| 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 | Low | 69.5 | Low | 202 Ų | 202 | 124.4 Ų | 124.4 | 100% | 0.995 | 62% | 0.618 | S | S | * | * | 0 | 153.6 | 0 | -76.4 | 164.7 | 159.4 | 0 | 0 | 108.8 | E52 | M1-E52 HydrophobicContact CE-CG 4.49Å; M1-E52 WeakPolarHBondContact CE-OE2 3.48Å | |||
| 2 | K | 65.1 | Low | 69.7 | Low | 105 Ų | 105 | 129.3 Ų | 129.3 | 46% | 0.457 | 63% | 0.633 | S | S | . | * | trans | -119.4 | 135.9 | 162.3 | -65.9 | -170 | -178.5 | -171 | 0 | 108.5 | L24 F25 | K2-L24 HydrophobicContact CD-CD2 4.3Å; K2-L24 HydrophobicContact CD-CG 4.15Å; K2-L24 PolarHBondContact NZ-O 3.12Å; K2-F25 HydrophobicContact CB-CE1 4.31Å; K2-F25 HydrophobicContact CB-CE2 4.49Å; K2-F25 HydrophobicContact CB-CZ 3.79Å; K2-F25 HydrophobicContact CD-CD1 4.23Å; K2-F25 HydrophobicContact CD-CE1 3.81Å; K2-F25 HydrophobicContact CD-CE2 4.2Å; K2-F25 HydrophobicContact CD-CZ 3.81Å; K2-F25 HydrophobicContact CG-CE1 3.86Å; K2-F25 HydrophobicContact CG-CZ 3.83Å | ||
| 3 | S | 73.3 | Confident | 70.7 | Confident | 127 Ų | 127 | 123.9 Ų | 123.9 | 89% | 0.888 | 61% | 0.613 | S | S | * | * | trans | -83.5 | 138.5 | 172.4 | -55.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 4 | L | 73.4 | Confident | 71.8 | Confident | 97 Ų | 97 | 115.9 Ų | 115.9 | 51% | 0.508 | 57% | 0.573 | S | S | . | * | trans | -122.2 | 145.8 | -174.2 | -76.7 | 153.3 | 0 | 0 | 0 | 110.3 | L21 L24 | L4-L21 HydrophobicContact CD1-CD2 3.65Å; L4-L21 HydrophobicContact CD2-CD2 4.19Å; L4-L24 HydrophobicContact CD2-CD2 3.45Å; L4-L24 VanDerWaalsContact CD2-CD2 3.45Å; L4-L24 HydrophobicContact CG-CD2 4.4Å | ||
| 5 | I | 77.6 | Confident | 72.5 | Confident | 153 Ų | 153 | 113.6 Ų | 113.6 | 79% | 0.785 | 56% | 0.56 | S | S | * | * | trans | -118.6 | 92.5 | 174.8 | -59.2 | 179.2 | 0 | 0 | 0 | 108.9 | K7 | I5-K7 PolarHBondContact O-N 3.08Š| ||
| 6 | I | 71.2 | Confident | 73.2 | Confident | 72 Ų | 72 | 111.2 Ų | 111.2 | 37% | 0.369 | 55% | 0.547 | S | S | . | . | trans | -71.5 | 111.6 | 175.4 | -76.2 | 167.1 | 0 | 0 | 0 | 109.7 | T8 I11 L46 L47 | I6-T8 HydrophobicContact CG2-CG2 4.31Å; I6-T8 PolarHBondContact O-N 3.29Å; I6-I11 HydrophobicContact CB-CD1 4.28Å; I6-I11 HydrophobicContact CG1-CD1 4.05Å; I6-I11 HydrophobicContact CG2-CD1 3.69Å; I6-L46 HydrophobicContact CD1-CD2 3.82Å; I6-L46 HydrophobicContact CD1-CG 4.29Å; I6-L47 HydrophobicContact CG2-CD2 3.99Å | ||
| 7 | K | 75.7 | Confident | 74 | Confident | 138 Ų | 138 | 105.5 Ų | 105.5 | 60% | 0.6 | 52% | 0.52 | S | S | * | . | trans | -93.8 | 92.5 | 170.9 | -68 | 176.8 | -176.4 | 166.2 | 0 | 109.1 | I5 K9 Y10 | I5-K7 PolarHBondContact O-N 3.08Å; K7-K9 PolarHBondContact O-N 2.97Å; K7-Y10 HydrophobicContact CB-CD2 3.71Å; K7-Y10 HydrophobicContact CB-CE2 4.2Å; K7-Y10 HydrophobicContact CD-CD2 4.4Å; K7-Y10 HydrophobicContact CD-CE2 4.27Å; K7-Y10 PolarHBondContact O-N 3.37Å | ||
| 8 | T | 67.1 | Low | 74.8 | Confident | 100 Ų | 100 | 101.1 Ų | 101.1 | 61% | 0.613 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.1 | -26.8 | -176.1 | 54.5 | 0 | 0 | 0 | 0 | 115.8 | I6 Y10 L47 | I6-T8 HydrophobicContact CG2-CG2 4.31Å; I6-T8 PolarHBondContact O-N 3.29Å; T8-Y10 PolarHBondContact O-N 3.14Å; T8-L47 HydrophobicContact CG2-CD2 3.79Å |
| 9 | K | 71 | Confident | 75.1 | Confident | 178 Ų | 178 | 101.5 Ų | 101.5 | 77% | 0.774 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -19.2 | 176.3 | -172.6 | 173.3 | 178.7 | -174.2 | 0 | 114.6 | K7 | K7-K9 PolarHBondContact O-N 2.97Š|
| 10 | Y | 69.1 | Low | 75.5 | Confident | 159 Ų | 159 | 102 Ų | 102 | 62% | 0.624 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.4 | -19 | -172.5 | -58.4 | -80.6 | 0 | 0 | 0 | 114.5 | K7 T8 | K7-Y10 HydrophobicContact CB-CD2 3.71Å; K7-Y10 HydrophobicContact CB-CE2 4.2Å; K7-Y10 HydrophobicContact CD-CD2 4.4Å; K7-Y10 HydrophobicContact CD-CE2 4.27Å; K7-Y10 PolarHBondContact O-N 3.37Å; T8-Y10 PolarHBondContact O-N 3.14Å |
| 11 | I | 64.6 | Low | 76 | Confident | 37 Ų | 37 | 97.6 Ų | 97.6 | 19% | 0.19 | 48% | 0.479 | C | S | . | . | trans | -88.9 | 130 | -177.3 | -49.4 | -169.9 | 0 | 0 | 0 | 109.7 | I6 T13 V17 L43 | I6-I11 HydrophobicContact CB-CD1 4.28Å; I6-I11 HydrophobicContact CG1-CD1 4.05Å; I6-I11 HydrophobicContact CG2-CD1 3.69Å; I11-T13 WeakPolarHBondContact CG2-O 3.44Å; I11-V17 HydrophobicContact CD1-CG2 4.14Å; I11-V17 HydrophobicContact CG2-CG2 3.52Å; I11-L43 HydrophobicContact CB-CD1 4.48Å; I11-L43 HydrophobicContact CB-CD2 4.48Å; I11-L43 HydrophobicContact CG2-CD1 3.67Å; I11-L43 HydrophobicContact CG2-CD2 3.96Å; I11-L43 HydrophobicContact CG2-CG 4.5Å | ||
| 12 | K | 71.9 | Confident | 77.2 | Confident | 183 Ų | 183 | 89.2 Ų | 89.2 | 80% | 0.796 | 44% | 0.438 | S | S | * | . | trans | -107.2 | -35.6 | -177 | -67.3 | 179.7 | 179.3 | 175.7 | 0 | 114 | ||||
| 13 | T | 83.5 | Confident | 77.8 | Confident | 60 Ų | 60 | 89.3 Ų | 89.3 | 37% | 0.368 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -143.6 | 174.3 | -175 | 78.9 | 0 | 0 | 0 | 0 | 110.4 | I11 E15 H16 | I11-T13 WeakPolarHBondContact CG2-O 3.44Å; T13-E15 WeakPolarHBondContact CB-OE2 3.43Å; T13-E15 PolarHBondContact OG1-OE2 2.95Å; T13-H16 PolarHBondContact OG1-N 3.17Å |
| 14 | I | 85.4 | Confident | 78 | Confident | 12 Ų | 12 | 86.9 Ų | 86.9 | 6% | 0.062 | 42% | 0.42 | C | S | . | . | S | Bend | trans | -81.7 | -30.5 | 179.8 | -173.5 | 63.7 | 0 | 0 | 0 | 111.8 | H16 V17 L18 L32 I40 L46 | I14-H16 VanDerWaalsContact C-N 3.29Å; I14-H16 PolarHBondContact O-N 3.49Å; I14-V17 HydrophobicContact CD1-CB 4.32Å; I14-V17 HydrophobicContact CD1-CG2 4.35Å; I14-V17 WeakPolarHBondContact O-CA 3.44Å; I14-V17 VanDerWaalsContact O-CB 3.29Å; I14-V17 WeakPolarHBondContact O-CB 3.28Å; I14-V17 PolarHBondContact O-N 3.42Å; I14-L18 PolarHBondContact O-N 3.45Å; I14-L32 HydrophobicContact CD1-CD1 4.31Å; I14-I40 HydrophobicContact CD1-CG2 3.99Å; I14-L46 HydrophobicContact CD1-CB 4.11Å; I14-L46 HydrophobicContact CD1-CD2 3.96Å; I14-L46 HydrophobicContact CD1-CG 4.47Å |
| 15 | E | 83.3 | Confident | 78 | Confident | 81 Ų | 81 | 85.4 Ų | 85.4 | 38% | 0.379 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63 | -37.7 | 176.2 | -49.1 | 69.7 | -143.5 | 0 | 0 | 110.6 | T13 V17 L18 Q19 | T13-E15 WeakPolarHBondContact CB-OE2 3.43Å; T13-E15 PolarHBondContact OG1-OE2 2.95Å; E15-V17 PolarHBondContact O-N 3.37Å; E15-L18 PolarHBondContact O-N 3.17Å; E15-L18 VanDerWaalsContact O-N 3.17Å; E15-Q19 WeakPolarHBondContact O-CB 3.21Å; E15-Q19 PolarHBondContact O-N 2.96Å |
| 16 | H | 83.3 | Confident | 77.8 | Confident | 75 Ų | 75 | 85.5 Ų | 85.5 | 35% | 0.347 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.5 | -28.5 | 173.3 | -167.7 | 51.2 | 0 | 0 | 0 | 112.6 | T13 I14 E20 | T13-H16 PolarHBondContact OG1-N 3.17Å; I14-H16 VanDerWaalsContact C-N 3.29Å; I14-H16 PolarHBondContact O-N 3.49Å; H16-E20 WeakPolarHBondContact O-CG 3.1Å; H16-E20 PolarHBondContact O-N 2.91Å; H16-E20 VanDerWaalsContact O-N 3.17Å |
| 17 | V | 85.9 | Confident | 77.9 | Confident | 14 Ų | 14 | 87 Ų | 87 | 9% | 0.085 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -72.5 | -44.8 | 171.4 | -172 | 0 | 0 | 0 | 0 | 110.5 | I11 I14 E15 Q19 E20 L21 L32 L43 L46 | I11-V17 HydrophobicContact CD1-CG2 4.14Å; I11-V17 HydrophobicContact CG2-CG2 3.52Å; I14-V17 HydrophobicContact CD1-CB 4.32Å; I14-V17 HydrophobicContact CD1-CG2 4.35Å; I14-V17 WeakPolarHBondContact O-CA 3.44Å; I14-V17 VanDerWaalsContact O-CB 3.29Å; I14-V17 WeakPolarHBondContact O-CB 3.28Å; I14-V17 PolarHBondContact O-N 3.42Å; E15-V17 PolarHBondContact O-N 3.37Å; V17-Q19 VanDerWaalsContact C-N 3.29Å; V17-Q19 PolarHBondContact O-N 3.26Å; V17-E20 PolarHBondContact O-N 2.95Å; V17-L21 HydrophobicContact CG1-CD1 4.05Å; V17-L21 HydrophobicContact CG1-CG 4.4Å; V17-L21 WeakPolarHBondContact O-CB 3.29Å; V17-L21 WeakPolarHBondContact O-CG 3.1Å; V17-L21 PolarHBondContact O-N 3.25Å; V17-L32 HydrophobicContact CG1-CD1 4.48Å; V17-L43 HydrophobicContact CG2-CD1 4.14Å; V17-L46 HydrophobicContact CB-CD2 4.34Å; V17-L46 HydrophobicContact CG1-CD2 3.89Å; V17-L46 HydrophobicContact CG2-CD2 3.88Å |
| 18 | L | 88.4 | Confident | 77.8 | Confident | 26 Ų | 26 | 83.3 Ų | 83.3 | 14% | 0.136 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -58.7 | -41.9 | 176.4 | -64.4 | 170.5 | 0 | 0 | 0 | 111.2 | I14 E15 L21 N22 I29 H30 L32 | I14-L18 PolarHBondContact O-N 3.45Å; E15-L18 PolarHBondContact O-N 3.17Å; E15-L18 VanDerWaalsContact O-N 3.17Å; L18-L21 CarbonylContact O-C 3.59Å; L18-L21 WeakPolarHBondContact O-CB 3.2Å; L18-L21 PolarHBondContact O-N 3.31Å; L18-N22 VanDerWaalsContact O-CG 3.27Å; L18-N22 PolarHBondContact O-N 3.39Å; L18-N22 PolarHBondContact O-OD1 2.59Å; L18-I29 HydrophobicContact CD2-CG2 3.94Å; L18-H30 WeakPolarHBondContact CD1-O 3.41Å; L18-L32 HydrophobicContact CD2-CD1 3.86Å; L18-L32 HydrophobicContact CD2-CG 3.79Å |
| 19 | Q | 82.1 | Confident | 78.4 | Confident | 110 Ų | 110 | 79 Ų | 79 | 51% | 0.514 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.2 | -42.9 | 177.4 | -165.2 | 175 | 38.7 | 0 | 0 | 113 | E15 V17 L21 N22 N23 | E15-Q19 WeakPolarHBondContact O-CB 3.21Å; E15-Q19 PolarHBondContact O-N 2.96Å; V17-Q19 VanDerWaalsContact C-N 3.29Å; V17-Q19 PolarHBondContact O-N 3.26Å; Q19-L21 VanDerWaalsContact C-N 3.27Å; Q19-L21 PolarHBondContact O-N 3.48Å; Q19-N22 WeakPolarHBondContact O-CB 3.14Å; Q19-N22 PolarHBondContact O-N 3.12Å; Q19-N23 VanDerWaalsContact O-CG 3.3Å; Q19-N23 PolarHBondContact O-N 2.64Å; Q19-N23 PolarHBondContact O-ND2 3.45Å |
| 20 | E | 82.6 | Confident | 79 | Confident | 111 Ų | 111 | 72.3 Ų | 72.3 | 52% | 0.519 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.9 | -33 | 172.3 | -77.3 | -70.2 | 103.1 | 0 | 0 | 112.2 | H16 V17 L24 | H16-E20 WeakPolarHBondContact O-CG 3.1Å; H16-E20 PolarHBondContact O-N 2.91Å; H16-E20 VanDerWaalsContact O-N 3.17Å; V17-E20 PolarHBondContact O-N 2.95Å; E20-L24 VanDerWaalsContact O-CB 3.29Å; E20-L24 WeakPolarHBondContact O-CB 3.14Å; E20-L24 PolarHBondContact O-N 3.35Å |
| 21 | L | 85.2 | Confident | 79.8 | Confident | 9 Ų | 9 | 67.9 Ų | 67.9 | 5% | 0.047 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -68.8 | -41.3 | 172.3 | -69.2 | 168.3 | 0 | 0 | 0 | 111.7 | L4 V17 L18 Q19 N23 L24 F25 I29 L32 | L4-L21 HydrophobicContact CD1-CD2 3.65Å; L4-L21 HydrophobicContact CD2-CD2 4.19Å; V17-L21 HydrophobicContact CG1-CD1 4.05Å; V17-L21 HydrophobicContact CG1-CG 4.4Å; V17-L21 WeakPolarHBondContact O-CB 3.29Å; V17-L21 WeakPolarHBondContact O-CG 3.1Å; V17-L21 PolarHBondContact O-N 3.25Å; L18-L21 CarbonylContact O-C 3.59Å; L18-L21 WeakPolarHBondContact O-CB 3.2Å; L18-L21 PolarHBondContact O-N 3.31Å; Q19-L21 VanDerWaalsContact C-N 3.27Å; Q19-L21 PolarHBondContact O-N 3.48Å; L21-N23 VanDerWaalsContact C-N 3.32Å; L21-N23 PolarHBondContact O-N 3.17Å; L21-L24 PolarHBondContact O-N 3.48Å; L21-F25 HydrophobicContact CB-CD2 4.43Å; L21-F25 HydrophobicContact CD2-CD2 4.11Å; L21-F25 HydrophobicContact CD2-CE2 3.73Å; L21-F25 WeakPolarHBondContact O-CB 3.46Å; L21-F25 WeakPolarHBondContact O-CD2 3.39Å; L21-F25 PolarHBondContact O-N 2.92Å; L21-I29 HydrophobicContact CB-CD1 3.89Å; L21-L32 HydrophobicContact CD1-CD1 3.8Å; L21-L32 HydrophobicContact CD1-CD2 3.94Å; L21-L32 HydrophobicContact CD1-CG 4.17Å |
| 22 | N | 82.4 | Confident | 81 | Confident | 26 Ų | 26 | 66.6 Ų | 66.6 | 14% | 0.139 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -56.8 | -48.3 | 174.3 | -67.9 | -3.8 | 0 | 0 | 0 | 110.7 | L18 Q19 L24 Q26 I27 I29 | L18-N22 VanDerWaalsContact O-CG 3.27Å; L18-N22 PolarHBondContact O-N 3.39Å; L18-N22 PolarHBondContact O-OD1 2.59Å; Q19-N22 WeakPolarHBondContact O-CB 3.14Å; Q19-N22 PolarHBondContact O-N 3.12Å; N22-L24 PolarHBondContact O-N 2.79Å; N22-Q26 WeakPolarHBondContact O-CA 3.45Å; N22-Q26 PolarHBondContact O-N 3.47Å; N22-I27 PolarHBondContact OD1-O 3.35Å; N22-I29 WeakPolarHBondContact OD1-CA 3.47Å; N22-I29 VanDerWaalsContact OD1-CB 3.28Å; N22-I29 WeakPolarHBondContact OD1-CB 3.38Å; N22-I29 PolarHBondContact OD1-N 2.89Å; N22-I29 PolarHBondContact OD1-O 3.43Å; N22-I29 VanDerWaalsContact OD1-O 3.1Å |
| 23 | N | 75.9 | Confident | 81.9 | Confident | 107 Ų | 107 | 58.2 Ų | 58.2 | 57% | 0.572 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -60.4 | -43.7 | 176.3 | -66 | -21.1 | 0 | 0 | 0 | 112 | Q19 L21 | Q19-N23 VanDerWaalsContact O-CG 3.3Å; Q19-N23 PolarHBondContact O-N 2.64Å; Q19-N23 PolarHBondContact O-ND2 3.45Å; L21-N23 VanDerWaalsContact C-N 3.32Å; L21-N23 PolarHBondContact O-N 3.17Å |
| 24 | L | 77.7 | Confident | 82.1 | Confident | 77 Ų | 77 | 55.9 Ų | 55.9 | 40% | 0.403 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -74.7 | -32.5 | -177.7 | -177 | 65.6 | 0 | 0 | 0 | 113.8 | K2 L4 E20 L21 N22 | K2-L24 HydrophobicContact CD-CD2 4.3Å; K2-L24 HydrophobicContact CD-CG 4.15Å; K2-L24 PolarHBondContact NZ-O 3.12Å; L4-L24 HydrophobicContact CD2-CD2 3.45Å; L4-L24 VanDerWaalsContact CD2-CD2 3.45Å; L4-L24 HydrophobicContact CG-CD2 4.4Å; E20-L24 VanDerWaalsContact O-CB 3.29Å; E20-L24 WeakPolarHBondContact O-CB 3.14Å; E20-L24 PolarHBondContact O-N 3.35Å; L21-L24 PolarHBondContact O-N 3.48Å; N22-L24 PolarHBondContact O-N 2.79Å |
| 25 | F | 75.2 | Confident | 82 | Confident | 65 Ų | 65 | 59.3 Ų | 59.3 | 29% | 0.285 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -98.4 | -16.4 | -176.5 | -78.3 | -92.9 | 0 | 0 | 0 | 113.8 | K2 L21 I27 I29 | K2-F25 HydrophobicContact CB-CE1 4.31Å; K2-F25 HydrophobicContact CB-CE2 4.49Å; K2-F25 HydrophobicContact CB-CZ 3.79Å; K2-F25 HydrophobicContact CD-CD1 4.23Å; K2-F25 HydrophobicContact CD-CE1 3.81Å; K2-F25 HydrophobicContact CD-CE2 4.2Å; K2-F25 HydrophobicContact CD-CZ 3.81Å; K2-F25 HydrophobicContact CG-CE1 3.86Å; K2-F25 HydrophobicContact CG-CZ 3.83Å; L21-F25 HydrophobicContact CB-CD2 4.43Å; L21-F25 HydrophobicContact CD2-CD2 4.11Å; L21-F25 HydrophobicContact CD2-CE2 3.73Å; L21-F25 WeakPolarHBondContact O-CB 3.46Å; L21-F25 WeakPolarHBondContact O-CD2 3.39Å; L21-F25 PolarHBondContact O-N 2.92Å; F25-I27 PolarHBondContact O-N 2.76Å; F25-I29 HydrophobicContact CB-CD1 3.96Å; F25-I29 HydrophobicContact CD2-CD1 3.98Å; F25-I29 HydrophobicContact CG-CD1 4.03Å |
| 26 | Q | 73 | Confident | 81.9 | Confident | 155 Ų | 155 | 61.3 Ų | 61.3 | 72% | 0.724 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.9 | 27.6 | -174.4 | -58.8 | -178.3 | -10 | 0 | 0 | 113.4 | N22 | N22-Q26 WeakPolarHBondContact O-CA 3.45Å; N22-Q26 PolarHBondContact O-N 3.47Å |
| 27 | I | 72 | Confident | 81.7 | Confident | 103 Ų | 103 | 58 Ų | 58 | 53% | 0.528 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -136.9 | 136.3 | -178.9 | -61.6 | 168.5 | 0 | 0 | 0 | 107 | N22 F25 I29 | N22-I27 PolarHBondContact OD1-O 3.35Å; F25-I27 PolarHBondContact O-N 2.76Å; I27-I29 PolarHBondContact O-N 3.47Å |
| 28 | P | 73.5 | Confident | 81.6 | Confident | 61 Ų | 61 | 62.8 Ų | 62.8 | 40% | 0.396 | 31% | 0.314 | S | S | . | . | trans | -67.9 | 113.8 | 176.4 | 26.8 | -34 | 0 | 0 | 0 | 111.6 | G57 | P28-G57 WeakPolarHBondContact O-CA 3.48Š| ||
| 29 | I | 81.5 | Confident | 81.6 | Confident | 9 Ų | 9 | 64.1 Ų | 64.1 | 5% | 0.046 | 32% | 0.32 | C | S | . | . | trans | -109.9 | 113.8 | 175.4 | -63.4 | 160.6 | 0 | 0 | 0 | 107 | L18 L21 N22 F25 I27 A55 T56 | L18-I29 HydrophobicContact CD2-CG2 3.94Å; L21-I29 HydrophobicContact CB-CD1 3.89Å; N22-I29 WeakPolarHBondContact OD1-CA 3.47Å; N22-I29 VanDerWaalsContact OD1-CB 3.28Å; N22-I29 WeakPolarHBondContact OD1-CB 3.38Å; N22-I29 PolarHBondContact OD1-N 2.89Å; N22-I29 PolarHBondContact OD1-O 3.43Å; N22-I29 VanDerWaalsContact OD1-O 3.1Å; F25-I29 HydrophobicContact CB-CD1 3.96Å; F25-I29 HydrophobicContact CD2-CD1 3.98Å; F25-I29 HydrophobicContact CG-CD1 4.03Å; I27-I29 PolarHBondContact O-N 3.47Å; I29-A55 HydrophobicContact CD1-CB 3.83Å; I29-A55 HydrophobicContact CG1-CB 4.05Å; I29-A55 HydrophobicContact CG2-CB 3.71Å; I29-T56 CarbonylContact C-O 3.53Å; I29-T56 VanDerWaalsContact CA-O 3.3Å; I29-T56 WeakPolarHBondContact CA-O 3.37Å | ||
| 30 | H | 82.1 | Confident | 81.9 | Confident | 39 Ų | 39 | 59.3 Ų | 59.3 | 18% | 0.181 | 30% | 0.298 | C | S | . | . | trans | -105 | -14.3 | 177.1 | -60 | -75.4 | 0 | 0 | 0 | 112.6 | L18 T56 F58 E1234 | L18-H30 WeakPolarHBondContact CD1-O 3.41Å; H30-T56 PolarHBondContact N-O 2.87Å; H30-F58 HydrophobicContact CB-CD1 4.2Å; H30-F58 HydrophobicContact CB-CE1 4.28Å; H30-F58 AromaticContact CD2-CD2 3.5Å; H30-F58 AromaticContact CD2-CE2 3.41Å; H30-F58 VanDerWaalsContact CD2-CE2 3.41Å; H30-F58 WeakPolarHBondContact CD2-CE2 3.45Å; H30-F58 AromaticContact CD2-CG 3.91Å; H30-F58 AromaticContact CD2-CZ 3.73Å; H30-F58 AromaticContact CE1-CE2 3.67Å; H30-F58 AromaticContact CE1-CZ 3.53Å; H30-F58 AromaticContact CG-CE1 3.85Å; H30-F58 AromaticContact CG-CE2 3.95Å; H30-F58 AromaticContact CG-CZ 3.78Å; H30-F58 AromaticContact ND1-CE1 3.97Å; H30-F58 AromaticContact ND1-CZ 3.65Å; H30-F58 AromaticContact NE2-CD2 3.76Å; H30-F58 AromaticContact NE2-CE2 3.21Å; H30-F58 WeakPolarHBondContact NE2-CE2 3.37Å; H30-F58 AromaticContact NE2-CZ 3.59Å; H30-E1234 IonicContact CE1-OE1 2.63Å; H30-E1234 PolarHBondContact CE1-OE1 2.74Å | ||
| 31 | K | 86.6 | Confident | 81.9 | Confident | 65 Ų | 65 | 60.9 Ų | 60.9 | 28% | 0.283 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 144.6 | -175.6 | -63 | 177 | -173.7 | 164.9 | 0 | 112 | Y33 L39 T56 F58 | K31-Y33 HydrophobicContact CB-CD2 4.28Å; K31-Y33 HydrophobicContact CB-CE2 3.63Å; K31-Y33 HydrophobicContact CD-CE2 4.27Å; K31-L39 HydrophobicContact CB-CD1 4.04Å; K31-L39 HydrophobicContact CD-CD1 4.4Å; K31-L39 HydrophobicContact CG-CD1 4.24Å; K31-T56 PolarHBondContact N-O 3.41Å; K31-T56 PolarHBondContact O-N 2.88Å; K31-F58 PolarHBondContact NZ-O 2.83Å |
| 32 | L | 90.3 | Very high | 82 | Confident | 10 Ų | 10 | 63.4 Ų | 63.4 | 5% | 0.052 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 138 | 171.1 | -80.8 | 165.3 | 0 | 0 | 0 | 109.5 | I14 V17 L18 L21 I40 L46 F53 V54 A55 | I14-L32 HydrophobicContact CD1-CD1 4.31Å; V17-L32 HydrophobicContact CG1-CD1 4.48Å; L18-L32 HydrophobicContact CD2-CD1 3.86Å; L18-L32 HydrophobicContact CD2-CG 3.79Å; L21-L32 HydrophobicContact CD1-CD1 3.8Å; L21-L32 HydrophobicContact CD1-CD2 3.94Å; L21-L32 HydrophobicContact CD1-CG 4.17Å; L32-I40 HydrophobicContact CB-CB 3.93Å; L32-I40 HydrophobicContact CB-CG1 4.08Å; L32-I40 WeakPolarHBondContact O-CB 3.43Å; L32-I40 PolarHBondContact O-N 2.91Å; L32-L46 HydrophobicContact CD1-CD1 4.19Å; L32-F53 HydrophobicContact CD2-CB 4.17Å; L32-V54 WeakPolarHBondContact CA-O 3.48Å; L32-A55 HydrophobicContact CD2-CB 4.05Å |
| 33 | Y | 90.4 | Very high | 82.1 | Confident | 8 Ų | 8 | 63.8 Ų | 63.8 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 151.3 | 179.1 | -69.9 | -87.2 | 0 | 0 | 0 | 110.8 | K31 G37 K38 L39 F53 V54 T56 R60 F61 | K31-Y33 HydrophobicContact CB-CD2 4.28Å; K31-Y33 HydrophobicContact CB-CE2 3.63Å; K31-Y33 HydrophobicContact CD-CE2 4.27Å; Y33-G37 WeakPolarHBondContact CD1-O 3.48Å; Y33-K38 CarbonylContact C-O 3.55Å; Y33-K38 VanDerWaalsContact CA-O 3.26Å; Y33-K38 WeakPolarHBondContact CA-O 3.39Å; Y33-L39 HydrophobicContact CD1-CB 4.14Å; Y33-L39 HydrophobicContact CD1-CD1 4.29Å; Y33-L39 HydrophobicContact CE1-CB 3.76Å; Y33-L39 HydrophobicContact CE1-CD1 3.76Å; Y33-L39 HydrophobicContact CE1-CG 4.33Å; Y33-L39 HydrophobicContact CE2-CD1 4.14Å; Y33-F53 CarbonylContact O-C 3.52Å; Y33-F53 VanDerWaalsContact O-CA 3.31Å; Y33-F53 WeakPolarHBondContact O-CA 3.49Å; Y33-V54 PolarHBondContact N-O 3.36Å; Y33-V54 PolarHBondContact O-N 2.88Å; Y33-T56 HydrophobicContact CD2-CG2 4.45Å; Y33-T56 WeakPolarHBondContact CE2-OG1 3.48Å; Y33-R60 HydrophobicContact CE1-CG 4.33Å; Y33-R60 WeakPolarHBondContact OH-CA 3.22Å; Y33-F61 HydrophobicContact CD1-CB 4.17Å; Y33-F61 HydrophobicContact CD2-CB 3.44Å; Y33-F61 VanDerWaalsContact CD2-CB 3.44Å; Y33-F61 HydrophobicContact CE2-CB 3.9Å; Y33-F61 HydrophobicContact CG-CB 3.6Å; Y33-F61 HydrophobicContact CG-CD1 4.31Å; Y33-F61 HydrophobicContact CG-CG 4.43Å |
| 34 | T | 88.4 | Confident | 82.5 | Confident | 11 Ų | 11 | 65.4 Ų | 65.4 | 7% | 0.067 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | 164.1 | 161.6 | 66.4 | 0 | 0 | 0 | 0 | 110.3 | D36 G37 K38 I40 P50 | T34-D36 PolarHBondContact O-N 3.2Å; T34-D36 VanDerWaalsContact O-N 3.11Å; T34-D36 PolarHBondContact OG1-N 2.93Å; T34-G37 PolarHBondContact O-N 2.89Å; T34-G37 PolarHBondContact OG1-N 3.28Å; T34-K38 HydrophobicContact CG2-CB 4.2Å; T34-K38 PolarHBondContact N-O 3.16Å; T34-K38 PolarHBondContact OG1-N 3.16Å; T34-I40 HydrophobicContact CG2-CD1 3.88Å; T34-P50 HydrophobicContact CG2-CG 4.02Å |
| 35 | L | 83.4 | Confident | 82.9 | Confident | 84 Ų | 84 | 64 Ų | 64 | 44% | 0.44 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -26.7 | 169 | -63.1 | 177.4 | 0 | 0 | 0 | 112.7 | E52 V54 P63 | L35-E52 HydrophobicContact CD1-CB 3.94Å; L35-E52 HydrophobicContact CD2-CB 4.4Å; L35-E52 HydrophobicContact CG-CB 4.17Å; L35-V54 HydrophobicContact CD2-CG2 4.06Å; L35-P63 VanDerWaalsContact O-CG 3.25Å; L35-P63 WeakPolarHBondContact O-CG 3.39Å |
| 36 | D | 79.7 | Confident | 83.5 | Confident | 122 Ų | 122 | 61.4 Ų | 61.4 | 65% | 0.652 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | 6.5 | 177.4 | -45.1 | -64.4 | 0 | 0 | 0 | 114.1 | T34 K38 | T34-D36 PolarHBondContact O-N 3.2Å; T34-D36 VanDerWaalsContact O-N 3.11Å; T34-D36 PolarHBondContact OG1-N 2.93Å; D36-K38 PolarHBondContact O-N 3.19Å |
| 37 | G | 78.8 | Confident | 84.1 | Confident | 7 Ų | 7 | 58.1 Ų | 58.1 | 7% | 0.072 | 29% | 0.294 | C | S | . | . | trans | 82.4 | 6.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116 | Y33 T34 | Y33-G37 WeakPolarHBondContact CD1-O 3.48Å; T34-G37 PolarHBondContact O-N 2.89Å; T34-G37 PolarHBondContact OG1-N 3.28Å | ||
| 38 | K | 84 | Confident | 84.6 | Confident | 114 Ų | 114 | 59 Ų | 59 | 50% | 0.496 | 30% | 0.3 | S | S | . | . | trans | -73 | 127.1 | 171.2 | -171.9 | -156.9 | 165.1 | -161.5 | 0 | 109.4 | Y33 T34 D36 D45 | Y33-K38 CarbonylContact C-O 3.55Å; Y33-K38 VanDerWaalsContact CA-O 3.26Å; Y33-K38 WeakPolarHBondContact CA-O 3.39Å; T34-K38 HydrophobicContact CG2-CB 4.2Å; T34-K38 PolarHBondContact N-O 3.16Å; T34-K38 PolarHBondContact OG1-N 3.16Å; D36-K38 PolarHBondContact O-N 3.19Å; K38-D45 IonicContact NZ-OD1 3.8Å; K38-D45 PolarHBondContact NZ-OD1 2.93Å | ||
| 39 | L | 88.6 | Confident | 84.8 | Confident | 53 Ų | 53 | 57.5 Ų | 57.5 | 28% | 0.277 | 30% | 0.296 | S | S | . | . | B | Isolated β-bridge | trans | -65.7 | 141.1 | 173.3 | -176.8 | 64 | 0 | 0 | 0 | 110.6 | K31 Y33 E41 | K31-L39 HydrophobicContact CB-CD1 4.04Å; K31-L39 HydrophobicContact CD-CD1 4.4Å; K31-L39 HydrophobicContact CG-CD1 4.24Å; Y33-L39 HydrophobicContact CD1-CB 4.14Å; Y33-L39 HydrophobicContact CD1-CD1 4.29Å; Y33-L39 HydrophobicContact CE1-CB 3.76Å; Y33-L39 HydrophobicContact CE1-CD1 3.76Å; Y33-L39 HydrophobicContact CE1-CG 4.33Å; Y33-L39 HydrophobicContact CE2-CD1 4.14Å; L39-E41 HydrophobicContact CB-CG 4.29Å; L39-E41 HydrophobicContact CD2-CG 3.67Å; L39-E41 HydrophobicContact CG-CG 3.76Å |
| 40 | I | 89.2 | Confident | 85 | Confident | 9 Ų | 9 | 59.8 Ų | 59.8 | 5% | 0.046 | 31% | 0.311 | C | S | . | . | trans | -94.7 | 95.4 | 172.1 | -55.4 | -54.8 | 0 | 0 | 0 | 107.9 | I14 L32 T34 D45 L46 F53 | I14-I40 HydrophobicContact CD1-CG2 3.99Å; L32-I40 HydrophobicContact CB-CB 3.93Å; L32-I40 HydrophobicContact CB-CG1 4.08Å; L32-I40 WeakPolarHBondContact O-CB 3.43Å; L32-I40 PolarHBondContact O-N 2.91Å; T34-I40 HydrophobicContact CG2-CD1 3.88Å; I40-D45 HydrophobicContact CD1-CB 4.26Å; I40-D45 HydrophobicContact CG2-CB 3.99Å; I40-L46 HydrophobicContact CG2-CB 3.93Å; I40-L46 HydrophobicContact CG2-CD1 4.33Å; I40-F53 HydrophobicContact CD1-CD1 4.06Å; I40-F53 HydrophobicContact CD1-CE1 3.7Å; I40-F53 HydrophobicContact CG1-CD1 3.84Å; I40-F53 HydrophobicContact CG1-CE1 3.89Å | ||
| 41 | E | 83.2 | Confident | 85.1 | Confident | 144 Ų | 144 | 66.2 Ų | 66.2 | 67% | 0.673 | 35% | 0.347 | S | S | * | . | trans | -90.1 | -15.7 | -175.4 | -65.3 | 177.2 | -174.5 | 0 | 0 | 113.1 | L39 | L39-E41 HydrophobicContact CB-CG 4.29Å; L39-E41 HydrophobicContact CD2-CG 3.67Å; L39-E41 HydrophobicContact CG-CG 3.76Å | ||
| 42 | T | 86.4 | Confident | 85.1 | Confident | 62 Ų | 62 | 67.5 Ų | 67.5 | 38% | 0.38 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -138.3 | 157.6 | -179.4 | 79.1 | 0 | 0 | 0 | 0 | 112.6 | K44 D45 L46 | T42-K44 PolarHBondContact O-N 2.87Å; T42-K44 VanDerWaalsContact O-N 3.15Å; T42-K44 WeakPolarHBondContact OG1-CB 2.96Å; T42-K44 PolarHBondContact OG1-N 3.48Å; T42-D45 WeakPolarHBondContact CB-OD2 3.31Å; T42-D45 PolarHBondContact O-N 2.98Å; T42-D45 PolarHBondContact OG1-N 2.85Å; T42-D45 PolarHBondContact OG1-OD2 2.66Å; T42-L46 PolarHBondContact O-N 3.13Å |
| 43 | L | 85 | Confident | 85 | Confident | 35 Ų | 35 | 70 Ų | 70 | 18% | 0.183 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.2 | -23.7 | 170.4 | -178.2 | 59.6 | 0 | 0 | 0 | 112 | I11 V17 L46 L47 | I11-L43 HydrophobicContact CB-CD1 4.48Å; I11-L43 HydrophobicContact CB-CD2 4.48Å; I11-L43 HydrophobicContact CG2-CD1 3.67Å; I11-L43 HydrophobicContact CG2-CD2 3.96Å; I11-L43 HydrophobicContact CG2-CG 4.5Å; V17-L43 HydrophobicContact CG2-CD1 4.14Å; L43-L46 HydrophobicContact CD1-CD2 4.15Å; L43-L47 HydrophobicContact CD1-CD1 4.35Å; L43-L47 HydrophobicContact CD1-CG 4.41Å; L43-L47 HydrophobicContact CG-CD1 4.07Å; L43-L47 VanDerWaalsContact O-CG 3.25Å; L43-L47 WeakPolarHBondContact O-CG 3.44Å; L43-L47 PolarHBondContact O-N 2.96Å; L43-L47 VanDerWaalsContact O-N 3.14Å |
| 44 | K | 84.1 | Confident | 84.9 | Confident | 141 Ų | 141 | 71.4 Ų | 71.4 | 61% | 0.613 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -74.2 | -41.5 | 173.7 | -174.6 | 179.5 | 173.1 | -175.9 | 0 | 111.9 | T42 L46 L47 D48 | T42-K44 PolarHBondContact O-N 2.87Å; T42-K44 VanDerWaalsContact O-N 3.15Å; T42-K44 WeakPolarHBondContact OG1-CB 2.96Å; T42-K44 PolarHBondContact OG1-N 3.48Å; K44-L46 PolarHBondContact O-N 3.37Å; K44-L47 PolarHBondContact O-N 2.84Å; K44-L47 VanDerWaalsContact O-N 3.14Å; K44-D48 WeakPolarHBondContact CE-OD2 3.28Å; K44-D48 WeakPolarHBondContact CG-OD2 3.42Å; K44-D48 IonicContact NZ-OD2 3.24Å; K44-D48 WeakPolarHBondContact O-CB 3.43Å; K44-D48 PolarHBondContact O-N 2.91Å |
