| 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 | 56.2 | Low | 56.1 | Low | 221 Ų | 221 | 136.5 Ų | 136.5 | 100% | 1.089 | 69% | 0.689 | S | S | * | * | 0 | 25.1 | 0 | -156.6 | 174.6 | 139.8 | 0 | 0 | 112.7 | |||||
| 2 | Q | 53.3 | Low | 56.2 | Low | 166 Ų | 166 | 139.3 Ų | 139.3 | 78% | 0.776 | 69% | 0.685 | S | S | * | * | trans | -118.4 | -20.7 | 177.6 | -91 | 165.6 | -39.3 | 0 | 0 | 112.9 | T5 | Q2-T5 PolarHBondContact O-OG1 2.89Š| ||
| 3 | T | 53.4 | Low | 56.3 | Low | 111 Ų | 111 | 134.6 Ų | 134.6 | 68% | 0.681 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -76.8 | -31.1 | 177.4 | 40.6 | 0 | 0 | 0 | 0 | 112.8 | V7 | T3-V7 WeakPolarHBondContact O-CG2 3.09Å |
| 4 | F | 54.7 | Low | 56.6 | Low | 177 Ų | 177 | 130 Ų | 130 | 78% | 0.776 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -72.1 | -28.6 | 176.4 | -98.2 | -89.7 | 0 | 0 | 0 | 113.5 | L8 | F4-L8 PolarHBondContact O-N 3.28Å |
| 5 | T | 56.8 | Low | 56.8 | Low | 87 Ų | 87 | 128.5 Ų | 128.5 | 53% | 0.534 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -78 | -31.3 | -179.8 | 45.5 | 0 | 0 | 0 | 0 | 112.7 | Q2 Q9 | Q2-T5 PolarHBondContact O-OG1 2.89Å; T5-Q9 PolarHBondContact O-N 2.97Å |
| 6 | M | 56.2 | Low | 57.1 | Low | 150 Ų | 150 | 126.8 Ų | 126.8 | 74% | 0.739 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -69.9 | -43.6 | 175.5 | -90.1 | -177.4 | 169.6 | 0 | 0 | 112.6 | L8 Q9 E10 | M6-L8 VanDerWaalsContact C-N 3.32Å; M6-L8 PolarHBondContact O-N 2.98Å; M6-Q9 PolarHBondContact O-N 3.24Å; M6-E10 PolarHBondContact O-N 3.27Å |
| 7 | V | 56.5 | Low | 57.3 | Low | 85 Ų | 85 | 125.2 Ų | 125.2 | 52% | 0.515 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -64.9 | -36.9 | -178.9 | 176.4 | 0 | 0 | 0 | 0 | 111.5 | T3 Q9 I11 | T3-V7 WeakPolarHBondContact O-CG2 3.09Å; V7-Q9 VanDerWaalsContact C-N 3.31Å; V7-Q9 PolarHBondContact O-N 3.3Å; V7-I11 HydrophobicContact CG1-CD1 3.74Å; V7-I11 WeakPolarHBondContact O-CD1 3.47Å; V7-I11 WeakPolarHBondContact O-CG1 3.43Å; V7-I11 PolarHBondContact O-N 3.48Å |
| 8 | L | 57.1 | Low | 57.3 | Low | 124 Ų | 124 | 129.2 Ų | 129.2 | 65% | 0.649 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -67.8 | -31.7 | 178.5 | -155.2 | 78.4 | 0 | 0 | 0 | 112.5 | F4 M6 W12 | F4-L8 PolarHBondContact O-N 3.28Å; M6-L8 VanDerWaalsContact C-N 3.32Å; M6-L8 PolarHBondContact O-N 2.98Å; L8-W12 WeakPolarHBondContact O-CB 3.47Å; L8-W12 PolarHBondContact O-N 3.33Å |
| 9 | Q | 56.2 | Low | 57.4 | Low | 141 Ų | 141 | 129.3 Ų | 129.3 | 66% | 0.659 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -78.6 | -34.1 | -178.8 | -168 | 150.1 | -23.3 | 0 | 0 | 112.8 | T5 M6 V7 T13 | T5-Q9 PolarHBondContact O-N 2.97Å; M6-Q9 PolarHBondContact O-N 3.24Å; V7-Q9 VanDerWaalsContact C-N 3.31Å; V7-Q9 PolarHBondContact O-N 3.3Å; Q9-T13 WeakPolarHBondContact O-CG2 3.47Å; Q9-T13 PolarHBondContact O-N 3.06Å; Q9-T13 PolarHBondContact O-OG1 3.48Å |
| 10 | E | 56.4 | Low | 57.4 | Low | 149 Ų | 149 | 128.8 Ų | 128.8 | 70% | 0.696 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -67.9 | -39.7 | 170.2 | -75.2 | -163.3 | 157.2 | 0 | 0 | 112.2 | M6 T13 S14 | M6-E10 PolarHBondContact O-N 3.27Å; E10-T13 WeakPolarHBondContact CA-OG1 3.22Å; E10-T13 PolarHBondContact O-N 3.04Å; E10-T13 PolarHBondContact O-OG1 3.23Å; E10-S14 VanDerWaalsContact O-CB 3.3Å; E10-S14 WeakPolarHBondContact O-CB 3Å; E10-S14 PolarHBondContact O-N 3.25Å |
| 11 | I | 59.8 | Low | 57.5 | Low | 90 Ų | 90 | 130.3 Ų | 130.3 | 46% | 0.462 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -66 | -40.1 | 176.4 | -65.7 | 165.6 | 0 | 0 | 0 | 110.8 | V7 S14 L15 | V7-I11 HydrophobicContact CG1-CD1 3.74Å; V7-I11 WeakPolarHBondContact O-CD1 3.47Å; V7-I11 WeakPolarHBondContact O-CG1 3.43Å; V7-I11 PolarHBondContact O-N 3.48Å; I11-S14 PolarHBondContact O-N 2.86Å; I11-L15 HydrophobicContact CG2-CD1 3.8Å; I11-L15 WeakPolarHBondContact O-CB 3.47Å; I11-L15 WeakPolarHBondContact O-CG 3.1Å; I11-L15 PolarHBondContact O-N 3.43Å |
| 12 | W | 57.5 | Low | 57.6 | Low | 170 Ų | 170 | 123.2 Ų | 123.2 | 64% | 0.644 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -66.8 | -40.8 | 178.4 | -166.9 | -86 | 0 | 0 | 0 | 112.8 | L8 L15 F16 | L8-W12 WeakPolarHBondContact O-CB 3.47Å; L8-W12 PolarHBondContact O-N 3.33Å; W12-L15 PolarHBondContact O-N 3.3Å; W12-F16 AromaticContact CD1-CD2 3.66Å; W12-F16 AromaticContact CD1-CE2 3.99Å; W12-F16 AromaticContact CE2-CE2 3.66Å; W12-F16 HydrophobicContact CG-CD2 4.45Å; W12-F16 AromaticContact CZ2-CE2 3.93Å; W12-F16 HydrophobicContact CZ2-CE2 3.93Å; W12-F16 AromaticContact NE1-CD2 3.36Å; W12-F16 AromaticContact NE1-CE2 3.18Å; W12-F16 WeakPolarHBondContact O-CB 3.47Å; W12-F16 PolarHBondContact O-N 3.18Å |
| 13 | T | 58.1 | Low | 57.6 | Low | 79 Ų | 79 | 120.6 Ų | 120.6 | 49% | 0.485 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -71.3 | -35.4 | 176.9 | 48.9 | 0 | 0 | 0 | 0 | 112.3 | Q9 E10 M17 | Q9-T13 WeakPolarHBondContact O-CG2 3.47Å; Q9-T13 PolarHBondContact O-N 3.06Å; Q9-T13 PolarHBondContact O-OG1 3.48Å; E10-T13 WeakPolarHBondContact CA-OG1 3.22Å; E10-T13 PolarHBondContact O-N 3.04Å; E10-T13 PolarHBondContact O-OG1 3.23Å; T13-M17 WeakPolarHBondContact O-CB 3.32Å; T13-M17 WeakPolarHBondContact O-CG 3.35Å; T13-M17 PolarHBondContact O-N 3.21Å |
| 14 | S | 60.6 | Low | 57.9 | Low | 70 Ų | 70 | 121.6 Ų | 121.6 | 49% | 0.49 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66.1 | -41.4 | 172.2 | -174.1 | 0 | 0 | 0 | 0 | 112.4 | E10 I11 W18 | E10-S14 VanDerWaalsContact O-CB 3.3Å; E10-S14 WeakPolarHBondContact O-CB 3Å; E10-S14 PolarHBondContact O-N 3.25Å; I11-S14 PolarHBondContact O-N 2.86Å; S14-W18 WeakPolarHBondContact O-CB 3.24Å; S14-W18 PolarHBondContact O-N 3.42Å |
| 15 | L | 59.8 | Low | 58 | Low | 107 Ų | 107 | 117.5 Ų | 117.5 | 56% | 0.56 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -68.4 | -40.1 | 176.7 | -81.3 | 162.3 | 0 | 0 | 0 | 112 | I11 W12 W18 F19 | I11-L15 HydrophobicContact CG2-CD1 3.8Å; I11-L15 WeakPolarHBondContact O-CB 3.47Å; I11-L15 WeakPolarHBondContact O-CG 3.1Å; I11-L15 PolarHBondContact O-N 3.43Å; W12-L15 PolarHBondContact O-N 3.3Å; L15-W18 PolarHBondContact O-N 3Å; L15-F19 WeakPolarHBondContact O-CB 3.21Å; L15-F19 PolarHBondContact O-N 2.85Å |
| 16 | F | 61.6 | Low | 57.8 | Low | 101 Ų | 101 | 119.1 Ų | 119.1 | 44% | 0.443 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -64.9 | -44 | 173.9 | -104.6 | -88.9 | 0 | 0 | 0 | 111.9 | W12 F19 F20 | W12-F16 AromaticContact CD1-CD2 3.66Å; W12-F16 AromaticContact CD1-CE2 3.99Å; W12-F16 AromaticContact CE2-CE2 3.66Å; W12-F16 HydrophobicContact CG-CD2 4.45Å; W12-F16 AromaticContact CZ2-CE2 3.93Å; W12-F16 HydrophobicContact CZ2-CE2 3.93Å; W12-F16 AromaticContact NE1-CD2 3.36Å; W12-F16 AromaticContact NE1-CE2 3.18Å; W12-F16 WeakPolarHBondContact O-CB 3.47Å; W12-F16 PolarHBondContact O-N 3.18Å; F16-F19 PolarHBondContact O-N 2.87Å; F16-F20 HydrophobicContact CD1-CD2 4.43Å; F16-F20 AromaticContact CD1-CE2 3.7Å; F16-F20 HydrophobicContact CD1-CE2 3.7Å; F16-F20 HydrophobicContact CD1-CZ 4.36Å; F16-F20 HydrophobicContact CE1-CE2 4.42Å; F16-F20 WeakPolarHBondContact O-CD2 3.28Å; F16-F20 PolarHBondContact O-N 3.41Å |
| 17 | M | 59.4 | Low | 57.7 | Low | 101 Ų | 101 | 120 Ų | 120 | 50% | 0.498 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -60.3 | -46.4 | 174.2 | -81.9 | -79.7 | -87.4 | 0 | 0 | 111.3 | T13 F19 F20 Y21 | T13-M17 WeakPolarHBondContact O-CB 3.32Å; T13-M17 WeakPolarHBondContact O-CG 3.35Å; T13-M17 PolarHBondContact O-N 3.21Å; M17-F19 VanDerWaalsContact C-N 3.31Å; M17-F19 PolarHBondContact O-N 2.87Å; M17-F20 PolarHBondContact O-N 3.23Å; M17-Y21 HydrophobicContact CB-CD2 4.42Å; M17-Y21 HydrophobicContact CB-CE2 4.37Å; M17-Y21 HydrophobicContact CE-CE2 3.59Å; M17-Y21 WeakPolarHBondContact O-CD2 3.34Å; M17-Y21 PolarHBondContact O-N 3.41Å; M17-Y21 HydrophobicContact SD-CE2 3.91Å |
| 18 | W | 58.7 | Low | 57.6 | Low | 197 Ų | 197 | 123.8 Ų | 123.8 | 75% | 0.746 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -62 | -36.7 | 175 | -106.4 | 39.5 | 0 | 0 | 0 | 113.1 | S14 L15 Y21 A22 | S14-W18 WeakPolarHBondContact O-CB 3.24Å; S14-W18 PolarHBondContact O-N 3.42Å; L15-W18 PolarHBondContact O-N 3Å; W18-Y21 PolarHBondContact O-N 3.45Å; W18-A22 WeakPolarHBondContact O-CB 3.28Å; W18-A22 PolarHBondContact O-N 2.84Å |
| 19 | F | 58.2 | Low | 57.1 | Low | 130 Ų | 130 | 124 Ų | 124 | 57% | 0.57 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -66.1 | -39 | 175.5 | -158.1 | -110.4 | 0 | 0 | 0 | 111.4 | L15 F16 M17 L23 | L15-F19 WeakPolarHBondContact O-CB 3.21Å; L15-F19 PolarHBondContact O-N 2.85Å; F16-F19 PolarHBondContact O-N 2.87Å; M17-F19 VanDerWaalsContact C-N 3.31Å; M17-F19 PolarHBondContact O-N 2.87Å; F19-L23 HydrophobicContact CD1-CD1 3.36Å; F19-L23 HydrophobicContact CD1-CG 4.33Å; F19-L23 HydrophobicContact CE1-CD1 3.24Å; F19-L23 HydrophobicContact CE1-CG 4.31Å; F19-L23 HydrophobicContact CE2-CD1 4.48Å; F19-L23 HydrophobicContact CG-CD1 4.08Å; F19-L23 HydrophobicContact CZ-CD1 3.84Å; F19-L23 WeakPolarHBondContact O-CB 3.16Å; F19-L23 WeakPolarHBondContact O-CD1 3.49Å; F19-L23 WeakPolarHBondContact O-CG 3.49Å; F19-L23 PolarHBondContact O-N 3.46Å |
| 20 | F | 57.6 | Low | 56.6 | Low | 119 Ų | 119 | 124 Ų | 124 | 52% | 0.522 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -70.2 | -39 | 172.8 | -72.6 | -65.3 | 0 | 0 | 0 | 112.9 | F16 M17 L23 I24 | F16-F20 HydrophobicContact CD1-CD2 4.43Å; F16-F20 AromaticContact CD1-CE2 3.7Å; F16-F20 HydrophobicContact CD1-CE2 3.7Å; F16-F20 HydrophobicContact CD1-CZ 4.36Å; F16-F20 HydrophobicContact CE1-CE2 4.42Å; F16-F20 WeakPolarHBondContact O-CD2 3.28Å; F16-F20 PolarHBondContact O-N 3.41Å; M17-F20 PolarHBondContact O-N 3.23Å; F20-L23 PolarHBondContact O-N 2.79Å; F20-I24 VanDerWaalsContact O-CD1 3.25Å; F20-I24 WeakPolarHBondContact O-CD1 3.12Å; F20-I24 WeakPolarHBondContact O-CG1 3.41Å; F20-I24 PolarHBondContact O-N 3.37Å; F20-I24 VanDerWaalsContact O-N 3.13Å |
| 21 | Y | 58.5 | Low | 56.2 | Low | 161 Ų | 161 | 125.5 Ų | 125.5 | 63% | 0.631 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -71.1 | -28.2 | 175.4 | -74.8 | -67.5 | 0 | 0 | 0 | 113.3 | M17 W18 | M17-Y21 HydrophobicContact CB-CD2 4.42Å; M17-Y21 HydrophobicContact CB-CE2 4.37Å; M17-Y21 HydrophobicContact CE-CE2 3.59Å; M17-Y21 WeakPolarHBondContact O-CD2 3.34Å; M17-Y21 PolarHBondContact O-N 3.41Å; M17-Y21 HydrophobicContact SD-CE2 3.91Å; W18-Y21 PolarHBondContact O-N 3.45Å |
| 22 | A | 58.2 | Low | 56.1 | Low | 73 Ų | 73 | 125.7 Ų | 125.7 | 60% | 0.603 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -85 | -20.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | W18 P25 | W18-A22 WeakPolarHBondContact O-CB 3.28Å; W18-A22 PolarHBondContact O-N 2.84Å; A22-P25 WeakPolarHBondContact O-CD 3.48Å |
| 23 | L | 54.4 | Low | 56.4 | Low | 110 Ų | 110 | 120.9 Ų | 120.9 | 58% | 0.576 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -92.4 | -6.5 | 173.8 | -71.8 | 174.2 | 0 | 0 | 0 | 113.9 | F19 F20 | F19-L23 HydrophobicContact CD1-CD1 3.36Å; F19-L23 HydrophobicContact CD1-CG 4.33Å; F19-L23 HydrophobicContact CE1-CD1 3.24Å; F19-L23 HydrophobicContact CE1-CG 4.31Å; F19-L23 HydrophobicContact CE2-CD1 4.48Å; F19-L23 HydrophobicContact CG-CD1 4.08Å; F19-L23 HydrophobicContact CZ-CD1 3.84Å; F19-L23 WeakPolarHBondContact O-CB 3.16Å; F19-L23 WeakPolarHBondContact O-CD1 3.49Å; F19-L23 WeakPolarHBondContact O-CG 3.49Å; F19-L23 PolarHBondContact O-N 3.46Å; F20-L23 PolarHBondContact O-N 2.79Å |
| 24 | I | 60.5 | Low | 57.5 | Low | 132 Ų | 132 | 124 Ų | 124 | 68% | 0.677 | 65% | 0.654 | S | S | * | * | trans | -107.5 | 58 | 171.1 | -52.3 | 160 | 0 | 0 | 0 | 110 | F20 | F20-I24 VanDerWaalsContact O-CD1 3.25Å; F20-I24 WeakPolarHBondContact O-CD1 3.12Å; F20-I24 WeakPolarHBondContact O-CG1 3.41Å; F20-I24 PolarHBondContact O-N 3.37Å; F20-I24 VanDerWaalsContact O-N 3.13Å | ||
| 25 | P | 55.9 | Low | 59.1 | Low | 91 Ų | 91 | 121.1 Ų | 121.1 | 59% | 0.591 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -139 | 96.7 | 139.5 | 27.8 | -10.9 | 0 | 0 | 0 | 110.2 | A22 | A22-P25 WeakPolarHBondContact O-CD 3.48Š|
| 26 | C | 53.5 | Low | 60.7 | Low | 122 Ų | 122 | 119.6 Ų | 119.6 | 82% | 0.824 | 63% | 0.63 | S | S | * | * | S | Bend | trans | 167.6 | 37.9 | 152.8 | -94.6 | 0 | 0 | 0 | 0 | 114.2 | ||
| 27 | L | 53.1 | Low | 62.4 | Low | 168 Ų | 168 | 115.8 Ų | 115.8 | 88% | 0.88 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -119.6 | 10.3 | 173.2 | -85.2 | 166.3 | 0 | 0 | 0 | 114.7 | ||
| 28 | L | 55.2 | Low | 64.2 | Low | 164 Ų | 164 | 111 Ų | 111 | 86% | 0.859 | 59% | 0.593 | S | S | * | * | trans | -143 | 66.9 | 175.2 | -73.3 | 171.1 | 0 | 0 | 0 | 111 | ||||
| 29 | T | 46 | Very low | 66.1 | Low | 128 Ų | 128 | 107 Ų | 107 | 79% | 0.785 | 58% | 0.583 | S | S | * | * | trans | -127 | 73 | 146.7 | 55.2 | 0 | 0 | 0 | 0 | 105.9 | E31 | T29-E31 PolarHBondContact O-N 2.93Š| ||
| 30 | D | 45.6 | Very low | 67.9 | Low | 143 Ų | 143 | 106.8 Ų | 106.8 | 77% | 0.765 | 59% | 0.588 | S | S | * | * | trans | -67.8 | 86.2 | 154.7 | -158 | 11.2 | 0 | 0 | 0 | 104.2 | V32 | D30-V32 PolarHBondContact O-N 2.84Š| ||
| 31 | E | 48.1 | Very low | 69.9 | Low | 179 Ų | 179 | 102.6 Ų | 102.6 | 84% | 0.836 | 57% | 0.571 | S | S | * | * | trans | -67.4 | 84 | 171 | -166 | 177.2 | -159.4 | 0 | 0 | 105 | T29 A33 | T29-E31 PolarHBondContact O-N 2.93Å; E31-A33 VanDerWaalsContact C-N 3.3Å; E31-A33 PolarHBondContact O-N 2.92Å | ||
| 32 | V | 57.8 | Low | 71.8 | Confident | 94 Ų | 94 | 97.4 Ų | 97.4 | 57% | 0.57 | 56% | 0.558 | S | S | * | * | trans | -56.1 | 103.3 | 170.7 | 176.1 | 0 | 0 | 0 | 0 | 104.9 | D30 I34 | D30-V32 PolarHBondContact O-N 2.84Å; V32-I34 VanDerWaalsContact C-N 3.31Å; V32-I34 WeakPolarHBondContact O-CG1 3.44Å; V32-I34 PolarHBondContact O-N 3.25Å | ||
| 33 | A | 63.1 | Low | 73.7 | Confident | 69 Ų | 69 | 95.6 Ų | 95.6 | 57% | 0.57 | 54% | 0.539 | S | S | * | . | trans | -63.6 | 94.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | E31 L35 Q120 | E31-A33 VanDerWaalsContact C-N 3.3Å; E31-A33 PolarHBondContact O-N 2.92Å; A33-L35 PolarHBondContact O-N 3.38Å; A33-L35 VanDerWaalsContact O-N 3.1Å; A33-Q120 PolarHBondContact O-OE1 3.21Å | ||
| 34 | I | 82.6 | Confident | 75.8 | Confident | 145 Ų | 145 | 94.1 Ų | 94.1 | 74% | 0.744 | 53% | 0.532 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 116.6 | -174.3 | -57.8 | 175.9 | 0 | 0 | 0 | 108.4 | V32 | V32-I34 VanDerWaalsContact C-N 3.31Å; V32-I34 WeakPolarHBondContact O-CG1 3.44Å; V32-I34 PolarHBondContact O-N 3.25Å |
| 35 | L | 93.1 | Very high | 77.6 | Confident | 10 Ų | 10 | 88.2 Ų | 88.2 | 5% | 0.052 | 50% | 0.502 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 121.5 | 174.6 | -170.1 | 70.7 | 0 | 0 | 0 | 109.1 | A33 V57 V59 A115 L117 S122 | A33-L35 PolarHBondContact O-N 3.38Å; A33-L35 VanDerWaalsContact O-N 3.1Å; L35-V57 HydrophobicContact CD1-CG1 4.11Å; L35-V59 HydrophobicContact CD1-CG2 3.84Å; L35-A115 HydrophobicContact CD2-CB 3.69Å; L35-A115 HydrophobicContact CG-CB 4.22Å; L35-L117 HydrophobicContact CD1-CB 4.08Å; L35-L117 HydrophobicContact CD1-CD2 4.28Å; L35-L117 HydrophobicContact CD2-CB 3.96Å; L35-S122 WeakPolarHBondContact O-CA 3.17Å; L35-S122 WeakPolarHBondContact O-CB 3.33Å |
| 36 | P | 94.6 | Very high | 79.5 | Confident | 75 Ų | 75 | 86.4 Ų | 86.4 | 49% | 0.487 | 49% | 0.489 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 144.1 | -174.9 | 27.9 | -34 | 0 | 0 | 0 | 110.7 | V57 S122 | P36-V57 HydrophobicContact CG-CG1 3.66Å; P36-V57 WeakPolarHBondContact O-CG2 3.32Å; P36-S122 WeakPolarHBondContact O-CB 3.48Å |
| 37 | A | 96.8 | Very high | 81.6 | Confident | 21 Ų | 21 | 82 Ų | 82 | 17% | 0.174 | 46% | 0.458 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 142.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q39 A123 S125 | A37-Q39 PolarHBondContact O-NE2 2.95Å; A37-A123 HydrophobicContact CB-CB 4.27Å; A37-A123 WeakPolarHBondContact CB-O 3.38Å; A37-S125 WeakPolarHBondContact CB-OG 3.37Å |
| 38 | P | 97.6 | Very high | 83.6 | Confident | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -55.7 | 142.7 | 178.3 | -26 | 35.6 | 0 | 0 | 0 | 112.3 | W54 V57 Y66 V113 A115 S125 | P38-W54 HydrophobicContact CB-CB 4.16Å; P38-W54 HydrophobicContact CB-CG 4.02Å; P38-V57 HydrophobicContact CG-CG2 4.29Å; P38-Y66 HydrophobicContact CG-CD1 4Å; P38-Y66 HydrophobicContact CG-CE1 3.98Å; P38-V113 HydrophobicContact CB-CG1 3.79Å; P38-V113 HydrophobicContact CG-CG1 3.97Å; P38-V113 HydrophobicContact CG-CG2 4.45Å; P38-A115 HydrophobicContact CG-CB 4.25Å; P38-S125 WeakPolarHBondContact O-CB 3.41Å; P38-S125 PolarHBondContact O-OG 2.99Å |
| 39 | Q | 97.1 | Very high | 85.6 | Confident | 114 Ų | 114 | 72.4 Ų | 72.4 | 53% | 0.533 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 169.4 | -177 | -61.3 | -58.5 | -41.7 | 0 | 0 | 111.6 | A37 L41 S55 | A37-Q39 PolarHBondContact O-NE2 2.95Å; Q39-L41 PolarHBondContact O-N 3.45Å; Q39-S55 PolarHBondContact O-N 3.47Å |
| 40 | N | 97.3 | Very high | 88.1 | Confident | 125 Ų | 125 | 66.4 Ų | 66.4 | 67% | 0.668 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 55.4 | 48.7 | 174.2 | -53.9 | -42.5 | 0 | 0 | 0 | 113.9 | S42 S55 | N40-S42 PolarHBondContact O-N 3.3Å; N40-S55 WeakPolarHBondContact CB-OG 3.25Å; N40-S55 PolarHBondContact ND2-OG 2.65Å |
| 41 | L | 98.4 | Very high | 90.6 | Very high | 31 Ų | 31 | 61.3 Ų | 61.3 | 16% | 0.162 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 132.8 | 175.2 | -82 | 64.2 | 0 | 0 | 0 | 110.6 | Q39 M53 W54 V113 S125 L127 | Q39-L41 PolarHBondContact O-N 3.45Å; L41-M53 CarbonylContact C-O 3.46Å; L41-M53 VanDerWaalsContact CA-O 3.31Å; L41-M53 WeakPolarHBondContact CA-O 3.39Å; L41-W54 HydrophobicContact CD1-CB 4.03Å; L41-W54 HydrophobicContact CG-CB 4.36Å; L41-V113 HydrophobicContact CD1-CG1 3.95Å; L41-V113 HydrophobicContact CD2-CG1 3.97Å; L41-V113 HydrophobicContact CG-CG1 4.04Å; L41-S125 WeakPolarHBondContact CD2-O 3.26Å; L41-L127 HydrophobicContact CB-CD1 3.87Å; L41-L127 HydrophobicContact CD2-CB 4.35Å; L41-L127 WeakPolarHBondContact O-CD1 3.24Å |
| 42 | S | 98.2 | Very high | 93 | Very high | 51 Ų | 51 | 52.8 Ų | 52.8 | 36% | 0.357 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 159.6 | 174.8 | 61 | 0 | 0 | 0 | 0 | 110.7 | N40 M53 | N40-S42 PolarHBondContact O-N 3.3Å; S42-M53 PolarHBondContact N-O 3.07Å; S42-M53 PolarHBondContact O-N 3.1Å |
| 43 | V | 98.6 | Very high | 94.9 | Very high | 35 Ų | 35 | 51 Ų | 51 | 21% | 0.212 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 119.8 | 175.1 | -178.9 | 0 | 0 | 0 | 0 | 108.9 | L51 L52 L111 L127 F131 | V43-L51 CarbonylContact C-O 3.56Å; V43-L51 WeakPolarHBondContact CA-O 3.37Å; V43-L52 HydrophobicContact CG2-CD1 3.9Å; V43-L111 HydrophobicContact CG2-CD1 3.81Å; V43-L127 HydrophobicContact CG2-CD1 4.44Å; V43-L127 HydrophobicContact CG2-CD2 3.73Å; V43-F131 HydrophobicContact CB-CD2 3.85Å; V43-F131 HydrophobicContact CB-CE2 4.23Å; V43-F131 HydrophobicContact CB-CG 4.22Å; V43-F131 HydrophobicContact CG1-CD1 4.2Å; V43-F131 HydrophobicContact CG1-CD2 3.63Å; V43-F131 HydrophobicContact CG1-CE1 4.15Å; V43-F131 HydrophobicContact CG1-CE2 3.59Å; V43-F131 HydrophobicContact CG1-CG 3.94Å; V43-F131 HydrophobicContact CG1-CZ 3.86Å; V43-F131 HydrophobicContact CG2-CB 4.16Å; V43-F131 HydrophobicContact CG2-CD2 4.26Å; V43-F131 HydrophobicContact CG2-CG 4.16Å |
| 44 | L | 98.1 | Very high | 96.6 | Very high | 80 Ų | 80 | 48.4 Ų | 48.4 | 42% | 0.419 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 116.2 | 167.8 | 177.3 | 63 | 0 | 0 | 0 | 108.3 | L51 M53 | L44-L51 HydrophobicContact CB-CB 4.47Å; L44-L51 PolarHBondContact N-O 2.87Å; L44-L51 PolarHBondContact O-N 3.31Å; L44-M53 HydrophobicContact CB-CE 3.69Å; L44-M53 HydrophobicContact CB-SD 4.38Å |
| 45 | S | 98.2 | Very high | 97.3 | Very high | 8 Ų | 8 | 43.5 Ų | 43.5 | 6% | 0.056 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 110.4 | -177.7 | -175.9 | 0 | 0 | 0 | 0 | 111.1 | K49 H50 T136 I137 | S45-K49 VanDerWaalsContact CA-O 3.29Å; S45-K49 WeakPolarHBondContact CA-O 3.32Å; S45-H50 PolarHBondContact OG-CE1 3.18Å; S45-H50 PolarHBondContact OG-ND1 3.46Å; S45-T136 PolarHBondContact O-OG1 2.9Å; S45-T136 WeakPolarHBondContact OG-CA 3.37Å; S45-T136 WeakPolarHBondContact OG-CB 3.26Å; S45-T136 PolarHBondContact OG-OG1 3.2Å; S45-I137 PolarHBondContact O-N 2.82Å |
| 46 | T | 96.9 | Very high | 97.4 | Very high | 52 Ų | 52 | 46.9 Ų | 46.9 | 32% | 0.319 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 128.6 | -179.2 | -54.4 | 0 | 0 | 0 | 0 | 109.2 | M48 K49 I137 T139 | T46-M48 VanDerWaalsContact C-N 3.29Å; T46-M48 PolarHBondContact O-N 3.26Å; T46-K49 PolarHBondContact N-O 3.48Å; T46-K49 WeakPolarHBondContact O-CB 3.27Å; T46-K49 PolarHBondContact O-N 3.18Å; T46-I137 CarbonylContact C-O 3.54Å; T46-I137 WeakPolarHBondContact CA-O 3.26Å; T46-T139 HydrophobicContact CG2-CG2 4.22Å |
| 47 | N | 96.4 | Very high | 97.5 | Very high | 31 Ų | 31 | 44 Ų | 44 | 17% | 0.166 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 45.7 | 51.5 | -178.8 | -62.5 | -23 | 0 | 0 | 0 | 112.8 | K49 I137 T139 F163 | N47-K49 PolarHBondContact O-N 3.41Å; N47-I137 PolarHBondContact N-O 3.43Å; N47-T139 PolarHBondContact ND2-OG1 3.15Å; N47-T139 PolarHBondContact OD1-N 3.1Å; N47-T139 PolarHBondContact OD1-OG1 3.29Å; N47-F163 VanDerWaalsContact C-CZ 3.45Å; N47-F163 HydrophobicContact CB-CE1 4.41Å; N47-F163 HydrophobicContact CB-CZ 3.82Å; N47-F163 WeakPolarHBondContact O-CE2 3.44Å; N47-F163 WeakPolarHBondContact O-CZ 3.3Å |
