| 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 | 61.3 | Low | 90.5 | Very high | 251 Ų | 251 | 143.1 Ų | 143.1 | 100% | 1.236 | 72% | 0.721 | S | S | * | * | 0 | 133.2 | 0 | -78.6 | -169 | -150.5 | 0 | 0 | 109.9 | |||||
| 2 | G | 84.6 | Confident | 90.9 | Very high | 78 Ų | 78 | 143.3 Ų | 143.3 | 80% | 0.804 | 71% | 0.713 | S | S | * | * | trans | -98.5 | -173.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 3 | K | 90.8 | Very high | 91.4 | Very high | 181 Ų | 181 | 137.8 Ų | 137.8 | 79% | 0.787 | 69% | 0.687 | S | S | * | * | trans | -63.4 | 148.1 | 174.1 | -42.6 | 178.8 | -165.9 | 174.3 | 0 | 109.9 | L13 | K3-L13 HydrophobicContact CB-CD2 4.28Š| ||
| 4 | C | 91.5 | Very high | 91.7 | Very high | 44 Ų | 44 | 140 Ų | 140 | 30% | 0.297 | 68% | 0.684 | S | S | . | * | trans | -63.4 | 136.9 | 171 | 23.8 | 0 | 0 | 0 | 0 | 110.4 | T9 | C4-T9 HydrophobicContact CB-CG2 4.04Š| ||
| 5 | R | 93.6 | Very high | 92.1 | Very high | 240 Ų | 240 | 133.7 Ų | 133.7 | 91% | 0.906 | 65% | 0.654 | S | S | * | * | trans | -118.7 | 3.5 | -174.9 | -61.4 | -173.8 | -178.4 | -174 | -0.1 | 114.5 | ||||
| 6 | G | 94.3 | Very high | 92.3 | Very high | 43 Ų | 43 | 131.8 Ų | 131.8 | 44% | 0.443 | 64% | 0.643 | S | S | . | * | trans | -71.4 | 147.6 | -179 | 0 | 0 | 0 | 0 | 0 | 112.8 | R8 T9 | G6-R8 PolarHBondContact O-N 3Å; G6-R8 VanDerWaalsContact O-N 3.15Å; G6-T9 WeakPolarHBondContact O-CB 3.41Å; G6-T9 WeakPolarHBondContact O-CG2 3.47Å; G6-T9 PolarHBondContact O-N 3.22Å; G6-T9 PolarHBondContact O-OG1 3.28Å | ||
| 7 | L | 94.3 | Very high | 92.5 | Very high | 185 Ų | 185 | 133.6 Ų | 133.6 | 97% | 0.969 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.8 | -36.1 | -178.6 | -71 | 167.2 | 0 | 0 | 0 | 113.5 | T9 | L7-T9 PolarHBondContact O-N 3.48Š|
| 8 | R | 95.8 | Very high | 92.7 | Very high | 250 Ų | 250 | 133.7 Ų | 133.7 | 94% | 0.943 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | 18.4 | -178.7 | -62.6 | -178.1 | 178.7 | 169.6 | -0.4 | 114.5 | G6 | G6-R8 PolarHBondContact O-N 3Å; G6-R8 VanDerWaalsContact O-N 3.15Å |
| 9 | T | 96.1 | Very high | 92.9 | Very high | 35 Ų | 35 | 132.1 Ų | 132.1 | 22% | 0.215 | 63% | 0.626 | C | S | . | * | trans | -97.7 | 4.9 | -174 | 65.6 | 0 | 0 | 0 | 0 | 115.2 | C4 G6 L7 R11 K12 L13 | C4-T9 HydrophobicContact CB-CG2 4.04Å; G6-T9 WeakPolarHBondContact O-CB 3.41Å; G6-T9 WeakPolarHBondContact O-CG2 3.47Å; G6-T9 PolarHBondContact O-N 3.22Å; G6-T9 PolarHBondContact O-OG1 3.28Å; L7-T9 PolarHBondContact O-N 3.48Å; T9-R11 VanDerWaalsContact C-N 3.34Å; T9-R11 PolarHBondContact O-N 3.12Å; T9-K12 PolarHBondContact O-N 2.91Å; T9-K12 VanDerWaalsContact O-N 3.08Å; T9-L13 PolarHBondContact O-N 2.87Å; T9-L13 VanDerWaalsContact O-N 3.11Å | ||
| 10 | A | 96 | Very high | 93.1 | Very high | 71 Ų | 71 | 129.4 Ų | 129.4 | 59% | 0.587 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -52.7 | -44 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | K12 L13 R14 | A10-K12 PolarHBondContact O-N 3.11Å; A10-L13 PolarHBondContact O-N 2.88Å; A10-R14 WeakPolarHBondContact O-CB 3.49Å; A10-R14 PolarHBondContact O-N 2.98Å |
| 11 | R | 96.8 | Very high | 93.3 | Very high | 196 Ų | 196 | 127.2 Ų | 127.2 | 74% | 0.74 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -61.2 | -43.8 | 179.1 | -174.5 | -176.4 | -67 | -155.4 | 0.6 | 112.1 | T9 R14 N15 | T9-R11 VanDerWaalsContact C-N 3.34Å; T9-R11 PolarHBondContact O-N 3.12Å; R11-R14 PolarHBondContact O-N 2.91Å; R11-N15 WeakPolarHBondContact O-CB 3.5Å; R11-N15 PolarHBondContact O-N 3.28Å |
| 12 | K | 95.8 | Very high | 94.9 | Very high | 146 Ų | 146 | 120.4 Ų | 120.4 | 64% | 0.635 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63.7 | -46.5 | 178.8 | -177.4 | 168.7 | 179.3 | 170.3 | 0 | 110.7 | T9 A10 R14 N15 H16 | T9-K12 PolarHBondContact O-N 2.91Å; T9-K12 VanDerWaalsContact O-N 3.08Å; A10-K12 PolarHBondContact O-N 3.11Å; K12-R14 PolarHBondContact O-N 3.03Å; K12-N15 PolarHBondContact O-N 3.35Å; K12-H16 VanDerWaalsContact O-CB 3.26Å; K12-H16 WeakPolarHBondContact O-CB 3.26Å; K12-H16 PolarHBondContact O-N 3.43Å |
| 13 | L | 96.7 | Very high | 95.5 | Very high | 71 Ų | 71 | 123.6 Ų | 123.6 | 37% | 0.372 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.3 | -43.1 | 177 | -68.2 | 174.2 | 0 | 0 | 0 | 112.1 | K3 T9 A10 R17 | K3-L13 HydrophobicContact CB-CD2 4.28Å; T9-L13 PolarHBondContact O-N 2.87Å; T9-L13 VanDerWaalsContact O-N 3.11Å; A10-L13 PolarHBondContact O-N 2.88Å; L13-R17 WeakPolarHBondContact O-CB 3.19Å; L13-R17 PolarHBondContact O-N 3.18Å |
| 14 | R | 96.7 | Very high | 95.7 | Very high | 169 Ų | 169 | 118.9 Ų | 118.9 | 64% | 0.638 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63 | -50.6 | 177.4 | -170.5 | -175.3 | 82.7 | 178.5 | 7 | 112.3 | A10 R11 K12 R17 R18 | A10-R14 WeakPolarHBondContact O-CB 3.49Å; A10-R14 PolarHBondContact O-N 2.98Å; R11-R14 PolarHBondContact O-N 2.91Å; K12-R14 PolarHBondContact O-N 3.03Å; R14-R17 PolarHBondContact O-N 3.37Å; R14-R18 PolarHBondContact O-N 3.32Å |
| 15 | N | 96.8 | Very high | 95.8 | Very high | 45 Ų | 45 | 124.6 Ų | 124.6 | 24% | 0.241 | 56% | 0.559 | C | S | . | * | H | α-helix | trans | -64.2 | -44.8 | -177.8 | -72.7 | -4.7 | 0 | 0 | 0 | 111 | R11 K12 R17 R18 E19 | R11-N15 WeakPolarHBondContact O-CB 3.5Å; R11-N15 PolarHBondContact O-N 3.28Å; K12-N15 PolarHBondContact O-N 3.35Å; N15-R17 PolarHBondContact O-N 3.24Å; N15-R18 WeakPolarHBondContact O-CB 3.46Å; N15-R18 PolarHBondContact O-N 3.41Å; N15-R18 VanDerWaalsContact O-N 3.11Å; N15-E19 PolarHBondContact O-N 2.68Å |
| 16 | H | 96.1 | Very high | 95.7 | Very high | 103 Ų | 103 | 119.8 Ų | 119.8 | 48% | 0.477 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -58.1 | -47.4 | 174.9 | -177.6 | 69.1 | 0 | 0 | 0 | 111.3 | K12 R18 E19 Q20 | K12-H16 VanDerWaalsContact O-CB 3.26Å; K12-H16 WeakPolarHBondContact O-CB 3.26Å; K12-H16 PolarHBondContact O-N 3.43Å; H16-R18 VanDerWaalsContact C-N 3.3Å; H16-R18 PolarHBondContact O-N 3.01Å; H16-E19 PolarHBondContact O-N 2.97Å; H16-Q20 WeakPolarHBondContact O-CB 3.29Å; H16-Q20 WeakPolarHBondContact O-CG 3.4Å; H16-Q20 PolarHBondContact O-N 3.33Å |
| 17 | R | 95.9 | Very high | 95.7 | Very high | 164 Ų | 164 | 120.4 Ų | 120.4 | 62% | 0.619 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60.7 | -39.4 | 176.5 | -177.8 | 57.1 | 171.7 | 168.8 | -0.2 | 112.1 | L13 R14 N15 Q20 K21 | L13-R17 WeakPolarHBondContact O-CB 3.19Å; L13-R17 PolarHBondContact O-N 3.18Å; R14-R17 PolarHBondContact O-N 3.37Å; N15-R17 PolarHBondContact O-N 3.24Å; R17-Q20 PolarHBondContact O-N 3.44Å; R17-K21 WeakPolarHBondContact O-CG 3.41Å; R17-K21 PolarHBondContact O-N 3.05Å |
| 18 | R | 96.2 | Very high | 95.7 | Very high | 134 Ų | 134 | 116.7 Ų | 116.7 | 51% | 0.506 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 177.7 | -175.8 | -178.1 | 66.5 | 179.4 | 1.8 | 111.7 | R14 N15 H16 K21 W22 | R14-R18 PolarHBondContact O-N 3.32Å; N15-R18 WeakPolarHBondContact O-CB 3.46Å; N15-R18 PolarHBondContact O-N 3.41Å; N15-R18 VanDerWaalsContact O-N 3.11Å; H16-R18 VanDerWaalsContact C-N 3.3Å; H16-R18 PolarHBondContact O-N 3.01Å; R18-K21 PolarHBondContact O-N 3.4Å; R18-W22 VanDerWaalsContact O-CD1 3.25Å |
| 19 | E | 96.3 | Very high | 95.5 | Very high | 104 Ų | 104 | 109.5 Ų | 109.5 | 49% | 0.486 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.9 | -46.8 | 174.4 | -72.9 | 160.6 | -161.8 | 0 | 0 | 110.7 | N15 H16 K21 W22 | N15-E19 PolarHBondContact O-N 2.68Å; H16-E19 PolarHBondContact O-N 2.97Å; E19-K21 VanDerWaalsContact C-N 3.27Å; E19-K21 PolarHBondContact O-N 3.29Å; E19-W22 WeakPolarHBondContact O-CB 3.31Å; E19-W22 PolarHBondContact O-N 3.46Å |
| 20 | Q | 96.2 | Very high | 95.2 | Very high | 78 Ų | 78 | 111.2 Ų | 111.2 | 36% | 0.364 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64 | -29.4 | -180 | -67.4 | -56.9 | -47.4 | 0 | 0 | 113.5 | H16 R17 W22 H23 | H16-Q20 WeakPolarHBondContact O-CB 3.29Å; H16-Q20 WeakPolarHBondContact O-CG 3.4Å; H16-Q20 PolarHBondContact O-N 3.33Å; R17-Q20 PolarHBondContact O-N 3.44Å; Q20-W22 PolarHBondContact O-N 2.83Å; Q20-H23 PolarHBondContact O-N 2.86Å; Q20-H23 VanDerWaalsContact O-N 3.09Å; Q20-H23 PolarHBondContact OE1-CD2 2.74Å |
| 21 | K | 97 | Very high | 95.1 | Very high | 83 Ų | 83 | 113 Ų | 113 | 36% | 0.361 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.6 | -30.3 | 174.1 | -81.6 | -179.4 | 175.9 | -169.1 | 0 | 112.4 | R17 R18 E19 H23 D24 Y27 | R17-K21 WeakPolarHBondContact O-CG 3.41Å; R17-K21 PolarHBondContact O-N 3.05Å; R18-K21 PolarHBondContact O-N 3.4Å; E19-K21 VanDerWaalsContact C-N 3.27Å; E19-K21 PolarHBondContact O-N 3.29Å; K21-H23 PolarHBondContact O-N 3.03Å; K21-D24 WeakPolarHBondContact O-CB 2.79Å; K21-D24 PolarHBondContact O-N 3.47Å; K21-D24 VanDerWaalsContact O-N 3.08Å; K21-Y27 HydrophobicContact CB-CD1 3.79Å; K21-Y27 HydrophobicContact CB-CD2 4.25Å; K21-Y27 HydrophobicContact CB-CE1 3.76Å; K21-Y27 HydrophobicContact CB-CE2 4.22Å; K21-Y27 HydrophobicContact CB-CG 4.04Å; K21-Y27 HydrophobicContact CD-CD2 4.18Å; K21-Y27 HydrophobicContact CD-CE1 4.46Å; K21-Y27 HydrophobicContact CD-CE2 3.66Å; K21-Y27 HydrophobicContact CG-CD2 4.46Å; K21-Y27 HydrophobicContact CG-CE2 4.36Å; K21-Y27 WeakPolarHBondContact O-CB 3.38Å; K21-Y27 VanDerWaalsContact O-CD1 3.24Å; K21-Y27 WeakPolarHBondContact O-CD1 3.5Å |
| 22 | W | 96.2 | Very high | 94.8 | Very high | 108 Ų | 108 | 108.5 Ų | 108.5 | 41% | 0.409 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -16.5 | 178.8 | -68.7 | 106.9 | 0 | 0 | 0 | 113.9 | R18 E19 Q20 D24 Y27 K28 H31 | R18-W22 VanDerWaalsContact O-CD1 3.25Å; E19-W22 WeakPolarHBondContact O-CB 3.31Å; E19-W22 PolarHBondContact O-N 3.46Å; Q20-W22 PolarHBondContact O-N 2.83Å; W22-D24 VanDerWaalsContact C-N 3.34Å; W22-Y27 HydrophobicContact CD2-CD1 4.5Å; W22-Y27 HydrophobicContact CD2-CE1 4.18Å; W22-Y27 HydrophobicContact CE3-CD1 4.39Å; W22-Y27 HydrophobicContact CE3-CE1 4.33Å; W22-Y27 HydrophobicContact CZ2-CE1 4.47Å; W22-K28 HydrophobicContact CE3-CG 4.33Å; W22-H31 HydrophobicContact CH2-CB 3.83Å; W22-H31 HydrophobicContact CZ3-CB 3.96Å |
| 23 | H | 95.4 | Very high | 94.4 | Very high | 146 Ų | 146 | 103.2 Ų | 103.2 | 68% | 0.676 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -16.1 | 171 | -60.4 | -61.1 | 0 | 0 | 0 | 112.6 | Q20 K21 K25 | Q20-H23 PolarHBondContact O-N 2.86Å; Q20-H23 VanDerWaalsContact O-N 3.09Å; Q20-H23 PolarHBondContact OE1-CD2 2.74Å; K21-H23 PolarHBondContact O-N 3.03Å; H23-K25 PolarHBondContact O-N 2.89Å |
