Ų | 121.9 | 84% | 0.841 | 68% | 0.675 | S | S | * | * | trans | -60.8 | 126 | 169.3 | -58.2 | -152.8 | 159.8 | 0 | 0 | 111.4 | ||||
| 98 | N | 52.4 | Low | 54.5 | Low | 107 Ų | 107 | 122.7 Ų | 122.7 | 57% | 0.572 | 67% | 0.667 | S | S | * | * | trans | -118.4 | 92.9 | 172.6 | -169.6 | 24.6 | 0 | 0 | 0 | 109.3 | E96 N100 | E96-N98 PolarHBondContact O-N 3.49Å; N98-N100 PolarHBondContact O-N 3.44Å; N98-N100 WeakPolarHBondContact OD1-CB 3.07Å | ||
| 99 | D | 59.2 | Low | 55 | Low | 143 Ų | 143 | 122.6 Ų | 122.6 | 77% | 0.765 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | 9.4 | 174.4 | -78.9 | -29.8 | 0 | 0 | 0 | 114.4 | ||
| 100 | N | 59.2 | Low | 55.6 | Low | 82 Ų | 82 | 123.6 Ų | 123.6 | 44% | 0.439 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -90.4 | -9 | -167.1 | -145.6 | 7.2 | 0 | 0 | 0 | 113.2 | N98 T104 | N98-N100 PolarHBondContact O-N 3.44Å; N98-N100 WeakPolarHBondContact OD1-CB 3.07Å; N100-T104 WeakPolarHBondContact O-CG2 3.41Å |
| 101 | D | 56.6 | Low | 56.5 | Low | 117 Ų | 117 | 121.6 Ų | 121.6 | 63% | 0.626 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -80.4 | -28.3 | -179 | -73.3 | -11.6 | 0 | 0 | 0 | 112.7 | T104 | D101-T104 PolarHBondContact O-OG1 2.9Å; D101-T104 VanDerWaalsContact O-OG1 3.06Å |
| 102 | M | 54.8 | Low | 57.1 | Low | 156 Ų | 156 | 125 Ų | 125 | 77% | 0.768 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -77 | -31.7 | 176.5 | -168.1 | 171.3 | -69.2 | 0 | 0 | 112.2 | T104 V105 Q106 | M102-T104 PolarHBondContact O-N 3.5Å; M102-V105 PolarHBondContact O-N 3Å; M102-Q106 PolarHBondContact O-N 3.04Å |
| 103 | E | 54.7 | Low | 57.9 | Low | 93 Ų | 93 | 121.3 Ų | 121.3 | 44% | 0.435 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -68.7 | -33.2 | 180 | -163.1 | -177.1 | 147.8 | 0 | 0 | 112.3 | Q106 K107 | E103-Q106 PolarHBondContact O-N 2.72Å; E103-K107 PolarHBondContact O-N 3.2Å; E103-K107 VanDerWaalsContact O-N 3.1Å; E103-K107 WeakPolarHBondContact OE1-CE 3.5Å; E103-K107 IonicContact OE1-NZ 2.68Å; E103-K107 PolarHBondContact OE1-NZ 3.21Å |
| 104 | T | 56.8 | Low | 58.3 | Low | 72 Ų | 72 | 115.7 Ų | 115.7 | 44% | 0.442 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -70 | -35.8 | 179.3 | 61.5 | 0 | 0 | 0 | 0 | 112.8 | N100 D101 M102 K107 L108 | N100-T104 WeakPolarHBondContact O-CG2 3.41Å; D101-T104 PolarHBondContact O-OG1 2.9Å; D101-T104 VanDerWaalsContact O-OG1 3.06Å; M102-T104 PolarHBondContact O-N 3.5Å; T104-K107 PolarHBondContact O-N 3.49Å; T104-L108 WeakPolarHBondContact O-CG 3.4Å; T104-L108 PolarHBondContact O-N 3.46Å; T104-L108 VanDerWaalsContact O-N 3.1Å |
| 105 | V | 58.1 | Low | 59.3 | Low | 82 Ų | 82 | 118 Ų | 118 | 50% | 0.497 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -68.8 | -37.4 | 178.2 | -177.8 | 0 | 0 | 0 | 0 | 111 | M102 K109 | M102-V105 PolarHBondContact O-N 3Å; V105-K109 PolarHBondContact O-N 3.23Å |