| 48 | M | 96.6 | Very high | 97.2 | Very high | 14 Ų | 14 | 48.8 Ų | 48.8 | 7% | 0.069 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 6.6 | 178.8 | -57.3 | -61.6 | -63.8 | 0 | 0 | 115.4 | T46 H50 T100 R133 T136 F163 V209 I212 | T46-M48 VanDerWaalsContact C-N 3.29Å; T46-M48 PolarHBondContact O-N 3.26Å; M48-H50 PolarHBondContact O-CE1 2.8Å; M48-H50 PolarHBondContact O-NE2 2.7Å; M48-T100 VanDerWaalsContact O-CG2 3.3Å; M48-T100 WeakPolarHBondContact O-CG2 3.39Å; M48-R133 HydrophobicContact CE-CB 4.14Å; M48-R133 HydrophobicContact CE-CG 4.09Å; M48-T136 PolarHBondContact N-OG1 2.81Å; M48-T136 HydrophobicContact SD-CG2 3.61Å; M48-F163 HydrophobicContact CB-CE2 4.05Å; M48-F163 HydrophobicContact CB-CZ 4.03Å; M48-F163 HydrophobicContact CG-CE2 3.99Å; M48-F163 HydrophobicContact CG-CZ 3.66Å; M48-V209 HydrophobicContact CE-CG1 4.3Å; M48-V209 HydrophobicContact CG-CG1 3.89Å; M48-V209 HydrophobicContact CG-CG2 4.25Å; M48-V209 HydrophobicContact SD-CG1 3.84Å; M48-I212 HydrophobicContact CE-CG2 4.41Å; M48-I212 HydrophobicContact SD-CD1 3.98Å; M48-I212 HydrophobicContact SD-CG2 4.49Å |
| 49 | K | 96.6 | Very high | 96.9 | Very high | 115 Ų | 115 | 50.8 Ų | 50.8 | 50% | 0.5 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 130.4 | 166.6 | -170.4 | 175.5 | -173.4 | 175.6 | 0 | 109.5 | S45 T46 N47 D98 T100 | S45-K49 VanDerWaalsContact CA-O 3.29Å; S45-K49 WeakPolarHBondContact CA-O 3.32Å; T46-K49 PolarHBondContact N-O 3.48Å; T46-K49 WeakPolarHBondContact O-CB 3.27Å; T46-K49 PolarHBondContact O-N 3.18Å; N47-K49 PolarHBondContact O-N 3.41Å; K49-D98 WeakPolarHBondContact CE-OD2 3.23Å; K49-D98 IonicContact NZ-OD2 3.82Å; K49-T100 WeakPolarHBondContact CA-OG1 3.41Å |
| 50 | H | 97.8 | Very high | 96.5 | Very high | 3 Ų | 3 | 51.2 Ų | 51.2 | 1% | 0.014 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 105.2 | -170.1 | -51.8 | -43 | 0 | 0 | 0 | 110.8 | S45 M48 V99 T100 F131 R133 | S45-H50 PolarHBondContact OG-CE1 3.18Å; S45-H50 PolarHBondContact OG-ND1 3.46Å; M48-H50 PolarHBondContact O-CE1 2.8Å; M48-H50 PolarHBondContact O-NE2 2.7Å; H50-V99 HydrophobicContact CB-CG2 3.92Å; H50-V99 WeakPolarHBondContact O-CG2 3.43Å; H50-V99 PolarHBondContact O-N 2.85Å; H50-T100 PolarHBondContact N-OG1 2.93Å; H50-F131 HydrophobicContact CB-CE1 4.16Å; H50-F131 HydrophobicContact CB-CZ 4.42Å; H50-F131 AromaticContact CE1-CZ 3.88Å; H50-F131 AromaticContact CG-CE1 3.74Å; H50-F131 AromaticContact CG-CZ 3.91Å; H50-F131 AromaticContact ND1-CE1 3.79Å; H50-F131 AromaticContact ND1-CZ 3.5Å; H50-R133 WeakPolarHBondContact NE2-CB 3.42Å |
| 51 | L | 98.1 | Very high | 96.1 | Very high | 36 Ų | 36 | 49.4 Ų | 49.4 | 19% | 0.188 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 113.6 | 176.8 | -72.5 | 176.2 | 0 | 0 | 0 | 110.6 | V43 L44 C97 D98 | V43-L51 CarbonylContact C-O 3.56Å; V43-L51 WeakPolarHBondContact CA-O 3.37Å; L44-L51 HydrophobicContact CB-CB 4.47Å; L44-L51 PolarHBondContact N-O 2.87Å; L44-L51 PolarHBondContact O-N 3.31Å; L51-C97 CarbonylContact C-O 3.59Å; L51-C97 WeakPolarHBondContact CA-O 3.31Å; L51-D98 HydrophobicContact CD2-CB 3.9Å |
| 52 | L | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 126.2 | 167 | 177.9 | 68.3 | 0 | 0 | 0 | 108.5 | V43 W54 V68 E96 C97 V99 L111 | V43-L52 HydrophobicContact CG2-CD1 3.9Å; L52-W54 HydrophobicContact CB-CZ3 4.33Å; L52-W54 HydrophobicContact CD2-CE3 4.28Å; L52-W54 HydrophobicContact CD2-CZ3 3.91Å; L52-W54 HydrophobicContact CG-CE3 3.98Å; L52-W54 HydrophobicContact CG-CZ3 3.83Å; L52-W54 WeakPolarHBondContact O-CZ3 3.3Å; L52-V68 HydrophobicContact CD2-CG1 3.69Å; L52-V68 HydrophobicContact CD2-CG2 4.15Å; L52-E96 CarbonylContact O-C 3.45Å; L52-E96 WeakPolarHBondContact O-CA 3.32Å; L52-C97 HydrophobicContact CB-CB 4.5Å; L52-C97 PolarHBondContact N-O 2.98Å; L52-C97 PolarHBondContact O-N 2.88Å; L52-V99 HydrophobicContact CB-CG1 4.27Å; L52-L111 HydrophobicContact CD1-CB 4.28Å; L52-L111 HydrophobicContact CD1-CD1 4.01Å; L52-L111 HydrophobicContact CD2-CB 4.15Å; L52-L111 HydrophobicContact CD2-CD1 4.43Å |
| 53 | M | 98.4 | Very high | 95.6 | Very high | 57 Ų | 57 | 54.1 Ų | 54.1 | 28% | 0.281 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 149.1 | -178 | -58.9 | -179.3 | -59.8 | 0 | 0 | 111 | L41 S42 L44 E96 | L41-M53 CarbonylContact C-O 3.46Å; L41-M53 VanDerWaalsContact CA-O 3.31Å; L41-M53 WeakPolarHBondContact CA-O 3.39Å; S42-M53 PolarHBondContact N-O 3.07Å; S42-M53 PolarHBondContact O-N 3.1Å; L44-M53 HydrophobicContact CB-CE 3.69Å; L44-M53 HydrophobicContact CB-SD 4.38Å; M53-E96 HydrophobicContact CG-CB 4.22Å |
| 54 | W | 98.3 | Very high | 95.5 | Very high | 13 Ų | 13 | 52.9 Ų | 52.9 | 5% | 0.049 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 167.5 | 175.5 | 52.7 | 89.2 | 0 | 0 | 0 | 111.4 | P38 L41 L52 Y66 V68 G94 P95 E96 C97 V113 | P38-W54 HydrophobicContact CB-CB 4.16Å; P38-W54 HydrophobicContact CB-CG 4.02Å; L41-W54 HydrophobicContact CD1-CB 4.03Å; L41-W54 HydrophobicContact CG-CB 4.36Å; L52-W54 HydrophobicContact CB-CZ3 4.33Å; L52-W54 HydrophobicContact CD2-CE3 4.28Å; L52-W54 HydrophobicContact CD2-CZ3 3.91Å; L52-W54 HydrophobicContact CG-CE3 3.98Å; L52-W54 HydrophobicContact CG-CZ3 3.83Å; L52-W54 WeakPolarHBondContact O-CZ3 3.3Å; W54-Y66 AromaticContact CD1-CE1 3.95Å; W54-Y66 AromaticContact CE2-CD1 3.92Å; W54-Y66 AromaticContact CE2-CG 3.8Å; W54-Y66 HydrophobicContact CZ2-CD1 4.17Å; W54-Y66 AromaticContact CZ2-CD2 3.88Å; W54-Y66 HydrophobicContact CZ2-CD2 3.88Å; W54-Y66 AromaticContact CZ2-CG 3.59Å; W54-Y66 HydrophobicContact CZ2-CG 3.59Å; W54-Y66 AromaticContact NE1-CD1 3.28Å; W54-Y66 VanDerWaalsContact NE1-CD1 3.28Å; W54-Y66 AromaticContact NE1-CD2 3.7Å; W54-Y66 AromaticContact NE1-CE1 3.32Å; W54-Y66 VanDerWaalsContact NE1-CE1 3.32Å; W54-Y66 AromaticContact NE1-CE2 3.76Å; W54-Y66 AromaticContact NE1-CG 3.48Å; W54-Y66 AromaticContact NE1-CZ 3.58Å; W54-V68 HydrophobicContact CH2-CG2 3.72Å; W54-V68 HydrophobicContact CZ3-CG2 3.9Å; W54-G94 WeakPolarHBondContact CZ2-O 3.47Å; W54-P95 VanDerWaalsContact CE2-C 3.44Å; W54-P95 PolarHBondContact N-O 2.85Å; W54-E96 VanDerWaalsContact CH2-C 3.46Å; W54-C97 HydrophobicContact CH2-CB 3.81Å; W54-C97 HydrophobicContact CZ3-CB 3.96Å; W54-V113 HydrophobicContact CD2-CB 4.47Å; W54-V113 HydrophobicContact CD2-CG1 4.09Å; W54-V113 HydrophobicContact CD2-CG2 4Å; W54-V113 HydrophobicContact CE3-CB 4.3Å; W54-V113 HydrophobicContact CE3-CG1 4.15Å; W54-V113 HydrophobicContact CE3-CG2 4.1Å; W54-V113 HydrophobicContact CG-CG1 4.27Å; W54-V113 HydrophobicContact CH2-CG2 3.93Å; W54-V113 HydrophobicContact CZ2-CG2 3.82Å; W54-V113 HydrophobicContact CZ3-CB 4.46Å; W54-V113 HydrophobicContact CZ3-CG2 4.07Å |
| 55 | S | 97.6 | Very high | 95.5 | Very high | 43 Ų | 43 | 53.7 Ų | 53.7 | 30% | 0.301 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 132.7 | 171.2 | -62.1 | 0 | 0 | 0 | 0 | 110.4 | Q39 N40 | Q39-S55 PolarHBondContact O-N 3.47Å; N40-S55 WeakPolarHBondContact CB-OG 3.25Å; N40-S55 PolarHBondContact ND2-OG 2.65Å |
| 56 | P | 95.9 | Very high | 95.5 | Very high | 80 Ų | 80 | 53.5 Ų | 53.5 | 52% | 0.519 | 31% | 0.313 | S | S | . | . | trans | -65.6 | 138.9 | -178.3 | 26.9 | -34.1 | 0 | 0 | 0 | 111 | P95 | P56-P95 HydrophobicContact CB-CB 4.16Š| ||
| 57 | V | 95.6 | Very high | 95.5 | Very high | 16 Ų | 16 | 51.8 Ų | 51.8 | 10% | 0.097 | 30% | 0.303 | C | S | . | . | trans | -85.5 | 115.4 | 168.7 | 173 | 0 | 0 | 0 | 0 | 107.9 | L35 P36 P38 V64 Y66 A115 | L35-V57 HydrophobicContact CD1-CG1 4.11Å; P36-V57 HydrophobicContact CG-CG1 3.66Å; P36-V57 WeakPolarHBondContact O-CG2 3.32Å; P38-V57 HydrophobicContact CG-CG2 4.29Å; V57-V64 HydrophobicContact CB-CG1 4.28Å; V57-V64 HydrophobicContact CG1-CG1 4.43Å; V57-V64 HydrophobicContact CG1-CG2 4.42Å; V57-Y66 HydrophobicContact CB-CE1 4.42Å; V57-Y66 HydrophobicContact CG2-CE1 4.32Å; V57-Y66 PolarHBondContact N-OH 2.69Å; V57-A115 HydrophobicContact CB-CB 4.43Å; V57-A115 HydrophobicContact CG2-CB 4.2Å | ||
| 58 | T | 91.7 | Very high | 95.6 | Very high | 121 Ų | 121 | 50.4 Ų | 50.4 | 74% | 0.742 | 30% | 0.296 | S | S | * | . | trans | -102.9 | 122.4 | -177.4 | -42 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 59 | V | 90.3 | Very high | 95.7 | Very high | 41 Ų | 41 | 51.3 Ų | 51.3 | 25% | 0.248 | 30% | 0.3 | C | S | . | . | B | Isolated β-bridge | trans | -120.1 | 122.1 | 170.4 | -178.1 | 0 | 0 | 0 | 0 | 107.6 | L35 G61 E62 V64 L117 | L35-V59 HydrophobicContact CD1-CG2 3.84Å; V59-G61 PolarHBondContact O-N 3.41Å; V59-E62 HydrophobicContact CB-CB 4.12Å; V59-E62 HydrophobicContact CG1-CB 3.97Å; V59-E62 HydrophobicContact CG1-CG 4.1Å; V59-E62 PolarHBondContact O-N 2.85Å; V59-V64 HydrophobicContact CB-CG2 4.35Å; V59-V64 HydrophobicContact CG2-CG2 4Å; V59-L117 HydrophobicContact CB-CD2 4.14Å; V59-L117 HydrophobicContact CG1-CD2 3.91Å; V59-L117 HydrophobicContact CG2-CD2 4.06Å |
| 60 | P | 90.1 | Very high | 95.8 | Very high | 124 Ų | 124 | 47.5 Ų | 47.5 | 81% | 0.805 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 125.1 | -175.2 | -26.3 | 34.6 | 0 | 0 | 0 | 112.8 | E62 | P60-E62 VanDerWaalsContact C-N 3.27Å; P60-E62 PolarHBondContact O-N 3.41Å |
| 61 | G | 88.8 | Confident | 95.8 | Very high | 87 Ų | 87 | 47.7 Ų | 47.7 | 90% | 0.897 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.4 | 3.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | V59 | V59-G61 PolarHBondContact O-N 3.41Š|
| 62 | E | 92.2 | Very high | 95.7 | Very high | 119 Ų | 119 | 46.1 Ų | 46.1 | 56% | 0.556 | 28% | 0.276 | S | S | * | . | B | Isolated β-bridge | trans | -126.9 | 146.4 | -173.5 | -67.2 | -67.4 | 173.4 | 0 | 0 | 111.5 | V59 P60 L117 | V59-E62 HydrophobicContact CB-CB 4.12Å; V59-E62 HydrophobicContact CG1-CB 3.97Å; V59-E62 HydrophobicContact CG1-CG 4.1Å; V59-E62 PolarHBondContact O-N 2.85Å; P60-E62 VanDerWaalsContact C-N 3.27Å; P60-E62 PolarHBondContact O-N 3.41Å; E62-L117 HydrophobicContact CB-CD1 3.8Å; E62-L117 HydrophobicContact CB-CD2 4.13Å; E62-L117 HydrophobicContact CG-CD1 4.4Å; E62-L117 HydrophobicContact CG-CD2 4.36Å |
| 63 | T | 93.6 | Very high | 95.6 | Very high | 61 Ų | 61 | 50.2 Ų | 50.2 | 37% | 0.374 | 30% | 0.295 | S | S | . | . | trans | -96.7 | 121.8 | 175.7 | -60 | 0 | 0 | 0 | 0 | 110.1 | Y65 E93 L117 | T63-Y65 HydrophobicContact CG2-CE1 4.32Å; T63-Y65 HydrophobicContact CG2-CE2 4.18Å; T63-E93 HydrophobicContact CG2-CG 3.69Å; T63-L117 VanDerWaalsContact O-CD1 3.31Å; T63-L117 WeakPolarHBondContact O-CD1 3.37Å | ||
| 64 | V | 95.9 | Very high | 95.4 | Very high | 9 Ų | 9 | 54.4 Ų | 54.4 | 6% | 0.055 | 31% | 0.309 | C | S | . | . | trans | -95.7 | 132.4 | 178.6 | 179.3 | 0 | 0 | 0 | 0 | 109.8 | V57 V59 Y66 A115 | V57-V64 HydrophobicContact CB-CG1 4.28Å; V57-V64 HydrophobicContact CG1-CG1 4.43Å; V57-V64 HydrophobicContact CG1-CG2 4.42Å; V59-V64 HydrophobicContact CB-CG2 4.35Å; V59-V64 HydrophobicContact CG2-CG2 4Å; V64-Y66 HydrophobicContact CG1-CE1 4.12Å; V64-A115 HydrophobicContact CG1-CB 3.69Å | ||
| 65 | Y | 97.3 | Very high | 95.3 | Very high | 97 Ų | 97 | 55.9 Ų | 55.9 | 38% | 0.38 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 156.8 | 175.5 | -63.7 | -80.8 | 0 | 0 | 0 | 111.3 | T63 T92 E93 A115 T116 | T63-Y65 HydrophobicContact CG2-CE1 4.32Å; T63-Y65 HydrophobicContact CG2-CE2 4.18Å; Y65-T92 CarbonylContact C-O 3.45Å; Y65-T92 VanDerWaalsContact CA-O 3.31Å; Y65-T92 WeakPolarHBondContact CA-O 3Å; Y65-E93 HydrophobicContact CD1-CB 4.31Å; Y65-E93 HydrophobicContact CE1-CB 4.2Å; Y65-A115 CarbonylContact O-C 3.5Å; Y65-A115 WeakPolarHBondContact O-CA 3.29Å; Y65-T116 PolarHBondContact N-O 2.94Å; Y65-T116 PolarHBondContact O-N 3.41Å |
| 66 | Y | 98.3 | Very high | 95.2 | Very high | 5 Ų | 5 | 56 Ų | 56 | 2% | 0.02 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 146 | -179.3 | -55.2 | -81.1 | 0 | 0 | 0 | 111.7 | P38 W54 V57 V64 L91 T92 G94 V113 R114 A115 | P38-Y66 HydrophobicContact CG-CD1 4Å; P38-Y66 HydrophobicContact CG-CE1 3.98Å; W54-Y66 AromaticContact CD1-CE1 3.95Å; W54-Y66 AromaticContact CE2-CD1 3.92Å; W54-Y66 AromaticContact CE2-CG 3.8Å; W54-Y66 HydrophobicContact CZ2-CD1 4.17Å; W54-Y66 AromaticContact CZ2-CD2 3.88Å; W54-Y66 HydrophobicContact CZ2-CD2 3.88Å; W54-Y66 AromaticContact CZ2-CG 3.59Å; W54-Y66 HydrophobicContact CZ2-CG 3.59Å; W54-Y66 AromaticContact NE1-CD1 3.28Å; W54-Y66 VanDerWaalsContact NE1-CD1 3.28Å; W54-Y66 AromaticContact NE1-CD2 3.7Å; W54-Y66 AromaticContact NE1-CE1 3.32Å; W54-Y66 VanDerWaalsContact NE1-CE1 3.32Å; W54-Y66 AromaticContact NE1-CE2 3.76Å; W54-Y66 AromaticContact NE1-CG 3.48Å; W54-Y66 AromaticContact NE1-CZ 3.58Å; V57-Y66 HydrophobicContact CB-CE1 4.42Å; V57-Y66 HydrophobicContact CG2-CE1 4.32Å; V57-Y66 PolarHBondContact N-OH 2.69Å; V64-Y66 HydrophobicContact CG1-CE1 4.12Å; Y66-L91 CarbonylContact O-C 3.56Å; Y66-L91 WeakPolarHBondContact O-CA 3.38Å; Y66-L91 PolarHBondContact O-N 3.37Å; Y66-T92 WeakPolarHBondContact CD2-O 3.38Å; Y66-T92 PolarHBondContact N-O 2.99Å; Y66-T92 PolarHBondContact O-N 2.88Å; Y66-G94 WeakPolarHBondContact CD2-O 3.08Å; Y66-V113 HydrophobicContact CD1-CG2 4.28Å; Y66-R114 VanDerWaalsContact CA-O 3.28Å; Y66-R114 WeakPolarHBondContact CA-O 3.44Å; Y66-A115 HydrophobicContact CD1-CB 4.09Å; Y66-A115 HydrophobicContact CE1-CB 3.92Å |
| 67 | S | 98.3 | Very high | 95.2 | Very high | 15 Ų | 15 | 57.7 Ų | 57.7 | 11% | 0.105 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 131.4 | 170.5 | -51 | 0 | 0 | 0 | 0 | 109.2 | C89 V113 R114 W124 | S67-C89 WeakPolarHBondContact CA-O 3.44Å; S67-V113 WeakPolarHBondContact O-CA 3.23Å; S67-R114 PolarHBondContact N-O 3.01Å; S67-R114 PolarHBondContact O-N 3.43Å; S67-R114 VanDerWaalsContact O-N 3.11Å; S67-W124 WeakPolarHBondContact O-CZ3 3.21Å |
| 68 | V | 98.6 | Very high | 95.2 | Very high | 2 Ų | 2 | 64.9 Ų | 64.9 | 1% | 0.012 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 137.9 | 179.4 | 177.7 | 0 | 0 | 0 | 0 | 109.8 | L52 W54 S86 C89 C97 V99 R112 V113 | L52-V68 HydrophobicContact CD2-CG1 3.69Å; L52-V68 HydrophobicContact CD2-CG2 4.15Å; W54-V68 HydrophobicContact CH2-CG2 3.72Å; W54-V68 HydrophobicContact CZ3-CG2 3.9Å; V68-S86 WeakPolarHBondContact O-CB 3.21Å; V68-S86 PolarHBondContact O-N 2.77Å; V68-C89 HydrophobicContact CB-CB 3.89Å; V68-C89 HydrophobicContact CG2-CB 3.97Å; V68-C89 PolarHBondContact N-O 3.39Å; V68-C97 HydrophobicContact CG2-CB 3.78Å; V68-V99 HydrophobicContact CG1-CG1 4.14Å; V68-R112 WeakPolarHBondContact CA-O 3.32Å; V68-V113 HydrophobicContact CG2-CB 4.22Å; V68-V113 HydrophobicContact CG2-CG2 3.9Å |
| 69 | E | 98.5 | Very high | 95.3 | Very high | 33 Ų | 33 | 60.6 Ų | 60.6 | 15% | 0.154 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 155.8 | 172.9 | -67.4 | 177.5 | -179 | 0 | 0 | 110.6 | W83 I84 R112 W124 | E69-W83 HydrophobicContact CB-CB 4.11Å; E69-W83 HydrophobicContact CB-CE3 4.05Å; E69-W83 WeakPolarHBondContact OE2-CB 3.01Å; E69-I84 CarbonylContact C-O 3.52Å; E69-I84 WeakPolarHBondContact CA-O 3.39Å; E69-I84 WeakPolarHBondContact CB-O 3.37Å; E69-R112 HydrophobicContact CB-CG 3.93Å; E69-R112 PolarHBondContact N-O 2.03Å; E69-R112 PolarHBondContact O-N 3.27Å; E69-R112 IonicContact OE2-CZ 2.7Å; E69-R112 IonicContact OE2-NE 3.54Å; E69-R112 PolarHBondContact OE2-NE 2.97Å; E69-R112 IonicContact OE2-NH2 2.8Å; E69-R112 PolarHBondContact OE2-NH2 3.34Å; E69-W124 HydrophobicContact CB-CH2 4.29Å; E69-W124 HydrophobicContact CB-CZ3 4.48Å; E69-W124 HydrophobicContact CG-CH2 3.67Å; E69-W124 HydrophobicContact CG-CZ2 4.33Å; E69-W124 HydrophobicContact CG-CZ3 4.3Å; E69-W124 WeakPolarHBondContact OE1-CZ2 3.39Å |
| 70 | Y | 98.3 | Very high | 95.4 | Very high | 35 Ų | 35 | 62.5 Ų | 62.5 | 14% | 0.137 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 163.2 | -178.7 | 70.9 | -88.4 | 0 | 0 | 0 | 112.9 | I84 D102 Y109 N110 | Y70-I84 HydrophobicContact CD1-CB 4.21Å; Y70-I84 HydrophobicContact CD1-CG2 4.49Å; Y70-I84 WeakPolarHBondContact CD1-O 3.29Å; Y70-I84 HydrophobicContact CD2-CB 4.42Å; Y70-I84 HydrophobicContact CE1-CB 3.83Å; Y70-I84 HydrophobicContact CE1-CG2 3.67Å; Y70-I84 HydrophobicContact CE2-CB 4.06Å; Y70-I84 HydrophobicContact CE2-CD1 3.86Å; Y70-I84 HydrophobicContact CE2-CG2 4.32Å; Y70-I84 PolarHBondContact N-O 3.36Å; Y70-I84 PolarHBondContact O-N 3.48Å; Y70-I84 WeakPolarHBondContact OH-CG2 3.17Å; Y70-D102 HydrophobicContact CD1-CB 3.76Å; Y70-D102 HydrophobicContact CE1-CB 3.58Å; Y70-D102 HydrophobicContact CE2-CB 4.5Å; Y70-D102 HydrophobicContact CG-CB 4.28Å; Y70-Y109 AromaticContact CD2-CD1 3.91Å; Y70-Y109 HydrophobicContact CD2-CD1 3.91Å; Y70-Y109 AromaticContact CD2-CE1 3.95Å; Y70-Y109 HydrophobicContact CD2-CE1 3.95Å; Y70-Y109 HydrophobicContact CE2-CE1 4.21Å; Y70-N110 CarbonylContact C-O 3.52Å; Y70-N110 VanDerWaalsContact CA-O 3.26Å; Y70-N110 WeakPolarHBondContact CA-O 2.98Å |
| 71 | Q | 97.7 | Very high | 95.6 | Very high | 7 Ų | 7 | 63.7 Ų | 63.7 | 3% | 0.033 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 129.7 | 166.6 | -67.1 | 179.9 | -48.2 | 0 | 0 | 108.4 | E75 S80 I82 W83 Y109 N110 | Q71-E75 HydrophobicContact CB-CB 4.02Å; Q71-E75 HydrophobicContact CG-CB 4.23Å; Q71-S80 PolarHBondContact NE2-O 2.71Å; Q71-I82 WeakPolarHBondContact CG-O 3.45Å; Q71-I82 PolarHBondContact NE2-O 2.82Å; Q71-W83 HydrophobicContact CG-CD2 3.6Å; Q71-W83 HydrophobicContact CG-CE3 3.69Å; Q71-W83 HydrophobicContact CG-CG 4.01Å; Q71-W83 HydrophobicContact CG-CH2 4.39Å; Q71-W83 HydrophobicContact CG-CZ2 4.31Å; Q71-W83 HydrophobicContact CG-CZ3 4.08Å; Q71-W83 VanDerWaalsContact OE1-CZ2 3.23Å; Q71-Y109 CarbonylContact O-C 3.6Å; Q71-Y109 VanDerWaalsContact O-CA 3.23Å; Q71-Y109 WeakPolarHBondContact O-CA 3.43Å; Q71-N110 HydrophobicContact CB-CB 4.26Å; Q71-N110 PolarHBondContact N-O 3Å; Q71-N110 PolarHBondContact O-N 3.36Å |
| 72 | G | 96.6 | Very high | 96 | Very high | 3 Ų | 3 | 63.1 Ų | 63.1 | 3% | 0.031 | 31% | 0.307 | C | S | . | . | trans | -75.4 | 179 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y74 E75 S76 | G72-Y74 VanDerWaalsContact C-N 3.26Å; G72-Y74 PolarHBondContact O-N 3.5Å; G72-E75 VanDerWaalsContact CA-OE2 3.24Å; G72-E75 WeakPolarHBondContact CA-OE2 3.43Å; G72-E75 PolarHBondContact N-OE2 3.43Å; G72-E75 PolarHBondContact O-N 2.97Å; G72-S76 VanDerWaalsContact O-CB 3.32Å; G72-S76 WeakPolarHBondContact O-CB 3.24Å; G72-S76 PolarHBondContact O-N 2.97Å | ||
| 73 | E | 95.2 | Very high | 96.3 | Very high | 86 Ų | 86 | 59.6 Ų | 59.6 | 40% | 0.402 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.1 | -36.3 | 178 | -178.1 | 174.3 | -128.1 | 0 | 0 | 112.2 | S76 L77 V107 P108 | E73-S76 PolarHBondContact O-N 2.91Å; E73-L77 HydrophobicContact CG-CD1 3.84Å; E73-L77 HydrophobicContact CG-CG 4.39Å; E73-L77 WeakPolarHBondContact O-CB 3.36Å; E73-L77 VanDerWaalsContact O-CG 3.31Å; E73-L77 WeakPolarHBondContact O-CG 3.37Å; E73-L77 PolarHBondContact O-N 3.28Å; E73-V107 HydrophobicContact CB-CB 3.81Å; E73-V107 HydrophobicContact CB-CG1 4.47Å; E73-V107 HydrophobicContact CB-CG2 3.84Å; E73-V107 WeakPolarHBondContact OE2-CG1 3.45Å; E73-P108 PolarHBondContact N-O 3.07Å |
| 74 | Y | 95.5 | Very high | 96.5 | Very high | 146 Ų | 146 | 59 Ų | 59 | 57% | 0.573 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -62.5 | -51.4 | 176.9 | 178.6 | -95.6 | 0 | 0 | 0 | 111.4 | G72 S76 L77 Y78 | G72-Y74 VanDerWaalsContact C-N 3.26Å; G72-Y74 PolarHBondContact O-N 3.5Å; Y74-S76 VanDerWaalsContact C-N 3.3Å; Y74-S76 PolarHBondContact O-N 3.32Å; Y74-L77 PolarHBondContact O-N 3.44Å; Y74-Y78 AromaticContact CD2-CD2 3.43Å; Y74-Y78 HydrophobicContact CD2-CD2 3.43Å; Y74-Y78 VanDerWaalsContact CD2-CD2 3.43Å; Y74-Y78 AromaticContact CD2-CE2 3.94Å; Y74-Y78 HydrophobicContact CD2-CE2 3.94Å; Y74-Y78 HydrophobicContact CD2-CG 4.3Å; Y74-Y78 AromaticContact CE2-CD2 3.6Å; Y74-Y78 HydrophobicContact CE2-CD2 3.6Å; Y74-Y78 HydrophobicContact CE2-CE2 4.22Å; Y74-Y78 HydrophobicContact CE2-CG 4.05Å; Y74-Y78 HydrophobicContact CG-CD2 4.13Å; Y74-Y78 WeakPolarHBondContact O-CD2 3.39Å; Y74-Y78 PolarHBondContact O-N 3.44Å |
| 75 | E | 96.1 | Very high | 96.6 | Very high | 43 Ų | 43 | 62.2 Ų | 62.2 | 20% | 0.201 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 178.7 | -65.7 | 70.6 | -152.5 | 0 | 0 | 110.8 | Q71 G72 L77 T79 S80 I84 | Q71-E75 HydrophobicContact CB-CB 4.02Å; Q71-E75 HydrophobicContact CG-CB 4.23Å; G72-E75 VanDerWaalsContact CA-OE2 3.24Å; G72-E75 WeakPolarHBondContact CA-OE2 3.43Å; G72-E75 PolarHBondContact N-OE2 3.43Å; G72-E75 PolarHBondContact O-N 2.97Å; E75-L77 VanDerWaalsContact C-N 3.3Å; E75-L77 PolarHBondContact O-N 2.92Å; E75-T79 WeakPolarHBondContact CA-OG1 3.36Å; E75-T79 CarbonylContact O-C 3.6Å; E75-T79 WeakPolarHBondContact O-CA 3.45Å; E75-T79 PolarHBondContact O-N 3.06Å; E75-S80 VanDerWaalsContact O-CA 3.26Å; E75-S80 WeakPolarHBondContact O-CA 3.4Å; E75-S80 PolarHBondContact O-N 2.82Å; E75-I84 HydrophobicContact CG-CD1 4.16Å |