| 24 | D | 95.9 | Very high | 93.7 | Very high | 81 Ų | 81 | 103 Ų | 103 | 43% | 0.433 | 48% | 0.48 | S | S | . | . | S | Bend | trans | -74.2 | 120.7 | 169.6 | -178.7 | -91.7 | 0 | 0 | 0 | 110.3 | K21 W22 Q26 Y27 K28 | K21-D24 WeakPolarHBondContact O-CB 2.79Å; K21-D24 PolarHBondContact O-N 3.47Å; K21-D24 VanDerWaalsContact O-N 3.08Å; W22-D24 VanDerWaalsContact C-N 3.34Å; D24-Q26 VanDerWaalsContact C-N 3.31Å; D24-Q26 PolarHBondContact O-N 2.84Å; D24-Q26 WeakPolarHBondContact OD1-CA 3.26Å; D24-Q26 WeakPolarHBondContact OD1-CB 3.41Å; D24-Q26 PolarHBondContact OD1-N 2.93Å; D24-Y27 PolarHBondContact O-N 2.8Å; D24-Y27 WeakPolarHBondContact OD1-CB 3.42Å; D24-Y27 PolarHBondContact OD1-N 3.41Å; D24-K28 WeakPolarHBondContact O-CB 3.27Å; D24-K28 PolarHBondContact O-N 2.85Å |
| 25 | K | 93.2 | Very high | 92.9 | Very high | 165 Ų | 165 | 96.8 Ų | 96.8 | 72% | 0.717 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -62.1 | -37 | -175.3 | -176.8 | 176.8 | -179.4 | 175.8 | 0 | 112.5 | H23 K29 | H23-K25 PolarHBondContact O-N 2.89Å; K25-K29 VanDerWaalsContact O-CB 3.31Å; K25-K29 WeakPolarHBondContact O-CB 3.4Å; K25-K29 PolarHBondContact O-N 3.06Å |
| 26 | Q | 92.7 | Very high | 92.3 | Very high | 139 Ų | 139 | 100.2 Ų | 100.2 | 65% | 0.65 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -72.5 | -45.3 | -178.6 | -59.2 | -174.6 | 8.3 | 0 | 0 | 110.2 | D24 K29 A30 | D24-Q26 VanDerWaalsContact C-N 3.31Å; D24-Q26 PolarHBondContact O-N 2.84Å; D24-Q26 WeakPolarHBondContact OD1-CA 3.26Å; D24-Q26 WeakPolarHBondContact OD1-CB 3.41Å; D24-Q26 PolarHBondContact OD1-N 2.93Å; Q26-K29 PolarHBondContact O-N 3.37Å; Q26-A30 WeakPolarHBondContact O-CB 3.22Å; Q26-A30 PolarHBondContact O-N 2.88Å |
| 27 | Y | 94.6 | Very high | 91.9 | Very high | 55 Ų | 55 | 104 Ų | 104 | 22% | 0.216 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -57.1 | -51.2 | 174.5 | -173 | -89 | 0 | 0 | 0 | 110.8 | K21 W22 D24 K29 A30 H31 | K21-Y27 HydrophobicContact CB-CD1 3.79Å; K21-Y27 HydrophobicContact CB-CD2 4.25Å; K21-Y27 HydrophobicContact CB-CE1 3.76Å; K21-Y27 HydrophobicContact CB-CE2 4.22Å; K21-Y27 HydrophobicContact CB-CG 4.04Å; K21-Y27 HydrophobicContact CD-CD2 4.18Å; K21-Y27 HydrophobicContact CD-CE1 4.46Å; K21-Y27 HydrophobicContact CD-CE2 3.66Å; K21-Y27 HydrophobicContact CG-CD2 4.46Å; K21-Y27 HydrophobicContact CG-CE2 4.36Å; K21-Y27 WeakPolarHBondContact O-CB 3.38Å; K21-Y27 VanDerWaalsContact O-CD1 3.24Å; K21-Y27 WeakPolarHBondContact O-CD1 3.5Å; W22-Y27 HydrophobicContact CD2-CD1 4.5Å; W22-Y27 HydrophobicContact CD2-CE1 4.18Å; W22-Y27 HydrophobicContact CE3-CD1 4.39Å; W22-Y27 HydrophobicContact CE3-CE1 4.33Å; W22-Y27 HydrophobicContact CZ2-CE1 4.47Å; D24-Y27 PolarHBondContact O-N 2.8Å; D24-Y27 WeakPolarHBondContact OD1-CB 3.42Å; D24-Y27 PolarHBondContact OD1-N 3.41Å; Y27-K29 PolarHBondContact O-N 2.85Å; Y27-A30 PolarHBondContact O-N 2.82Å; Y27-H31 AromaticContact CD1-ND1 3.8Å; Y27-H31 AromaticContact CD2-CE1 3.31Å; Y27-H31 WeakPolarHBondContact CD2-CE1 3.38Å; Y27-H31 AromaticContact CD2-ND1 3.52Å; Y27-H31 HydrophobicContact CE1-CB 4.28Å; Y27-H31 AromaticContact CE1-CG 3.88Å; Y27-H31 AromaticContact CE1-ND1 3.8Å; Y27-H31 AromaticContact CE2-CE1 3.11Å; Y27-H31 WeakPolarHBondContact CE2-CE1 3.23Å; Y27-H31 AromaticContact CE2-ND1 3.52Å; Y27-H31 AromaticContact CE2-NE2 3.44Å; Y27-H31 WeakPolarHBondContact CE2-NE2 3.14Å; Y27-H31 AromaticContact CG-CE1 3.95Å; Y27-H31 AromaticContact CG-ND1 3.67Å; Y27-H31 AromaticContact CZ-CD2 3.8Å; Y27-H31 AromaticContact CZ-CE1 3.63Å; Y27-H31 AromaticContact CZ-CG 3.79Å; Y27-H31 AromaticContact CZ-ND1 3.66Å; Y27-H31 AromaticContact CZ-NE2 3.69Å; Y27-H31 PolarHBondContact O-N 3.29Å; Y27-H31 PolarHBondContact O-ND1 2.85Å |
| 28 | K | 94.4 | Very high | 91.7 | Very high | 108 Ų | 108 | 99.2 Ų | 99.2 | 47% | 0.47 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -57.8 | -46.6 | 177.8 | -173 | 175.6 | -176.7 | 175.7 | 0 | 111.8 | W22 D24 A30 H31 L32 | W22-K28 HydrophobicContact CE3-CG 4.33Å; D24-K28 WeakPolarHBondContact O-CB 3.27Å; D24-K28 PolarHBondContact O-N 2.85Å; K28-A30 VanDerWaalsContact C-N 3.31Å; K28-A30 PolarHBondContact O-N 2.88Å; K28-H31 PolarHBondContact O-N 3.5Å; K28-L32 WeakPolarHBondContact O-CB 3.19Å; K28-L32 PolarHBondContact O-N 2.92Å |
| 29 | K | 90.6 | Very high | 91.6 | Very high | 99 Ų | 99 | 95.2 Ų | 95.2 | 43% | 0.43 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.6 | -36.5 | 179.9 | -173.2 | 177.6 | -178.2 | -176.7 | 0 | 112.6 | K25 Q26 Y27 A35 K108 | K25-K29 VanDerWaalsContact O-CB 3.31Å; K25-K29 WeakPolarHBondContact O-CB 3.4Å; K25-K29 PolarHBondContact O-N 3.06Å; Q26-K29 PolarHBondContact O-N 3.37Å; Y27-K29 PolarHBondContact O-N 2.85Å; K29-A35 HydrophobicContact CG-CB 4.2Å; K29-K108 PolarHBondContact NZ-O 3.45Å |
| 30 | A | 90.1 | Very high | 91.5 | Very high | 71 Ų | 71 | 91.6 Ų | 91.6 | 59% | 0.587 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -74.1 | -42.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q26 Y27 K28 | Q26-A30 WeakPolarHBondContact O-CB 3.22Å; Q26-A30 PolarHBondContact O-N 2.88Å; Y27-A30 PolarHBondContact O-N 2.82Å; K28-A30 VanDerWaalsContact C-N 3.31Å; K28-A30 PolarHBondContact O-N 2.88Å |
| 31 | H | 92.7 | Very high | 91.5 | Very high | 108 Ų | 108 | 88.1 Ų | 88.1 | 50% | 0.5 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -91.3 | -17.2 | -171.6 | -63.2 | 77 | 0 | 0 | 0 | 114 | W22 Y27 K28 G33 | W22-H31 HydrophobicContact CH2-CB 3.83Å; W22-H31 HydrophobicContact CZ3-CB 3.96Å; Y27-H31 AromaticContact CD1-ND1 3.8Å; Y27-H31 AromaticContact CD2-CE1 3.31Å; Y27-H31 WeakPolarHBondContact CD2-CE1 3.38Å; Y27-H31 AromaticContact CD2-ND1 3.52Å; Y27-H31 HydrophobicContact CE1-CB 4.28Å; Y27-H31 AromaticContact CE1-CG 3.88Å; Y27-H31 AromaticContact CE1-ND1 3.8Å; Y27-H31 AromaticContact CE2-CE1 3.11Å; Y27-H31 WeakPolarHBondContact CE2-CE1 3.23Å; Y27-H31 AromaticContact CE2-ND1 3.52Å; Y27-H31 AromaticContact CE2-NE2 3.44Å; Y27-H31 WeakPolarHBondContact CE2-NE2 3.14Å; Y27-H31 AromaticContact CG-CE1 3.95Å; Y27-H31 AromaticContact CG-ND1 3.67Å; Y27-H31 AromaticContact CZ-CD2 3.8Å; Y27-H31 AromaticContact CZ-CE1 3.63Å; Y27-H31 AromaticContact CZ-CG 3.79Å; Y27-H31 AromaticContact CZ-ND1 3.66Å; Y27-H31 AromaticContact CZ-NE2 3.69Å; Y27-H31 PolarHBondContact O-N 3.29Å; Y27-H31 PolarHBondContact O-ND1 2.85Å; K28-H31 PolarHBondContact O-N 3.5Å; H31-G33 VanDerWaalsContact C-N 3.28Å |
| 32 | L | 91.1 | Very high | 91.2 | Very high | 101 Ų | 101 | 86 Ų | 86 | 53% | 0.529 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -8.8 | 175.7 | -165.2 | 63 | 0 | 0 | 0 | 112.8 | K28 T34 | K28-L32 WeakPolarHBondContact O-CB 3.19Å; K28-L32 PolarHBondContact O-N 2.92Å; L32-T34 WeakPolarHBondContact CD2-OG1 3.3Å; L32-T34 WeakPolarHBondContact CG-OG1 3.48Å; L32-T34 PolarHBondContact O-N 3.19Å; L32-T34 VanDerWaalsContact O-N 3.08Å |
| 33 | G | 87.4 | Confident | 90.9 | Very high | 35 Ų | 35 | 83.4 Ų | 83.4 | 36% | 0.361 | 46% | 0.46 | S | S | . | . | S | Bend | trans | 71.1 | -2.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | H31 A35 L36 K37 | H31-G33 VanDerWaalsContact C-N 3.28Å; G33-A35 PolarHBondContact O-N 3.3Å; G33-L36 WeakPolarHBondContact O-CB 3.44Å; G33-L36 PolarHBondContact O-N 3.44Å; G33-K37 PolarHBondContact O-N 2.97Å; G33-K37 VanDerWaalsContact O-N 3.07Å |
| 34 | T | 83.2 | Confident | 90.9 | Very high | 66 Ų | 66 | 78.7 Ų | 78.7 | 41% | 0.405 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -59.2 | -33.6 | 179.1 | -37.3 | 0 | 0 | 0 | 0 | 111.9 | L32 L36 K37 A38 | L32-T34 WeakPolarHBondContact CD2-OG1 3.3Å; L32-T34 WeakPolarHBondContact CG-OG1 3.48Å; L32-T34 PolarHBondContact O-N 3.19Å; L32-T34 VanDerWaalsContact O-N 3.08Å; T34-L36 PolarHBondContact O-N 2.84Å; T34-K37 PolarHBondContact O-N 2.89Å; T34-A38 HydrophobicContact CG2-CB 4.21Å; T34-A38 VanDerWaalsContact O-CB 3.31Å; T34-A38 WeakPolarHBondContact O-CB 3.48Å; T34-A38 PolarHBondContact O-N 3.36Å |
| 35 | A | 79.3 | Confident | 90.9 | Very high | 40 Ų | 40 | 79.1 Ų | 79.1 | 33% | 0.331 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.2 | -26.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | K29 G33 N39 | K29-A35 HydrophobicContact CG-CB 4.2Å; G33-A35 PolarHBondContact O-N 3.3Å; A35-N39 WeakPolarHBondContact O-CB 3.45Å |
| 36 | L | 83.8 | Confident | 91.1 | Very high | 116 Ų | 116 | 75.2 Ų | 75.2 | 61% | 0.607 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -87.6 | -47.6 | 176.8 | -171.4 | 66.8 | 0 | 0 | 0 | 110.8 | G33 T34 G42 | G33-L36 WeakPolarHBondContact O-CB 3.44Å; G33-L36 PolarHBondContact O-N 3.44Å; T34-L36 PolarHBondContact O-N 2.84Å; L36-G42 WeakPolarHBondContact CD1-O 3.22Å |
| 37 | K | 88.7 | Confident | 91.3 | Very high | 182 Ų | 182 | 68.9 Ų | 68.9 | 79% | 0.791 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -66.7 | -48.9 | -176.4 | -174.1 | 177.8 | -179.5 | 177.2 | 0 | 113.1 | G33 T34 K79 | G33-K37 PolarHBondContact O-N 2.97Å; G33-K37 VanDerWaalsContact O-N 3.07Å; T34-K37 PolarHBondContact O-N 2.89Å; K37-K79 PolarHBondContact O-NZ 2.84Å |
| 38 | A | 91.7 | Very high | 91.5 | Very high | 65 Ų | 65 | 70.5 Ų | 70.5 | 54% | 0.537 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -23.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | T34 P40 | T34-A38 HydrophobicContact CG2-CB 4.21Å; T34-A38 VanDerWaalsContact O-CB 3.31Å; T34-A38 WeakPolarHBondContact O-CB 3.48Å; T34-A38 PolarHBondContact O-N 3.36Å; A38-P40 WeakPolarHBondContact O-CD 3.48Å |
| 39 | N | 92.6 | Very high | 91.6 | Very high | 50 Ų | 50 | 65.3 Ų | 65.3 | 27% | 0.267 | 40% | 0.397 | S | S | . | . | trans | -67.1 | 125.2 | -179.3 | -178.5 | 1.3 | 0 | 0 | 0 | 110.4 | A35 F41 G42 G43 | A35-N39 WeakPolarHBondContact O-CB 3.45Å; N39-F41 PolarHBondContact O-N 3.14Å; N39-F41 VanDerWaalsContact O-N 3.16Å; N39-F41 PolarHBondContact OD1-N 2.89Å; N39-G42 PolarHBondContact O-N 3.05Å; N39-G43 PolarHBondContact ND2-N 2.97Å | ||
| 40 | P | 95 | Very high | 92 | Very high | 27 Ų | 27 | 63.9 Ų | 63.9 | 18% | 0.175 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -31.8 | 173.9 | -26.6 | 35.5 | 0 | 0 | 0 | 113.1 | A38 G42 L74 N77 K79 I81 F120 | A38-P40 WeakPolarHBondContact O-CD 3.48Å; P40-G42 VanDerWaalsContact C-N 3.32Å; P40-G42 PolarHBondContact O-N 2.9Å; P40-L74 HydrophobicContact CB-CD1 3.93Å; P40-L74 VanDerWaalsContact O-CD1 3.23Å; P40-L74 WeakPolarHBondContact O-CD1 3.42Å; P40-N77 PolarHBondContact O-ND2 3.34Å; P40-K79 HydrophobicContact CB-CD 4.38Å; P40-I81 HydrophobicContact CB-CG2 3.68Å; P40-I81 HydrophobicContact CG-CG2 3.98Å; P40-F120 HydrophobicContact CB-CZ 4.19Å; P40-F120 HydrophobicContact CG-CE2 4.18Å; P40-F120 HydrophobicContact CG-CZ 3.94Å |