| 45 | D | 85.9 | Confident | 84.9 | Confident | 46 Ų | 46 | 72.9 Ų | 72.9 | 25% | 0.246 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.5 | -26.3 | 174.8 | -68.1 | -84.6 | 0 | 0 | 0 | 112.6 | K38 I40 T42 G49 | K38-D45 IonicContact NZ-OD1 3.8Å; K38-D45 PolarHBondContact NZ-OD1 2.93Å; I40-D45 HydrophobicContact CD1-CB 4.26Å; I40-D45 HydrophobicContact CG2-CB 3.99Å; T42-D45 WeakPolarHBondContact CB-OD2 3.31Å; T42-D45 PolarHBondContact O-N 2.98Å; T42-D45 PolarHBondContact OG1-N 2.85Å; T42-D45 PolarHBondContact OG1-OD2 2.66Å; D45-G49 WeakPolarHBondContact O-CA 3.49Å; D45-G49 PolarHBondContact O-N 3.21Å |
| 46 | L | 87.6 | Confident | 84.7 | Confident | 12 Ų | 12 | 70 Ų | 70 | 6% | 0.063 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -75.2 | -43.1 | 171.6 | -171 | 73.9 | 0 | 0 | 0 | 112.3 | I6 I14 V17 L32 I40 T42 L43 K44 F53 | I6-L46 HydrophobicContact CD1-CD2 3.82Å; I6-L46 HydrophobicContact CD1-CG 4.29Å; I14-L46 HydrophobicContact CD1-CB 4.11Å; I14-L46 HydrophobicContact CD1-CD2 3.96Å; I14-L46 HydrophobicContact CD1-CG 4.47Å; V17-L46 HydrophobicContact CB-CD2 4.34Å; V17-L46 HydrophobicContact CG1-CD2 3.89Å; V17-L46 HydrophobicContact CG2-CD2 3.88Å; L32-L46 HydrophobicContact CD1-CD1 4.19Å; I40-L46 HydrophobicContact CG2-CB 3.93Å; I40-L46 HydrophobicContact CG2-CD1 4.33Å; T42-L46 PolarHBondContact O-N 3.13Å; L43-L46 HydrophobicContact CD1-CD2 4.15Å; K44-L46 PolarHBondContact O-N 3.37Å; L46-F53 HydrophobicContact CD1-CD1 4.41Å; L46-F53 HydrophobicContact CD1-CD2 4.16Å; L46-F53 HydrophobicContact CD1-CE1 4.07Å; L46-F53 HydrophobicContact CD1-CE2 3.8Å; L46-F53 HydrophobicContact CD1-CG 4.45Å; L46-F53 HydrophobicContact CD1-CZ 3.75Å |
| 47 | L | 84.8 | Confident | 84.6 | Confident | 85 Ų | 85 | 64.9 Ų | 64.9 | 45% | 0.445 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -80.4 | -30.3 | -175.6 | -69.7 | 172.6 | 0 | 0 | 0 | 114.1 | I6 T8 L43 K44 G49 | I6-L47 HydrophobicContact CG2-CD2 3.99Å; T8-L47 HydrophobicContact CG2-CD2 3.79Å; L43-L47 HydrophobicContact CD1-CD1 4.35Å; L43-L47 HydrophobicContact CD1-CG 4.41Å; L43-L47 HydrophobicContact CG-CD1 4.07Å; L43-L47 VanDerWaalsContact O-CG 3.25Å; L43-L47 WeakPolarHBondContact O-CG 3.44Å; L43-L47 PolarHBondContact O-N 2.96Å; L43-L47 VanDerWaalsContact O-N 3.14Å; K44-L47 PolarHBondContact O-N 2.84Å; K44-L47 VanDerWaalsContact O-N 3.14Å; L47-G49 VanDerWaalsContact C-N 3.31Å |
| 48 | D | 84.3 | Confident | 84.1 | Confident | 121 Ų | 121 | 69.1 Ų | 69.1 | 65% | 0.647 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -92.4 | 7.6 | 172.1 | -65.8 | -8.9 | 0 | 0 | 0 | 111.6 | K44 | K44-D48 WeakPolarHBondContact CE-OD2 3.28Å; K44-D48 WeakPolarHBondContact CG-OD2 3.42Å; K44-D48 IonicContact NZ-OD2 3.24Å; K44-D48 WeakPolarHBondContact O-CB 3.43Å; K44-D48 PolarHBondContact O-N 2.91Å |
| 49 | G | 77.2 | Confident | 82.9 | Confident | 31 Ų | 31 | 67.2 Ų | 67.2 | 32% | 0.32 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -87.4 | -178.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | D45 L47 | D45-G49 WeakPolarHBondContact O-CA 3.49Å; D45-G49 PolarHBondContact O-N 3.21Å; L47-G49 VanDerWaalsContact C-N 3.31Å |
| 50 | P | 84.9 | Confident | 82.1 | Confident | 57 Ų | 57 | 72.6 Ų | 72.6 | 37% | 0.37 | 38% | 0.375 | S | S | . | . | trans | -71 | 165.1 | 173.3 | 32.3 | -37 | 0 | 0 | 0 | 112.4 | T34 E52 F53 | T34-P50 HydrophobicContact CG2-CG 4.02Å; P50-E52 WeakPolarHBondContact CG-O 3.48Å; P50-E52 PolarHBondContact O-N 2.87Å; P50-F53 HydrophobicContact CG-CE1 4.13Å; P50-F53 HydrophobicContact CG-CZ 4.33Å; P50-F53 WeakPolarHBondContact O-CE2 3.31Å; P50-F53 WeakPolarHBondContact O-CZ 3.29Å | ||
| 51 | D | 84 | Confident | 81.4 | Confident | 173 Ų | 173 | 74.9 Ų | 74.9 | 93% | 0.925 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -68.8 | -10.8 | 175.4 | -63.6 | -56.2 | 0 | 0 | 0 | 114 | ||
| 52 | E | 86.2 | Confident | 80.3 | Confident | 92 Ų | 92 | 73.4 Ų | 73.4 | 43% | 0.43 | 37% | 0.373 | S | S | . | . | trans | -128.8 | 129.7 | -175.7 | -68 | -171.9 | -160 | 0 | 0 | 112.9 | M1 L35 P50 | M1-E52 HydrophobicContact CE-CG 4.49Å; M1-E52 WeakPolarHBondContact CE-OE2 3.48Å; L35-E52 HydrophobicContact CD1-CB 3.94Å; L35-E52 HydrophobicContact CD2-CB 4.4Å; L35-E52 HydrophobicContact CG-CB 4.17Å; P50-E52 WeakPolarHBondContact CG-O 3.48Å; P50-E52 PolarHBondContact O-N 2.87Å | ||
| 53 | F | 89.4 | Confident | 79 | Confident | 64 Ų | 64 | 71 Ų | 71 | 28% | 0.281 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 155 | 179.6 | -58.8 | -87.1 | 0 | 0 | 0 | 111.7 | L32 Y33 I40 L46 P50 | L32-F53 HydrophobicContact CD2-CB 4.17Å; Y33-F53 CarbonylContact O-C 3.52Å; Y33-F53 VanDerWaalsContact O-CA 3.31Å; Y33-F53 WeakPolarHBondContact O-CA 3.49Å; I40-F53 HydrophobicContact CD1-CD1 4.06Å; I40-F53 HydrophobicContact CD1-CE1 3.7Å; I40-F53 HydrophobicContact CG1-CD1 3.84Å; I40-F53 HydrophobicContact CG1-CE1 3.89Å; L46-F53 HydrophobicContact CD1-CD1 4.41Å; L46-F53 HydrophobicContact CD1-CD2 4.16Å; L46-F53 HydrophobicContact CD1-CE1 4.07Å; L46-F53 HydrophobicContact CD1-CE2 3.8Å; L46-F53 HydrophobicContact CD1-CG 4.45Å; L46-F53 HydrophobicContact CD1-CZ 3.75Å; P50-F53 HydrophobicContact CG-CE1 4.13Å; P50-F53 HydrophobicContact CG-CZ 4.33Å; P50-F53 WeakPolarHBondContact O-CE2 3.31Å; P50-F53 WeakPolarHBondContact O-CZ 3.29Å |
| 54 | V | 88.1 | Confident | 77 | Confident | 36 Ų | 36 | 76.2 Ų | 76.2 | 22% | 0.218 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 124.7 | 173.2 | -175.4 | 0 | 0 | 0 | 0 | 109.3 | L32 Y33 L35 T56 F61 | L32-V54 WeakPolarHBondContact CA-O 3.48Å; Y33-V54 PolarHBondContact N-O 3.36Å; Y33-V54 PolarHBondContact O-N 2.88Å; L35-V54 HydrophobicContact CD2-CG2 4.06Å; V54-T56 HydrophobicContact CG1-CG2 4.29Å; V54-F61 HydrophobicContact CB-CD1 4.13Å; V54-F61 HydrophobicContact CB-CE1 4.19Å; V54-F61 HydrophobicContact CB-CG 4.33Å; V54-F61 HydrophobicContact CB-CZ 4.45Å; V54-F61 HydrophobicContact CG1-CD1 4.3Å; V54-F61 HydrophobicContact CG1-CD2 3.88Å; V54-F61 HydrophobicContact CG1-CE1 4.45Å; V54-F61 HydrophobicContact CG1-CE2 4.04Å; V54-F61 HydrophobicContact CG1-CG 4.03Å; V54-F61 HydrophobicContact CG1-CZ 4.33Å; V54-F61 HydrophobicContact CG2-CD1 4.2Å; V54-F61 HydrophobicContact CG2-CE1 3.75Å; V54-F61 HydrophobicContact CG2-CE2 4.39Å; V54-F61 HydrophobicContact CG2-CZ 3.86Å |
| 55 | A | 87.7 | Confident | 75.2 | Confident | 43 Ų | 43 | 76 Ų | 76 | 36% | 0.355 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 134 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | I29 L32 | I29-A55 HydrophobicContact CD1-CB 3.83Å; I29-A55 HydrophobicContact CG1-CB 4.05Å; I29-A55 HydrophobicContact CG2-CB 3.71Å; L32-A55 HydrophobicContact CD2-CB 4.05Å |
| 56 | T | 79.6 | Confident | 73 | Confident | 23 Ų | 23 | 79.6 Ų | 79.6 | 14% | 0.141 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 161.8 | 178.3 | 63.7 | 0 | 0 | 0 | 0 | 111.7 | I29 H30 K31 Y33 V54 E59 F61 | I29-T56 CarbonylContact C-O 3.53Å; I29-T56 VanDerWaalsContact CA-O 3.3Å; I29-T56 WeakPolarHBondContact CA-O 3.37Å; H30-T56 PolarHBondContact N-O 2.87Å; K31-T56 PolarHBondContact N-O 3.41Å; K31-T56 PolarHBondContact O-N 2.88Å; Y33-T56 HydrophobicContact CD2-CG2 4.45Å; Y33-T56 WeakPolarHBondContact CE2-OG1 3.48Å; V54-T56 HydrophobicContact CG1-CG2 4.29Å; T56-E59 PolarHBondContact OG1-O 2.86Å; T56-F61 HydrophobicContact CG2-CB 4.13Å |
| 57 | G | 77.1 | Confident | 70.5 | Confident | 14 Ų | 14 | 83.2 Ų | 83.2 | 14% | 0.144 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -68.2 | -149.1 | 164.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | P28 E59 | P28-G57 WeakPolarHBondContact O-CA 3.48Å; G57-E59 PolarHBondContact O-N 3.41Å; G57-E59 VanDerWaalsContact O-N 3.07Å |
| 58 | F | 68.8 | Low | 67.9 | Low | 97 Ų | 97 | 85 Ų | 85 | 43% | 0.425 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -60.1 | -19.1 | 175.3 | -68.3 | -74.3 | 0 | 0 | 0 | 113.6 | H30 K31 E1235 | H30-F58 HydrophobicContact CB-CD1 4.2Å; H30-F58 HydrophobicContact CB-CE1 4.28Å; H30-F58 AromaticContact CD2-CD2 3.5Å; H30-F58 AromaticContact CD2-CE2 3.41Å; H30-F58 VanDerWaalsContact CD2-CE2 3.41Å; H30-F58 WeakPolarHBondContact CD2-CE2 3.45Å; H30-F58 AromaticContact CD2-CG 3.91Å; H30-F58 AromaticContact CD2-CZ 3.73Å; H30-F58 AromaticContact CE1-CE2 3.67Å; H30-F58 AromaticContact CE1-CZ 3.53Å; H30-F58 AromaticContact CG-CE1 3.85Å; H30-F58 AromaticContact CG-CE2 3.95Å; H30-F58 AromaticContact CG-CZ 3.78Å; H30-F58 AromaticContact ND1-CE1 3.97Å; H30-F58 AromaticContact ND1-CZ 3.65Å; H30-F58 AromaticContact NE2-CD2 3.76Å; H30-F58 AromaticContact NE2-CE2 3.21Å; H30-F58 WeakPolarHBondContact NE2-CE2 3.37Å; H30-F58 AromaticContact NE2-CZ 3.59Å; K31-F58 PolarHBondContact NZ-O 2.83Å; F58-E1235 HydrophobicContact CE1-CB 4.19Å; F58-E1235 HydrophobicContact CZ-CB 4.39Å |
| 59 | E | 58.8 | Low | 65.2 | Low | 74 Ų | 74 | 86.3 Ų | 86.3 | 35% | 0.346 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -42.4 | 146.4 | 170.7 | -25.3 | -60.3 | -165.9 | 0 | 0 | 113.3 | T56 G57 S159 | T56-E59 PolarHBondContact OG1-O 2.86Å; G57-E59 PolarHBondContact O-N 3.41Å; G57-E59 VanDerWaalsContact O-N 3.07Å; E59-S159 PolarHBondContact OE1-OG 2.93Å; E59-S159 WeakPolarHBondContact OE2-CB 3.25Å; E59-S159 PolarHBondContact OE2-OG 3.04Å |
| 60 | R | 71.7 | Confident | 62.8 | Low | 166 Ų | 166 | 89.9 Ų | 89.9 | 63% | 0.626 | 46% | 0.461 | S | S | * | . | trans | -98.7 | 117.3 | 166 | 174.2 | 167.3 | 179.6 | 176.4 | 0.8 | 110.5 | Y33 R62 | Y33-R60 HydrophobicContact CE1-CG 4.33Å; Y33-R60 WeakPolarHBondContact OH-CA 3.22Å; R60-R62 HydrophobicContact CG-CG 4.5Å | ||
| 61 | F | 75.3 | Confident | 60 | Low | 57 Ų | 57 | 93 Ų | 93 | 25% | 0.25 | 48% | 0.479 | C | S | . | . | trans | -61 | 140.1 | 168.9 | -175.3 | -122.4 | 0 | 0 | 0 | 111 | Y33 V54 T56 P63 | Y33-F61 HydrophobicContact CD1-CB 4.17Å; Y33-F61 HydrophobicContact CD2-CB 3.44Å; Y33-F61 VanDerWaalsContact CD2-CB 3.44Å; Y33-F61 HydrophobicContact CE2-CB 3.9Å; Y33-F61 HydrophobicContact CG-CB 3.6Å; Y33-F61 HydrophobicContact CG-CD1 4.31Å; Y33-F61 HydrophobicContact CG-CG 4.43Å; V54-F61 HydrophobicContact CB-CD1 4.13Å; V54-F61 HydrophobicContact CB-CE1 4.19Å; V54-F61 HydrophobicContact CB-CG 4.33Å; V54-F61 HydrophobicContact CB-CZ 4.45Å; V54-F61 HydrophobicContact CG1-CD1 4.3Å; V54-F61 HydrophobicContact CG1-CD2 3.88Å; V54-F61 HydrophobicContact CG1-CE1 4.45Å; V54-F61 HydrophobicContact CG1-CE2 4.04Å; V54-F61 HydrophobicContact CG1-CG 4.03Å; V54-F61 HydrophobicContact CG1-CZ 4.33Å; V54-F61 HydrophobicContact CG2-CD1 4.2Å; V54-F61 HydrophobicContact CG2-CE1 3.75Å; V54-F61 HydrophobicContact CG2-CE2 4.39Å; V54-F61 HydrophobicContact CG2-CZ 3.86Å; T56-F61 HydrophobicContact CG2-CB 4.13Å; F61-P63 HydrophobicContact CD1-CG 4.45Å; F61-P63 HydrophobicContact CE1-CB 4.38Å; F61-P63 HydrophobicContact CE1-CG 3.87Å; F61-P63 HydrophobicContact CZ-CB 4.44Å; F61-P63 HydrophobicContact CZ-CG 4.39Å | ||
| 62 | R | 60 | Low | 57.2 | Low | 112 Ų | 112 | 94.7 Ų | 94.7 | 42% | 0.423 | 47% | 0.472 | S | S | . | . | trans | -138.4 | 117 | 171.5 | -58.3 | -171.7 | -159.5 | 166.7 | 14 | 107.8 | R60 M67 Y161 | R60-R62 HydrophobicContact CG-CG 4.5Å; R62-M67 HydrophobicContact CB-CE 4.36Å; R62-Y161 PolarHBondContact NH2-O 3.44Å; R62-Y161 VanDerWaalsContact NH2-O 3.16Å | ||
| 63 | P | 58.1 | Low | 54.4 | Low | 13 Ų | 13 | 95.4 Ų | 95.4 | 8% | 0.084 | 49% | 0.486 | C | S | . | . | trans | -68.2 | 149.6 | 179.2 | -13.7 | 26.2 | 0 | 0 | 0 | 111.6 | L35 F61 N65 E66 | L35-P63 VanDerWaalsContact O-CG 3.25Å; L35-P63 WeakPolarHBondContact O-CG 3.39Å; F61-P63 HydrophobicContact CD1-CG 4.45Å; F61-P63 HydrophobicContact CE1-CB 4.38Å; F61-P63 HydrophobicContact CE1-CG 3.87Å; F61-P63 HydrophobicContact CZ-CB 4.44Å; F61-P63 HydrophobicContact CZ-CG 4.39Å; P63-N65 PolarHBondContact O-N 2.84Å; P63-N65 VanDerWaalsContact O-N 3.09Å; P63-E66 PolarHBondContact O-N 3.18Å | ||
| 64 | L | 43.8 | Very low | 51.3 | Low | 144 Ų | 144 | 100.8 Ų | 100.8 | 75% | 0.754 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | -25.7 | 177.1 | -91.8 | 72.6 | 0 | 0 | 0 | 113.5 | N68 | L64-N68 PolarHBondContact O-ND2 2.85Š|
| 65 | N | 45.8 | Very low | 48.4 | Very low | 136 Ų | 136 | 103.9 Ų | 103.9 | 73% | 0.727 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -30.3 | -177.3 | -68.8 | -13.3 | 0 | 0 | 0 | 113.3 | P63 M67 N68 | P63-N65 PolarHBondContact O-N 2.84Å; P63-N65 VanDerWaalsContact O-N 3.09Å; N65-M67 VanDerWaalsContact C-N 3.3Å; N65-M67 PolarHBondContact O-N 2.78Å; N65-N68 PolarHBondContact O-N 3.25Å |
| 66 | E | 40.1 | Very low | 45.5 | Very low | 122 Ų | 122 | 113.5 Ų | 113.5 | 57% | 0.57 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -74.1 | -19.4 | 178.6 | -73.5 | -152.9 | 126.1 | 0 | 0 | 113.1 | P63 N68 | P63-E66 PolarHBondContact O-N 3.18Å; E66-N68 PolarHBondContact O-N 3.37Å |
| 67 | M | 33.9 | Very low | 42.9 | Very low | 87 Ų | 87 | 117.7 Ų | 117.7 | 43% | 0.429 | 59% | 0.59 | S | S | . | * | G | 310 helix | trans | -69.1 | -1.8 | 175.5 | -64.3 | -167.7 | -179.7 | 0 | 0 | 114 | R62 N65 | R62-M67 HydrophobicContact CB-CE 4.36Å; N65-M67 VanDerWaalsContact C-N 3.3Å; N65-M67 PolarHBondContact O-N 2.78Å |
| 68 | N | 31.3 | Very low | 40.5 | Very low | 122 Ų | 122 | 122.9 Ų | 122.9 | 65% | 0.652 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -117.3 | -2.9 | -172.7 | -74.1 | -77.5 | 0 | 0 | 0 | 115.3 | L64 N65 E66 | L64-N68 PolarHBondContact O-ND2 2.85Å; N65-N68 PolarHBondContact O-N 3.25Å; E66-N68 PolarHBondContact O-N 3.37Å |
| 69 | L | 27.4 | Very low | 38.6 | Very low | 149 Ų | 149 | 123.2 Ų | 123.2 | 78% | 0.78 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -139.7 | 154.5 | 177.1 | -82.4 | 97.6 | 0 | 0 | 0 | 113.1 | ||
| 70 | S | 26.5 | Very low | 37.1 | Very low | 107 Ų | 107 | 130 Ų | 130 | 75% | 0.748 | 66% | 0.661 | S | S | * | * | trans | 80 | 66.5 | 173.8 | -163 | 0 | 0 | 0 | 0 | 118.8 | R72 | S70-R72 PolarHBondContact O-N 3.06Š| ||
| 71 | T | 25.6 | Very low | 34.9 | Very low | 121 Ų | 121 | 127.7 Ų | 127.7 | 74% | 0.742 | 67% | 0.666 | S | S | * | * | trans | -82.6 | 98.4 | 153.3 | 39.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 72 | R | 26.3 | Very low | 32.6 | Very low | 210 Ų | 210 | 135.4 Ų | 135.4 | 79% | 0.792 | 69% | 0.693 | S | S | * | * | trans | 169.7 | 135.9 | 165.9 | -94.8 | 151.4 | -155.9 | -145.9 | 6.4 | 106.4 | S70 F74 | S70-R72 PolarHBondContact O-N 3.06Å; R72-F74 HydrophobicContact CG-CE2 4.22Å | ||
| 73 | C | 27.7 | Very low | 31 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 72% | 0.716 | 71% | 0.705 | S | S | * | * | cis | -133.1 | 139 | 16.8 | -70.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 74 | F | 24.6 | Very low | 29.6 | Very low | 177 Ų | 177 | 142.8 Ų | 142.8 | 78% | 0.776 | 74% | 0.74 | S | S | * | * | 53.5 | 134.7 | 94.9 | -53.4 | -65.1 | 0 | 0 | 0 | 116.3 | R72 | R72-F74 HydrophobicContact CG-CE2 4.22Š| |||
| 75 | S | 25.5 | Very low | 28.8 | Very low | 101 Ų | 101 | 141 Ų | 141 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | cis | -168.7 | 156.6 | -10.3 | 44.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 76 | R | 26.6 | Very low | 28 | Very low | 246 Ų | 246 | 143.3 Ų | 143.3 | 93% | 0.928 | 74% | 0.738 | S | S | * | * | trans | -64.5 | 148.9 | 162.8 | -75.9 | 175.5 | 168.3 | 170.3 | -4.9 | 110.4 | ||||
| 77 | S | 26.7 | Very low | 27.5 | Very low | 110 Ų | 110 | 142.6 Ų | 142.6 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | trans | -152.8 | 117 | 153.9 | 50.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 78 | S | 26.5 | Very low | 27.6 | Very low | 124 Ų | 124 | 143.8 Ų | 143.8 | 87% | 0.867 | 76% | 0.761 | S | S | * | * | trans | -135.6 | 93.5 | 176.3 | -63.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 79 | S | 29.3 | Very low | 27.5 | Very low | 103 Ų | 103 | 144.2 Ų | 144.2 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | trans | -155.1 | 102.8 | 174.1 | 40.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 80 | R | 26.5 | Very low | 27.7 | Very low | 216 Ų | 216 | 142.2 Ų | 142.2 | 82% | 0.815 | 77% | 0.767 | S | S | * | * | trans | 34.5 | 136.5 | 133.1 | -76.5 | 177.5 | 171.4 | 172.7 | -1.9 | 121.6 | ||||
| 81 | T | 26 | Very low | 27.9 | Very low | 119 Ų | 119 | 142 Ų | 142 | 73% | 0.73 | 77% | 0.765 | S | S | * | * | trans | 93.1 | 103.7 | 140.9 | 48.4 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 82 | R | 25.5 | Very low | 28.3 | Very low | 219 Ų | 219 | 143.8 Ų | 143.8 | 83% | 0.826 | 77% | 0.767 | S | S | * | * | 79.7 | 134.2 | 126.9 | -85.2 | -176.9 | 170.2 | 157.4 | -1.2 | 121.2 | |||||
| 83 | N | 27.1 | Very low | 28.5 | Very low | 126 Ų | 126 | 140.1 Ų | 140.1 | 67% | 0.674 | 76% | 0.762 | S | S | * | * | trans | 81.9 | 107.6 | 159.1 | -55.1 | -14.3 | 0 | 0 | 0 | 115.1 | ||||
| 84 | L | 28 | Very low | 28.6 | Very low | 154 Ų | 154 | 140.6 Ų | 140.6 | 81% | 0.806 | 76% | 0.764 | S | S | * | * | 65 | 116.3 | 77 | -69.5 | 164.1 | 0 | 0 | 0 | 110.2 | |||||
| 85 | T | 27.1 | Very low | 28.8 | Very low | 106 Ų | 106 | 136.6 Ų | 136.6 | 65% | 0.65 | 76% | 0.758 | S | S | * | * | cis | -161.1 | 162.3 | 42.2 | 53.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 86 | K | 29.1 | Very low | 29 | Very low | 184 Ų | 184 | 137 Ų | 137 | 80% | 0.8 | 76% | 0.761 | S | S | * | * | trans | 65.2 | 116.3 | 151.4 | -69.5 | 157 | -176.7 | 179.1 | 0 | 118.1 | ||||
| 87 | S | 29.2 | Very low | 29 | Very low | 107 Ų | 107 | 134 Ų | 134 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | cis | 101.2 | 167.1 | 37.1 | 81.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 88 | P | 36.5 | Very low | 29 | Very low | 112 Ų | 112 | 136.1 Ų | 136.1 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | -139.9 | 168.9 | -101.9 | 37.7 | -16.6 | 0 | 0 | 0 | 117.2 | |||||
| 89 | T | 29.7 | Very low | 29 | Very low | 131 Ų | 131 | 137.5 Ų | 137.5 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | trans | -162.8 | 119.2 | 164.2 | 14.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 90 | S | 30.8 | Very low | 28.7 | Very low | 108 Ų | 108 | 140.7 Ų | 140.7 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | 63.3 | 134.6 | 98.7 | 74.8 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 91 | S | 31.9 | Very low | 28.7 | Very low | 101 Ų | 101 | 138.8 Ų | 138.8 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | cis | -162.2 | -179 | -2.3 | 55.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 92 | M | 34 | Very low | 28.6 | Very low | 160 Ų | 160 | 141.6 Ų | 141.6 | 79% | 0.788 | 76% | 0.757 | S | S | * | * | cis | -134.8 | 172 | 22 | -92.1 | -158.3 | 173.4 | 0 | 0 | 110.1 | ||||
| 93 | L | 29.3 | Very low | 28.5 | Very low | 133 Ų | 133 | 135.8 Ų | 135.8 | 70% | 0.696 | 75% | 0.75 | S | S | * | * | cis | 72.1 | 139.5 | 43.6 | -75.9 | 164.8 | 0 | 0 | 0 | 115.8 | ||||
| 94 | P | 31.2 | Very low | 28.4 | Very low | 116 Ų | 116 | 138 Ų | 138 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | cis | -120 | 168.1 | -19.2 | 39.8 | -26.1 | 0 | 0 | 0 | 112.9 | ||||
| 95 | S | 27.6 | Very low | 28.3 | Very low | 92 Ų | 92 | 139 Ų | 139 | 64% | 0.643 | 76% | 0.759 | S | S | * | * | cis | 95.5 | 91.7 | 4.2 | 88.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 96 | S | 31.3 | Very low | 28.2 | Very low | 110 Ų | 110 | 137.3 Ų | 137.3 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | trans | -154.5 | 131.3 | 151 | 50.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 97 | K | 26.6 | Very low | 28 | Very low | 183 Ų | 183 | 134.6 Ų | 134.6 | 80% | 0.796 | 76% | 0.756 | S | S | * | * | cis | 68.5 | 134.6 | 45.2 | -62.9 | -171.9 | 174.5 | -175.3 | 0 | 112.1 | ||||
| 98 | Q | 25.9 | Very low | 27.7 | Very low | 155 Ų | 155 | 134 Ų | 134 | 72% | 0.724 | 75% | 0.75 | S | S | * | * | cis | -161.1 | 176.4 | 9.2 | -141.9 | 166.2 | -50.4 | 0 | 0 | 112 | ||||
| 99 | I | 26.3 | Very low | 27.3 | Very low | 153 Ų | 153 | 134.2 Ų | 134.2 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | trans | 75.6 | 117 | 167.1 | -55.3 | 143.2 | 0 | 0 | 0 | 113.7 | ||||
| 100 | H | 23.9 | Very low | 27.1 | Very low | 169 Ų | 169 | 133.8 Ų | 133.8 | 78% | 0.782 | 74% | 0.738 | S | S | * | * | cis | 90.5 | 77.1 | 27.9 | -167.1 | -57.6 | 0 | 0 | 0 | 114.7 | ||||
| 101 | E | 24.7 | Very low | 26.9 | Very low | 176 Ų | 176 | 132.1 Ų | 132.1 | 82% | 0.822 | 74% | 0.738 | S | S | * | * | trans | -154.8 | 163.7 | 148.1 | -128.9 | 154.9 | -144.3 | 0 | 0 | 114.9 | ||||
| 102 | Q | 24 | Very low | 27.2 | Very low | 178 Ų | 178 | 129.8 Ų | 129.8 | 83% | 0.832 | 73% | 0.73 | S | S | * | * | trans | -61.7 | 136.5 | -160.6 | -57.7 | 155.8 | 17.2 | 0 | 0 | 116 | ||||
| 103 | S | 24.3 | Very low | 27.9 | Very low | 97 Ų | 97 | 126.3 Ų | 126.3 | 68% | 0.678 | 71% | 0.71 | S | S | * | * | trans | -168.8 | 147 | 132.7 | 51.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 104 | N | 24.4 | Very low | 29.3 | Very low | 172 Ų | 172 | 122.5 Ų | 122.5 | 92% | 0.92 | 69% | 0.69 | S | S | * | * | trans | -80.8 | 119.1 | 167.2 | -67.5 | -39.3 | 0 | 0 | 0 | 108.7 | ||||
| 105 | K | 27.4 | Very low | 31 | Very low | 176 Ų | 176 | 120.1 Ų | 120.1 | 77% | 0.765 | 67% | 0.673 | S | S | * | * | trans | -137.1 | 134.3 | 166.8 | -66.6 | -165.8 | 176.9 | -170.2 | 0 | 109.9 | ||||
| 106 | G | 23.8 | Very low | 33.4 | Very low | 71 Ų | 71 | 115.7 Ų | 115.7 | 73% | 0.732 | 64% | 0.642 | S | S | * | * | trans | -66.1 | 143.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 107 | I | 26.3 | Very low | 35.9 | Very low | 127 Ų | 127 | 112.7 Ų | 112.7 | 65% | 0.651 | 62% | 0.616 | S | S | * | * | trans | -108.2 | 112.3 | -175.7 | -60.6 | 175.3 | 0 | 0 | 0 | 108.3 | L109 | I107-L109 HydrophobicContact CG2-CD2 3.8Å; I107-L109 HydrophobicContact CG2-CG 4.22Å; I107-L109 PolarHBondContact O-N 3.45Å | ||
| 108 | C | 22.4 | Very low | 38.9 | Very low | 93 Ų | 93 | 104 Ų | 104 | 63% | 0.628 | 58% | 0.578 | S | S | * | * | trans | -61.9 | 126.1 | 161 | -65.6 | 0 | 0 | 0 | 0 | 108.5 | D1265 | C108-D1265 WeakPolarHBondContact CB-OD2 3.44Å; C108-D1265 PolarHBondContact SG-OD2 3.11Å | ||
| 109 | L | 27.1 | Very low | 42 | Very low | 117 Ų | 117 | 97.6 Ų | 97.6 | 61% | 0.613 | 55% | 0.548 | S | S | * | . | trans | -106.3 | 132.4 | 174.5 | -68.8 | 174.1 | 0 | 0 | 0 | 108.6 | I107 G111 P242 | I107-L109 HydrophobicContact CG2-CD2 3.8Å; I107-L109 HydrophobicContact CG2-CG 4.22Å; I107-L109 PolarHBondContact O-N 3.45Å; L109-G111 PolarHBondContact O-N 3.48Å; L109-P242 HydrophobicContact CD1-CB 4.13Å; L109-P242 HydrophobicContact CD1-CG 4.1Å | ||
| 110 | N | 26.1 | Very low | 45.3 | Very low | 122 Ų | 122 | 90.3 Ų | 90.3 | 65% | 0.652 | 51% | 0.511 | S | S | * | . | trans | -45.7 | 132.1 | -178.4 | -46.6 | -107.9 | 0 | 0 | 0 | 110.9 | G112 K1238 | N110-G112 PolarHBondContact O-N 3.38Å; N110-K1238 PolarHBondContact OD1-NZ 2.97Å | ||
| 111 | G | 27.3 | Very low | 48.5 | Very low | 74 Ų | 74 | 85.2 Ų | 85.2 | 76% | 0.763 | 49% | 0.486 | S | S | * | . | trans | -51.3 | 120.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L109 | L109-G111 PolarHBondContact O-N 3.48Š| ||
| 112 | G | 36.6 | Very low | 51.8 | Low | 51 Ų | 51 | 76.8 Ų | 76.8 | 53% | 0.526 | 45% | 0.447 | S | S | . | . | trans | -120.6 | 115.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | N110 I114 | N110-G112 PolarHBondContact O-N 3.38Å; G112-I114 PolarHBondContact O-N 3.21Å | ||
| 113 | F | 48.8 | Very low | 54.9 | Low | 87 Ų | 87 | 68.3 Ų | 68.3 | 38% | 0.382 | 41% | 0.408 | S | S | . | . | trans | -61.5 | 133 | 177.3 | -64.1 | -88.7 | 0 | 0 | 0 | 111.2 | V115 E1235 | F113-V115 PolarHBondContact O-N 3.43Å; F113-E1235 HydrophobicContact CE2-CG 3.57Å; F113-E1235 WeakPolarHBondContact CE2-OE2 3.4Å; F113-E1235 HydrophobicContact CZ-CG 3.67Å | ||
| 114 | I | 59.7 | Low | 58 | Low | 54 Ų | 54 | 68.1 Ų | 68.1 | 28% | 0.277 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 111.6 | 172.3 | -59.6 | 177.1 | 0 | 0 | 0 | 106.9 | G112 C116 L206 L237 | G112-I114 PolarHBondContact O-N 3.21Å; I114-C116 PolarHBondContact O-N 3.5Å; I114-C116 VanDerWaalsContact O-N 3.14Å; I114-L206 PolarHBondContact N-O 3.32Å; I114-L206 WeakPolarHBondContact O-CB 3.45Å; I114-L206 PolarHBondContact O-N 2.9Å; I114-L237 HydrophobicContact CG2-CD2 4.43Å |
| 115 | V | 66 | Low | 61.1 | Low | 65 Ų | 65 | 66.3 Ų | 66.3 | 39% | 0.394 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 107.6 | 173 | -178.2 | 0 | 0 | 0 | 0 | 108.5 | F113 E203 | F113-V115 PolarHBondContact O-N 3.43Å; V115-E203 HydrophobicContact CG1-CB 3.93Å; V115-E203 HydrophobicContact CG1-CG 4.11Å |
| 116 | C | 77.6 | Confident | 63.9 | Low | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 122.3 | 172 | -172.6 | 0 | 0 | 0 | 0 | 109.3 | I114 V118 I204 L206 L237 | I114-C116 PolarHBondContact O-N 3.5Å; I114-C116 VanDerWaalsContact O-N 3.14Å; C116-V118 HydrophobicContact CB-CG2 4.47Å; C116-I204 WeakPolarHBondContact CB-O 3.43Å; C116-I204 PolarHBondContact N-O 3.06Å; C116-I204 PolarHBondContact O-N 3.01Å; C116-L206 HydrophobicContact CB-CD1 3.62Å; C116-L206 HydrophobicContact CB-CG 3.81Å; C116-L237 HydrophobicContact CB-CD2 4.23Å |
| 117 | Q | 85 | Confident | 66.5 | Low | 47 Ų | 47 | 59.2 Ų | 59.2 | 22% | 0.22 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 117.7 | 172.7 | -69.5 | -166.9 | -29.1 | 0 | 0 | 108.5 | F119 Y201 R236 | Q117-F119 HydrophobicContact CB-CE2 3.91Å; Q117-F119 HydrophobicContact CB-CZ 4.36Å; Q117-Y201 HydrophobicContact CB-CE2 3.87Å; Q117-Y201 HydrophobicContact CG-CE2 4.07Å; Q117-Y201 WeakPolarHBondContact CG-OH 3.49Å; Q117-Y201 PolarHBondContact NE2-OH 3.28Å; Q117-R236 HydrophobicContact CB-CB 4.08Å; Q117-R236 PolarHBondContact N-O 2.89Å; Q117-R236 PolarHBondContact O-N 3.19Å |
| 118 | V | 89.1 | Confident | 68.9 | Low | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 124.1 | -175.9 | -178.1 | 0 | 0 | 0 | 0 | 109.5 | C116 I120 I143 F202 I204 I233 Y234 L235 | C116-V118 HydrophobicContact CB-CG2 4.47Å; V118-I120 HydrophobicContact CG1-CD1 4.41Å; V118-I120 HydrophobicContact CG1-CG1 4.08Å; V118-I143 HydrophobicContact CG1-CD1 4.31Å; V118-F202 HydrophobicContact CB-CB 4.29Å; V118-F202 PolarHBondContact N-O 2.82Å; V118-F202 PolarHBondContact O-N 3.47Å; V118-I204 HydrophobicContact CB-CD1 4.24Å; V118-I204 HydrophobicContact CB-CG1 4.5Å; V118-I204 HydrophobicContact CG2-CB 4.25Å; V118-I204 HydrophobicContact CG2-CD1 3.78Å; V118-I204 HydrophobicContact CG2-CG1 3.97Å; V118-I233 HydrophobicContact CG1-CG2 4Å; V118-Y234 WeakPolarHBondContact CA-O 3.44Å; V118-L235 HydrophobicContact CB-CD2 4.23Å; V118-L235 HydrophobicContact CG1-CD2 3.91Å; V118-L235 HydrophobicContact CG2-CD2 3.55Å |