| 76 | S | 94.3 | Very high | 96.6 | Very high | 47 Ų | 47 | 57.8 Ų | 57.8 | 33% | 0.329 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57.3 | -41.7 | 177.2 | -172.7 | 0 | 0 | 0 | 0 | 112.5 | G72 E73 Y74 N110 | G72-S76 VanDerWaalsContact O-CB 3.32Å; G72-S76 WeakPolarHBondContact O-CB 3.24Å; G72-S76 PolarHBondContact O-N 2.97Å; E73-S76 PolarHBondContact O-N 2.91Å; Y74-S76 VanDerWaalsContact C-N 3.3Å; Y74-S76 PolarHBondContact O-N 3.32Å; S76-N110 PolarHBondContact OG-ND2 3.31Å |
| 77 | L | 95.5 | Very high | 96.4 | Very high | 115 Ų | 115 | 61.2 Ų | 61.2 | 60% | 0.602 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -86.7 | -39.8 | -175.8 | -68.3 | 175.5 | 0 | 0 | 0 | 114 | E73 Y74 E75 | E73-L77 HydrophobicContact CG-CD1 3.84Å; E73-L77 HydrophobicContact CG-CG 4.39Å; E73-L77 WeakPolarHBondContact O-CB 3.36Å; E73-L77 VanDerWaalsContact O-CG 3.31Å; E73-L77 WeakPolarHBondContact O-CG 3.37Å; E73-L77 PolarHBondContact O-N 3.28Å; Y74-L77 PolarHBondContact O-N 3.44Å; E75-L77 VanDerWaalsContact C-N 3.3Å; E75-L77 PolarHBondContact O-N 2.92Å |
| 78 | Y | 95.9 | Very high | 96.2 | Very high | 167 Ų | 167 | 68.8 Ų | 68.8 | 66% | 0.655 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -109.6 | -25.9 | -169 | -60.3 | -77.5 | 0 | 0 | 0 | 113.5 | Y74 | Y74-Y78 AromaticContact CD2-CD2 3.43Å; Y74-Y78 HydrophobicContact CD2-CD2 3.43Å; Y74-Y78 VanDerWaalsContact CD2-CD2 3.43Å; Y74-Y78 AromaticContact CD2-CE2 3.94Å; Y74-Y78 HydrophobicContact CD2-CE2 3.94Å; Y74-Y78 HydrophobicContact CD2-CG 4.3Å; Y74-Y78 AromaticContact CE2-CD2 3.6Å; Y74-Y78 HydrophobicContact CE2-CD2 3.6Å; Y74-Y78 HydrophobicContact CE2-CE2 4.22Å; Y74-Y78 HydrophobicContact CE2-CG 4.05Å; Y74-Y78 HydrophobicContact CG-CD2 4.13Å; Y74-Y78 WeakPolarHBondContact O-CD2 3.39Å; Y74-Y78 PolarHBondContact O-N 3.44Å |
| 79 | T | 94.5 | Very high | 96.1 | Very high | 31 Ų | 31 | 69 Ų | 69 | 19% | 0.19 | 34% | 0.339 | C | S | . | . | trans | -140.2 | 53.1 | -177.4 | 59.9 | 0 | 0 | 0 | 0 | 112.2 | E75 H81 I82 | E75-T79 WeakPolarHBondContact CA-OG1 3.36Å; E75-T79 CarbonylContact O-C 3.6Å; E75-T79 WeakPolarHBondContact O-CA 3.45Å; E75-T79 PolarHBondContact O-N 3.06Å; T79-H81 PolarHBondContact O-N 3.46Å; T79-I82 HydrophobicContact CG2-CD1 4.06Å; T79-I82 WeakPolarHBondContact O-CB 3.07Å; T79-I82 PolarHBondContact O-N 3.21Å | ||
| 80 | S | 93.3 | Very high | 95.8 | Very high | 80 Ų | 80 | 71 Ų | 71 | 56% | 0.559 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -14.3 | -168.2 | 61.1 | 0 | 0 | 0 | 0 | 116.1 | Q71 E75 | Q71-S80 PolarHBondContact NE2-O 2.71Å; E75-S80 VanDerWaalsContact O-CA 3.26Å; E75-S80 WeakPolarHBondContact O-CA 3.4Å; E75-S80 PolarHBondContact O-N 2.82Å |
| 81 | H | 94.1 | Very high | 95.7 | Very high | 150 Ų | 150 | 74.3 Ų | 74.3 | 69% | 0.694 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -14.7 | 174.6 | 60.6 | -80.5 | 0 | 0 | 0 | 113.4 | T79 | T79-H81 PolarHBondContact O-N 3.46Š|
| 82 | I | 96.4 | Very high | 95.5 | Very high | 75 Ų | 75 | 75.8 Ų | 75.8 | 39% | 0.385 | 39% | 0.386 | S | S | . | . | trans | -91.7 | 121.9 | -177.6 | -57.8 | -174.7 | 0 | 0 | 0 | 109.3 | Q71 T79 | Q71-I82 WeakPolarHBondContact CG-O 3.45Å; Q71-I82 PolarHBondContact NE2-O 2.82Å; T79-I82 HydrophobicContact CG2-CD1 4.06Å; T79-I82 WeakPolarHBondContact O-CB 3.07Å; T79-I82 PolarHBondContact O-N 3.21Å | ||
| 83 | W | 97.9 | Very high | 95.3 | Very high | 44 Ų | 44 | 81.6 Ų | 81.6 | 17% | 0.167 | 41% | 0.412 | C | S | . | . | trans | -117.7 | 142 | 172.9 | -72.5 | 76.2 | 0 | 0 | 0 | 109.2 | E69 Q71 N110 R112 | E69-W83 HydrophobicContact CB-CB 4.11Å; E69-W83 HydrophobicContact CB-CE3 4.05Å; E69-W83 WeakPolarHBondContact OE2-CB 3.01Å; Q71-W83 HydrophobicContact CG-CD2 3.6Å; Q71-W83 HydrophobicContact CG-CE3 3.69Å; Q71-W83 HydrophobicContact CG-CG 4.01Å; Q71-W83 HydrophobicContact CG-CH2 4.39Å; Q71-W83 HydrophobicContact CG-CZ2 4.31Å; Q71-W83 HydrophobicContact CG-CZ3 4.08Å; Q71-W83 VanDerWaalsContact OE1-CZ2 3.23Å; W83-N110 HydrophobicContact CH2-CB 3.87Å; W83-N110 HydrophobicContact CZ3-CB 4.23Å; W83-R112 VanDerWaalsContact CD1-NH1 3.35Å; W83-R112 HydrophobicContact CD2-CG 4.1Å; W83-R112 HydrophobicContact CE3-CB 4.34Å; W83-R112 VanDerWaalsContact CE3-CD 3.42Å; W83-R112 HydrophobicContact CE3-CG 3.46Å; W83-R112 VanDerWaalsContact CE3-CG 3.46Å; W83-R112 VanDerWaalsContact CG-NH2 3.26Å; W83-R112 HydrophobicContact CH2-CB 3.97Å; W83-R112 HydrophobicContact CH2-CG 3.93Å; W83-R112 HydrophobicContact CZ3-CB 3.74Å; W83-R112 HydrophobicContact CZ3-CG 3.38Å; W83-R112 VanDerWaalsContact NE1-NH1 3.19Å | ||
| 84 | I | 97.9 | Very high | 95.3 | Very high | 50 Ų | 50 | 78.7 Ų | 78.7 | 26% | 0.256 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 128.2 | -174.7 | -54.5 | 167.7 | 0 | 0 | 0 | 108 | E69 Y70 E75 | E69-I84 CarbonylContact C-O 3.52Å; E69-I84 WeakPolarHBondContact CA-O 3.39Å; E69-I84 WeakPolarHBondContact CB-O 3.37Å; Y70-I84 HydrophobicContact CD1-CB 4.21Å; Y70-I84 HydrophobicContact CD1-CG2 4.49Å; Y70-I84 WeakPolarHBondContact CD1-O 3.29Å; Y70-I84 HydrophobicContact CD2-CB 4.42Å; Y70-I84 HydrophobicContact CE1-CB 3.83Å; Y70-I84 HydrophobicContact CE1-CG2 3.67Å; Y70-I84 HydrophobicContact CE2-CB 4.06Å; Y70-I84 HydrophobicContact CE2-CD1 3.86Å; Y70-I84 HydrophobicContact CE2-CG2 4.32Å; Y70-I84 PolarHBondContact N-O 3.36Å; Y70-I84 PolarHBondContact O-N 3.48Å; Y70-I84 WeakPolarHBondContact OH-CG2 3.17Å; E75-I84 HydrophobicContact CG-CD1 4.16Å |
| 85 | P | 97.9 | Very high | 95.3 | Very high | 76 Ų | 76 | 74.2 Ų | 74.2 | 49% | 0.494 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 137.5 | 175.2 | 27.1 | -33.5 | 0 | 0 | 0 | 110.7 | ||
| 86 | S | 97.6 | Very high | 95.4 | Very high | 3 Ų | 3 | 76.9 Ų | 76.9 | 2% | 0.021 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 142.5 | 172.8 | 173.3 | 0 | 0 | 0 | 0 | 110.6 | V68 W88 D102 | V68-S86 WeakPolarHBondContact O-CB 3.21Å; V68-S86 PolarHBondContact O-N 2.77Å; S86-W88 PolarHBondContact O-N 2.72Å; S86-D102 WeakPolarHBondContact CA-OD2 3.39Å; S86-D102 VanDerWaalsContact CB-OD2 3.22Å; S86-D102 WeakPolarHBondContact CB-OD2 3.32Å; S86-D102 PolarHBondContact OG-OD2 2.9Å |
| 87 | S | 94.5 | Very high | 95.6 | Very high | 77 Ų | 77 | 74.8 Ų | 74.8 | 54% | 0.538 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | -33.5 | -177.5 | -56.6 | 0 | 0 | 0 | 0 | 113.2 | D102 | S87-D102 WeakPolarHBondContact CB-OD1 3.08Å; S87-D102 PolarHBondContact N-OD1 2.73Å; S87-D102 PolarHBondContact OG-OD1 2.81Å |
| 88 | W | 93.6 | Very high | 95.7 | Very high | 175 Ų | 175 | 71.7 Ų | 71.7 | 66% | 0.663 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.4 | -13.5 | -171.9 | -58.4 | 111.2 | 0 | 0 | 0 | 114.2 | S86 D101 | S86-W88 PolarHBondContact O-N 2.72Å; W88-D101 PolarHBondContact NE1-OD2 2.82Å |
| 89 | C | 96.7 | Very high | 95.8 | Very high | 6 Ų | 6 | 63.8 Ų | 63.8 | 4% | 0.041 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 54.3 | -166.3 | -55.2 | 0 | 0 | 0 | 0 | 112.6 | S67 V68 T92 C97 | S67-C89 WeakPolarHBondContact CA-O 3.44Å; V68-C89 HydrophobicContact CB-CB 3.89Å; V68-C89 HydrophobicContact CG2-CB 3.97Å; V68-C89 PolarHBondContact N-O 3.39Å; C89-T92 HydrophobicContact CB-CG2 4.35Å; C89-C97 HydrophobicContact CB-CB 3.81Å; C89-C97 WeakPolarHBondContact CB-SG 3.38Å; C89-C97 VanDerWaalsContact SG-CA 3.5Å; C89-C97 WeakPolarHBondContact SG-CB 3.44Å; C89-C97 CovalentContact SG-SG 2.01Å; C89-C97 PolarHBondContact SG-SG 2.91Å |
| 90 | S | 93.3 | Very high | 95.9 | Very high | 76 Ų | 76 | 64.1 Ų | 64.1 | 53% | 0.531 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 89.7 | 170.3 | -69.1 | 0 | 0 | 0 | 0 | 109.5 | ||
| 91 | L | 94.4 | Very high | 96 | Very high | 103 Ų | 103 | 64.8 Ų | 64.8 | 54% | 0.539 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 78 | 56.3 | -173.5 | -54.7 | 166 | 0 | 0 | 0 | 114 | Y66 T116 | Y66-L91 CarbonylContact O-C 3.56Å; Y66-L91 WeakPolarHBondContact O-CA 3.38Å; Y66-L91 PolarHBondContact O-N 3.37Å; L91-T116 HydrophobicContact CD2-CG2 4.31Å |
| 92 | T | 94.5 | Very high | 96.1 | Very high | 38 Ų | 38 | 57.8 Ų | 57.8 | 23% | 0.233 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 144.2 | 171 | -177.1 | 0 | 0 | 0 | 0 | 111.4 | Y65 Y66 C89 G94 | Y65-T92 CarbonylContact C-O 3.45Å; Y65-T92 VanDerWaalsContact CA-O 3.31Å; Y65-T92 WeakPolarHBondContact CA-O 3Å; Y66-T92 WeakPolarHBondContact CD2-O 3.38Å; Y66-T92 PolarHBondContact N-O 2.99Å; Y66-T92 PolarHBondContact O-N 2.88Å; C89-T92 HydrophobicContact CB-CG2 4.35Å; T92-G94 PolarHBondContact OG1-N 2.85Å |
| 93 | E | 92.5 | Very high | 96.2 | Very high | 125 Ų | 125 | 54.4 Ų | 54.4 | 58% | 0.584 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -82.5 | -30.3 | 177.2 | -175.7 | 175.7 | 168.3 | 0 | 0 | 112.3 | T63 Y65 | T63-E93 HydrophobicContact CG2-CG 3.69Å; Y65-E93 HydrophobicContact CD1-CB 4.31Å; Y65-E93 HydrophobicContact CE1-CB 4.2Å |
| 94 | G | 94 | Very high | 96.1 | Very high | 25 Ų | 25 | 57.2 Ų | 57.2 | 26% | 0.258 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -72.3 | 149.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | W54 Y66 T92 E96 | W54-G94 WeakPolarHBondContact CZ2-O 3.47Å; Y66-G94 WeakPolarHBondContact CD2-O 3.08Å; T92-G94 PolarHBondContact OG1-N 2.85Å; G94-E96 PolarHBondContact O-N 3.43Å |
| 95 | P | 96.6 | Very high | 96 | Very high | 52 Ų | 52 | 56.5 Ų | 56.5 | 34% | 0.338 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -78.1 | 29.6 | 175.4 | 36 | -36.9 | 0 | 0 | 0 | 113 | W54 P56 | W54-P95 VanDerWaalsContact CE2-C 3.44Å; W54-P95 PolarHBondContact N-O 2.85Å; P56-P95 HydrophobicContact CB-CB 4.16Å |
| 96 | E | 97.6 | Very high | 95.9 | Very high | 99 Ų | 99 | 55.2 Ų | 55.2 | 46% | 0.463 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 158.2 | -178 | 64.1 | -178.4 | -143 | 0 | 0 | 111.4 | L52 M53 W54 G94 | L52-E96 CarbonylContact O-C 3.45Å; L52-E96 WeakPolarHBondContact O-CA 3.32Å; M53-E96 HydrophobicContact CG-CB 4.22Å; W54-E96 VanDerWaalsContact CH2-C 3.46Å; G94-E96 PolarHBondContact O-N 3.43Å |
| 97 | C | 98.1 | Very high | 95.9 | Very high | 3 Ų | 3 | 56.7 Ų | 56.7 | 2% | 0.02 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 130.9 | 177 | 173.1 | 0 | 0 | 0 | 0 | 110.8 | L51 L52 W54 V68 C89 V99 | L51-C97 CarbonylContact C-O 3.59Å; L51-C97 WeakPolarHBondContact CA-O 3.31Å; L52-C97 HydrophobicContact CB-CB 4.5Å; L52-C97 PolarHBondContact N-O 2.98Å; L52-C97 PolarHBondContact O-N 2.88Å; W54-C97 HydrophobicContact CH2-CB 3.81Å; W54-C97 HydrophobicContact CZ3-CB 3.96Å; V68-C97 HydrophobicContact CG2-CB 3.78Å; C89-C97 HydrophobicContact CB-CB 3.81Å; C89-C97 WeakPolarHBondContact CB-SG 3.38Å; C89-C97 VanDerWaalsContact SG-CA 3.5Å; C89-C97 WeakPolarHBondContact SG-CB 3.44Å; C89-C97 CovalentContact SG-SG 2.01Å; C89-C97 PolarHBondContact SG-SG 2.91Å; C97-V99 HydrophobicContact CB-CG1 4.36Å; C97-V99 PolarHBondContact O-N 2.85Å; C97-V99 WeakPolarHBondContact SG-CG1 3.48Å |
| 98 | D | 97.8 | Very high | 96 | Very high | 51 Ų | 51 | 55.3 Ų | 55.3 | 27% | 0.273 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 105 | 167.9 | -163.7 | -24.3 | 0 | 0 | 0 | 109.8 | K49 L51 T100 | K49-D98 WeakPolarHBondContact CE-OD2 3.23Å; K49-D98 IonicContact NZ-OD2 3.82Å; L51-D98 HydrophobicContact CD2-CB 3.9Å; D98-T100 WeakPolarHBondContact OD1-CB 3.34Å; D98-T100 PolarHBondContact OD1-N 3.35Å; D98-T100 PolarHBondContact OD1-OG1 3.47Å |
| 99 | V | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -98.9 | 13.2 | 179.7 | -62.9 | 0 | 0 | 0 | 0 | 111.6 | H50 L52 V68 C97 D101 D102 I103 L111 | H50-V99 HydrophobicContact CB-CG2 3.92Å; H50-V99 WeakPolarHBondContact O-CG2 3.43Å; H50-V99 PolarHBondContact O-N 2.85Å; L52-V99 HydrophobicContact CB-CG1 4.27Å; V68-V99 HydrophobicContact CG1-CG1 4.14Å; C97-V99 HydrophobicContact CB-CG1 4.36Å; C97-V99 PolarHBondContact O-N 2.85Å; C97-V99 WeakPolarHBondContact SG-CG1 3.48Å; V99-D101 VanDerWaalsContact C-N 3.29Å; V99-D101 PolarHBondContact O-N 2.96Å; V99-D102 HydrophobicContact CB-CB 4.38Å; V99-D102 WeakPolarHBondContact O-CB 3.2Å; V99-D102 PolarHBondContact O-N 2.83Å; V99-I103 HydrophobicContact CG2-CG1 4.24Å; V99-I103 WeakPolarHBondContact O-CG1 3.37Å; V99-I103 PolarHBondContact O-N 2.81Å; V99-L111 HydrophobicContact CG2-CD1 4.37Å | ||
| 100 | T | 96.8 | Very high | 96.3 | Very high | 38 Ų | 38 | 48.7 Ų | 48.7 | 23% | 0.233 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -45.2 | -174.5 | -58.5 | 0 | 0 | 0 | 0 | 112.5 | M48 K49 H50 D98 D102 I103 | M48-T100 VanDerWaalsContact O-CG2 3.3Å; M48-T100 WeakPolarHBondContact O-CG2 3.39Å; K49-T100 WeakPolarHBondContact CA-OG1 3.41Å; H50-T100 PolarHBondContact N-OG1 2.93Å; D98-T100 WeakPolarHBondContact OD1-CB 3.34Å; D98-T100 PolarHBondContact OD1-N 3.35Å; D98-T100 PolarHBondContact OD1-OG1 3.47Å; T100-D102 VanDerWaalsContact C-N 3.28Å; T100-D102 PolarHBondContact O-N 3.49Å; T100-I103 PolarHBondContact O-N 3.04Å |
| 101 | D | 96 | Very high | 96.6 | Very high | 95 Ų | 95 | 45.1 Ų | 45.1 | 51% | 0.508 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -21.3 | -178.9 | -64.5 | -26.2 | 0 | 0 | 0 | 113.3 | W88 V99 T104 | W88-D101 PolarHBondContact NE1-OD2 2.82Å; V99-D101 VanDerWaalsContact C-N 3.29Å; V99-D101 PolarHBondContact O-N 2.96Å; D101-T104 WeakPolarHBondContact O-CG2 3.42Å |
| 102 | D | 97.1 | Very high | 96.8 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.011 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -27.7 | 178.2 | -56.5 | -39.4 | 0 | 0 | 0 | 111.2 | Y70 S86 S87 V99 T100 T104 | Y70-D102 HydrophobicContact CD1-CB 3.76Å; Y70-D102 HydrophobicContact CE1-CB 3.58Å; Y70-D102 HydrophobicContact CE2-CB 4.5Å; Y70-D102 HydrophobicContact CG-CB 4.28Å; S86-D102 WeakPolarHBondContact CA-OD2 3.39Å; S86-D102 VanDerWaalsContact CB-OD2 3.22Å; S86-D102 WeakPolarHBondContact CB-OD2 3.32Å; S86-D102 PolarHBondContact OG-OD2 2.9Å; S87-D102 WeakPolarHBondContact CB-OD1 3.08Å; S87-D102 PolarHBondContact N-OD1 2.73Å; S87-D102 PolarHBondContact OG-OD1 2.81Å; V99-D102 HydrophobicContact CB-CB 4.38Å; V99-D102 WeakPolarHBondContact O-CB 3.2Å; V99-D102 PolarHBondContact O-N 2.83Å; T100-D102 VanDerWaalsContact C-N 3.28Å; T100-D102 PolarHBondContact O-N 3.49Å; D102-T104 PolarHBondContact O-N 2.81Å |
| 103 | I | 97 | Very high | 97 | Very high | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | trans | -91.6 | 76.3 | -178.2 | -49.4 | -59.1 | 0 | 0 | 0 | 111.4 | V99 T100 Y109 F131 R133 | V99-I103 HydrophobicContact CG2-CG1 4.24Å; V99-I103 WeakPolarHBondContact O-CG1 3.37Å; V99-I103 PolarHBondContact O-N 2.81Å; T100-I103 PolarHBondContact O-N 3.04Å; I103-Y109 HydrophobicContact CD1-CD1 3.53Å; I103-Y109 HydrophobicContact CD1-CD2 3.88Å; I103-Y109 HydrophobicContact CD1-CE1 4.04Å; I103-Y109 HydrophobicContact CD1-CE2 4.37Å; I103-Y109 HydrophobicContact CD1-CG 3.45Å; I103-Y109 VanDerWaalsContact CD1-CG 3.45Å; I103-Y109 HydrophobicContact CG2-CD2 3.91Å; I103-Y109 HydrophobicContact CG2-CE2 3.8Å; I103-F131 HydrophobicContact CD1-CD1 4.42Å; I103-F131 HydrophobicContact CG1-CD1 4.39Å; I103-F131 HydrophobicContact CG1-CE1 4.36Å; I103-F131 HydrophobicContact CG2-CE1 4.35Å; I103-R133 HydrophobicContact CG2-CB 4.09Å; I103-R133 PolarHBondContact O-NH1 2.84Å | ||
| 104 | T | 95.3 | Very high | 97.2 | Very high | 103 Ų | 103 | 38 Ų | 38 | 63% | 0.632 | 22% | 0.215 | S | C | * | . | trans | -84.5 | -20.8 | -172.6 | 57 | 0 | 0 | 0 | 0 | 114.9 | D101 D102 Y109 R133 | D101-T104 WeakPolarHBondContact O-CG2 3.42Å; D102-T104 PolarHBondContact O-N 2.81Å; T104-Y109 PolarHBondContact N-OH 2.99Å; T104-Y109 PolarHBondContact OG1-OH 2.71Å; T104-R133 VanDerWaalsContact C-NH1 3.28Å; T104-R133 PolarHBondContact O-NH1 2.86Å; T104-R133 PolarHBondContact O-NH2 2.88Å | ||
| 105 | A | 95.9 | Very high | 97.4 | Very high | 36 Ų | 36 | 36.8 Ų | 36.8 | 30% | 0.298 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -122.4 | 158.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | V107 Y109 R133 | A105-V107 HydrophobicContact CB-CG1 4.48Å; A105-V107 HydrophobicContact CB-CG2 3.99Å; A105-V107 PolarHBondContact O-N 2.91Å; A105-Y109 PolarHBondContact N-OH 3.37Å; A105-R133 VanDerWaalsContact C-CZ 3.47Å; A105-R133 PolarHBondContact O-NE 2.92Å |
| 106 | T | 96.9 | Very high | 97.4 | Very high | 48 Ų | 48 | 35.2 Ų | 35.2 | 29% | 0.294 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -86.1 | 55.8 | 177.7 | -48 | 0 | 0 | 0 | 0 | 110.9 | R133 N134 A211 I212 | T106-R133 HydrophobicContact CG2-CG 4.33Å; T106-R133 VanDerWaalsContact OG1-CZ 3.32Å; T106-R133 PolarHBondContact OG1-NE 3.31Å; T106-R133 PolarHBondContact OG1-NH2 2.84Å; T106-N134 HydrophobicContact CG2-CB 3.93Å; T106-A211 PolarHBondContact OG1-O 3.01Å; T106-I212 HydrophobicContact CG2-CG2 3.9Å |
| 107 | V | 97 | Very high | 97.3 | Very high | 35 Ų | 35 | 31.6 Ų | 31.6 | 21% | 0.212 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -128.2 | 166.1 | -179.8 | -60 | 0 | 0 | 0 | 0 | 109.9 | E73 A105 Y109 | E73-V107 HydrophobicContact CB-CB 3.81Å; E73-V107 HydrophobicContact CB-CG1 4.47Å; E73-V107 HydrophobicContact CB-CG2 3.84Å; E73-V107 WeakPolarHBondContact OE2-CG1 3.45Å; A105-V107 HydrophobicContact CB-CG1 4.48Å; A105-V107 HydrophobicContact CB-CG2 3.99Å; A105-V107 PolarHBondContact O-N 2.91Å; V107-Y109 HydrophobicContact CG2-CD2 4.17Å; V107-Y109 HydrophobicContact CG2-CE2 3.63Å; V107-Y109 VanDerWaalsContact O-CD2 3.29Å; V107-Y109 WeakPolarHBondContact O-CD2 3.49Å |
| 108 | P | 97.7 | Very high | 96.9 | Very high | 48 Ų | 48 | 34.9 Ų | 34.9 | 31% | 0.312 | 21% | 0.211 | S | C | . | . | trans | -69 | 136.4 | 173.2 | -16.3 | 31 | 0 | 0 | 0 | 112.1 | E73 P130 F131 | E73-P108 PolarHBondContact N-O 3.07Å; P108-P130 HydrophobicContact CB-CB 3.8Å; P108-F131 CarbonylContact C-O 3.53Å; P108-F131 WeakPolarHBondContact CA-O 3.49Å | ||
| 109 | Y | 98.4 | Very high | 96.6 | Very high | 11 Ų | 11 | 38.3 Ų | 38.3 | 4% | 0.043 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -117.6 | 132.9 | 175.6 | -78.5 | -105 | 0 | 0 | 0 | 110.9 | Y70 Q71 I103 T104 A105 V107 P130 F131 | Y70-Y109 AromaticContact CD2-CD1 3.91Å; Y70-Y109 HydrophobicContact CD2-CD1 3.91Å; Y70-Y109 AromaticContact CD2-CE1 3.95Å; Y70-Y109 HydrophobicContact CD2-CE1 3.95Å; Y70-Y109 HydrophobicContact CE2-CE1 4.21Å; Q71-Y109 CarbonylContact O-C 3.6Å; Q71-Y109 VanDerWaalsContact O-CA 3.23Å; Q71-Y109 WeakPolarHBondContact O-CA 3.43Å; I103-Y109 HydrophobicContact CD1-CD1 3.53Å; I103-Y109 HydrophobicContact CD1-CD2 3.88Å; I103-Y109 HydrophobicContact CD1-CE1 4.04Å; I103-Y109 HydrophobicContact CD1-CE2 4.37Å; I103-Y109 HydrophobicContact CD1-CG 3.45Å; I103-Y109 VanDerWaalsContact CD1-CG 3.45Å; I103-Y109 HydrophobicContact CG2-CD2 3.91Å; I103-Y109 HydrophobicContact CG2-CE2 3.8Å; T104-Y109 PolarHBondContact N-OH 2.99Å; T104-Y109 PolarHBondContact OG1-OH 2.71Å; A105-Y109 PolarHBondContact N-OH 3.37Å; V107-Y109 HydrophobicContact CG2-CD2 4.17Å; V107-Y109 HydrophobicContact CG2-CE2 3.63Å; V107-Y109 VanDerWaalsContact O-CD2 3.29Å; V107-Y109 WeakPolarHBondContact O-CD2 3.49Å; Y109-P130 CarbonylContact O-C 3.57Å; Y109-P130 VanDerWaalsContact O-CA 3.26Å; Y109-P130 WeakPolarHBondContact O-CA 3.32Å; Y109-F131 PolarHBondContact N-O 2.85Å; Y109-F131 PolarHBondContact O-N 3.31Å |
| 110 | N | 98.3 | Very high | 96.3 | Very high | 31 Ų | 31 | 41.7 Ų | 41.7 | 17% | 0.166 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 137.9 | 165.3 | -56.9 | -37.9 | 0 | 0 | 0 | 108.6 | Y70 Q71 S76 W83 P130 | Y70-N110 CarbonylContact C-O 3.52Å; Y70-N110 VanDerWaalsContact CA-O 3.26Å; Y70-N110 WeakPolarHBondContact CA-O 2.98Å; Q71-N110 HydrophobicContact CB-CB 4.26Å; Q71-N110 PolarHBondContact N-O 3Å; Q71-N110 PolarHBondContact O-N 3.36Å; S76-N110 PolarHBondContact OG-ND2 3.31Å; W83-N110 HydrophobicContact CH2-CB 3.87Å; W83-N110 HydrophobicContact CZ3-CB 4.23Å; N110-P130 WeakPolarHBondContact OD1-CG 3.1Å |
| 111 | L | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 139.9 | 177.6 | -65.3 | 172.4 | 0 | 0 | 0 | 109 | V43 L52 V99 L127 F131 | V43-L111 HydrophobicContact CG2-CD1 3.81Å; L52-L111 HydrophobicContact CD1-CB 4.28Å; L52-L111 HydrophobicContact CD1-CD1 4.01Å; L52-L111 HydrophobicContact CD2-CB 4.15Å; L52-L111 HydrophobicContact CD2-CD1 4.43Å; V99-L111 HydrophobicContact CG2-CD1 4.37Å; L111-L127 HydrophobicContact CB-CB 4.17Å; L111-L127 HydrophobicContact CB-CD2 4.4Å; L111-L127 HydrophobicContact CD1-CD2 4.2Å; L111-L127 PolarHBondContact O-N 2.97Å; L111-F131 HydrophobicContact CD1-CB 4.45Å |
| 112 | R | 98.3 | Very high | 96.3 | Very high | 43 Ų | 43 | 39.1 Ų | 39.1 | 16% | 0.162 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 150.3 | 173.2 | 71.2 | 179 | -173.8 | -174.7 | 2.3 | 112 | V68 E69 W83 W124 S125 I126 | V68-R112 WeakPolarHBondContact CA-O 3.32Å; E69-R112 HydrophobicContact CB-CG 3.93Å; E69-R112 PolarHBondContact N-O 2.03Å; E69-R112 PolarHBondContact O-N 3.27Å; E69-R112 IonicContact OE2-CZ 2.7Å; E69-R112 IonicContact OE2-NE 3.54Å; E69-R112 PolarHBondContact OE2-NE 2.97Å; E69-R112 IonicContact OE2-NH2 2.8Å; E69-R112 PolarHBondContact OE2-NH2 3.34Å; W83-R112 VanDerWaalsContact CD1-NH1 3.35Å; W83-R112 HydrophobicContact CD2-CG 4.1Å; W83-R112 HydrophobicContact CE3-CB 4.34Å; W83-R112 VanDerWaalsContact CE3-CD 3.42Å; W83-R112 HydrophobicContact CE3-CG 3.46Å; W83-R112 VanDerWaalsContact CE3-CG 3.46Å; W83-R112 VanDerWaalsContact CG-NH2 3.26Å; W83-R112 HydrophobicContact CH2-CB 3.97Å; W83-R112 HydrophobicContact CH2-CG 3.93Å; W83-R112 HydrophobicContact CZ3-CB 3.74Å; W83-R112 HydrophobicContact CZ3-CG 3.38Å; W83-R112 VanDerWaalsContact NE1-NH1 3.19Å; R112-W124 HydrophobicContact CB-CE3 3.92Å; R112-W124 HydrophobicContact CB-CZ3 4.49Å; R112-W124 HydrophobicContact CG-CD2 3.97Å; R112-W124 HydrophobicContact CG-CE3 3.4Å; R112-W124 HydrophobicContact CG-CH2 4.48Å; R112-W124 HydrophobicContact CG-CZ3 3.69Å; R112-S125 CarbonylContact C-O 3.53Å; R112-S125 WeakPolarHBondContact CA-O 3.38Å; R112-S125 WeakPolarHBondContact CB-O 3.42Å; R112-I126 HydrophobicContact CB-CG1 4.01Å |