| 41 | F | 95.4 | Very high | 92.4 | Very high | 6 Ų | 6 | 60.5 Ų | 60.5 | 3% | 0.026 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -3.8 | 178.8 | -72.2 | 9.9 | 0 | 0 | 0 | 113.7 | N39 G43 A44 A47 L74 K76 I81 V102 F120 | N39-F41 PolarHBondContact O-N 3.14Å; N39-F41 VanDerWaalsContact O-N 3.16Å; N39-F41 PolarHBondContact OD1-N 2.89Å; F41-G43 PolarHBondContact O-N 3.46Å; F41-A44 WeakPolarHBondContact CB-O 3.47Å; F41-A44 WeakPolarHBondContact O-CB 3.46Å; F41-A44 PolarHBondContact O-N 2.89Å; F41-A44 VanDerWaalsContact O-N 3.1Å; F41-A47 HydrophobicContact CD1-CB 3.54Å; F41-A47 HydrophobicContact CD2-CB 4.46Å; F41-A47 HydrophobicContact CE1-CB 3.57Å; F41-A47 HydrophobicContact CE2-CB 4.47Å; F41-A47 HydrophobicContact CG-CB 4.02Å; F41-A47 HydrophobicContact CZ-CB 4.04Å; F41-L74 HydrophobicContact CD1-CD1 3.95Å; F41-L74 HydrophobicContact CE1-CD1 4.24Å; F41-L74 HydrophobicContact CE1-CD2 4.28Å; F41-K76 VanDerWaalsContact C-NZ 3.31Å; F41-K76 PolarHBondContact O-NZ 2.64Å; F41-I81 HydrophobicContact CE1-CD1 3.98Å; F41-V102 HydrophobicContact CE1-CB 4.49Å; F41-V102 HydrophobicContact CE1-CG1 4.4Å; F41-V102 HydrophobicContact CZ-CB 4.01Å; F41-V102 HydrophobicContact CZ-CG1 3.87Å; F41-V102 WeakPolarHBondContact CZ-O 3.34Å; F41-F120 AromaticContact CD1-CE1 3.92Å; F41-F120 HydrophobicContact CD1-CE1 3.92Å; F41-F120 HydrophobicContact CD1-CZ 4.37Å; F41-F120 HydrophobicContact CD2-CE1 4.23Å; F41-F120 AromaticContact CE1-CD1 3.76Å; F41-F120 HydrophobicContact CE1-CD1 3.76Å; F41-F120 AromaticContact CE1-CE1 3.61Å; F41-F120 HydrophobicContact CE1-CE1 3.61Å; F41-F120 HydrophobicContact CE1-CG 4.49Å; F41-F120 HydrophobicContact CE1-CZ 4.22Å; F41-F120 AromaticContact CE2-CD1 3.94Å; F41-F120 HydrophobicContact CE2-CD1 3.94Å; F41-F120 AromaticContact CE2-CE1 3.95Å; F41-F120 HydrophobicContact CE2-CE1 3.95Å; F41-F120 HydrophobicContact CG-CE1 4.23Å; F41-F120 AromaticContact CZ-CD1 3.44Å; F41-F120 HydrophobicContact CZ-CD1 3.44Å; F41-F120 VanDerWaalsContact CZ-CD1 3.44Å; F41-F120 AromaticContact CZ-CE1 3.63Å; F41-F120 HydrophobicContact CZ-CE1 3.63Å; F41-F120 HydrophobicContact CZ-CG 4.32Å |
| 42 | G | 91.4 | Very high | 92.6 | Very high | 38 Ų | 38 | 57.7 Ų | 57.7 | 39% | 0.392 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 38.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L36 N39 P40 A44 | L36-G42 WeakPolarHBondContact CD1-O 3.22Å; N39-G42 PolarHBondContact O-N 3.05Å; P40-G42 VanDerWaalsContact C-N 3.32Å; P40-G42 PolarHBondContact O-N 2.9Å; G42-A44 VanDerWaalsContact C-N 3.32Å; G42-A44 PolarHBondContact O-N 2.81Å |
| 43 | G | 90.4 | Very high | 92.9 | Very high | 54 Ų | 54 | 55.9 Ų | 55.9 | 56% | 0.557 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.8 | -12 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | N39 F41 | N39-G43 PolarHBondContact ND2-N 2.97Å; F41-G43 PolarHBondContact O-N 3.46Å |
| 44 | A | 94.4 | Very high | 93.4 | Very high | 46 Ų | 46 | 57.8 Ų | 57.8 | 38% | 0.38 | 34% | 0.341 | S | S | . | . | trans | -70.9 | 156.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F41 G42 H46 | F41-A44 WeakPolarHBondContact CB-O 3.47Å; F41-A44 WeakPolarHBondContact O-CB 3.46Å; F41-A44 PolarHBondContact O-N 2.89Å; F41-A44 VanDerWaalsContact O-N 3.1Å; G42-A44 VanDerWaalsContact C-N 3.32Å; G42-A44 PolarHBondContact O-N 2.81Å; A44-H46 WeakPolarHBondContact CB-O 3.34Å | ||
| 45 | S | 95.7 | Very high | 94.1 | Very high | 91 Ų | 91 | 56.4 Ų | 56.4 | 64% | 0.636 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -73 | -35.6 | 176.4 | 58.3 | 0 | 0 | 0 | 0 | 112.8 | ||
| 46 | H | 97.2 | Very high | 95 | Very high | 82 Ų | 82 | 56.9 Ų | 56.9 | 38% | 0.38 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 160.5 | -178.3 | -60.6 | 78 | 0 | 0 | 0 | 110.5 | A44 L101 V102 A103 | A44-H46 WeakPolarHBondContact CB-O 3.34Å; H46-L101 HydrophobicContact CB-CD1 4.08Å; H46-V102 VanDerWaalsContact CA-O 3.3Å; H46-V102 WeakPolarHBondContact CA-O 3.43Å; H46-A103 VanDerWaalsContact CD2-CB 3.46Å; H46-A103 WeakPolarHBondContact CD2-CB 3.41Å |
| 47 | A | 97.4 | Very high | 95.6 | Very high | 6 Ų | 6 | 52.5 Ų | 52.5 | 5% | 0.05 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 142.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | F41 L74 V102 | F41-A47 HydrophobicContact CD1-CB 3.54Å; F41-A47 HydrophobicContact CD2-CB 4.46Å; F41-A47 HydrophobicContact CE1-CB 3.57Å; F41-A47 HydrophobicContact CE2-CB 4.47Å; F41-A47 HydrophobicContact CG-CB 4.02Å; F41-A47 HydrophobicContact CZ-CB 4.04Å; A47-L74 HydrophobicContact CB-CD1 4.24Å; A47-L74 HydrophobicContact CB-CD2 3.64Å; A47-V102 PolarHBondContact N-O 3.42Å; A47-V102 PolarHBondContact O-N 2.94Å |
| 48 | K | 98 | Very high | 96 | Very high | 89 Ų | 89 | 50.2 Ų | 50.2 | 39% | 0.387 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 142 | 171.9 | -172.5 | -173.3 | -85.1 | -137.4 | 0 | 109.4 | I75 E99 V100 | K48-I75 HydrophobicContact CB-CD1 4.46Å; K48-I75 HydrophobicContact CD-CD1 3.7Å; K48-I75 HydrophobicContact CG-CD1 3.75Å; K48-I75 PolarHBondContact O-N 2.89Å; K48-E99 HydrophobicContact CD-CG 3.91Å; K48-E99 WeakPolarHBondContact CD-OE1 3.27Å; K48-E99 WeakPolarHBondContact CE-OE1 3.3Å; K48-E99 HydrophobicContact CG-CG 3.74Å; K48-E99 VanDerWaalsContact CG-OE1 3.23Å; K48-E99 WeakPolarHBondContact CG-OE1 3.23Å; K48-E99 IonicContact NZ-OE1 2.84Å; K48-E99 PolarHBondContact NZ-OE1 2.8Å; K48-E99 IonicContact NZ-OE2 2.93Å; K48-E99 PolarHBondContact NZ-OE2 2.89Å; K48-V100 WeakPolarHBondContact CA-O 3.47Å |
| 49 | G | 98 | Very high | 96.3 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 168.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q73 V100 | G49-Q73 CarbonylContact C-O 3.57Å; G49-Q73 WeakPolarHBondContact CA-O 3.35Å; G49-V100 PolarHBondContact N-O 3.38Å; G49-V100 WeakPolarHBondContact O-CG2 3.39Å; G49-V100 PolarHBondContact O-N 3.03Å |
| 50 | I | 98.2 | Very high | 96.5 | Very high | 69 Ų | 69 | 49.8 Ų | 49.8 | 35% | 0.354 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 135.9 | 176.6 | -61.3 | 171.8 | 0 | 0 | 0 | 108.2 | V72 Q73 I75 D98 | I50-V72 CarbonylContact O-C 3.53Å; I50-V72 VanDerWaalsContact O-CA 3.31Å; I50-V72 WeakPolarHBondContact O-CA 3Å; I50-Q73 PolarHBondContact N-O 2.89Å; I50-Q73 PolarHBondContact O-N 2.69Å; I50-I75 HydrophobicContact CD1-CG1 4.3Å; I50-I75 HydrophobicContact CG1-CD1 4.25Å; I50-I75 HydrophobicContact CG1-CG1 4.06Å; I50-D98 WeakPolarHBondContact CA-O 3.27Å |
| 51 | V | 98.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 129 | 175.7 | 172.1 | 0 | 0 | 0 | 0 | 110.3 | V70 V72 I94 E95 N97 D98 V100 | V51-V70 HydrophobicContact CB-CG1 4.11Å; V51-V70 HydrophobicContact CG1-CG1 3.25Å; V51-V70 HydrophobicContact CG2-CG1 3.84Å; V51-V72 HydrophobicContact CG2-CG2 4.48Å; V51-I94 HydrophobicContact CB-CG2 4.5Å; V51-I94 HydrophobicContact CG1-CG2 4.31Å; V51-I94 HydrophobicContact CG2-CG2 3.75Å; V51-E95 WeakPolarHBondContact CB-O 3.42Å; V51-E95 WeakPolarHBondContact CG1-O 3.41Å; V51-N97 WeakPolarHBondContact O-CA 3.48Å; V51-N97 PolarHBondContact O-N 2.78Å; V51-D98 HydrophobicContact CG2-CB 4.49Å; V51-D98 PolarHBondContact N-O 2.89Å; V51-V100 HydrophobicContact CG2-CB 4.43Å; V51-V100 HydrophobicContact CG2-CG1 3.6Å; V51-V100 HydrophobicContact CG2-CG2 3.91Å |
| 52 | L | 98.1 | Very high | 96.5 | Very high | 49 Ų | 49 | 61.1 Ų | 61.1 | 26% | 0.257 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | -49.1 | 174.3 | -61.4 | 179.8 | 0 | 0 | 0 | 111.7 | R71 Q73 K80 | L52-R71 HydrophobicContact CB-CB 4.42Å; L52-R71 PolarHBondContact N-O 2.83Å; L52-Q73 HydrophobicContact CD1-CB 4.13Å; L52-Q73 HydrophobicContact CD2-CB 4.19Å; L52-Q73 HydrophobicContact CG-CB 4.18Å; L52-K80 HydrophobicContact CD1-CD 3.95Å; L52-K80 HydrophobicContact CD1-CG 4.11Å |
| 53 | E | 97.7 | Very high | 96.8 | Very high | 62 Ų | 62 | 62.8 Ų | 62.8 | 29% | 0.29 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 156.5 | -177.4 | 63.1 | 178.6 | -151.6 | 0 | 0 | 111 | V55 V70 R71 | E53-V55 HydrophobicContact CG-CG2 3.85Å; E53-V55 WeakPolarHBondContact OE1-CG2 3.45Å; E53-V70 WeakPolarHBondContact O-CG1 3.41Å; E53-R71 VanDerWaalsContact CD-NE 3.25Å; E53-R71 HydrophobicContact CG-CB 3.63Å; E53-R71 PolarHBondContact O-N 2.8Å; E53-R71 IonicContact OE1-CZ 3.32Å; E53-R71 IonicContact OE1-NE 3.24Å; E53-R71 PolarHBondContact OE1-NE 2.98Å; E53-R71 IonicContact OE1-NH1 3.62Å; E53-R71 PolarHBondContact OE1-NH1 3.24Å; E53-R71 IonicContact OE1-NH2 2.67Å; E53-R71 PolarHBondContact OE1-NH2 2.67Å; E53-R71 IonicContact OE2-CZ 2.69Å; E53-R71 IonicContact OE2-NE 3.52Å; E53-R71 IonicContact OE2-NH2 2.91Å; E53-R71 PolarHBondContact OE2-NH2 2.91Å |
| 54 | K | 97.8 | Very high | 97 | Very high | 76 Ų | 76 | 65.9 Ų | 65.9 | 33% | 0.33 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 128.4 | 171.1 | -63.3 | 171.6 | 177 | 171.4 | 0 | 109.1 | L91 I94 E95 | K54-L91 HydrophobicContact CB-CD1 4.36Å; K54-L91 HydrophobicContact CD-CD1 4.36Å; K54-L91 HydrophobicContact CD-CD2 4.49Å; K54-L91 HydrophobicContact CD-CG 4.27Å; K54-L91 HydrophobicContact CG-CD1 4.05Å; K54-L91 HydrophobicContact CG-CG 4.47Å; K54-I94 WeakPolarHBondContact CE-O 3.5Å; K54-I94 PolarHBondContact NZ-O 2.89Å; K54-E95 IonicContact NZ-OE1 2.74Å; K54-E95 PolarHBondContact NZ-OE1 3.22Å; K54-E95 IonicContact NZ-OE2 2.98Å; K54-E95 PolarHBondContact NZ-OE2 3.4Å |
| 55 | V | 97.2 | Very high | 97.1 | Very high | 36 Ų | 36 | 65.3 Ų | 65.3 | 22% | 0.218 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 127.6 | -175.7 | -175.7 | 0 | 0 | 0 | 0 | 110.6 | E53 V57 C69 R71 | E53-V55 HydrophobicContact CG-CG2 3.85Å; E53-V55 WeakPolarHBondContact OE1-CG2 3.45Å; V55-V57 HydrophobicContact CG1-CG2 3.99Å; V55-C69 HydrophobicContact CB-CB 4.5Å; V55-C69 PolarHBondContact N-O 2.79Å; V55-C69 CarbonylContact O-C 3.44Å; V55-C69 WeakPolarHBondContact O-CA 3.3Å; V55-C69 PolarHBondContact O-N 2.84Å; V55-R71 HydrophobicContact CG2-CB 4.12Å |