| 106 | Q | 59.5 | Low | 59.7 | Low | 122 Ų | 122 | 116.2 Ų | 116.2 | 57% | 0.57 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -70.3 | -41.9 | 177.5 | -163.8 | 172.2 | -5.8 | 0 | 0 | 111.8 | M102 E103 L108 K109 E110 | M102-Q106 PolarHBondContact O-N 3.04Å; E103-Q106 PolarHBondContact O-N 2.72Å; Q106-L108 VanDerWaalsContact C-N 3.34Å; Q106-L108 PolarHBondContact O-N 3.07Å; Q106-K109 PolarHBondContact O-N 3.42Å; Q106-E110 PolarHBondContact O-N 3.11Å; Q106-E110 VanDerWaalsContact O-N 3.09Å |
| 107 | K | 61.4 | Low | 59.9 | Low | 118 Ų | 118 | 111.6 Ų | 111.6 | 51% | 0.513 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -59.4 | -40.4 | 174.1 | -85.2 | 171.2 | 169.1 | 157.2 | 0 | 113.1 | E103 T104 E110 E111 | E103-K107 PolarHBondContact O-N 3.2Å; E103-K107 VanDerWaalsContact O-N 3.1Å; E103-K107 WeakPolarHBondContact OE1-CE 3.5Å; E103-K107 IonicContact OE1-NZ 2.68Å; E103-K107 PolarHBondContact OE1-NZ 3.21Å; T104-K107 PolarHBondContact O-N 3.49Å; K107-E110 PolarHBondContact O-N 2.68Å; K107-E111 WeakPolarHBondContact O-CB 3.47Å; K107-E111 PolarHBondContact O-N 3.01Å |
| 108 | L | 60.1 | Low | 60.5 | Low | 104 Ų | 104 | 105.7 Ų | 105.7 | 55% | 0.545 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -64.9 | -39 | 177.4 | -73.3 | 169.5 | 0 | 0 | 0 | 112.2 | T104 Q106 E111 E112 | T104-L108 WeakPolarHBondContact O-CG 3.4Å; T104-L108 PolarHBondContact O-N 3.46Å; T104-L108 VanDerWaalsContact O-N 3.1Å; Q106-L108 VanDerWaalsContact C-N 3.34Å; Q106-L108 PolarHBondContact O-N 3.07Å; L108-E111 PolarHBondContact O-N 2.83Å; L108-E112 WeakPolarHBondContact O-CB 3.28Å; L108-E112 PolarHBondContact O-N 3.35Å |
| 109 | K | 62.8 | Low | 60.9 | Low | 145 Ų | 145 | 104.5 Ų | 104.5 | 63% | 0.63 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.6 | -43.1 | 175.6 | -73.8 | -176.6 | 174.7 | -177.7 | 0 | 112 | V105 Q106 E112 V113 | V105-K109 PolarHBondContact O-N 3.23Å; Q106-K109 PolarHBondContact O-N 3.42Å; K109-E112 PolarHBondContact O-N 3.1Å; K109-V113 VanDerWaalsContact O-CG2 3.28Å; K109-V113 WeakPolarHBondContact O-CG2 3.49Å; K109-V113 PolarHBondContact O-N 3.17Å; K109-V113 VanDerWaalsContact O-N 3.08Å |
| 110 | E | 63.7 | Low | 60.8 | Low | 125 Ų | 125 | 101.6 Ų | 101.6 | 58% | 0.584 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.2 | -39.5 | 177 | -71.5 | 179.3 | 174.9 | 0 | 0 | 112.4 | Q106 K107 G114 | Q106-E110 PolarHBondContact O-N 3.11Å; Q106-E110 VanDerWaalsContact O-N 3.09Å; K107-E110 PolarHBondContact O-N 2.68Å; E110-G114 PolarHBondContact O-N 2.95Å |
| 111 | E | 65.4 | Low | 60.8 | Low | 101 Ų | 101 | 102.8 Ų | 102.8 | 47% | 0.472 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67 | -37.3 | 177.7 | -166.1 | -174.5 | 160.5 | 0 | 0 | 112.1 | K107 L108 G114 R115 | K107-E111 WeakPolarHBondContact O-CB 3.47Å; K107-E111 PolarHBondContact O-N 3.01Å; L108-E111 PolarHBondContact O-N 2.83Å; E111-G114 PolarHBondContact O-N 3.21Å; E111-R115 WeakPolarHBondContact O-CG 3.42Å; E111-R115 PolarHBondContact O-N 2.97Å; E111-R115 IonicContact OE1-CZ 3.34Å; E111-R115 IonicContact OE1-NH1 2.63Å; E111-R115 PolarHBondContact OE1-NH1 2.86Å; E111-R115 IonicContact OE1-NH2 3.38Å; E111-R115 PolarHBondContact OE1-NH2 2.99Å |