| 113 | V | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 145.5 | 177.4 | 67.5 | 0 | 0 | 0 | 0 | 110.2 | P38 L41 W54 Y66 S67 V68 W124 S125 | P38-V113 HydrophobicContact CB-CG1 3.79Å; P38-V113 HydrophobicContact CG-CG1 3.97Å; P38-V113 HydrophobicContact CG-CG2 4.45Å; L41-V113 HydrophobicContact CD1-CG1 3.95Å; L41-V113 HydrophobicContact CD2-CG1 3.97Å; L41-V113 HydrophobicContact CG-CG1 4.04Å; W54-V113 HydrophobicContact CD2-CB 4.47Å; W54-V113 HydrophobicContact CD2-CG1 4.09Å; W54-V113 HydrophobicContact CD2-CG2 4Å; W54-V113 HydrophobicContact CE3-CB 4.3Å; W54-V113 HydrophobicContact CE3-CG1 4.15Å; W54-V113 HydrophobicContact CE3-CG2 4.1Å; W54-V113 HydrophobicContact CG-CG1 4.27Å; W54-V113 HydrophobicContact CH2-CG2 3.93Å; W54-V113 HydrophobicContact CZ2-CG2 3.82Å; W54-V113 HydrophobicContact CZ3-CB 4.46Å; W54-V113 HydrophobicContact CZ3-CG2 4.07Å; Y66-V113 HydrophobicContact CD1-CG2 4.28Å; S67-V113 WeakPolarHBondContact O-CA 3.23Å; V68-V113 HydrophobicContact CG2-CB 4.22Å; V68-V113 HydrophobicContact CG2-CG2 3.9Å; V113-W124 VanDerWaalsContact C-CE3 3.42Å; V113-S125 PolarHBondContact N-O 2.73Å; V113-S125 PolarHBondContact O-N 2.95Å |
| 114 | R | 97.9 | Very high | 96.3 | Very high | 73 Ų | 73 | 45.3 Ų | 45.3 | 28% | 0.275 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 153.9 | 169.2 | 68.5 | 176.2 | 178.4 | -175.5 | -3.4 | 110.5 | Y66 S67 W124 | Y66-R114 VanDerWaalsContact CA-O 3.28Å; Y66-R114 WeakPolarHBondContact CA-O 3.44Å; S67-R114 PolarHBondContact N-O 3.01Å; S67-R114 PolarHBondContact O-N 3.43Å; S67-R114 VanDerWaalsContact O-N 3.11Å; R114-W124 HydrophobicContact CB-CD2 3.96Å; R114-W124 HydrophobicContact CB-CE3 3.67Å; R114-W124 HydrophobicContact CB-CH2 4.43Å; R114-W124 HydrophobicContact CB-CZ3 3.93Å; R114-W124 HydrophobicContact CG-CD2 4.19Å; R114-W124 HydrophobicContact CG-CE3 3.89Å; R114-W124 HydrophobicContact CG-CH2 3.72Å; R114-W124 HydrophobicContact CG-CZ2 4.01Å; R114-W124 HydrophobicContact CG-CZ3 3.66Å |
| 115 | A | 97.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 148 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | L35 P38 V57 V64 Y65 Y66 T121 S122 | L35-A115 HydrophobicContact CD2-CB 3.69Å; L35-A115 HydrophobicContact CG-CB 4.22Å; P38-A115 HydrophobicContact CG-CB 4.25Å; V57-A115 HydrophobicContact CB-CB 4.43Å; V57-A115 HydrophobicContact CG2-CB 4.2Å; V64-A115 HydrophobicContact CG1-CB 3.69Å; Y65-A115 CarbonylContact O-C 3.5Å; Y65-A115 WeakPolarHBondContact O-CA 3.29Å; Y66-A115 HydrophobicContact CD1-CB 4.09Å; Y66-A115 HydrophobicContact CE1-CB 3.92Å; A115-T121 WeakPolarHBondContact O-CA 3.4Å; A115-S122 PolarHBondContact N-OG 3.25Å; A115-S122 PolarHBondContact O-N 3.23Å |
| 116 | T | 96.6 | Very high | 96.6 | Very high | 19 Ų | 19 | 44.2 Ų | 44.2 | 12% | 0.117 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 130.3 | 176.2 | -51.5 | 0 | 0 | 0 | 0 | 108.9 | Y65 L91 Q120 T121 | Y65-T116 PolarHBondContact N-O 2.94Å; Y65-T116 PolarHBondContact O-N 3.41Å; L91-T116 HydrophobicContact CD2-CG2 4.31Å; T116-Q120 WeakPolarHBondContact CA-O 3.09Å; T116-T121 HydrophobicContact CG2-CG2 3.93Å |
| 117 | L | 95.2 | Very high | 96.6 | Very high | 24 Ų | 24 | 42.7 Ų | 42.7 | 13% | 0.126 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 105.4 | 173.8 | 178.5 | 63.7 | 0 | 0 | 0 | 109 | L35 V59 E62 T63 S119 Q120 | L35-L117 HydrophobicContact CD1-CB 4.08Å; L35-L117 HydrophobicContact CD1-CD2 4.28Å; L35-L117 HydrophobicContact CD2-CB 3.96Å; V59-L117 HydrophobicContact CB-CD2 4.14Å; V59-L117 HydrophobicContact CG1-CD2 3.91Å; V59-L117 HydrophobicContact CG2-CD2 4.06Å; E62-L117 HydrophobicContact CB-CD1 3.8Å; E62-L117 HydrophobicContact CB-CD2 4.13Å; E62-L117 HydrophobicContact CG-CD1 4.4Å; E62-L117 HydrophobicContact CG-CD2 4.36Å; T63-L117 VanDerWaalsContact O-CD1 3.31Å; T63-L117 WeakPolarHBondContact O-CD1 3.37Å; L117-S119 PolarHBondContact O-N 3.05Å; L117-Q120 PolarHBondContact N-O 2.88Å; L117-Q120 WeakPolarHBondContact O-CB 3.46Å; L117-Q120 PolarHBondContact O-N 2.89Å |
| 118 | G | 90.2 | Very high | 96.6 | Very high | 72 Ų | 72 | 49.5 Ų | 49.5 | 74% | 0.742 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | -119.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 119 | S | 90.3 | Very high | 96.5 | Very high | 122 Ų | 122 | 53.6 Ų | 53.6 | 85% | 0.853 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -10.4 | 175.2 | 56.7 | 0 | 0 | 0 | 0 | 114 | L117 | L117-S119 PolarHBondContact O-N 3.05Š|
| 120 | Q | 92.7 | Very high | 96.5 | Very high | 71 Ų | 71 | 56.3 Ų | 56.3 | 33% | 0.332 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 136.2 | -177 | -56.6 | -166.3 | 76.3 | 0 | 0 | 110.6 | A33 T116 L117 | A33-Q120 PolarHBondContact O-OE1 3.21Å; T116-Q120 WeakPolarHBondContact CA-O 3.09Å; L117-Q120 PolarHBondContact N-O 2.88Å; L117-Q120 WeakPolarHBondContact O-CB 3.46Å; L117-Q120 PolarHBondContact O-N 2.89Å |
| 121 | T | 95.4 | Very high | 96.5 | Very high | 72 Ų | 72 | 55.5 Ų | 55.5 | 44% | 0.442 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 141.6 | 174.4 | 50.9 | 0 | 0 | 0 | 0 | 109.9 | A115 T116 | A115-T121 WeakPolarHBondContact O-CA 3.4Å; T116-T121 HydrophobicContact CG2-CG2 3.93Å |
| 122 | S | 96.9 | Very high | 96.5 | Very high | 8 Ų | 8 | 57.3 Ų | 57.3 | 6% | 0.056 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -76.2 | 167.3 | 173.6 | 76.6 | 0 | 0 | 0 | 0 | 111.2 | L35 P36 A115 | L35-S122 WeakPolarHBondContact O-CA 3.17Å; L35-S122 WeakPolarHBondContact O-CB 3.33Å; P36-S122 WeakPolarHBondContact O-CB 3.48Å; A115-S122 PolarHBondContact N-OG 3.25Å; A115-S122 PolarHBondContact O-N 3.23Å |
| 123 | A | 97.1 | Very high | 96.4 | Very high | 70 Ų | 70 | 56.6 Ų | 56.6 | 58% | 0.579 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -59 | 158.2 | 159.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | A37 | A37-A123 HydrophobicContact CB-CB 4.27Å; A37-A123 WeakPolarHBondContact CB-O 3.38Å |
| 124 | W | 98 | Very high | 96.4 | Very high | 66 Ų | 66 | 60.1 Ų | 60.1 | 25% | 0.25 | 34% | 0.337 | C | S | . | . | P | Polyproline II helix | trans | -75 | 131.8 | 173.4 | -73 | 106.4 | 0 | 0 | 0 | 110.8 | S67 E69 R112 V113 R114 | S67-W124 WeakPolarHBondContact O-CZ3 3.21Å; E69-W124 HydrophobicContact CB-CH2 4.29Å; E69-W124 HydrophobicContact CB-CZ3 4.48Å; E69-W124 HydrophobicContact CG-CH2 3.67Å; E69-W124 HydrophobicContact CG-CZ2 4.33Å; E69-W124 HydrophobicContact CG-CZ3 4.3Å; E69-W124 WeakPolarHBondContact OE1-CZ2 3.39Å; R112-W124 HydrophobicContact CB-CE3 3.92Å; R112-W124 HydrophobicContact CB-CZ3 4.49Å; R112-W124 HydrophobicContact CG-CD2 3.97Å; R112-W124 HydrophobicContact CG-CE3 3.4Å; R112-W124 HydrophobicContact CG-CH2 4.48Å; R112-W124 HydrophobicContact CG-CZ3 3.69Å; V113-W124 VanDerWaalsContact C-CE3 3.42Å; R114-W124 HydrophobicContact CB-CD2 3.96Å; R114-W124 HydrophobicContact CB-CE3 3.67Å; R114-W124 HydrophobicContact CB-CH2 4.43Å; R114-W124 HydrophobicContact CB-CZ3 3.93Å; R114-W124 HydrophobicContact CG-CD2 4.19Å; R114-W124 HydrophobicContact CG-CE3 3.89Å; R114-W124 HydrophobicContact CG-CH2 3.72Å; R114-W124 HydrophobicContact CG-CZ2 4.01Å; R114-W124 HydrophobicContact CG-CZ3 3.66Å |
| 125 | S | 98.3 | Very high | 96.3 | Very high | 15 Ų | 15 | 60.4 Ų | 60.4 | 11% | 0.105 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 128.4 | 167 | -68.3 | 0 | 0 | 0 | 0 | 109.4 | A37 P38 L41 R112 V113 | A37-S125 WeakPolarHBondContact CB-OG 3.37Å; P38-S125 WeakPolarHBondContact O-CB 3.41Å; P38-S125 PolarHBondContact O-OG 2.99Å; L41-S125 WeakPolarHBondContact CD2-O 3.26Å; R112-S125 CarbonylContact C-O 3.53Å; R112-S125 WeakPolarHBondContact CA-O 3.38Å; R112-S125 WeakPolarHBondContact CB-O 3.42Å; V113-S125 PolarHBondContact N-O 2.73Å; V113-S125 PolarHBondContact O-N 2.95Å |
| 126 | I | 98.1 | Very high | 96.3 | Very high | 100 Ų | 100 | 60.5 Ų | 60.5 | 51% | 0.513 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 137.6 | -175.2 | -58.6 | 168.9 | 0 | 0 | 0 | 108.9 | R112 K128 | R112-I126 HydrophobicContact CB-CG1 4.01Å; I126-K128 PolarHBondContact O-N 2.87Å |
| 127 | L | 98.2 | Very high | 96.4 | Very high | 16 Ų | 16 | 64.3 Ų | 64.3 | 8% | 0.084 | 37% | 0.37 | C | S | . | . | trans | -60.6 | 124.9 | 173.9 | -176.6 | 69.6 | 0 | 0 | 0 | 109.5 | L41 V43 L111 H129 F131 | L41-L127 HydrophobicContact CB-CD1 3.87Å; L41-L127 HydrophobicContact CD2-CB 4.35Å; L41-L127 WeakPolarHBondContact O-CD1 3.24Å; V43-L127 HydrophobicContact CG2-CD1 4.44Å; V43-L127 HydrophobicContact CG2-CD2 3.73Å; L111-L127 HydrophobicContact CB-CB 4.17Å; L111-L127 HydrophobicContact CB-CD2 4.4Å; L111-L127 HydrophobicContact CD1-CD2 4.2Å; L111-L127 PolarHBondContact O-N 2.97Å; L127-H129 VanDerWaalsContact C-N 3.31Å; L127-H129 WeakPolarHBondContact CD2-O 3.48Å; L127-H129 VanDerWaalsContact CG-O 3.31Å; L127-H129 WeakPolarHBondContact CG-O 3.32Å; L127-H129 PolarHBondContact O-N 3.27Å; L127-F131 HydrophobicContact CD2-CB 4.04Å | ||
| 128 | K | 96.5 | Very high | 96.5 | Very high | 179 Ų | 179 | 64.1 Ų | 64.1 | 78% | 0.778 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -60.7 | -38.6 | -171.5 | -175.2 | 178.1 | 179.2 | -179.1 | 0 | 113.7 | I126 | I126-K128 PolarHBondContact O-N 2.87Š|
| 129 | H | 96.4 | Very high | 96.8 | Very high | 134 Ų | 134 | 63.1 Ų | 63.1 | 62% | 0.62 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -119.5 | 125.5 | 178.9 | -64.2 | -59.5 | 0 | 0 | 0 | 108.6 | L127 F131 | L127-H129 VanDerWaalsContact C-N 3.31Å; L127-H129 WeakPolarHBondContact CD2-O 3.48Å; L127-H129 VanDerWaalsContact CG-O 3.31Å; L127-H129 WeakPolarHBondContact CG-O 3.32Å; L127-H129 PolarHBondContact O-N 3.27Å; H129-F131 PolarHBondContact O-N 2.95Å |
| 130 | P | 97.4 | Very high | 97.1 | Very high | 67 Ų | 67 | 60 Ų | 60 | 44% | 0.435 | 33% | 0.325 | S | S | . | . | trans | -54.9 | 137.1 | 177.2 | -25.9 | 34.6 | 0 | 0 | 0 | 111.5 | P108 Y109 N110 | P108-P130 HydrophobicContact CB-CB 3.8Å; Y109-P130 CarbonylContact O-C 3.57Å; Y109-P130 VanDerWaalsContact O-CA 3.26Å; Y109-P130 WeakPolarHBondContact O-CA 3.32Å; N110-P130 WeakPolarHBondContact OD1-CG 3.1Å | ||
| 131 | F | 98.4 | Very high | 97.3 | Very high | 14 Ų | 14 | 56.9 Ų | 56.9 | 6% | 0.061 | 31% | 0.311 | C | S | . | . | B | Isolated β-bridge | trans | -87.8 | 133.6 | -178.3 | 173.8 | -109.3 | 0 | 0 | 0 | 110.6 | V43 H50 I103 P108 Y109 L111 L127 H129 R133 | V43-F131 HydrophobicContact CB-CD2 3.85Å; V43-F131 HydrophobicContact CB-CE2 4.23Å; V43-F131 HydrophobicContact CB-CG 4.22Å; V43-F131 HydrophobicContact CG1-CD1 4.2Å; V43-F131 HydrophobicContact CG1-CD2 3.63Å; V43-F131 HydrophobicContact CG1-CE1 4.15Å; V43-F131 HydrophobicContact CG1-CE2 3.59Å; V43-F131 HydrophobicContact CG1-CG 3.94Å; V43-F131 HydrophobicContact CG1-CZ 3.86Å; V43-F131 HydrophobicContact CG2-CB 4.16Å; V43-F131 HydrophobicContact CG2-CD2 4.26Å; V43-F131 HydrophobicContact CG2-CG 4.16Å; H50-F131 HydrophobicContact CB-CE1 4.16Å; H50-F131 HydrophobicContact CB-CZ 4.42Å; H50-F131 AromaticContact CE1-CZ 3.88Å; H50-F131 AromaticContact CG-CE1 3.74Å; H50-F131 AromaticContact CG-CZ 3.91Å; H50-F131 AromaticContact ND1-CE1 3.79Å; H50-F131 AromaticContact ND1-CZ 3.5Å; I103-F131 HydrophobicContact CD1-CD1 4.42Å; I103-F131 HydrophobicContact CG1-CD1 4.39Å; I103-F131 HydrophobicContact CG1-CE1 4.36Å; I103-F131 HydrophobicContact CG2-CE1 4.35Å; P108-F131 CarbonylContact C-O 3.53Å; P108-F131 WeakPolarHBondContact CA-O 3.49Å; Y109-F131 PolarHBondContact N-O 2.85Å; Y109-F131 PolarHBondContact O-N 3.31Å; L111-F131 HydrophobicContact CD1-CB 4.45Å; L127-F131 HydrophobicContact CD2-CB 4.04Å; H129-F131 PolarHBondContact O-N 2.95Å; F131-R133 HydrophobicContact CE1-CB 4.43Å |
| 132 | N | 98 | Very high | 97.4 | Very high | 39 Ų | 39 | 55.1 Ų | 55.1 | 21% | 0.209 | 31% | 0.307 | C | S | . | . | trans | -124.9 | 126.2 | 170.7 | -174.5 | -35.7 | 0 | 0 | 0 | 108.5 | N134 S135 | N132-N134 PolarHBondContact O-N 3.42Å; N132-N134 VanDerWaalsContact OD1-CB 3.29Å; N132-N134 WeakPolarHBondContact OD1-CB 3.49Å; N132-N134 PolarHBondContact OD1-N 3.04Å; N132-S135 PolarHBondContact O-N 3.21Å; N132-S135 PolarHBondContact O-OG 3.47Å | ||
| 133 | R | 97.4 | Very high | 97.3 | Very high | 27 Ų | 27 | 56 Ų | 56 | 10% | 0.102 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -55.9 | -19.1 | -179.7 | 70.8 | -173.9 | -169.3 | -173.8 | -8.6 | 114.3 | M48 H50 I103 T104 A105 T106 F131 S135 T136 I212 | M48-R133 HydrophobicContact CE-CB 4.14Å; M48-R133 HydrophobicContact CE-CG 4.09Å; H50-R133 WeakPolarHBondContact NE2-CB 3.42Å; I103-R133 HydrophobicContact CG2-CB 4.09Å; I103-R133 PolarHBondContact O-NH1 2.84Å; T104-R133 VanDerWaalsContact C-NH1 3.28Å; T104-R133 PolarHBondContact O-NH1 2.86Å; T104-R133 PolarHBondContact O-NH2 2.88Å; A105-R133 VanDerWaalsContact C-CZ 3.47Å; A105-R133 PolarHBondContact O-NE 2.92Å; T106-R133 HydrophobicContact CG2-CG 4.33Å; T106-R133 VanDerWaalsContact OG1-CZ 3.32Å; T106-R133 PolarHBondContact OG1-NE 3.31Å; T106-R133 PolarHBondContact OG1-NH2 2.84Å; F131-R133 HydrophobicContact CE1-CB 4.43Å; R133-S135 PolarHBondContact O-N 3.46Å; R133-S135 VanDerWaalsContact O-N 3.16Å; R133-T136 WeakPolarHBondContact O-CB 3.48Å; R133-T136 WeakPolarHBondContact O-CG2 3.4Å; R133-T136 PolarHBondContact O-N 2.87Å; R133-I212 HydrophobicContact CG-CG2 4.01Å |
| 134 | N | 97.1 | Very high | 97.3 | Very high | 74 Ų | 74 | 58.3 Ų | 58.3 | 40% | 0.396 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -57.5 | -24 | 171.1 | -167.7 | 28 | 0 | 0 | 0 | 113.2 | T106 N132 T136 I212 R214 | T106-N134 HydrophobicContact CG2-CB 3.93Å; N132-N134 PolarHBondContact O-N 3.42Å; N132-N134 VanDerWaalsContact OD1-CB 3.29Å; N132-N134 WeakPolarHBondContact OD1-CB 3.49Å; N132-N134 PolarHBondContact OD1-N 3.04Å; N134-T136 VanDerWaalsContact C-N 3.3Å; N134-T136 PolarHBondContact O-N 3.35Å; N134-I212 HydrophobicContact CB-CG2 4.48Å; N134-R214 PolarHBondContact O-NH1 3.49Å; N134-R214 WeakPolarHBondContact OD1-CD 3.37Å |
| 135 | S | 96.4 | Very high | 97.2 | Very high | 80 Ų | 80 | 56.2 Ų | 56.2 | 56% | 0.559 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -86 | 7.5 | 176.3 | 73.1 | 0 | 0 | 0 | 0 | 114.1 | N132 R133 | N132-S135 PolarHBondContact O-N 3.21Å; N132-S135 PolarHBondContact O-OG 3.47Å; R133-S135 PolarHBondContact O-N 3.46Å; R133-S135 VanDerWaalsContact O-N 3.16Å |
| 136 | T | 97.7 | Very high | 97 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | trans | -58.5 | 147.1 | 178 | -166.6 | 0 | 0 | 0 | 0 | 111.6 | S45 M48 R133 N134 L138 I212 R214 | S45-T136 PolarHBondContact O-OG1 2.9Å; S45-T136 WeakPolarHBondContact OG-CA 3.37Å; S45-T136 WeakPolarHBondContact OG-CB 3.26Å; S45-T136 PolarHBondContact OG-OG1 3.2Å; M48-T136 PolarHBondContact N-OG1 2.81Å; M48-T136 HydrophobicContact SD-CG2 3.61Å; R133-T136 WeakPolarHBondContact O-CB 3.48Å; R133-T136 WeakPolarHBondContact O-CG2 3.4Å; R133-T136 PolarHBondContact O-N 2.87Å; N134-T136 VanDerWaalsContact C-N 3.3Å; N134-T136 PolarHBondContact O-N 3.35Å; T136-L138 HydrophobicContact CG2-CD2 3.66Å; T136-L138 HydrophobicContact CG2-CG 4.15Å; T136-I212 HydrophobicContact CG2-CD1 3.7Å; T136-R214 PolarHBondContact O-NH1 3.01Å | ||
| 137 | I | 97.8 | Very high | 96.7 | Very high | 100 Ų | 100 | 58.4 Ų | 58.4 | 51% | 0.513 | 31% | 0.311 | S | S | . | . | B | Isolated β-bridge | trans | -80.5 | 128.9 | 168.5 | -58.7 | 168.5 | 0 | 0 | 0 | 107.2 | S45 T46 N47 | S45-I137 PolarHBondContact O-N 2.82Å; T46-I137 CarbonylContact C-O 3.54Å; T46-I137 WeakPolarHBondContact CA-O 3.26Å; N47-I137 PolarHBondContact N-O 3.43Å |
| 138 | L | 97.6 | Very high | 96.3 | Very high | 19 Ų | 19 | 63.2 Ų | 63.2 | 10% | 0.099 | 34% | 0.337 | C | S | . | . | trans | -109.4 | 117.5 | 174.4 | -60.6 | -179.6 | 0 | 0 | 0 | 108.1 | T136 F163 V209 I212 R214 | T136-L138 HydrophobicContact CG2-CD2 3.66Å; T136-L138 HydrophobicContact CG2-CG 4.15Å; L138-F163 HydrophobicContact CD2-CE1 4.19Å; L138-V209 HydrophobicContact CD1-CG2 4.22Å; L138-V209 HydrophobicContact CD2-CG2 3.81Å; L138-I212 HydrophobicContact CD1-CD1 4.32Å; L138-R214 HydrophobicContact CD1-CB 3.84Å | ||
| 139 | T | 96.7 | Very high | 95.9 | Very high | 51 Ų | 51 | 57.3 Ų | 57.3 | 31% | 0.313 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -90.3 | 155.5 | 176.3 | 62.6 | 0 | 0 | 0 | 0 | 110.4 | T46 N47 S216 | T46-T139 HydrophobicContact CG2-CG2 4.22Å; N47-T139 PolarHBondContact ND2-OG1 3.15Å; N47-T139 PolarHBondContact OD1-N 3.1Å; N47-T139 PolarHBondContact OD1-OG1 3.29Å; T139-S216 WeakPolarHBondContact O-CB 3.08Å; T139-S216 PolarHBondContact O-OG 2.83Å |
| 140 | P | 97.1 | Very high | 95.7 | Very high | 57 Ų | 57 | 55.3 Ų | 55.3 | 37% | 0.37 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -54.2 | 143.1 | 165.8 | -23 | 33.7 | 0 | 0 | 0 | 110.4 | A217 | P140-A217 WeakPolarHBondContact CB-O 3.36Å; P140-A217 HydrophobicContact CG-CB 4.23Å |
| 141 | P | 97.1 | Very high | 95.6 | Very high | 6 Ų | 6 | 55.7 Ų | 55.7 | 4% | 0.039 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 146.2 | 179.6 | 29.7 | -31.6 | 0 | 0 | 0 | 110.8 | L156 L159 F165 A205 T207 | P141-L156 HydrophobicContact CB-CD2 4.48Å; P141-L156 HydrophobicContact CG-CD2 4.41Å; P141-L159 HydrophobicContact CB-CD1 4.5Å; P141-F165 HydrophobicContact CB-CD1 3.98Å; P141-F165 HydrophobicContact CB-CE1 3.84Å; P141-F165 HydrophobicContact CG-CD1 4.26Å; P141-A205 HydrophobicContact CG-CB 3.98Å; P141-T207 HydrophobicContact CB-CG2 3.73Å; P141-T207 HydrophobicContact CG-CG2 3.96Å |
| 142 | G | 96.6 | Very high | 95.4 | Very high | 34 Ų | 34 | 55 Ų | 55 | 35% | 0.351 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -60 | 138 | 159.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | E157 | G142-E157 PolarHBondContact N-OE2 2.95Å; G142-E157 PolarHBondContact O-N 2.7Å |
| 143 | M | 96.4 | Very high | 95.4 | Very high | 27 Ų | 27 | 53.9 Ų | 53.9 | 13% | 0.133 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 145.9 | 175.7 | 72.2 | 179.4 | -164 | 0 | 0 | 110.4 | I145 I154 E155 L156 A205 S219 Q220 E222 | M143-I145 HydrophobicContact CE-CD1 4.3Å; M143-I154 HydrophobicContact CB-CD1 4.28Å; M143-E155 CarbonylContact C-O 3.56Å; M143-E155 WeakPolarHBondContact CA-O 3.26Å; M143-L156 HydrophobicContact CB-CD2 4.12Å; M143-A205 HydrophobicContact SD-CB 4.48Å; M143-S219 PolarHBondContact SD-OG 3Å; M143-Q220 WeakPolarHBondContact CE-O 2.97Å; M143-E222 HydrophobicContact CE-CB 3.55Å; M143-E222 VanDerWaalsContact CE-CD 3.48Å; M143-E222 HydrophobicContact CE-CG 3.44Å; M143-E222 VanDerWaalsContact CE-CG 3.44Å; M143-E222 WeakPolarHBondContact CE-OE1 3.4Å |
| 144 | E | 96.5 | Very high | 95.4 | Very high | 118 Ų | 118 | 52.7 Ų | 52.7 | 55% | 0.551 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128 | 129.2 | 172.3 | -175.8 | 174 | 173.2 | 0 | 0 | 108.7 | T146 I154 E155 | E144-T146 HydrophobicContact CG-CG2 4.3Å; E144-I154 WeakPolarHBondContact O-CA 3.31Å; E144-E155 PolarHBondContact N-O 2.9Å; E144-E155 PolarHBondContact O-N 3.44Å |
| 145 | I | 95.8 | Very high | 95.4 | Very high | 23 Ų | 23 | 52.3 Ų | 52.3 | 12% | 0.118 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 121.9 | 178.9 | -55.7 | -178.7 | 0 | 0 | 0 | 109.2 | M143 L152 V203 E222 V224 | M143-I145 HydrophobicContact CE-CD1 4.3Å; I145-L152 HydrophobicContact CG2-CD1 3.58Å; I145-V203 HydrophobicContact CD1-CB 3.72Å; I145-V203 HydrophobicContact CD1-CG2 3.95Å; I145-E222 HydrophobicContact CD1-CB 3.49Å; I145-E222 VanDerWaalsContact CD1-CB 3.49Å; I145-E222 HydrophobicContact CG1-CB 4.46Å; I145-V224 HydrophobicContact CB-CG1 4.4Å; I145-V224 HydrophobicContact CG2-CG1 3.85Å; I145-V224 HydrophobicContact CG2-CG2 3.86Å |
| 146 | T | 93.4 | Very high | 95.4 | Very high | 52 Ų | 52 | 48.9 Ų | 48.9 | 32% | 0.319 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 159.5 | 177.1 | 58.3 | 0 | 0 | 0 | 0 | 111.1 | E144 V153 | E144-T146 HydrophobicContact CG-CG2 4.3Å; T146-V153 PolarHBondContact N-O 3.16Å; T146-V153 PolarHBondContact O-N 3.01Å; T146-V153 VanDerWaalsContact O-O 3.09Å; T146-V153 WeakPolarHBondContact OG1-CB 3.34Å |
| 147 | K | 91.9 | Very high | 95.3 | Very high | 109 Ų | 109 | 53.5 Ų | 53.5 | 47% | 0.474 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 117.9 | 178.8 | -60.7 | -177.7 | -104.1 | 167.4 | 0 | 108.4 | H151 M195 V224 E225 V226 | K147-H151 WeakPolarHBondContact CA-O 3.46Å; K147-M195 HydrophobicContact CB-CE 4.19Å; K147-M195 HydrophobicContact CD-CE 4.04Å; K147-M195 HydrophobicContact CG-CE 3.76Å; K147-V224 HydrophobicContact CD-CB 4.07Å; K147-V224 HydrophobicContact CD-CG2 4.33Å; K147-V224 HydrophobicContact CG-CB 4.44Å; K147-V224 HydrophobicContact CG-CG2 4.32Å; K147-E225 PolarHBondContact NZ-O 2.85Å; K147-V226 HydrophobicContact CD-CG2 3.9Å |