| 119 | F | 92.2 | Very high | 71.7 | Confident | 21 Ų | 21 | 60.6 Ų | 60.6 | 9% | 0.092 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 126.1 | 176.6 | -55.4 | -92.6 | 0 | 0 | 0 | 108.3 | Q117 L165 I199 D200 Y201 I233 Y234 R236 | Q117-F119 HydrophobicContact CB-CE2 3.91Å; Q117-F119 HydrophobicContact CB-CZ 4.36Å; F119-L165 HydrophobicContact CD1-CD1 3.95Å; F119-L165 HydrophobicContact CE1-CD1 4.13Å; F119-I199 HydrophobicContact CB-CG2 4.37Å; F119-D200 CarbonylContact C-O 3.47Å; F119-D200 WeakPolarHBondContact CA-O 3.47Å; F119-Y201 AromaticContact CD1-CD2 3.56Å; F119-Y201 HydrophobicContact CD1-CD2 3.56Å; F119-Y201 HydrophobicContact CD1-CE2 4.43Å; F119-Y201 HydrophobicContact CD1-CG 4.12Å; F119-Y201 HydrophobicContact CD2-CD2 4.48Å; F119-Y201 AromaticContact CE1-CD2 3.17Å; F119-Y201 HydrophobicContact CE1-CD2 3.17Å; F119-Y201 AromaticContact CE1-CE2 3.72Å; F119-Y201 HydrophobicContact CE1-CE2 3.72Å; F119-Y201 AromaticContact CE1-CG 3.74Å; F119-Y201 HydrophobicContact CE1-CG 3.74Å; F119-Y201 HydrophobicContact CE2-CD2 4.17Å; F119-Y201 HydrophobicContact CE2-CE2 4.14Å; F119-Y201 HydrophobicContact CG-CD2 4.21Å; F119-Y201 AromaticContact CZ-CD2 3.51Å; F119-Y201 HydrophobicContact CZ-CD2 3.51Å; F119-Y201 AromaticContact CZ-CE2 3.54Å; F119-Y201 HydrophobicContact CZ-CE2 3.54Å; F119-Y201 HydrophobicContact CZ-CG 4.42Å; F119-I233 CarbonylContact O-C 3.52Å; F119-I233 WeakPolarHBondContact O-CA 3.33Å; F119-Y234 HydrophobicContact CB-CD2 4.01Å; F119-Y234 PolarHBondContact N-O 2.77Å; F119-Y234 PolarHBondContact O-N 2.91Å; F119-R236 HydrophobicContact CE2-CB 4.34Å |
| 120 | I | 93.8 | Very high | 74.4 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 117.3 | 178.7 | -53.6 | 178.3 | 0 | 0 | 0 | 109.3 | V118 L157 I199 D200 F202 W228 I233 | V118-I120 HydrophobicContact CG1-CD1 4.41Å; V118-I120 HydrophobicContact CG1-CG1 4.08Å; I120-L157 HydrophobicContact CD1-CD1 3.53Å; I120-L157 HydrophobicContact CD1-CD2 3.78Å; I120-L157 HydrophobicContact CD1-CG 4.28Å; I120-I199 WeakPolarHBondContact O-CA 3.18Å; I120-D200 PolarHBondContact N-O 3Å; I120-D200 PolarHBondContact O-N 2.77Å; I120-F202 HydrophobicContact CB-CE2 3.99Å; I120-F202 HydrophobicContact CD1-CD2 4.13Å; I120-F202 HydrophobicContact CD1-CE2 3.76Å; I120-F202 HydrophobicContact CD1-CZ 4.45Å; I120-F202 HydrophobicContact CG1-CD2 4.13Å; I120-F202 HydrophobicContact CG1-CE2 3.82Å; I120-W228 HydrophobicContact CD1-CH2 4.18Å; I120-W228 HydrophobicContact CG2-CH2 4.24Å; I120-W228 HydrophobicContact CG2-CZ2 3.71Å; I120-I233 HydrophobicContact CB-CG1 4.5Å; I120-I233 HydrophobicContact CD1-CG1 4.49Å; I120-I233 HydrophobicContact CG1-CG1 4.02Å; I120-I233 HydrophobicContact CG1-CG2 4.13Å; I120-I233 HydrophobicContact CG2-CG1 4.07Å |
| 121 | K | 93 | Very high | 77.2 | Confident | 61 Ų | 61 | 55.5 Ų | 55.5 | 27% | 0.265 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 123.7 | 170.5 | -171 | 177.8 | -178.4 | -158.1 | 0 | 109.4 | S198 I199 E231 E232 | K121-S198 CarbonylContact C-O 3.58Å; K121-S198 VanDerWaalsContact CA-O 3.29Å; K121-S198 WeakPolarHBondContact CA-O 3.32Å; K121-I199 HydrophobicContact CB-CG1 4.24Å; K121-I199 HydrophobicContact CG-CG1 4.02Å; K121-E231 HydrophobicContact CB-CB 4.37Å; K121-E231 HydrophobicContact CD-CB 4.43Å; K121-E231 HydrophobicContact CD-CG 4.04Å; K121-E231 WeakPolarHBondContact CD-OE2 3.36Å; K121-E231 VanDerWaalsContact CE-CD 3.42Å; K121-E231 WeakPolarHBondContact CE-OE1 3.16Å; K121-E231 WeakPolarHBondContact CE-OE2 3.46Å; K121-E231 HydrophobicContact CG-CB 4.21Å; K121-E231 HydrophobicContact CG-CG 4.37Å; K121-E231 IonicContact NZ-OE1 2.74Å; K121-E231 PolarHBondContact NZ-OE1 2.83Å; K121-E231 IonicContact NZ-OE2 3.13Å; K121-E231 PolarHBondContact NZ-OE2 2.86Å; K121-E231 VanDerWaalsContact NZ-OE2 3.15Å; K121-E231 PolarHBondContact O-N 2.92Å; K121-E232 PolarHBondContact N-O 2.76Å; K121-E232 PolarHBondContact O-N 2.82Å |
| 122 | S | 92.9 | Very high | 80 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 128.7 | 169.6 | -58.7 | 0 | 0 | 0 | 0 | 109.1 | Y195 G197 S198 W228 | S122-Y195 WeakPolarHBondContact CB-O 3.38Å; S122-G197 CarbonylContact O-C 3.45Å; S122-G197 WeakPolarHBondContact O-CA 3.42Å; S122-G197 PolarHBondContact O-N 3.13Å; S122-S198 VanDerWaalsContact CB-OG 3.32Å; S122-S198 WeakPolarHBondContact CB-OG 3.42Å; S122-S198 PolarHBondContact N-O 2.83Å; S122-S198 PolarHBondContact OG-OG 3.2Å; S122-W228 PolarHBondContact OG-NE1 3.01Å; S122-W228 VanDerWaalsContact OG-NE1 3.16Å |
| 123 | G | 90.2 | Very high | 82.6 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 170 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | Y133 G197 L229 | G123-Y133 WeakPolarHBondContact O-CD1 3.45Å; G123-G197 PolarHBondContact O-N 3.34Å; G123-L229 PolarHBondContact N-O 2.95Å |
| 124 | Q | 89.1 | Confident | 84.2 | Confident | 92 Ų | 92 | 54.6 Ų | 54.6 | 43% | 0.43 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -108.9 | -29.3 | 173 | -69 | -174.1 | -30.5 | 0 | 0 | 113.1 | Y133 P196 | Q124-Y133 PolarHBondContact O-N 3.18Å; Q124-P196 PolarHBondContact NE2-O 3.49Å |
| 125 | Y | 89.5 | Confident | 85.4 | Confident | 134 Ų | 134 | 53.2 Ų | 53.2 | 53% | 0.525 | 29% | 0.289 | S | S | . | . | B | Isolated β-bridge | trans | -142.7 | 137.1 | -176.1 | -51.5 | -82.2 | 0 | 0 | 0 | 108.9 | E131 I132 | Y125-E131 WeakPolarHBondContact CA-O 3.24Å; Y125-I132 HydrophobicContact CD1-CB 4.35Å; Y125-I132 HydrophobicContact CD1-CG1 3.95Å; Y125-I132 HydrophobicContact CD1-CG2 4.26Å; Y125-I132 HydrophobicContact CE1-CB 4.41Å; Y125-I132 HydrophobicContact CE1-CD1 4.29Å; Y125-I132 HydrophobicContact CE1-CG1 3.93Å; Y125-I132 HydrophobicContact CE1-CG2 3.97Å |
| 126 | D | 86.1 | Confident | 86.3 | Confident | 9 Ų | 9 | 52.7 Ų | 52.7 | 5% | 0.048 | 28% | 0.284 | C | S | . | . | trans | -70.2 | 120 | 167.8 | 173.1 | -14.4 | 0 | 0 | 0 | 108.8 | Q128 T129 G130 E131 L229 W283 | D126-Q128 PolarHBondContact O-N 2.81Å; D126-Q128 WeakPolarHBondContact OD1-CA 3.43Å; D126-Q128 WeakPolarHBondContact OD1-CB 3.36Å; D126-Q128 PolarHBondContact OD1-N 3.43Å; D126-T129 VanDerWaalsContact CB-OG1 3.28Å; D126-T129 WeakPolarHBondContact CB-OG1 3.47Å; D126-T129 PolarHBondContact OD1-N 3.39Å; D126-T129 WeakPolarHBondContact OD2-CG2 3.42Å; D126-T129 PolarHBondContact OD2-OG1 3.44Å; D126-G130 VanDerWaalsContact O-CA 3.29Å; D126-G130 WeakPolarHBondContact O-CA 3.27Å; D126-G130 PolarHBondContact O-N 3.4Å; D126-E131 HydrophobicContact CB-CB 4.41Å; D126-E131 PolarHBondContact N-O 2.51Å; D126-L229 HydrophobicContact CB-CD2 4.31Å; D126-W283 HydrophobicContact CB-CZ2 4.29Å; D126-W283 PolarHBondContact OD2-NE1 3Å | ||
| 127 | P | 77.3 | Confident | 86.9 | Confident | 90 Ų | 90 | 52.7 Ų | 52.7 | 58% | 0.584 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -12.4 | -175.9 | 31.9 | -38.2 | 0 | 0 | 0 | 114.1 | M281 | P127-M281 HydrophobicContact CG-CE 4.26Å; P127-M281 HydrophobicContact CG-SD 4.34Å |
| 128 | Q | 76.3 | Confident | 87 | Confident | 167 Ų | 167 | 52.6 Ų | 52.6 | 78% | 0.78 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -39.5 | 178.6 | -56.8 | -169.7 | 9.8 | 0 | 0 | 112.7 | D126 | D126-Q128 PolarHBondContact O-N 2.81Å; D126-Q128 WeakPolarHBondContact OD1-CA 3.43Å; D126-Q128 WeakPolarHBondContact OD1-CB 3.36Å; D126-Q128 PolarHBondContact OD1-N 3.43Å |
| 129 | T | 82.7 | Confident | 86.9 | Confident | 81 Ų | 81 | 52.6 Ų | 52.6 | 50% | 0.497 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -23 | -176.4 | 63.9 | 0 | 0 | 0 | 0 | 113.8 | D126 E131 | D126-T129 VanDerWaalsContact CB-OG1 3.28Å; D126-T129 WeakPolarHBondContact CB-OG1 3.47Å; D126-T129 PolarHBondContact OD1-N 3.39Å; D126-T129 WeakPolarHBondContact OD2-CG2 3.42Å; D126-T129 PolarHBondContact OD2-OG1 3.44Å; T129-E131 WeakPolarHBondContact OG1-CB 3.38Å; T129-E131 WeakPolarHBondContact OG1-CG 3.11Å; T129-E131 PolarHBondContact OG1-N 2.94Å; T129-E131 VanDerWaalsContact OG1-N 3.15Å |
| 130 | G | 83.1 | Confident | 86.7 | Confident | 52 Ų | 52 | 54.3 Ų | 54.3 | 54% | 0.536 | 30% | 0.297 | S | S | . | . | trans | 75.6 | 5.9 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | D126 I132 | D126-G130 VanDerWaalsContact O-CA 3.29Å; D126-G130 WeakPolarHBondContact O-CA 3.27Å; D126-G130 PolarHBondContact O-N 3.4Å; G130-I132 PolarHBondContact O-N 2.94Å | ||
| 131 | E | 84.3 | Confident | 86.7 | Confident | 80 Ų | 80 | 54.3 Ų | 54.3 | 37% | 0.374 | 30% | 0.297 | S | S | . | . | trans | -64.9 | 132.6 | 178.2 | -73.8 | -171.1 | 170.9 | 0 | 0 | 111.8 | Y125 D126 T129 W283 K288 | Y125-E131 WeakPolarHBondContact CA-O 3.24Å; D126-E131 HydrophobicContact CB-CB 4.41Å; D126-E131 PolarHBondContact N-O 2.51Å; T129-E131 WeakPolarHBondContact OG1-CB 3.38Å; T129-E131 WeakPolarHBondContact OG1-CG 3.11Å; T129-E131 PolarHBondContact OG1-N 2.94Å; T129-E131 VanDerWaalsContact OG1-N 3.15Å; E131-W283 HydrophobicContact CB-CZ2 3.96Å; E131-K288 WeakPolarHBondContact OE2-CD 3.22Å; E131-K288 WeakPolarHBondContact OE2-CG 3.44Å | ||
| 132 | I | 87.8 | Confident | 86.7 | Confident | 99 Ų | 99 | 52.8 Ų | 52.8 | 51% | 0.508 | 29% | 0.292 | S | S | . | . | B | Isolated β-bridge | trans | -81.7 | 135 | -178.8 | -47.8 | -178 | 0 | 0 | 0 | 109.5 | Y125 G130 S134 | Y125-I132 HydrophobicContact CD1-CB 4.35Å; Y125-I132 HydrophobicContact CD1-CG1 3.95Å; Y125-I132 HydrophobicContact CD1-CG2 4.26Å; Y125-I132 HydrophobicContact CE1-CB 4.41Å; Y125-I132 HydrophobicContact CE1-CD1 4.29Å; Y125-I132 HydrophobicContact CE1-CG1 3.93Å; Y125-I132 HydrophobicContact CE1-CG2 3.97Å; G130-I132 PolarHBondContact O-N 2.94Å; I132-S134 PolarHBondContact O-N 2.92Å |
| 133 | Y | 90.4 | Very high | 86.6 | Confident | 5 Ų | 5 | 52.9 Ų | 52.9 | 2% | 0.02 | 29% | 0.293 | C | S | . | . | trans | -81.5 | 110.9 | 163.1 | -169.4 | -147.6 | 0 | 0 | 0 | 108.9 | G123 Q124 S135 C137 F194 P196 E227 W228 L229 W283 | G123-Y133 WeakPolarHBondContact O-CD1 3.45Å; Q124-Y133 PolarHBondContact O-N 3.18Å; Y133-S135 WeakPolarHBondContact CE2-O 3.44Å; Y133-S135 PolarHBondContact OH-O 3.08Å; Y133-C137 VanDerWaalsContact OH-CB 3.31Å; Y133-C137 WeakPolarHBondContact OH-CB 3.31Å; Y133-C137 PolarHBondContact OH-N 2.81Å; Y133-F194 PolarHBondContact OH-O 3.05Å; Y133-P196 HydrophobicContact CD1-CB 3.78Å; Y133-P196 HydrophobicContact CD1-CG 3.61Å; Y133-P196 HydrophobicContact CD2-CG 4.43Å; Y133-P196 HydrophobicContact CE1-CB 4.5Å; Y133-P196 HydrophobicContact CE1-CG 4.02Å; Y133-P196 HydrophobicContact CG-CB 4.14Å; Y133-P196 HydrophobicContact CG-CG 3.82Å; Y133-P196 WeakPolarHBondContact O-CB 3.34Å; Y133-P196 WeakPolarHBondContact O-CG 3.47Å; Y133-E227 HydrophobicContact CE2-CB 4.42Å; Y133-E227 VanDerWaalsContact CE2-O 3.25Å; Y133-E227 WeakPolarHBondContact CE2-O 3.43Å; Y133-E227 PolarHBondContact OH-O 3.44Å; Y133-W228 AromaticContact CE1-CD1 3.91Å; Y133-W228 AromaticContact CZ-CD1 3.9Å; Y133-L229 HydrophobicContact CD1-CB 4.26Å; Y133-L229 HydrophobicContact CG-CB 4.23Å; Y133-W283 AromaticContact CD2-CH2 3.95Å; Y133-W283 HydrophobicContact CD2-CH2 3.95Å; Y133-W283 AromaticContact CD2-CZ3 3.69Å; Y133-W283 HydrophobicContact CD2-CZ3 3.69Å; Y133-W283 HydrophobicContact CE2-CZ3 4.34Å; Y133-W283 HydrophobicContact CG-CH2 4.22Å; Y133-W283 HydrophobicContact CG-CZ3 4.23Å | ||
| 134 | S | 81.7 | Confident | 86.6 | Confident | 90 Ų | 90 | 53.1 Ų | 53.1 | 63% | 0.629 | 29% | 0.294 | S | S | * | . | trans | -112.4 | -10.2 | -160.4 | 53.4 | 0 | 0 | 0 | 0 | 115.2 | I132 | I132-S134 PolarHBondContact O-N 2.92Š| ||
| 135 | S | 84.7 | Confident | 86.5 | Confident | 24 Ų | 24 | 48.9 Ų | 48.9 | 17% | 0.168 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -149.3 | 156.6 | -176.1 | 50.4 | 0 | 0 | 0 | 0 | 110.9 | Y133 | Y133-S135 WeakPolarHBondContact CE2-O 3.44Å; Y133-S135 PolarHBondContact OH-O 3.08Å |
| 136 | I | 86.7 | Confident | 86.2 | Confident | 54 Ų | 54 | 42.5 Ų | 42.5 | 28% | 0.277 | 25% | 0.25 | S | C | . | . | trans | -63.6 | 135.9 | 170.4 | -86.3 | 172.7 | 0 | 0 | 0 | 109.4 | T138 L191 | I136-T138 PolarHBondContact O-N 2.74Å; I136-L191 HydrophobicContact CD1-CB 4.42Å; I136-L191 HydrophobicContact CD1-CD2 4.41Å | ||
| 137 | C | 89 | Confident | 85.7 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -55.2 | 127.6 | 170.3 | -177.4 | 0 | 0 | 0 | 0 | 110 | Y133 R158 F194 E227 W228 | Y133-C137 VanDerWaalsContact OH-CB 3.31Å; Y133-C137 WeakPolarHBondContact OH-CB 3.31Å; Y133-C137 PolarHBondContact OH-N 2.81Å; C137-R158 PolarHBondContact O-NH2 2.88Å; C137-F194 HydrophobicContact CB-CB 3.97Å; C137-E227 WeakPolarHBondContact CA-O 3.49Å; C137-E227 WeakPolarHBondContact CB-O 3.5Å; C137-W228 HydrophobicContact CB-CB 4.03Å; C137-W228 HydrophobicContact CB-CG 4.25Å | ||
| 138 | T | 87.5 | Confident | 85 | Confident | 45 Ų | 45 | 41.1 Ų | 41.1 | 28% | 0.276 | 23% | 0.234 | S | C | . | . | trans | -95.4 | -14.7 | 174.4 | 59.3 | 0 | 0 | 0 | 0 | 114.2 | I136 S222 G223 T224 Y225 | I136-T138 PolarHBondContact O-N 2.74Å; T138-S222 CarbonylContact C-O 3.47Å; T138-S222 PolarHBondContact OG1-O 2.89Å; T138-G223 VanDerWaalsContact OG1-C 3.23Å; T138-G223 WeakPolarHBondContact OG1-CA 3.34Å; T138-T224 PolarHBondContact OG1-N 3.05Å; T138-T224 VanDerWaalsContact OG1-N 3.14Å; T138-Y225 HydrophobicContact CG2-CD2 3.96Å; T138-Y225 HydrophobicContact CG2-CG 4.48Å; T138-Y225 PolarHBondContact N-O 2.88Å; T138-Y225 PolarHBondContact OG1-N 3.02Å; T138-Y225 PolarHBondContact OG1-O 2.81Å | ||
| 139 | A | 87.2 | Confident | 84.3 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -68.2 | -175.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | P141 R158 H219 D220 S222 P226 | A139-P141 WeakPolarHBondContact O-CD 3.41Å; A139-R158 VanDerWaalsContact O-CZ 3.26Å; A139-R158 PolarHBondContact O-NE 3.03Å; A139-R158 PolarHBondContact O-NH2 3.2Å; A139-H219 HydrophobicContact CB-CB 3.94Å; A139-D220 WeakPolarHBondContact CB-OD1 3.28Å; A139-S222 WeakPolarHBondContact CA-O 3.42Å; A139-S222 PolarHBondContact N-O 3.18Å; A139-P226 HydrophobicContact CB-CB 4.29Å |
| 140 | N | 88.3 | Confident | 83.5 | Confident | 58 Ų | 58 | 43.2 Ų | 43.2 | 31% | 0.31 | 23% | 0.227 | S | C | . | . | trans | -105.6 | 86.9 | 173.5 | -70 | -58.3 | 0 | 0 | 0 | 112.1 | T142 L156 H219 D220 | N140-T142 PolarHBondContact O-N 3.17Å; N140-L156 HydrophobicContact CB-CD1 3.74Å; N140-H219 WeakPolarHBondContact O-CA 3.36Å; N140-H219 WeakPolarHBondContact O-CB 2.92Å; N140-D220 PolarHBondContact N-OD1 3.01Å; N140-D220 PolarHBondContact ND2-OD2 3.26Å | ||
| 141 | P | 92.9 | Very high | 82.9 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -50 | 128.4 | 168 | -34.6 | 39.4 | 0 | 0 | 0 | 113.9 | A139 L157 F194 S218 W228 | A139-P141 WeakPolarHBondContact O-CD 3.41Å; P141-L157 HydrophobicContact CB-CB 4.13Å; P141-L157 HydrophobicContact CB-CD1 3.82Å; P141-L157 PolarHBondContact O-N 3.35Å; P141-F194 HydrophobicContact CB-CE1 4.18Å; P141-F194 HydrophobicContact CB-CE2 4.18Å; P141-F194 HydrophobicContact CB-CZ 3.83Å; P141-F194 HydrophobicContact CG-CD2 4.05Å; P141-F194 HydrophobicContact CG-CE1 4.25Å; P141-F194 HydrophobicContact CG-CE2 3.78Å; P141-F194 HydrophobicContact CG-CG 4.4Å; P141-F194 HydrophobicContact CG-CZ 3.89Å; P141-S218 CarbonylContact C-O 3.59Å; P141-S218 WeakPolarHBondContact CA-O 3.32Å; P141-W228 HydrophobicContact CB-CE3 4.13Å; P141-W228 HydrophobicContact CB-CH2 3.99Å; P141-W228 HydrophobicContact CB-CZ3 3.61Å; P141-W228 HydrophobicContact CG-CD2 4.49Å; P141-W228 HydrophobicContact CG-CE3 3.95Å; P141-W228 HydrophobicContact CG-CH2 4.42Å; P141-W228 HydrophobicContact CG-CZ3 3.94Å |
| 142 | T | 92.5 | Very high | 82.2 | Confident | 29 Ų | 29 | 39.8 Ų | 39.8 | 18% | 0.178 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 142.1 | 177.9 | 41.8 | 0 | 0 | 0 | 0 | 109.7 | N140 I155 I217 S218 | N140-T142 PolarHBondContact O-N 3.17Å; T142-I155 CarbonylContact C-O 3.56Å; T142-I155 VanDerWaalsContact CA-O 3.27Å; T142-I155 WeakPolarHBondContact CA-O 3.5Å; T142-I217 WeakPolarHBondContact O-CA 3.11Å; T142-S218 PolarHBondContact N-O 2.87Å; T142-S218 PolarHBondContact O-N 2.71Å; T142-S218 PolarHBondContact OG1-O 2.83Å; T142-S218 VanDerWaalsContact OG1-O 3.05Å; T142-S218 PolarHBondContact OG1-OG 3.24Å |
| 143 | I | 92.3 | Very high | 81.5 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 148.3 | 172.9 | -166.6 | 168.9 | 0 | 0 | 0 | 109.9 | V118 P154 I155 L157 I204 R216 I233 | V118-I143 HydrophobicContact CG1-CD1 4.31Å; I143-P154 WeakPolarHBondContact O-CA 3.48Å; I143-I155 HydrophobicContact CG2-CB 4.3Å; I143-I155 PolarHBondContact N-O 3.22Å; I143-I155 PolarHBondContact O-N 2.91Å; I143-L157 HydrophobicContact CB-CD1 4.26Å; I143-L157 HydrophobicContact CB-CD2 4.13Å; I143-L157 HydrophobicContact CB-CG 4.22Å; I143-L157 HydrophobicContact CG2-CD2 3.7Å; I143-L157 HydrophobicContact CG2-CG 4.08Å; I143-I204 HydrophobicContact CG2-CD1 3.56Å; I143-R216 CarbonylContact C-O 3.59Å; I143-R216 WeakPolarHBondContact CA-O 3.39Å; I143-I233 HydrophobicContact CD1-CG2 4.44Å |
| 144 | T | 90.2 | Very high | 81.1 | Confident | 6 Ų | 6 | 45.8 Ų | 45.8 | 4% | 0.037 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 123.3 | 171.4 | -38.5 | 0 | 0 | 0 | 0 | 108.5 | T152 I215 R216 | T144-T152 WeakPolarHBondContact CA-OG1 3.43Å; T144-T152 WeakPolarHBondContact CG2-O 3.4Å; T144-T152 VanDerWaalsContact CG2-OG1 3.27Å; T144-T152 WeakPolarHBondContact CG2-OG1 3.38Å; T144-I215 WeakPolarHBondContact O-CA 3.35Å; T144-R216 PolarHBondContact N-O 3.1Å; T144-R216 PolarHBondContact O-N 2.75Å |
| 145 | I | 87.2 | Confident | 81.3 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 130.7 | 177.6 | -68.3 | 163.9 | 0 | 0 | 0 | 107.2 | T152 L206 I212 I215 L235 | I145-T152 HydrophobicContact CB-CG2 3.99Å; I145-T152 PolarHBondContact N-OG1 2.98Å; I145-T152 WeakPolarHBondContact O-CG2 3.3Å; I145-T152 PolarHBondContact O-N 2.63Å; I145-T152 PolarHBondContact O-OG1 3.41Å; I145-L206 HydrophobicContact CB-CD2 4.46Å; I145-L206 HydrophobicContact CD1-CD1 4.41Å; I145-L206 HydrophobicContact CD1-CD2 3.96Å; I145-I212 HydrophobicContact CG2-CD1 4.02Å; I145-I212 HydrophobicContact CG2-CG1 3.98Å; I145-I212 HydrophobicContact CG2-CG2 4.05Å; I145-I215 HydrophobicContact CG1-CG2 4.03Å; I145-L235 HydrophobicContact CD1-CD1 4.05Å; I145-L235 HydrophobicContact CD1-CD2 4.23Å; I145-L235 HydrophobicContact CG1-CD1 4.26Å |
| 146 | C | 82.7 | Confident | 81.4 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.007 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 138.4 | -171.5 | -52.1 | 0 | 0 | 0 | 0 | 110.4 | S151 I212 S213 K214 | C146-S151 PolarHBondContact SG-OG 3.35Å; C146-S151 VanDerWaalsContact SG-OG 3.4Å; C146-I212 CarbonylContact O-C 3.49Å; C146-S213 PolarHBondContact O-N 3.34Å; C146-S213 PolarHBondContact O-OG 3.42Å; C146-K214 HydrophobicContact CB-CG 3.66Å; C146-K214 WeakPolarHBondContact CB-O 3.1Å; C146-K214 PolarHBondContact N-O 2.86Å; C146-K214 PolarHBondContact O-N 2.7Å |
| 147 | N | 75.2 | Confident | 81.6 | Confident | 27 Ų | 27 | 42.1 Ų | 42.1 | 14% | 0.144 | 21% | 0.207 | C | C | . | . | trans | -97.4 | -168.7 | 160.6 | 71.9 | 38.6 | 0 | 0 | 0 | 109.8 | Y149 R150 F209 E211 S213 | N147-Y149 VanDerWaalsContact C-N 3.29Å; N147-Y149 PolarHBondContact O-N 3.14Å; N147-Y149 PolarHBondContact OD1-N 3.5Å; N147-R150 PolarHBondContact N-O 2.94Å; N147-R150 PolarHBondContact OD1-N 2.64Å; N147-R150 PolarHBondContact OD1-O 3.37Å; N147-F209 HydrophobicContact CB-CD1 4.06Å; N147-F209 HydrophobicContact CB-CE1 4.29Å; N147-F209 WeakPolarHBondContact ND2-CE1 3.45Å; N147-E211 HydrophobicContact CB-CG 4.22Å; N147-E211 WeakPolarHBondContact CB-O 3.09Å; N147-S213 PolarHBondContact O-OG 3.2Å | ||
| 148 | R | 62.1 | Low | 81.5 | Confident | 42 Ų | 42 | 45.9 Ų | 45.9 | 16% | 0.158 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -70.4 | -21.3 | -178.5 | -171.8 | -176 | -53.9 | -175.2 | 0.5 | 114.5 | E211 V317 Y318 | R148-E211 WeakPolarHBondContact CB-OE1 3.37Å; R148-E211 IonicContact CZ-OE2 3.44Å; R148-E211 PolarHBondContact N-OE1 2.96Å; R148-E211 IonicContact NE-OE1 2.71Å; R148-E211 IonicContact NE-OE2 3.39Å; R148-E211 IonicContact NH2-OE2 3.33Å; R148-E211 PolarHBondContact NH2-OE2 3.34Å; R148-V317 PolarHBondContact NH1-O 2.88Å; R148-Y318 PolarHBondContact NH2-O 2.97Å; R148-Y318 VanDerWaalsContact NH2-O 3.1Å |
| 149 | Y | 61.1 | Low | 81.1 | Confident | 171 Ų | 171 | 45.1 Ų | 45.1 | 67% | 0.671 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -121 | -21.8 | -169.3 | -56.4 | -76.3 | 0 | 0 | 0 | 114.2 | N147 | N147-Y149 VanDerWaalsContact C-N 3.29Å; N147-Y149 PolarHBondContact O-N 3.14Å; N147-Y149 PolarHBondContact OD1-N 3.5Å |
| 150 | R | 66.5 | Low | 80.8 | Confident | 121 Ų | 121 | 45.8 Ų | 45.8 | 46% | 0.457 | 22% | 0.223 | S | C | . | . | trans | -143.9 | 152.4 | -172.5 | -60.5 | -179.5 | 178.1 | -127.1 | -12.9 | 111.1 | N147 H1280 | N147-R150 PolarHBondContact N-O 2.94Å; N147-R150 PolarHBondContact OD1-N 2.64Å; N147-R150 PolarHBondContact OD1-O 3.37Å; R150-H1280 VanDerWaalsContact NH2-CG 3.25Å; R150-H1280 PolarHBondContact NH2-ND1 3.4Å | ||
| 151 | S | 70.5 | Confident | 80.7 | Confident | 38 Ų | 38 | 44.6 Ų | 44.6 | 27% | 0.266 | 22% | 0.215 | S | C | . | . | B | Isolated β-bridge | trans | -103.4 | 156.6 | 164.1 | -64.7 | 0 | 0 | 0 | 0 | 109.6 | C146 R216 | C146-S151 PolarHBondContact SG-OG 3.35Å; C146-S151 VanDerWaalsContact SG-OG 3.4Å; S151-R216 PolarHBondContact OG-NH1 3.4Å |
| 152 | T | 69.6 | Low | 80.3 | Confident | 23 Ų | 23 | 47.6 Ų | 47.6 | 14% | 0.141 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -59.8 | 171.5 | 156.6 | 59.5 | 0 | 0 | 0 | 0 | 110.1 | T144 I145 L206 F209 | T144-T152 WeakPolarHBondContact CA-OG1 3.43Å; T144-T152 WeakPolarHBondContact CG2-O 3.4Å; T144-T152 VanDerWaalsContact CG2-OG1 3.27Å; T144-T152 WeakPolarHBondContact CG2-OG1 3.38Å; I145-T152 HydrophobicContact CB-CG2 3.99Å; I145-T152 PolarHBondContact N-OG1 2.98Å; I145-T152 WeakPolarHBondContact O-CG2 3.3Å; I145-T152 PolarHBondContact O-N 2.63Å; I145-T152 PolarHBondContact O-OG1 3.41Å; T152-L206 HydrophobicContact CG2-CD2 3.85Å; T152-F209 HydrophobicContact CG2-CD2 4.44Å; T152-F209 HydrophobicContact CG2-CE2 3.46Å; T152-F209 VanDerWaalsContact CG2-CE2 3.46Å; T152-F209 HydrophobicContact CG2-CZ 3.5Å |
| 153 | Q | 72.7 | Confident | 79.8 | Confident | 150 Ų | 150 | 48.5 Ų | 48.5 | 70% | 0.701 | 24% | 0.237 | S | C | * | . | P | Polyproline II helix | trans | -61.2 | 153.5 | 153.5 | -66.6 | -65.1 | 1.2 | 0 | 0 | 110 | I155 | Q153-I155 PolarHBondContact O-N 2.83Š|
| 154 | P | 83.1 | Confident | 79.3 | Confident | 79 Ų | 79 | 50.3 Ų | 50.3 | 51% | 0.513 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -68.4 | 124.7 | 168.6 | -16.8 | 31.7 | 0 | 0 | 0 | 110.2 | I143 | I143-P154 WeakPolarHBondContact O-CA 3.48Š|
| 155 | I | 85.3 | Confident | 78.7 | Confident | 37 Ų | 37 | 52.7 Ų | 52.7 | 19% | 0.19 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 128.3 | -174.7 | -64.7 | 171.7 | 0 | 0 | 0 | 109.2 | T142 I143 Q153 L157 I204 | T142-I155 CarbonylContact C-O 3.56Å; T142-I155 VanDerWaalsContact CA-O 3.27Å; T142-I155 WeakPolarHBondContact CA-O 3.5Å; I143-I155 HydrophobicContact CG2-CB 4.3Å; I143-I155 PolarHBondContact N-O 3.22Å; I143-I155 PolarHBondContact O-N 2.91Å; Q153-I155 PolarHBondContact O-N 2.83Å; I155-L157 PolarHBondContact O-N 3.06Å; I155-I204 HydrophobicContact CD1-CG2 3.46Å; I155-I204 VanDerWaalsContact CD1-CG2 3.46Å; I155-I204 HydrophobicContact CG2-CD1 4.39Å; I155-I204 HydrophobicContact CG2-CG2 4.32Å |
| 156 | L | 87.8 | Confident | 77.3 | Confident | 55 Ų | 55 | 55.3 Ų | 55.3 | 29% | 0.288 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 108.3 | -178.9 | 177.3 | 61.2 | 0 | 0 | 0 | 110 | N140 R158 S159 A160 | N140-L156 HydrophobicContact CB-CD1 3.74Å; L156-R158 HydrophobicContact CD1-CB 4.28Å; L156-R158 HydrophobicContact CG-CB 4.17Å; L156-R158 PolarHBondContact O-N 3.36Å; L156-R158 VanDerWaalsContact O-N 3.1Å; L156-S159 PolarHBondContact O-N 3.28Å; L156-S159 PolarHBondContact O-OG 3.14Å; L156-A160 PolarHBondContact O-N 2.95Å |
| 157 | L | 90 | Very high | 75.8 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -26.6 | -176.4 | -71 | 164.2 | 0 | 0 | 0 | 112.4 | I120 P141 I143 I155 S159 A160 Y161 F194 F202 I204 W228 | I120-L157 HydrophobicContact CD1-CD1 3.53Å; I120-L157 HydrophobicContact CD1-CD2 3.78Å; I120-L157 HydrophobicContact CD1-CG 4.28Å; P141-L157 HydrophobicContact CB-CB 4.13Å; P141-L157 HydrophobicContact CB-CD1 3.82Å; P141-L157 PolarHBondContact O-N 3.35Å; I143-L157 HydrophobicContact CB-CD1 4.26Å; I143-L157 HydrophobicContact CB-CD2 4.13Å; I143-L157 HydrophobicContact CB-CG 4.22Å; I143-L157 HydrophobicContact CG2-CD2 3.7Å; I143-L157 HydrophobicContact CG2-CG 4.08Å; I155-L157 PolarHBondContact O-N 3.06Å; L157-S159 VanDerWaalsContact C-N 3.27Å; L157-S159 PolarHBondContact O-N 2.76Å; L157-A160 PolarHBondContact O-N 2.8Å; L157-Y161 PolarHBondContact O-N 2.97Å; L157-F194 HydrophobicContact CB-CE1 4.38Å; L157-F194 HydrophobicContact CB-CZ 3.81Å; L157-F194 HydrophobicContact CD1-CE1 4.5Å; L157-F202 HydrophobicContact CB-CD1 4.23Å; L157-F202 HydrophobicContact CB-CE1 3.99Å; L157-F202 HydrophobicContact CB-CZ 4.48Å; L157-F202 HydrophobicContact CD2-CD1 4.19Å; L157-F202 HydrophobicContact CD2-CD2 4.31Å; L157-F202 HydrophobicContact CD2-CG 4.11Å; L157-F202 WeakPolarHBondContact O-CD1 3.39Å; L157-F202 WeakPolarHBondContact O-CE1 3.49Å; L157-I204 HydrophobicContact CD2-CD1 4.06Å; L157-W228 HydrophobicContact CD1-CH2 3.89Å; L157-W228 HydrophobicContact CD1-CZ3 4.39Å |
| 158 | R | 86.4 | Confident | 74.2 | Confident | 78 Ų | 78 | 65.5 Ų | 65.5 | 29% | 0.294 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -29.3 | 174.1 | -70 | -169 | -176 | -70.3 | -4.1 | 113.9 | C137 A139 L156 F194 | C137-R158 PolarHBondContact O-NH2 2.88Å; A139-R158 VanDerWaalsContact O-CZ 3.26Å; A139-R158 PolarHBondContact O-NE 3.03Å; A139-R158 PolarHBondContact O-NH2 3.2Å; L156-R158 HydrophobicContact CD1-CB 4.28Å; L156-R158 HydrophobicContact CG-CB 4.17Å; L156-R158 PolarHBondContact O-N 3.36Å; L156-R158 VanDerWaalsContact O-N 3.1Å; R158-F194 HydrophobicContact CG-CE2 4.01Å |