| 56 | G | 97 | Very high | 97.2 | Very high | 51 Ų | 51 | 66.1 Ų | 66.1 | 53% | 0.526 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 116.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 57 | V | 97.2 | Very high | 97.2 | Very high | 23 Ų | 23 | 66 Ų | 66 | 14% | 0.139 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 122.4 | 176.4 | -178.1 | 0 | 0 | 0 | 0 | 109 | V55 R67 C69 I115 P116 V118 | V55-V57 HydrophobicContact CG1-CG2 3.99Å; V57-R67 HydrophobicContact CB-CB 4.49Å; V57-R67 PolarHBondContact N-O 3.33Å; V57-R67 WeakPolarHBondContact O-CA 3.38Å; V57-R67 WeakPolarHBondContact O-CB 3.46Å; V57-R67 PolarHBondContact O-N 3.04Å; V57-C69 HydrophobicContact CG2-CB 3.93Å; V57-I115 HydrophobicContact CG1-CG2 4.24Å; V57-P116 HydrophobicContact CG1-CG 3.59Å; V57-V118 HydrophobicContact CG2-CG2 4.39Å |
| 58 | E | 97.5 | Very high | 97.2 | Very high | 134 Ų | 134 | 70.7 Ų | 70.7 | 63% | 0.626 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66 | 137.4 | 175.9 | -165.5 | 176.4 | 177.6 | 0 | 0 | 111.2 | P116 | E58-P116 WeakPolarHBondContact O-CD 3.31Å; E58-P116 WeakPolarHBondContact O-CG 3.46Å |
| 59 | A | 97.8 | Very high | 97.2 | Very high | 6 Ų | 6 | 66.5 Ų | 66.5 | 5% | 0.05 | 36% | 0.358 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 150.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | N63 A65 R67 D114 | A59-N63 HydrophobicContact CB-CB 4.17Å; A59-A65 HydrophobicContact CB-CB 4.17Å; A59-A65 WeakPolarHBondContact CB-O 3.48Å; A59-A65 PolarHBondContact N-O 2.97Å; A59-R67 HydrophobicContact CB-CG 4.46Å; A59-D114 HydrophobicContact CB-CB 4.29Å |
| 60 | K | 96.8 | Very high | 97.2 | Very high | 100 Ų | 100 | 66.5 Ų | 66.5 | 44% | 0.435 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 145.5 | 169.8 | -67.3 | 177.2 | -173 | 176.2 | 0 | 110.6 | N63 D114 P116 | K60-N63 PolarHBondContact O-N 2.91Å; K60-N63 VanDerWaalsContact O-N 3.11Å; K60-D114 HydrophobicContact CB-CB 4.38Å; K60-D114 WeakPolarHBondContact CG-O 3.21Å; K60-D114 PolarHBondContact N-O 2.83Å; K60-P116 HydrophobicContact CG-CB 4.27Å |
| 61 | Q | 94.7 | Very high | 97.2 | Very high | 150 Ų | 150 | 68 Ų | 68 | 70% | 0.701 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | 140.2 | 165.1 | -62.3 | -57.9 | -40.3 | 0 | 0 | 110.5 | ||
| 62 | P | 96.6 | Very high | 97.2 | Very high | 121 Ų | 121 | 68 Ų | 68 | 79% | 0.786 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -87.5 | 6.7 | 12.6 | 36.5 | -38.1 | 0 | 0 | 0 | 115.3 | ||
| 63 | N | 97 | Very high | 97.2 | Very high | 73 Ų | 73 | 69.2 Ų | 69.2 | 39% | 0.39 | 36% | 0.364 | S | S | . | . | trans | -88.5 | 148.8 | -175.5 | -61 | -19.9 | 0 | 0 | 0 | 111.3 | A59 K60 D114 | A59-N63 HydrophobicContact CB-CB 4.17Å; K60-N63 PolarHBondContact O-N 2.91Å; K60-N63 VanDerWaalsContact O-N 3.11Å; N63-D114 PolarHBondContact ND2-OD2 2.81Å | ||
| 64 | S | 95.1 | Very high | 97.3 | Very high | 119 Ų | 119 | 66.3 Ų | 66.3 | 83% | 0.832 | 35% | 0.35 | S | S | * | . | trans | -118.3 | 107.9 | 168.2 | -176.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 65 | A | 96.4 | Very high | 97.2 | Very high | 34 Ų | 34 | 67.2 Ų | 67.2 | 28% | 0.281 | 36% | 0.358 | S | S | . | . | trans | -164.8 | 153.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | A59 | A59-A65 HydrophobicContact CB-CB 4.17Å; A59-A65 WeakPolarHBondContact CB-O 3.48Å; A59-A65 PolarHBondContact N-O 2.97Å | ||
| 66 | I | 96.9 | Very high | 97.1 | Very high | 109 Ų | 109 | 70.8 Ų | 70.8 | 56% | 0.559 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 107.6 | 169.4 | -59.5 | 173.3 | 0 | 0 | 0 | 108.8 | K68 | I66-K68 PolarHBondContact O-N 2.93Å |
| 67 | R | 97.4 | Very high | 97 | Very high | 80 Ų | 80 | 71.4 Ų | 71.4 | 30% | 0.302 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 116.5 | 177.5 | -59.9 | -68.7 | -175.6 | -154.3 | -2.8 | 109.7 | V57 A59 C69 F84 D114 I115 | V57-R67 HydrophobicContact CB-CB 4.49Å; V57-R67 PolarHBondContact N-O 3.33Å; V57-R67 WeakPolarHBondContact O-CA 3.38Å; V57-R67 WeakPolarHBondContact O-CB 3.46Å; V57-R67 PolarHBondContact O-N 3.04Å; A59-R67 HydrophobicContact CB-CG 4.46Å; R67-C69 PolarHBondContact O-N 3.5Å; R67-F84 HydrophobicContact CB-CE2 4.3Å; R67-D114 IonicContact CZ-OD1 3.37Å; R67-D114 IonicContact CZ-OD2 3.58Å; R67-D114 IonicContact NE-OD1 2.89Å; R67-D114 PolarHBondContact NE-OD1 2.8Å; R67-D114 IonicContact NE-OD2 3.01Å; R67-D114 PolarHBondContact NE-OD2 2.9Å; R67-D114 IonicContact NH2-OD1 2.85Å; R67-D114 PolarHBondContact NH2-OD1 3.38Å; R67-D114 IonicContact NH2-OD2 3.41Å; R67-D114 PolarHBondContact NH2-OD2 3.08Å; R67-I115 HydrophobicContact CB-CD1 4.48Å; R67-I115 HydrophobicContact CB-CG1 4.44Å; R67-I115 HydrophobicContact CB-CG2 4.16Å; R67-I115 HydrophobicContact CG-CD1 4.41Å; R67-I115 HydrophobicContact CG-CG1 4.01Å; R67-I115 HydrophobicContact CG-CG2 4.41Å |
| 68 | K | 97.9 | Very high | 97 | Very high | 104 Ų | 104 | 71.9 Ų | 71.9 | 45% | 0.452 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 115.4 | -179.7 | -56.3 | -55.3 | -179.5 | 175.3 | 0 | 110.4 | I66 F84 V85 L91 | I66-K68 PolarHBondContact O-N 2.93Å; K68-F84 VanDerWaalsContact O-CD2 3.27Å; K68-F84 WeakPolarHBondContact O-CD2 3.31Å; K68-V85 PolarHBondContact O-N 2.85Å; K68-L91 HydrophobicContact CB-CB 4.37Å; K68-L91 HydrophobicContact CB-CD2 4.11Å; K68-L91 HydrophobicContact CD-CD2 4Å; K68-L91 HydrophobicContact CG-CD2 4.23Å |
| 69 | C | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 171.7 | -179.1 | -61.6 | 0 | 0 | 0 | 0 | 110.2 | V55 V57 R67 T82 A83 | V55-C69 HydrophobicContact CB-CB 4.5Å; V55-C69 PolarHBondContact N-O 2.79Å; V55-C69 CarbonylContact O-C 3.44Å; V55-C69 WeakPolarHBondContact O-CA 3.3Å; V55-C69 PolarHBondContact O-N 2.84Å; V57-C69 HydrophobicContact CG2-CB 3.93Å; R67-C69 PolarHBondContact O-N 3.5Å; C69-T82 HydrophobicContact CB-CG2 3.79Å; C69-A83 CarbonylContact C-O 3.53Å; C69-A83 VanDerWaalsContact CA-O 3.26Å; C69-A83 WeakPolarHBondContact CA-O 3.44Å; C69-A83 WeakPolarHBondContact CB-O 3.47Å |
| 70 | V | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 140.2 | 177.6 | -150.5 | 0 | 0 | 0 | 0 | 109.1 | V51 E53 V72 T82 A83 V85 L91 I94 V122 | V51-V70 HydrophobicContact CB-CG1 4.11Å; V51-V70 HydrophobicContact CG1-CG1 3.25Å; V51-V70 HydrophobicContact CG2-CG1 3.84Å; E53-V70 WeakPolarHBondContact O-CG1 3.41Å; V70-V72 HydrophobicContact CB-CG2 4.32Å; V70-T82 WeakPolarHBondContact O-CA 3.44Å; V70-A83 PolarHBondContact N-O 3.46Å; V70-A83 PolarHBondContact O-N 3.18Å; V70-V85 HydrophobicContact CG2-CG2 3.19Å; V70-L91 HydrophobicContact CG2-CD1 4.27Å; V70-I94 HydrophobicContact CG1-CG2 4.41Å; V70-I94 HydrophobicContact CG2-CD1 4.06Å; V70-V122 HydrophobicContact CG2-CG2 4.41Å |
| 71 | R | 98.4 | Very high | 97 | Very high | 102 Ų | 102 | 71.7 Ų | 71.7 | 39% | 0.385 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 124 | 170.2 | -148.8 | 148 | 71.8 | 173.5 | -0.4 | 108 | L52 E53 V55 I81 | L52-R71 HydrophobicContact CB-CB 4.42Å; L52-R71 PolarHBondContact N-O 2.83Å; E53-R71 VanDerWaalsContact CD-NE 3.25Å; E53-R71 HydrophobicContact CG-CB 3.63Å; E53-R71 PolarHBondContact O-N 2.8Å; E53-R71 IonicContact OE1-CZ 3.32Å; E53-R71 IonicContact OE1-NE 3.24Å; E53-R71 PolarHBondContact OE1-NE 2.98Å; E53-R71 IonicContact OE1-NH1 3.62Å; E53-R71 PolarHBondContact OE1-NH1 3.24Å; E53-R71 IonicContact OE1-NH2 2.67Å; E53-R71 PolarHBondContact OE1-NH2 2.67Å; E53-R71 IonicContact OE2-CZ 2.69Å; E53-R71 IonicContact OE2-NE 3.52Å; E53-R71 IonicContact OE2-NH2 2.91Å; E53-R71 PolarHBondContact OE2-NH2 2.91Å; V55-R71 HydrophobicContact CG2-CB 4.12Å; R71-I81 CarbonylContact C-O 3.5Å; R71-I81 WeakPolarHBondContact CA-O 2.82Å |
| 72 | V | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 131.4 | -172.5 | -179.9 | 0 | 0 | 0 | 0 | 109.2 | I50 V51 V70 K80 I81 A83 V100 V102 | I50-V72 CarbonylContact O-C 3.53Å; I50-V72 VanDerWaalsContact O-CA 3.31Å; I50-V72 WeakPolarHBondContact O-CA 3Å; V51-V72 HydrophobicContact CG2-CG2 4.48Å; V70-V72 HydrophobicContact CB-CG2 4.32Å; V72-K80 CarbonylContact O-C 3.59Å; V72-K80 WeakPolarHBondContact O-CA 3.23Å; V72-I81 HydrophobicContact CB-CG1 4.01Å; V72-I81 PolarHBondContact N-O 3.5Å; V72-I81 WeakPolarHBondContact O-CG1 3.19Å; V72-I81 PolarHBondContact O-N 2.84Å; V72-A83 HydrophobicContact CG2-CB 4.41Å; V72-V100 HydrophobicContact CB-CG2 4.45Å; V72-V100 HydrophobicContact CG1-CG2 3.72Å; V72-V100 HydrophobicContact CG2-CG2 3.81Å; V72-V102 HydrophobicContact CG1-CG2 4.08Å; V72-V102 HydrophobicContact CG2-CG2 4.46Å |
| 73 | Q | 98.3 | Very high | 97.2 | Very high | 73 Ų | 73 | 61 Ų | 61 | 34% | 0.341 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 120.8 | 168.9 | -174.7 | 168.1 | -5.5 | 0 | 0 | 109.6 | G49 I50 L52 I75 | G49-Q73 CarbonylContact C-O 3.57Å; G49-Q73 WeakPolarHBondContact CA-O 3.35Å; I50-Q73 PolarHBondContact N-O 2.89Å; I50-Q73 PolarHBondContact O-N 2.69Å; L52-Q73 HydrophobicContact CD1-CB 4.13Å; L52-Q73 HydrophobicContact CD2-CB 4.19Å; L52-Q73 HydrophobicContact CG-CB 4.18Å; Q73-I75 PolarHBondContact O-N 3.1Å |
| 74 | L | 98.1 | Very high | 97.2 | Very high | 1 Ų | 1 | 59.3 Ų | 59.3 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 129.9 | 178.8 | -64.7 | -176.8 | 0 | 0 | 0 | 110.8 | P40 F41 A47 K76 N77 G78 K79 I81 | P40-L74 HydrophobicContact CB-CD1 3.93Å; P40-L74 VanDerWaalsContact O-CD1 3.23Å; P40-L74 WeakPolarHBondContact O-CD1 3.42Å; F41-L74 HydrophobicContact CD1-CD1 3.95Å; F41-L74 HydrophobicContact CE1-CD1 4.24Å; F41-L74 HydrophobicContact CE1-CD2 4.28Å; A47-L74 HydrophobicContact CB-CD1 4.24Å; A47-L74 HydrophobicContact CB-CD2 3.64Å; L74-K76 VanDerWaalsContact C-N 3.32Å; L74-K76 PolarHBondContact O-N 2.91Å; L74-N77 VanDerWaalsContact CB-OD1 3.27Å; L74-N77 WeakPolarHBondContact CB-OD1 3.32Å; L74-G78 VanDerWaalsContact O-CA 3.3Å; L74-G78 WeakPolarHBondContact O-CA 3.46Å; L74-G78 PolarHBondContact O-N 3.39Å; L74-K79 PolarHBondContact N-O 2.94Å; L74-I81 HydrophobicContact CD1-CD1 4.41Å; L74-I81 HydrophobicContact CD1-CG2 4.46Å; L74-I81 HydrophobicContact CD2-CD1 3.73Å; L74-I81 HydrophobicContact CD2-CG1 4.37Å; L74-I81 HydrophobicContact CG-CD1 4.13Å; L74-I81 HydrophobicContact CG-CG1 4.43Å |
| 75 | I | 97.3 | Very high | 97.4 | Very high | 96 Ų | 96 | 53.8 Ų | 53.8 | 49% | 0.492 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -41.1 | -176.5 | -64.2 | 174.5 | 0 | 0 | 0 | 111.1 | K48 I50 Q73 N77 E99 | K48-I75 HydrophobicContact CB-CD1 4.46Å; K48-I75 HydrophobicContact CD-CD1 3.7Å; K48-I75 HydrophobicContact CG-CD1 3.75Å; K48-I75 PolarHBondContact O-N 2.89Å; I50-I75 HydrophobicContact CD1-CG1 4.3Å; I50-I75 HydrophobicContact CG1-CD1 4.25Å; I50-I75 HydrophobicContact CG1-CG1 4.06Å; Q73-I75 PolarHBondContact O-N 3.1Å; I75-N77 VanDerWaalsContact C-N 3.34Å; I75-N77 PolarHBondContact O-N 3.02Å; I75-E99 HydrophobicContact CD1-CG 4.35Å |