| 148 | D | 89.8 | Confident | 95.2 | Very high | 116 Ų | 116 | 54 Ų | 54 | 62% | 0.62 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107 | 92.6 | 172.4 | -174.1 | 16.2 | 0 | 0 | 0 | 109 | F150 H151 V153 | D148-F150 PolarHBondContact O-N 2.79Å; D148-F150 VanDerWaalsContact O-N 3.07Å; D148-H151 HydrophobicContact CB-CB 4.44Å; D148-H151 PolarHBondContact N-O 3.01Å; D148-H151 VanDerWaalsContact N-O 3.11Å; D148-H151 WeakPolarHBondContact O-CB 3.18Å; D148-H151 PolarHBondContact O-CD2 3.11Å; D148-H151 PolarHBondContact O-N 2.87Å; D148-V153 HydrophobicContact CB-CG2 4.43Å |
| 149 | G | 88.6 | Confident | 95 | Very high | 55 Ų | 55 | 54.6 Ų | 54.6 | 57% | 0.567 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | -109.3 | -167.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 150 | F | 91.7 | Very high | 94.8 | Very high | 92 Ų | 92 | 53.2 Ų | 53.2 | 40% | 0.404 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98 | -0.2 | 175.2 | -66.5 | -77.4 | 0 | 0 | 0 | 113.2 | D148 T194 M195 P197 V226 | D148-F150 PolarHBondContact O-N 2.79Å; D148-F150 VanDerWaalsContact O-N 3.07Å; F150-T194 HydrophobicContact CB-CG2 4.1Å; F150-M195 WeakPolarHBondContact O-CB 3.43Å; F150-M195 PolarHBondContact O-N 2.93Å; F150-P197 HydrophobicContact CD1-CG 4.49Å; F150-P197 HydrophobicContact CE1-CB 4.17Å; F150-P197 HydrophobicContact CE1-CG 3.85Å; F150-V226 HydrophobicContact CD1-CB 4.27Å; F150-V226 HydrophobicContact CD1-CG1 3.58Å; F150-V226 HydrophobicContact CE1-CG1 3.56Å |
| 151 | H | 94.7 | Very high | 94.5 | Very high | 75 Ų | 75 | 56.7 Ų | 56.7 | 35% | 0.347 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 128.4 | -177.9 | -63.9 | -67.3 | 0 | 0 | 0 | 111.9 | K147 D148 V153 H191 T194 | K147-H151 WeakPolarHBondContact CA-O 3.46Å; D148-H151 HydrophobicContact CB-CB 4.44Å; D148-H151 PolarHBondContact N-O 3.01Å; D148-H151 VanDerWaalsContact N-O 3.11Å; D148-H151 WeakPolarHBondContact O-CB 3.18Å; D148-H151 PolarHBondContact O-CD2 3.11Å; D148-H151 PolarHBondContact O-N 2.87Å; H151-V153 HydrophobicContact CB-CG2 4.29Å; H151-H191 AromaticContact CE1-NE2 3.86Å; H151-H191 AromaticContact CG-CD2 3.69Å; H151-H191 AromaticContact CG-NE2 3.74Å; H151-H191 AromaticContact ND1-CD2 3.31Å; H151-H191 PolarHBondContact ND1-CD2 3.25Å; H151-H191 VanDerWaalsContact ND1-CD2 3.31Å; H151-H191 AromaticContact ND1-NE2 2.92Å; H151-H191 PolarHBondContact ND1-NE2 2.94Å; H151-T194 PolarHBondContact ND1-OG1 3.36Å |
| 152 | L | 95.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 114.7 | 169.7 | -179.5 | 63.7 | 0 | 0 | 0 | 108.8 | I145 L192 E193 M195 V203 V224 | I145-L152 HydrophobicContact CG2-CD1 3.58Å; L152-L192 HydrophobicContact CB-CB 4.49Å; L152-L192 HydrophobicContact CD2-CB 4.18Å; L152-L192 HydrophobicContact CD2-CD1 4.16Å; L152-L192 HydrophobicContact CG-CB 4.22Å; L152-L192 HydrophobicContact CG-CD1 4.24Å; L152-L192 PolarHBondContact O-N 3.23Å; L152-E193 WeakPolarHBondContact CB-O 3.29Å; L152-E193 PolarHBondContact N-O 3.22Å; L152-M195 HydrophobicContact CB-CE 4.12Å; L152-M195 HydrophobicContact CB-CG 3.82Å; L152-M195 HydrophobicContact CB-SD 3.99Å; L152-M195 HydrophobicContact CD1-SD 4.09Å; L152-V203 HydrophobicContact CD1-CG2 4.32Å; L152-V203 HydrophobicContact CD2-CG2 3.77Å; L152-V203 HydrophobicContact CG-CG2 4.39Å; L152-V224 HydrophobicContact CD1-CG2 3.44Å; L152-V224 VanDerWaalsContact CD1-CG2 3.44Å |
| 153 | V | 96.7 | Very high | 94.1 | Very high | 16 Ų | 16 | 59.4 Ų | 59.4 | 10% | 0.097 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 136 | -177.7 | -179.3 | 0 | 0 | 0 | 0 | 108.9 | T146 D148 H151 P189 V190 | T146-V153 PolarHBondContact N-O 3.16Å; T146-V153 PolarHBondContact O-N 3.01Å; T146-V153 VanDerWaalsContact O-O 3.09Å; T146-V153 WeakPolarHBondContact OG1-CB 3.34Å; D148-V153 HydrophobicContact CB-CG2 4.43Å; H151-V153 HydrophobicContact CB-CG2 4.29Å; V153-P189 HydrophobicContact CG1-CB 3.6Å; V153-V190 WeakPolarHBondContact CA-O 3.49Å |
| 154 | I | 97.4 | Very high | 94.2 | Very high | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 137.7 | 174.3 | -170.7 | 177.3 | 0 | 0 | 0 | 109.7 | M143 E144 L156 V167 V190 L192 V203 | M143-I154 HydrophobicContact CB-CD1 4.28Å; E144-I154 WeakPolarHBondContact O-CA 3.31Å; I154-L156 HydrophobicContact CD1-CD2 3.94Å; I154-L156 HydrophobicContact CD1-CG 4.16Å; I154-L156 HydrophobicContact CG1-CG 4.34Å; I154-V167 HydrophobicContact CD1-CG1 3.91Å; I154-V167 HydrophobicContact CD1-CG2 4.27Å; I154-V190 HydrophobicContact CG2-CB 4.22Å; I154-V190 PolarHBondContact N-O 3.4Å; I154-V190 PolarHBondContact O-N 3.41Å; I154-L192 HydrophobicContact CB-CD1 3.95Å; I154-L192 HydrophobicContact CB-CG 4.3Å; I154-L192 HydrophobicContact CG2-CD1 3.76Å; I154-L192 HydrophobicContact CG2-CD2 3.69Å; I154-L192 HydrophobicContact CG2-CG 3.7Å; I154-V203 HydrophobicContact CD1-CG1 3.93Å |
| 155 | E | 97.2 | Very high | 94.2 | Very high | 67 Ų | 67 | 55.5 Ų | 55.5 | 31% | 0.313 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 131.9 | 165.6 | -172.5 | 168 | -179.4 | 0 | 0 | 108.6 | M143 E144 | M143-E155 CarbonylContact C-O 3.56Å; M143-E155 WeakPolarHBondContact CA-O 3.26Å; E144-E155 PolarHBondContact N-O 2.9Å; E144-E155 PolarHBondContact O-N 3.44Å |
| 156 | L | 97.3 | Very high | 94.3 | Very high | 7 Ų | 7 | 55.9 Ų | 55.9 | 4% | 0.037 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 148.6 | -177.5 | -69.8 | 155.1 | 0 | 0 | 0 | 109.2 | P141 M143 I154 D158 F165 V167 V183 G186 G187 A205 | P141-L156 HydrophobicContact CB-CD2 4.48Å; P141-L156 HydrophobicContact CG-CD2 4.41Å; M143-L156 HydrophobicContact CB-CD2 4.12Å; I154-L156 HydrophobicContact CD1-CD2 3.94Å; I154-L156 HydrophobicContact CD1-CG 4.16Å; I154-L156 HydrophobicContact CG1-CG 4.34Å; L156-D158 PolarHBondContact O-N 3.49Å; L156-F165 HydrophobicContact CB-CD1 4.33Å; L156-F165 HydrophobicContact CB-CE1 4.33Å; L156-F165 HydrophobicContact CD1-CB 3.64Å; L156-F165 HydrophobicContact CD1-CD1 4.1Å; L156-F165 HydrophobicContact CD1-CD2 4.21Å; L156-F165 HydrophobicContact CD1-CG 3.74Å; L156-F165 HydrophobicContact CD2-CD1 4.15Å; L156-F165 HydrophobicContact CG-CD1 4.44Å; L156-V167 HydrophobicContact CD1-CG2 3.93Å; L156-V183 HydrophobicContact CD1-CB 4.04Å; L156-V183 HydrophobicContact CD1-CG1 4.02Å; L156-V183 HydrophobicContact CD1-CG2 4.33Å; L156-G186 CarbonylContact O-C 3.57Å; L156-G186 WeakPolarHBondContact O-CA 3.38Å; L156-G187 PolarHBondContact O-N 2.98Å; L156-A205 HydrophobicContact CD2-CB 3.67Å |
| 157 | E | 96.1 | Very high | 94.5 | Very high | 99 Ų | 99 | 53.4 Ų | 53.4 | 46% | 0.463 | 29% | 0.288 | S | S | . | . | trans | -56.7 | 136.5 | 172.6 | -177.4 | -179.2 | -166 | 0 | 0 | 111.5 | G142 L159 F165 | G142-E157 PolarHBondContact N-OE2 2.95Å; G142-E157 PolarHBondContact O-N 2.7Å; E157-L159 HydrophobicContact CG-CD2 4Å; E157-L159 HydrophobicContact CG-CG 4.42Å; E157-L159 PolarHBondContact O-N 2.8Å; E157-L159 VanDerWaalsContact O-N 3.15Å; E157-F165 WeakPolarHBondContact O-CZ 3.19Å | ||
| 158 | D | 95.5 | Very high | 94.8 | Very high | 110 Ų | 110 | 48.2 Ų | 48.2 | 59% | 0.588 | 27% | 0.266 | S | S | * | . | trans | -78.7 | 98.1 | 174.2 | -172.3 | 9 | 0 | 0 | 0 | 111 | L156 G160 | L156-D158 PolarHBondContact O-N 3.49Å; D158-G160 VanDerWaalsContact C-N 3.34Å; D158-G160 WeakPolarHBondContact OD1-CA 3.4Å; D158-G160 PolarHBondContact OD1-N 3.03Å | ||
| 159 | L | 93.8 | Very high | 95.2 | Very high | 32 Ų | 32 | 43.9 Ų | 43.9 | 17% | 0.168 | 24% | 0.241 | C | C | . | . | trans | -90.1 | 0.8 | 175.1 | -60.1 | 175.9 | 0 | 0 | 0 | 112.8 | P141 E157 F163 F165 T207 | P141-L159 HydrophobicContact CB-CD1 4.5Å; E157-L159 HydrophobicContact CG-CD2 4Å; E157-L159 HydrophobicContact CG-CG 4.42Å; E157-L159 PolarHBondContact O-N 2.8Å; E157-L159 VanDerWaalsContact O-N 3.15Å; L159-F163 HydrophobicContact CB-CB 4.09Å; L159-F163 HydrophobicContact CB-CD1 4.15Å; L159-F163 HydrophobicContact CB-CD2 3.53Å; L159-F163 HydrophobicContact CB-CE2 3.95Å; L159-F163 HydrophobicContact CB-CG 3.65Å; L159-F163 HydrophobicContact CB-CZ 4.43Å; L159-F163 HydrophobicContact CD1-CD1 4Å; L159-F163 HydrophobicContact CD1-CE1 4.25Å; L159-F163 HydrophobicContact CD1-CG 4.29Å; L159-F163 WeakPolarHBondContact O-CD2 3.42Å; L159-F163 WeakPolarHBondContact O-CE2 3.37Å; L159-F165 HydrophobicContact CB-CZ 4.35Å; L159-F165 HydrophobicContact CD1-CE1 3.94Å; L159-F165 HydrophobicContact CD1-CZ 4.22Å; L159-F165 HydrophobicContact CG-CE1 4.43Å; L159-F165 HydrophobicContact CG-CZ 4.32Å; L159-T207 HydrophobicContact CD1-CG2 3.51Å | ||
| 160 | G | 92.1 | Very high | 95.5 | Very high | 21 Ų | 21 | 43.2 Ų | 43.2 | 22% | 0.216 | 22% | 0.221 | C | C | . | . | trans | 90.2 | 179.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | D158 Q162 F163 | D158-G160 VanDerWaalsContact C-N 3.34Å; D158-G160 WeakPolarHBondContact OD1-CA 3.4Å; D158-G160 PolarHBondContact OD1-N 3.03Å; G160-Q162 PolarHBondContact O-N 2.78Å; G160-Q162 VanDerWaalsContact O-N 3.1Å; G160-F163 PolarHBondContact O-N 3.38Å | ||
| 161 | P | 90.9 | Very high | 95.7 | Very high | 131 Ų | 131 | 42.2 Ų | 42.2 | 85% | 0.851 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72 | -10.3 | -164.2 | 28.7 | -37 | 0 | 0 | 0 | 115.1 | ||
| 162 | Q | 89.3 | Confident | 95.7 | Very high | 93 Ų | 93 | 45.8 Ų | 45.8 | 44% | 0.435 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -11.3 | 177.7 | -60.1 | -64.4 | -13.1 | 0 | 0 | 112.5 | G160 | G160-Q162 PolarHBondContact O-N 2.78Å; G160-Q162 VanDerWaalsContact O-N 3.1Å |
| 163 | F | 95.8 | Very high | 95.4 | Very high | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.018 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 128.4 | -171.9 | -67.7 | -91.2 | 0 | 0 | 0 | 111.7 | N47 M48 L138 L159 G160 F165 T207 V209 | N47-F163 VanDerWaalsContact C-CZ 3.45Å; N47-F163 HydrophobicContact CB-CE1 4.41Å; N47-F163 HydrophobicContact CB-CZ 3.82Å; N47-F163 WeakPolarHBondContact O-CE2 3.44Å; N47-F163 WeakPolarHBondContact O-CZ 3.3Å; M48-F163 HydrophobicContact CB-CE2 4.05Å; M48-F163 HydrophobicContact CB-CZ 4.03Å; M48-F163 HydrophobicContact CG-CE2 3.99Å; M48-F163 HydrophobicContact CG-CZ 3.66Å; L138-F163 HydrophobicContact CD2-CE1 4.19Å; L159-F163 HydrophobicContact CB-CB 4.09Å; L159-F163 HydrophobicContact CB-CD1 4.15Å; L159-F163 HydrophobicContact CB-CD2 3.53Å; L159-F163 HydrophobicContact CB-CE2 3.95Å; L159-F163 HydrophobicContact CB-CG 3.65Å; L159-F163 HydrophobicContact CB-CZ 4.43Å; L159-F163 HydrophobicContact CD1-CD1 4Å; L159-F163 HydrophobicContact CD1-CE1 4.25Å; L159-F163 HydrophobicContact CD1-CG 4.29Å; L159-F163 WeakPolarHBondContact O-CD2 3.42Å; L159-F163 WeakPolarHBondContact O-CE2 3.37Å; G160-F163 PolarHBondContact O-N 3.38Å; F163-F165 HydrophobicContact CB-CE2 4.27Å; F163-F165 HydrophobicContact CB-CZ 4.19Å; F163-T207 HydrophobicContact CD1-CG2 4.18Å; F163-V209 HydrophobicContact CD1-CG2 3.58Å; F163-V209 HydrophobicContact CE1-CG2 3.32Å; F163-V209 HydrophobicContact CG-CG2 4.4Å; F163-V209 HydrophobicContact CZ-CG2 3.95Å |
| 164 | E | 97.1 | Very high | 95 | Very high | 62 Ų | 62 | 56.4 Ų | 56.4 | 29% | 0.29 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 159.3 | 159.2 | -63 | 177.8 | -157.6 | 0 | 0 | 108.2 | M182 T207 F208 | E164-M182 HydrophobicContact CB-CE 3.95Å; E164-M182 VanDerWaalsContact OE2-CE 3.24Å; E164-M182 WeakPolarHBondContact OE2-CE 3.49Å; E164-T207 CarbonylContact O-C 3.59Å; E164-T207 WeakPolarHBondContact O-CA 3.36Å; E164-F208 HydrophobicContact CB-CB 4.45Å; E164-F208 HydrophobicContact CB-CD1 4.36Å; E164-F208 PolarHBondContact N-O 2.94Å; E164-F208 PolarHBondContact O-N 2.94Å |
| 165 | F | 97.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 60.3 Ų | 60.3 | 0% | 0.004 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 130.7 | -176.6 | -55.1 | -98.7 | 0 | 0 | 0 | 110 | P141 L156 E157 L159 F163 M182 V183 Q206 T207 | P141-F165 HydrophobicContact CB-CD1 3.98Å; P141-F165 HydrophobicContact CB-CE1 3.84Å; P141-F165 HydrophobicContact CG-CD1 4.26Å; L156-F165 HydrophobicContact CB-CD1 4.33Å; L156-F165 HydrophobicContact CB-CE1 4.33Å; L156-F165 HydrophobicContact CD1-CB 3.64Å; L156-F165 HydrophobicContact CD1-CD1 4.1Å; L156-F165 HydrophobicContact CD1-CD2 4.21Å; L156-F165 HydrophobicContact CD1-CG 3.74Å; L156-F165 HydrophobicContact CD2-CD1 4.15Å; L156-F165 HydrophobicContact CG-CD1 4.44Å; E157-F165 WeakPolarHBondContact O-CZ 3.19Å; L159-F165 HydrophobicContact CB-CZ 4.35Å; L159-F165 HydrophobicContact CD1-CE1 3.94Å; L159-F165 HydrophobicContact CD1-CZ 4.22Å; L159-F165 HydrophobicContact CG-CE1 4.43Å; L159-F165 HydrophobicContact CG-CZ 4.32Å; F163-F165 HydrophobicContact CB-CE2 4.27Å; F163-F165 HydrophobicContact CB-CZ 4.19Å; F165-M182 CarbonylContact O-C 3.58Å; F165-M182 WeakPolarHBondContact O-CA 3.33Å; F165-V183 HydrophobicContact CB-CB 4.25Å; F165-V183 PolarHBondContact N-O 3.34Å; F165-V183 PolarHBondContact O-N 3.25Å; F165-Q206 WeakPolarHBondContact CA-O 3.31Å; F165-T207 HydrophobicContact CD1-CG2 3.86Å; F165-T207 HydrophobicContact CE1-CG2 3.76Å |
| 166 | L | 97.8 | Very high | 94.1 | Very high | 30 Ų | 30 | 59 Ų | 59 | 16% | 0.157 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 110.8 | 171.8 | -171.8 | 151.9 | 0 | 0 | 0 | 107.8 | V180 M182 A205 Q206 Y215 F218 | L166-V180 HydrophobicContact CD1-CG1 3.96Å; L166-V180 HydrophobicContact CD2-CG1 3.57Å; L166-V180 HydrophobicContact CG-CG1 3.51Å; L166-M182 HydrophobicContact CB-SD 3.87Å; L166-M182 HydrophobicContact CD1-SD 4.13Å; L166-M182 HydrophobicContact CG-SD 4.11Å; L166-A205 WeakPolarHBondContact O-CA 3.43Å; L166-Q206 HydrophobicContact CB-CG 4Å; L166-Q206 HydrophobicContact CD2-CG 4.42Å; L166-Q206 PolarHBondContact N-O 2.87Å; L166-Q206 PolarHBondContact O-N 3.3Å; L166-Y215 HydrophobicContact CD1-CE1 4.39Å; L166-F218 HydrophobicContact CD2-CE1 4.08Å; L166-F218 HydrophobicContact CD2-CZ 4.11Å |
| 167 | V | 98.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 118.4 | 179.8 | -175.6 | 0 | 0 | 0 | 0 | 108.6 | I154 L156 V180 K181 V183 L192 V203 A205 | I154-V167 HydrophobicContact CD1-CG1 3.91Å; I154-V167 HydrophobicContact CD1-CG2 4.27Å; L156-V167 HydrophobicContact CD1-CG2 3.93Å; V167-V180 CarbonylContact O-C 3.45Å; V167-V180 WeakPolarHBondContact O-CA 3.12Å; V167-K181 PolarHBondContact N-O 2.74Å; V167-K181 PolarHBondContact O-N 3.26Å; V167-V183 HydrophobicContact CG2-CG2 3.89Å; V167-L192 HydrophobicContact CG1-CD1 3.93Å; V167-L192 HydrophobicContact CG1-CD2 4.02Å; V167-V203 HydrophobicContact CG1-CG1 3.53Å; V167-A205 HydrophobicContact CG2-CB 4.25Å |
| 168 | A | 97.7 | Very high | 93.7 | Very high | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.008 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 128 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | H179 V180 V203 K204 F218 | A168-H179 CarbonylContact C-O 3.57Å; A168-H179 VanDerWaalsContact CA-O 3.28Å; A168-H179 WeakPolarHBondContact CA-O 3.5Å; A168-V180 HydrophobicContact CB-CG2 4.42Å; A168-V203 WeakPolarHBondContact O-CA 3.22Å; A168-K204 HydrophobicContact CB-CG 3.99Å; A168-K204 PolarHBondContact N-O 2.93Å; A168-K204 PolarHBondContact O-N 2.83Å; A168-K204 VanDerWaalsContact O-O 3.13Å; A168-F218 HydrophobicContact CB-CE1 4.36Å |
| 169 | Y | 97 | Very high | 93.8 | Very high | 24 Ų | 24 | 65.6 Ų | 65.6 | 9% | 0.094 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 146 | -179.1 | 63.6 | -83 | 0 | 0 | 0 | 111.4 | H179 K181 L192 E193 C202 | Y169-H179 HydrophobicContact CD1-CB 4.2Å; Y169-H179 WeakPolarHBondContact CD1-O 3.35Å; Y169-H179 HydrophobicContact CD2-CB 4.04Å; Y169-H179 HydrophobicContact CE1-CB 3.74Å; Y169-H179 HydrophobicContact CE2-CB 3.57Å; Y169-H179 HydrophobicContact CG-CB 4.33Å; Y169-H179 VanDerWaalsContact CZ-CB 3.42Å; Y169-H179 PolarHBondContact N-O 2.95Å; Y169-H179 PolarHBondContact O-N 2.93Å; Y169-K181 HydrophobicContact CE1-CB 4.06Å; Y169-L192 HydrophobicContact CD1-CB 4.43Å; Y169-L192 HydrophobicContact CD1-CD1 4.35Å; Y169-L192 HydrophobicContact CD1-CD2 4.33Å; Y169-L192 HydrophobicContact CD2-CB 4.5Å; Y169-L192 HydrophobicContact CE1-CD2 4.42Å; Y169-L192 HydrophobicContact CG-CB 4.42Å; Y169-L192 HydrophobicContact CG-CD1 4.34Å; Y169-E193 HydrophobicContact CD2-CB 4.25Å; Y169-E193 HydrophobicContact CE2-CB 3.83Å; Y169-E193 HydrophobicContact CE2-CG 4.35Å; Y169-C202 CarbonylContact C-O 3.55Å; Y169-C202 WeakPolarHBondContact CA-O 3.39Å |
| 170 | W | 96.7 | Very high | 93.9 | Very high | 41 Ų | 41 | 68.2 Ų | 68.2 | 16% | 0.155 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 159.3 | -178.4 | 65.1 | 104.9 | 0 | 0 | 0 | 111.6 | E178 Y201 C202 K204 T221 | W170-E178 HydrophobicContact CB-CG 4.22Å; W170-E178 HydrophobicContact CD2-CG 3.99Å; W170-E178 HydrophobicContact CE3-CG 3.79Å; W170-E178 HydrophobicContact CG-CG 4.19Å; W170-E178 HydrophobicContact CZ3-CG 4.49Å; W170-Y201 CarbonylContact O-C 3.57Å; W170-Y201 WeakPolarHBondContact O-CA 3.42Å; W170-C202 HydrophobicContact CD2-CB 3.95Å; W170-C202 HydrophobicContact CE3-CB 4.37Å; W170-C202 HydrophobicContact CH2-CB 3.97Å; W170-C202 HydrophobicContact CZ2-CB 3.53Å; W170-C202 HydrophobicContact CZ3-CB 4.37Å; W170-C202 PolarHBondContact N-O 2.89Å; W170-C202 PolarHBondContact O-N 3.27Å; W170-K204 HydrophobicContact CH2-CD 3.92Å; W170-K204 HydrophobicContact CH2-CG 4.3Å; W170-K204 HydrophobicContact CZ3-CD 3.91Å; W170-K204 HydrophobicContact CZ3-CG 3.97Å; W170-T221 HydrophobicContact CH2-CG2 3.49Å; W170-T221 VanDerWaalsContact CH2-CG2 3.49Å; W170-T221 HydrophobicContact CZ2-CG2 3.75Å |
| 171 | R | 95.1 | Very high | 94.1 | Very high | 71 Ų | 71 | 70.6 Ų | 70.6 | 27% | 0.268 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 133.2 | 168.3 | -175 | 176.4 | 174.3 | 158.2 | -4.8 | 109.4 | E173 A176 E196 A199 Y201 | R171-E173 VanDerWaalsContact C-N 3.26Å; R171-E173 HydrophobicContact CG-CG 4.14Å; R171-E173 IonicContact CZ-OE1 3.83Å; R171-E173 IonicContact CZ-OE2 3.71Å; R171-E173 IonicContact NE-OE1 2.71Å; R171-E173 PolarHBondContact NE-OE1 3.36Å; R171-E173 IonicContact NE-OE2 2.65Å; R171-E173 PolarHBondContact NE-OE2 3.13Å; R171-E173 IonicContact NH2-OE1 2.82Å; R171-E173 PolarHBondContact NH2-OE1 3.27Å; R171-E173 PolarHBondContact O-N 2.97Å; R171-A176 WeakPolarHBondContact O-CB 3.13Å; R171-E196 IonicContact CZ-OE2 2.61Å; R171-E196 VanDerWaalsContact NH1-CD 3.33Å; R171-E196 IonicContact NH1-OE1 3.93Å; R171-E196 IonicContact NH1-OE2 2.8Å; R171-E196 PolarHBondContact NH1-OE2 3.15Å; R171-E196 IonicContact NH2-OE2 3.08Å; R171-A199 HydrophobicContact CG-CB 4.33Å; R171-Y201 HydrophobicContact CB-CD1 4.32Å; R171-Y201 HydrophobicContact CB-CE1 4.01Å; R171-Y201 HydrophobicContact CG-CE1 4.49Å; R171-Y201 HydrophobicContact CG-CE2 4.45Å |
| 172 | R | 94.1 | Very high | 94.4 | Very high | 150 Ų | 150 | 68.5 Ų | 68.5 | 57% | 0.566 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -74.5 | 77.8 | -178.4 | -172.6 | -172.6 | -81.4 | -179.4 | -14 | 110.8 | A200 C202 C223 | R172-A200 HydrophobicContact CB-CB 4.05Å; R172-A200 VanDerWaalsContact CB-O 3.25Å; R172-A200 WeakPolarHBondContact CB-O 3.46Å; R172-A200 PolarHBondContact N-O 3.38Å; R172-C202 PolarHBondContact NE-SG 2.89Å; R172-C223 PolarHBondContact NH2-SG 3.3Å |
| 173 | E | 90.9 | Very high | 94.8 | Very high | 99 Ų | 99 | 64.6 Ų | 64.6 | 46% | 0.463 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -138.1 | 151.3 | 175.8 | -72.1 | 179.9 | 175.6 | 0 | 0 | 110.8 | R171 G175 A176 | R171-E173 VanDerWaalsContact C-N 3.26Å; R171-E173 HydrophobicContact CG-CG 4.14Å; R171-E173 IonicContact CZ-OE1 3.83Å; R171-E173 IonicContact CZ-OE2 3.71Å; R171-E173 IonicContact NE-OE1 2.71Å; R171-E173 PolarHBondContact NE-OE1 3.36Å; R171-E173 IonicContact NE-OE2 2.65Å; R171-E173 PolarHBondContact NE-OE2 3.13Å; R171-E173 IonicContact NH2-OE1 2.82Å; R171-E173 PolarHBondContact NH2-OE1 3.27Å; R171-E173 PolarHBondContact O-N 2.97Å; E173-G175 PolarHBondContact O-N 2.93Å; E173-A176 HydrophobicContact CB-CB 4.43Å; E173-A176 PolarHBondContact O-N 2.85Å |
| 174 | P | 86.7 | Confident | 94.7 | Very high | 140 Ų | 140 | 74.2 Ų | 74.2 | 91% | 0.909 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 120.7 | 175.2 | -18.3 | 30.7 | 0 | 0 | 0 | 110.6 | ||
| 175 | G | 85.4 | Confident | 94.5 | Very high | 83 Ų | 83 | 74.2 Ų | 74.2 | 86% | 0.856 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.6 | 9.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | E173 | E173-G175 PolarHBondContact O-N 2.93Š|
| 176 | A | 90.1 | Very high | 94.4 | Very high | 41 Ų | 41 | 74.4 Ų | 74.4 | 34% | 0.339 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 137 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | R171 E173 | R171-A176 WeakPolarHBondContact O-CB 3.13Å; E173-A176 HydrophobicContact CB-CB 4.43Å; E173-A176 PolarHBondContact O-N 2.85Å |
| 177 | E | 91.9 | Very high | 94.2 | Very high | 162 Ų | 162 | 74.9 Ų | 74.9 | 76% | 0.757 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -78.5 | 142.4 | 174.8 | -65.8 | -172.2 | 167.4 | 0 | 0 | 111.1 | ||