| 159 | S | 79.1 | Confident | 73 | Confident | 30 Ų | 30 | 67.9 Ų | 67.9 | 21% | 0.21 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -31.8 | 179.6 | 67.4 | 0 | 0 | 0 | 0 | 112.9 | E59 L156 L157 Y161 | E59-S159 PolarHBondContact OE1-OG 2.93Å; E59-S159 WeakPolarHBondContact OE2-CB 3.25Å; E59-S159 PolarHBondContact OE2-OG 3.04Å; L156-S159 PolarHBondContact O-N 3.28Å; L156-S159 PolarHBondContact O-OG 3.14Å; L157-S159 VanDerWaalsContact C-N 3.27Å; L157-S159 PolarHBondContact O-N 2.76Å; S159-Y161 PolarHBondContact O-N 2.88Å |
| 160 | A | 81.4 | Confident | 71.6 | Confident | 13 Ų | 13 | 68.4 Ų | 68.4 | 11% | 0.107 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -74 | -3.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L156 L157 F202 E203 I204 | L156-A160 PolarHBondContact O-N 2.95Å; L157-A160 PolarHBondContact O-N 2.8Å; A160-F202 HydrophobicContact CB-CB 4.06Å; A160-F202 HydrophobicContact CB-CD1 4.39Å; A160-F202 WeakPolarHBondContact O-CA 3.21Å; A160-E203 WeakPolarHBondContact CB-O 3.4Å; A160-E203 PolarHBondContact O-N 3.35Å; A160-E203 VanDerWaalsContact O-N 3.08Å; A160-I204 HydrophobicContact CB-CG1 4Å |
| 161 | Y | 86 | Confident | 70 | Confident | 33 Ų | 33 | 69.2 Ų | 69.2 | 13% | 0.129 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 127.3 | -170.2 | 173.7 | -112 | 0 | 0 | 0 | 114.3 | R62 L157 S159 C163 T164 P193 F202 | R62-Y161 PolarHBondContact NH2-O 3.44Å; R62-Y161 VanDerWaalsContact NH2-O 3.16Å; L157-Y161 PolarHBondContact O-N 2.97Å; S159-Y161 PolarHBondContact O-N 2.88Å; Y161-C163 WeakPolarHBondContact OH-CA 3.2Å; Y161-T164 PolarHBondContact OH-N 2.84Å; Y161-T164 PolarHBondContact OH-OG1 2.94Å; Y161-P193 HydrophobicContact CD1-CG 4.12Å; Y161-P193 HydrophobicContact CD2-CB 3.7Å; Y161-P193 HydrophobicContact CD2-CG 3.85Å; Y161-P193 HydrophobicContact CE1-CG 4.26Å; Y161-P193 HydrophobicContact CE2-CB 3.65Å; Y161-P193 HydrophobicContact CE2-CG 3.99Å; Y161-P193 HydrophobicContact CG-CB 4.29Å; Y161-P193 HydrophobicContact CG-CG 3.91Å; Y161-F202 HydrophobicContact CD2-CD1 4.33Å; Y161-F202 AromaticContact CD2-CE1 3.9Å; Y161-F202 HydrophobicContact CD2-CE1 3.9Å; Y161-F202 HydrophobicContact CD2-CZ 4.39Å; Y161-F202 HydrophobicContact CG-CE1 4.37Å |
| 162 | I | 83.7 | Confident | 68.3 | Low | 64 Ų | 64 | 72 Ų | 72 | 33% | 0.328 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | -64.4 | 176.7 | -53 | -57 | 0 | 0 | 0 | 110.6 | Y201 E203 | I162-Y201 HydrophobicContact CB-CD1 3.56Å; I162-Y201 HydrophobicContact CB-CE1 3.93Å; I162-Y201 HydrophobicContact CB-CG 4.37Å; I162-Y201 HydrophobicContact CG1-CD1 3.96Å; I162-Y201 HydrophobicContact CG1-CE1 3.9Å; I162-Y201 HydrophobicContact CG2-CD1 3.7Å; I162-Y201 HydrophobicContact CG2-CE1 3.87Å; I162-Y201 PolarHBondContact N-O 2.78Å; I162-E203 HydrophobicContact CD1-CB 4.21Å; I162-E203 HydrophobicContact CD1-CG 4.27Å; I162-E203 HydrophobicContact CG1-CB 4.22Å; I162-E203 HydrophobicContact CG1-CG 3.96Å |
| 163 | C | 82 | Confident | 66.4 | Low | 48 Ų | 48 | 78.9 Ų | 78.9 | 32% | 0.324 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.6 | 157.2 | -178.6 | 58.8 | 0 | 0 | 0 | 0 | 113.1 | Y161 Y201 | Y161-C163 WeakPolarHBondContact OH-CA 3.2Å; C163-Y201 PolarHBondContact N-O 2.77Å; C163-Y201 WeakPolarHBondContact O-CB 3.39Å; C163-Y201 PolarHBondContact O-N 2.89Å |
| 164 | T | 83.3 | Confident | 64.3 | Low | 38 Ų | 38 | 77.6 Ų | 77.6 | 23% | 0.233 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 131.6 | 162.3 | -52.3 | 0 | 0 | 0 | 0 | 109.3 | Y161 Y195 D200 | Y161-T164 PolarHBondContact OH-N 2.84Å; Y161-T164 PolarHBondContact OH-OG1 2.94Å; T164-Y195 HydrophobicContact CG2-CD1 4.24Å; T164-Y195 HydrophobicContact CG2-CE1 4.21Å; T164-D200 WeakPolarHBondContact CB-OD1 3.42Å; T164-D200 WeakPolarHBondContact CG2-OD1 3.35Å; T164-D200 PolarHBondContact OG1-OD1 2.86Å |
| 165 | L | 76.8 | Confident | 61.4 | Low | 56 Ų | 56 | 83.4 Ų | 83.4 | 29% | 0.293 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 147 | 177.5 | -58.1 | 179.1 | 0 | 0 | 0 | 111.3 | F119 I199 | F119-L165 HydrophobicContact CD1-CD1 3.95Å; F119-L165 HydrophobicContact CE1-CD1 4.13Å; L165-I199 HydrophobicContact CB-CB 4.39Å; L165-I199 HydrophobicContact CD1-CG2 4.04Å; L165-I199 PolarHBondContact N-O 3.1Å |
| 166 | S | 58.3 | Low | 58.6 | Low | 58 Ų | 58 | 90.1 Ų | 90.1 | 41% | 0.406 | 48% | 0.478 | S | S | . | . | P | Polyproline II helix | trans | -75.9 | 138.4 | 175.2 | -175.4 | 0 | 0 | 0 | 0 | 110.7 | N168 D169 | S166-N168 PolarHBondContact O-N 3.44Å; S166-D169 WeakPolarHBondContact CB-OD2 3.47Å; S166-D169 PolarHBondContact O-N 2.78Å; S166-D169 VanDerWaalsContact O-N 3.16Å |
| 167 | P | 51.1 | Low | 55.6 | Low | 99 Ų | 99 | 90.7 Ų | 90.7 | 64% | 0.643 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -9.4 | 173.6 | -26.6 | 35.8 | 0 | 0 | 0 | 115.6 | ||
| 168 | N | 40.6 | Very low | 52.7 | Low | 142 Ų | 142 | 97.9 Ų | 97.9 | 76% | 0.759 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.7 | 4.7 | -178 | -62.7 | -5.6 | 0 | 0 | 0 | 113.9 | S166 E170 | S166-N168 PolarHBondContact O-N 3.44Å; N168-E170 PolarHBondContact O-N 2.83Å |
| 169 | D | 38.4 | Very low | 50 | Low | 92 Ų | 92 | 101.8 Ų | 101.8 | 49% | 0.492 | 56% | 0.557 | S | S | . | * | trans | -82.3 | 94.8 | 175.9 | -90.9 | -63.3 | 0 | 0 | 0 | 111 | S166 N171 | S166-D169 WeakPolarHBondContact CB-OD2 3.47Å; S166-D169 PolarHBondContact O-N 2.78Å; S166-D169 VanDerWaalsContact O-N 3.16Å; D169-N171 PolarHBondContact O-N 3.32Å | ||
| 170 | E | 31.3 | Very low | 47.6 | Very low | 183 Ų | 183 | 105.3 Ų | 105.3 | 86% | 0.855 | 58% | 0.582 | S | S | * | * | trans | -67.8 | 24.9 | -179.1 | -60.2 | -171.8 | 136.5 | 0 | 0 | 115 | N168 V172 | N168-E170 PolarHBondContact O-N 2.83Å; E170-V172 PolarHBondContact O-N 3.17Å | ||
| 171 | N | 32.7 | Very low | 45.2 | Very low | 137 Ų | 137 | 112.1 Ų | 112.1 | 73% | 0.733 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | 18.6 | -173.9 | -73 | -78.5 | 0 | 0 | 0 | 114.6 | D169 | D169-N171 PolarHBondContact O-N 3.32Š|
| 172 | V | 35.8 | Very low | 42.4 | Very low | 97 Ų | 97 | 119.5 Ų | 119.5 | 59% | 0.588 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.7 | -11.9 | 178.9 | -176.7 | 0 | 0 | 0 | 0 | 112.6 | E170 | E170-V172 PolarHBondContact O-N 3.17Š|
| 173 | Q | 28.1 | Very low | 39.8 | Very low | 167 Ų | 167 | 122 Ų | 122 | 78% | 0.78 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -140 | 143.5 | 175.2 | -65.1 | -170.1 | -0.8 | 0 | 0 | 112.8 | ||
| 174 | V | 28.3 | Very low | 37.3 | Very low | 124 Ų | 124 | 125 Ų | 125 | 75% | 0.752 | 70% | 0.697 | S | S | * | * | trans | 60.2 | 100.7 | 166.7 | -173 | 0 | 0 | 0 | 0 | 117.5 | Q176 | V174-Q176 HydrophobicContact CG1-CB 3.86Å; V174-Q176 PolarHBondContact O-N 2.94Å; V174-Q176 VanDerWaalsContact O-N 3.07Å | ||
| 175 | M | 23.7 | Very low | 34.5 | Very low | 200 Ų | 200 | 129.9 Ų | 129.9 | 99% | 0.985 | 73% | 0.727 | S | S | * | * | trans | -74.1 | 85.8 | 163.3 | -84.1 | -88.2 | -77.4 | 0 | 0 | 111.7 | ||||
| 176 | Q | 25.9 | Very low | 32.2 | Very low | 179 Ų | 179 | 133.2 Ų | 133.2 | 84% | 0.836 | 75% | 0.749 | S | S | * | * | trans | -149.9 | 82.1 | 173.6 | -142.5 | 175.5 | 62.5 | 0 | 0 | 116.4 | V174 | V174-Q176 HydrophobicContact CG1-CB 3.86Å; V174-Q176 PolarHBondContact O-N 2.94Å; V174-Q176 VanDerWaalsContact O-N 3.07Å | ||
| 177 | G | 25.4 | Very low | 30.6 | Very low | 67 Ų | 67 | 138.3 Ų | 138.3 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | trans | 91.6 | 120.3 | 143 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 178 | N | 29.1 | Very low | 29.7 | Very low | 150 Ų | 150 | 140.6 Ų | 140.6 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | trans | 77 | 94.1 | 146.2 | -54 | -17.3 | 0 | 0 | 0 | 121.1 | ||||
| 179 | E | 28.6 | Very low | 29.3 | Very low | 160 Ų | 160 | 139.8 Ų | 139.8 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | 37.4 | 132.3 | 127.1 | -63.3 | 177.2 | -174.9 | 0 | 0 | 123.1 | |||||
| 180 | S | 29 | Very low | 29.7 | Very low | 104 Ų | 104 | 142.5 Ų | 142.5 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | 76.8 | 121.2 | 158.3 | 75.5 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 181 | N | 32.2 | Very low | 30.8 | Very low | 157 Ų | 157 | 138.6 Ų | 138.6 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | -159.7 | 162.3 | 53.1 | -79 | -82 | 0 | 0 | 0 | 113.1 | |||||
| 182 | E | 27.4 | Very low | 32.4 | Very low | 187 Ų | 187 | 133.4 Ų | 133.4 | 87% | 0.874 | 75% | 0.75 | S | S | * | * | trans | -88.6 | 143.5 | 173.8 | -57.7 | 178.8 | 136.4 | 0 | 0 | 112.6 | ||||
| 183 | S | 28.5 | Very low | 34.8 | Very low | 116 Ų | 116 | 129.4 Ų | 129.4 | 81% | 0.811 | 73% | 0.726 | S | S | * | * | trans | 176.6 | 162.6 | 138.1 | 40.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 184 | S | 28.2 | Very low | 37.8 | Very low | 112 Ų | 112 | 121.4 Ų | 121.4 | 78% | 0.783 | 69% | 0.689 | S | S | * | * | trans | 66.2 | 73.7 | 170.3 | 57.4 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 185 | T | 25 | Very low | 40.6 | Very low | 140 Ų | 140 | 118.7 Ų | 118.7 | 86% | 0.859 | 67% | 0.666 | S | S | * | * | trans | -74.7 | 129.3 | 159.2 | 50.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 186 | T | 28.4 | Very low | 43.7 | Very low | 126 Ų | 126 | 110.2 Ų | 110.2 | 77% | 0.773 | 63% | 0.626 | S | S | * | * | trans | -119.2 | 123.3 | 166.9 | 51.2 | 0 | 0 | 0 | 0 | 111.4 | I188 | T186-I188 PolarHBondContact O-N 2.82Š| ||
| 187 | N | 25.5 | Very low | 46.5 | Very low | 165 Ų | 165 | 102.6 Ų | 102.6 | 88% | 0.882 | 60% | 0.595 | S | S | * | * | trans | -29.6 | 114.1 | -177 | -55.7 | -17.7 | 0 | 0 | 0 | 116.6 | ||||
| 188 | I | 31.3 | Very low | 49.5 | Very low | 148 Ų | 148 | 99.4 Ų | 99.4 | 76% | 0.759 | 56% | 0.563 | S | S | * | * | trans | -123.3 | 107.9 | 151.8 | -57.7 | 179.2 | 0 | 0 | 0 | 106.3 | T186 | T186-I188 PolarHBondContact O-N 2.82Š| ||
| 189 | T | 32.1 | Very low | 52.4 | Low | 124 Ų | 124 | 95 Ų | 95 | 76% | 0.761 | 54% | 0.538 | S | S | * | . | trans | -70.1 | 138.3 | 172.8 | 39.2 | 0 | 0 | 0 | 0 | 109.9 | L191 | T189-L191 PolarHBondContact O-N 3.03Å; T189-L191 VanDerWaalsContact O-N 3.17Å | ||
| 190 | Q | 46.5 | Very low | 55.4 | Low | 149 Ų | 149 | 87.3 Ų | 87.3 | 70% | 0.696 | 50% | 0.502 | S | S | * | . | trans | -60.5 | 114.9 | -166 | -68.7 | 156.7 | -89.1 | 0 | 0 | 112.5 | ||||
| 191 | L | 56 | Low | 58.3 | Low | 102 Ų | 102 | 83.4 Ų | 83.4 | 53% | 0.534 | 47% | 0.472 | S | S | . | . | trans | -89.1 | 152 | 166.1 | -71.5 | 166.7 | 0 | 0 | 0 | 109.5 | I136 T189 | I136-L191 HydrophobicContact CD1-CB 4.42Å; I136-L191 HydrophobicContact CD1-CD2 4.41Å; T189-L191 PolarHBondContact O-N 3.03Å; T189-L191 VanDerWaalsContact O-N 3.17Å | ||
| 192 | G | 66.1 | Low | 61 | Low | 27 Ų | 27 | 75.9 Ų | 75.9 | 28% | 0.278 | 43% | 0.432 | S | S | . | . | trans | -77.7 | 176.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 193 | P | 85.9 | Confident | 63.7 | Low | 13 Ų | 13 | 70.9 Ų | 70.9 | 8% | 0.084 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -64.6 | 162.1 | -179 | 26.6 | -33.9 | 0 | 0 | 0 | 112.9 | Y161 D200 F202 | Y161-P193 HydrophobicContact CD1-CG 4.12Å; Y161-P193 HydrophobicContact CD2-CB 3.7Å; Y161-P193 HydrophobicContact CD2-CG 3.85Å; Y161-P193 HydrophobicContact CE1-CG 4.26Å; Y161-P193 HydrophobicContact CE2-CB 3.65Å; Y161-P193 HydrophobicContact CE2-CG 3.99Å; Y161-P193 HydrophobicContact CG-CB 4.29Å; Y161-P193 HydrophobicContact CG-CG 3.91Å; P193-D200 WeakPolarHBondContact CA-OD1 3.49Å; P193-D200 HydrophobicContact CB-CB 4.23Å; P193-F202 HydrophobicContact CB-CZ 4.4Å |
| 194 | F | 90.5 | Very high | 66.1 | Low | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 37% | 0.369 | C | S | . | . | S | Bend | trans | 68.1 | 34.8 | 179.9 | -36.6 | -64.2 | 0 | 0 | 0 | 113.7 | Y133 C137 P141 L157 R158 D200 F202 W228 | Y133-F194 PolarHBondContact OH-O 3.05Å; C137-F194 HydrophobicContact CB-CB 3.97Å; P141-F194 HydrophobicContact CB-CE1 4.18Å; P141-F194 HydrophobicContact CB-CE2 4.18Å; P141-F194 HydrophobicContact CB-CZ 3.83Å; P141-F194 HydrophobicContact CG-CD2 4.05Å; P141-F194 HydrophobicContact CG-CE1 4.25Å; P141-F194 HydrophobicContact CG-CE2 3.78Å; P141-F194 HydrophobicContact CG-CG 4.4Å; P141-F194 HydrophobicContact CG-CZ 3.89Å; L157-F194 HydrophobicContact CB-CE1 4.38Å; L157-F194 HydrophobicContact CB-CZ 3.81Å; L157-F194 HydrophobicContact CD1-CE1 4.5Å; R158-F194 HydrophobicContact CG-CE2 4.01Å; F194-D200 WeakPolarHBondContact CA-OD2 3.34Å; F194-D200 PolarHBondContact N-OD2 3.21Å; F194-F202 HydrophobicContact CD1-CZ 4.47Å; F194-F202 HydrophobicContact CE1-CE1 4.15Å; F194-F202 HydrophobicContact CE1-CE2 4.4Å; F194-F202 AromaticContact CE1-CZ 3.51Å; F194-F202 HydrophobicContact CE1-CZ 3.51Å; F194-F202 AromaticContact CZ-CE1 3.89Å; F194-F202 HydrophobicContact CZ-CE1 3.89Å; F194-F202 AromaticContact CZ-CZ 3.74Å; F194-F202 HydrophobicContact CZ-CZ 3.74Å; F194-W228 AromaticContact CD1-CE2 3.61Å; F194-W228 HydrophobicContact CD1-CH2 4.05Å; F194-W228 AromaticContact CD1-CZ2 3.33Å; F194-W228 HydrophobicContact CD1-CZ2 3.33Å; F194-W228 AromaticContact CD1-NE1 3.83Å; F194-W228 AromaticContact CE1-CH2 3.89Å; F194-W228 HydrophobicContact CE1-CH2 3.89Å; F194-W228 AromaticContact CE1-CZ2 3.6Å; F194-W228 HydrophobicContact CE1-CZ2 3.6Å; F194-W228 HydrophobicContact CG-CZ2 4.35Å |
| 195 | Y | 87.2 | Confident | 68.2 | Low | 66 Ų | 66 | 63.1 Ų | 63.1 | 26% | 0.259 | 35% | 0.353 | S | S | . | . | trans | -82.2 | 146.7 | 172 | 110.2 | -102.9 | 0 | 0 | 0 | 111.2 | S122 T164 G197 S198 | S122-Y195 WeakPolarHBondContact CB-O 3.38Å; T164-Y195 HydrophobicContact CG2-CD1 4.24Å; T164-Y195 HydrophobicContact CG2-CE1 4.21Å; Y195-G197 PolarHBondContact O-N 2.95Å; Y195-S198 VanDerWaalsContact CD1-CB 3.49Å; Y195-S198 WeakPolarHBondContact O-CB 3.41Å; Y195-S198 PolarHBondContact O-N 3.47Å; Y195-S198 PolarHBondContact O-OG 3.23Å; Y195-S198 VanDerWaalsContact O-OG 3.11Å | ||
| 196 | P | 88.8 | Confident | 70.2 | Confident | 23 Ų | 23 | 56.7 Ų | 56.7 | 15% | 0.149 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 108.3 | -179.7 | -26 | 32.8 | 0 | 0 | 0 | 115 | Q124 Y133 | Q124-P196 PolarHBondContact NE2-O 3.49Å; Y133-P196 HydrophobicContact CD1-CB 3.78Å; Y133-P196 HydrophobicContact CD1-CG 3.61Å; Y133-P196 HydrophobicContact CD2-CG 4.43Å; Y133-P196 HydrophobicContact CE1-CB 4.5Å; Y133-P196 HydrophobicContact CE1-CG 4.02Å; Y133-P196 HydrophobicContact CG-CB 4.14Å; Y133-P196 HydrophobicContact CG-CG 3.82Å; Y133-P196 WeakPolarHBondContact O-CB 3.34Å; Y133-P196 WeakPolarHBondContact O-CG 3.47Å |
| 197 | G | 84.9 | Confident | 71.7 | Confident | 18 Ų | 18 | 55.7 Ų | 55.7 | 19% | 0.186 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94.6 | 7.8 | -172.8 | 0 | 0 | 0 | 0 | 0 | 115 | S122 G123 Y195 | S122-G197 CarbonylContact O-C 3.45Å; S122-G197 WeakPolarHBondContact O-CA 3.42Å; S122-G197 PolarHBondContact O-N 3.13Å; G123-G197 PolarHBondContact O-N 3.34Å; Y195-G197 PolarHBondContact O-N 2.95Å |
| 198 | S | 88.4 | Confident | 73.2 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.007 | 29% | 0.294 | C | S | . | . | trans | -63.8 | 154.7 | 174.1 | 70.5 | 0 | 0 | 0 | 0 | 112.4 | K121 S122 Y195 D200 | K121-S198 CarbonylContact C-O 3.58Å; K121-S198 VanDerWaalsContact CA-O 3.29Å; K121-S198 WeakPolarHBondContact CA-O 3.32Å; S122-S198 VanDerWaalsContact CB-OG 3.32Å; S122-S198 WeakPolarHBondContact CB-OG 3.42Å; S122-S198 PolarHBondContact N-O 2.83Å; S122-S198 PolarHBondContact OG-OG 3.2Å; Y195-S198 VanDerWaalsContact CD1-CB 3.49Å; Y195-S198 WeakPolarHBondContact O-CB 3.41Å; Y195-S198 PolarHBondContact O-N 3.47Å; Y195-S198 PolarHBondContact O-OG 3.23Å; Y195-S198 VanDerWaalsContact O-OG 3.11Å; S198-D200 VanDerWaalsContact CB-OD2 3.3Å; S198-D200 WeakPolarHBondContact CB-OD2 3.22Å; S198-D200 PolarHBondContact OG-OD2 2.82Å | ||
| 199 | I | 90.4 | Very high | 74.4 | Confident | 56 Ų | 56 | 48.7 Ų | 48.7 | 29% | 0.287 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 106.8 | 151.4 | -58.3 | 174.6 | 0 | 0 | 0 | 106.2 | F119 I120 K121 L165 | F119-I199 HydrophobicContact CB-CG2 4.37Å; I120-I199 WeakPolarHBondContact O-CA 3.18Å; K121-I199 HydrophobicContact CB-CG1 4.24Å; K121-I199 HydrophobicContact CG-CG1 4.02Å; L165-I199 HydrophobicContact CB-CB 4.39Å; L165-I199 HydrophobicContact CD1-CG2 4.04Å; L165-I199 PolarHBondContact N-O 3.1Å |
| 200 | D | 91.4 | Very high | 75.4 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 132.9 | -176.2 | -60.9 | -55.9 | 0 | 0 | 0 | 110.7 | F119 I120 T164 P193 F194 S198 F202 | F119-D200 CarbonylContact C-O 3.47Å; F119-D200 WeakPolarHBondContact CA-O 3.47Å; I120-D200 PolarHBondContact N-O 3Å; I120-D200 PolarHBondContact O-N 2.77Å; T164-D200 WeakPolarHBondContact CB-OD1 3.42Å; T164-D200 WeakPolarHBondContact CG2-OD1 3.35Å; T164-D200 PolarHBondContact OG1-OD1 2.86Å; P193-D200 WeakPolarHBondContact CA-OD1 3.49Å; P193-D200 HydrophobicContact CB-CB 4.23Å; F194-D200 WeakPolarHBondContact CA-OD2 3.34Å; F194-D200 PolarHBondContact N-OD2 3.21Å; S198-D200 VanDerWaalsContact CB-OD2 3.3Å; S198-D200 WeakPolarHBondContact CB-OD2 3.22Å; S198-D200 PolarHBondContact OG-OD2 2.82Å; D200-F202 HydrophobicContact CB-CE2 3.45Å; D200-F202 VanDerWaalsContact CB-CE2 3.45Å; D200-F202 HydrophobicContact CB-CZ 3.47Å; D200-F202 VanDerWaalsContact CB-CZ 3.47Å; D200-F202 WeakPolarHBondContact O-CD2 3.45Å; D200-F202 VanDerWaalsContact O-CE2 3.24Å; D200-F202 WeakPolarHBondContact O-CE2 3.34Å |
| 201 | Y | 89.5 | Confident | 76.4 | Confident | 21 Ų | 21 | 44.9 Ų | 44.9 | 8% | 0.082 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 133.1 | -179.7 | 176.3 | -127.7 | 0 | 0 | 0 | 111.6 | Q117 F119 I162 C163 E203 | Q117-Y201 HydrophobicContact CB-CE2 3.87Å; Q117-Y201 HydrophobicContact CG-CE2 4.07Å; Q117-Y201 WeakPolarHBondContact CG-OH 3.49Å; Q117-Y201 PolarHBondContact NE2-OH 3.28Å; F119-Y201 AromaticContact CD1-CD2 3.56Å; F119-Y201 HydrophobicContact CD1-CD2 3.56Å; F119-Y201 HydrophobicContact CD1-CE2 4.43Å; F119-Y201 HydrophobicContact CD1-CG 4.12Å; F119-Y201 HydrophobicContact CD2-CD2 4.48Å; F119-Y201 AromaticContact CE1-CD2 3.17Å; F119-Y201 HydrophobicContact CE1-CD2 3.17Å; F119-Y201 AromaticContact CE1-CE2 3.72Å; F119-Y201 HydrophobicContact CE1-CE2 3.72Å; F119-Y201 AromaticContact CE1-CG 3.74Å; F119-Y201 HydrophobicContact CE1-CG 3.74Å; F119-Y201 HydrophobicContact CE2-CD2 4.17Å; F119-Y201 HydrophobicContact CE2-CE2 4.14Å; F119-Y201 HydrophobicContact CG-CD2 4.21Å; F119-Y201 AromaticContact CZ-CD2 3.51Å; F119-Y201 HydrophobicContact CZ-CD2 3.51Å; F119-Y201 AromaticContact CZ-CE2 3.54Å; F119-Y201 HydrophobicContact CZ-CE2 3.54Å; F119-Y201 HydrophobicContact CZ-CG 4.42Å; I162-Y201 HydrophobicContact CB-CD1 3.56Å; I162-Y201 HydrophobicContact CB-CE1 3.93Å; I162-Y201 HydrophobicContact CB-CG 4.37Å; I162-Y201 HydrophobicContact CG1-CD1 3.96Å; I162-Y201 HydrophobicContact CG1-CE1 3.9Å; I162-Y201 HydrophobicContact CG2-CD1 3.7Å; I162-Y201 HydrophobicContact CG2-CE1 3.87Å; I162-Y201 PolarHBondContact N-O 2.78Å; C163-Y201 PolarHBondContact N-O 2.77Å; C163-Y201 WeakPolarHBondContact O-CB 3.39Å; C163-Y201 PolarHBondContact O-N 2.89Å; Y201-E203 HydrophobicContact CE1-CG 4.13Å; Y201-E203 HydrophobicContact CE2-CG 4.26Å; Y201-E203 VanDerWaalsContact OH-CD 3.28Å; Y201-E203 WeakPolarHBondContact OH-CG 3.41Å; Y201-E203 PolarHBondContact OH-OE1 2.92Å |
| 202 | F | 90.2 | Very high | 77.4 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 145.3 | -178.3 | -47.7 | -93.6 | 0 | 0 | 0 | 110.1 | V118 I120 L157 A160 Y161 P193 F194 D200 I204 | V118-F202 HydrophobicContact CB-CB 4.29Å; V118-F202 PolarHBondContact N-O 2.82Å; V118-F202 PolarHBondContact O-N 3.47Å; I120-F202 HydrophobicContact CB-CE2 3.99Å; I120-F202 HydrophobicContact CD1-CD2 4.13Å; I120-F202 HydrophobicContact CD1-CE2 3.76Å; I120-F202 HydrophobicContact CD1-CZ 4.45Å; I120-F202 HydrophobicContact CG1-CD2 4.13Å; I120-F202 HydrophobicContact CG1-CE2 3.82Å; L157-F202 HydrophobicContact CB-CD1 4.23Å; L157-F202 HydrophobicContact CB-CE1 3.99Å; L157-F202 HydrophobicContact CB-CZ 4.48Å; L157-F202 HydrophobicContact CD2-CD1 4.19Å; L157-F202 HydrophobicContact CD2-CD2 4.31Å; L157-F202 HydrophobicContact CD2-CG 4.11Å; L157-F202 WeakPolarHBondContact O-CD1 3.39Å; L157-F202 WeakPolarHBondContact O-CE1 3.49Å; A160-F202 HydrophobicContact CB-CB 4.06Å; A160-F202 HydrophobicContact CB-CD1 4.39Å; A160-F202 WeakPolarHBondContact O-CA 3.21Å; Y161-F202 HydrophobicContact CD2-CD1 4.33Å; Y161-F202 AromaticContact CD2-CE1 3.9Å; Y161-F202 HydrophobicContact CD2-CE1 3.9Å; Y161-F202 HydrophobicContact CD2-CZ 4.39Å; Y161-F202 HydrophobicContact CG-CE1 4.37Å; P193-F202 HydrophobicContact CB-CZ 4.4Å; F194-F202 HydrophobicContact CD1-CZ 4.47Å; F194-F202 HydrophobicContact CE1-CE1 4.15Å; F194-F202 HydrophobicContact CE1-CE2 4.4Å; F194-F202 AromaticContact CE1-CZ 3.51Å; F194-F202 HydrophobicContact CE1-CZ 3.51Å; F194-F202 AromaticContact CZ-CE1 3.89Å; F194-F202 HydrophobicContact CZ-CE1 3.89Å; F194-F202 AromaticContact CZ-CZ 3.74Å; F194-F202 HydrophobicContact CZ-CZ 3.74Å; D200-F202 HydrophobicContact CB-CE2 3.45Å; D200-F202 VanDerWaalsContact CB-CE2 3.45Å; D200-F202 HydrophobicContact CB-CZ 3.47Å; D200-F202 VanDerWaalsContact CB-CZ 3.47Å; D200-F202 WeakPolarHBondContact O-CD2 3.45Å; D200-F202 VanDerWaalsContact O-CE2 3.24Å; D200-F202 WeakPolarHBondContact O-CE2 3.34Å; F202-I204 HydrophobicContact CB-CG1 4.49Å |
| 203 | E | 82.1 | Confident | 78.1 | Confident | 81 Ų | 81 | 40.3 Ų | 40.3 | 38% | 0.379 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 123.6 | 171.1 | -75.9 | 176 | -172.7 | 0 | 0 | 109.3 | V115 A160 I162 Y201 | V115-E203 HydrophobicContact CG1-CB 3.93Å; V115-E203 HydrophobicContact CG1-CG 4.11Å; A160-E203 WeakPolarHBondContact CB-O 3.4Å; A160-E203 PolarHBondContact O-N 3.35Å; A160-E203 VanDerWaalsContact O-N 3.08Å; I162-E203 HydrophobicContact CD1-CB 4.21Å; I162-E203 HydrophobicContact CD1-CG 4.27Å; I162-E203 HydrophobicContact CG1-CB 4.22Å; I162-E203 HydrophobicContact CG1-CG 3.96Å; Y201-E203 HydrophobicContact CE1-CG 4.13Å; Y201-E203 HydrophobicContact CE2-CG 4.26Å; Y201-E203 VanDerWaalsContact OH-CD 3.28Å; Y201-E203 WeakPolarHBondContact OH-CG 3.41Å; Y201-E203 PolarHBondContact OH-OE1 2.92Å |
| 204 | I | 80.7 | Confident | 78.2 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 121.5 | -171.7 | -61 | -166.9 | 0 | 0 | 0 | 109.6 | C116 V118 I143 I155 L157 A160 F202 L206 | C116-I204 WeakPolarHBondContact CB-O 3.43Å; C116-I204 PolarHBondContact N-O 3.06Å; C116-I204 PolarHBondContact O-N 3.01Å; V118-I204 HydrophobicContact CB-CD1 4.24Å; V118-I204 HydrophobicContact CB-CG1 4.5Å; V118-I204 HydrophobicContact CG2-CB 4.25Å; V118-I204 HydrophobicContact CG2-CD1 3.78Å; V118-I204 HydrophobicContact CG2-CG1 3.97Å; I143-I204 HydrophobicContact CG2-CD1 3.56Å; I155-I204 HydrophobicContact CD1-CG2 3.46Å; I155-I204 VanDerWaalsContact CD1-CG2 3.46Å; I155-I204 HydrophobicContact CG2-CD1 4.39Å; I155-I204 HydrophobicContact CG2-CG2 4.32Å; L157-I204 HydrophobicContact CD2-CD1 4.06Å; A160-I204 HydrophobicContact CB-CG1 4Å; F202-I204 HydrophobicContact CB-CG1 4.49Å; I204-L206 PolarHBondContact O-N 3.18Å |
| 205 | P | 72.3 | Confident | 78.3 | Confident | 66 Ų | 66 | 39.8 Ų | 39.8 | 43% | 0.429 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 130.4 | 173.8 | 28.9 | -33.2 | 0 | 0 | 0 | 110.3 | ||
| 206 | L | 65.6 | Low | 78.5 | Confident | 5 Ų | 5 | 37.3 Ų | 37.3 | 3% | 0.026 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 131.1 | 167.7 | -68.8 | -176.7 | 0 | 0 | 0 | 110.2 | I114 C116 I145 T152 I204 F209 L237 | I114-L206 PolarHBondContact N-O 3.32Å; I114-L206 WeakPolarHBondContact O-CB 3.45Å; I114-L206 PolarHBondContact O-N 2.9Å; C116-L206 HydrophobicContact CB-CD1 3.62Å; C116-L206 HydrophobicContact CB-CG 3.81Å; I145-L206 HydrophobicContact CB-CD2 4.46Å; I145-L206 HydrophobicContact CD1-CD1 4.41Å; I145-L206 HydrophobicContact CD1-CD2 3.96Å; T152-L206 HydrophobicContact CG2-CD2 3.85Å; I204-L206 PolarHBondContact O-N 3.18Å; L206-F209 HydrophobicContact CB-CD2 4.24Å; L206-F209 HydrophobicContact CD2-CD2 4.09Å; L206-F209 HydrophobicContact CD2-CE2 4.27Å; L206-L237 HydrophobicContact CD1-CD2 4.24Å |
| 207 | N | 60.5 | Low | 78.8 | Confident | 104 Ų | 104 | 36.2 Ų | 36.2 | 56% | 0.556 | 19% | 0.192 | S | C | * | . | trans | -64.6 | 173.9 | 158.4 | -53.5 | 37.1 | 0 | 0 | 0 | 109.1 | F209 | N207-F209 WeakPolarHBondContact O-CD2 3.42Å; N207-F209 PolarHBondContact O-N 2.79Å | ||
| 208 | D | 56 | Low | 79.2 | Confident | 132 Ų | 132 | 36.2 Ų | 36.2 | 71% | 0.706 | 19% | 0.189 | S | C | * | . | trans | -63.4 | 90 | -174.9 | -73.3 | -62.5 | 0 | 0 | 0 | 114.9 | ||||
| 209 | F | 56.4 | Low | 79.2 | Confident | 34 Ų | 34 | 36.7 Ų | 36.7 | 15% | 0.149 | 19% | 0.191 | C | C | . | . | trans | -96.7 | 99.5 | 173 | -78.8 | -83.2 | 0 | 0 | 0 | 111.1 | N147 T152 L206 N207 E211 | N147-F209 HydrophobicContact CB-CD1 4.06Å; N147-F209 HydrophobicContact CB-CE1 4.29Å; N147-F209 WeakPolarHBondContact ND2-CE1 3.45Å; T152-F209 HydrophobicContact CG2-CD2 4.44Å; T152-F209 HydrophobicContact CG2-CE2 3.46Å; T152-F209 VanDerWaalsContact CG2-CE2 3.46Å; T152-F209 HydrophobicContact CG2-CZ 3.5Å; L206-F209 HydrophobicContact CB-CD2 4.24Å; L206-F209 HydrophobicContact CD2-CD2 4.09Å; L206-F209 HydrophobicContact CD2-CE2 4.27Å; N207-F209 WeakPolarHBondContact O-CD2 3.42Å; N207-F209 PolarHBondContact O-N 2.79Å; F209-E211 VanDerWaalsContact C-N 3.35Å | ||
| 210 | M | 53.2 | Low | 78.9 | Confident | 166 Ų | 166 | 37.6 Ų | 37.6 | 82% | 0.818 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -71.1 | -25.2 | 175.5 | -63.7 | -174.8 | 73.2 | 0 | 0 | 114.2 | ||
| 211 | E | 68.9 | Low | 78.5 | Confident | 27 Ų | 27 | 38.5 Ų | 38.5 | 13% | 0.126 | 21% | 0.206 | C | C | . | . | trans | -140.4 | 149.9 | 174.5 | 48.8 | 151.2 | -126.1 | 0 | 0 | 110.7 | N147 R148 F209 | N147-E211 HydrophobicContact CB-CG 4.22Å; N147-E211 WeakPolarHBondContact CB-O 3.09Å; R148-E211 WeakPolarHBondContact CB-OE1 3.37Å; R148-E211 IonicContact CZ-OE2 3.44Å; R148-E211 PolarHBondContact N-OE1 2.96Å; R148-E211 IonicContact NE-OE1 2.71Å; R148-E211 IonicContact NE-OE2 3.39Å; R148-E211 IonicContact NH2-OE2 3.33Å; R148-E211 PolarHBondContact NH2-OE2 3.34Å; F209-E211 VanDerWaalsContact C-N 3.35Å | ||