| 76 | K | 95.2 | Very high | 97.4 | Very high | 111 Ų | 111 | 53.5 Ų | 53.5 | 48% | 0.483 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69 | -23.8 | -172.7 | 65.4 | 175.9 | 170.2 | -167 | 0 | 115.9 | F41 L74 | F41-K76 VanDerWaalsContact C-NZ 3.31Å; F41-K76 PolarHBondContact O-NZ 2.64Å; L74-K76 VanDerWaalsContact C-N 3.32Å; L74-K76 PolarHBondContact O-N 2.91Å |
| 77 | N | 94.9 | Very high | 97.4 | Very high | 63 Ų | 63 | 52.2 Ų | 52.2 | 34% | 0.337 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -147.4 | 4.4 | -171.3 | 62.4 | 11.6 | 0 | 0 | 0 | 114.3 | P40 L74 I75 K79 | P40-N77 PolarHBondContact O-ND2 3.34Å; L74-N77 VanDerWaalsContact CB-OD1 3.27Å; L74-N77 WeakPolarHBondContact CB-OD1 3.32Å; I75-N77 VanDerWaalsContact C-N 3.34Å; I75-N77 PolarHBondContact O-N 3.02Å; N77-K79 PolarHBondContact O-N 3.39Å; N77-K79 WeakPolarHBondContact OD1-CB 3.07Å; N77-K79 PolarHBondContact OD1-N 3.34Å |
| 78 | G | 95.8 | Very high | 97.2 | Very high | 34 Ų | 34 | 55.1 Ų | 55.1 | 35% | 0.351 | 27% | 0.272 | S | S | . | . | trans | 65 | 4.5 | 179 | 0 | 0 | 0 | 0 | 0 | 115.2 | L74 K80 | L74-G78 VanDerWaalsContact O-CA 3.3Å; L74-G78 WeakPolarHBondContact O-CA 3.46Å; L74-G78 PolarHBondContact O-N 3.39Å; G78-K80 PolarHBondContact O-N 3.16Å | ||
| 79 | K | 96.8 | Very high | 97.1 | Very high | 79 Ų | 79 | 51.8 Ų | 51.8 | 34% | 0.343 | 27% | 0.268 | S | S | . | . | trans | -68.8 | 128.7 | -179.2 | -70.1 | -176.9 | 178.2 | -179.9 | 0 | 109.6 | K37 P40 L74 N77 | K37-K79 PolarHBondContact O-NZ 2.84Å; P40-K79 HydrophobicContact CB-CD 4.38Å; L74-K79 PolarHBondContact N-O 2.94Å; N77-K79 PolarHBondContact O-N 3.39Å; N77-K79 WeakPolarHBondContact OD1-CB 3.07Å; N77-K79 PolarHBondContact OD1-N 3.34Å | ||
| 80 | K | 97.7 | Very high | 97 | Very high | 144 Ų | 144 | 51.8 Ų | 51.8 | 63% | 0.626 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 130.3 | 173.7 | -60.2 | -177.9 | -178 | -177.8 | 0 | 109.6 | L52 V72 G78 | L52-K80 HydrophobicContact CD1-CD 3.95Å; L52-K80 HydrophobicContact CD1-CG 4.11Å; V72-K80 CarbonylContact O-C 3.59Å; V72-K80 WeakPolarHBondContact O-CA 3.23Å; G78-K80 PolarHBondContact O-N 3.16Å |
| 81 | I | 97.4 | Very high | 97 | Very high | 12 Ų | 12 | 53.2 Ų | 53.2 | 6% | 0.062 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 157.4 | 177.5 | 62.8 | 171.1 | 0 | 0 | 0 | 110 | P40 F41 R71 V72 L74 V102 F120 | P40-I81 HydrophobicContact CB-CG2 3.68Å; P40-I81 HydrophobicContact CG-CG2 3.98Å; F41-I81 HydrophobicContact CE1-CD1 3.98Å; R71-I81 CarbonylContact C-O 3.5Å; R71-I81 WeakPolarHBondContact CA-O 2.82Å; V72-I81 HydrophobicContact CB-CG1 4.01Å; V72-I81 PolarHBondContact N-O 3.5Å; V72-I81 WeakPolarHBondContact O-CG1 3.19Å; V72-I81 PolarHBondContact O-N 2.84Å; L74-I81 HydrophobicContact CD1-CD1 4.41Å; L74-I81 HydrophobicContact CD1-CG2 4.46Å; L74-I81 HydrophobicContact CD2-CD1 3.73Å; L74-I81 HydrophobicContact CD2-CG1 4.37Å; L74-I81 HydrophobicContact CG-CD1 4.13Å; L74-I81 HydrophobicContact CG-CG1 4.43Å; I81-V102 HydrophobicContact CD1-CB 4.45Å; I81-V102 HydrophobicContact CD1-CG1 3.95Å; I81-V102 HydrophobicContact CD1-CG2 4.48Å; I81-F120 HydrophobicContact CB-CD2 4.14Å; I81-F120 HydrophobicContact CB-CE2 4.21Å; I81-F120 HydrophobicContact CD1-CD2 4Å; I81-F120 HydrophobicContact CD1-CE2 4.37Å; I81-F120 HydrophobicContact CD1-CG 4.24Å; I81-F120 HydrophobicContact CG2-CD2 4.46Å; I81-F120 HydrophobicContact CG2-CE2 4.03Å |
| 82 | T | 97.9 | Very high | 96.8 | Very high | 48 Ų | 48 | 54.4 Ų | 54.4 | 29% | 0.294 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 129.4 | 167.6 | -50.7 | 0 | 0 | 0 | 0 | 108.7 | C69 V70 V118 | C69-T82 HydrophobicContact CB-CG2 3.79Å; V70-T82 WeakPolarHBondContact O-CA 3.44Å; T82-V118 HydrophobicContact CG2-CG2 3.82Å |
| 83 | A | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 139 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | C69 V70 V72 V102 F120 V122 | C69-A83 CarbonylContact C-O 3.53Å; C69-A83 VanDerWaalsContact CA-O 3.26Å; C69-A83 WeakPolarHBondContact CA-O 3.44Å; C69-A83 WeakPolarHBondContact CB-O 3.47Å; V70-A83 PolarHBondContact N-O 3.46Å; V70-A83 PolarHBondContact O-N 3.18Å; V72-A83 HydrophobicContact CG2-CB 4.41Å; A83-V102 HydrophobicContact CB-CG1 3.88Å; A83-F120 WeakPolarHBondContact CA-O 3.11Å; A83-F120 HydrophobicContact CB-CB 4.14Å; A83-V122 HydrophobicContact CB-CG2 4.06Å |
| 84 | F | 98.2 | Very high | 96.6 | Very high | 36 Ų | 36 | 53.9 Ų | 53.9 | 16% | 0.158 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 141.8 | 175.4 | 177.4 | -117.7 | 0 | 0 | 0 | 111.2 | R67 K68 P86 F105 I115 V118 F120 K121 V122 | R67-F84 HydrophobicContact CB-CE2 4.3Å; K68-F84 VanDerWaalsContact O-CD2 3.27Å; K68-F84 WeakPolarHBondContact O-CD2 3.31Å; F84-P86 HydrophobicContact CD1-CB 4.37Å; F84-P86 HydrophobicContact CE1-CB 4.09Å; F84-F105 HydrophobicContact CB-CE2 3.62Å; F84-F105 HydrophobicContact CB-CZ 4.3Å; F84-F105 AromaticContact CD1-CE2 3.84Å; F84-F105 HydrophobicContact CD1-CE2 3.84Å; F84-F105 AromaticContact CD1-CZ 3.63Å; F84-F105 HydrophobicContact CD1-CZ 3.63Å; F84-F105 HydrophobicContact CE1-CZ 4.3Å; F84-F105 HydrophobicContact CG-CE2 4.02Å; F84-F105 HydrophobicContact CG-CZ 4.21Å; F84-I115 HydrophobicContact CB-CD1 4.28Å; F84-I115 HydrophobicContact CD1-CD1 4.16Å; F84-I115 HydrophobicContact CD2-CD1 3.56Å; F84-I115 HydrophobicContact CE1-CD1 4.38Å; F84-I115 HydrophobicContact CE2-CD1 3.85Å; F84-I115 HydrophobicContact CG-CD1 3.74Å; F84-I115 HydrophobicContact CZ-CD1 4.25Å; F84-V118 HydrophobicContact CB-CG1 3.93Å; F84-F120 PolarHBondContact N-O 3.42Å; F84-K121 CarbonylContact O-C 3.57Å; F84-K121 VanDerWaalsContact O-CA 3.31Å; F84-K121 WeakPolarHBondContact O-CA 3.43Å; F84-V122 PolarHBondContact O-N 3.36Å |
| 85 | V | 97.8 | Very high | 96.5 | Very high | 3 Ų | 3 | 57.5 Ų | 57.5 | 2% | 0.018 | 30% | 0.303 | C | S | . | . | trans | -96.6 | 112.5 | 170.1 | -171.4 | 0 | 0 | 0 | 0 | 108.2 | K68 V70 C90 L91 I94 V122 L130 | K68-V85 PolarHBondContact O-N 2.85Å; V70-V85 HydrophobicContact CG2-CG2 3.19Å; V85-C90 HydrophobicContact CG1-CB 3.57Å; V85-L91 HydrophobicContact CG2-CD1 3.96Å; V85-I94 HydrophobicContact CB-CD1 4.47Å; V85-I94 HydrophobicContact CG1-CD1 3.91Å; V85-I94 HydrophobicContact CG2-CD1 3.66Å; V85-V122 HydrophobicContact CG2-CG2 4.35Å; V85-L130 HydrophobicContact CG1-CD1 3.95Å | ||
| 86 | P | 96.8 | Very high | 96.4 | Very high | 28 Ų | 28 | 58.1 Ų | 58.1 | 18% | 0.182 | 30% | 0.303 | C | S | . | . | trans | -77.5 | 157.9 | -178.4 | 32.4 | -33.8 | 0 | 0 | 0 | 112 | F84 C90 L130 | F84-P86 HydrophobicContact CD1-CB 4.37Å; F84-P86 HydrophobicContact CE1-CB 4.09Å; P86-C90 WeakPolarHBondContact O-CB 3.45Å; P86-C90 PolarHBondContact O-SG 2.97Å; P86-C90 VanDerWaalsContact O-SG 3.37Å; P86-L130 HydrophobicContact CG-CD2 3.92Å | ||
| 87 | N | 96.2 | Very high | 96.4 | Very high | 83 Ų | 83 | 59 Ų | 59 | 44% | 0.444 | 31% | 0.313 | S | S | . | . | S | Bend | trans | 65.7 | 162.6 | -178.6 | -49.1 | -33.2 | 0 | 0 | 0 | 114.3 | Y134 | N87-Y134 HydrophobicContact CB-CD1 4.49Å; N87-Y134 HydrophobicContact CB-CD2 4.03Å; N87-Y134 HydrophobicContact CB-CE1 4.4Å; N87-Y134 HydrophobicContact CB-CE2 3.94Å; N87-Y134 HydrophobicContact CB-CG 4.32Å |
| 88 | D | 95.1 | Very high | 96.5 | Very high | 140 Ų | 140 | 56.9 Ų | 56.9 | 75% | 0.749 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -74.3 | 147 | -179 | -168.7 | 18 | 0 | 0 | 0 | 111.9 | C90 Y134 | D88-C90 PolarHBondContact O-N 3.37Å; D88-Y134 WeakPolarHBondContact O-CE2 3.36Å |
| 89 | G | 94.5 | Very high | 96.6 | Very high | 34 Ų | 34 | 58.1 Ų | 58.1 | 35% | 0.351 | 30% | 0.299 | S | S | . | . | S | Bend | trans | 66.7 | -9.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | L91 N92 | G89-L91 PolarHBondContact O-N 3.46Å; G89-N92 VanDerWaalsContact O-CB 3.29Å; G89-N92 WeakPolarHBondContact O-CB 3.38Å; G89-N92 PolarHBondContact O-N 3.08Å |
| 90 | C | 97 | Very high | 96.6 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -64.5 | -17 | -173.2 | -80.5 | 0 | 0 | 0 | 0 | 115 | V85 P86 D88 N92 F93 L130 Y134 | V85-C90 HydrophobicContact CG1-CB 3.57Å; P86-C90 WeakPolarHBondContact O-CB 3.45Å; P86-C90 PolarHBondContact O-SG 2.97Å; P86-C90 VanDerWaalsContact O-SG 3.37Å; D88-C90 PolarHBondContact O-N 3.37Å; C90-N92 PolarHBondContact O-N 3.32Å; C90-F93 HydrophobicContact CB-CD2 4.36Å; C90-F93 PolarHBondContact O-N 3.24Å; C90-L130 HydrophobicContact CB-CD1 4.33Å; C90-L130 HydrophobicContact CB-CD2 3.88Å; C90-L130 HydrophobicContact CB-CG 4.31Å; C90-L130 VanDerWaalsContact SG-CD2 3.53Å; C90-Y134 VanDerWaalsContact SG-CD2 3.59Å |
| 91 | L | 96.2 | Very high | 96.7 | Very high | 31 Ų | 31 | 49.7 Ų | 49.7 | 16% | 0.162 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -63.4 | -27.1 | 172.7 | -170.9 | 67 | 0 | 0 | 0 | 111.8 | K54 K68 V70 V85 G89 F93 I94 | K54-L91 HydrophobicContact CB-CD1 4.36Å; K54-L91 HydrophobicContact CD-CD1 4.36Å; K54-L91 HydrophobicContact CD-CD2 4.49Å; K54-L91 HydrophobicContact CD-CG 4.27Å; K54-L91 HydrophobicContact CG-CD1 4.05Å; K54-L91 HydrophobicContact CG-CG 4.47Å; K68-L91 HydrophobicContact CB-CB 4.37Å; K68-L91 HydrophobicContact CB-CD2 4.11Å; K68-L91 HydrophobicContact CD-CD2 4Å; K68-L91 HydrophobicContact CG-CD2 4.23Å; V70-L91 HydrophobicContact CG2-CD1 4.27Å; V85-L91 HydrophobicContact CG2-CD1 3.96Å; G89-L91 PolarHBondContact O-N 3.46Å; L91-F93 PolarHBondContact O-N 3.09Å; L91-I94 PolarHBondContact O-N 3.21Å |
| 92 | N | 95.9 | Very high | 96.7 | Very high | 126 Ų | 126 | 49.1 Ų | 49.1 | 67% | 0.674 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -71 | -16.3 | 179.8 | -58.4 | -14.6 | 0 | 0 | 0 | 112.8 | G89 C90 I94 | G89-N92 VanDerWaalsContact O-CB 3.29Å; G89-N92 WeakPolarHBondContact O-CB 3.38Å; G89-N92 PolarHBondContact O-N 3.08Å; C90-N92 PolarHBondContact O-N 3.32Å; N92-I94 VanDerWaalsContact C-N 3.34Å |
| 93 | F | 95.5 | Very high | 96.7 | Very high | 63 Ų | 63 | 47.1 Ų | 47.1 | 28% | 0.276 | 25% | 0.25 | S | C | . | . | G | 310 helix | trans | -85.1 | -10.1 | 176 | -63.4 | -56.6 | 0 | 0 | 0 | 113.5 | C90 L91 L133 | C90-F93 HydrophobicContact CB-CD2 4.36Å; C90-F93 PolarHBondContact O-N 3.24Å; L91-F93 PolarHBondContact O-N 3.09Å; F93-L133 HydrophobicContact CB-CD1 4.04Å; F93-L133 HydrophobicContact CD1-CB 4.18Å; F93-L133 HydrophobicContact CD2-CB 4.04Å; F93-L133 HydrophobicContact CE1-CB 4.24Å; F93-L133 HydrophobicContact CE2-CB 4.13Å; F93-L133 HydrophobicContact CG-CB 4.09Å; F93-L133 HydrophobicContact CG-CD1 4.2Å; F93-L133 HydrophobicContact CZ-CB 4.22Å |