| 178 | E | 95.1 | Very high | 94 | Very high | 93 Ų | 93 | 79.7 Ų | 79.7 | 44% | 0.435 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -81.4 | 121.3 | 173.6 | -66.8 | -171.8 | -176.8 | 0 | 0 | 110.3 | W170 K204 | W170-E178 HydrophobicContact CB-CG 4.22Å; W170-E178 HydrophobicContact CD2-CG 3.99Å; W170-E178 HydrophobicContact CE3-CG 3.79Å; W170-E178 HydrophobicContact CG-CG 4.19Å; W170-E178 HydrophobicContact CZ3-CG 4.49Å; E178-K204 IonicContact OE1-NZ 3.07Å; E178-K204 PolarHBondContact OE1-NZ 3.04Å; E178-K204 VanDerWaalsContact OE2-CE 3.3Å; E178-K204 WeakPolarHBondContact OE2-CE 2.92Å; E178-K204 IonicContact OE2-NZ 3.41Å; E178-K204 PolarHBondContact OE2-NZ 3.22Å |
| 179 | H | 96.1 | Very high | 93.9 | Very high | 99 Ų | 99 | 83.5 Ų | 83.5 | 46% | 0.458 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 141.8 | 168.8 | -61.8 | -71.9 | 0 | 0 | 0 | 109.7 | A168 Y169 | A168-H179 CarbonylContact C-O 3.57Å; A168-H179 VanDerWaalsContact CA-O 3.28Å; A168-H179 WeakPolarHBondContact CA-O 3.5Å; Y169-H179 HydrophobicContact CD1-CB 4.2Å; Y169-H179 WeakPolarHBondContact CD1-O 3.35Å; Y169-H179 HydrophobicContact CD2-CB 4.04Å; Y169-H179 HydrophobicContact CE1-CB 3.74Å; Y169-H179 HydrophobicContact CE2-CB 3.57Å; Y169-H179 HydrophobicContact CG-CB 4.33Å; Y169-H179 VanDerWaalsContact CZ-CB 3.42Å; Y169-H179 PolarHBondContact N-O 2.95Å; Y169-H179 PolarHBondContact O-N 2.93Å |
| 180 | V | 96.6 | Very high | 93.9 | Very high | 86 Ų | 86 | 83.7 Ų | 83.7 | 52% | 0.521 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 129.1 | -178.6 | -179.5 | 0 | 0 | 0 | 0 | 110.3 | L166 V167 A168 | L166-V180 HydrophobicContact CD1-CG1 3.96Å; L166-V180 HydrophobicContact CD2-CG1 3.57Å; L166-V180 HydrophobicContact CG-CG1 3.51Å; V167-V180 CarbonylContact O-C 3.45Å; V167-V180 WeakPolarHBondContact O-CA 3.12Å; A168-V180 HydrophobicContact CB-CG2 4.42Å |
| 181 | K | 96.8 | Very high | 93.9 | Very high | 72 Ų | 72 | 85.4 Ų | 85.4 | 31% | 0.313 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 130.4 | 175.9 | -174.3 | 171.6 | -177 | 171.7 | 0 | 110.5 | V167 Y169 H191 L192 | V167-K181 PolarHBondContact N-O 2.74Å; V167-K181 PolarHBondContact O-N 3.26Å; Y169-K181 HydrophobicContact CE1-CB 4.06Å; K181-H191 PolarHBondContact NZ-O 2.95Å; K181-L192 HydrophobicContact CD-CD2 4.02Å |
| 182 | M | 96.6 | Very high | 93.9 | Very high | 86 Ų | 86 | 82.4 Ų | 82.4 | 42% | 0.424 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 123.5 | 171 | -70.6 | -66.4 | -71.3 | 0 | 0 | 109.7 | E164 F165 L166 F208 | E164-M182 HydrophobicContact CB-CE 3.95Å; E164-M182 VanDerWaalsContact OE2-CE 3.24Å; E164-M182 WeakPolarHBondContact OE2-CE 3.49Å; F165-M182 CarbonylContact O-C 3.58Å; F165-M182 WeakPolarHBondContact O-CA 3.33Å; L166-M182 HydrophobicContact CB-SD 3.87Å; L166-M182 HydrophobicContact CD1-SD 4.13Å; L166-M182 HydrophobicContact CG-SD 4.11Å; M182-F208 HydrophobicContact CE-CD1 4.47Å |
| 183 | V | 96.5 | Very high | 94 | Very high | 11 Ų | 11 | 78.5 Ų | 78.5 | 7% | 0.067 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 129.6 | 175.5 | -179.9 | 0 | 0 | 0 | 0 | 108.3 | L156 F165 V167 S185 V190 | L156-V183 HydrophobicContact CD1-CB 4.04Å; L156-V183 HydrophobicContact CD1-CG1 4.02Å; L156-V183 HydrophobicContact CD1-CG2 4.33Å; F165-V183 HydrophobicContact CB-CB 4.25Å; F165-V183 PolarHBondContact N-O 3.34Å; F165-V183 PolarHBondContact O-N 3.25Å; V167-V183 HydrophobicContact CG2-CG2 3.89Å; V183-S185 WeakPolarHBondContact CG1-O 3.38Å; V183-V190 HydrophobicContact CG1-CG2 3.92Å; V183-V190 HydrophobicContact CG2-CG1 4.21Å |
| 184 | R | 94.1 | Very high | 94.1 | Very high | 207 Ų | 207 | 77 Ų | 77 | 78% | 0.781 | 43% | 0.433 | S | S | * | . | trans | -84.4 | -22.1 | -170.9 | -68 | -175.4 | 179.1 | 173.4 | 0.9 | 114.6 | ||||
| 185 | S | 93.9 | Very high | 94.4 | Very high | 61 Ų | 61 | 70.5 Ų | 70.5 | 43% | 0.427 | 39% | 0.391 | S | S | . | . | trans | -152.5 | 146.1 | -172.4 | -52 | 0 | 0 | 0 | 0 | 110 | V183 | V183-S185 WeakPolarHBondContact CG1-O 3.38Š| ||
| 186 | G | 94.2 | Very high | 94.7 | Very high | 5 Ų | 5 | 71.5 Ų | 71.5 | 5% | 0.052 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -86.2 | -177.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L156 I188 | L156-G186 CarbonylContact O-C 3.57Å; L156-G186 WeakPolarHBondContact O-CA 3.38Å; G186-I188 PolarHBondContact O-N 3.35Å |
| 187 | G | 94.4 | Very high | 94.6 | Very high | 40 Ų | 40 | 73.1 Ų | 73.1 | 41% | 0.412 | 38% | 0.38 | S | S | . | . | S | Bend | trans | 70.6 | 13.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115 | L156 | L156-G187 PolarHBondContact O-N 2.98Š|
| 188 | I | 94.2 | Very high | 94.3 | Very high | 101 Ų | 101 | 67.9 Ų | 67.9 | 52% | 0.518 | 37% | 0.369 | S | S | . | . | S | Bend | trans | -134.4 | 132.4 | -178.7 | -53.6 | 170.5 | 0 | 0 | 0 | 108.5 | G186 V190 | G186-I188 PolarHBondContact O-N 3.35Å; I188-V190 PolarHBondContact O-N 3.26Å |
| 189 | P | 95.8 | Very high | 94.1 | Very high | 81 Ų | 81 | 63.7 Ų | 63.7 | 53% | 0.526 | 35% | 0.351 | S | S | . | . | trans | -67.8 | 128.8 | 174 | 26.3 | -33.5 | 0 | 0 | 0 | 111 | V153 | V153-P189 HydrophobicContact CG1-CB 3.6Š| ||
| 190 | V | 96.8 | Very high | 94 | Very high | 28 Ų | 28 | 59.8 Ų | 59.8 | 17% | 0.17 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 121.4 | -179.5 | 179.4 | 0 | 0 | 0 | 0 | 109.9 | V153 I154 V183 I188 L192 | V153-V190 WeakPolarHBondContact CA-O 3.49Å; I154-V190 HydrophobicContact CG2-CB 4.22Å; I154-V190 PolarHBondContact N-O 3.4Å; I154-V190 PolarHBondContact O-N 3.41Å; V183-V190 HydrophobicContact CG1-CG2 3.92Å; V183-V190 HydrophobicContact CG2-CG1 4.21Å; I188-V190 PolarHBondContact O-N 3.26Å; V190-L192 PolarHBondContact O-N 2.84Å |
| 191 | H | 96.7 | Very high | 93.9 | Very high | 77 Ų | 77 | 56.5 Ų | 56.5 | 36% | 0.356 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 125.8 | 169.4 | 176.3 | -76.9 | 0 | 0 | 0 | 110.6 | H151 K181 E193 | H151-H191 AromaticContact CE1-NE2 3.86Å; H151-H191 AromaticContact CG-CD2 3.69Å; H151-H191 AromaticContact CG-NE2 3.74Å; H151-H191 AromaticContact ND1-CD2 3.31Å; H151-H191 PolarHBondContact ND1-CD2 3.25Å; H151-H191 VanDerWaalsContact ND1-CD2 3.31Å; H151-H191 AromaticContact ND1-NE2 2.92Å; H151-H191 PolarHBondContact ND1-NE2 2.94Å; K181-H191 PolarHBondContact NZ-O 2.95Å; H191-E193 PolarHBondContact CE1-N 2.86Å |
| 192 | L | 96.1 | Very high | 93.9 | Very high | 8 Ų | 8 | 53.3 Ų | 53.3 | 4% | 0.042 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | -62.4 | 174 | -63.3 | -177 | 0 | 0 | 0 | 111.1 | L152 I154 V167 Y169 K181 V190 V203 | L152-L192 HydrophobicContact CB-CB 4.49Å; L152-L192 HydrophobicContact CD2-CB 4.18Å; L152-L192 HydrophobicContact CD2-CD1 4.16Å; L152-L192 HydrophobicContact CG-CB 4.22Å; L152-L192 HydrophobicContact CG-CD1 4.24Å; L152-L192 PolarHBondContact O-N 3.23Å; I154-L192 HydrophobicContact CB-CD1 3.95Å; I154-L192 HydrophobicContact CB-CG 4.3Å; I154-L192 HydrophobicContact CG2-CD1 3.76Å; I154-L192 HydrophobicContact CG2-CD2 3.69Å; I154-L192 HydrophobicContact CG2-CG 3.7Å; V167-L192 HydrophobicContact CG1-CD1 3.93Å; V167-L192 HydrophobicContact CG1-CD2 4.02Å; Y169-L192 HydrophobicContact CD1-CB 4.43Å; Y169-L192 HydrophobicContact CD1-CD1 4.35Å; Y169-L192 HydrophobicContact CD1-CD2 4.33Å; Y169-L192 HydrophobicContact CD2-CB 4.5Å; Y169-L192 HydrophobicContact CE1-CD2 4.42Å; Y169-L192 HydrophobicContact CG-CB 4.42Å; Y169-L192 HydrophobicContact CG-CD1 4.34Å; K181-L192 HydrophobicContact CD-CD2 4.02Å; V190-L192 PolarHBondContact O-N 2.84Å; L192-V203 HydrophobicContact CD1-CG1 3.82Å; L192-V203 HydrophobicContact CD1-CG2 3.96Å |
| 193 | E | 94.6 | Very high | 93.9 | Very high | 68 Ų | 68 | 49.2 Ų | 49.2 | 32% | 0.318 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 157.3 | -171.3 | -167.8 | 54.7 | -91 | 0 | 0 | 111.5 | L152 Y169 H191 Y201 | L152-E193 WeakPolarHBondContact CB-O 3.29Å; L152-E193 PolarHBondContact N-O 3.22Å; Y169-E193 HydrophobicContact CD2-CB 4.25Å; Y169-E193 HydrophobicContact CE2-CB 3.83Å; Y169-E193 HydrophobicContact CE2-CG 4.35Å; H191-E193 PolarHBondContact CE1-N 2.86Å; E193-Y201 HydrophobicContact CG-CE1 4.42Å |
| 194 | T | 94.4 | Very high | 94 | Very high | 67 Ų | 67 | 50.3 Ų | 50.3 | 41% | 0.411 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 117.8 | 168.2 | -51.1 | 0 | 0 | 0 | 0 | 109.8 | F150 H151 | F150-T194 HydrophobicContact CB-CG2 4.1Å; H151-T194 PolarHBondContact ND1-OG1 3.36Å |
| 195 | M | 92.8 | Very high | 94.2 | Very high | 5 Ų | 5 | 40.4 Ų | 40.4 | 3% | 0.025 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -77.7 | 141.7 | -177.1 | -60.8 | 180 | -80.9 | 0 | 0 | 112.2 | K147 F150 L152 Y201 V224 V226 | K147-M195 HydrophobicContact CB-CE 4.19Å; K147-M195 HydrophobicContact CD-CE 4.04Å; K147-M195 HydrophobicContact CG-CE 3.76Å; F150-M195 WeakPolarHBondContact O-CB 3.43Å; F150-M195 PolarHBondContact O-N 2.93Å; L152-M195 HydrophobicContact CB-CE 4.12Å; L152-M195 HydrophobicContact CB-CG 3.82Å; L152-M195 HydrophobicContact CB-SD 3.99Å; L152-M195 HydrophobicContact CD1-SD 4.09Å; M195-Y201 HydrophobicContact CB-CD2 3.94Å; M195-Y201 HydrophobicContact CB-CE2 3.82Å; M195-Y201 HydrophobicContact CG-CD2 3.7Å; M195-Y201 HydrophobicContact CG-CE2 4.03Å; M195-Y201 HydrophobicContact CG-CG 4.03Å; M195-Y201 HydrophobicContact SD-CD2 4.27Å; M195-V224 HydrophobicContact SD-CG2 4Å; M195-V226 HydrophobicContact CB-CG2 4.21Å; M195-V226 HydrophobicContact CE-CG2 3.2Å; M195-V226 HydrophobicContact SD-CG2 3.77Å |
| 196 | E | 90.3 | Very high | 94.4 | Very high | 103 Ų | 103 | 38.8 Ų | 38.8 | 48% | 0.481 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -83.2 | 143.2 | 168.2 | -68.3 | -175.5 | -175.8 | 0 | 0 | 111.8 | R171 G198 A199 | R171-E196 IonicContact CZ-OE2 2.61Å; R171-E196 VanDerWaalsContact NH1-CD 3.33Å; R171-E196 IonicContact NH1-OE1 3.93Å; R171-E196 IonicContact NH1-OE2 2.8Å; R171-E196 PolarHBondContact NH1-OE2 3.15Å; R171-E196 IonicContact NH2-OE2 3.08Å; E196-G198 PolarHBondContact O-N 3.49Å; E196-A199 HydrophobicContact CB-CB 4.45Å; E196-A199 PolarHBondContact O-N 3.34Å |
| 197 | P | 89.1 | Confident | 94.5 | Very high | 75 Ų | 75 | 38.5 Ų | 38.5 | 49% | 0.487 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | 134.6 | 178.6 | -2.2 | 11.2 | 0 | 0 | 0 | 112.4 | F150 A199 V226 | F150-P197 HydrophobicContact CD1-CG 4.49Å; F150-P197 HydrophobicContact CE1-CB 4.17Å; F150-P197 HydrophobicContact CE1-CG 3.85Å; P197-A199 VanDerWaalsContact C-N 3.3Å; P197-V226 WeakPolarHBondContact CA-O 2.94Å |
| 198 | G | 85.4 | Confident | 94.7 | Very high | 52 Ų | 52 | 38.2 Ų | 38.2 | 54% | 0.536 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 2.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | E196 E225 V226 | E196-G198 PolarHBondContact O-N 3.49Å; G198-E225 WeakPolarHBondContact CA-OE1 3.42Å; G198-V226 PolarHBondContact N-O 2.76Å |
| 199 | A | 89.9 | Confident | 94.8 | Very high | 6 Ų | 6 | 33.4 Ų | 33.4 | 5% | 0.05 | 19% | 0.193 | C | C | . | . | trans | -106.8 | 130.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | R171 E196 P197 Y201 | R171-A199 HydrophobicContact CG-CB 4.33Å; E196-A199 HydrophobicContact CB-CB 4.45Å; E196-A199 PolarHBondContact O-N 3.34Å; P197-A199 VanDerWaalsContact C-N 3.3Å; A199-Y201 HydrophobicContact CB-CE2 3.98Å | ||
| 200 | A | 93.9 | Very high | 94.7 | Very high | 16 Ų | 16 | 37 Ų | 37 | 13% | 0.132 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 134.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | R172 V224 E225 | R172-A200 HydrophobicContact CB-CB 4.05Å; R172-A200 VanDerWaalsContact CB-O 3.25Å; R172-A200 WeakPolarHBondContact CB-O 3.46Å; R172-A200 PolarHBondContact N-O 3.38Å; A200-V224 CarbonylContact C-O 3.56Å; A200-V224 WeakPolarHBondContact CA-O 3.28Å; A200-E225 HydrophobicContact CB-CB 4.25Å |
| 201 | Y | 95.8 | Very high | 94.5 | Very high | 18 Ų | 18 | 37.1 Ų | 37.1 | 7% | 0.071 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 136.8 | 173.9 | -75.2 | -104.9 | 0 | 0 | 0 | 109.3 | W170 R171 E193 M195 A199 C223 V224 | W170-Y201 CarbonylContact O-C 3.57Å; W170-Y201 WeakPolarHBondContact O-CA 3.42Å; R171-Y201 HydrophobicContact CB-CD1 4.32Å; R171-Y201 HydrophobicContact CB-CE1 4.01Å; R171-Y201 HydrophobicContact CG-CE1 4.49Å; R171-Y201 HydrophobicContact CG-CE2 4.45Å; E193-Y201 HydrophobicContact CG-CE1 4.42Å; M195-Y201 HydrophobicContact CB-CD2 3.94Å; M195-Y201 HydrophobicContact CB-CE2 3.82Å; M195-Y201 HydrophobicContact CG-CD2 3.7Å; M195-Y201 HydrophobicContact CG-CE2 4.03Å; M195-Y201 HydrophobicContact CG-CG 4.03Å; M195-Y201 HydrophobicContact SD-CD2 4.27Å; A199-Y201 HydrophobicContact CB-CE2 3.98Å; Y201-C223 CarbonylContact O-C 3.54Å; Y201-C223 WeakPolarHBondContact O-CA 3.48Å; Y201-C223 WeakPolarHBondContact O-CB 3.37Å; Y201-V224 PolarHBondContact N-O 3.43Å; Y201-V224 PolarHBondContact O-N 2.84Å |
| 202 | C | 96.3 | Very high | 94.5 | Very high | 4 Ų | 4 | 34.4 Ų | 34.4 | 3% | 0.027 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 145.4 | -179.5 | -69.7 | 0 | 0 | 0 | 0 | 110.5 | Y169 W170 R172 T221 E222 C223 | Y169-C202 CarbonylContact C-O 3.55Å; Y169-C202 WeakPolarHBondContact CA-O 3.39Å; W170-C202 HydrophobicContact CD2-CB 3.95Å; W170-C202 HydrophobicContact CE3-CB 4.37Å; W170-C202 HydrophobicContact CH2-CB 3.97Å; W170-C202 HydrophobicContact CZ2-CB 3.53Å; W170-C202 HydrophobicContact CZ3-CB 4.37Å; W170-C202 PolarHBondContact N-O 2.89Å; W170-C202 PolarHBondContact O-N 3.27Å; R172-C202 PolarHBondContact NE-SG 2.89Å; C202-T221 HydrophobicContact CB-CG2 3.83Å; C202-E222 CarbonylContact C-O 3.57Å; C202-E222 WeakPolarHBondContact CA-O 3.18Å; C202-C223 WeakPolarHBondContact CA-SG 3.4Å; C202-C223 HydrophobicContact CB-CB 4.03Å; C202-C223 WeakPolarHBondContact CB-SG 3.35Å; C202-C223 WeakPolarHBondContact SG-CB 3.35Å; C202-C223 CovalentContact SG-SG 2.03Å; C202-C223 PolarHBondContact SG-SG 2.84Å |
| 203 | V | 97.8 | Very high | 94.5 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.006 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 142.9 | 179.7 | -168.2 | 0 | 0 | 0 | 0 | 109.7 | I145 L152 I154 V167 A168 L192 T221 E222 | I145-V203 HydrophobicContact CD1-CB 3.72Å; I145-V203 HydrophobicContact CD1-CG2 3.95Å; L152-V203 HydrophobicContact CD1-CG2 4.32Å; L152-V203 HydrophobicContact CD2-CG2 3.77Å; L152-V203 HydrophobicContact CG-CG2 4.39Å; I154-V203 HydrophobicContact CD1-CG1 3.93Å; V167-V203 HydrophobicContact CG1-CG1 3.53Å; A168-V203 WeakPolarHBondContact O-CA 3.22Å; L192-V203 HydrophobicContact CD1-CG1 3.82Å; L192-V203 HydrophobicContact CD1-CG2 3.96Å; V203-T221 WeakPolarHBondContact O-CA 3.41Å; V203-E222 PolarHBondContact N-O 3.3Å; V203-E222 PolarHBondContact O-N 2.85Å |
| 204 | K | 97.7 | Very high | 94.6 | Very high | 33 Ų | 33 | 37.2 Ų | 37.2 | 14% | 0.143 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 150.2 | 168 | 66.8 | -168.9 | 178 | -157.2 | 0 | 108.9 | A168 W170 E178 F218 | A168-K204 HydrophobicContact CB-CG 3.99Å; A168-K204 PolarHBondContact N-O 2.93Å; A168-K204 PolarHBondContact O-N 2.83Å; A168-K204 VanDerWaalsContact O-O 3.13Å; W170-K204 HydrophobicContact CH2-CD 3.92Å; W170-K204 HydrophobicContact CH2-CG 4.3Å; W170-K204 HydrophobicContact CZ3-CD 3.91Å; W170-K204 HydrophobicContact CZ3-CG 3.97Å; E178-K204 IonicContact OE1-NZ 3.07Å; E178-K204 PolarHBondContact OE1-NZ 3.04Å; E178-K204 VanDerWaalsContact OE2-CE 3.3Å; E178-K204 WeakPolarHBondContact OE2-CE 2.92Å; E178-K204 IonicContact OE2-NZ 3.41Å; E178-K204 PolarHBondContact OE2-NZ 3.22Å; K204-F218 HydrophobicContact CB-CD1 4.18Å; K204-F218 HydrophobicContact CD-CB 4.47Å; K204-F218 HydrophobicContact CD-CD1 3.91Å; K204-F218 HydrophobicContact CD-CE1 4.31Å; K204-F218 HydrophobicContact CD-CG 4.14Å; K204-F218 HydrophobicContact CG-CD1 3.61Å; K204-F218 HydrophobicContact CG-CE1 4Å; K204-F218 HydrophobicContact CG-CG 4.28Å |
| 205 | A | 98 | Very high | 94.7 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 149.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | P141 M143 L156 L166 V167 F218 S219 | P141-A205 HydrophobicContact CG-CB 3.98Å; M143-A205 HydrophobicContact SD-CB 4.48Å; L156-A205 HydrophobicContact CD2-CB 3.67Å; L166-A205 WeakPolarHBondContact O-CA 3.43Å; V167-A205 HydrophobicContact CG2-CB 4.25Å; A205-F218 CarbonylContact O-C 3.49Å; A205-F218 WeakPolarHBondContact O-CA 3.35Å; A205-S219 PolarHBondContact N-OG 2.79Å; A205-S219 PolarHBondContact O-N 3.4Å; A205-S219 PolarHBondContact O-OG 2.83Å |
| 206 | Q | 97.8 | Very high | 95 | Very high | 26 Ų | 26 | 39.5 Ų | 39.5 | 12% | 0.121 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 156.5 | 169 | 65.3 | -179.6 | 9.9 | 0 | 0 | 109.7 | F165 L166 Y215 S216 F218 | F165-Q206 WeakPolarHBondContact CA-O 3.31Å; L166-Q206 HydrophobicContact CB-CG 4Å; L166-Q206 HydrophobicContact CD2-CG 4.42Å; L166-Q206 PolarHBondContact N-O 2.87Å; L166-Q206 PolarHBondContact O-N 3.3Å; Q206-Y215 HydrophobicContact CG-CD1 4.46Å; Q206-S216 PolarHBondContact OE1-O 2.97Å; Q206-F218 HydrophobicContact CB-CD1 3.87Å; Q206-F218 HydrophobicContact CB-CE1 4.11Å; Q206-F218 HydrophobicContact CB-CG 4.21Å; Q206-F218 VanDerWaalsContact CD-CZ 3.43Å; Q206-F218 HydrophobicContact CG-CD1 4.01Å; Q206-F218 HydrophobicContact CG-CE1 3.7Å; Q206-F218 HydrophobicContact CG-CE2 4.49Å; Q206-F218 HydrophobicContact CG-CZ 3.97Å |
| 207 | T | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 154.5 | 177.2 | 63.8 | 0 | 0 | 0 | 0 | 111.1 | P141 L159 F163 E164 F165 Y215 S216 | P141-T207 HydrophobicContact CB-CG2 3.73Å; P141-T207 HydrophobicContact CG-CG2 3.96Å; L159-T207 HydrophobicContact CD1-CG2 3.51Å; F163-T207 HydrophobicContact CD1-CG2 4.18Å; E164-T207 CarbonylContact O-C 3.59Å; E164-T207 WeakPolarHBondContact O-CA 3.36Å; F165-T207 HydrophobicContact CD1-CG2 3.86Å; F165-T207 HydrophobicContact CE1-CG2 3.76Å; T207-Y215 CarbonylContact O-C 2.85Å; T207-Y215 WeakPolarHBondContact O-CA 3.35Å; T207-S216 PolarHBondContact N-OG 2.75Å; T207-S216 PolarHBondContact O-N 2.61Å; T207-S216 WeakPolarHBondContact OG1-CB 3.12Å; T207-S216 PolarHBondContact OG1-OG 2.84Å |
| 208 | F | 97.2 | Very high | 95.8 | Very high | 33 Ų | 33 | 37.9 Ų | 37.9 | 15% | 0.145 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 125.7 | 172.5 | 176.9 | -120.3 | 0 | 0 | 0 | 109.4 | E164 M182 K210 Y215 | E164-F208 HydrophobicContact CB-CB 4.45Å; E164-F208 HydrophobicContact CB-CD1 4.36Å; E164-F208 PolarHBondContact N-O 2.94Å; E164-F208 PolarHBondContact O-N 2.94Å; M182-F208 HydrophobicContact CE-CD1 4.47Å; F208-K210 HydrophobicContact CE1-CB 4.13Å; F208-Y215 HydrophobicContact CB-CD1 3.71Å; F208-Y215 HydrophobicContact CB-CE1 3.55Å; F208-Y215 AromaticContact CD2-CD1 3.68Å; F208-Y215 HydrophobicContact CD2-CD1 3.68Å; F208-Y215 AromaticContact CD2-CD2 3.83Å; F208-Y215 HydrophobicContact CD2-CD2 3.83Å; F208-Y215 AromaticContact CD2-CE1 3.33Å; F208-Y215 HydrophobicContact CD2-CE1 3.33Å; F208-Y215 AromaticContact CD2-CE2 3.47Å; F208-Y215 HydrophobicContact CD2-CE2 3.47Å; F208-Y215 VanDerWaalsContact CD2-CE2 3.47Å; F208-Y215 AromaticContact CD2-CG 3.92Å; F208-Y215 HydrophobicContact CD2-CG 3.92Å; F208-Y215 AromaticContact CD2-CZ 3.2Å; F208-Y215 HydrophobicContact CE2-CD2 4.23Å; F208-Y215 HydrophobicContact CE2-CE1 4.17Å; F208-Y215 AromaticContact CE2-CE2 3.6Å; F208-Y215 HydrophobicContact CE2-CE2 3.6Å; F208-Y215 AromaticContact CE2-CZ 3.56Å; F208-Y215 HydrophobicContact CG-CD1 4.05Å; F208-Y215 AromaticContact CG-CE1 3.58Å; F208-Y215 HydrophobicContact CG-CE1 3.58Å; F208-Y215 HydrophobicContact CG-CE2 4.49Å; F208-Y215 AromaticContact CG-CZ 3.81Å |
| 209 | V | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 103.4 | 178 | -176.3 | 0 | 0 | 0 | 0 | 109.3 | M48 L138 F163 A211 I212 G213 R214 | M48-V209 HydrophobicContact CE-CG1 4.3Å; M48-V209 HydrophobicContact CG-CG1 3.89Å; M48-V209 HydrophobicContact CG-CG2 4.25Å; M48-V209 HydrophobicContact SD-CG1 3.84Å; L138-V209 HydrophobicContact CD1-CG2 4.22Å; L138-V209 HydrophobicContact CD2-CG2 3.81Å; F163-V209 HydrophobicContact CD1-CG2 3.58Å; F163-V209 HydrophobicContact CE1-CG2 3.32Å; F163-V209 HydrophobicContact CG-CG2 4.4Å; F163-V209 HydrophobicContact CZ-CG2 3.95Å; V209-A211 VanDerWaalsContact C-N 3.26Å; V209-A211 HydrophobicContact CG1-CB 4.26Å; V209-A211 PolarHBondContact O-N 2.9Å; V209-I212 HydrophobicContact CB-CD1 4.1Å; V209-I212 HydrophobicContact CB-CG1 3.78Å; V209-I212 HydrophobicContact CG1-CD1 4.15Å; V209-I212 HydrophobicContact CG1-CG1 3.77Å; V209-I212 PolarHBondContact O-N 3.23Å; V209-G213 PolarHBondContact O-N 2.89Å; V209-R214 PolarHBondContact N-O 2.97Å |
| 210 | K | 92.8 | Very high | 96.7 | Very high | 156 Ų | 156 | 43.9 Ų | 43.9 | 68% | 0.678 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -35.9 | -176.1 | -173.5 | 175.7 | -178.5 | 176.5 | 0 | 113.1 | F208 I212 G213 | F208-K210 HydrophobicContact CE1-CB 4.13Å; K210-I212 PolarHBondContact O-N 3.25Å; K210-G213 PolarHBondContact O-N 2.54Å |
| 211 | A | 93.7 | Very high | 96.8 | Very high | 31 Ų | 31 | 46.3 Ų | 46.3 | 26% | 0.256 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -27 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | T106 V209 | T106-A211 PolarHBondContact OG1-O 3.01Å; V209-A211 VanDerWaalsContact C-N 3.26Å; V209-A211 HydrophobicContact CG1-CB 4.26Å; V209-A211 PolarHBondContact O-N 2.9Å |