| 212 | I | 77 | Confident | 78.1 | Confident | 10 Ų | 10 | 39.7 Ų | 39.7 | 5% | 0.051 | 22% | 0.217 | C | C | . | . | trans | -116.9 | 122 | 168.7 | -60.7 | 174.1 | 0 | 0 | 0 | 107.2 | I145 C146 L235 L237 I276 F278 A299 | I145-I212 HydrophobicContact CG2-CD1 4.02Å; I145-I212 HydrophobicContact CG2-CG1 3.98Å; I145-I212 HydrophobicContact CG2-CG2 4.05Å; C146-I212 CarbonylContact O-C 3.49Å; I212-L235 HydrophobicContact CD1-CD1 4.03Å; I212-L237 HydrophobicContact CD1-CD1 4.48Å; I212-I276 HydrophobicContact CD1-CD1 4.37Å; I212-F278 HydrophobicContact CG2-CZ 4.09Å; I212-A299 VanDerWaalsContact O-CB 3.24Å; I212-A299 WeakPolarHBondContact O-CB 3.39Å | ||
| 213 | S | 80.3 | Confident | 77.5 | Confident | 23 Ų | 23 | 42.4 Ų | 42.4 | 16% | 0.161 | 25% | 0.245 | C | C | . | . | trans | -94.7 | -35.7 | 179.7 | 74.1 | 0 | 0 | 0 | 0 | 112.2 | C146 N147 A299 | C146-S213 PolarHBondContact O-N 3.34Å; C146-S213 PolarHBondContact O-OG 3.42Å; N147-S213 PolarHBondContact O-OG 3.2Å; S213-A299 PolarHBondContact O-N 3.15Å | ||
| 214 | K | 88.8 | Confident | 77.4 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.009 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.1 | 163.9 | 178.1 | 62.4 | -174.7 | 179.8 | -178.1 | 0 | 111.4 | C146 E296 I297 D367 V397 | C146-K214 HydrophobicContact CB-CG 3.66Å; C146-K214 WeakPolarHBondContact CB-O 3.1Å; C146-K214 PolarHBondContact N-O 2.86Å; C146-K214 PolarHBondContact O-N 2.7Å; K214-E296 IonicContact NZ-OE1 2.74Å; K214-E296 IonicContact NZ-OE2 3.38Å; K214-E296 PolarHBondContact NZ-OE2 3.08Å; K214-I297 CarbonylContact C-O 3.56Å; K214-I297 WeakPolarHBondContact CA-O 3.44Å; K214-I297 VanDerWaalsContact CB-O 3.24Å; K214-I297 WeakPolarHBondContact CB-O 3.48Å; K214-D367 PolarHBondContact NZ-O 3.31Å; K214-V397 HydrophobicContact CB-CG2 4.26Å; K214-V397 HydrophobicContact CD-CB 3.76Å; K214-V397 HydrophobicContact CD-CG1 4.26Å; K214-V397 HydrophobicContact CD-CG2 3.85Å |
| 215 | I | 91.4 | Very high | 77.6 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 153.3 | 157.8 | 68.1 | 174.8 | 0 | 0 | 0 | 110.6 | T144 I145 I233 L235 F278 E296 I297 | T144-I215 WeakPolarHBondContact O-CA 3.35Å; I145-I215 HydrophobicContact CG1-CG2 4.03Å; I215-I233 HydrophobicContact CD1-CB 3.87Å; I215-I233 HydrophobicContact CD1-CD1 4.22Å; I215-I233 HydrophobicContact CD1-CG1 4.1Å; I215-I233 HydrophobicContact CD1-CG2 3.97Å; I215-L235 HydrophobicContact CG2-CD1 3.95Å; I215-F278 HydrophobicContact CB-CD1 4.46Å; I215-F278 HydrophobicContact CD1-CB 3.55Å; I215-F278 HydrophobicContact CD1-CD1 4.08Å; I215-F278 HydrophobicContact CD1-CD2 4.09Å; I215-F278 HydrophobicContact CD1-CG 3.66Å; I215-F278 HydrophobicContact CG1-CB 4.06Å; I215-F278 HydrophobicContact CG1-CD1 3.73Å; I215-F278 HydrophobicContact CG1-CE1 4.27Å; I215-F278 HydrophobicContact CG1-CG 3.87Å; I215-F278 HydrophobicContact CG2-CD1 4.19Å; I215-F278 HydrophobicContact CG2-CD2 4.32Å; I215-F278 HydrophobicContact CG2-CE1 3.93Å; I215-F278 HydrophobicContact CG2-CE2 4.1Å; I215-F278 HydrophobicContact CG2-CG 4.37Å; I215-F278 HydrophobicContact CG2-CZ 3.89Å; I215-E296 WeakPolarHBondContact O-CA 3.27Å; I215-I297 HydrophobicContact CD1-CD1 4.25Å; I215-I297 HydrophobicContact CG1-CB 4.17Å; I215-I297 HydrophobicContact CG1-CD1 4.29Å; I215-I297 PolarHBondContact N-O 3.26Å; I215-I297 PolarHBondContact O-N 2.88Å |
| 216 | R | 92.4 | Very high | 78.3 | Confident | 15 Ų | 15 | 47.4 Ų | 47.4 | 6% | 0.057 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 136.6 | 166.9 | -177.8 | -178.8 | -63.1 | 123.3 | 2.5 | 107.7 | I143 T144 S151 V294 R295 E296 D367 T368 | I143-R216 CarbonylContact C-O 3.59Å; I143-R216 WeakPolarHBondContact CA-O 3.39Å; T144-R216 PolarHBondContact N-O 3.1Å; T144-R216 PolarHBondContact O-N 2.75Å; S151-R216 PolarHBondContact OG-NH1 3.4Å; R216-V294 HydrophobicContact CG-CG1 3.61Å; R216-R295 WeakPolarHBondContact CA-O 3.47Å; R216-E296 HydrophobicContact CB-CG 4.12Å; R216-E296 HydrophobicContact CG-CG 3.98Å; R216-E296 IonicContact CZ-OE1 3.46Å; R216-E296 IonicContact NE-OE1 2.68Å; R216-E296 PolarHBondContact NE-OE1 3.17Å; R216-E296 IonicContact NH2-OE1 3.83Å; R216-E296 PolarHBondContact NH2-OE1 2.87Å; R216-D367 IonicContact CZ-OD1 3.51Å; R216-D367 IonicContact NH1-OD1 3.4Å; R216-D367 PolarHBondContact NH1-OD1 3.35Å; R216-D367 PolarHBondContact NH2-O 2.88Å; R216-D367 IonicContact NH2-OD1 2.73Å; R216-D367 PolarHBondContact NH2-OD1 2.89Å; R216-T368 PolarHBondContact NE-O 2.89Å; R216-T368 PolarHBondContact NH2-O 3.26Å |
| 217 | I | 94 | Very high | 79.4 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 132.8 | -178.5 | -168.2 | 169.6 | 0 | 0 | 0 | 109.2 | T142 W228 P230 I233 L284 V294 R295 | T142-I217 WeakPolarHBondContact O-CA 3.11Å; I217-W228 HydrophobicContact CD1-CH2 3.62Å; I217-W228 HydrophobicContact CD1-CZ3 3.73Å; I217-W228 HydrophobicContact CG1-CH2 4.22Å; I217-W228 HydrophobicContact CG1-CZ3 3.86Å; I217-P230 HydrophobicContact CD1-CB 4.37Å; I217-I233 HydrophobicContact CD1-CD1 3.98Å; I217-I233 HydrophobicContact CD1-CG1 4.08Å; I217-L284 HydrophobicContact CG1-CD1 4.32Å; I217-L284 HydrophobicContact CG2-CD1 4.42Å; I217-V294 CarbonylContact O-C 3.57Å; I217-V294 WeakPolarHBondContact O-CA 3.43Å; I217-R295 HydrophobicContact CG2-CB 3.86Å; I217-R295 PolarHBondContact N-O 3.38Å; I217-R295 PolarHBondContact O-N 3.15Å |
| 218 | S | 92.9 | Very high | 80.9 | Confident | 18 Ų | 18 | 43.7 Ų | 43.7 | 13% | 0.126 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 169.9 | -166.5 | 42.5 | 0 | 0 | 0 | 0 | 113 | P141 T142 L293 | P141-S218 CarbonylContact C-O 3.59Å; P141-S218 WeakPolarHBondContact CA-O 3.32Å; T142-S218 PolarHBondContact N-O 2.87Å; T142-S218 PolarHBondContact O-N 2.71Å; T142-S218 PolarHBondContact OG1-O 2.83Å; T142-S218 VanDerWaalsContact OG1-O 3.05Å; T142-S218 PolarHBondContact OG1-OG 3.24Å; S218-L293 WeakPolarHBondContact CA-O 3.48Å; S218-L293 VanDerWaalsContact CB-O 3.32Å; S218-L293 WeakPolarHBondContact CB-O 3.31Å |
| 219 | H | 89.9 | Confident | 82.7 | Confident | 11 Ų | 11 | 37.4 Ų | 37.4 | 5% | 0.051 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 161.8 | 161.5 | 60.9 | 74.2 | 0 | 0 | 0 | 112.3 | A139 N140 G221 P226 L284 L293 | A139-H219 HydrophobicContact CB-CB 3.94Å; N140-H219 WeakPolarHBondContact O-CA 3.36Å; N140-H219 WeakPolarHBondContact O-CB 2.92Å; H219-G221 VanDerWaalsContact C-N 3.29Å; H219-G221 VanDerWaalsContact ND1-CA 3.33Å; H219-G221 WeakPolarHBondContact ND1-CA 3.21Å; H219-G221 PolarHBondContact ND1-N 2.82Å; H219-G221 PolarHBondContact O-N 2.81Å; H219-P226 PolarHBondContact CE1-O 2.94Å; H219-P226 VanDerWaalsContact CE1-O 3.23Å; H219-L284 WeakPolarHBondContact NE2-CB 3.17Å; H219-L284 PolarHBondContact NE2-O 2.85Å; H219-L293 VanDerWaalsContact CE1-CD2 3.46Å; H219-L293 WeakPolarHBondContact CE1-CD2 3.39Å; H219-L293 PolarHBondContact N-O 2.79Å |
| 220 | D | 84.4 | Confident | 84.5 | Confident | 74 Ų | 74 | 35.8 Ų | 35.8 | 40% | 0.396 | 21% | 0.205 | S | C | . | . | trans | -60.6 | -34.9 | 175.6 | 59.1 | -3.2 | 0 | 0 | 0 | 113.6 | A139 N140 S222 | A139-D220 WeakPolarHBondContact CB-OD1 3.28Å; N140-D220 PolarHBondContact N-OD1 3.01Å; N140-D220 PolarHBondContact ND2-OD2 3.26Å; D220-S222 PolarHBondContact OD1-N 2.77Å; D220-S222 PolarHBondContact OD1-OG 2.93Å; D220-S222 VanDerWaalsContact OD1-OG 3.13Å; D220-S222 VanDerWaalsContact OD2-CB 3.27Å; D220-S222 WeakPolarHBondContact OD2-CB 3.42Å; D220-S222 PolarHBondContact OD2-OG 2.79Å | ||
| 221 | G | 81.8 | Confident | 86.3 | Confident | 19 Ų | 19 | 30 Ų | 30 | 20% | 0.196 | 18% | 0.176 | C | C | . | . | trans | 88.1 | 27.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | H219 P226 | H219-G221 VanDerWaalsContact C-N 3.29Å; H219-G221 VanDerWaalsContact ND1-CA 3.33Å; H219-G221 WeakPolarHBondContact ND1-CA 3.21Å; H219-G221 PolarHBondContact ND1-N 2.82Å; H219-G221 PolarHBondContact O-N 2.81Å; G221-P226 WeakPolarHBondContact O-CB 3.48Å | ||
| 222 | S | 81 | Confident | 87.4 | Confident | 47 Ų | 47 | 30.7 Ų | 30.7 | 33% | 0.329 | 18% | 0.18 | S | C | . | . | trans | -89.7 | 167.6 | -179.3 | 68.6 | 0 | 0 | 0 | 0 | 114.3 | T138 A139 D220 | T138-S222 CarbonylContact C-O 3.47Å; T138-S222 PolarHBondContact OG1-O 2.89Å; A139-S222 WeakPolarHBondContact CA-O 3.42Å; A139-S222 PolarHBondContact N-O 3.18Å; D220-S222 PolarHBondContact OD1-N 2.77Å; D220-S222 PolarHBondContact OD1-OG 2.93Å; D220-S222 VanDerWaalsContact OD1-OG 3.13Å; D220-S222 VanDerWaalsContact OD2-CB 3.27Å; D220-S222 WeakPolarHBondContact OD2-CB 3.42Å; D220-S222 PolarHBondContact OD2-OG 2.79Å | ||
| 223 | G | 77.4 | Confident | 88.2 | Confident | 56 Ų | 56 | 30.2 Ų | 30.2 | 58% | 0.577 | 18% | 0.177 | S | C | * | . | S | Bend | trans | 79.8 | -175 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | T138 | T138-G223 VanDerWaalsContact OG1-C 3.23Å; T138-G223 WeakPolarHBondContact OG1-CA 3.34Å |
| 224 | T | 81.1 | Confident | 88.6 | Confident | 110 Ų | 110 | 31.6 Ų | 31.6 | 68% | 0.675 | 18% | 0.179 | S | C | * | . | S | Bend | trans | -84.7 | -20 | -170.7 | 55.9 | 0 | 0 | 0 | 0 | 114.8 | T138 | T138-T224 PolarHBondContact OG1-N 3.05Å; T138-T224 VanDerWaalsContact OG1-N 3.14Å |
| 225 | Y | 84 | Confident | 88.5 | Confident | 128 Ų | 128 | 31.5 Ų | 31.5 | 50% | 0.502 | 18% | 0.179 | S | C | . | . | trans | -131.6 | 69.7 | 176.3 | -52.1 | -71.4 | 0 | 0 | 0 | 109.5 | T138 E227 | T138-Y225 HydrophobicContact CG2-CD2 3.96Å; T138-Y225 HydrophobicContact CG2-CG 4.48Å; T138-Y225 PolarHBondContact N-O 2.88Å; T138-Y225 PolarHBondContact OG1-N 3.02Å; T138-Y225 PolarHBondContact OG1-O 2.81Å; Y225-E227 PolarHBondContact O-N 2.68Å | ||
| 226 | P | 86.3 | Confident | 87.9 | Confident | 14 Ų | 14 | 34 Ų | 34 | 9% | 0.091 | 19% | 0.188 | C | C | . | . | trans | -78.1 | 44.2 | -177.9 | 36.1 | -38.4 | 0 | 0 | 0 | 111.8 | A139 H219 G221 F287 | A139-P226 HydrophobicContact CB-CB 4.29Å; H219-P226 PolarHBondContact CE1-O 2.94Å; H219-P226 VanDerWaalsContact CE1-O 3.23Å; G221-P226 WeakPolarHBondContact O-CB 3.48Å; P226-F287 HydrophobicContact CG-CE2 4.36Å | ||
| 227 | E | 89.3 | Confident | 86.8 | Confident | 32 Ų | 32 | 34.2 Ų | 34.2 | 15% | 0.15 | 19% | 0.19 | C | C | . | . | trans | -117.5 | 134.5 | -175.8 | -57 | -178.4 | 170.9 | 0 | 0 | 109.2 | Y133 C137 Y225 W283 K288 | Y133-E227 HydrophobicContact CE2-CB 4.42Å; Y133-E227 VanDerWaalsContact CE2-O 3.25Å; Y133-E227 WeakPolarHBondContact CE2-O 3.43Å; Y133-E227 PolarHBondContact OH-O 3.44Å; C137-E227 WeakPolarHBondContact CA-O 3.49Å; C137-E227 WeakPolarHBondContact CB-O 3.5Å; Y225-E227 PolarHBondContact O-N 2.68Å; E227-W283 HydrophobicContact CB-CZ3 4.4Å; E227-K288 WeakPolarHBondContact OE1-CE 3.4Å; E227-K288 IonicContact OE1-NZ 3.42Å; E227-K288 VanDerWaalsContact OE2-CE 3.22Å; E227-K288 WeakPolarHBondContact OE2-CE 3.45Å; E227-K288 IonicContact OE2-NZ 3.78Å; E227-K288 PolarHBondContact OE2-NZ 3.43Å | ||
| 228 | W | 93.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | B | Isolated β-bridge | trans | -147.4 | 138.5 | 173.1 | -171.2 | 30.7 | 0 | 0 | 0 | 111.3 | I120 S122 Y133 C137 P141 L157 F194 I217 P230 L284 | I120-W228 HydrophobicContact CD1-CH2 4.18Å; I120-W228 HydrophobicContact CG2-CH2 4.24Å; I120-W228 HydrophobicContact CG2-CZ2 3.71Å; S122-W228 PolarHBondContact OG-NE1 3.01Å; S122-W228 VanDerWaalsContact OG-NE1 3.16Å; Y133-W228 AromaticContact CE1-CD1 3.91Å; Y133-W228 AromaticContact CZ-CD1 3.9Å; C137-W228 HydrophobicContact CB-CB 4.03Å; C137-W228 HydrophobicContact CB-CG 4.25Å; P141-W228 HydrophobicContact CB-CE3 4.13Å; P141-W228 HydrophobicContact CB-CH2 3.99Å; P141-W228 HydrophobicContact CB-CZ3 3.61Å; P141-W228 HydrophobicContact CG-CD2 4.49Å; P141-W228 HydrophobicContact CG-CE3 3.95Å; P141-W228 HydrophobicContact CG-CH2 4.42Å; P141-W228 HydrophobicContact CG-CZ3 3.94Å; L157-W228 HydrophobicContact CD1-CH2 3.89Å; L157-W228 HydrophobicContact CD1-CZ3 4.39Å; F194-W228 AromaticContact CD1-CE2 3.61Å; F194-W228 HydrophobicContact CD1-CH2 4.05Å; F194-W228 AromaticContact CD1-CZ2 3.33Å; F194-W228 HydrophobicContact CD1-CZ2 3.33Å; F194-W228 AromaticContact CD1-NE1 3.83Å; F194-W228 AromaticContact CE1-CH2 3.89Å; F194-W228 HydrophobicContact CE1-CH2 3.89Å; F194-W228 AromaticContact CE1-CZ2 3.6Å; F194-W228 HydrophobicContact CE1-CZ2 3.6Å; F194-W228 HydrophobicContact CG-CZ2 4.35Å; I217-W228 HydrophobicContact CD1-CH2 3.62Å; I217-W228 HydrophobicContact CD1-CZ3 3.73Å; I217-W228 HydrophobicContact CG1-CH2 4.22Å; I217-W228 HydrophobicContact CG1-CZ3 3.86Å; W228-P230 HydrophobicContact CD2-CB 4.49Å; W228-P230 HydrophobicContact CD2-CG 4.42Å; W228-P230 HydrophobicContact CZ2-CB 4.24Å; W228-P230 WeakPolarHBondContact O-CD 3.4Å; W228-L284 HydrophobicContact CB-CB 4.49Å; W228-L284 HydrophobicContact CD2-CD1 4.44Å; W228-L284 HydrophobicContact CE3-CD1 3.53Å; W228-L284 HydrophobicContact CZ3-CD1 3.93Å; W228-L284 PolarHBondContact N-O 3.17Å; W228-L284 PolarHBondContact O-N 2.79Å |
| 229 | L | 93.7 | Very high | 82.8 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -117.1 | 82 | 172.8 | -177.1 | 60.8 | 0 | 0 | 0 | 109 | G123 D126 Y133 E231 W283 | G123-L229 PolarHBondContact N-O 2.95Å; D126-L229 HydrophobicContact CB-CD2 4.31Å; Y133-L229 HydrophobicContact CD1-CB 4.26Å; Y133-L229 HydrophobicContact CG-CB 4.23Å; L229-E231 PolarHBondContact O-N 2.87Å; L229-W283 HydrophobicContact CB-CD2 4.38Å; L229-W283 HydrophobicContact CB-CE3 3.97Å; L229-W283 HydrophobicContact CB-CH2 4.15Å; L229-W283 HydrophobicContact CB-CZ3 3.86Å; L229-W283 HydrophobicContact CD1-CD2 4.28Å; L229-W283 HydrophobicContact CD1-CG 4.42Å; L229-W283 HydrophobicContact CD2-CH2 4.39Å; L229-W283 HydrophobicContact CD2-CZ2 4.19Å | ||
| 230 | P | 93.1 | Very high | 80.2 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 125 | 168 | 27.4 | -33.8 | 0 | 0 | 0 | 109.4 | I217 W228 I233 C280 M281 L284 | I217-P230 HydrophobicContact CD1-CB 4.37Å; W228-P230 HydrophobicContact CD2-CB 4.49Å; W228-P230 HydrophobicContact CD2-CG 4.42Å; W228-P230 HydrophobicContact CZ2-CB 4.24Å; W228-P230 WeakPolarHBondContact O-CD 3.4Å; P230-I233 HydrophobicContact CB-CD1 4.43Å; P230-C280 HydrophobicContact CB-CB 4.27Å; P230-C280 HydrophobicContact CG-CB 4.24Å; P230-C280 WeakPolarHBondContact O-CB 3.41Å; P230-M281 PolarHBondContact O-N 2.98Å; P230-L284 HydrophobicContact CG-CD1 3.88Å; P230-L284 HydrophobicContact CG-CG 4.38Å |
| 231 | E | 91.8 | Very high | 77.6 | Confident | 43 Ų | 43 | 49.4 Ų | 49.4 | 20% | 0.201 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | -60.1 | 177.2 | 170 | 168.9 | 177.6 | 0 | 0 | 110 | K121 L229 C280 M281 | K121-E231 HydrophobicContact CB-CB 4.37Å; K121-E231 HydrophobicContact CD-CB 4.43Å; K121-E231 HydrophobicContact CD-CG 4.04Å; K121-E231 WeakPolarHBondContact CD-OE2 3.36Å; K121-E231 VanDerWaalsContact CE-CD 3.42Å; K121-E231 WeakPolarHBondContact CE-OE1 3.16Å; K121-E231 WeakPolarHBondContact CE-OE2 3.46Å; K121-E231 HydrophobicContact CG-CB 4.21Å; K121-E231 HydrophobicContact CG-CG 4.37Å; K121-E231 IonicContact NZ-OE1 2.74Å; K121-E231 PolarHBondContact NZ-OE1 2.83Å; K121-E231 IonicContact NZ-OE2 3.13Å; K121-E231 PolarHBondContact NZ-OE2 2.86Å; K121-E231 VanDerWaalsContact NZ-OE2 3.15Å; K121-E231 PolarHBondContact O-N 2.92Å; L229-E231 PolarHBondContact O-N 2.87Å; E231-C280 PolarHBondContact O-N 2.72Å; E231-M281 HydrophobicContact CB-CE 4.45Å; E231-M281 HydrophobicContact CB-CG 4.43Å; E231-M281 HydrophobicContact CB-SD 3.94Å; E231-M281 HydrophobicContact CG-CE 3.79Å; E231-M281 HydrophobicContact CG-CG 4.03Å; E231-M281 HydrophobicContact CG-SD 3.81Å; E231-M281 PolarHBondContact O-N 3.34Å; E231-M281 VanDerWaalsContact O-N 3.12Å |
| 232 | E | 91.3 | Very high | 75 | Confident | 43 Ų | 43 | 52.2 Ų | 52.2 | 20% | 0.201 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 145 | -178.1 | -172.8 | 162.7 | -145.8 | 0 | 0 | 111 | K121 Y234 S277 | K121-E232 PolarHBondContact N-O 2.76Å; K121-E232 PolarHBondContact O-N 2.82Å; E232-Y234 HydrophobicContact CB-CE2 4.45Å; E232-Y234 HydrophobicContact CG-CD1 4.3Å; E232-Y234 HydrophobicContact CG-CE1 3.66Å; E232-Y234 HydrophobicContact CG-CE2 4.26Å; E232-Y234 VanDerWaalsContact OE2-CE1 3.31Å; E232-Y234 WeakPolarHBondContact OE2-CE1 3.43Å; E232-Y234 VanDerWaalsContact OE2-CZ 3.23Å; E232-Y234 PolarHBondContact OE2-OH 3.1Å; E232-S277 WeakPolarHBondContact OE1-CB 3.15Å; E232-S277 PolarHBondContact OE1-OG 3.16Å |
| 233 | I | 93.1 | Very high | 72.4 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 131.4 | 175.3 | -58.3 | 83.2 | 0 | 0 | 0 | 108.4 | V118 F119 I120 I143 I215 I217 P230 L235 S277 F278 C280 I297 | V118-I233 HydrophobicContact CG1-CG2 4Å; F119-I233 CarbonylContact O-C 3.52Å; F119-I233 WeakPolarHBondContact O-CA 3.33Å; I120-I233 HydrophobicContact CB-CG1 4.5Å; I120-I233 HydrophobicContact CD1-CG1 4.49Å; I120-I233 HydrophobicContact CG1-CG1 4.02Å; I120-I233 HydrophobicContact CG1-CG2 4.13Å; I120-I233 HydrophobicContact CG2-CG1 4.07Å; I143-I233 HydrophobicContact CD1-CG2 4.44Å; I215-I233 HydrophobicContact CD1-CB 3.87Å; I215-I233 HydrophobicContact CD1-CD1 4.22Å; I215-I233 HydrophobicContact CD1-CG1 4.1Å; I215-I233 HydrophobicContact CD1-CG2 3.97Å; I217-I233 HydrophobicContact CD1-CD1 3.98Å; I217-I233 HydrophobicContact CD1-CG1 4.08Å; P230-I233 HydrophobicContact CB-CD1 4.43Å; I233-L235 HydrophobicContact CG2-CD2 4.2Å; I233-S277 CarbonylContact O-C 3.59Å; I233-F278 HydrophobicContact CB-CB 4.29Å; I233-F278 PolarHBondContact N-O 2.65Å; I233-F278 PolarHBondContact O-N 3.31Å; I233-C280 HydrophobicContact CD1-CB 4.09Å; I233-I297 HydrophobicContact CD1-CD1 4.14Å |
| 234 | Y | 88.9 | Confident | 70 | Confident | 52 Ų | 52 | 60.1 Ų | 60.1 | 20% | 0.204 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 128.4 | 173.7 | -43.8 | -86.4 | 0 | 0 | 0 | 109.6 | V118 F119 E232 I276 | V118-Y234 WeakPolarHBondContact CA-O 3.44Å; F119-Y234 HydrophobicContact CB-CD2 4.01Å; F119-Y234 PolarHBondContact N-O 2.77Å; F119-Y234 PolarHBondContact O-N 2.91Å; E232-Y234 HydrophobicContact CB-CE2 4.45Å; E232-Y234 HydrophobicContact CG-CD1 4.3Å; E232-Y234 HydrophobicContact CG-CE1 3.66Å; E232-Y234 HydrophobicContact CG-CE2 4.26Å; E232-Y234 VanDerWaalsContact OE2-CE1 3.31Å; E232-Y234 WeakPolarHBondContact OE2-CE1 3.43Å; E232-Y234 VanDerWaalsContact OE2-CZ 3.23Å; E232-Y234 PolarHBondContact OE2-OH 3.1Å; Y234-I276 WeakPolarHBondContact CA-O 3.4Å |
| 235 | L | 86.8 | Confident | 67.4 | Low | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 118.2 | 171.5 | -55.5 | -175 | 0 | 0 | 0 | 109.1 | V118 I145 I212 I215 I233 E275 I276 F278 | V118-L235 HydrophobicContact CB-CD2 4.23Å; V118-L235 HydrophobicContact CG1-CD2 3.91Å; V118-L235 HydrophobicContact CG2-CD2 3.55Å; I145-L235 HydrophobicContact CD1-CD1 4.05Å; I145-L235 HydrophobicContact CD1-CD2 4.23Å; I145-L235 HydrophobicContact CG1-CD1 4.26Å; I212-L235 HydrophobicContact CD1-CD1 4.03Å; I215-L235 HydrophobicContact CG2-CD1 3.95Å; I233-L235 HydrophobicContact CG2-CD2 4.2Å; L235-E275 CarbonylContact O-C 3.55Å; L235-E275 WeakPolarHBondContact O-CA 3.14Å; L235-I276 PolarHBondContact N-O 3.34Å; L235-I276 PolarHBondContact O-N 3.37Å; L235-F278 HydrophobicContact CB-CE2 4.44Å; L235-F278 HydrophobicContact CD1-CD2 4.36Å; L235-F278 HydrophobicContact CD1-CE2 3.57Å; L235-F278 HydrophobicContact CD1-CZ 4.14Å; L235-F278 HydrophobicContact CG-CD2 4.16Å; L235-F278 HydrophobicContact CG-CE2 3.75Å |
| 236 | R | 79.5 | Confident | 64.7 | Low | 53 Ų | 53 | 61.4 Ų | 61.4 | 20% | 0.2 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 126.7 | 174.3 | -173.9 | -171.7 | -62.8 | 150.8 | -2.1 | 110.9 | Q117 F119 Y274 E275 | Q117-R236 HydrophobicContact CB-CB 4.08Å; Q117-R236 PolarHBondContact N-O 2.89Å; Q117-R236 PolarHBondContact O-N 3.19Å; F119-R236 HydrophobicContact CE2-CB 4.34Å; R236-Y274 CarbonylContact C-O 3.55Å; R236-Y274 VanDerWaalsContact CA-O 3.27Å; R236-Y274 WeakPolarHBondContact CA-O 3.46Å; R236-E275 HydrophobicContact CB-CB 4.46Å; R236-E275 HydrophobicContact CB-CG 4.3Å; R236-E275 HydrophobicContact CG-CB 4.49Å; R236-E275 IonicContact CZ-OE2 2.79Å; R236-E275 IonicContact NE-OE2 3.71Å; R236-E275 PolarHBondContact NE-OE2 3.05Å; R236-E275 IonicContact NH2-OE1 2.95Å; R236-E275 IonicContact NH2-OE2 2.7Å; R236-E275 PolarHBondContact NH2-OE2 3.28Å |
| 237 | L | 68.4 | Low | 61.8 | Low | 18 Ų | 18 | 67.5 Ų | 67.5 | 9% | 0.094 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 135.5 | -177.1 | -62.4 | 173.2 | 0 | 0 | 0 | 111 | I114 C116 L206 I212 Y274 I322 | I114-L237 HydrophobicContact CG2-CD2 4.43Å; C116-L237 HydrophobicContact CB-CD2 4.23Å; L206-L237 HydrophobicContact CD1-CD2 4.24Å; I212-L237 HydrophobicContact CD1-CD1 4.48Å; L237-Y274 PolarHBondContact N-O 3.42Å; L237-Y274 PolarHBondContact O-N 3.49Å; L237-I322 HydrophobicContact CD1-CD1 4.31Å |
| 238 | T | 54.9 | Low | 58.9 | Low | 57 Ų | 57 | 71.5 Ų | 71.5 | 35% | 0.35 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 103.7 | -178.4 | 40.9 | 0 | 0 | 0 | 0 | 110.9 | N240 T273 | T238-N240 PolarHBondContact O-N 3.1Å; T238-T273 HydrophobicContact CG2-CG2 4.27Å |
| 239 | Q | 48.2 | Very low | 55.8 | Low | 78 Ų | 78 | 79 Ų | 79 | 36% | 0.364 | 44% | 0.437 | S | S | . | . | trans | -87.9 | 109 | 177.2 | -74.2 | -173.6 | -16.6 | 0 | 0 | 112 | L241 I271 | Q239-L241 VanDerWaalsContact C-N 3.31Å; Q239-L241 PolarHBondContact O-N 2.95Å; Q239-L241 VanDerWaalsContact O-N 3.12Å; Q239-I271 WeakPolarHBondContact O-CG2 3.41Å | ||
| 240 | N | 35.4 | Very low | 52.5 | Low | 145 Ų | 145 | 88.7 Ų | 88.7 | 78% | 0.775 | 48% | 0.479 | S | S | * | . | trans | -78 | 81.3 | 160.1 | -80.7 | -31 | 0 | 0 | 0 | 109.2 | T238 P242 | T238-N240 PolarHBondContact O-N 3.1Å; N240-P242 VanDerWaalsContact O-CD 3.22Å; N240-P242 WeakPolarHBondContact O-CD 3Å | ||
| 241 | L | 29.7 | Very low | 49.4 | Very low | 142 Ų | 142 | 97 Ų | 97 | 74% | 0.743 | 52% | 0.516 | S | S | * | . | trans | -73.1 | 115.9 | -173.7 | -168.4 | 75.6 | 0 | 0 | 0 | 112.4 | Q239 | Q239-L241 VanDerWaalsContact C-N 3.31Å; Q239-L241 PolarHBondContact O-N 2.95Å; Q239-L241 VanDerWaalsContact O-N 3.12Å | ||
| 242 | P | 27.3 | Very low | 46.4 | Very low | 78 Ų | 78 | 102.4 Ų | 102.4 | 51% | 0.506 | 55% | 0.546 | S | S | . | . | trans | -77.1 | 137.2 | 168.7 | -7 | 26.6 | 0 | 0 | 0 | 109.5 | L109 N240 M244 | L109-P242 HydrophobicContact CD1-CB 4.13Å; L109-P242 HydrophobicContact CD1-CG 4.1Å; N240-P242 VanDerWaalsContact O-CD 3.22Å; N240-P242 WeakPolarHBondContact O-CD 3Å; P242-M244 PolarHBondContact O-N 2.9Å | ||
| 243 | S | 26.7 | Very low | 43.2 | Very low | 125 Ų | 125 | 105.8 Ų | 105.8 | 87% | 0.874 | 57% | 0.57 | S | S | * | * | trans | -72.1 | 101.4 | -176.7 | 57.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 244 | M | 26.5 | Very low | 40.2 | Very low | 144 Ų | 144 | 116.8 Ų | 116.8 | 71% | 0.709 | 61% | 0.611 | S | S | * | * | trans | -127.8 | 138.2 | 167.5 | -73 | -159.1 | 75.2 | 0 | 0 | 112 | P242 | P242-M244 PolarHBondContact O-N 2.9Š| ||
| 245 | T | 26.8 | Very low | 37.4 | Very low | 133 Ų | 133 | 120.9 Ų | 120.9 | 82% | 0.816 | 64% | 0.637 | S | S | * | * | trans | -80.1 | 118.5 | -176.3 | 46.8 | 0 | 0 | 0 | 0 | 111.9 | N247 | T245-N247 PolarHBondContact O-N 2.96Š| ||
| 246 | V | 28.6 | Very low | 34.9 | Very low | 133 Ų | 133 | 125.2 Ų | 125.2 | 81% | 0.806 | 67% | 0.667 | S | S | * | * | trans | -75.2 | 113.3 | 175.5 | -179.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 247 | N | 25.3 | Very low | 32.6 | Very low | 142 Ų | 142 | 125.9 Ų | 125.9 | 76% | 0.759 | 68% | 0.68 | S | S | * | * | trans | -75 | 121.8 | 165.4 | -86.9 | -28.2 | 0 | 0 | 0 | 109.8 | T245 L249 | T245-N247 PolarHBondContact O-N 2.96Å; N247-L249 PolarHBondContact O-N 3.49Å | ||
| 248 | P | 28.6 | Very low | 30.8 | Very low | 116 Ų | 116 | 132.9 Ų | 132.9 | 75% | 0.753 | 71% | 0.706 | S | S | * | * | trans | -79.7 | 92.5 | -172.3 | 30.9 | -35.3 | 0 | 0 | 0 | 112.5 | K250 | P248-K250 VanDerWaalsContact C-N 3.33Å; P248-K250 PolarHBondContact O-N 3.43Å | ||
| 249 | L | 26.3 | Very low | 29.7 | Very low | 157 Ų | 157 | 136.1 Ų | 136.1 | 82% | 0.822 | 72% | 0.72 | S | S | * | * | trans | -72 | 83.1 | 172.2 | -76.7 | 172.6 | 0 | 0 | 0 | 112.2 | N247 F251 | N247-L249 PolarHBondContact O-N 3.49Å; L249-F251 PolarHBondContact O-N 3.49Å; L249-F251 VanDerWaalsContact O-N 3.16Å | ||
| 250 | K | 25.6 | Very low | 28.9 | Very low | 204 Ų | 204 | 136.9 Ų | 136.9 | 89% | 0.887 | 73% | 0.731 | S | S | * | * | trans | 30.8 | 67.4 | 153.7 | -64.5 | -180 | 179.4 | 172 | 0 | 117.4 | P248 | P248-K250 VanDerWaalsContact C-N 3.33Å; P248-K250 PolarHBondContact O-N 3.43Å | ||
| 251 | F | 27.7 | Very low | 28.8 | Very low | 175 Ų | 175 | 137.4 Ų | 137.4 | 77% | 0.768 | 72% | 0.722 | S | S | * | * | trans | -84.3 | 149.6 | 154.3 | -88.3 | -90.8 | 0 | 0 | 0 | 111.5 | L249 Y318 | L249-F251 PolarHBondContact O-N 3.49Å; L249-F251 VanDerWaalsContact O-N 3.16Å; F251-Y318 HydrophobicContact CE1-CE1 4.42Å | ||
| 252 | N | 28.1 | Very low | 29 | Very low | 156 Ų | 156 | 136.2 Ų | 136.2 | 83% | 0.834 | 72% | 0.716 | S | S | * | * | trans | -73.3 | 144.9 | -161.5 | -149 | -16.7 | 0 | 0 | 0 | 113.1 | R254 | N252-R254 PolarHBondContact O-N 3.02Š| ||
| 253 | T | 25.3 | Very low | 29.3 | Very low | 113 Ų | 113 | 139.7 Ų | 139.7 | 69% | 0.693 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | 106.4 | -160.7 | 53 | 0 | 0 | 0 | 0 | 113.8 | ||
| 254 | R | 29.9 | Very low | 29.5 | Very low | 232 Ų | 232 | 139.5 Ų | 139.5 | 88% | 0.875 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -157.1 | -26.9 | 152.4 | -113.2 | 164.2 | -163.8 | -169.4 | 3.1 | 116.6 | N252 | N252-R254 PolarHBondContact O-N 3.02Š|
| 255 | N | 30.7 | Very low | 29.7 | Very low | 138 Ų | 138 | 137.3 Ų | 137.3 | 74% | 0.738 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -107.3 | 5.9 | -173.2 | -68.5 | 7.2 | 0 | 0 | 0 | 115.5 | S257 | N255-S257 PolarHBondContact O-N 3.39Š|
| 256 | S | 33.7 | Very low | 29.9 | Very low | 91 Ų | 91 | 138.2 Ų | 138.2 | 64% | 0.636 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | 4.3 | -169.4 | 64.6 | 0 | 0 | 0 | 0 | 116.2 | ||
| 257 | S | 31.5 | Very low | 29.9 | Very low | 67 Ų | 67 | 141.9 Ų | 141.9 | 47% | 0.469 | 72% | 0.721 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -99.5 | 4 | -176.7 | 58.6 | 0 | 0 | 0 | 0 | 114.8 | N255 R261 | N255-S257 PolarHBondContact O-N 3.39Å; S257-R261 PolarHBondContact O-NH2 3.45Å |