| 94 | I | 96.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -109.9 | 129.1 | -174.5 | -61.3 | 173.5 | 0 | 0 | 0 | 107.6 | V51 K54 V70 V85 L91 N92 V122 V125 L130 | V51-I94 HydrophobicContact CB-CG2 4.5Å; V51-I94 HydrophobicContact CG1-CG2 4.31Å; V51-I94 HydrophobicContact CG2-CG2 3.75Å; K54-I94 WeakPolarHBondContact CE-O 3.5Å; K54-I94 PolarHBondContact NZ-O 2.89Å; V70-I94 HydrophobicContact CG1-CG2 4.41Å; V70-I94 HydrophobicContact CG2-CD1 4.06Å; V85-I94 HydrophobicContact CB-CD1 4.47Å; V85-I94 HydrophobicContact CG1-CD1 3.91Å; V85-I94 HydrophobicContact CG2-CD1 3.66Å; L91-I94 PolarHBondContact O-N 3.21Å; N92-I94 VanDerWaalsContact C-N 3.34Å; I94-V122 HydrophobicContact CD1-CG1 4.17Å; I94-V122 HydrophobicContact CD1-CG2 4.4Å; I94-V125 HydrophobicContact CD1-CG2 4.02Å; I94-V125 HydrophobicContact CG1-CB 4.43Å; I94-V125 HydrophobicContact CG1-CG1 4.04Å; I94-V125 HydrophobicContact CG1-CG2 3.53Å; I94-L130 HydrophobicContact CD1-CD1 4.15Å | ||
| 95 | E | 95.7 | Very high | 96.4 | Very high | 76 Ų | 76 | 49.2 Ų | 49.2 | 36% | 0.355 | 27% | 0.268 | S | S | . | . | trans | -110.9 | 168.1 | 168.2 | -62.8 | -54.4 | 146.8 | 0 | 0 | 112.4 | V51 K54 D98 R140 | V51-E95 WeakPolarHBondContact CB-O 3.42Å; V51-E95 WeakPolarHBondContact CG1-O 3.41Å; K54-E95 IonicContact NZ-OE1 2.74Å; K54-E95 PolarHBondContact NZ-OE1 3.22Å; K54-E95 IonicContact NZ-OE2 2.98Å; K54-E95 PolarHBondContact NZ-OE2 3.4Å; E95-D98 PolarHBondContact N-OD2 2.94Å; E95-D98 WeakPolarHBondContact O-CB 2.95Å; E95-D98 PolarHBondContact O-N 3.37Å; E95-R140 VanDerWaalsContact CG-NH1 3.3Å | ||
| 96 | E | 95.9 | Very high | 96.2 | Very high | 109 Ų | 109 | 52.5 Ų | 52.5 | 51% | 0.509 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 146 | 169.6 | -65.5 | -178.5 | 177.8 | 0 | 0 | 110.2 | D98 | E96-D98 PolarHBondContact O-N 2.99Å; E96-D98 VanDerWaalsContact O-N 3.14Å |
| 97 | N | 96.1 | Very high | 96.1 | Very high | 129 Ų | 129 | 58.1 Ų | 58.1 | 69% | 0.69 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.6 | 2.1 | -173.7 | -50.1 | -38.7 | 0 | 0 | 0 | 115.7 | V51 | V51-N97 WeakPolarHBondContact O-CA 3.48Å; V51-N97 PolarHBondContact O-N 2.78Å |
| 98 | D | 96.3 | Very high | 95.8 | Very high | 19 Ų | 19 | 62 Ų | 62 | 10% | 0.102 | 33% | 0.333 | C | S | . | . | trans | -65.3 | 144.1 | 173.5 | -88.3 | -13.6 | 0 | 0 | 0 | 111.6 | I50 V51 E95 E96 V125 R140 | I50-D98 WeakPolarHBondContact CA-O 3.27Å; V51-D98 HydrophobicContact CG2-CB 4.49Å; V51-D98 PolarHBondContact N-O 2.89Å; E95-D98 PolarHBondContact N-OD2 2.94Å; E95-D98 WeakPolarHBondContact O-CB 2.95Å; E95-D98 PolarHBondContact O-N 3.37Å; E96-D98 PolarHBondContact O-N 2.99Å; E96-D98 VanDerWaalsContact O-N 3.14Å; D98-V125 HydrophobicContact CB-CG1 4.25Å; D98-R140 VanDerWaalsContact CG-NH2 3.26Å; D98-R140 IonicContact OD1-NH2 3.72Å; D98-R140 PolarHBondContact OD1-NH2 2.95Å; D98-R140 IonicContact OD2-CZ 2.68Å; D98-R140 IonicContact OD2-NE 3.41Å; D98-R140 IonicContact OD2-NH2 3.33Å; D98-R140 PolarHBondContact OD2-NH2 2.94Å | ||
| 99 | E | 97.1 | Very high | 95.6 | Very high | 60 Ų | 60 | 57.3 Ų | 57.3 | 28% | 0.28 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 127 | 169.1 | -158.9 | -151.8 | 105.4 | 0 | 0 | 110.5 | K48 I75 A126 | K48-E99 HydrophobicContact CD-CG 3.91Å; K48-E99 WeakPolarHBondContact CD-OE1 3.27Å; K48-E99 WeakPolarHBondContact CE-OE1 3.3Å; K48-E99 HydrophobicContact CG-CG 3.74Å; K48-E99 VanDerWaalsContact CG-OE1 3.23Å; K48-E99 WeakPolarHBondContact CG-OE1 3.23Å; K48-E99 IonicContact NZ-OE1 2.84Å; K48-E99 PolarHBondContact NZ-OE1 2.8Å; K48-E99 IonicContact NZ-OE2 2.93Å; K48-E99 PolarHBondContact NZ-OE2 2.89Å; I75-E99 HydrophobicContact CD1-CG 4.35Å; E99-A126 PolarHBondContact O-N 3.3Å |
| 100 | V | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 143.4 | -179.9 | -66.5 | 0 | 0 | 0 | 0 | 112.2 | K48 G49 V51 V72 V102 V122 K124 V125 | K48-V100 WeakPolarHBondContact CA-O 3.47Å; G49-V100 PolarHBondContact N-O 3.38Å; G49-V100 WeakPolarHBondContact O-CG2 3.39Å; G49-V100 PolarHBondContact O-N 3.03Å; V51-V100 HydrophobicContact CG2-CB 4.43Å; V51-V100 HydrophobicContact CG2-CG1 3.6Å; V51-V100 HydrophobicContact CG2-CG2 3.91Å; V72-V100 HydrophobicContact CB-CG2 4.45Å; V72-V100 HydrophobicContact CG1-CG2 3.72Å; V72-V100 HydrophobicContact CG2-CG2 3.81Å; V100-V102 HydrophobicContact CG2-CG2 4.02Å; V100-V122 HydrophobicContact CB-CG1 4.35Å; V100-V122 HydrophobicContact CG1-CG1 4.35Å; V100-K124 CarbonylContact C-O 3.47Å; V100-K124 VanDerWaalsContact CA-O 3.3Å; V100-K124 WeakPolarHBondContact CA-O 3.41Å; V100-V125 HydrophobicContact CG1-CB 4.48Å; V100-V125 HydrophobicContact CG1-CG1 4.25Å; V100-V125 HydrophobicContact CG1-CG2 4.21Å |
| 101 | L | 98.3 | Very high | 95.6 | Very high | 46 Ų | 46 | 61.8 Ų | 61.8 | 24% | 0.241 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 122.6 | 167.2 | -173.1 | 68.1 | 0 | 0 | 0 | 109.4 | H46 V123 K124 | H46-L101 HydrophobicContact CB-CD1 4.08Å; L101-V123 PolarHBondContact O-N 3.07Å; L101-K124 HydrophobicContact CB-CB 3.74Å; L101-K124 HydrophobicContact CB-CG 4.14Å; L101-K124 HydrophobicContact CD2-CD 3.98Å; L101-K124 HydrophobicContact CD2-CG 3.98Å; L101-K124 PolarHBondContact N-O 3.27Å; L101-K124 PolarHBondContact O-N 3.45Å |
| 102 | V | 98 | Very high | 95.5 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 138.4 | -177.6 | -168.7 | 0 | 0 | 0 | 0 | 110.3 | F41 H46 A47 V72 I81 A83 V100 F120 K121 | F41-V102 HydrophobicContact CE1-CB 4.49Å; F41-V102 HydrophobicContact CE1-CG1 4.4Å; F41-V102 HydrophobicContact CZ-CB 4.01Å; F41-V102 HydrophobicContact CZ-CG1 3.87Å; F41-V102 WeakPolarHBondContact CZ-O 3.34Å; H46-V102 VanDerWaalsContact CA-O 3.3Å; H46-V102 WeakPolarHBondContact CA-O 3.43Å; A47-V102 PolarHBondContact N-O 3.42Å; A47-V102 PolarHBondContact O-N 2.94Å; V72-V102 HydrophobicContact CG1-CG2 4.08Å; V72-V102 HydrophobicContact CG2-CG2 4.46Å; I81-V102 HydrophobicContact CD1-CB 4.45Å; I81-V102 HydrophobicContact CD1-CG1 3.95Å; I81-V102 HydrophobicContact CD1-CG2 4.48Å; A83-V102 HydrophobicContact CB-CG1 3.88Å; V100-V102 HydrophobicContact CG2-CG2 4.02Å; V102-F120 HydrophobicContact CG1-CB 3.6Å; V102-F120 HydrophobicContact CG1-CG 4.26Å; V102-K121 WeakPolarHBondContact CA-O 3.44Å; V102-K121 WeakPolarHBondContact CG1-O 3.22Å |
| 103 | A | 97.8 | Very high | 95.5 | Very high | 6 Ų | 6 | 58.7 Ų | 58.7 | 5% | 0.05 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 161.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | H46 F120 K121 V123 | H46-A103 VanDerWaalsContact CD2-CB 3.46Å; H46-A103 WeakPolarHBondContact CD2-CB 3.41Å; A103-F120 CarbonylContact O-C 3.6Å; A103-F120 WeakPolarHBondContact O-CA 3.44Å; A103-F120 WeakPolarHBondContact O-CB 3.24Å; A103-K121 HydrophobicContact CB-CG 4.38Å; A103-K121 PolarHBondContact N-O 2.93Å; A103-K121 PolarHBondContact O-N 3.27Å; A103-V123 HydrophobicContact CB-CG2 3.5Å; A103-V123 VanDerWaalsContact CB-CG2 3.5Å |
| 104 | G | 96.4 | Very high | 95.6 | Very high | 33 Ų | 33 | 56.7 Ų | 56.7 | 34% | 0.34 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 153 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | G106 | G104-G106 PolarHBondContact O-N 3.3Å |
| 105 | F | 94.7 | Very high | 95.5 | Very high | 48 Ų | 48 | 57 Ų | 57 | 21% | 0.211 | 33% | 0.326 | C | S | . | . | trans | -79.3 | 2.5 | 179.7 | -132.2 | -64.2 | 0 | 0 | 0 | 114.2 | F84 V112 I115 R119 F120 K121 | F84-F105 HydrophobicContact CB-CE2 3.62Å; F84-F105 HydrophobicContact CB-CZ 4.3Å; F84-F105 AromaticContact CD1-CE2 3.84Å; F84-F105 HydrophobicContact CD1-CE2 3.84Å; F84-F105 AromaticContact CD1-CZ 3.63Å; F84-F105 HydrophobicContact CD1-CZ 3.63Å; F84-F105 HydrophobicContact CE1-CZ 4.3Å; F84-F105 HydrophobicContact CG-CE2 4.02Å; F84-F105 HydrophobicContact CG-CZ 4.21Å; F105-V112 HydrophobicContact CB-CB 4.28Å; F105-V112 HydrophobicContact CB-CG2 3.53Å; F105-V112 HydrophobicContact CD1-CB 3.42Å; F105-V112 VanDerWaalsContact CD1-CB 3.42Å; F105-V112 HydrophobicContact CD1-CG1 3.65Å; F105-V112 HydrophobicContact CD1-CG2 3.4Å; F105-V112 VanDerWaalsContact CD1-CG2 3.4Å; F105-V112 HydrophobicContact CD2-CB 4.41Å; F105-V112 HydrophobicContact CE1-CB 3.7Å; F105-V112 HydrophobicContact CE1-CG1 3.63Å; F105-V112 HydrophobicContact CE1-CG2 4.2Å; F105-V112 HydrophobicContact CG-CB 3.8Å; F105-V112 HydrophobicContact CG-CG2 3.59Å; F105-V112 HydrophobicContact CZ-CB 4.32Å; F105-V112 HydrophobicContact CZ-CG1 4.5Å; F105-I115 HydrophobicContact CE2-CD1 4.26Å; F105-I115 HydrophobicContact CZ-CD1 4.12Å; F105-R119 WeakPolarHBondContact CB-O 3.37Å; F105-R119 PolarHBondContact N-O 2.94Å; F105-F120 WeakPolarHBondContact CD2-O 3.42Å; F105-K121 HydrophobicContact CD2-CB 4.28Å; F105-K121 HydrophobicContact CE2-CB 4.33Å | ||
| 106 | G | 93.6 | Very high | 95.6 | Very high | 72 Ų | 72 | 55.8 Ų | 55.8 | 74% | 0.742 | 33% | 0.325 | S | S | * | . | S | Bend | trans | 93 | -12.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | G104 K108 | G104-G106 PolarHBondContact O-N 3.3Å; G106-K108 PolarHBondContact O-N 3.2Å |
| 107 | R | 93.9 | Very high | 95.6 | Very high | 146 Ų | 146 | 53.5 Ų | 53.5 | 55% | 0.551 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -94.3 | 41.8 | 176.8 | -67.1 | -175 | 80.8 | -164.3 | 14.1 | 114.3 | G109 H110 A111 V112 | R107-G109 PolarHBondContact O-N 2.92Å; R107-H110 HydrophobicContact CB-CB 4.04Å; R107-H110 VanDerWaalsContact O-CB 3.32Å; R107-H110 WeakPolarHBondContact O-CB 3.46Å; R107-H110 PolarHBondContact O-CD2 3.22Å; R107-H110 PolarHBondContact O-N 2.95Å; R107-A111 PolarHBondContact NH1-O 3.31Å; R107-V112 HydrophobicContact CB-CG2 4.05Å; R107-V112 VanDerWaalsContact CD-CG2 3.49Å; R107-V112 HydrophobicContact CG-CG2 3.63Å |
| 108 | K | 90.4 | Very high | 95.6 | Very high | 163 Ų | 163 | 47.5 Ų | 47.5 | 71% | 0.709 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 36.5 | 174.1 | -60.7 | -178.1 | 178.5 | 178.9 | 0 | 115.4 | K29 G106 | K29-K108 PolarHBondContact NZ-O 3.45Å; G106-K108 PolarHBondContact O-N 3.2Å |
| 109 | G | 91.2 | Very high | 95.6 | Very high | 42 Ų | 42 | 52.7 Ų | 52.7 | 43% | 0.433 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93.2 | 7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115 | R107 R119 | R107-G109 PolarHBondContact O-N 2.92Å; G109-R119 WeakPolarHBondContact O-CD 3.31Å; G109-R119 PolarHBondContact O-NE 3.35Å |
| 110 | H | 94.6 | Very high | 95.7 | Very high | 105 Ų | 105 | 50.8 Ų | 50.8 | 49% | 0.486 | 31% | 0.307 | S | S | . | . | trans | -92.5 | 152.6 | 170.6 | -58.3 | -65.1 | 0 | 0 | 0 | 111.3 | R107 | R107-H110 HydrophobicContact CB-CB 4.04Å; R107-H110 VanDerWaalsContact O-CB 3.32Å; R107-H110 WeakPolarHBondContact O-CB 3.46Å; R107-H110 PolarHBondContact O-CD2 3.22Å; R107-H110 PolarHBondContact O-N 2.95Å | ||