| 212 | I | 96.4 | Very high | 96.8 | Very high | 20 Ų | 20 | 49.5 Ų | 49.5 | 10% | 0.103 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -120.2 | -6.6 | -179.9 | 64.2 | 178.2 | 0 | 0 | 0 | 112.7 | M48 T106 R133 N134 T136 L138 V209 K210 R214 | M48-I212 HydrophobicContact CE-CG2 4.41Å; M48-I212 HydrophobicContact SD-CD1 3.98Å; M48-I212 HydrophobicContact SD-CG2 4.49Å; T106-I212 HydrophobicContact CG2-CG2 3.9Å; R133-I212 HydrophobicContact CG-CG2 4.01Å; N134-I212 HydrophobicContact CB-CG2 4.48Å; T136-I212 HydrophobicContact CG2-CD1 3.7Å; L138-I212 HydrophobicContact CD1-CD1 4.32Å; V209-I212 HydrophobicContact CB-CD1 4.1Å; V209-I212 HydrophobicContact CB-CG1 3.78Å; V209-I212 HydrophobicContact CG1-CD1 4.15Å; V209-I212 HydrophobicContact CG1-CG1 3.77Å; V209-I212 PolarHBondContact O-N 3.23Å; K210-I212 PolarHBondContact O-N 3.25Å; I212-R214 VanDerWaalsContact C-N 3.3Å; I212-R214 HydrophobicContact CD1-CB 4Å; I212-R214 HydrophobicContact CD1-CG 4.32Å; I212-R214 HydrophobicContact CG1-CB 3.94Å; I212-R214 HydrophobicContact CG1-CG 4.18Å; I212-R214 PolarHBondContact O-N 3.47Å |
| 213 | G | 95.9 | Very high | 96.8 | Very high | 49 Ų | 49 | 51.1 Ų | 51.1 | 51% | 0.505 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65 | 28.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | V209 K210 | V209-G213 PolarHBondContact O-N 2.89Å; K210-G213 PolarHBondContact O-N 2.54Å |
| 214 | R | 97.1 | Very high | 96.6 | Very high | 86 Ų | 86 | 52.2 Ų | 52.2 | 33% | 0.325 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 149.1 | -176.3 | -66.9 | 177.9 | 58.1 | -141.8 | -8.9 | 111.7 | N134 T136 L138 V209 I212 | N134-R214 PolarHBondContact O-NH1 3.49Å; N134-R214 WeakPolarHBondContact OD1-CD 3.37Å; T136-R214 PolarHBondContact O-NH1 3.01Å; L138-R214 HydrophobicContact CD1-CB 3.84Å; V209-R214 PolarHBondContact N-O 2.97Å; I212-R214 VanDerWaalsContact C-N 3.3Å; I212-R214 HydrophobicContact CD1-CB 4Å; I212-R214 HydrophobicContact CD1-CG 4.32Å; I212-R214 HydrophobicContact CG1-CB 3.94Å; I212-R214 HydrophobicContact CG1-CG 4.18Å; I212-R214 PolarHBondContact O-N 3.47Å |
| 215 | Y | 97.3 | Very high | 96.4 | Very high | 111 Ų | 111 | 55.1 Ų | 55.1 | 44% | 0.435 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 151.1 | 172.7 | -63.8 | -95.4 | 0 | 0 | 0 | 110.4 | L166 Q206 T207 F208 | L166-Y215 HydrophobicContact CD1-CE1 4.39Å; Q206-Y215 HydrophobicContact CG-CD1 4.46Å; T207-Y215 CarbonylContact O-C 2.85Å; T207-Y215 WeakPolarHBondContact O-CA 3.35Å; F208-Y215 HydrophobicContact CB-CD1 3.71Å; F208-Y215 HydrophobicContact CB-CE1 3.55Å; F208-Y215 AromaticContact CD2-CD1 3.68Å; F208-Y215 HydrophobicContact CD2-CD1 3.68Å; F208-Y215 AromaticContact CD2-CD2 3.83Å; F208-Y215 HydrophobicContact CD2-CD2 3.83Å; F208-Y215 AromaticContact CD2-CE1 3.33Å; F208-Y215 HydrophobicContact CD2-CE1 3.33Å; F208-Y215 AromaticContact CD2-CE2 3.47Å; F208-Y215 HydrophobicContact CD2-CE2 3.47Å; F208-Y215 VanDerWaalsContact CD2-CE2 3.47Å; F208-Y215 AromaticContact CD2-CG 3.92Å; F208-Y215 HydrophobicContact CD2-CG 3.92Å; F208-Y215 AromaticContact CD2-CZ 3.2Å; F208-Y215 HydrophobicContact CE2-CD2 4.23Å; F208-Y215 HydrophobicContact CE2-CE1 4.17Å; F208-Y215 AromaticContact CE2-CE2 3.6Å; F208-Y215 HydrophobicContact CE2-CE2 3.6Å; F208-Y215 AromaticContact CE2-CZ 3.56Å; F208-Y215 HydrophobicContact CG-CD1 4.05Å; F208-Y215 AromaticContact CG-CE1 3.58Å; F208-Y215 HydrophobicContact CG-CE1 3.58Å; F208-Y215 HydrophobicContact CG-CE2 4.49Å; F208-Y215 AromaticContact CG-CZ 3.81Å |
| 216 | S | 97.8 | Very high | 95.9 | Very high | 9 Ų | 9 | 55.8 Ų | 55.8 | 6% | 0.063 | 29% | 0.293 | C | S | . | . | trans | -79.1 | 175.5 | 164.2 | 71.5 | 0 | 0 | 0 | 0 | 111.4 | T139 Q206 T207 | T139-S216 WeakPolarHBondContact O-CB 3.08Å; T139-S216 PolarHBondContact O-OG 2.83Å; Q206-S216 PolarHBondContact OE1-O 2.97Å; T207-S216 PolarHBondContact N-OG 2.75Å; T207-S216 PolarHBondContact O-N 2.61Å; T207-S216 WeakPolarHBondContact OG1-CB 3.12Å; T207-S216 PolarHBondContact OG1-OG 2.84Å | ||
| 217 | A | 97.7 | Very high | 95.2 | Very high | 64 Ų | 64 | 62.9 Ų | 62.9 | 53% | 0.529 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -70.7 | 154.8 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | P140 | P140-A217 WeakPolarHBondContact CB-O 3.36Å; P140-A217 HydrophobicContact CG-CB 4.23Å |
| 218 | F | 97.8 | Very high | 93.8 | Very high | 81 Ų | 81 | 64.4 Ų | 64.4 | 36% | 0.355 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 145 | 171.6 | -77.9 | -77.7 | 0 | 0 | 0 | 112 | L166 A168 K204 A205 Q206 | L166-F218 HydrophobicContact CD2-CE1 4.08Å; L166-F218 HydrophobicContact CD2-CZ 4.11Å; A168-F218 HydrophobicContact CB-CE1 4.36Å; K204-F218 HydrophobicContact CB-CD1 4.18Å; K204-F218 HydrophobicContact CD-CB 4.47Å; K204-F218 HydrophobicContact CD-CD1 3.91Å; K204-F218 HydrophobicContact CD-CE1 4.31Å; K204-F218 HydrophobicContact CD-CG 4.14Å; K204-F218 HydrophobicContact CG-CD1 3.61Å; K204-F218 HydrophobicContact CG-CE1 4Å; K204-F218 HydrophobicContact CG-CG 4.28Å; A205-F218 CarbonylContact O-C 3.49Å; A205-F218 WeakPolarHBondContact O-CA 3.35Å; Q206-F218 HydrophobicContact CB-CD1 3.87Å; Q206-F218 HydrophobicContact CB-CE1 4.11Å; Q206-F218 HydrophobicContact CB-CG 4.21Å; Q206-F218 VanDerWaalsContact CD-CZ 3.43Å; Q206-F218 HydrophobicContact CG-CD1 4.01Å; Q206-F218 HydrophobicContact CG-CE1 3.7Å; Q206-F218 HydrophobicContact CG-CE2 4.49Å; Q206-F218 HydrophobicContact CG-CZ 3.97Å |
| 219 | S | 97.7 | Very high | 92.3 | Very high | 14 Ų | 14 | 71.7 Ų | 71.7 | 10% | 0.098 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 165.7 | 165.6 | 64.9 | 0 | 0 | 0 | 0 | 110.7 | M143 A205 | M143-S219 PolarHBondContact SD-OG 3Å; A205-S219 PolarHBondContact N-OG 2.79Å; A205-S219 PolarHBondContact O-N 3.4Å; A205-S219 PolarHBondContact O-OG 2.83Å |
| 220 | Q | 96.7 | Very high | 90.5 | Very high | 169 Ų | 169 | 75.8 Ų | 75.8 | 79% | 0.79 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 142.5 | 170.1 | -69.9 | -158.4 | -0.7 | 0 | 0 | 109.9 | M143 E222 | M143-Q220 WeakPolarHBondContact CE-O 2.97Å; Q220-E222 PolarHBondContact O-N 2.77Å |
| 221 | T | 96.9 | Very high | 89 | Confident | 68 Ų | 68 | 74.3 Ų | 74.3 | 42% | 0.417 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -74.2 | 122.1 | 177 | -57.5 | 0 | 0 | 0 | 0 | 109.6 | W170 C202 V203 | W170-T221 HydrophobicContact CH2-CG2 3.49Å; W170-T221 VanDerWaalsContact CH2-CG2 3.49Å; W170-T221 HydrophobicContact CZ2-CG2 3.75Å; C202-T221 HydrophobicContact CB-CG2 3.83Å; V203-T221 WeakPolarHBondContact O-CA 3.41Å |
| 222 | E | 96.5 | Very high | 88 | Confident | 84 Ų | 84 | 75.9 Ų | 75.9 | 39% | 0.393 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 143.6 | 172.7 | -72.7 | 178.4 | -142.7 | 0 | 0 | 109.7 | M143 I145 C202 V203 Q220 | M143-E222 HydrophobicContact CE-CB 3.55Å; M143-E222 VanDerWaalsContact CE-CD 3.48Å; M143-E222 HydrophobicContact CE-CG 3.44Å; M143-E222 VanDerWaalsContact CE-CG 3.44Å; M143-E222 WeakPolarHBondContact CE-OE1 3.4Å; I145-E222 HydrophobicContact CD1-CB 3.49Å; I145-E222 VanDerWaalsContact CD1-CB 3.49Å; I145-E222 HydrophobicContact CG1-CB 4.46Å; C202-E222 CarbonylContact C-O 3.57Å; C202-E222 WeakPolarHBondContact CA-O 3.18Å; V203-E222 PolarHBondContact N-O 3.3Å; V203-E222 PolarHBondContact O-N 2.85Å; Q220-E222 PolarHBondContact O-N 2.77Å |
| 223 | C | 95.1 | Very high | 86.7 | Confident | 38 Ų | 38 | 81.8 Ų | 81.8 | 26% | 0.257 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 139.1 | -177.9 | -45.6 | 0 | 0 | 0 | 0 | 111.7 | R172 Y201 C202 | R172-C223 PolarHBondContact NH2-SG 3.3Å; Y201-C223 CarbonylContact O-C 3.54Å; Y201-C223 WeakPolarHBondContact O-CA 3.48Å; Y201-C223 WeakPolarHBondContact O-CB 3.37Å; C202-C223 WeakPolarHBondContact CA-SG 3.4Å; C202-C223 HydrophobicContact CB-CB 4.03Å; C202-C223 WeakPolarHBondContact CB-SG 3.35Å; C202-C223 WeakPolarHBondContact SG-CB 3.35Å; C202-C223 CovalentContact SG-SG 2.03Å; C202-C223 PolarHBondContact SG-SG 2.84Å |
| 224 | V | 94.5 | Very high | 85.6 | Confident | 25 Ų | 25 | 83.4 Ų | 83.4 | 15% | 0.152 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 149.2 | -177.1 | -64.7 | 0 | 0 | 0 | 0 | 110.1 | I145 K147 L152 M195 A200 Y201 | I145-V224 HydrophobicContact CB-CG1 4.4Å; I145-V224 HydrophobicContact CG2-CG1 3.85Å; I145-V224 HydrophobicContact CG2-CG2 3.86Å; K147-V224 HydrophobicContact CD-CB 4.07Å; K147-V224 HydrophobicContact CD-CG2 4.33Å; K147-V224 HydrophobicContact CG-CB 4.44Å; K147-V224 HydrophobicContact CG-CG2 4.32Å; L152-V224 HydrophobicContact CD1-CG2 3.44Å; L152-V224 VanDerWaalsContact CD1-CG2 3.44Å; M195-V224 HydrophobicContact SD-CG2 4Å; A200-V224 CarbonylContact C-O 3.56Å; A200-V224 WeakPolarHBondContact CA-O 3.28Å; Y201-V224 PolarHBondContact N-O 3.43Å; Y201-V224 PolarHBondContact O-N 2.84Å |
| 225 | E | 92.6 | Very high | 84.8 | Confident | 93 Ų | 93 | 84.3 Ų | 84.3 | 44% | 0.435 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 146.6 | 176.2 | -176.7 | -179.2 | 158.5 | 0 | 0 | 108.9 | K147 G198 A200 | K147-E225 PolarHBondContact NZ-O 2.85Å; G198-E225 WeakPolarHBondContact CA-OE1 3.42Å; A200-E225 HydrophobicContact CB-CB 4.25Å |
| 226 | V | 88.6 | Confident | 84.2 | Confident | 15 Ų | 15 | 81.6 Ų | 81.6 | 9% | 0.091 | 46% | 0.457 | C | S | . | . | trans | -105.9 | 124.4 | 170.8 | -178.4 | 0 | 0 | 0 | 0 | 108.3 | K147 F150 M195 P197 G198 G228 | K147-V226 HydrophobicContact CD-CG2 3.9Å; F150-V226 HydrophobicContact CD1-CB 4.27Å; F150-V226 HydrophobicContact CD1-CG1 3.58Å; F150-V226 HydrophobicContact CE1-CG1 3.56Å; M195-V226 HydrophobicContact CB-CG2 4.21Å; M195-V226 HydrophobicContact CE-CG2 3.2Å; M195-V226 HydrophobicContact SD-CG2 3.77Å; P197-V226 WeakPolarHBondContact CA-O 2.94Å; G198-V226 PolarHBondContact N-O 2.76Å; V226-G228 PolarHBondContact O-N 2.87Å | ||
| 227 | Q | 82.1 | Confident | 83.7 | Confident | 174 Ų | 174 | 86.2 Ų | 86.2 | 81% | 0.813 | 48% | 0.481 | S | S | * | . | trans | -74.8 | 123.4 | 169.3 | -67.1 | -170.5 | 14.5 | 0 | 0 | 108.2 | ||||
| 228 | G | 68.9 | Low | 83.2 | Confident | 32 Ų | 32 | 90.1 Ų | 90.1 | 33% | 0.33 | 49% | 0.486 | S | S | . | . | trans | -70.9 | 130.9 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109 | V226 A230 | V226-G228 PolarHBondContact O-N 2.87Å; G228-A230 PolarHBondContact O-N 2.8Å | ||
| 229 | E | 64.5 | Low | 82.8 | Confident | 187 Ų | 187 | 89.5 Ų | 89.5 | 87% | 0.874 | 50% | 0.496 | S | S | * | . | trans | -65.7 | 87.2 | 155.7 | -70.6 | -167.1 | 165.7 | 0 | 0 | 107.1 | I231 | E229-I231 PolarHBondContact O-N 2.61Š| ||
| 230 | A | 60 | Low | 82.5 | Confident | 85 Ų | 85 | 94.6 Ų | 94.6 | 70% | 0.702 | 52% | 0.517 | S | S | * | . | trans | -64.8 | 95.1 | 164 | 0 | 0 | 0 | 0 | 0 | 105.5 | G228 P232 | G228-A230 PolarHBondContact O-N 2.8Å; A230-P232 WeakPolarHBondContact O-CD 3.33Å | ||
| 231 | I | 61.6 | Low | 82.4 | Confident | 125 Ų | 125 | 90.3 Ų | 90.3 | 64% | 0.641 | 50% | 0.502 | S | S | * | . | trans | -50.3 | 112.9 | 161.2 | -62.7 | 173.5 | 0 | 0 | 0 | 103.7 | E229 L233 L235 | E229-I231 PolarHBondContact O-N 2.61Å; I231-L233 PolarHBondContact O-N 2.95Å; I231-L235 HydrophobicContact CG2-CB 4.24Å | ||
| 232 | P | 71.7 | Confident | 82.3 | Confident | 64 Ų | 64 | 88.4 Ų | 88.4 | 42% | 0.416 | 50% | 0.496 | S | S | . | . | trans | -55 | 127.4 | -174.8 | -25.3 | 33.9 | 0 | 0 | 0 | 106.2 | A230 V234 L235 A236 | A230-P232 WeakPolarHBondContact O-CD 3.33Å; P232-V234 HydrophobicContact CB-CB 4.07Å; P232-V234 CarbonylContact O-C 3.52Å; P232-V234 PolarHBondContact O-N 3.35Å; P232-L235 HydrophobicContact CB-CB 4.39Å; P232-L235 HydrophobicContact CG-CD1 3.94Å; P232-L235 WeakPolarHBondContact O-CA 3.12Å; P232-L235 WeakPolarHBondContact O-CB 3.31Å; P232-L235 PolarHBondContact O-N 2.96Å; P232-A236 PolarHBondContact O-N 2.95Å | ||
| 233 | L | 69.8 | Low | 82.2 | Confident | 144 Ų | 144 | 90.1 Ų | 90.1 | 75% | 0.754 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -46.8 | -31.8 | 173.1 | -80.7 | 162.4 | 0 | 0 | 0 | 110.6 | I231 A236 L237 | I231-L233 PolarHBondContact O-N 2.95Å; L233-A236 PolarHBondContact O-N 2.9Å; L233-L237 WeakPolarHBondContact O-CB 3.44Å; L233-L237 WeakPolarHBondContact O-CD1 3.21Å; L233-L237 WeakPolarHBondContact O-CG 3.45Å; L233-L237 PolarHBondContact O-N 3.46Å |
| 234 | V | 73.9 | Confident | 82.2 | Confident | 83 Ų | 83 | 92.6 Ų | 92.6 | 50% | 0.503 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -53.1 | -47.3 | 169.7 | 180 | 0 | 0 | 0 | 0 | 113.9 | P232 L237 F238 | P232-V234 HydrophobicContact CB-CB 4.07Å; P232-V234 CarbonylContact O-C 3.52Å; P232-V234 PolarHBondContact O-N 3.35Å; V234-L237 PolarHBondContact O-N 2.94Å; V234-F238 HydrophobicContact CG1-CD2 3.66Å; V234-F238 HydrophobicContact CG1-CE2 3.22Å; V234-F238 HydrophobicContact CG1-CZ 4.13Å; V234-F238 WeakPolarHBondContact O-CD2 3.43Å; V234-F238 WeakPolarHBondContact O-CG 3.44Å; V234-F238 PolarHBondContact O-N 3.05Å |
| 235 | L | 80.3 | Confident | 82.2 | Confident | 106 Ų | 106 | 96.4 Ų | 96.4 | 56% | 0.555 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -67.6 | -41.3 | 177.7 | -106.2 | 157.6 | 0 | 0 | 0 | 112.1 | I231 P232 F238 A239 | I231-L235 HydrophobicContact CG2-CB 4.24Å; P232-L235 HydrophobicContact CB-CB 4.39Å; P232-L235 HydrophobicContact CG-CD1 3.94Å; P232-L235 WeakPolarHBondContact O-CA 3.12Å; P232-L235 WeakPolarHBondContact O-CB 3.31Å; P232-L235 PolarHBondContact O-N 2.96Å; L235-F238 PolarHBondContact O-N 3.11Å; L235-A239 PolarHBondContact O-N 2.86Å |
| 236 | A | 83.6 | Confident | 82.2 | Confident | 53 Ų | 53 | 96.8 Ų | 96.8 | 44% | 0.438 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.7 | -40 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | P232 L233 A239 F240 | P232-A236 PolarHBondContact O-N 2.95Å; L233-A236 PolarHBondContact O-N 2.9Å; A236-A239 PolarHBondContact O-N 2.01Å; A236-F240 WeakPolarHBondContact O-CB 3.45Å; A236-F240 PolarHBondContact O-N 3.27Å |
| 237 | L | 87.3 | Confident | 82.5 | Confident | 107 Ų | 107 | 100.5 Ų | 100.5 | 56% | 0.56 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.8 | -44.6 | 173.6 | -75.7 | 166.5 | 0 | 0 | 0 | 111.7 | L233 V234 A239 F240 V241 | L233-L237 WeakPolarHBondContact O-CB 3.44Å; L233-L237 WeakPolarHBondContact O-CD1 3.21Å; L233-L237 WeakPolarHBondContact O-CG 3.45Å; L233-L237 PolarHBondContact O-N 3.46Å; V234-L237 PolarHBondContact O-N 2.94Å; L237-A239 PolarHBondContact O-N 3.42Å; L237-F240 PolarHBondContact O-N 2.92Å; L237-V241 WeakPolarHBondContact O-CG2 3.45Å; L237-V241 PolarHBondContact O-N 2.88Å |
| 238 | F | 87.8 | Confident | 83 | Confident | 146 Ų | 146 | 96.4 Ų | 96.4 | 64% | 0.64 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.4 | -41.6 | 176.4 | -76.6 | -53.8 | 0 | 0 | 0 | 112.4 | V234 L235 V241 G242 | V234-F238 HydrophobicContact CG1-CD2 3.66Å; V234-F238 HydrophobicContact CG1-CE2 3.22Å; V234-F238 HydrophobicContact CG1-CZ 4.13Å; V234-F238 WeakPolarHBondContact O-CD2 3.43Å; V234-F238 WeakPolarHBondContact O-CG 3.44Å; V234-F238 PolarHBondContact O-N 3.05Å; L235-F238 PolarHBondContact O-N 3.11Å; F238-V241 PolarHBondContact O-N 2.95Å; F238-G242 PolarHBondContact O-N 2.53Å |
| 239 | A | 89.9 | Confident | 84.1 | Confident | 67 Ų | 67 | 99 Ų | 99 | 55% | 0.554 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -62.1 | -42.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L235 A236 L237 G242 F243 | L235-A239 PolarHBondContact O-N 2.86Å; A236-A239 PolarHBondContact O-N 2.01Å; L237-A239 PolarHBondContact O-N 3.42Å; A239-G242 PolarHBondContact O-N 2.84Å; A239-F243 WeakPolarHBondContact O-CB 3.38Å; A239-F243 PolarHBondContact O-N 2.97Å |
| 240 | F | 91.3 | Very high | 85.5 | Confident | 122 Ų | 122 | 94 Ų | 94 | 54% | 0.535 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.1 | -45.4 | 178 | -177.3 | -98.9 | 0 | 0 | 0 | 112.7 | A236 L237 F243 M244 | A236-F240 WeakPolarHBondContact O-CB 3.45Å; A236-F240 PolarHBondContact O-N 3.27Å; L237-F240 PolarHBondContact O-N 2.92Å; F240-F243 PolarHBondContact O-N 2.92Å; F240-M244 HydrophobicContact CD1-CG 4.5Å; F240-M244 HydrophobicContact CE1-CE 3.99Å; F240-M244 HydrophobicContact CE1-CG 4.16Å; F240-M244 HydrophobicContact CE2-CE 3.79Å; F240-M244 HydrophobicContact CZ-CE 3.33Å; F240-M244 HydrophobicContact CZ-CG 4.35Å; F240-M244 WeakPolarHBondContact O-CG 3.35Å; F240-M244 PolarHBondContact O-N 2.9Å |
| 241 | V | 94.1 | Very high | 87 | Confident | 79 Ų | 79 | 93.5 Ų | 93.5 | 48% | 0.479 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 176.1 | 173 | 0 | 0 | 0 | 0 | 110.8 | L237 F238 F243 M244 L245 | L237-V241 WeakPolarHBondContact O-CG2 3.45Å; L237-V241 PolarHBondContact O-N 2.88Å; F238-V241 PolarHBondContact O-N 2.95Å; V241-F243 VanDerWaalsContact C-N 3.33Å; V241-F243 PolarHBondContact O-N 2.81Å; V241-M244 PolarHBondContact O-N 3.05Å; V241-L245 HydrophobicContact CG1-CD1 4.13Å; V241-L245 HydrophobicContact CG1-CG 4.49Å; V241-L245 WeakPolarHBondContact O-CG 3.37Å; V241-L245 PolarHBondContact O-N 2.94Å |
| 242 | G | 94.1 | Very high | 88.3 | Confident | 28 Ų | 28 | 92.8 Ų | 92.8 | 29% | 0.289 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.4 | -44.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | F238 A239 L245 I246 | F238-G242 PolarHBondContact O-N 2.53Å; A239-G242 PolarHBondContact O-N 2.84Å; G242-L245 PolarHBondContact O-N 2.93Å; G242-I246 WeakPolarHBondContact O-CG1 3.14Å; G242-I246 PolarHBondContact O-N 2.72Å |
| 243 | F | 94.4 | Very high | 89.1 | Confident | 119 Ų | 119 | 95.9 Ų | 95.9 | 52% | 0.522 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.8 | -44.4 | 176.4 | -176.4 | -104.5 | 0 | 0 | 0 | 112.5 | A239 F240 V241 L245 I246 L247 | A239-F243 WeakPolarHBondContact O-CB 3.38Å; A239-F243 PolarHBondContact O-N 2.97Å; F240-F243 PolarHBondContact O-N 2.92Å; V241-F243 VanDerWaalsContact C-N 3.33Å; V241-F243 PolarHBondContact O-N 2.81Å; F243-L245 VanDerWaalsContact C-N 3.34Å; F243-L245 PolarHBondContact O-N 2.74Å; F243-I246 PolarHBondContact O-N 2.91Å; F243-L247 HydrophobicContact CD1-CD1 3.95Å; F243-L247 HydrophobicContact CD1-CG 4.45Å; F243-L247 HydrophobicContact CE1-CD1 3.51Å; F243-L247 HydrophobicContact CE1-CG 4.13Å; F243-L247 HydrophobicContact CZ-CD1 4.06Å; F243-L247 HydrophobicContact CZ-CD2 4.4Å; F243-L247 HydrophobicContact CZ-CG 4.3Å; F243-L247 PolarHBondContact O-N 2.88Å |
| 244 | M | 95 | Very high | 90 | Very high | 90 Ų | 90 | 93.4 Ų | 93.4 | 44% | 0.443 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.7 | -39.3 | 176.5 | -72.1 | -63.5 | -175.4 | 0 | 0 | 112.5 | F240 V241 L247 V248 | F240-M244 HydrophobicContact CD1-CG 4.5Å; F240-M244 HydrophobicContact CE1-CE 3.99Å; F240-M244 HydrophobicContact CE1-CG 4.16Å; F240-M244 HydrophobicContact CE2-CE 3.79Å; F240-M244 HydrophobicContact CZ-CE 3.33Å; F240-M244 HydrophobicContact CZ-CG 4.35Å; F240-M244 WeakPolarHBondContact O-CG 3.35Å; F240-M244 PolarHBondContact O-N 2.9Å; V241-M244 PolarHBondContact O-N 3.05Å; M244-L247 PolarHBondContact O-N 3.1Å; M244-L247 HydrophobicContact SD-CD1 4.29Å; M244-V248 WeakPolarHBondContact O-CG2 3.31Å; M244-V248 PolarHBondContact O-N 2.97Å |
| 245 | L | 94.3 | Very high | 90.6 | Very high | 105 Ų | 105 | 97.4 Ų | 97.4 | 55% | 0.55 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.8 | -41.3 | 175.8 | -72.9 | 171 | 0 | 0 | 0 | 111.7 | V241 G242 F243 L247 V248 V249 | V241-L245 HydrophobicContact CG1-CD1 4.13Å; V241-L245 HydrophobicContact CG1-CG 4.49Å; V241-L245 WeakPolarHBondContact O-CG 3.37Å; V241-L245 PolarHBondContact O-N 2.94Å; G242-L245 PolarHBondContact O-N 2.93Å; F243-L245 VanDerWaalsContact C-N 3.34Å; F243-L245 PolarHBondContact O-N 2.74Å; L245-L247 VanDerWaalsContact C-N 3.34Å; L245-L247 PolarHBondContact O-N 2.93Å; L245-V248 PolarHBondContact O-N 2.88Å; L245-V249 WeakPolarHBondContact O-CB 3.41Å; L245-V249 VanDerWaalsContact O-CG2 3.26Å; L245-V249 WeakPolarHBondContact O-CG2 3.06Å; L245-V249 PolarHBondContact O-N 2.87Å |
| 246 | I | 93.8 | Very high | 91 | Very high | 101 Ų | 101 | 99 Ų | 99 | 52% | 0.518 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.5 | -44.1 | 176.3 | -67.7 | 165.7 | 0 | 0 | 0 | 110.6 | G242 F243 V248 V249 V250 | G242-I246 WeakPolarHBondContact O-CG1 3.14Å; G242-I246 PolarHBondContact O-N 2.72Å; F243-I246 PolarHBondContact O-N 2.91Å; I246-V248 PolarHBondContact O-N 2.94Å; I246-V249 PolarHBondContact O-N 2.82Å; I246-V250 HydrophobicContact CG2-CG2 3.85Å; I246-V250 WeakPolarHBondContact O-CB 3.34Å; I246-V250 WeakPolarHBondContact O-CG2 3.02Å; I246-V250 PolarHBondContact O-N 3.5Å |
| 247 | L | 93.3 | Very high | 90.9 | Very high | 94 Ų | 94 | 100.7 Ų | 100.7 | 49% | 0.492 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.6 | -24.3 | 177.4 | -72.9 | 179.2 | 0 | 0 | 0 | 113.8 | F243 M244 L245 P251 | F243-L247 HydrophobicContact CD1-CD1 3.95Å; F243-L247 HydrophobicContact CD1-CG 4.45Å; F243-L247 HydrophobicContact CE1-CD1 3.51Å; F243-L247 HydrophobicContact CE1-CG 4.13Å; F243-L247 HydrophobicContact CZ-CD1 4.06Å; F243-L247 HydrophobicContact CZ-CD2 4.4Å; F243-L247 HydrophobicContact CZ-CG 4.3Å; F243-L247 PolarHBondContact O-N 2.88Å; M244-L247 PolarHBondContact O-N 3.1Å; M244-L247 HydrophobicContact SD-CD1 4.29Å; L245-L247 VanDerWaalsContact C-N 3.34Å; L245-L247 PolarHBondContact O-N 2.93Å; L247-P251 WeakPolarHBondContact O-CD 3.13Å; L247-P251 WeakPolarHBondContact O-CG 3.25Å |