| 258 | Y | 30.3 | Very low | 30.2 | Very low | 164 Ų | 164 | 139.7 Ų | 139.7 | 64% | 0.643 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.8 | -40.7 | 178.1 | -83.6 | -96.3 | 0 | 0 | 0 | 113.5 | T260 R261 | Y258-T260 VanDerWaalsContact C-N 3.29Å; Y258-T260 PolarHBondContact O-N 3.17Å; Y258-R261 WeakPolarHBondContact O-CB 3.44Å; Y258-R261 PolarHBondContact O-N 3.11Å |
| 259 | L | 31.1 | Very low | 30.2 | Very low | 125 Ų | 125 | 138.9 Ų | 138.9 | 65% | 0.654 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -59.2 | -38.5 | 179.7 | -65.7 | 174.6 | 0 | 0 | 0 | 112.6 | R261 L262 L263 | L259-R261 PolarHBondContact O-N 3.03Å; L259-L262 PolarHBondContact O-N 3.24Å; L259-L263 PolarHBondContact O-N 3.35Å |
| 260 | T | 32.7 | Very low | 30.7 | Very low | 95 Ų | 95 | 136 Ų | 136 | 58% | 0.583 | 72% | 0.723 | S | S | * | * | H | α-helix | trans | -65.7 | -6.8 | 175.2 | -30.3 | 0 | 0 | 0 | 0 | 113.9 | Y258 N264 | Y258-T260 VanDerWaalsContact C-N 3.29Å; Y258-T260 PolarHBondContact O-N 3.17Å; T260-N264 PolarHBondContact O-ND2 3.25Å |
| 261 | R | 32.7 | Very low | 31.2 | Very low | 155 Ų | 155 | 131 Ų | 131 | 59% | 0.585 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -102.2 | -23 | 178.2 | -122.9 | 177.4 | -60.3 | -165.9 | 4.2 | 113.8 | S257 Y258 L259 | S257-R261 PolarHBondContact O-NH2 3.45Å; Y258-R261 WeakPolarHBondContact O-CB 3.44Å; Y258-R261 PolarHBondContact O-N 3.11Å; L259-R261 PolarHBondContact O-N 3.03Å |
| 262 | L | 34.3 | Very low | 31.7 | Very low | 118 Ų | 118 | 126 Ų | 126 | 62% | 0.618 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -85.2 | -22 | 176.3 | -72.8 | 166 | 0 | 0 | 0 | 112.8 | L259 N264 | L259-L262 PolarHBondContact O-N 3.24Å; L262-N264 VanDerWaalsContact C-N 3.3Å |
| 263 | L | 33.8 | Very low | 32.7 | Very low | 151 Ų | 151 | 122.7 Ų | 122.7 | 79% | 0.791 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -86.7 | 6.9 | 175.2 | -64.5 | 172.6 | 0 | 0 | 0 | 113.7 | L259 | L259-L263 PolarHBondContact O-N 3.35Š|
| 264 | N | 29.5 | Very low | 34.5 | Very low | 121 Ų | 121 | 120.3 Ų | 120.3 | 65% | 0.647 | 65% | 0.654 | S | S | * | * | trans | -133.9 | 43.6 | -172.2 | -76.8 | -59.1 | 0 | 0 | 0 | 112 | T260 L262 | T260-N264 PolarHBondContact O-ND2 3.25Å; L262-N264 VanDerWaalsContact C-N 3.3Å | ||
| 265 | T | 32.1 | Very low | 36.5 | Very low | 98 Ų | 98 | 112.7 Ų | 112.7 | 60% | 0.601 | 63% | 0.629 | S | S | * | * | trans | -121.3 | 97.3 | 176.9 | 52.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 266 | D | 31 | Very low | 38.8 | Very low | 151 Ų | 151 | 106.8 Ų | 106.8 | 81% | 0.807 | 60% | 0.597 | S | S | * | * | trans | 65 | 137.2 | 148.5 | -52.9 | -23.8 | 0 | 0 | 0 | 121.6 | S268 | D266-S268 PolarHBondContact O-N 3.02Š| ||
| 267 | E | 28.5 | Very low | 41.1 | Very low | 210 Ų | 210 | 104 Ų | 104 | 98% | 0.981 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -77.7 | 79.8 | -169.4 | -59 | -178.5 | 136.3 | 0 | 0 | 113.5 | ||
| 268 | S | 30.1 | Very low | 43.9 | Very low | 96 Ų | 96 | 100.8 Ų | 100.8 | 67% | 0.671 | 56% | 0.555 | S | S | * | * | trans | -144.2 | 127.6 | 164.4 | 61.7 | 0 | 0 | 0 | 0 | 113.2 | D266 S270 | D266-S268 PolarHBondContact O-N 3.02Å; S268-S270 PolarHBondContact O-N 3.21Å | ||
| 269 | G | 28.5 | Very low | 46.7 | Very low | 99 Ų | 99 | 95.7 Ų | 95.7 | 100% | 1.021 | 54% | 0.542 | S | S | * | . | trans | -84.4 | 59.1 | -164.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 270 | S | 37.4 | Very low | 49.3 | Very low | 96 Ų | 96 | 90.6 Ų | 90.6 | 67% | 0.671 | 52% | 0.517 | S | S | * | . | trans | -103.4 | 130.5 | 171.5 | 53.1 | 0 | 0 | 0 | 0 | 111.8 | S268 | S268-S270 PolarHBondContact O-N 3.21Š| ||
| 271 | I | 37 | Very low | 51.9 | Low | 100 Ų | 100 | 89 Ų | 89 | 51% | 0.513 | 50% | 0.503 | S | S | . | . | trans | -64.7 | 131.9 | 174.2 | -58.4 | 172.1 | 0 | 0 | 0 | 109 | Q239 T273 | Q239-I271 WeakPolarHBondContact O-CG2 3.41Å; I271-T273 PolarHBondContact O-N 2.75Å | ||
| 272 | P | 38.3 | Very low | 54.6 | Low | 71 Ų | 71 | 84.8 Ų | 84.8 | 46% | 0.461 | 49% | 0.489 | S | S | . | . | trans | -69.4 | 112.3 | 176.4 | 28 | -33.8 | 0 | 0 | 0 | 110.8 | Y274 | P272-Y274 HydrophobicContact CB-CE2 4.06Å; P272-Y274 HydrophobicContact CG-CE2 4.4Å | ||
| 273 | T | 48.7 | Very low | 57.3 | Low | 85 Ų | 85 | 79.3 Ų | 79.3 | 52% | 0.521 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 126.4 | 171.5 | 52.8 | 0 | 0 | 0 | 0 | 110.2 | T238 I271 | T238-T273 HydrophobicContact CG2-CG2 4.27Å; I271-T273 PolarHBondContact O-N 2.75Å |
| 274 | Y | 63.2 | Low | 60 | Low | 64 Ų | 64 | 72.1 Ų | 72.1 | 25% | 0.251 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 135 | 179.6 | -67.6 | -75 | 0 | 0 | 0 | 110.3 | R236 L237 P272 I322 F326 | R236-Y274 CarbonylContact C-O 3.55Å; R236-Y274 VanDerWaalsContact CA-O 3.27Å; R236-Y274 WeakPolarHBondContact CA-O 3.46Å; L237-Y274 PolarHBondContact N-O 3.42Å; L237-Y274 PolarHBondContact O-N 3.49Å; P272-Y274 HydrophobicContact CB-CE2 4.06Å; P272-Y274 HydrophobicContact CG-CE2 4.4Å; Y274-I322 HydrophobicContact CD2-CG2 4.48Å; Y274-I322 HydrophobicContact CG-CG2 4.29Å; Y274-F326 AromaticContact CD1-CD2 3.76Å; Y274-F326 HydrophobicContact CD1-CD2 3.76Å; Y274-F326 AromaticContact CD1-CE2 3.36Å; Y274-F326 HydrophobicContact CD1-CE2 3.36Å; Y274-F326 HydrophobicContact CD1-CZ 4.16Å; Y274-F326 HydrophobicContact CE1-CD2 4.31Å; Y274-F326 HydrophobicContact CE1-CE2 4.29Å; Y274-F326 AromaticContact CG-CE2 3.79Å; Y274-F326 HydrophobicContact CG-CE2 3.79Å; Y274-F326 HydrophobicContact CG-CZ 4.38Å |
| 275 | E | 70.4 | Confident | 62.7 | Low | 72 Ų | 72 | 66.3 Ų | 66.3 | 34% | 0.336 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 121.1 | -173.8 | -170.6 | 167.6 | 141 | 0 | 0 | 112.2 | L235 R236 F326 | L235-E275 CarbonylContact O-C 3.55Å; L235-E275 WeakPolarHBondContact O-CA 3.14Å; R236-E275 HydrophobicContact CB-CB 4.46Å; R236-E275 HydrophobicContact CB-CG 4.3Å; R236-E275 HydrophobicContact CG-CB 4.49Å; R236-E275 IonicContact CZ-OE2 2.79Å; R236-E275 IonicContact NE-OE2 3.71Å; R236-E275 PolarHBondContact NE-OE2 3.05Å; R236-E275 IonicContact NH2-OE1 2.95Å; R236-E275 IonicContact NH2-OE2 2.7Å; R236-E275 PolarHBondContact NH2-OE2 3.28Å; E275-F326 VanDerWaalsContact O-CE1 3.31Å; E275-F326 WeakPolarHBondContact O-CE1 3.41Å |
| 276 | I | 78.9 | Confident | 64.9 | Low | 13 Ų | 13 | 66 Ų | 66 | 7% | 0.067 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 120.8 | -172.8 | -50.6 | 172.7 | 0 | 0 | 0 | 109.7 | I212 Y234 L235 F278 P300 F326 | I212-I276 HydrophobicContact CD1-CD1 4.37Å; Y234-I276 WeakPolarHBondContact CA-O 3.4Å; L235-I276 PolarHBondContact N-O 3.34Å; L235-I276 PolarHBondContact O-N 3.37Å; I276-F278 HydrophobicContact CB-CE2 3.9Å; I276-F278 HydrophobicContact CG2-CD2 4.21Å; I276-F278 HydrophobicContact CG2-CE2 3.42Å; I276-F278 VanDerWaalsContact CG2-CE2 3.42Å; I276-F278 HydrophobicContact CG2-CZ 3.67Å; I276-P300 HydrophobicContact CG2-CG 4.08Å; I276-F326 HydrophobicContact CD1-CZ 4.35Å; I276-F326 HydrophobicContact CG1-CE1 3.85Å; I276-F326 HydrophobicContact CG1-CZ 3.58Å |
| 277 | S | 83.9 | Confident | 67.2 | Low | 33 Ų | 33 | 65.4 Ų | 65.4 | 23% | 0.231 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 145.4 | 175.8 | 127.5 | 0 | 0 | 0 | 0 | 112.7 | E232 I233 R331 | E232-S277 WeakPolarHBondContact OE1-CB 3.15Å; E232-S277 PolarHBondContact OE1-OG 3.16Å; I233-S277 CarbonylContact O-C 3.59Å; S277-R331 PolarHBondContact O-NH2 3.3Å; S277-R331 PolarHBondContact OG-NH2 3.5Å; S277-R331 VanDerWaalsContact OG-NH2 3.17Å |
| 278 | F | 89.4 | Confident | 69.8 | Low | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 91.3 | 174.2 | -63.6 | -93.8 | 0 | 0 | 0 | 109.2 | I212 I215 I233 L235 I276 I297 A299 | I212-F278 HydrophobicContact CG2-CZ 4.09Å; I215-F278 HydrophobicContact CB-CD1 4.46Å; I215-F278 HydrophobicContact CD1-CB 3.55Å; I215-F278 HydrophobicContact CD1-CD1 4.08Å; I215-F278 HydrophobicContact CD1-CD2 4.09Å; I215-F278 HydrophobicContact CD1-CG 3.66Å; I215-F278 HydrophobicContact CG1-CB 4.06Å; I215-F278 HydrophobicContact CG1-CD1 3.73Å; I215-F278 HydrophobicContact CG1-CE1 4.27Å; I215-F278 HydrophobicContact CG1-CG 3.87Å; I215-F278 HydrophobicContact CG2-CD1 4.19Å; I215-F278 HydrophobicContact CG2-CD2 4.32Å; I215-F278 HydrophobicContact CG2-CE1 3.93Å; I215-F278 HydrophobicContact CG2-CE2 4.1Å; I215-F278 HydrophobicContact CG2-CG 4.37Å; I215-F278 HydrophobicContact CG2-CZ 3.89Å; I233-F278 HydrophobicContact CB-CB 4.29Å; I233-F278 PolarHBondContact N-O 2.65Å; I233-F278 PolarHBondContact O-N 3.31Å; L235-F278 HydrophobicContact CB-CE2 4.44Å; L235-F278 HydrophobicContact CD1-CD2 4.36Å; L235-F278 HydrophobicContact CD1-CE2 3.57Å; L235-F278 HydrophobicContact CD1-CZ 4.14Å; L235-F278 HydrophobicContact CG-CD2 4.16Å; L235-F278 HydrophobicContact CG-CE2 3.75Å; I276-F278 HydrophobicContact CB-CE2 3.9Å; I276-F278 HydrophobicContact CG2-CD2 4.21Å; I276-F278 HydrophobicContact CG2-CE2 3.42Å; I276-F278 VanDerWaalsContact CG2-CE2 3.42Å; I276-F278 HydrophobicContact CG2-CZ 3.67Å; F278-I297 HydrophobicContact CB-CB 4.22Å; F278-I297 HydrophobicContact CB-CD1 4.12Å; F278-I297 HydrophobicContact CB-CG2 3.87Å; F278-I297 HydrophobicContact CD1-CB 4.13Å; F278-I297 HydrophobicContact CD1-CG2 3.98Å; F278-I297 WeakPolarHBondContact CD1-O 3.49Å; F278-I297 HydrophobicContact CG-CG2 4.43Å; F278-A299 HydrophobicContact CE1-CB 3.88Å; F278-A299 HydrophobicContact CZ-CB 4.04Å |
| 279 | P | 89 | Confident | 72.2 | Confident | 57 Ų | 57 | 55 Ų | 55 | 37% | 0.37 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 132.4 | 176.8 | 29.2 | -34.3 | 0 | 0 | 0 | 110.1 | I297 R331 | P279-I297 WeakPolarHBondContact O-CG2 3.26Å; P279-R331 VanDerWaalsContact CD-NH2 3.28Å |
| 280 | C | 85.8 | Confident | 74.5 | Confident | 18 Ų | 18 | 54.9 Ų | 54.9 | 12% | 0.122 | 30% | 0.301 | C | S | . | . | trans | -110.7 | -59.1 | -178.8 | -168.2 | 0 | 0 | 0 | 0 | 111.4 | P230 E231 I233 K282 I297 | P230-C280 HydrophobicContact CB-CB 4.27Å; P230-C280 HydrophobicContact CG-CB 4.24Å; P230-C280 WeakPolarHBondContact O-CB 3.41Å; E231-C280 PolarHBondContact O-N 2.72Å; I233-C280 HydrophobicContact CD1-CB 4.09Å; C280-K282 PolarHBondContact O-N 2.84Å; C280-I297 HydrophobicContact CB-CD1 3.59Å | ||
| 281 | M | 87.5 | Confident | 76.5 | Confident | 62 Ų | 62 | 51.6 Ų | 51.6 | 31% | 0.305 | 28% | 0.283 | S | S | . | . | trans | 38.3 | 45.7 | 178.8 | -83.8 | -62.5 | -138.8 | 0 | 0 | 115 | P127 P230 E231 | P127-M281 HydrophobicContact CG-CE 4.26Å; P127-M281 HydrophobicContact CG-SD 4.34Å; P230-M281 PolarHBondContact O-N 2.98Å; E231-M281 HydrophobicContact CB-CE 4.45Å; E231-M281 HydrophobicContact CB-CG 4.43Å; E231-M281 HydrophobicContact CB-SD 3.94Å; E231-M281 HydrophobicContact CG-CE 3.79Å; E231-M281 HydrophobicContact CG-CG 4.03Å; E231-M281 HydrophobicContact CG-SD 3.81Å; E231-M281 PolarHBondContact O-N 3.34Å; E231-M281 VanDerWaalsContact O-N 3.12Å | ||
| 282 | K | 88.8 | Confident | 78.7 | Confident | 65 Ų | 65 | 48.3 Ų | 48.3 | 28% | 0.283 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -144.1 | 144.1 | 174.2 | -71.5 | -167.2 | -176.4 | -168 | 0 | 109.8 | C280 E395 | C280-K282 PolarHBondContact O-N 2.84Å; K282-E395 IonicContact NZ-OE1 2.78Å; K282-E395 PolarHBondContact NZ-OE1 2.98Å; K282-E395 IonicContact NZ-OE2 2.72Å; K282-E395 PolarHBondContact NZ-OE2 3.28Å |
| 283 | W | 90.4 | Very high | 81.1 | Confident | 3 Ų | 3 | 46 Ų | 46 | 1% | 0.011 | 25% | 0.252 | C | S | . | . | trans | -56.2 | 139.7 | 171.6 | -67.9 | 101.5 | 0 | 0 | 0 | 112.4 | D126 E131 Y133 E227 L229 K288 R295 | D126-W283 HydrophobicContact CB-CZ2 4.29Å; D126-W283 PolarHBondContact OD2-NE1 3Å; E131-W283 HydrophobicContact CB-CZ2 3.96Å; Y133-W283 AromaticContact CD2-CH2 3.95Å; Y133-W283 HydrophobicContact CD2-CH2 3.95Å; Y133-W283 AromaticContact CD2-CZ3 3.69Å; Y133-W283 HydrophobicContact CD2-CZ3 3.69Å; Y133-W283 HydrophobicContact CE2-CZ3 4.34Å; Y133-W283 HydrophobicContact CG-CH2 4.22Å; Y133-W283 HydrophobicContact CG-CZ3 4.23Å; E227-W283 HydrophobicContact CB-CZ3 4.4Å; L229-W283 HydrophobicContact CB-CD2 4.38Å; L229-W283 HydrophobicContact CB-CE3 3.97Å; L229-W283 HydrophobicContact CB-CH2 4.15Å; L229-W283 HydrophobicContact CB-CZ3 3.86Å; L229-W283 HydrophobicContact CD1-CD2 4.28Å; L229-W283 HydrophobicContact CD1-CG 4.42Å; L229-W283 HydrophobicContact CD2-CH2 4.39Å; L229-W283 HydrophobicContact CD2-CZ2 4.19Å; W283-K288 HydrophobicContact CB-CB 4.26Å; W283-K288 HydrophobicContact CD2-CB 3.77Å; W283-K288 HydrophobicContact CD2-CD 3.91Å; W283-K288 HydrophobicContact CE3-CB 4.22Å; W283-K288 HydrophobicContact CE3-CD 3.83Å; W283-K288 HydrophobicContact CG-CB 3.77Å; W283-K288 HydrophobicContact CH2-CD 3.73Å; W283-K288 HydrophobicContact CZ2-CD 3.8Å; W283-K288 HydrophobicContact CZ3-CD 3.74Å; W283-R295 PolarHBondContact O-NE 2.64Å; W283-R295 PolarHBondContact O-NH2 2.96Å | ||
| 284 | L | 91.1 | Very high | 83.1 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.234 | C | C | . | . | B | Isolated β-bridge | trans | -103.7 | 107.9 | 149.5 | -65.8 | 164.4 | 0 | 0 | 0 | 105.4 | I217 H219 W228 P230 S292 L293 R295 | I217-L284 HydrophobicContact CG1-CD1 4.32Å; I217-L284 HydrophobicContact CG2-CD1 4.42Å; H219-L284 WeakPolarHBondContact NE2-CB 3.17Å; H219-L284 PolarHBondContact NE2-O 2.85Å; W228-L284 HydrophobicContact CB-CB 4.49Å; W228-L284 HydrophobicContact CD2-CD1 4.44Å; W228-L284 HydrophobicContact CE3-CD1 3.53Å; W228-L284 HydrophobicContact CZ3-CD1 3.93Å; W228-L284 PolarHBondContact N-O 3.17Å; W228-L284 PolarHBondContact O-N 2.79Å; P230-L284 HydrophobicContact CG-CD1 3.88Å; P230-L284 HydrophobicContact CG-CG 4.38Å; L284-S292 WeakPolarHBondContact CA-O 3.42Å; L284-L293 VanDerWaalsContact CD2-C 3.45Å; L284-R295 HydrophobicContact CD2-CG 3.86Å; L284-R295 HydrophobicContact CG-CG 4.43Å |
| 285 | S | 86 | Confident | 84.5 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | trans | -171.9 | 148.9 | -178.5 | 178.3 | 0 | 0 | 0 | 0 | 109.9 | F287 K288 G291 S292 | S285-F287 VanDerWaalsContact C-N 3.31Å; S285-F287 PolarHBondContact OG-N 3.4Å; S285-K288 PolarHBondContact OG-N 3.18Å; S285-G291 CarbonylContact O-C 3.22Å; S285-G291 WeakPolarHBondContact O-CA 3.37Å; S285-S292 PolarHBondContact N-O 3.47Å; S285-S292 VanDerWaalsContact N-O 3.16Å | ||
| 286 | R | 79.1 | Confident | 85.5 | Confident | 91 Ų | 91 | 37.2 Ų | 37.2 | 34% | 0.343 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -78.4 | -17 | 168.8 | -62.5 | -171.5 | -174.8 | -92.8 | -3.1 | 112.7 | L293 | R286-L293 HydrophobicContact CG-CD1 3.96Å; R286-L293 HydrophobicContact CG-CD2 3.85Å; R286-L293 HydrophobicContact CG-CG 4.05Å |
| 287 | F | 79.9 | Confident | 86.1 | Confident | 138 Ų | 138 | 37.2 Ų | 37.2 | 61% | 0.605 | 21% | 0.209 | S | C | * | . | S | Bend | trans | -121.4 | -2.1 | -166.5 | -50.6 | -63.2 | 0 | 0 | 0 | 114 | P226 S285 | P226-F287 HydrophobicContact CG-CE2 4.36Å; S285-F287 VanDerWaalsContact C-N 3.31Å; S285-F287 PolarHBondContact OG-N 3.4Å |
| 288 | K | 83.2 | Confident | 86.3 | Confident | 30 Ų | 30 | 35.8 Ų | 35.8 | 13% | 0.13 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -133.2 | 156.2 | 178.3 | -66.1 | -176.1 | 170.8 | 172.4 | 0 | 111 | E131 E227 W283 S285 D290 G291 | E131-K288 WeakPolarHBondContact OE2-CD 3.22Å; E131-K288 WeakPolarHBondContact OE2-CG 3.44Å; E227-K288 WeakPolarHBondContact OE1-CE 3.4Å; E227-K288 IonicContact OE1-NZ 3.42Å; E227-K288 VanDerWaalsContact OE2-CE 3.22Å; E227-K288 WeakPolarHBondContact OE2-CE 3.45Å; E227-K288 IonicContact OE2-NZ 3.78Å; E227-K288 PolarHBondContact OE2-NZ 3.43Å; W283-K288 HydrophobicContact CB-CB 4.26Å; W283-K288 HydrophobicContact CD2-CB 3.77Å; W283-K288 HydrophobicContact CD2-CD 3.91Å; W283-K288 HydrophobicContact CE3-CB 4.22Å; W283-K288 HydrophobicContact CE3-CD 3.83Å; W283-K288 HydrophobicContact CG-CB 3.77Å; W283-K288 HydrophobicContact CH2-CD 3.73Å; W283-K288 HydrophobicContact CZ2-CD 3.8Å; W283-K288 HydrophobicContact CZ3-CD 3.74Å; S285-K288 PolarHBondContact OG-N 3.18Å; K288-D290 PolarHBondContact O-N 3.15Å; K288-G291 PolarHBondContact O-N 2.9Å |
| 289 | G | 79.5 | Confident | 86 | Confident | 57 Ų | 57 | 35.9 Ų | 35.9 | 59% | 0.588 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | -121.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 290 | D | 77.6 | Confident | 85.4 | Confident | 97 Ų | 97 | 34.1 Ų | 34.1 | 52% | 0.519 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.5 | 9.8 | -179.1 | 66.4 | 6.1 | 0 | 0 | 0 | 114.1 | K288 S292 R295 | K288-D290 PolarHBondContact O-N 3.15Å; D290-S292 VanDerWaalsContact C-N 3.29Å; D290-S292 PolarHBondContact O-N 3.17Å; D290-S292 WeakPolarHBondContact OD1-CB 3.37Å; D290-S292 PolarHBondContact OD1-N 2.96Å; D290-R295 VanDerWaalsContact CG-NH2 3.34Å; D290-R295 IonicContact OD1-CZ 2.79Å; D290-R295 IonicContact OD1-NH1 3.96Å; D290-R295 PolarHBondContact OD1-NH1 2.68Å; D290-R295 IonicContact OD1-NH2 2.68Å; D290-R295 PolarHBondContact OD1-NH2 3.35Å; D290-R295 IonicContact OD2-CZ 3.6Å; D290-R295 IonicContact OD2-NH1 3.92Å; D290-R295 PolarHBondContact OD2-NH1 2.98Å; D290-R295 IonicContact OD2-NH2 3.88Å; D290-R295 PolarHBondContact OD2-NH2 2.74Å |
| 291 | G | 79.1 | Confident | 84.5 | Confident | 27 Ų | 27 | 33.3 Ų | 33.3 | 28% | 0.278 | 18% | 0.183 | S | C | . | . | S | Bend | trans | 78.3 | 2.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | S285 K288 | S285-G291 CarbonylContact O-C 3.22Å; S285-G291 WeakPolarHBondContact O-CA 3.37Å; K288-G291 PolarHBondContact O-N 2.9Å |
| 292 | S | 83.4 | Confident | 83.7 | Confident | 32 Ų | 32 | 32 Ų | 32 | 22% | 0.224 | 18% | 0.179 | C | C | . | . | trans | -75 | 137.5 | 180 | -169.8 | 0 | 0 | 0 | 0 | 113.1 | L284 S285 D290 V294 | L284-S292 WeakPolarHBondContact CA-O 3.42Å; S285-S292 PolarHBondContact N-O 3.47Å; S285-S292 VanDerWaalsContact N-O 3.16Å; D290-S292 VanDerWaalsContact C-N 3.29Å; D290-S292 PolarHBondContact O-N 3.17Å; D290-S292 WeakPolarHBondContact OD1-CB 3.37Å; D290-S292 PolarHBondContact OD1-N 2.96Å; S292-V294 PolarHBondContact OG-N 3.04Å; S292-V294 VanDerWaalsContact OG-N 3.13Å; S292-V294 PolarHBondContact OG-O 2.92Å | ||
| 293 | L | 88.4 | Confident | 82.6 | Confident | 21 Ų | 21 | 32.4 Ų | 32.4 | 11% | 0.11 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -101 | 12.4 | 168.2 | -57.4 | -163.5 | 0 | 0 | 0 | 113.5 | S218 H219 L284 R286 | S218-L293 WeakPolarHBondContact CA-O 3.48Å; S218-L293 VanDerWaalsContact CB-O 3.32Å; S218-L293 WeakPolarHBondContact CB-O 3.31Å; H219-L293 VanDerWaalsContact CE1-CD2 3.46Å; H219-L293 WeakPolarHBondContact CE1-CD2 3.39Å; H219-L293 PolarHBondContact N-O 2.79Å; L284-L293 VanDerWaalsContact CD2-C 3.45Å; R286-L293 HydrophobicContact CG-CD1 3.96Å; R286-L293 HydrophobicContact CG-CD2 3.85Å; R286-L293 HydrophobicContact CG-CG 4.05Å |
| 294 | V | 91.2 | Very high | 80.9 | Confident | 24 Ų | 24 | 35.6 Ų | 35.6 | 15% | 0.145 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 139.3 | 176.1 | -166.8 | 0 | 0 | 0 | 0 | 111.2 | R216 I217 S292 | R216-V294 HydrophobicContact CG-CG1 3.61Å; I217-V294 CarbonylContact O-C 3.57Å; I217-V294 WeakPolarHBondContact O-CA 3.43Å; S292-V294 PolarHBondContact OG-N 3.04Å; S292-V294 VanDerWaalsContact OG-N 3.13Å; S292-V294 PolarHBondContact OG-O 2.92Å |
| 295 | R | 91.5 | Very high | 78.9 | Confident | 8 Ų | 8 | 40.5 Ų | 40.5 | 3% | 0.03 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 154.9 | 166.1 | -60.6 | -64.1 | 173.9 | -157.8 | -11.8 | 110.6 | R216 I217 W283 L284 D290 E395 | R216-R295 WeakPolarHBondContact CA-O 3.47Å; I217-R295 HydrophobicContact CG2-CB 3.86Å; I217-R295 PolarHBondContact N-O 3.38Å; I217-R295 PolarHBondContact O-N 3.15Å; W283-R295 PolarHBondContact O-NE 2.64Å; W283-R295 PolarHBondContact O-NH2 2.96Å; L284-R295 HydrophobicContact CD2-CG 3.86Å; L284-R295 HydrophobicContact CG-CG 4.43Å; D290-R295 VanDerWaalsContact CG-NH2 3.34Å; D290-R295 IonicContact OD1-CZ 2.79Å; D290-R295 IonicContact OD1-NH1 3.96Å; D290-R295 PolarHBondContact OD1-NH1 2.68Å; D290-R295 IonicContact OD1-NH2 2.68Å; D290-R295 PolarHBondContact OD1-NH2 3.35Å; D290-R295 IonicContact OD2-CZ 3.6Å; D290-R295 IonicContact OD2-NH1 3.92Å; D290-R295 PolarHBondContact OD2-NH1 2.98Å; D290-R295 IonicContact OD2-NH2 3.88Å; D290-R295 PolarHBondContact OD2-NH2 2.74Å; R295-E395 IonicContact CZ-OE2 3.26Å; R295-E395 IonicContact NH1-OE2 2.63Å; R295-E395 PolarHBondContact NH1-OE2 3.04Å |
| 296 | E | 92 | Very high | 76.6 | Confident | 6 Ų | 6 | 48.5 Ų | 48.5 | 3% | 0.028 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 135.5 | 170.2 | -66.4 | -175.6 | -178.1 | 0 | 0 | 109.6 | K214 I215 R216 R371 V397 | K214-E296 IonicContact NZ-OE1 2.74Å; K214-E296 IonicContact NZ-OE2 3.38Å; K214-E296 PolarHBondContact NZ-OE2 3.08Å; I215-E296 WeakPolarHBondContact O-CA 3.27Å; R216-E296 HydrophobicContact CB-CG 4.12Å; R216-E296 HydrophobicContact CG-CG 3.98Å; R216-E296 IonicContact CZ-OE1 3.46Å; R216-E296 IonicContact NE-OE1 2.68Å; R216-E296 PolarHBondContact NE-OE1 3.17Å; R216-E296 IonicContact NH2-OE1 3.83Å; R216-E296 PolarHBondContact NH2-OE1 2.87Å; E296-R371 IonicContact OE1-CZ 3.52Å; E296-R371 IonicContact OE1-NH1 3.23Å; E296-R371 IonicContact OE1-NH2 2.85Å; E296-R371 PolarHBondContact OE1-NH2 3.02Å; E296-V397 HydrophobicContact CB-CG2 3.9Å; E296-V397 PolarHBondContact OE2-N 2.77Å; E296-V397 VanDerWaalsContact OE2-N 3.16Å |
| 297 | I | 91.1 | Very high | 74.4 | Confident | 13 Ų | 13 | 52.4 Ų | 52.4 | 7% | 0.067 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 118.8 | -174.7 | -49.4 | 160.5 | 0 | 0 | 0 | 107.5 | K214 I215 I233 F278 P279 C280 | K214-I297 CarbonylContact C-O 3.56Å; K214-I297 WeakPolarHBondContact CA-O 3.44Å; K214-I297 VanDerWaalsContact CB-O 3.24Å; K214-I297 WeakPolarHBondContact CB-O 3.48Å; I215-I297 HydrophobicContact CD1-CD1 4.25Å; I215-I297 HydrophobicContact CG1-CB 4.17Å; I215-I297 HydrophobicContact CG1-CD1 4.29Å; I215-I297 PolarHBondContact N-O 3.26Å; I215-I297 PolarHBondContact O-N 2.88Å; I233-I297 HydrophobicContact CD1-CD1 4.14Å; F278-I297 HydrophobicContact CB-CB 4.22Å; F278-I297 HydrophobicContact CB-CD1 4.12Å; F278-I297 HydrophobicContact CB-CG2 3.87Å; F278-I297 HydrophobicContact CD1-CB 4.13Å; F278-I297 HydrophobicContact CD1-CG2 3.98Å; F278-I297 WeakPolarHBondContact CD1-O 3.49Å; F278-I297 HydrophobicContact CG-CG2 4.43Å; P279-I297 WeakPolarHBondContact O-CG2 3.26Å; C280-I297 HydrophobicContact CB-CD1 3.59Å |
| 298 | A | 88 | Confident | 72 | Confident | 2 Ų | 2 | 49.7 Ų | 49.7 | 2% | 0.017 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 146.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R331 A332 V397 | A298-R331 HydrophobicContact CB-CB 4.26Å; A298-R331 VanDerWaalsContact O-CD 3.26Å; A298-R331 WeakPolarHBondContact O-CD 3.36Å; A298-R331 PolarHBondContact O-NE 3.32Å; A298-A332 HydrophobicContact CB-CB 3.89Å; A298-A332 WeakPolarHBondContact CB-O 3.47Å; A298-V397 HydrophobicContact CB-CG1 3.89Å; A298-V397 HydrophobicContact CB-CG2 3.93Å |
| 299 | A | 83.9 | Confident | 69.5 | Low | 2 Ų | 2 | 52.4 Ų | 52.4 | 2% | 0.017 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 154.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | I212 S213 F278 T302 | I212-A299 VanDerWaalsContact O-CB 3.24Å; I212-A299 WeakPolarHBondContact O-CB 3.39Å; S213-A299 PolarHBondContact O-N 3.15Å; F278-A299 HydrophobicContact CE1-CB 3.88Å; F278-A299 HydrophobicContact CZ-CB 4.04Å; A299-T302 HydrophobicContact CB-CG2 3.97Å; A299-T302 WeakPolarHBondContact O-CB 3.37Å; A299-T302 VanDerWaalsContact O-CG2 3.3Å; A299-T302 WeakPolarHBondContact O-CG2 3.17Å; A299-T302 PolarHBondContact O-OG1 2.96Å |
| 300 | P | 76.2 | Confident | 67.1 | Low | 20 Ų | 20 | 60.7 Ų | 60.7 | 13% | 0.13 | 33% | 0.333 | C | S | . | . | B | Isolated β-bridge | trans | -51.7 | 152.5 | 165.8 | -24.1 | 35.1 | 0 | 0 | 0 | 111.9 | I276 T302 L325 Q328 | I276-P300 HydrophobicContact CG2-CG 4.08Å; P300-T302 PolarHBondContact O-N 3.06Å; P300-L325 WeakPolarHBondContact O-CD2 3.18Å; P300-Q328 CarbonylContact C-O 3.59Å; P300-Q328 WeakPolarHBondContact CB-O 3.42Å |
| 301 | G | 66.6 | Low | 64.7 | Low | 2 Ų | 2 | 63.3 Ų | 63.3 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 8.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | L320 Q328 E330 | G301-L320 VanDerWaalsContact O-CD1 3.28Å; G301-L320 WeakPolarHBondContact O-CD1 3.26Å; G301-Q328 PolarHBondContact N-O 2.59Å; G301-E330 PolarHBondContact N-O 2.7Å; G301-E330 VanDerWaalsContact N-O 3.1Å |
| 302 | T | 70.9 | Confident | 62.3 | Low | 35 Ų | 35 | 65.1 Ų | 65.1 | 22% | 0.215 | 36% | 0.364 | C | S | . | . | trans | -91.3 | -1.2 | -178.9 | 57.3 | 0 | 0 | 0 | 0 | 114.5 | A299 P300 E330 A332 | A299-T302 HydrophobicContact CB-CG2 3.97Å; A299-T302 WeakPolarHBondContact O-CB 3.37Å; A299-T302 VanDerWaalsContact O-CG2 3.3Å; A299-T302 WeakPolarHBondContact O-CG2 3.17Å; A299-T302 PolarHBondContact O-OG1 2.96Å; P300-T302 PolarHBondContact O-N 3.06Å; T302-E330 PolarHBondContact N-O 3.16Å; T302-A332 PolarHBondContact OG1-N 2.87Å | ||
| 303 | Q | 65 | Low | 59.7 | Low | 72 Ų | 72 | 73.8 Ų | 73.8 | 34% | 0.336 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 139.9 | 176.2 | -166.2 | -157.8 | 61.1 | 0 | 0 | 111.6 | E330 | Q303-E330 HydrophobicContact CB-CB 3.81Å; Q303-E330 HydrophobicContact CG-CB 4.23Å; Q303-E330 PolarHBondContact N-O 3.13Å; Q303-E330 VanDerWaalsContact NE2-CD 3.28Å; Q303-E330 PolarHBondContact NE2-OE1 2.89Å |
| 304 | L | 56.2 | Low | 56.9 | Low | 70 Ų | 70 | 80 Ų | 80 | 37% | 0.366 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -79.2 | 130.8 | 173.7 | -67.4 | 170.2 | 0 | 0 | 0 | 110.2 | D306 F398 | L304-D306 PolarHBondContact O-N 2.86Å; L304-F398 HydrophobicContact CD1-CD1 3.83Å; L304-F398 HydrophobicContact CD1-CE1 3.56Å |
| 305 | P | 47.2 | Very low | 54 | Low | 104 Ų | 104 | 84.6 Ų | 84.6 | 68% | 0.675 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -64.1 | 135.4 | 177.4 | 26.2 | -33.9 | 0 | 0 | 0 | 110.8 | Q307 | P305-Q307 PolarHBondContact O-N 3.41Š|
| 306 | D | 38 | Very low | 51.1 | Low | 167 Ų | 167 | 92.5 Ų | 92.5 | 89% | 0.893 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -71.8 | 24 | -161.3 | -154.3 | 21.9 | 0 | 0 | 0 | 115.9 | L304 A308 | L304-D306 PolarHBondContact O-N 2.86Å; D306-A308 PolarHBondContact O-N 2.78Å |