| 111 | A | 95.9 | Very high | 95.7 | Very high | 23 Ų | 23 | 54.8 Ų | 54.8 | 19% | 0.19 | 33% | 0.325 | C | S | . | . | trans | -66.7 | 153.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | R107 V118 | R107-A111 PolarHBondContact NH1-O 3.31Å; A111-V118 VanDerWaalsContact CA-O 3.27Å; A111-V118 WeakPolarHBondContact CA-O 3.4Å; A111-V118 WeakPolarHBondContact CB-O 3.1Å | ||
| 112 | V | 95.3 | Very high | 95.7 | Very high | 32 Ų | 32 | 52.7 Ų | 52.7 | 19% | 0.194 | 31% | 0.314 | C | S | . | . | trans | -116 | 141 | -175.3 | 175.3 | 0 | 0 | 0 | 0 | 110.2 | F105 R107 I115 | F105-V112 HydrophobicContact CB-CB 4.28Å; F105-V112 HydrophobicContact CB-CG2 3.53Å; F105-V112 HydrophobicContact CD1-CB 3.42Å; F105-V112 VanDerWaalsContact CD1-CB 3.42Å; F105-V112 HydrophobicContact CD1-CG1 3.65Å; F105-V112 HydrophobicContact CD1-CG2 3.4Å; F105-V112 VanDerWaalsContact CD1-CG2 3.4Å; F105-V112 HydrophobicContact CD2-CB 4.41Å; F105-V112 HydrophobicContact CE1-CB 3.7Å; F105-V112 HydrophobicContact CE1-CG1 3.63Å; F105-V112 HydrophobicContact CE1-CG2 4.2Å; F105-V112 HydrophobicContact CG-CB 3.8Å; F105-V112 HydrophobicContact CG-CG2 3.59Å; F105-V112 HydrophobicContact CZ-CB 4.32Å; F105-V112 HydrophobicContact CZ-CG1 4.5Å; R107-V112 HydrophobicContact CB-CG2 4.05Å; R107-V112 VanDerWaalsContact CD-CG2 3.49Å; R107-V112 HydrophobicContact CG-CG2 3.63Å; V112-I115 PolarHBondContact O-N 3Å | ||
| 113 | G | 95 | Very high | 95.7 | Very high | 60 Ų | 60 | 54.9 Ų | 54.9 | 62% | 0.619 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.8 | -139.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | I115 | G113-I115 VanDerWaalsContact C-N 3.34Š|
| 114 | D | 96.6 | Very high | 95.7 | Very high | 22 Ų | 22 | 58.7 Ų | 58.7 | 12% | 0.118 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 4.5 | -178.5 | 63.6 | -6 | 0 | 0 | 0 | 113.6 | A59 K60 N63 R67 P116 | A59-D114 HydrophobicContact CB-CB 4.29Å; K60-D114 HydrophobicContact CB-CB 4.38Å; K60-D114 WeakPolarHBondContact CG-O 3.21Å; K60-D114 PolarHBondContact N-O 2.83Å; N63-D114 PolarHBondContact ND2-OD2 2.81Å; R67-D114 IonicContact CZ-OD1 3.37Å; R67-D114 IonicContact CZ-OD2 3.58Å; R67-D114 IonicContact NE-OD1 2.89Å; R67-D114 PolarHBondContact NE-OD1 2.8Å; R67-D114 IonicContact NE-OD2 3.01Å; R67-D114 PolarHBondContact NE-OD2 2.9Å; R67-D114 IonicContact NH2-OD1 2.85Å; R67-D114 PolarHBondContact NH2-OD1 3.38Å; R67-D114 IonicContact NH2-OD2 3.41Å; R67-D114 PolarHBondContact NH2-OD2 3.08Å; D114-P116 WeakPolarHBondContact O-CD 3.44Å |
| 115 | I | 95.8 | Very high | 95.7 | Very high | 7 Ų | 7 | 57.2 Ų | 57.2 | 4% | 0.036 | 33% | 0.327 | C | S | . | . | trans | -87.9 | 107.8 | -177.3 | -37.1 | -175.5 | 0 | 0 | 0 | 109.4 | V57 R67 F84 F105 V112 G113 G117 V118 | V57-I115 HydrophobicContact CG1-CG2 4.24Å; R67-I115 HydrophobicContact CB-CD1 4.48Å; R67-I115 HydrophobicContact CB-CG1 4.44Å; R67-I115 HydrophobicContact CB-CG2 4.16Å; R67-I115 HydrophobicContact CG-CD1 4.41Å; R67-I115 HydrophobicContact CG-CG1 4.01Å; R67-I115 HydrophobicContact CG-CG2 4.41Å; F84-I115 HydrophobicContact CB-CD1 4.28Å; F84-I115 HydrophobicContact CD1-CD1 4.16Å; F84-I115 HydrophobicContact CD2-CD1 3.56Å; F84-I115 HydrophobicContact CE1-CD1 4.38Å; F84-I115 HydrophobicContact CE2-CD1 3.85Å; F84-I115 HydrophobicContact CG-CD1 3.74Å; F84-I115 HydrophobicContact CZ-CD1 4.25Å; F105-I115 HydrophobicContact CE2-CD1 4.26Å; F105-I115 HydrophobicContact CZ-CD1 4.12Å; V112-I115 PolarHBondContact O-N 3Å; G113-I115 VanDerWaalsContact C-N 3.34Å; I115-G117 PolarHBondContact O-N 2.88Å; I115-V118 HydrophobicContact CB-CB 4.31Å; I115-V118 HydrophobicContact CG2-CB 3.62Å; I115-V118 HydrophobicContact CG2-CG1 4.4Å; I115-V118 HydrophobicContact CG2-CG2 3.54Å | ||
| 116 | P | 96.7 | Very high | 95.7 | Very high | 50 Ų | 50 | 56 Ų | 56 | 33% | 0.325 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -68.9 | 134.1 | -178.7 | 29.4 | -34.8 | 0 | 0 | 0 | 111.4 | V57 E58 K60 D114 V118 | V57-P116 HydrophobicContact CG1-CG 3.59Å; E58-P116 WeakPolarHBondContact O-CD 3.31Å; E58-P116 WeakPolarHBondContact O-CG 3.46Å; K60-P116 HydrophobicContact CG-CB 4.27Å; D114-P116 WeakPolarHBondContact O-CD 3.44Å; P116-V118 PolarHBondContact O-N 3.34Å |
| 117 | G | 95.3 | Very high | 95.7 | Very high | 60 Ų | 60 | 58.2 Ų | 58.2 | 62% | 0.619 | 32% | 0.321 | S | S | * | . | S | Bend | trans | 72 | -18.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | I115 R119 | I115-G117 PolarHBondContact O-N 2.88Å; G117-R119 PolarHBondContact O-N 3.11Å |
| 118 | V | 97.2 | Very high | 95.9 | Very high | 3 Ų | 3 | 52.3 Ų | 52.3 | 2% | 0.018 | 30% | 0.301 | C | S | . | . | trans | -82.7 | 117.1 | -176.2 | -176.3 | 0 | 0 | 0 | 0 | 111.1 | V57 T82 F84 A111 I115 P116 F120 | V57-V118 HydrophobicContact CG2-CG2 4.39Å; T82-V118 HydrophobicContact CG2-CG2 3.82Å; F84-V118 HydrophobicContact CB-CG1 3.93Å; A111-V118 VanDerWaalsContact CA-O 3.27Å; A111-V118 WeakPolarHBondContact CA-O 3.4Å; A111-V118 WeakPolarHBondContact CB-O 3.1Å; I115-V118 HydrophobicContact CB-CB 4.31Å; I115-V118 HydrophobicContact CG2-CB 3.62Å; I115-V118 HydrophobicContact CG2-CG1 4.4Å; I115-V118 HydrophobicContact CG2-CG2 3.54Å; P116-V118 PolarHBondContact O-N 3.34Å; V118-F120 WeakPolarHBondContact CG1-O 3.31Å | ||
| 119 | R | 97.1 | Very high | 96.2 | Very high | 128 Ų | 128 | 46.4 Ų | 46.4 | 48% | 0.483 | 28% | 0.28 | S | S | . | . | trans | -112 | -3.1 | -174.5 | -61.6 | 165 | -175.8 | -173.8 | 4.6 | 113.3 | F105 G109 G117 | F105-R119 WeakPolarHBondContact CB-O 3.37Å; F105-R119 PolarHBondContact N-O 2.94Å; G109-R119 WeakPolarHBondContact O-CD 3.31Å; G109-R119 PolarHBondContact O-NE 3.35Å; G117-R119 PolarHBondContact O-N 3.11Å | ||
| 120 | F | 97.8 | Very high | 96.4 | Very high | 21 Ų | 21 | 44.6 Ų | 44.6 | 9% | 0.092 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 158.6 | -169.4 | -56.6 | -72.7 | 0 | 0 | 0 | 110.8 | P40 F41 I81 A83 F84 V102 A103 F105 V118 | P40-F120 HydrophobicContact CB-CZ 4.19Å; P40-F120 HydrophobicContact CG-CE2 4.18Å; P40-F120 HydrophobicContact CG-CZ 3.94Å; F41-F120 AromaticContact CD1-CE1 3.92Å; F41-F120 HydrophobicContact CD1-CE1 3.92Å; F41-F120 HydrophobicContact CD1-CZ 4.37Å; F41-F120 HydrophobicContact CD2-CE1 4.23Å; F41-F120 AromaticContact CE1-CD1 3.76Å; F41-F120 HydrophobicContact CE1-CD1 3.76Å; F41-F120 AromaticContact CE1-CE1 3.61Å; F41-F120 HydrophobicContact CE1-CE1 3.61Å; F41-F120 HydrophobicContact CE1-CG 4.49Å; F41-F120 HydrophobicContact CE1-CZ 4.22Å; F41-F120 AromaticContact CE2-CD1 3.94Å; F41-F120 HydrophobicContact CE2-CD1 3.94Å; F41-F120 AromaticContact CE2-CE1 3.95Å; F41-F120 HydrophobicContact CE2-CE1 3.95Å; F41-F120 HydrophobicContact CG-CE1 4.23Å; F41-F120 AromaticContact CZ-CD1 3.44Å; F41-F120 HydrophobicContact CZ-CD1 3.44Å; F41-F120 VanDerWaalsContact CZ-CD1 3.44Å; F41-F120 AromaticContact CZ-CE1 3.63Å; F41-F120 HydrophobicContact CZ-CE1 3.63Å; F41-F120 HydrophobicContact CZ-CG 4.32Å; I81-F120 HydrophobicContact CB-CD2 4.14Å; I81-F120 HydrophobicContact CB-CE2 4.21Å; I81-F120 HydrophobicContact CD1-CD2 4Å; I81-F120 HydrophobicContact CD1-CE2 4.37Å; I81-F120 HydrophobicContact CD1-CG 4.24Å; I81-F120 HydrophobicContact CG2-CD2 4.46Å; I81-F120 HydrophobicContact CG2-CE2 4.03Å; A83-F120 WeakPolarHBondContact CA-O 3.11Å; A83-F120 HydrophobicContact CB-CB 4.14Å; F84-F120 PolarHBondContact N-O 3.42Å; V102-F120 HydrophobicContact CG1-CB 3.6Å; V102-F120 HydrophobicContact CG1-CG 4.26Å; A103-F120 CarbonylContact O-C 3.6Å; A103-F120 WeakPolarHBondContact O-CA 3.44Å; A103-F120 WeakPolarHBondContact O-CB 3.24Å; F105-F120 WeakPolarHBondContact CD2-O 3.42Å; V118-F120 WeakPolarHBondContact CG1-O 3.31Å |
| 121 | K | 97.7 | Very high | 96.6 | Very high | 83 Ų | 83 | 43.9 Ų | 43.9 | 36% | 0.361 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 151.6 | 175.2 | 66.9 | 178.1 | -177.2 | 177.4 | 0 | 111.3 | F84 V102 A103 F105 | F84-K121 CarbonylContact O-C 3.57Å; F84-K121 VanDerWaalsContact O-CA 3.31Å; F84-K121 WeakPolarHBondContact O-CA 3.43Å; V102-K121 WeakPolarHBondContact CA-O 3.44Å; V102-K121 WeakPolarHBondContact CG1-O 3.22Å; A103-K121 HydrophobicContact CB-CG 4.38Å; A103-K121 PolarHBondContact N-O 2.93Å; A103-K121 PolarHBondContact O-N 3.27Å; F105-K121 HydrophobicContact CD2-CB 4.28Å; F105-K121 HydrophobicContact CE2-CB 4.33Å |
| 122 | V | 98.1 | Very high | 96.6 | Very high | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.018 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 140 | 172.9 | -177.8 | 0 | 0 | 0 | 0 | 109.9 | V70 A83 F84 V85 I94 V100 V125 L130 | V70-V122 HydrophobicContact CG2-CG2 4.41Å; A83-V122 HydrophobicContact CB-CG2 4.06Å; F84-V122 PolarHBondContact O-N 3.36Å; V85-V122 HydrophobicContact CG2-CG2 4.35Å; I94-V122 HydrophobicContact CD1-CG1 4.17Å; I94-V122 HydrophobicContact CD1-CG2 4.4Å; V100-V122 HydrophobicContact CB-CG1 4.35Å; V100-V122 HydrophobicContact CG1-CG1 4.35Å; V122-V125 HydrophobicContact CG1-CG2 3.97Å; V122-L130 HydrophobicContact CB-CD1 4.41Å; V122-L130 HydrophobicContact CG1-CD1 3.92Å |
| 123 | V | 98 | Very high | 96.7 | Very high | 45 Ų | 45 | 42.5 Ų | 42.5 | 27% | 0.273 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | -41.8 | 179.8 | -177.8 | 0 | 0 | 0 | 0 | 111.9 | L101 A103 L130 | L101-V123 PolarHBondContact O-N 3.07Å; A103-V123 HydrophobicContact CB-CG2 3.5Å; A103-V123 VanDerWaalsContact CB-CG2 3.5Å; V123-L130 PolarHBondContact O-N 3.07Å |
| 124 | K | 97.8 | Very high | 96.7 | Very high | 87 Ų | 87 | 45 Ų | 45 | 38% | 0.378 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 153.3 | 177.6 | -55.8 | -169.7 | 175.7 | -178.7 | 0 | 110.4 | V100 L101 V128 | V100-K124 CarbonylContact C-O 3.47Å; V100-K124 VanDerWaalsContact CA-O 3.3Å; V100-K124 WeakPolarHBondContact CA-O 3.41Å; L101-K124 HydrophobicContact CB-CB 3.74Å; L101-K124 HydrophobicContact CB-CG 4.14Å; L101-K124 HydrophobicContact CD2-CD 3.98Å; L101-K124 HydrophobicContact CD2-CG 3.98Å; L101-K124 PolarHBondContact N-O 3.27Å; L101-K124 PolarHBondContact O-N 3.45Å; K124-V128 CarbonylContact C-O 3.5Å; K124-V128 WeakPolarHBondContact CA-O 3.46Å; K124-V128 VanDerWaalsContact CB-O 3.23Å; K124-V128 WeakPolarHBondContact CB-O 3.44Å |