| 112 | E | 63.1 | Low | 61.1 | Low | 125 Ų | 125 | 104.8 Ų | 104.8 | 58% | 0.584 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -71.2 | -39.7 | 177.9 | -163.6 | 154.2 | 162.2 | 0 | 0 | 112.4 | L108 K109 R115 M116 | L108-E112 WeakPolarHBondContact O-CB 3.28Å; L108-E112 PolarHBondContact O-N 3.35Å; K109-E112 PolarHBondContact O-N 3.1Å; E112-R115 PolarHBondContact O-N 3.5Å; E112-M116 PolarHBondContact O-N 3.3Å; E112-M116 VanDerWaalsContact O-N 3.16Å |
| 113 | V | 62.4 | Low | 61.1 | Low | 77 Ų | 77 | 102.9 Ų | 102.9 | 47% | 0.467 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.6 | -43 | 171.3 | 174.2 | 0 | 0 | 0 | 0 | 110.7 | K109 R115 M116 L117 | K109-V113 VanDerWaalsContact O-CG2 3.28Å; K109-V113 WeakPolarHBondContact O-CG2 3.49Å; K109-V113 PolarHBondContact O-N 3.17Å; K109-V113 VanDerWaalsContact O-N 3.08Å; V113-R115 VanDerWaalsContact C-N 3.34Å; V113-R115 PolarHBondContact O-N 2.99Å; V113-M116 PolarHBondContact O-N 3.49Å; V113-M116 VanDerWaalsContact O-N 3.14Å; V113-L117 HydrophobicContact CG1-CD1 3.96Å; V113-L117 HydrophobicContact CG1-CG 4.42Å; V113-L117 WeakPolarHBondContact O-CG 3.25Å; V113-L117 PolarHBondContact O-N 2.92Å |
| 114 | G | 64 | Low | 60.8 | Low | 39 Ų | 39 | 104.7 Ų | 104.7 | 40% | 0.402 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60.5 | -39.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | E110 E111 M116 L117 A118 | E110-G114 PolarHBondContact O-N 2.95Å; E111-G114 PolarHBondContact O-N 3.21Å; G114-M116 VanDerWaalsContact C-N 3.33Å; G114-M116 PolarHBondContact O-N 3.31Å; G114-L117 PolarHBondContact O-N 3.37Å; G114-A118 WeakPolarHBondContact O-CB 3.34Å; G114-A118 PolarHBondContact O-N 3.29Å |
| 115 | R | 69.8 | Low | 61 | Low | 140 Ų | 140 | 106.3 Ų | 106.3 | 53% | 0.528 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.4 | -32.7 | 174.7 | -78.5 | -169.6 | -85.7 | -106.9 | -2.6 | 113.2 | E111 E112 V113 P119 | E111-R115 WeakPolarHBondContact O-CG 3.42Å; E111-R115 PolarHBondContact O-N 2.97Å; E111-R115 IonicContact OE1-CZ 3.34Å; E111-R115 IonicContact OE1-NH1 2.63Å; E111-R115 PolarHBondContact OE1-NH1 2.86Å; E111-R115 IonicContact OE1-NH2 3.38Å; E111-R115 PolarHBondContact OE1-NH2 2.99Å; E112-R115 PolarHBondContact O-N 3.5Å; V113-R115 VanDerWaalsContact C-N 3.34Å; V113-R115 PolarHBondContact O-N 2.99Å; R115-P119 WeakPolarHBondContact O-CD 3.32Å |
| 116 | M | 63.3 | Low | 61.2 | Low | 137 Ų | 137 | 107.6 Ų | 107.6 | 68% | 0.675 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -75.4 | -33 | 178 | -161.4 | 178.7 | -64.1 | 0 | 0 | 112.3 | E112 V113 G114 P119 | E112-M116 PolarHBondContact O-N 3.3Å; E112-M116 VanDerWaalsContact O-N 3.16Å; V113-M116 PolarHBondContact O-N 3.49Å; V113-M116 VanDerWaalsContact O-N 3.14Å; G114-M116 VanDerWaalsContact C-N 3.33Å; G114-M116 PolarHBondContact O-N 3.31Å; M116-P119 WeakPolarHBondContact O-CD 3.5Å |