| 307 | Q | 34 | Very low | 48.3 | Very low | 174 Ų | 174 | 95.1 Ų | 95.1 | 81% | 0.813 | 50% | 0.498 | S | S | * | . | trans | -93.6 | 82 | 177.6 | -63.2 | -167.6 | 13.3 | 0 | 0 | 110.7 | P305 | P305-Q307 PolarHBondContact O-N 3.41Š| ||
| 308 | A | 28.7 | Very low | 45.5 | Very low | 80 Ų | 80 | 101.8 Ų | 101.8 | 66% | 0.661 | 52% | 0.523 | S | S | * | . | trans | -44.8 | 128 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | D306 R310 | D306-A308 PolarHBondContact O-N 2.78Å; A308-R310 PolarHBondContact O-N 3.46Å | ||
| 309 | P | 30.9 | Very low | 42.9 | Very low | 87 Ų | 87 | 106.4 Ų | 106.4 | 57% | 0.565 | 55% | 0.553 | S | S | * | * | trans | -73.2 | 85.6 | -173.9 | 29.1 | -35.5 | 0 | 0 | 0 | 112.2 | L311 L315 | P309-L311 PolarHBondContact O-N 3.12Å; P309-L315 HydrophobicContact CB-CD1 4.25Å | ||
| 310 | R | 29 | Very low | 40.8 | Very low | 232 Ų | 232 | 109 Ų | 109 | 88% | 0.875 | 57% | 0.566 | S | S | * | * | trans | -58.1 | 108.1 | 168.9 | -66.6 | 178.4 | -180 | 165.8 | 1 | 109.7 | A308 | A308-R310 PolarHBondContact O-N 3.46Š| ||
| 311 | L | 27.4 | Very low | 39.4 | Very low | 152 Ų | 152 | 112 Ų | 112 | 80% | 0.796 | 58% | 0.581 | S | S | * | * | S | Bend | trans | 61 | 96.3 | 179.5 | -67.9 | 81.7 | 0 | 0 | 0 | 115.8 | P309 R313 | P309-L311 PolarHBondContact O-N 3.12Å; L311-R313 PolarHBondContact O-N 3Å |
| 312 | G | 28.4 | Very low | 38.4 | Very low | 65 Ų | 65 | 113.4 Ų | 113.4 | 67% | 0.67 | 59% | 0.588 | S | S | * | * | S | Bend | trans | 68.6 | -13.3 | 131 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||
| 313 | R | 29.6 | Very low | 37 | Very low | 214 Ų | 214 | 115.1 Ų | 115.1 | 81% | 0.808 | 60% | 0.599 | S | S | * | * | trans | -83.1 | 156.4 | -179.6 | -70.1 | -178.1 | 172.3 | 176.9 | -3 | 111.9 | L311 R401 | L311-R313 PolarHBondContact O-N 3Å; R313-R401 PolarHBondContact O-NH2 2.72Å | ||
| 314 | I | 29.5 | Very low | 36.2 | Very low | 151 Ų | 151 | 114 Ų | 114 | 77% | 0.774 | 60% | 0.597 | S | S | * | * | trans | -81.6 | 119.3 | 177.1 | -63.1 | 166 | 0 | 0 | 0 | 108 | K316 | I314-K316 PolarHBondContact O-N 3.27Š| ||
| 315 | L | 29.3 | Very low | 35.7 | Very low | 120 Ų | 120 | 111.4 Ų | 111.4 | 63% | 0.628 | 58% | 0.583 | S | S | * | * | trans | -79.4 | 109.1 | 165.1 | -79.7 | 168.1 | 0 | 0 | 0 | 108.2 | P309 V317 | P309-L315 HydrophobicContact CB-CD1 4.25Å; L315-V317 VanDerWaalsContact C-N 3.32Å; L315-V317 PolarHBondContact O-N 3.15Å | ||
| 316 | K | 30.4 | Very low | 35.8 | Very low | 175 Ų | 175 | 110.4 Ų | 110.4 | 76% | 0.761 | 57% | 0.568 | S | S | * | * | trans | -67.8 | 94.2 | 162.3 | -80.4 | -168.8 | 173.6 | -171.4 | 0 | 107.9 | I314 Y318 | I314-K316 PolarHBondContact O-N 3.27Å; K316-Y318 PolarHBondContact O-N 2.92Å | ||
| 317 | V | 34.8 | Very low | 36.1 | Very low | 61 Ų | 61 | 109.6 Ų | 109.6 | 37% | 0.37 | 56% | 0.559 | S | S | . | * | trans | -74.5 | 115.8 | 163.9 | -174.6 | 0 | 0 | 0 | 0 | 106.4 | R148 L315 | R148-V317 PolarHBondContact NH1-O 2.88Å; L315-V317 VanDerWaalsContact C-N 3.32Å; L315-V317 PolarHBondContact O-N 3.15Å | ||
| 318 | Y | 31.6 | Very low | 36.9 | Very low | 152 Ų | 152 | 105 Ų | 105 | 60% | 0.596 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 158.1 | 176.4 | -66.2 | -87.6 | 0 | 0 | 0 | 110.4 | R148 F251 K316 | R148-Y318 PolarHBondContact NH2-O 2.97Å; R148-Y318 VanDerWaalsContact NH2-O 3.1Å; F251-Y318 HydrophobicContact CE1-CE1 4.42Å; K316-Y318 PolarHBondContact O-N 2.92Å |
| 319 | P | 33.9 | Very low | 38.2 | Very low | 100 Ų | 100 | 109.9 Ų | 109.9 | 65% | 0.649 | 55% | 0.547 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 135.4 | 164.9 | 27.7 | -33.3 | 0 | 0 | 0 | 109 | ||
| 320 | L | 40.1 | Very low | 40 | Very low | 55 Ų | 55 | 110.9 Ų | 110.9 | 29% | 0.288 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -92.1 | 124.2 | 167.2 | -78.2 | 159.4 | 0 | 0 | 0 | 106.2 | G301 T324 L325 | G301-L320 VanDerWaalsContact O-CD1 3.28Å; G301-L320 WeakPolarHBondContact O-CD1 3.26Å; L320-T324 WeakPolarHBondContact CA-OG1 3.49Å; L320-T324 WeakPolarHBondContact CB-OG1 3.28Å; L320-T324 WeakPolarHBondContact CD2-OG1 3.25Å; L320-L325 HydrophobicContact CB-CD2 3.72Å; L320-L325 HydrophobicContact CB-CG 4.06Å; L320-L325 HydrophobicContact CD1-CD2 4.11Å |
| 321 | D | 45.6 | Very low | 42.3 | Very low | 84 Ų | 84 | 103.7 Ų | 103.7 | 45% | 0.449 | 52% | 0.517 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 162 | 174.4 | 75.1 | 34.8 | 0 | 0 | 0 | 111 | T323 T324 L325 | D321-T323 VanDerWaalsContact CG-OG1 3.3Å; D321-T323 PolarHBondContact O-N 2.9Å; D321-T323 WeakPolarHBondContact OD1-CA 3.44Å; D321-T323 VanDerWaalsContact OD1-CB 3.25Å; D321-T323 WeakPolarHBondContact OD1-CB 3.33Å; D321-T323 PolarHBondContact OD1-N 3.43Å; D321-T323 PolarHBondContact OD1-OG1 3.23Å; D321-T324 PolarHBondContact N-OG1 3.39Å; D321-T324 PolarHBondContact O-N 2.72Å; D321-T324 PolarHBondContact O-OG1 2.89Å; D321-T324 PolarHBondContact OD1-N 2.96Å; D321-L325 PolarHBondContact O-N 3.34Å |
| 322 | I | 44.9 | Very low | 44.7 | Very low | 31 Ų | 31 | 97.2 Ų | 97.2 | 16% | 0.159 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -52.4 | -40.7 | -178.5 | -67.9 | 172.5 | 0 | 0 | 0 | 111.6 | L237 Y274 T324 L325 F326 | L237-I322 HydrophobicContact CD1-CD1 4.31Å; Y274-I322 HydrophobicContact CD2-CG2 4.48Å; Y274-I322 HydrophobicContact CG-CG2 4.29Å; I322-T324 PolarHBondContact O-N 3.1Å; I322-L325 PolarHBondContact O-N 3.36Å; I322-F326 HydrophobicContact CG2-CD2 4.31Å; I322-F326 HydrophobicContact CG2-CE2 3.63Å; I322-F326 WeakPolarHBondContact O-CD2 3.31Å |
| 323 | T | 42.9 | Very low | 47.2 | Very low | 72 Ų | 72 | 97.5 Ų | 97.5 | 44% | 0.442 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.3 | -32.7 | 176 | 11.4 | 0 | 0 | 0 | 0 | 114.1 | D321 | D321-T323 VanDerWaalsContact CG-OG1 3.3Å; D321-T323 PolarHBondContact O-N 2.9Å; D321-T323 WeakPolarHBondContact OD1-CA 3.44Å; D321-T323 VanDerWaalsContact OD1-CB 3.25Å; D321-T323 WeakPolarHBondContact OD1-CB 3.33Å; D321-T323 PolarHBondContact OD1-N 3.43Å; D321-T323 PolarHBondContact OD1-OG1 3.23Å |
| 324 | T | 48.4 | Very low | 49.8 | Very low | 47 Ų | 47 | 89.7 Ų | 89.7 | 29% | 0.288 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -78.9 | -33.7 | 175.6 | 57.6 | 0 | 0 | 0 | 0 | 113.4 | L320 D321 I322 F326 Q327 | L320-T324 WeakPolarHBondContact CA-OG1 3.49Å; L320-T324 WeakPolarHBondContact CB-OG1 3.28Å; L320-T324 WeakPolarHBondContact CD2-OG1 3.25Å; D321-T324 PolarHBondContact N-OG1 3.39Å; D321-T324 PolarHBondContact O-N 2.72Å; D321-T324 PolarHBondContact O-OG1 2.89Å; D321-T324 PolarHBondContact OD1-N 2.96Å; I322-T324 PolarHBondContact O-N 3.1Å; T324-F326 PolarHBondContact O-N 3.47Å; T324-Q327 PolarHBondContact O-N 3.25Å |
| 325 | L | 46 | Very low | 52.4 | Low | 17 Ų | 17 | 83.2 Ų | 83.2 | 9% | 0.089 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -60.5 | -32 | 177.6 | -67.1 | 169.6 | 0 | 0 | 0 | 112.4 | P300 L320 D321 I322 Q327 | P300-L325 WeakPolarHBondContact O-CD2 3.18Å; L320-L325 HydrophobicContact CB-CD2 3.72Å; L320-L325 HydrophobicContact CB-CG 4.06Å; L320-L325 HydrophobicContact CD1-CD2 4.11Å; D321-L325 PolarHBondContact O-N 3.34Å; I322-L325 PolarHBondContact O-N 3.36Å; L325-Q327 VanDerWaalsContact C-N 3.26Å; L325-Q327 PolarHBondContact O-N 2.93Å |
| 326 | F | 47.6 | Very low | 55.2 | Low | 82 Ų | 82 | 80.7 Ų | 80.7 | 36% | 0.36 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -8.8 | 176 | -71.4 | -62.4 | 0 | 0 | 0 | 115.5 | Y274 E275 I276 I322 T324 | Y274-F326 AromaticContact CD1-CD2 3.76Å; Y274-F326 HydrophobicContact CD1-CD2 3.76Å; Y274-F326 AromaticContact CD1-CE2 3.36Å; Y274-F326 HydrophobicContact CD1-CE2 3.36Å; Y274-F326 HydrophobicContact CD1-CZ 4.16Å; Y274-F326 HydrophobicContact CE1-CD2 4.31Å; Y274-F326 HydrophobicContact CE1-CE2 4.29Å; Y274-F326 AromaticContact CG-CE2 3.79Å; Y274-F326 HydrophobicContact CG-CE2 3.79Å; Y274-F326 HydrophobicContact CG-CZ 4.38Å; E275-F326 VanDerWaalsContact O-CE1 3.31Å; E275-F326 WeakPolarHBondContact O-CE1 3.41Å; I276-F326 HydrophobicContact CD1-CZ 4.35Å; I276-F326 HydrophobicContact CG1-CE1 3.85Å; I276-F326 HydrophobicContact CG1-CZ 3.58Å; I322-F326 HydrophobicContact CG2-CD2 4.31Å; I322-F326 HydrophobicContact CG2-CE2 3.63Å; I322-F326 WeakPolarHBondContact O-CD2 3.31Å; T324-F326 PolarHBondContact O-N 3.47Å |
| 327 | Q | 45 | Very low | 58 | Low | 151 Ų | 151 | 72.5 Ų | 72.5 | 71% | 0.706 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.3 | 0.5 | 178.9 | -60.6 | -173.9 | 9.6 | 0 | 0 | 113.2 | T324 L325 | T324-Q327 PolarHBondContact O-N 3.25Å; L325-Q327 VanDerWaalsContact C-N 3.26Å; L325-Q327 PolarHBondContact O-N 2.93Å |
| 328 | Q | 51.3 | Low | 60.7 | Low | 78 Ų | 78 | 71.7 Ų | 71.7 | 36% | 0.364 | 36% | 0.359 | S | S | . | . | trans | -136.5 | 106.1 | -175 | -64.3 | -169.6 | -93.9 | 0 | 0 | 111.3 | P300 G301 E330 | P300-Q328 CarbonylContact C-O 3.59Å; P300-Q328 WeakPolarHBondContact CB-O 3.42Å; G301-Q328 PolarHBondContact N-O 2.59Å; Q328-E330 PolarHBondContact O-N 2.89Å | ||
| 329 | E | 55.8 | Low | 63.6 | Low | 181 Ų | 181 | 64.4 Ų | 64.4 | 85% | 0.846 | 33% | 0.331 | S | S | * | . | trans | -69 | -17.8 | 176.9 | -61.4 | -175.5 | 156.6 | 0 | 0 | 113.2 | R331 | E329-R331 PolarHBondContact O-N 3.33Š| ||
| 330 | E | 68.2 | Low | 66.3 | Low | 109 Ų | 109 | 61.3 Ų | 61.3 | 51% | 0.509 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -74.9 | 123.9 | -173 | -62.2 | -177.2 | 96.9 | 0 | 0 | 112.4 | G301 T302 Q303 Q328 | G301-E330 PolarHBondContact N-O 2.7Å; G301-E330 VanDerWaalsContact N-O 3.1Å; T302-E330 PolarHBondContact N-O 3.16Å; Q303-E330 HydrophobicContact CB-CB 3.81Å; Q303-E330 HydrophobicContact CG-CB 4.23Å; Q303-E330 PolarHBondContact N-O 3.13Å; Q303-E330 VanDerWaalsContact NE2-CD 3.28Å; Q303-E330 PolarHBondContact NE2-OE1 2.89Å; Q328-E330 PolarHBondContact O-N 2.89Å |
| 331 | R | 77.2 | Confident | 68.8 | Low | 81 Ų | 81 | 58.7 Ų | 58.7 | 31% | 0.306 | 30% | 0.295 | S | S | . | . | B | Isolated β-bridge | trans | -102.7 | 152.5 | -176.6 | -66.3 | 179.4 | 170 | 103.4 | -7.2 | 111.4 | S277 P279 A298 E329 | S277-R331 PolarHBondContact O-NH2 3.3Å; S277-R331 PolarHBondContact OG-NH2 3.5Å; S277-R331 VanDerWaalsContact OG-NH2 3.17Å; P279-R331 VanDerWaalsContact CD-NH2 3.28Å; A298-R331 HydrophobicContact CB-CB 4.26Å; A298-R331 VanDerWaalsContact O-CD 3.26Å; A298-R331 WeakPolarHBondContact O-CD 3.36Å; A298-R331 PolarHBondContact O-NE 3.32Å; E329-R331 PolarHBondContact O-N 3.33Å |
| 332 | A | 78 | Confident | 70.8 | Confident | 15 Ų | 15 | 56.2 Ų | 56.2 | 12% | 0.124 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -61 | 136.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | A298 T302 V397 | A298-A332 HydrophobicContact CB-CB 3.89Å; A298-A332 WeakPolarHBondContact CB-O 3.47Å; T302-A332 PolarHBondContact OG1-N 2.87Å; A332-V397 HydrophobicContact CB-CG1 3.93Å |
| 333 | P | 81.6 | Confident | 72.6 | Confident | 72 Ų | 72 | 54.7 Ų | 54.7 | 47% | 0.468 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 144.5 | -176 | 26.7 | -34 | 0 | 0 | 0 | 111.9 | I335 F398 | P333-I335 HydrophobicContact CB-CD1 4.47Å; P333-I335 HydrophobicContact CB-CG1 4.25Å; P333-I335 HydrophobicContact CG-CD1 4.15Å; P333-I335 HydrophobicContact CG-CG1 4.4Å; P333-F398 HydrophobicContact CG-CB 4.2Å; P333-F398 WeakPolarHBondContact O-CB 3.35Å; P333-F398 PolarHBondContact O-N 3.4Å |
| 334 | V | 84.7 | Confident | 73.7 | Confident | 49 Ų | 49 | 51.3 Ų | 51.3 | 30% | 0.297 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 129.1 | 167.9 | 178.5 | 0 | 0 | 0 | 0 | 108.1 | E395 V397 | V334-E395 HydrophobicContact CG1-CG 3.25Å; V334-E395 WeakPolarHBondContact CG1-OE1 3.44Å; V334-V397 HydrophobicContact CG2-CG2 4.09Å |
| 335 | I | 83.9 | Confident | 74.5 | Confident | 15 Ų | 15 | 56.1 Ų | 56.1 | 8% | 0.077 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 143.4 | -169.5 | -54.5 | -166.7 | 0 | 0 | 0 | 110.7 | P333 Y337 A396 F398 Q445 L446 | P333-I335 HydrophobicContact CB-CD1 4.47Å; P333-I335 HydrophobicContact CB-CG1 4.25Å; P333-I335 HydrophobicContact CG-CD1 4.15Å; P333-I335 HydrophobicContact CG-CG1 4.4Å; I335-Y337 HydrophobicContact CB-CE2 4.28Å; I335-A396 PolarHBondContact N-O 3.47Å; I335-A396 PolarHBondContact O-N 2.97Å; I335-F398 HydrophobicContact CD1-CB 3.96Å; I335-F398 HydrophobicContact CD1-CD2 3.68Å; I335-F398 HydrophobicContact CD1-CG 4.06Å; I335-F398 HydrophobicContact CG1-CB 4.33Å; I335-Q445 HydrophobicContact CG2-CG 3.65Å; I335-L446 WeakPolarHBondContact CG2-O 3.04Å |
| 336 | Q | 87.3 | Confident | 75.1 | Confident | 68 Ų | 68 | 56.2 Ų | 56.2 | 32% | 0.318 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 122.6 | 174 | -166.3 | 175.6 | 48.5 | 0 | 0 | 110.2 | N393 I394 L446 M448 | Q336-N393 HydrophobicContact CG-CB 4.01Å; Q336-I394 WeakPolarHBondContact CA-O 3.43Å; Q336-L446 HydrophobicContact CB-CD1 4.39Å; Q336-L446 HydrophobicContact CG-CD1 4.18Å; Q336-L446 WeakPolarHBondContact O-CB 3.27Å; Q336-L446 PolarHBondContact O-N 2.78Å; Q336-M448 HydrophobicContact CB-CE 3.89Å |
| 337 | Y | 90.1 | Very high | 75.3 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.008 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 130 | 171.2 | -58 | -94.1 | 0 | 0 | 0 | 108.3 | I335 I339 N393 I394 A396 L399 L402 I443 Q444 Q445 | I335-Y337 HydrophobicContact CB-CE2 4.28Å; Y337-I339 VanDerWaalsContact O-CD1 3.31Å; Y337-I339 WeakPolarHBondContact O-CD1 3.46Å; Y337-N393 CarbonylContact O-C 3.59Å; Y337-N393 WeakPolarHBondContact O-CA 3.41Å; Y337-I394 PolarHBondContact N-O 3.23Å; Y337-I394 PolarHBondContact O-N 2.76Å; Y337-A396 HydrophobicContact CE2-CB 4.18Å; Y337-L399 HydrophobicContact CE1-CD1 4.38Å; Y337-L399 HydrophobicContact CE2-CD1 4.08Å; Y337-L399 HydrophobicContact CE2-CG 4.27Å; Y337-L399 PolarHBondContact OH-N 3.22Å; Y337-L402 HydrophobicContact CE1-CD2 4.33Å; Y337-I443 HydrophobicContact CD1-CG2 4.24Å; Y337-Q444 CarbonylContact C-O 3.58Å; Y337-Q444 WeakPolarHBondContact CA-O 3.41Å; Y337-Q445 HydrophobicContact CD1-CB 4.4Å; Y337-Q445 HydrophobicContact CE1-CB 4.39Å; Y337-Q445 HydrophobicContact CE1-CG 4.26Å |
| 338 | Q | 91 | Very high | 76.2 | Confident | 44 Ų | 44 | 54.5 Ų | 54.5 | 21% | 0.206 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 127.6 | 170.8 | 176.7 | 167.4 | 100.9 | 0 | 0 | 110.2 | I340 S391 F392 N393 I443 Q444 L446 | Q338-I340 HydrophobicContact CG-CG1 4.03Å; Q338-S391 VanDerWaalsContact CD-OG 3.24Å; Q338-S391 WeakPolarHBondContact CG-OG 3.12Å; Q338-F392 CarbonylContact C-O 3.54Å; Q338-F392 WeakPolarHBondContact CA-O 3.06Å; Q338-N393 WeakPolarHBondContact CB-OD1 3Å; Q338-N393 WeakPolarHBondContact CG-OD1 3.45Å; Q338-N393 PolarHBondContact NE2-OD1 3.44Å; Q338-I443 CarbonylContact O-C 3.57Å; Q338-I443 WeakPolarHBondContact O-CA 3.43Å; Q338-Q444 HydrophobicContact CB-CG 3.8Å; Q338-Q444 HydrophobicContact CG-CG 4.42Å; Q338-Q444 PolarHBondContact N-O 3.16Å; Q338-Q444 PolarHBondContact O-N 2.93Å; Q338-L446 HydrophobicContact CB-CD1 4.3Å |
| 339 | I | 92.3 | Very high | 76.7 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 112.8 | -175.5 | -55.4 | 92.3 | 0 | 0 | 0 | 107.9 | Y337 T341 I359 I361 L373 S391 F392 I394 V441 I442 I443 | Y337-I339 VanDerWaalsContact O-CD1 3.31Å; Y337-I339 WeakPolarHBondContact O-CD1 3.46Å; I339-T341 HydrophobicContact CG2-CG2 4.36Å; I339-I359 HydrophobicContact CG1-CD1 4.21Å; I339-I359 HydrophobicContact CG2-CD1 4.39Å; I339-I361 HydrophobicContact CG1-CD1 4.34Å; I339-L373 HydrophobicContact CB-CD2 4.46Å; I339-L373 HydrophobicContact CG2-CD1 4.27Å; I339-L373 HydrophobicContact CG2-CD2 4.47Å; I339-S391 WeakPolarHBondContact O-CA 3.41Å; I339-F392 PolarHBondContact N-O 3.16Å; I339-F392 WeakPolarHBondContact O-CD2 3.19Å; I339-F392 PolarHBondContact O-N 3.48Å; I339-I394 HydrophobicContact CD1-CB 3.85Å; I339-I394 HydrophobicContact CD1-CD1 3.6Å; I339-I394 HydrophobicContact CD1-CG1 3.69Å; I339-I394 HydrophobicContact CG1-CD1 4.41Å; I339-V441 HydrophobicContact CG2-CG1 3.41Å; I339-V441 VanDerWaalsContact CG2-CG1 3.41Å; I339-I442 CarbonylContact C-O 3.59Å; I339-I442 WeakPolarHBondContact CA-O 3.41Å; I339-I443 HydrophobicContact CG1-CG1 4.4Å |
| 340 | I | 90.8 | Very high | 77.3 | Confident | 34 Ų | 34 | 43 Ų | 43 | 17% | 0.174 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 104.6 | -176.3 | -50.6 | 175.1 | 0 | 0 | 0 | 108.4 | Q338 T389 S390 V441 I442 | Q338-I340 HydrophobicContact CG-CG1 4.03Å; I340-T389 HydrophobicContact CG2-CG2 3.41Å; I340-T389 VanDerWaalsContact CG2-CG2 3.41Å; I340-S390 CarbonylContact C-O 3.54Å; I340-S390 WeakPolarHBondContact CA-O 3.33Å; I340-V441 CarbonylContact O-C 3.52Å; I340-V441 WeakPolarHBondContact O-CA 3.22Å; I340-I442 HydrophobicContact CB-CB 4.26Å; I340-I442 PolarHBondContact N-O 3.48Å; I340-I442 PolarHBondContact O-N 2.82Å |
| 341 | T | 91.4 | Very high | 77.7 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 136.9 | -179.3 | 65 | 0 | 0 | 0 | 0 | 111.1 | I339 L373 F384 T389 S390 F392 W436 V441 | I339-T341 HydrophobicContact CG2-CG2 4.36Å; T341-L373 HydrophobicContact CG2-CD1 4.16Å; T341-F384 HydrophobicContact CG2-CE1 4.29Å; T341-T389 WeakPolarHBondContact O-CA 3.47Å; T341-S390 PolarHBondContact N-O 3.24Å; T341-S390 PolarHBondContact O-N 3.2Å; T341-F392 HydrophobicContact CG2-CD2 4.29Å; T341-F392 HydrophobicContact CG2-CE2 3.94Å; T341-W436 HydrophobicContact CG2-CH2 4.37Å; T341-V441 HydrophobicContact CG2-CG1 4.31Å; T341-V441 HydrophobicContact CG2-CG2 4.18Å |
| 342 | K | 87.9 | Confident | 77.2 | Confident | 32 Ų | 32 | 37.3 Ų | 37.3 | 14% | 0.139 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 106.3 | 172.7 | -174.2 | 55.9 | 161.5 | -179.3 | 0 | 112.2 | G344 G387 T389 L438 E439 Y440 | K342-G344 PolarHBondContact O-N 3.27Å; K342-G387 PolarHBondContact NZ-O 2.98Å; K342-T389 WeakPolarHBondContact CD-OG1 3.43Å; K342-T389 PolarHBondContact NZ-OG1 3.22Å; K342-L438 WeakPolarHBondContact O-CD1 3.2Å; K342-E439 HydrophobicContact CB-CB 4.28Å; K342-E439 HydrophobicContact CG-CB 4.06Å; K342-E439 WeakPolarHBondContact CG-OE2 3.26Å; K342-E439 PolarHBondContact O-N 3.46Å; K342-Y440 HydrophobicContact CB-CD1 4.01Å; K342-Y440 HydrophobicContact CB-CD2 3.96Å; K342-Y440 HydrophobicContact CB-CE1 3.68Å; K342-Y440 HydrophobicContact CB-CE2 3.65Å; K342-Y440 HydrophobicContact CB-CG 4.14Å; K342-Y440 VanDerWaalsContact CB-CZ 3.49Å; K342-Y440 HydrophobicContact CG-CD1 4.31Å; K342-Y440 HydrophobicContact CG-CE1 3.63Å; K342-Y440 HydrophobicContact CG-CE2 4.31Å; K342-Y440 PolarHBondContact N-O 2.9Å |
| 343 | T | 83.6 | Confident | 76.5 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 131.1 | 162.1 | -57.2 | 0 | 0 | 0 | 0 | 108.6 | S349 F384 S385 G387 K388 W436 | T343-S349 WeakPolarHBondContact CG2-O 3.4Å; T343-F384 WeakPolarHBondContact CB-O 3.25Å; T343-F384 WeakPolarHBondContact CG2-O 3.28Å; T343-F384 VanDerWaalsContact OG1-C 3.23Å; T343-F384 WeakPolarHBondContact OG1-CA 3.3Å; T343-F384 PolarHBondContact OG1-O 2.97Å; T343-S385 VanDerWaalsContact CB-O 3.23Å; T343-S385 WeakPolarHBondContact CB-O 3.43Å; T343-S385 WeakPolarHBondContact CG2-O 3.49Å; T343-G387 CarbonylContact O-C 3.6Å; T343-G387 VanDerWaalsContact O-CA 3.25Å; T343-G387 WeakPolarHBondContact O-CA 3.41Å; T343-K388 PolarHBondContact N-O 3.11Å; T343-W436 PolarHBondContact OG1-NE1 3.31Å |
| 344 | G | 66.5 | Low | 75.7 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | -75.7 | 175.7 | -179 | 0 | 0 | 0 | 0 | 0 | 114.5 | K342 S349 G387 Y437 E439 | K342-G344 PolarHBondContact O-N 3.27Å; G344-S349 WeakPolarHBondContact O-CB 3.34Å; G344-S349 PolarHBondContact O-OG 2.93Å; G344-G387 WeakPolarHBondContact O-CA 3.19Å; G344-G387 PolarHBondContact O-N 3.4Å; G344-Y437 PolarHBondContact N-O 2.83Å; G344-E439 VanDerWaalsContact CA-CG 3.49Å; G344-E439 WeakPolarHBondContact CA-OE1 3.45Å | ||
| 345 | K | 65.2 | Low | 75.1 | Confident | 148 Ų | 148 | 37.8 Ų | 37.8 | 64% | 0.643 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -87.6 | 5.8 | -177.3 | -69.1 | -168.1 | 174.6 | -168.7 | 0 | 115.4 | R386 E439 | K345-R386 VanDerWaalsContact O-CZ 3.31Å; K345-R386 PolarHBondContact O-NE 2.96Å; K345-R386 PolarHBondContact O-NH2 3.13Å; K345-E439 PolarHBondContact N-OE1 3Å |
| 346 | L | 57.3 | Low | 75 | Confident | 19 Ų | 19 | 39.2 Ų | 39.2 | 10% | 0.099 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -66.6 | 158.6 | -177.1 | -46.2 | -168.4 | 0 | 0 | 0 | 111.6 | S349 R386 Y437 W492 Q757 | L346-S349 VanDerWaalsContact O-CB 3.25Å; L346-S349 WeakPolarHBondContact O-CB 3.4Å; L346-S349 PolarHBondContact O-N 2.66Å; L346-S349 PolarHBondContact O-OG 3.38Å; L346-R386 WeakPolarHBondContact O-CD 3.35Å; L346-R386 PolarHBondContact O-NE 3.02Å; L346-Y437 HydrophobicContact CD1-CD1 3.69Å; L346-Y437 HydrophobicContact CD1-CD2 3.56Å; L346-Y437 HydrophobicContact CD1-CE1 3.71Å; L346-Y437 HydrophobicContact CD1-CE2 3.6Å; L346-Y437 HydrophobicContact CD1-CG 3.6Å; L346-Y437 HydrophobicContact CG-CD1 3.73Å; L346-Y437 HydrophobicContact CG-CD2 4.48Å; L346-Y437 HydrophobicContact CG-CE1 3.87Å; L346-Y437 HydrophobicContact CG-CG 4.05Å; L346-W492 HydrophobicContact CB-CZ2 4.4Å; L346-W492 HydrophobicContact CD1-CZ2 4.26Å; L346-Q757 VanDerWaalsContact CD1-OE1 3.28Å; L346-Q757 HydrophobicContact CD2-CB 4.17Å; L346-Q757 HydrophobicContact CD2-CG 4.04Å |
| 347 | W | 52.5 | Low | 75 | Confident | 121 Ų | 121 | 36 Ų | 36 | 46% | 0.458 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | 144.8 | 165.4 | 169.4 | 64.3 | 0 | 0 | 0 | 111 | S349 W492 E864 D865 | W347-S349 PolarHBondContact O-N 2.82Å; W347-W492 VanDerWaalsContact O-CH2 3.27Å; W347-W492 WeakPolarHBondContact O-CH2 3.44Å; W347-E864 WeakPolarHBondContact CB-O 3.28Å; W347-E864 PolarHBondContact NE1-O 3.49Å; W347-D865 VanDerWaalsContact NE1-CA 3.34Å |
| 348 | N | 62.9 | Low | 75 | Confident | 77 Ų | 77 | 36 Ų | 36 | 41% | 0.412 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.4 | 20.9 | -178.4 | -149.1 | 31.6 | 0 | 0 | 0 | 115.4 | G350 W492 | N348-G350 PolarHBondContact O-N 2.84Å; N348-W492 HydrophobicContact CB-CH2 4.43Å; N348-W492 WeakPolarHBondContact O-CH2 3.43Å; N348-W492 VanDerWaalsContact O-CZ3 3.27Å; N348-W492 WeakPolarHBondContact O-CZ3 3.48Å |
| 349 | S | 62.4 | Low | 75.2 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -67.2 | -19.2 | 179.3 | 49.1 | 0 | 0 | 0 | 0 | 113.1 | T343 G344 L346 W347 R386 W436 Y437 | T343-S349 WeakPolarHBondContact CG2-O 3.4Å; G344-S349 WeakPolarHBondContact O-CB 3.34Å; G344-S349 PolarHBondContact O-OG 2.93Å; L346-S349 VanDerWaalsContact O-CB 3.25Å; L346-S349 WeakPolarHBondContact O-CB 3.4Å; L346-S349 PolarHBondContact O-N 2.66Å; L346-S349 PolarHBondContact O-OG 3.38Å; W347-S349 PolarHBondContact O-N 2.82Å; S349-R386 WeakPolarHBondContact OG-CB 3.14Å; S349-R386 VanDerWaalsContact OG-CG 3.31Å; S349-R386 WeakPolarHBondContact OG-CG 3.39Å; S349-W436 WeakPolarHBondContact O-CA 3.36Å; S349-W436 VanDerWaalsContact O-CD1 3.29Å; S349-Y437 PolarHBondContact O-N 2.78Å | ||
| 350 | G | 69.2 | Low | 75.2 | Confident | 18 Ų | 18 | 36.3 Ų | 36.3 | 19% | 0.186 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -85.6 | 131.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | N348 F384 | N348-G350 PolarHBondContact O-N 2.84Å; G350-F384 WeakPolarHBondContact CA-O 3.25Å |
| 351 | M | 75.2 | Confident | 75.3 | Confident | 13 Ų | 13 | 34.7 Ų | 34.7 | 6% | 0.064 | 17% | 0.173 | C | C | . | . | P | Polyproline II helix | trans | -71.4 | 158.5 | 175.9 | -156.3 | 176 | 71.4 | 0 | 0 | 111.6 | T355 V357 F384 L409 S434 W436 | M351-T355 WeakPolarHBondContact CE-O 3.16Å; M351-T355 HydrophobicContact SD-CG2 3.86Å; M351-V357 HydrophobicContact CE-CG2 3.66Å; M351-V357 HydrophobicContact SD-CG2 3.94Å; M351-F384 HydrophobicContact CB-CB 4.28Å; M351-F384 HydrophobicContact CE-CD2 3.82Å; M351-F384 HydrophobicContact CE-CE2 4.29Å; M351-L409 HydrophobicContact SD-CD1 4.12Å; M351-L409 HydrophobicContact SD-CD2 3.53Å; M351-L409 VanDerWaalsContact SD-CD2 3.53Å; M351-L409 HydrophobicContact SD-CG 4.45Å; M351-S434 WeakPolarHBondContact CG-OG 3.07Å; M351-W436 HydrophobicContact CB-CB 4.1Å; M351-W436 HydrophobicContact CB-CG 4.34Å; M351-W436 HydrophobicContact CG-CB 4.3Å; M351-W436 HydrophobicContact SD-CB 4.45Å |
| 352 | N | 66.9 | Low | 75.2 | Confident | 56 Ų | 56 | 38 Ų | 38 | 30% | 0.299 | 19% | 0.188 | S | C | . | . | P | Polyproline II helix | trans | -73.9 | 165 | 165.1 | 71.5 | 22.3 | 0 | 0 | 0 | 111.2 | T354 T355 S434 | N352-T354 PolarHBondContact O-N 2.74Å; N352-T354 PolarHBondContact OD1-N 3.3Å; N352-T354 PolarHBondContact OD1-OG1 3.23Å; N352-T355 PolarHBondContact OD1-N 3.06Å; N352-T355 PolarHBondContact OD1-OG1 3.04Å; N352-S434 VanDerWaalsContact CG-OG 3.27Å; N352-S434 PolarHBondContact N-OG 3.18Å; N352-S434 PolarHBondContact ND2-OG 3.3Å; N352-S434 PolarHBondContact OD1-OG 3.37Å; N352-S434 VanDerWaalsContact OD1-OG 3.14Å |
| 353 | N | 63.4 | Low | 75.1 | Confident | 59 Ų | 59 | 36.6 Ų | 36.6 | 32% | 0.316 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 7.9 | -177.3 | -68 | -6.4 | 0 | 0 | 0 | 113.9 | W374 S379 | N353-W374 WeakPolarHBondContact O-CZ2 3.44Å; N353-S379 PolarHBondContact ND2-O 2.8Å |
| 354 | T | 64.8 | Low | 74.8 | Confident | 85 Ų | 85 | 39.3 Ų | 39.3 | 52% | 0.521 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -125.9 | 29.8 | -170.2 | 66.2 | 0 | 0 | 0 | 0 | 112.4 | N352 | N352-T354 PolarHBondContact O-N 2.74Å; N352-T354 PolarHBondContact OD1-N 3.3Å; N352-T354 PolarHBondContact OD1-OG1 3.23Å |
| 355 | T | 73 | Confident | 75.2 | Confident | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.018 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 127.7 | 178.3 | -52.8 | 0 | 0 | 0 | 0 | 107.7 | M351 N352 L409 E410 S434 T495 | M351-T355 WeakPolarHBondContact CE-O 3.16Å; M351-T355 HydrophobicContact SD-CG2 3.86Å; N352-T355 PolarHBondContact OD1-N 3.06Å; N352-T355 PolarHBondContact OD1-OG1 3.04Å; T355-L409 HydrophobicContact CG2-CB 3.85Å; T355-L409 HydrophobicContact CG2-CD1 4.31Å; T355-L409 HydrophobicContact CG2-CD2 4.24Å; T355-L409 HydrophobicContact CG2-CG 4.36Å; T355-E410 WeakPolarHBondContact CG2-O 3.42Å; T355-S434 WeakPolarHBondContact OG1-CB 3.2Å; T355-S434 PolarHBondContact OG1-OG 2.95Å; T355-T495 HydrophobicContact CG2-CG2 4.08Å |