| 125 | V | 96.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 132.3 | 176.2 | -172.6 | 0 | 0 | 0 | 0 | 106.7 | I94 D98 V100 V122 N127 V128 L130 | I94-V125 HydrophobicContact CD1-CG2 4.02Å; I94-V125 HydrophobicContact CG1-CB 4.43Å; I94-V125 HydrophobicContact CG1-CG1 4.04Å; I94-V125 HydrophobicContact CG1-CG2 3.53Å; D98-V125 HydrophobicContact CB-CG1 4.25Å; V100-V125 HydrophobicContact CG1-CB 4.48Å; V100-V125 HydrophobicContact CG1-CG1 4.25Å; V100-V125 HydrophobicContact CG1-CG2 4.21Å; V122-V125 HydrophobicContact CG1-CG2 3.97Å; V125-N127 VanDerWaalsContact C-N 3.26Å; V125-N127 PolarHBondContact O-N 3.07Å; V125-V128 PolarHBondContact N-O 3.15Å; V125-V128 PolarHBondContact O-N 3.47Å; V125-V128 VanDerWaalsContact O-O 3.09Å; V125-L130 HydrophobicContact CG2-CD1 3.92Å |
| 126 | A | 94.4 | Very high | 96.7 | Very high | 24 Ų | 24 | 52.9 Ų | 52.9 | 20% | 0.198 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 47.5 | 47.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | E99 V128 P141 | E99-A126 PolarHBondContact O-N 3.3Å; A126-V128 PolarHBondContact O-N 3.08Å; A126-P141 HydrophobicContact CB-CG 3.79Å; A126-P141 WeakPolarHBondContact O-CG 3.49Å |
| 127 | N | 94.6 | Very high | 96.7 | Very high | 118 Ų | 118 | 58.2 Ų | 58.2 | 63% | 0.631 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60 | 0.5 | -174.1 | -72.3 | -44.5 | 0 | 0 | 0 | 117.3 | V125 | V125-N127 VanDerWaalsContact C-N 3.26Å; V125-N127 PolarHBondContact O-N 3.07Å |
| 128 | V | 96.5 | Very high | 96.7 | Very high | 21 Ų | 21 | 61.7 Ų | 61.7 | 13% | 0.127 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 142.6 | 176.1 | -175 | 0 | 0 | 0 | 0 | 110.8 | K124 V125 A126 L130 L133 K138 P141 | K124-V128 CarbonylContact C-O 3.5Å; K124-V128 WeakPolarHBondContact CA-O 3.46Å; K124-V128 VanDerWaalsContact CB-O 3.23Å; K124-V128 WeakPolarHBondContact CB-O 3.44Å; V125-V128 PolarHBondContact N-O 3.15Å; V125-V128 PolarHBondContact O-N 3.47Å; V125-V128 VanDerWaalsContact O-O 3.09Å; A126-V128 PolarHBondContact O-N 3.08Å; V128-L130 PolarHBondContact O-N 2.66Å; V128-L133 HydrophobicContact CB-CD1 4.49Å; V128-L133 HydrophobicContact CB-CD2 4.43Å; V128-L133 HydrophobicContact CB-CG 4.44Å; V128-L133 HydrophobicContact CG1-CD1 4.37Å; V128-L133 HydrophobicContact CG1-CD2 3.79Å; V128-L133 HydrophobicContact CG1-CG 3.82Å; V128-K138 HydrophobicContact CG1-CB 3.76Å; V128-K138 HydrophobicContact CG1-CD 3.95Å; V128-K138 HydrophobicContact CG1-CG 4.48Å; V128-P141 HydrophobicContact CG2-CG 4.26Å |
| 129 | S | 97.3 | Very high | 96.5 | Very high | 40 Ų | 40 | 69.3 Ų | 69.3 | 28% | 0.28 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 131.5 | 176.2 | 179.7 | 0 | 0 | 0 | 0 | 111.3 | L131 A132 L133 | S129-L131 PolarHBondContact O-N 3.08Å; S129-L131 PolarHBondContact OG-N 3.21Å; S129-A132 WeakPolarHBondContact O-CA 3.42Å; S129-A132 WeakPolarHBondContact O-CB 3.49Å; S129-A132 PolarHBondContact O-N 3.11Å; S129-L133 PolarHBondContact O-N 2.95Å |
| 130 | L | 96.7 | Very high | 96.1 | Very high | 4 Ų | 4 | 67.3 Ų | 67.3 | 2% | 0.021 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62.8 | -31.1 | 177.1 | -171.9 | 141.2 | 0 | 0 | 0 | 111.9 | V85 P86 C90 I94 V122 V123 V125 V128 A132 Y134 | V85-L130 HydrophobicContact CG1-CD1 3.95Å; P86-L130 HydrophobicContact CG-CD2 3.92Å; C90-L130 HydrophobicContact CB-CD1 4.33Å; C90-L130 HydrophobicContact CB-CD2 3.88Å; C90-L130 HydrophobicContact CB-CG 4.31Å; C90-L130 VanDerWaalsContact SG-CD2 3.53Å; I94-L130 HydrophobicContact CD1-CD1 4.15Å; V122-L130 HydrophobicContact CB-CD1 4.41Å; V122-L130 HydrophobicContact CG1-CD1 3.92Å; V123-L130 PolarHBondContact O-N 3.07Å; V125-L130 HydrophobicContact CG2-CD1 3.92Å; V128-L130 PolarHBondContact O-N 2.66Å; L130-A132 VanDerWaalsContact C-N 3.34Å; L130-Y134 VanDerWaalsContact O-CB 3.26Å; L130-Y134 WeakPolarHBondContact O-CB 3.38Å; L130-Y134 PolarHBondContact O-N 3.4Å |
| 131 | L | 97.2 | Very high | 95.8 | Very high | 90 Ų | 90 | 69.3 Ų | 69.3 | 47% | 0.471 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.9 | -34.1 | 172.9 | -174.3 | 65.2 | 0 | 0 | 0 | 112.4 | S129 K135 | S129-L131 PolarHBondContact O-N 3.08Å; S129-L131 PolarHBondContact OG-N 3.21Å; L131-K135 HydrophobicContact CD1-CD 4.47Å; L131-K135 WeakPolarHBondContact O-CB 3.48Å; L131-K135 WeakPolarHBondContact O-CG 3.26Å; L131-K135 PolarHBondContact O-N 3.45Å; L131-K135 VanDerWaalsContact O-N 3.12Å |
| 132 | A | 97.3 | Very high | 95.1 | Very high | 18 Ų | 18 | 76.6 Ų | 76.6 | 15% | 0.149 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -72.6 | -40 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | S129 L130 K135 G136 K137 K138 | S129-A132 WeakPolarHBondContact O-CA 3.42Å; S129-A132 WeakPolarHBondContact O-CB 3.49Å; S129-A132 PolarHBondContact O-N 3.11Å; L130-A132 VanDerWaalsContact C-N 3.34Å; A132-K135 PolarHBondContact O-N 2.99Å; A132-G136 PolarHBondContact O-N 3.45Å; A132-K137 HydrophobicContact CB-CB 4.46Å; A132-K137 PolarHBondContact O-N 3.44Å; A132-K138 HydrophobicContact CB-CB 4.13Å; A132-K138 HydrophobicContact CB-CD 4.38Å; A132-K138 HydrophobicContact CB-CG 4.17Å; A132-K138 PolarHBondContact O-N 3.32Å |
| 133 | L | 96.1 | Very high | 93.8 | Very high | 8 Ų | 8 | 85 Ų | 85 | 4% | 0.042 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -61.5 | -49.2 | 171.9 | -65 | 173 | 0 | 0 | 0 | 110.9 | F93 V128 S129 K135 G136 K138 R140 | F93-L133 HydrophobicContact CB-CD1 4.04Å; F93-L133 HydrophobicContact CD1-CB 4.18Å; F93-L133 HydrophobicContact CD2-CB 4.04Å; F93-L133 HydrophobicContact CE1-CB 4.24Å; F93-L133 HydrophobicContact CE2-CB 4.13Å; F93-L133 HydrophobicContact CG-CB 4.09Å; F93-L133 HydrophobicContact CG-CD1 4.2Å; F93-L133 HydrophobicContact CZ-CB 4.22Å; V128-L133 HydrophobicContact CB-CD1 4.49Å; V128-L133 HydrophobicContact CB-CD2 4.43Å; V128-L133 HydrophobicContact CB-CG 4.44Å; V128-L133 HydrophobicContact CG1-CD1 4.37Å; V128-L133 HydrophobicContact CG1-CD2 3.79Å; V128-L133 HydrophobicContact CG1-CG 3.82Å; S129-L133 PolarHBondContact O-N 2.95Å; L133-K135 VanDerWaalsContact C-N 3.29Å; L133-K135 PolarHBondContact O-N 3.36Å; L133-G136 PolarHBondContact O-N 2.98Å; L133-K138 WeakPolarHBondContact CD2-O 3.43Å; L133-R140 HydrophobicContact CD2-CB 4.29Å |
| 134 | Y | 96.4 | Very high | 93.6 | Very high | 113 Ų | 113 | 87 Ų | 87 | 44% | 0.443 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -57.8 | -38.7 | 178.8 | 177 | -108.3 | 0 | 0 | 0 | 113.3 | N87 D88 C90 L130 G136 | N87-Y134 HydrophobicContact CB-CD1 4.49Å; N87-Y134 HydrophobicContact CB-CD2 4.03Å; N87-Y134 HydrophobicContact CB-CE1 4.4Å; N87-Y134 HydrophobicContact CB-CE2 3.94Å; N87-Y134 HydrophobicContact CB-CG 4.32Å; D88-Y134 WeakPolarHBondContact O-CE2 3.36Å; C90-Y134 VanDerWaalsContact SG-CD2 3.59Å; L130-Y134 VanDerWaalsContact O-CB 3.26Å; L130-Y134 WeakPolarHBondContact O-CB 3.38Å; L130-Y134 PolarHBondContact O-N 3.4Å; Y134-G136 VanDerWaalsContact C-N 3.31Å |
| 135 | K | 97 | Very high | 93.3 | Very high | 129 Ų | 129 | 87 Ų | 87 | 56% | 0.561 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | 3.5 | 178.1 | -68.1 | -172.6 | 175.9 | -170.5 | 0 | 113.9 | L131 A132 L133 K137 | L131-K135 HydrophobicContact CD1-CD 4.47Å; L131-K135 WeakPolarHBondContact O-CB 3.48Å; L131-K135 WeakPolarHBondContact O-CG 3.26Å; L131-K135 PolarHBondContact O-N 3.45Å; L131-K135 VanDerWaalsContact O-N 3.12Å; A132-K135 PolarHBondContact O-N 2.99Å; L133-K135 VanDerWaalsContact C-N 3.29Å; L133-K135 PolarHBondContact O-N 3.36Å; K135-K137 HydrophobicContact CB-CG 4.05Å; K135-K137 PolarHBondContact O-N 2.96Å |
| 136 | G | 94.5 | Very high | 93.1 | Very high | 65 Ų | 65 | 91.8 Ų | 91.8 | 67% | 0.67 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.5 | 18.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | A132 L133 Y134 | A132-G136 PolarHBondContact O-N 3.45Å; L133-G136 PolarHBondContact O-N 2.98Å; Y134-G136 VanDerWaalsContact C-N 3.31Å |
| 137 | K | 96.3 | Very high | 93.1 | Very high | 162 Ų | 162 | 95.8 Ų | 95.8 | 70% | 0.704 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -80.3 | -21.6 | -179.7 | -67.2 | -167.6 | 175 | -162.6 | 0 | 113.1 | A132 K135 | A132-K137 HydrophobicContact CB-CB 4.46Å; A132-K137 PolarHBondContact O-N 3.44Å; K135-K137 HydrophobicContact CB-CG 4.05Å; K135-K137 PolarHBondContact O-N 2.96Å |
| 138 | K | 95.3 | Very high | 93 | Very high | 133 Ų | 133 | 94.4 Ų | 94.4 | 58% | 0.578 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -140.9 | 150.7 | 175.7 | -71.3 | -166 | 171.1 | -163.6 | 0 | 107.9 | V128 A132 L133 | V128-K138 HydrophobicContact CG1-CB 3.76Å; V128-K138 HydrophobicContact CG1-CD 3.95Å; V128-K138 HydrophobicContact CG1-CG 4.48Å; A132-K138 HydrophobicContact CB-CB 4.13Å; A132-K138 HydrophobicContact CB-CD 4.38Å; A132-K138 HydrophobicContact CB-CG 4.17Å; A132-K138 PolarHBondContact O-N 3.32Å; L133-K138 WeakPolarHBondContact CD2-O 3.43Å |
| 139 | E | 92.8 | Very high | 92.7 | Very high | 163 Ų | 163 | 99.3 Ų | 99.3 | 76% | 0.762 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -96.7 | 160.4 | 171.4 | -63.6 | -175.5 | 173.3 | 0 | 0 | 110.4 | ||
| 140 | R | 90.3 | Very high | 92.4 | Very high | 86 Ų | 86 | 103.5 Ų | 103.5 | 33% | 0.325 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -69.5 | 131.2 | 173.1 | -174.1 | 177.2 | 176.2 | -149.1 | -1.8 | 108.1 | E95 D98 L133 R142 | E95-R140 VanDerWaalsContact CG-NH1 3.3Å; D98-R140 VanDerWaalsContact CG-NH2 3.26Å; D98-R140 IonicContact OD1-NH2 3.72Å; D98-R140 PolarHBondContact OD1-NH2 2.95Å; D98-R140 IonicContact OD2-CZ 2.68Å; D98-R140 IonicContact OD2-NE 3.41Å; D98-R140 IonicContact OD2-NH2 3.33Å; D98-R140 PolarHBondContact OD2-NH2 2.94Å; L133-R140 HydrophobicContact CD2-CB 4.29Å; R140-R142 PolarHBondContact O-N 3.45Å |
| 141 | P | 89.6 | Confident | 92.1 | Very high | 62 Ų | 62 | 111.2 Ų | 111.2 | 40% | 0.403 | 56% | 0.558 | S | S | . | * | P | Polyproline II helix | trans | -62.4 | 138.9 | 176.4 | 26.4 | -32.7 | 0 | 0 | 0 | 109.1 | A126 V128 | A126-P141 HydrophobicContact CB-CG 3.79Å; A126-P141 WeakPolarHBondContact O-CG 3.49Å; V128-P141 HydrophobicContact CG2-CG 4.26Å |
| 142 | R | 83.5 | Confident | 91.7 | Very high | 236 Ų | 236 | 112.9 Ų | 112.9 | 89% | 0.891 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -77.2 | 125.9 | 170.7 | -58.2 | -176.5 | -156 | 173.9 | 6.3 | 107.5 | R140 | R140-R142 PolarHBondContact O-N 3.45Š|
| 143 | S | 70.7 | Confident | 91.1 | Very high | 180 Ų | 180 | 121.5 Ų | 121.5 | 100% | 1.259 | 60% | 0.603 | S | S | * | * | trans | -72.1 | 0 | 167.5 | -47.7 | 0 | 0 | 0 | 0 | 110.3 |
Retrieved 143 of 143 residues in 39.3 ms
(Link to these results)