| 117 | L | 62.2 | Low | 61.3 | Low | 78 Ų | 78 | 106.8 Ų | 106.8 | 41% | 0.408 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -85 | -23.3 | 179.1 | -66.1 | 178.9 | 0 | 0 | 0 | 113.8 | V113 G114 P119 V120 V121 | V113-L117 HydrophobicContact CG1-CD1 3.96Å; V113-L117 HydrophobicContact CG1-CG 4.42Å; V113-L117 WeakPolarHBondContact O-CG 3.25Å; V113-L117 PolarHBondContact O-N 2.92Å; G114-L117 PolarHBondContact O-N 3.37Å; L117-P119 VanDerWaalsContact C-CD 3.45Å; L117-V120 WeakPolarHBondContact O-CA 3.37Å; L117-V120 WeakPolarHBondContact O-CB 3.47Å; L117-V120 PolarHBondContact O-N 2.9Å; L117-V121 WeakPolarHBondContact O-CG2 3.44Å; L117-V121 PolarHBondContact O-N 3.48Å |
| 118 | A | 60.3 | Low | 61.3 | Low | 56 Ų | 56 | 106.1 Ų | 106.1 | 46% | 0.463 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -54 | -42.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | G114 V120 L122 | G114-A118 WeakPolarHBondContact O-CB 3.34Å; G114-A118 PolarHBondContact O-N 3.29Å; A118-V120 VanDerWaalsContact C-N 3.29Å; A118-V120 PolarHBondContact O-N 3.08Å; A118-L122 WeakPolarHBondContact O-CB 3.2Å; A118-L122 PolarHBondContact O-N 3.17Å; A118-L122 VanDerWaalsContact O-N 3.11Å |
| 119 | P | 60.7 | Low | 61.3 | Low | 82 Ų | 82 | 106.3 Ų | 106.3 | 53% | 0.532 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67.3 | -30.3 | 175.6 | -16 | 29.8 | 0 | 0 | 0 | 112.9 | R115 M116 L117 C123 | R115-P119 WeakPolarHBondContact O-CD 3.32Å; M116-P119 WeakPolarHBondContact O-CD 3.5Å; L117-P119 VanDerWaalsContact C-CD 3.45Å; P119-C123 PolarHBondContact O-SG 3.35Å; P119-C123 VanDerWaalsContact O-SG 3.36Å |
| 120 | V | 58.2 | Low | 61.2 | Low | 83 Ų | 83 | 103.7 Ų | 103.7 | 50% | 0.503 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -74.3 | -43.1 | -179.7 | -176.6 | 0 | 0 | 0 | 0 | 110.3 | L117 A118 | L117-V120 WeakPolarHBondContact O-CA 3.37Å; L117-V120 WeakPolarHBondContact O-CB 3.47Å; L117-V120 PolarHBondContact O-N 2.9Å; A118-V120 VanDerWaalsContact C-N 3.29Å; A118-V120 PolarHBondContact O-N 3.08Å |
| 121 | V | 59 | Low | 61.1 | Low | 106 Ų | 106 | 102.1 Ų | 102.1 | 64% | 0.642 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -71.9 | -33.9 | 179.3 | 178.4 | 0 | 0 | 0 | 0 | 112.2 | L117 C123 | L117-V121 WeakPolarHBondContact O-CG2 3.44Å; L117-V121 PolarHBondContact O-N 3.48Å; V121-C123 VanDerWaalsContact C-N 3.28Å; V121-C123 PolarHBondContact O-N 2.73Å |
| 122 | L | 62.3 | Low | 60.7 | Low | 159 Ų | 159 | 102.2 Ų | 102.2 | 83% | 0.832 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -13 | -179.7 | -150.8 | 80.8 | 0 | 0 | 0 | 113.7 | A118 | A118-L122 WeakPolarHBondContact O-CB 3.2Å; A118-L122 PolarHBondContact O-N 3.17Å; A118-L122 VanDerWaalsContact O-N 3.11Å |
| 123 | C | 55 | Low | 60.5 | Low | 117 Ų | 117 | 100.3 Ų | 100.3 | 79% | 0.791 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | -6 | 177.7 | -75.6 | 0 | 0 | 0 | 0 | 114.3 | P119 V121 | P119-C123 PolarHBondContact O-SG 3.35Å; P119-C123 VanDerWaalsContact O-SG 3.36Å; V121-C123 VanDerWaalsContact C-N 3.28Å; V121-C123 PolarHBondContact O-N 2.73Å |
| 124 | C | 49.2 | Very low | 60.3 | Low | 130 Ų | 130 | 102.5 Ų | 102.5 | 88% | 0.878 | 61% | 0.605 | S | S | * | * | trans | -94.7 | 0 | 175.6 | -67.9 | 0 | 0 | 0 | 0 | 111.4 |
Retrieved 124 of 124 residues in 43.1 ms
(Link to these results)