| 248 | V | 92.8 | Very high | 90.5 | Very high | 87 Ų | 87 | 97.4 Ų | 97.4 | 53% | 0.527 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -92.4 | -45.6 | 177 | 176.6 | 0 | 0 | 0 | 0 | 111.3 | M244 L245 I246 P251 L252 | M244-V248 WeakPolarHBondContact O-CG2 3.31Å; M244-V248 PolarHBondContact O-N 2.97Å; L245-V248 PolarHBondContact O-N 2.88Å; I246-V248 PolarHBondContact O-N 2.94Å; V248-P251 WeakPolarHBondContact O-CD 3.3Å; V248-L252 HydrophobicContact CG1-CD1 3.79Å; V248-L252 WeakPolarHBondContact O-CB 3.41Å; V248-L252 VanDerWaalsContact O-CG 3.22Å; V248-L252 WeakPolarHBondContact O-CG 3.15Å; V248-L252 PolarHBondContact O-N 2.79Å |
| 249 | V | 93.1 | Very high | 90 | Very high | 88 Ų | 88 | 97 Ų | 97 | 53% | 0.533 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.9 | -40.1 | -174.1 | 174.6 | 0 | 0 | 0 | 0 | 111.6 | L245 I246 L252 F253 | L245-V249 WeakPolarHBondContact O-CB 3.41Å; L245-V249 VanDerWaalsContact O-CG2 3.26Å; L245-V249 WeakPolarHBondContact O-CG2 3.06Å; L245-V249 PolarHBondContact O-N 2.87Å; I246-V249 PolarHBondContact O-N 2.82Å; V249-L252 PolarHBondContact O-N 3.25Å; V249-F253 VanDerWaalsContact O-CB 3.27Å; V249-F253 WeakPolarHBondContact O-CB 3.35Å; V249-F253 PolarHBondContact O-N 3.4Å |
| 250 | V | 93.3 | Very high | 89.3 | Confident | 81 Ų | 81 | 98.6 Ų | 98.6 | 49% | 0.491 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.6 | -49.9 | -177.8 | 173.8 | 0 | 0 | 0 | 0 | 111.7 | I246 L252 F253 V254 | I246-V250 HydrophobicContact CG2-CG2 3.85Å; I246-V250 WeakPolarHBondContact O-CB 3.34Å; I246-V250 WeakPolarHBondContact O-CG2 3.02Å; I246-V250 PolarHBondContact O-N 3.5Å; V250-L252 PolarHBondContact O-N 3.21Å; V250-F253 PolarHBondContact O-N 2.81Å; V250-V254 HydrophobicContact CG1-CG2 4.36Å; V250-V254 VanDerWaalsContact O-CG2 3.28Å; V250-V254 WeakPolarHBondContact O-CG2 3.14Å; V250-V254 PolarHBondContact O-N 2.93Å |
| 251 | P | 90.9 | Very high | 88.2 | Confident | 74 Ų | 74 | 98.3 Ų | 98.3 | 48% | 0.481 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.8 | -38.2 | 175.8 | -25.6 | 36.9 | 0 | 0 | 0 | 113.5 | L247 V248 F253 V254 W255 | L247-P251 WeakPolarHBondContact O-CD 3.13Å; L247-P251 WeakPolarHBondContact O-CG 3.25Å; V248-P251 WeakPolarHBondContact O-CD 3.3Å; P251-F253 VanDerWaalsContact C-N 3.33Å; P251-V254 PolarHBondContact O-N 3.41Å; P251-W255 WeakPolarHBondContact O-CB 3.48Å; P251-W255 PolarHBondContact O-N 3.23Å |
| 252 | L | 89.3 | Confident | 86.7 | Confident | 111 Ų | 111 | 101.6 Ų | 101.6 | 58% | 0.581 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65 | -38.9 | 175.8 | -71.6 | 175.7 | 0 | 0 | 0 | 111.8 | V248 V249 V250 K256 | V248-L252 HydrophobicContact CG1-CD1 3.79Å; V248-L252 WeakPolarHBondContact O-CB 3.41Å; V248-L252 VanDerWaalsContact O-CG 3.22Å; V248-L252 WeakPolarHBondContact O-CG 3.15Å; V248-L252 PolarHBondContact O-N 2.79Å; V249-L252 PolarHBondContact O-N 3.25Å; V250-L252 PolarHBondContact O-N 3.21Å; L252-K256 VanDerWaalsContact O-CB 3.24Å; L252-K256 WeakPolarHBondContact O-CB 3.18Å; L252-K256 PolarHBondContact O-N 2.87Å |
| 253 | F | 88.2 | Confident | 85.1 | Confident | 129 Ų | 129 | 109 Ų | 109 | 57% | 0.566 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.3 | -46.9 | 175.2 | -173.9 | -97.9 | 0 | 0 | 0 | 111.1 | V249 V250 P251 W255 K256 M257 | V249-F253 VanDerWaalsContact O-CB 3.27Å; V249-F253 WeakPolarHBondContact O-CB 3.35Å; V249-F253 PolarHBondContact O-N 3.4Å; V250-F253 PolarHBondContact O-N 2.81Å; P251-F253 VanDerWaalsContact C-N 3.33Å; F253-W255 VanDerWaalsContact C-N 3.35Å; F253-W255 PolarHBondContact O-N 3.13Å; F253-K256 PolarHBondContact O-N 3.45Å; F253-M257 HydrophobicContact CD1-CG 3.99Å; F253-M257 HydrophobicContact CE1-CG 3.66Å; F253-M257 HydrophobicContact CE1-SD 4.46Å; F253-M257 HydrophobicContact CE2-CG 4.23Å; F253-M257 HydrophobicContact CE2-SD 4.4Å; F253-M257 HydrophobicContact CG-CG 4.41Å; F253-M257 HydrophobicContact CZ-CE 4.49Å; F253-M257 HydrophobicContact CZ-CG 3.79Å; F253-M257 HydrophobicContact CZ-SD 4.03Å; F253-M257 WeakPolarHBondContact O-CB 3.49Å; F253-M257 VanDerWaalsContact O-CG 3.23Å; F253-M257 WeakPolarHBondContact O-CG 3.21Å; F253-M257 PolarHBondContact O-N 3.48Å |
| 254 | V | 89.7 | Confident | 83.4 | Confident | 92 Ų | 92 | 108 Ų | 108 | 56% | 0.558 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -59 | -45.3 | 174.7 | 172.2 | 0 | 0 | 0 | 0 | 111 | V250 P251 M257 G258 | V250-V254 HydrophobicContact CG1-CG2 4.36Å; V250-V254 VanDerWaalsContact O-CG2 3.28Å; V250-V254 WeakPolarHBondContact O-CG2 3.14Å; V250-V254 PolarHBondContact O-N 2.93Å; P251-V254 PolarHBondContact O-N 3.41Å; V254-M257 PolarHBondContact O-N 3.21Å; V254-G258 PolarHBondContact O-N 3.41Å |
| 255 | W | 87.1 | Confident | 81.5 | Confident | 167 Ų | 167 | 108.7 Ų | 108.7 | 63% | 0.633 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -60 | -47.1 | 175.7 | -177.8 | -62.7 | 0 | 0 | 0 | 111.7 | P251 F253 G258 R259 | P251-W255 WeakPolarHBondContact O-CB 3.48Å; P251-W255 PolarHBondContact O-N 3.23Å; F253-W255 VanDerWaalsContact C-N 3.35Å; F253-W255 PolarHBondContact O-N 3.13Å; W255-G258 PolarHBondContact O-N 2.82Å; W255-R259 PolarHBondContact O-N 2.87Å |
| 256 | K | 87.1 | Confident | 79.6 | Confident | 140 Ų | 140 | 108.4 Ų | 108.4 | 61% | 0.609 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66.3 | -42.2 | -179.1 | -173.5 | 175.1 | 180 | 177.3 | 0 | 111.6 | L252 F253 R259 L260 | L252-K256 VanDerWaalsContact O-CB 3.24Å; L252-K256 WeakPolarHBondContact O-CB 3.18Å; L252-K256 PolarHBondContact O-N 2.87Å; F253-K256 PolarHBondContact O-N 3.45Å; K256-R259 PolarHBondContact O-N 3.48Å; K256-L260 HydrophobicContact CG-CD1 4.17Å; K256-L260 PolarHBondContact O-N 2.96Å |
| 257 | M | 82.2 | Confident | 77.4 | Confident | 88 Ų | 88 | 108.5 Ų | 108.5 | 43% | 0.433 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.8 | -39.5 | 175.3 | -68.8 | -61.4 | -78.6 | 0 | 0 | 111.5 | F253 V254 L260 L261 | F253-M257 HydrophobicContact CD1-CG 3.99Å; F253-M257 HydrophobicContact CE1-CG 3.66Å; F253-M257 HydrophobicContact CE1-SD 4.46Å; F253-M257 HydrophobicContact CE2-CG 4.23Å; F253-M257 HydrophobicContact CE2-SD 4.4Å; F253-M257 HydrophobicContact CG-CG 4.41Å; F253-M257 HydrophobicContact CZ-CE 4.49Å; F253-M257 HydrophobicContact CZ-CG 3.79Å; F253-M257 HydrophobicContact CZ-SD 4.03Å; F253-M257 WeakPolarHBondContact O-CB 3.49Å; F253-M257 VanDerWaalsContact O-CG 3.23Å; F253-M257 WeakPolarHBondContact O-CG 3.21Å; F253-M257 PolarHBondContact O-N 3.48Å; V254-M257 PolarHBondContact O-N 3.21Å; M257-L260 PolarHBondContact O-N 2.92Å; M257-L261 WeakPolarHBondContact O-CB 3.39Å; M257-L261 WeakPolarHBondContact O-CG 3.35Å; M257-L261 PolarHBondContact O-N 2.94Å |
| 258 | G | 80.1 | Confident | 75.3 | Confident | 37 Ų | 37 | 110.4 Ų | 110.4 | 38% | 0.381 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -60.1 | -45.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V254 W255 L261 Q262 | V254-G258 PolarHBondContact O-N 3.41Å; W255-G258 PolarHBondContact O-N 2.82Å; G258-L261 PolarHBondContact O-N 2.97Å; G258-Q262 WeakPolarHBondContact O-CB 3.34Å; G258-Q262 PolarHBondContact O-N 3.02Å; G258-Q262 VanDerWaalsContact O-N 3.07Å |
| 259 | R | 77.3 | Confident | 73.2 | Confident | 139 Ų | 139 | 112 Ų | 112 | 53% | 0.525 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62 | -45.4 | 173.1 | -80.3 | -168 | 176.1 | -173 | 1.2 | 112.2 | W255 K256 L261 Q262 Y263 | W255-R259 PolarHBondContact O-N 2.87Å; K256-R259 PolarHBondContact O-N 3.48Å; R259-L261 VanDerWaalsContact C-N 3.34Å; R259-L261 PolarHBondContact O-N 3.49Å; R259-Q262 WeakPolarHBondContact O-CB 3.38Å; R259-Q262 PolarHBondContact O-N 2.94Å; R259-Y263 WeakPolarHBondContact O-CD2 3.35Å; R259-Y263 PolarHBondContact O-N 3.24Å; R259-Y263 VanDerWaalsContact O-N 3.1Å |
| 260 | L | 75.1 | Confident | 71.3 | Confident | 100 Ų | 100 | 113.7 Ų | 113.7 | 52% | 0.524 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -60.8 | -42.2 | 179.3 | -111.3 | 104.4 | 0 | 0 | 0 | 112.3 | K256 M257 Q262 Y263 S264 | K256-L260 HydrophobicContact CG-CD1 4.17Å; K256-L260 PolarHBondContact O-N 2.96Å; M257-L260 PolarHBondContact O-N 2.92Å; L260-Q262 VanDerWaalsContact C-N 3.31Å; L260-Q262 PolarHBondContact O-N 2.97Å; L260-Y263 PolarHBondContact O-N 2.88Å; L260-S264 PolarHBondContact O-N 3.45Å; L260-S264 PolarHBondContact O-OG 3.17Å |
| 261 | L | 67.2 | Low | 68.7 | Low | 115 Ų | 115 | 116.8 Ų | 116.8 | 60% | 0.602 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -63.5 | -37.8 | 175.3 | -76.6 | 162.5 | 0 | 0 | 0 | 112 | M257 G258 R259 Y263 S264 C265 | M257-L261 WeakPolarHBondContact O-CB 3.39Å; M257-L261 WeakPolarHBondContact O-CG 3.35Å; M257-L261 PolarHBondContact O-N 2.94Å; G258-L261 PolarHBondContact O-N 2.97Å; R259-L261 VanDerWaalsContact C-N 3.34Å; R259-L261 PolarHBondContact O-N 3.49Å; L261-Y263 VanDerWaalsContact C-N 3.33Å; L261-Y263 PolarHBondContact O-N 2.94Å; L261-S264 PolarHBondContact O-N 3.43Å; L261-C265 PolarHBondContact O-N 3.22Å; L261-C265 VanDerWaalsContact O-N 3.15Å |
| 262 | Q | 62.3 | Low | 66.5 | Low | 149 Ų | 149 | 118 Ų | 118 | 70% | 0.696 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -65.5 | -34.4 | 177.3 | -158.7 | 172.1 | 14.3 | 0 | 0 | 112.5 | G258 R259 L260 | G258-Q262 WeakPolarHBondContact O-CB 3.34Å; G258-Q262 PolarHBondContact O-N 3.02Å; G258-Q262 VanDerWaalsContact O-N 3.07Å; R259-Q262 WeakPolarHBondContact O-CB 3.38Å; R259-Q262 PolarHBondContact O-N 2.94Å; L260-Q262 VanDerWaalsContact C-N 3.31Å; L260-Q262 PolarHBondContact O-N 2.97Å |
| 263 | Y | 60.3 | Low | 64.4 | Low | 182 Ų | 182 | 120.9 Ų | 120.9 | 71% | 0.714 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -75.1 | -26.2 | 175 | -79.6 | -71 | 0 | 0 | 0 | 114 | R259 L260 L261 | R259-Y263 WeakPolarHBondContact O-CD2 3.35Å; R259-Y263 PolarHBondContact O-N 3.24Å; R259-Y263 VanDerWaalsContact O-N 3.1Å; L260-Y263 PolarHBondContact O-N 2.88Å; L261-Y263 VanDerWaalsContact C-N 3.33Å; L261-Y263 PolarHBondContact O-N 2.94Å |
| 264 | S | 58.6 | Low | 62.3 | Low | 98 Ų | 98 | 120.5 Ų | 120.5 | 69% | 0.685 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -87.8 | -29.8 | -179 | -69.3 | 0 | 0 | 0 | 0 | 114.3 | L260 L261 | L260-S264 PolarHBondContact O-N 3.45Å; L260-S264 PolarHBondContact O-OG 3.17Å; L261-S264 PolarHBondContact O-N 3.43Å |
| 265 | C | 56 | Low | 60.1 | Low | 106 Ų | 106 | 123.3 Ų | 123.3 | 72% | 0.716 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -93.3 | -16.6 | -175.2 | -78.8 | 0 | 0 | 0 | 0 | 115.2 | L261 | L261-C265 PolarHBondContact O-N 3.22Å; L261-C265 VanDerWaalsContact O-N 3.15Å |
| 266 | C | 55.3 | Low | 58 | Low | 99 Ų | 99 | 125.6 Ų | 125.6 | 67% | 0.669 | 68% | 0.681 | S | S | * | * | trans | -153.1 | 93.6 | 174.7 | -78.8 | 0 | 0 | 0 | 0 | 110.8 | V268 | C266-V268 PolarHBondContact O-N 3.23Š| ||
| 267 | P | 47.3 | Very low | 55.7 | Low | 102 Ų | 102 | 126 Ų | 126 | 66% | 0.662 | 69% | 0.689 | S | S | * | * | trans | -67.3 | 123.2 | 169.3 | 27.2 | -31 | 0 | 0 | 0 | 109.2 | V269 | P267-V269 PolarHBondContact O-N 3.48Š| ||
| 268 | V | 48.3 | Very low | 53.5 | Low | 135 Ų | 135 | 127.3 Ų | 127.3 | 82% | 0.818 | 70% | 0.701 | S | S | * | * | trans | -66.2 | 99.7 | 170.4 | 168.1 | 0 | 0 | 0 | 0 | 107.9 | C266 V270 | C266-V268 PolarHBondContact O-N 3.23Å; V268-V270 HydrophobicContact CG1-CG2 4.33Å | ||
| 269 | V | 48.3 | Very low | 51.2 | Low | 119 Ų | 119 | 132.7 Ų | 132.7 | 72% | 0.721 | 72% | 0.722 | S | S | * | * | trans | -81.9 | 112.8 | 165.8 | 179.1 | 0 | 0 | 0 | 0 | 107.2 | P267 L271 | P267-V269 PolarHBondContact O-N 3.48Å; V269-L271 PolarHBondContact O-N 3.4Å | ||
| 270 | V | 53.6 | Low | 49 | Very low | 124 Ų | 124 | 131.3 Ų | 131.3 | 75% | 0.752 | 73% | 0.733 | S | S | * | * | trans | -72.6 | 111.3 | 171.5 | 179.8 | 0 | 0 | 0 | 0 | 107.8 | V268 | V268-V270 HydrophobicContact CG1-CG2 4.33Š| ||
| 271 | L | 38.7 | Very low | 47.6 | Very low | 146 Ų | 146 | 131.7 Ų | 131.7 | 76% | 0.764 | 74% | 0.742 | S | S | * | * | trans | -82.7 | 131.3 | 174.6 | -151.4 | 78.6 | 0 | 0 | 0 | 109.1 | V269 | V269-L271 PolarHBondContact O-N 3.4Š| ||
| 272 | P | 43.9 | Very low | 45.9 | Very low | 101 Ų | 101 | 134.8 Ų | 134.8 | 66% | 0.656 | 75% | 0.753 | S | S | * | * | trans | -72.7 | 145.7 | -176.7 | -12.3 | 27.3 | 0 | 0 | 0 | 113.3 | T274 | P272-T274 VanDerWaalsContact C-N 3.31Å; P272-T274 PolarHBondContact O-N 3.07Å | ||
| 273 | D | 45.3 | Very low | 44.4 | Very low | 170 Ų | 170 | 136.7 Ų | 136.7 | 91% | 0.909 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -71.6 | 57.4 | -174.6 | -74.9 | -49.6 | 0 | 0 | 0 | 115.5 | ||
| 274 | T | 44.4 | Very low | 43.1 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | trans | -126.4 | 6.3 | 178.2 | 45.8 | 0 | 0 | 0 | 0 | 117.2 | P272 | P272-T274 VanDerWaalsContact C-N 3.31Å; P272-T274 PolarHBondContact O-N 3.07Å | ||
| 275 | L | 44 | Very low | 41.9 | Very low | 151 Ų | 151 | 136.8 Ų | 136.8 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | trans | -134.5 | 66 | 175.8 | -76.1 | 166.3 | 0 | 0 | 0 | 113 | I277 | L275-I277 HydrophobicContact CD2-CD1 4.16Š| ||
| 276 | K | 42.2 | Very low | 40.7 | Very low | 215 Ų | 215 | 136.4 Ų | 136.4 | 94% | 0.935 | 76% | 0.761 | S | S | * | * | trans | -90.8 | 99 | 151.8 | -91.1 | -177.5 | 177.7 | 173 | 0 | 108.1 | ||||
| 277 | I | 39.5 | Very low | 39.4 | Very low | 150 Ų | 150 | 138.1 Ų | 138.1 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | -117.8 | 124.7 | 165.7 | -67.5 | 174.5 | 0 | 0 | 0 | 108.8 | L275 | L275-I277 HydrophobicContact CD2-CD1 4.16Š| ||
| 278 | T | 36.3 | Very low | 38.9 | Very low | 114 Ų | 114 | 143.3 Ų | 143.3 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | trans | -74.6 | 148.5 | -177.8 | -37.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 279 | N | 32.4 | Very low | 38.3 | Very low | 150 Ų | 150 | 148.7 Ų | 148.7 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | trans | 101.9 | 101.6 | 162.2 | -57.7 | -44.6 | 0 | 0 | 0 | 118.7 | ||||
| 280 | S | 30.7 | Very low | 37.6 | Very low | 111 Ų | 111 | 150.3 Ų | 150.3 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | 16.3 | 159.8 | 129.3 | -153.4 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 281 | P | 46 | Very low | 36.9 | Very low | 107 Ų | 107 | 153 Ų | 153 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | cis | -131 | -174.8 | -11.8 | 21.7 | 4.3 | 0 | 0 | 0 | 114 | ||||
| 282 | Q | 31.2 | Very low | 36.8 | Very low | 181 Ų | 181 | 153 Ų | 153 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | trans | 89 | 105 | 161.8 | -66.2 | -178 | -18.9 | 0 | 0 | 120.2 | ||||
| 283 | K | 30.9 | Very low | 36.3 | Very low | 188 Ų | 188 | 155.2 Ų | 155.2 | 82% | 0.817 | 80% | 0.8 | S | S | * | * | 49.7 | 138.8 | 118.7 | -110.1 | -177 | 177.5 | 178.1 | 0 | 121 | |||||
| 284 | L | 32.2 | Very low | 35.7 | Very low | 142 Ų | 142 | 151.9 Ų | 151.9 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | trans | 84.8 | 132.8 | 147.2 | -76.5 | 159 | 0 | 0 | 0 | 114.7 | ||||
| 285 | I | 32.9 | Very low | 35.1 | Very low | 141 Ų | 141 | 152.1 Ų | 152.1 | 72% | 0.723 | 80% | 0.801 | S | S | * | * | cis | -156.8 | 144.8 | 25.3 | -90.6 | 133.9 | 0 | 0 | 0 | 111.3 | ||||
| 286 | S | 31.1 | Very low | 34.7 | Very low | 98 Ų | 98 | 149.6 Ų | 149.6 | 69% | 0.685 | 80% | 0.802 | S | S | * | * | trans | 10.2 | 137.1 | 154.5 | 101.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 287 | C | 28.8 | Very low | 34.3 | Very low | 134 Ų | 134 | 146 Ų | 146 | 91% | 0.905 | 80% | 0.799 | S | S | * | * | -133.9 | 116.3 | 122 | -110.4 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 288 | R | 36.9 | Very low | 34.1 | Very low | 212 Ų | 212 | 143.2 Ų | 143.2 | 80% | 0.8 | 80% | 0.798 | S | S | * | * | trans | -46.9 | 131.2 | 171 | -172.7 | -176.4 | -152.8 | 155.3 | 2.8 | 112.4 | ||||
| 289 | R | 35.1 | Very low | 34.3 | Very low | 248 Ų | 248 | 144.4 Ų | 144.4 | 94% | 0.936 | 81% | 0.805 | S | S | * | * | trans | -134.2 | 120 | 151.2 | -156.6 | 172.9 | -152.7 | 166.3 | 6.1 | 108.8 | ||||
| 290 | E | 33.5 | Very low | 34.4 | Very low | 153 Ų | 153 | 143.7 Ų | 143.7 | 72% | 0.715 | 80% | 0.798 | S | S | * | * | trans | -65.9 | 137.6 | -172.1 | -133.9 | 145 | 177.1 | 0 | 0 | 111.6 | ||||
| 291 | E | 38.5 | Very low | 35 | Very low | 180 Ų | 180 | 141.9 Ų | 141.9 | 84% | 0.841 | 79% | 0.785 | S | S | * | * | trans | -67.7 | 140.4 | 161.5 | -70.5 | 173.4 | 145 | 0 | 0 | 109.4 | ||||
| 292 | V | 36.2 | Very low | 34.8 | Very low | 145 Ų | 145 | 142.1 Ų | 142.1 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | trans | -129.9 | 125.5 | 152.7 | -178.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 293 | D | 34.3 | Very low | 35.6 | Very low | 149 Ų | 149 | 141.5 Ų | 141.5 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | -58.1 | 158.3 | -169.5 | -78.6 | -54.1 | 0 | 0 | 0 | 116.7 | ||||
| 294 | A | 33.3 | Very low | 36.4 | Very low | 99 Ų | 99 | 138.8 Ų | 138.8 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -60.2 | 135.8 | 163.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 295 | C | 30.3 | Very low | 36.9 | Very low | 127 Ų | 127 | 138.8 Ų | 138.8 | 86% | 0.858 | 77% | 0.774 | S | S | * | * | trans | -103.6 | 112.7 | 150.5 | -126.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 296 | A | 36.9 | Very low | 37.4 | Very low | 98 Ų | 98 | 138.6 Ų | 138.6 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | trans | -70.2 | 126.2 | 166 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 297 | T | 33.5 | Very low | 38.2 | Very low | 140 Ų | 140 | 144.9 Ų | 144.9 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | trans | -124.2 | 125.2 | 153.8 | -5.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 298 | A | 36.2 | Very low | 39 | Very low | 90 Ų | 90 | 142 Ų | 142 | 74% | 0.744 | 77% | 0.769 | S | S | * | * | trans | -57.5 | 142.7 | -167.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | M300 | A298-M300 PolarHBondContact O-N 3.03Š| ||
| 299 | V | 38.9 | Very low | 39.2 | Very low | 140 Ų | 140 | 142.9 Ų | 142.9 | 85% | 0.848 | 77% | 0.772 | S | S | * | * | trans | -64.1 | 111.5 | 156.7 | 172.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 300 | M | 34.8 | Very low | 39.8 | Very low | 135 Ų | 135 | 138.5 Ų | 138.5 | 67% | 0.665 | 77% | 0.766 | S | S | * | * | trans | -78.1 | 125.4 | 160.1 | -74.4 | -171 | 77.3 | 0 | 0 | 108.4 | A298 E304 | A298-M300 PolarHBondContact O-N 3.03Å; M300-E304 HydrophobicContact CE-CB 3.91Å; M300-E304 WeakPolarHBondContact CE-OE2 3.45Å | ||
| 301 | S | 44.1 | Very low | 40.3 | Very low | 72 Ų | 72 | 139.9 Ų | 139.9 | 50% | 0.503 | 79% | 0.792 | S | S | . | * | trans | -75 | 156.4 | 173.7 | 79.5 | 0 | 0 | 0 | 0 | 111 | E303 | S301-E303 PolarHBondContact O-N 2.93Š| ||
| 302 | P | 41.8 | Very low | 40.4 | Very low | 113 Ų | 113 | 137.9 Ų | 137.9 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -3 | -171.1 | -20.5 | 33.6 | 0 | 0 | 0 | 116.5 | ||
| 303 | E | 48.2 | Very low | 40.6 | Very low | 168 Ų | 168 | 137.5 Ų | 137.5 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -9.4 | -173.9 | -64.7 | -167.3 | 162.9 | 0 | 0 | 114.9 | S301 | S301-E303 PolarHBondContact O-N 2.93Š|
| 304 | E | 47.8 | Very low | 40.9 | Very low | 131 Ų | 131 | 136.9 Ų | 136.9 | 61% | 0.612 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -92.3 | -13.3 | 175.6 | -72.2 | -164.4 | 146.1 | 0 | 0 | 114.4 | M300 L306 | M300-E304 HydrophobicContact CE-CB 3.91Å; M300-E304 WeakPolarHBondContact CE-OE2 3.45Å; E304-L306 VanDerWaalsContact C-N 3.31Å; E304-L306 PolarHBondContact O-N 3.49Å |
| 305 | L | 42 | Very low | 41.4 | Very low | 141 Ų | 141 | 139.1 Ų | 139.1 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | G | 310 helix | trans | -76 | -20.6 | 178.1 | -122.4 | 153.9 | 0 | 0 | 0 | 112.7 | ||
| 306 | L | 43.7 | Very low | 42.1 | Very low | 138 Ų | 138 | 139.9 Ų | 139.9 | 72% | 0.723 | 78% | 0.778 | S | S | * | * | G | 310 helix | trans | -83.5 | -8.5 | -179.6 | -91.1 | 158.7 | 0 | 0 | 0 | 114.6 | E304 | E304-L306 VanDerWaalsContact C-N 3.31Å; E304-L306 PolarHBondContact O-N 3.49Å |
| 307 | R | 46.5 | Very low | 42.4 | Very low | 229 Ų | 229 | 142.7 Ų | 142.7 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -95.7 | -0.5 | 175.7 | -144 | -172.5 | -70 | -173.2 | 0.4 | 113.9 | ||
| 308 | A | 47.3 | Very low | 43.1 | Very low | 74 Ų | 74 | 142.9 Ų | 142.9 | 61% | 0.612 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -103 | 3.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 309 | W | 41.4 | Very low | 43.6 | Very low | 231 Ų | 231 | 146.9 Ų | 146.9 | 88% | 0.875 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -120.3 | 5.1 | -179 | -102.4 | 60.6 | 0 | 0 | 0 | 114.5 | ||
| 310 | I | 47.3 | Very low | 44 | Very low | 156 Ų | 156 | 147.5 Ų | 147.5 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | trans | -128.8 | 72.7 | 170.6 | -50.1 | 177.3 | 0 | 0 | 0 | 108.2 | ||||
| 311 | S | 42.9 | Very low | 44.8 | Very low | 182 Ų | 182 | 148.6 Ų | 148.6 | 100% | 1.273 | 77% | 0.774 | S | S | * | * | trans | -140.4 | 0 | 150.9 | 68.5 | 0 | 0 | 0 | 0 | 107.6 |
Retrieved 311 of 311 residues in 66.1 ms
(Link to these results)