| 356 | K | 80.9 | Confident | 75.9 | Confident | 44 Ų | 44 | 35.4 Ų | 35.4 | 19% | 0.191 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 138.6 | 177.8 | -67.9 | 154.7 | 179 | 152.8 | 0 | 109.7 | I372 L409 E410 D412 | K356-I372 HydrophobicContact CB-CG2 4.22Å; K356-I372 HydrophobicContact CG-CG2 4.47Å; K356-L409 WeakPolarHBondContact O-CA 3.42Å; K356-E410 HydrophobicContact CB-CB 4.13Å; K356-E410 HydrophobicContact CD-CB 4.41Å; K356-E410 VanDerWaalsContact CD-CD 3.46Å; K356-E410 HydrophobicContact CD-CG 4.06Å; K356-E410 WeakPolarHBondContact CD-OE1 3.22Å; K356-E410 WeakPolarHBondContact CE-OE1 3.13Å; K356-E410 PolarHBondContact N-O 2.93Å; K356-E410 IonicContact NZ-OE1 3.15Å; K356-E410 PolarHBondContact NZ-OE1 3.32Å; K356-E410 PolarHBondContact O-N 3.48Å; K356-D412 WeakPolarHBondContact CE-OD1 3.38Å; K356-D412 IonicContact NZ-OD1 3.92Å; K356-D412 PolarHBondContact NZ-OD1 3.4Å |
| 357 | V | 87.6 | Confident | 77.5 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 108.7 | 172.1 | -174.1 | 0 | 0 | 0 | 0 | 108.5 | M351 I372 L373 F384 I407 L409 W436 | M351-V357 HydrophobicContact CE-CG2 3.66Å; M351-V357 HydrophobicContact SD-CG2 3.94Å; V357-I372 CarbonylContact O-C 3.05Å; V357-I372 WeakPolarHBondContact O-CA 3.36Å; V357-L373 HydrophobicContact CB-CB 4.24Å; V357-L373 HydrophobicContact CG1-CB 4.38Å; V357-L373 HydrophobicContact CG1-CD1 4.14Å; V357-L373 PolarHBondContact O-N 3.09Å; V357-F384 HydrophobicContact CB-CE2 4.44Å; V357-F384 HydrophobicContact CB-CZ 4.17Å; V357-F384 HydrophobicContact CG1-CZ 4.48Å; V357-F384 HydrophobicContact CG2-CD2 4.21Å; V357-F384 HydrophobicContact CG2-CE1 4.38Å; V357-F384 HydrophobicContact CG2-CE2 3.62Å; V357-F384 HydrophobicContact CG2-CZ 3.72Å; V357-I407 HydrophobicContact CG1-CD1 4.02Å; V357-I407 HydrophobicContact CG1-CG1 4.22Å; V357-L409 HydrophobicContact CB-CD2 4.4Å; V357-L409 HydrophobicContact CG1-CD2 4.43Å; V357-L409 HydrophobicContact CG2-CD2 3.81Å; V357-W436 HydrophobicContact CG1-CH2 4.07Å; V357-W436 HydrophobicContact CG1-CZ3 3.76Å; V357-W436 HydrophobicContact CG2-CZ3 4.49Å |
| 358 | N | 90.5 | Very high | 79.3 | Confident | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 139 | 179 | -76.7 | -59.3 | 0 | 0 | 0 | 111 | T370 I407 W408 E410 | N358-T370 HydrophobicContact CB-CG2 4.19Å; N358-T370 WeakPolarHBondContact OD1-CG2 3.36Å; N358-I407 WeakPolarHBondContact O-CA 3.33Å; N358-W408 HydrophobicContact CB-CD2 3.57Å; N358-W408 HydrophobicContact CB-CE3 4.11Å; N358-W408 HydrophobicContact CB-CG 3.98Å; N358-W408 HydrophobicContact CB-CH2 4.11Å; N358-W408 HydrophobicContact CB-CZ2 3.58Å; N358-W408 HydrophobicContact CB-CZ3 4.35Å; N358-W408 PolarHBondContact N-O 3.04Å; N358-W408 PolarHBondContact ND2-NE1 3.42Å; N358-W408 PolarHBondContact O-N 3.08Å; N358-E410 WeakPolarHBondContact ND2-CB 3.38Å; N358-E410 PolarHBondContact ND2-OE2 2.88Å |
| 359 | I | 94.2 | Very high | 80.4 | Confident | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 158.2 | 170.3 | 65.9 | 158 | 0 | 0 | 0 | 113.7 | I339 I361 T370 R371 L373 I394 L405 T406 I407 | I339-I359 HydrophobicContact CG1-CD1 4.21Å; I339-I359 HydrophobicContact CG2-CD1 4.39Å; I359-I361 HydrophobicContact CD1-CD1 4.06Å; I359-I361 HydrophobicContact CD1-CG1 4.14Å; I359-T370 CarbonylContact O-C 3.57Å; I359-T370 WeakPolarHBondContact O-CA 3.46Å; I359-R371 HydrophobicContact CG1-CB 4.33Å; I359-R371 PolarHBondContact N-O 3.49Å; I359-R371 PolarHBondContact O-N 3.33Å; I359-L373 HydrophobicContact CD1-CD1 4.22Å; I359-L373 HydrophobicContact CD1-CD2 3.83Å; I359-L373 HydrophobicContact CD1-CG 4.18Å; I359-L373 HydrophobicContact CG1-CD1 4.31Å; I359-L373 HydrophobicContact CG1-CD2 4.04Å; I359-L373 HydrophobicContact CG1-CG 4Å; I359-L373 HydrophobicContact CG2-CD1 3.74Å; I359-L373 HydrophobicContact CG2-CG 4.16Å; I359-I394 HydrophobicContact CD1-CD1 3.62Å; I359-I394 HydrophobicContact CG1-CD1 4.04Å; I359-L405 HydrophobicContact CB-CD1 3.85Å; I359-L405 HydrophobicContact CD1-CD1 3.89Å; I359-L405 HydrophobicContact CG1-CD1 4.49Å; I359-L405 HydrophobicContact CG2-CD1 4.09Å; I359-T406 CarbonylContact C-O 3.5Å; I359-T406 WeakPolarHBondContact CA-O 3.3Å; I359-T406 WeakPolarHBondContact CB-O 3.35Å; I359-I407 HydrophobicContact CG2-CB 3.89Å; I359-I407 HydrophobicContact CG2-CD1 3.63Å; I359-I407 HydrophobicContact CG2-CG1 3.65Å |
| 360 | L | 92.8 | Very high | 81.7 | Confident | 48 Ų | 48 | 30.4 Ų | 30.4 | 25% | 0.251 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 120.4 | 171.7 | 170.1 | 70.5 | 0 | 0 | 0 | 108.5 | D367 G369 T406 W408 | L360-D367 HydrophobicContact CD1-CB 4.02Å; L360-G369 VanDerWaalsContact CD1-CA 3.44Å; L360-G369 WeakPolarHBondContact CD1-O 3.3Å; L360-T406 PolarHBondContact N-O 2.93Å; L360-T406 PolarHBondContact O-N 2.86Å; L360-W408 HydrophobicContact CB-CZ3 4.27Å |
| 361 | I | 93.2 | Very high | 82.6 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 132.1 | 176 | -55.8 | 161.3 | 0 | 0 | 0 | 108.3 | I339 I359 D367 T368 L399 L402 L405 I443 | I339-I361 HydrophobicContact CG1-CD1 4.34Å; I359-I361 HydrophobicContact CD1-CD1 4.06Å; I359-I361 HydrophobicContact CD1-CG1 4.14Å; I361-D367 CarbonylContact O-C 3.58Å; I361-D367 VanDerWaalsContact O-CA 3.24Å; I361-D367 WeakPolarHBondContact O-CA 3.33Å; I361-T368 HydrophobicContact CB-CG2 3.8Å; I361-T368 HydrophobicContact CD1-CG2 4.24Å; I361-T368 HydrophobicContact CG1-CG2 4.41Å; I361-T368 PolarHBondContact N-OG1 3.05Å; I361-T368 PolarHBondContact O-N 3.34Å; I361-L399 HydrophobicContact CB-CD1 4.33Å; I361-L399 HydrophobicContact CG2-CD1 3.89Å; I361-L402 HydrophobicContact CG2-CD1 4.14Å; I361-L402 HydrophobicContact CG2-CD2 3.82Å; I361-L402 HydrophobicContact CG2-CG 4.44Å; I361-L405 HydrophobicContact CG1-CD1 3.85Å; I361-I443 HydrophobicContact CD1-CD1 3.79Å; I361-I443 HydrophobicContact CG1-CD1 3.86Å; I361-I443 HydrophobicContact CG2-CD1 4.36Å |
| 362 | Q | 89.5 | Confident | 83.1 | Confident | 70 Ų | 70 | 33.3 Ų | 33.3 | 33% | 0.327 | 18% | 0.181 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 136.8 | 179.3 | -172.8 | -179.4 | 24.6 | 0 | 0 | 110.6 | K403 S404 | Q362-K403 PolarHBondContact O-N 3.19Å; Q362-S404 PolarHBondContact N-O 2.92Å; Q362-S404 PolarHBondContact O-N 3.08Å; Q362-S404 PolarHBondContact OE1-OG 3.07Å |
| 363 | G | 85 | Confident | 84 | Confident | 3 Ų | 3 | 31 Ų | 31 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | -155.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | G366 L399 R401 K403 | G363-G366 PolarHBondContact N-O 3.04Å; G363-L399 CarbonylContact C-O 3.55Å; G363-L399 WeakPolarHBondContact CA-O 3.29Å; G363-R401 CarbonylContact C-O 3.33Å; G363-R401 WeakPolarHBondContact CA-O 3.17Å; G363-K403 VanDerWaalsContact O-CD 3.29Å; G363-K403 WeakPolarHBondContact O-CD 3.35Å; G363-K403 WeakPolarHBondContact O-CE 3.37Å; G363-K403 PolarHBondContact O-NZ 3.45Å |
| 364 | D | 76.9 | Confident | 84.2 | Confident | 57 Ų | 57 | 30 Ų | 30 | 31% | 0.305 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -73.8 | -27.6 | 173.2 | -69.6 | -39.8 | 0 | 0 | 0 | 113.6 | L399 R401 K403 | D364-L399 PolarHBondContact N-O 2.77Å; D364-R401 PolarHBondContact N-O 3.29Å; D364-R401 VanDerWaalsContact N-O 3.13Å; D364-R401 WeakPolarHBondContact OD2-CB 3.1Å; D364-R401 VanDerWaalsContact OD2-CG 3.29Å; D364-R401 WeakPolarHBondContact OD2-CG 3.17Å; D364-R401 PolarHBondContact OD2-N 2.94Å; D364-K403 WeakPolarHBondContact OD1-CE 3.46Å; D364-K403 IonicContact OD1-NZ 2.76Å; D364-K403 PolarHBondContact OD1-NZ 3.45Å |
| 365 | H | 76.3 | Confident | 84 | Confident | 57 Ų | 57 | 27.7 Ų | 27.7 | 26% | 0.264 | 14% | 0.144 | S | C | . | . | S | Bend | trans | -120.3 | 48.1 | -173.6 | -54.8 | -42.9 | 0 | 0 | 0 | 111.7 | F398 L399 | H365-F398 WeakPolarHBondContact CB-O 3.43Å; H365-L399 PolarHBondContact N-O 3.1Å |
| 366 | G | 79.9 | Confident | 83 | Confident | 8 Ų | 8 | 34 Ų | 34 | 8% | 0.082 | 17% | 0.173 | C | C | . | . | trans | 90.9 | -153.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | G363 | G363-G366 PolarHBondContact N-O 3.04Š| ||
| 367 | D | 89.8 | Confident | 81.6 | Confident | 27 Ų | 27 | 37.8 Ų | 37.8 | 14% | 0.144 | 19% | 0.192 | C | C | . | . | B | Isolated β-bridge | trans | -131.6 | 168.3 | -171.1 | 62.5 | 74.1 | 0 | 0 | 0 | 113 | K214 R216 L360 I361 G369 | K214-D367 PolarHBondContact NZ-O 3.31Å; R216-D367 IonicContact CZ-OD1 3.51Å; R216-D367 IonicContact NH1-OD1 3.4Å; R216-D367 PolarHBondContact NH1-OD1 3.35Å; R216-D367 PolarHBondContact NH2-O 2.88Å; R216-D367 IonicContact NH2-OD1 2.73Å; R216-D367 PolarHBondContact NH2-OD1 2.89Å; L360-D367 HydrophobicContact CD1-CB 4.02Å; I361-D367 CarbonylContact O-C 3.58Å; I361-D367 VanDerWaalsContact O-CA 3.24Å; I361-D367 WeakPolarHBondContact O-CA 3.33Å; D367-G369 PolarHBondContact OD1-N 3.11Å |
| 368 | T | 90.7 | Very high | 80 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.204 | C | C | . | . | trans | -82.6 | -13.3 | 170.6 | 56.3 | 0 | 0 | 0 | 0 | 114 | R216 I361 R371 I394 A396 L399 | R216-T368 PolarHBondContact NE-O 2.89Å; R216-T368 PolarHBondContact NH2-O 3.26Å; I361-T368 HydrophobicContact CB-CG2 3.8Å; I361-T368 HydrophobicContact CD1-CG2 4.24Å; I361-T368 HydrophobicContact CG1-CG2 4.41Å; I361-T368 PolarHBondContact N-OG1 3.05Å; I361-T368 PolarHBondContact O-N 3.34Å; T368-R371 PolarHBondContact O-NH1 3.32Å; T368-R371 PolarHBondContact O-NH2 3.29Å; T368-I394 HydrophobicContact CG2-CG2 4.47Å; T368-A396 HydrophobicContact CG2-CB 3.87Å; T368-L399 HydrophobicContact CG2-CD1 3.76Å | ||
| 369 | G | 87 | Confident | 78.2 | Confident | 9 Ų | 9 | 41.4 Ų | 41.4 | 9% | 0.093 | 21% | 0.213 | C | C | . | . | trans | 61.9 | -177.5 | -156.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L360 D367 | L360-G369 VanDerWaalsContact CD1-CA 3.44Å; L360-G369 WeakPolarHBondContact CD1-O 3.3Å; D367-G369 PolarHBondContact OD1-N 3.11Å | ||
| 370 | T | 88.6 | Confident | 76.2 | Confident | 76 Ų | 76 | 49.9 Ų | 49.9 | 47% | 0.466 | 25% | 0.25 | S | S | . | . | trans | -64.5 | 136.4 | 176 | -51.8 | 0 | 0 | 0 | 0 | 110.6 | N358 I359 W408 | N358-T370 HydrophobicContact CB-CG2 4.19Å; N358-T370 WeakPolarHBondContact OD1-CG2 3.36Å; I359-T370 CarbonylContact O-C 3.57Å; I359-T370 WeakPolarHBondContact O-CA 3.46Å; T370-W408 HydrophobicContact CG2-CH2 3.88Å; T370-W408 HydrophobicContact CG2-CZ2 3.76Å | ||
| 371 | R | 88.8 | Confident | 74.4 | Confident | 16 Ų | 16 | 54.4 Ų | 54.4 | 6% | 0.06 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 132.9 | 174.3 | -70.9 | -75.7 | -167.6 | -64.8 | -17.4 | 109 | E296 I359 T368 I394 E395 | E296-R371 IonicContact OE1-CZ 3.52Å; E296-R371 IonicContact OE1-NH1 3.23Å; E296-R371 IonicContact OE1-NH2 2.85Å; E296-R371 PolarHBondContact OE1-NH2 3.02Å; I359-R371 HydrophobicContact CG1-CB 4.33Å; I359-R371 PolarHBondContact N-O 3.49Å; I359-R371 PolarHBondContact O-N 3.33Å; T368-R371 PolarHBondContact O-NH1 3.32Å; T368-R371 PolarHBondContact O-NH2 3.29Å; R371-I394 HydrophobicContact CB-CD1 3.53Å; R371-I394 HydrophobicContact CB-CG1 4.21Å; R371-I394 HydrophobicContact CG-CD1 3.88Å; R371-I394 HydrophobicContact CG-CG1 4.28Å; R371-I394 HydrophobicContact CG-CG2 3.93Å; R371-E395 PolarHBondContact NH2-O 2.84Å |
| 372 | I | 85.9 | Confident | 73 | Confident | 77 Ų | 77 | 59.3 Ų | 59.3 | 40% | 0.395 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 126.6 | 178.1 | -43.3 | -178.4 | 0 | 0 | 0 | 108.6 | K356 V357 W374 | K356-I372 HydrophobicContact CB-CG2 4.22Å; K356-I372 HydrophobicContact CG-CG2 4.47Å; V357-I372 CarbonylContact O-C 3.05Å; V357-I372 WeakPolarHBondContact O-CA 3.36Å; I372-W374 HydrophobicContact CG2-CB 4.4Å; I372-W374 PolarHBondContact O-N 3.02Å |
| 373 | L | 84.6 | Confident | 71.9 | Confident | 6 Ų | 6 | 56.5 Ų | 56.5 | 3% | 0.031 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -83.8 | 10.1 | 177.3 | -65.2 | -177.2 | 0 | 0 | 0 | 113.6 | I339 T341 V357 I359 F384 F392 I394 | I339-L373 HydrophobicContact CB-CD2 4.46Å; I339-L373 HydrophobicContact CG2-CD1 4.27Å; I339-L373 HydrophobicContact CG2-CD2 4.47Å; T341-L373 HydrophobicContact CG2-CD1 4.16Å; V357-L373 HydrophobicContact CB-CB 4.24Å; V357-L373 HydrophobicContact CG1-CB 4.38Å; V357-L373 HydrophobicContact CG1-CD1 4.14Å; V357-L373 PolarHBondContact O-N 3.09Å; I359-L373 HydrophobicContact CD1-CD1 4.22Å; I359-L373 HydrophobicContact CD1-CD2 3.83Å; I359-L373 HydrophobicContact CD1-CG 4.18Å; I359-L373 HydrophobicContact CG1-CD1 4.31Å; I359-L373 HydrophobicContact CG1-CD2 4.04Å; I359-L373 HydrophobicContact CG1-CG 4Å; I359-L373 HydrophobicContact CG2-CD1 3.74Å; I359-L373 HydrophobicContact CG2-CG 4.16Å; L373-F384 HydrophobicContact CB-CZ 4.31Å; L373-F392 HydrophobicContact CB-CD1 4.4Å; L373-F392 HydrophobicContact CB-CD2 4.19Å; L373-F392 HydrophobicContact CB-CE2 4.42Å; L373-F392 HydrophobicContact CB-CG 4.18Å; L373-F392 HydrophobicContact CD1-CD2 4.14Å; L373-F392 HydrophobicContact CD1-CE2 4.45Å; L373-F392 HydrophobicContact CD2-CB 3.83Å; L373-F392 HydrophobicContact CD2-CD2 4.13Å; L373-F392 HydrophobicContact CD2-CG 4.04Å; L373-F392 HydrophobicContact CG-CD2 4.4Å; L373-F392 WeakPolarHBondContact O-CD1 3.32Å; L373-F392 WeakPolarHBondContact O-CE1 3.45Å; L373-I394 HydrophobicContact CD2-CD1 4.03Å |
| 374 | W | 68.8 | Low | 71.6 | Confident | 40 Ų | 40 | 56.4 Ų | 56.4 | 15% | 0.152 | 28% | 0.284 | C | S | . | . | trans | -138.1 | 139.1 | -170.6 | -178.5 | 96.9 | 0 | 0 | 0 | 111.2 | N353 I372 E376 | N353-W374 WeakPolarHBondContact O-CZ2 3.44Å; I372-W374 HydrophobicContact CG2-CB 4.4Å; I372-W374 PolarHBondContact O-N 3.02Å; W374-E376 HydrophobicContact CH2-CG 4.09Å; W374-E376 HydrophobicContact CZ3-CG 4.45Å | ||
| 375 | N | 59.6 | Low | 71.8 | Confident | 36 Ų | 36 | 55.7 Ų | 55.7 | 19% | 0.193 | 28% | 0.284 | C | S | . | . | trans | -140.7 | 169.4 | 168.6 | 81 | -7.7 | 0 | 0 | 0 | 110.4 | E377 I378 S379 | N375-E377 PolarHBondContact ND2-OE2 3.21Å; N375-E377 PolarHBondContact O-N 3.29Å; N375-E377 PolarHBondContact OD1-N 2.72Å; N375-I378 PolarHBondContact O-N 2.88Å; N375-I378 WeakPolarHBondContact OD1-CB 3.14Å; N375-I378 WeakPolarHBondContact OD1-CD1 3.33Å; N375-I378 WeakPolarHBondContact OD1-CG1 3.44Å; N375-I378 PolarHBondContact OD1-N 2.84Å; N375-S379 PolarHBondContact O-N 3.13Å | ||
| 376 | E | 52.1 | Low | 71.9 | Confident | 135 Ų | 135 | 57.3 Ų | 57.3 | 63% | 0.631 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -25.8 | -178.1 | -61.8 | -176.1 | 158.1 | 0 | 0 | 113.5 | W374 S379 | W374-E376 HydrophobicContact CH2-CG 4.09Å; W374-E376 HydrophobicContact CZ3-CG 4.45Å; E376-S379 VanDerWaalsContact O-CB 3.31Å; E376-S379 WeakPolarHBondContact O-CB 3.41Å; E376-S379 PolarHBondContact O-N 3.1Å; E376-S379 PolarHBondContact O-OG 2.84Å |
| 377 | E | 51.8 | Low | 71.6 | Confident | 123 Ų | 123 | 57.8 Ų | 57.8 | 58% | 0.575 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -41.7 | 178.5 | -54.5 | -174.5 | 121.5 | 0 | 0 | 111.6 | N375 S379 K380 | N375-E377 PolarHBondContact ND2-OE2 3.21Å; N375-E377 PolarHBondContact O-N 3.29Å; N375-E377 PolarHBondContact OD1-N 2.72Å; E377-S379 PolarHBondContact O-N 3.02Å; E377-K380 PolarHBondContact O-N 3.45Å |
| 378 | I | 54.5 | Low | 71.3 | Confident | 50 Ų | 50 | 59.2 Ų | 59.2 | 26% | 0.256 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -65.6 | -24.2 | 174.9 | -71.6 | 167.4 | 0 | 0 | 0 | 111.8 | N375 K380 M381 T383 F392 | N375-I378 PolarHBondContact O-N 2.88Å; N375-I378 WeakPolarHBondContact OD1-CB 3.14Å; N375-I378 WeakPolarHBondContact OD1-CD1 3.33Å; N375-I378 WeakPolarHBondContact OD1-CG1 3.44Å; N375-I378 PolarHBondContact OD1-N 2.84Å; I378-K380 PolarHBondContact O-N 2.8Å; I378-M381 PolarHBondContact O-N 3.49Å; I378-T383 HydrophobicContact CG2-CG2 3.7Å; I378-T383 VanDerWaalsContact CG2-OG1 3.32Å; I378-T383 WeakPolarHBondContact CG2-OG1 3.35Å; I378-T383 PolarHBondContact O-OG1 2.77Å; I378-F392 HydrophobicContact CD1-CD1 4.28Å; I378-F392 HydrophobicContact CD1-CE1 4.4Å; I378-F392 HydrophobicContact CG2-CE1 4.36Å |
| 379 | S | 51.3 | Low | 71.1 | Confident | 31 Ų | 31 | 62.6 Ų | 62.6 | 22% | 0.217 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -56.3 | -33.6 | 178.8 | 79.8 | 0 | 0 | 0 | 0 | 113 | N353 N375 E376 E377 M381 | N353-S379 PolarHBondContact ND2-O 2.8Å; N375-S379 PolarHBondContact O-N 3.13Å; E376-S379 VanDerWaalsContact O-CB 3.31Å; E376-S379 WeakPolarHBondContact O-CB 3.41Å; E376-S379 PolarHBondContact O-N 3.1Å; E376-S379 PolarHBondContact O-OG 2.84Å; E377-S379 PolarHBondContact O-N 3.02Å; S379-M381 PolarHBondContact O-N 3.23Å; S379-M381 VanDerWaalsContact O-N 3.08Å |
| 380 | K | 52.9 | Low | 70.9 | Confident | 179 Ų | 179 | 62.5 Ų | 62.5 | 78% | 0.778 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -67 | -9.6 | -177.4 | -64.3 | 171.8 | -176.1 | 166.5 | 0 | 114 | E377 I378 | E377-K380 PolarHBondContact O-N 3.45Å; I378-K380 PolarHBondContact O-N 2.8Å |
| 381 | M | 56.1 | Low | 70.9 | Confident | 143 Ų | 143 | 61.8 Ų | 61.8 | 70% | 0.704 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -105.5 | 7.2 | -173.5 | -66.2 | -163.6 | 173.5 | 0 | 0 | 115.2 | I378 S379 T383 K388 | I378-M381 PolarHBondContact O-N 3.49Å; S379-M381 PolarHBondContact O-N 3.23Å; S379-M381 VanDerWaalsContact O-N 3.08Å; M381-T383 PolarHBondContact O-N 3.33Å; M381-K388 PolarHBondContact O-NZ 3.3Å |
| 382 | N | 63.8 | Low | 70.8 | Confident | 102 Ų | 102 | 61.8 Ų | 61.8 | 55% | 0.545 | 32% | 0.315 | S | S | . | . | trans | 50.9 | 56.2 | -171.5 | -67.2 | -18 | 0 | 0 | 0 | 111.1 | S385 K388 | N382-S385 WeakPolarHBondContact O-CB 3.45Å; N382-S385 PolarHBondContact O-OG 3.4Å; N382-S385 VanDerWaalsContact O-OG 3.06Å; N382-K388 WeakPolarHBondContact O-CD 3.48Å; N382-K388 PolarHBondContact O-NZ 2.73Å | ||
| 383 | T | 66.5 | Low | 70.9 | Confident | 12 Ų | 12 | 62 Ų | 62 | 7% | 0.074 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | 147 | -177.5 | -59.2 | 0 | 0 | 0 | 0 | 110.2 | I378 M381 S385 F392 | I378-T383 HydrophobicContact CG2-CG2 3.7Å; I378-T383 VanDerWaalsContact CG2-OG1 3.32Å; I378-T383 WeakPolarHBondContact CG2-OG1 3.35Å; I378-T383 PolarHBondContact O-OG1 2.77Å; M381-T383 PolarHBondContact O-N 3.33Å; T383-S385 PolarHBondContact O-N 3.35Å; T383-F392 HydrophobicContact CG2-CE1 3.87Å; T383-F392 HydrophobicContact CG2-CZ 3.65Å |
| 384 | F | 78.5 | Confident | 71.1 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 0% | 0.004 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 10.1 | -170 | -46.7 | -70.7 | 0 | 0 | 0 | 117.2 | T341 T343 G350 M351 V357 L373 S390 F392 W436 | T341-F384 HydrophobicContact CG2-CE1 4.29Å; T343-F384 WeakPolarHBondContact CB-O 3.25Å; T343-F384 WeakPolarHBondContact CG2-O 3.28Å; T343-F384 VanDerWaalsContact OG1-C 3.23Å; T343-F384 WeakPolarHBondContact OG1-CA 3.3Å; T343-F384 PolarHBondContact OG1-O 2.97Å; G350-F384 WeakPolarHBondContact CA-O 3.25Å; M351-F384 HydrophobicContact CB-CB 4.28Å; M351-F384 HydrophobicContact CE-CD2 3.82Å; M351-F384 HydrophobicContact CE-CE2 4.29Å; V357-F384 HydrophobicContact CB-CE2 4.44Å; V357-F384 HydrophobicContact CB-CZ 4.17Å; V357-F384 HydrophobicContact CG1-CZ 4.48Å; V357-F384 HydrophobicContact CG2-CD2 4.21Å; V357-F384 HydrophobicContact CG2-CE1 4.38Å; V357-F384 HydrophobicContact CG2-CE2 3.62Å; V357-F384 HydrophobicContact CG2-CZ 3.72Å; L373-F384 HydrophobicContact CB-CZ 4.31Å; F384-S390 PolarHBondContact N-OG 3.28Å; F384-F392 HydrophobicContact CD1-CZ 4.38Å; F384-F392 AromaticContact CE1-CE2 3.56Å; F384-F392 HydrophobicContact CE1-CE2 3.56Å; F384-F392 AromaticContact CE1-CZ 3.45Å; F384-F392 HydrophobicContact CE1-CZ 3.45Å; F384-F392 VanDerWaalsContact CE1-CZ 3.45Å; F384-F392 HydrophobicContact CE2-CZ 4.06Å; F384-F392 HydrophobicContact CZ-CE1 4.08Å; F384-F392 AromaticContact CZ-CE2 3.71Å; F384-F392 HydrophobicContact CZ-CE2 3.71Å; F384-F392 AromaticContact CZ-CZ 3.25Å; F384-F392 HydrophobicContact CZ-CZ 3.25Å; F384-W436 AromaticContact CD1-CE2 3.83Å; F384-W436 HydrophobicContact CD1-CH2 4.08Å; F384-W436 AromaticContact CD1-CZ2 3.41Å; F384-W436 HydrophobicContact CD1-CZ2 3.41Å; F384-W436 VanDerWaalsContact CD1-CZ2 3.41Å; F384-W436 HydrophobicContact CE1-CH2 4Å; F384-W436 AromaticContact CE1-CZ2 3.77Å; F384-W436 HydrophobicContact CE1-CZ2 3.77Å; F384-W436 HydrophobicContact CG-CZ2 4.31Å |
| 385 | S | 79.6 | Confident | 72.1 | Confident | 42 Ų | 42 | 62 Ų | 62 | 29% | 0.294 | 32% | 0.318 | S | S | . | . | trans | -61.8 | 160.7 | 177.5 | 63 | 0 | 0 | 0 | 0 | 114.2 | T343 N382 T383 G387 K388 | T343-S385 VanDerWaalsContact CB-O 3.23Å; T343-S385 WeakPolarHBondContact CB-O 3.43Å; T343-S385 WeakPolarHBondContact CG2-O 3.49Å; N382-S385 WeakPolarHBondContact O-CB 3.45Å; N382-S385 PolarHBondContact O-OG 3.4Å; N382-S385 VanDerWaalsContact O-OG 3.06Å; T383-S385 PolarHBondContact O-N 3.35Å; S385-G387 PolarHBondContact O-N 2.96Å; S385-K388 WeakPolarHBondContact O-CB 3.44Å; S385-K388 PolarHBondContact O-N 2.8Å; S385-K388 WeakPolarHBondContact OG-CB 3.43Å; S385-K388 WeakPolarHBondContact OG-CD 3.38Å | ||
| 386 | R | 78.4 | Confident | 73.5 | Confident | 91 Ų | 91 | 60.3 Ų | 60.3 | 34% | 0.343 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -48.2 | 124.9 | -176.1 | 172.5 | 168.4 | -175.6 | -128.3 | -1.9 | 112.3 | K345 L346 S349 K388 E864 | K345-R386 VanDerWaalsContact O-CZ 3.31Å; K345-R386 PolarHBondContact O-NE 2.96Å; K345-R386 PolarHBondContact O-NH2 3.13Å; L346-R386 WeakPolarHBondContact O-CD 3.35Å; L346-R386 PolarHBondContact O-NE 3.02Å; S349-R386 WeakPolarHBondContact OG-CB 3.14Å; S349-R386 VanDerWaalsContact OG-CG 3.31Å; S349-R386 WeakPolarHBondContact OG-CG 3.39Å; R386-K388 PolarHBondContact O-N 2.86Å; R386-E864 IonicContact CZ-OE1 2.78Å; R386-E864 IonicContact CZ-OE2 2.88Å; R386-E864 IonicContact NH1-OE1 2.75Å; R386-E864 PolarHBondContact NH1-OE1 3.06Å; R386-E864 IonicContact NH1-OE2 2.66Å; R386-E864 PolarHBondContact NH1-OE2 3.02Å; R386-E864 IonicContact NH2-OE1 3.8Å |
| 387 | G | 74.6 | Confident | 75.3 | Confident | 18 Ų | 18 | 54.2 Ų | 54.2 | 19% | 0.186 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | -2.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | K342 T343 G344 S385 | K342-G387 PolarHBondContact NZ-O 2.98Å; T343-G387 CarbonylContact O-C 3.6Å; T343-G387 VanDerWaalsContact O-CA 3.25Å; T343-G387 WeakPolarHBondContact O-CA 3.41Å; G344-G387 WeakPolarHBondContact O-CA 3.19Å; G344-G387 PolarHBondContact O-N 3.4Å; S385-G387 PolarHBondContact O-N 2.96Å |
| 388 | K | 83.6 | Confident | 76.9 | Confident | 57 Ų | 57 | 50.3 Ų | 50.3 | 25% | 0.248 | 26% | 0.262 | C | S | . | . | trans | -75.5 | 143.9 | -177.3 | -175.1 | 173.6 | 168.6 | -177.4 | 0 | 111.7 | T343 M381 N382 S385 R386 | T343-K388 PolarHBondContact N-O 3.11Å; M381-K388 PolarHBondContact O-NZ 3.3Å; N382-K388 WeakPolarHBondContact O-CD 3.48Å; N382-K388 PolarHBondContact O-NZ 2.73Å; S385-K388 WeakPolarHBondContact O-CB 3.44Å; S385-K388 PolarHBondContact O-N 2.8Å; S385-K388 WeakPolarHBondContact OG-CB 3.43Å; S385-K388 WeakPolarHBondContact OG-CD 3.38Å; R386-K388 PolarHBondContact O-N 2.86Å | ||
| 389 | T | 85.6 | Confident | 78.4 | Confident | 70 Ų | 70 | 47.9 Ų | 47.9 | 43% | 0.429 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 129 | 163 | -47.8 | 0 | 0 | 0 | 0 | 107.8 | I340 T341 K342 | I340-T389 HydrophobicContact CG2-CG2 3.41Å; I340-T389 VanDerWaalsContact CG2-CG2 3.41Å; T341-T389 WeakPolarHBondContact O-CA 3.47Å; K342-T389 WeakPolarHBondContact CD-OG1 3.43Å; K342-T389 PolarHBondContact NZ-OG1 3.22Å |
| 390 | S | 84.4 | Confident | 79.6 | Confident | 7 Ų | 7 | 46.8 Ų | 46.8 | 5% | 0.049 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 150.2 | 177 | -49.2 | 0 | 0 | 0 | 0 | 109.6 | I340 T341 F384 | I340-S390 CarbonylContact C-O 3.54Å; I340-S390 WeakPolarHBondContact CA-O 3.33Å; T341-S390 PolarHBondContact N-O 3.24Å; T341-S390 PolarHBondContact O-N 3.2Å; F384-S390 PolarHBondContact N-OG 3.28Å |
| 391 | S | 86.9 | Confident | 80.8 | Confident | 62 Ų | 62 | 42.8 Ų | 42.8 | 43% | 0.434 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 137 | -176.1 | -173.4 | 0 | 0 | 0 | 0 | 110.8 | Q338 I339 | Q338-S391 VanDerWaalsContact CD-OG 3.24Å; Q338-S391 WeakPolarHBondContact CG-OG 3.12Å; I339-S391 WeakPolarHBondContact O-CA 3.41Å |
| 392 | F | 88 | Confident | 82.3 | Confident | 16 Ų | 16 | 36.3 Ų | 36.3 | 7% | 0.07 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 157.6 | -175.8 | -46.7 | -78.1 | 0 | 0 | 0 | 109.4 | Q338 I339 T341 L373 I378 T383 F384 | Q338-F392 CarbonylContact C-O 3.54Å; Q338-F392 WeakPolarHBondContact CA-O 3.06Å; I339-F392 PolarHBondContact N-O 3.16Å; I339-F392 WeakPolarHBondContact O-CD2 3.19Å; I339-F392 PolarHBondContact O-N 3.48Å; T341-F392 HydrophobicContact CG2-CD2 4.29Å; T341-F392 HydrophobicContact CG2-CE2 3.94Å; L373-F392 HydrophobicContact CB-CD1 4.4Å; L373-F392 HydrophobicContact CB-CD2 4.19Å; L373-F392 HydrophobicContact CB-CE2 4.42Å; L373-F392 HydrophobicContact CB-CG 4.18Å; L373-F392 HydrophobicContact CD1-CD2 4.14Å; L373-F392 HydrophobicContact CD1-CE2 4.45Å; L373-F392 HydrophobicContact CD2-CB 3.83Å; L373-F392 HydrophobicContact CD2-CD2 4.13Å; L373-F392 HydrophobicContact CD2-CG 4.04Å; L373-F392 HydrophobicContact CG-CD2 4.4Å; L373-F392 WeakPolarHBondContact O-CD1 3.32Å; L373-F392 WeakPolarHBondContact O-CE1 3.45Å; I378-F392 HydrophobicContact CD1-CD1 4.28Å; I378-F392 HydrophobicContact CD1-CE1 4.4Å; I378-F392 HydrophobicContact CG2-CE1 4.36Å; T383-F392 HydrophobicContact CG2-CE1 3.87Å; T383-F392 HydrophobicContact CG2-CZ 3.65Å; F384-F392 HydrophobicContact CD1-CZ 4.38Å; F384-F392 AromaticContact CE1-CE2 3.56Å; F384-F392 HydrophobicContact CE1-CE2 3.56Å; F384-F392 AromaticContact CE1-CZ 3.45Å; F384-F392 HydrophobicContact CE1-CZ 3.45Å; F384-F392 VanDerWaalsContact CE1-CZ 3.45Å; F384-F392 HydrophobicContact CE2-CZ 4.06Å; F384-F392 HydrophobicContact CZ-CE1 4.08Å; F384-F392 AromaticContact CZ-CE2 3.71Å; F384-F392 HydrophobicContact CZ-CE2 3.71Å; F384-F392 AromaticContact CZ-CZ 3.25Å; F384-F392 HydrophobicContact CZ-CZ 3.25Å |
| 393 | N | 87.5 | Confident | 83.2 | Confident | 82 Ų | 82 | 36.3 Ų | 36.3 | 44% | 0.439 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 140.6 | 176.8 | -57.2 | -38.8 | 0 | 0 | 0 | 109.8 | Q336 Y337 Q338 | Q336-N393 HydrophobicContact CG-CB 4.01Å; Y337-N393 CarbonylContact O-C 3.59Å; Y337-N393 WeakPolarHBondContact O-CA 3.41Å; Q338-N393 WeakPolarHBondContact CB-OD1 3Å; Q338-N393 WeakPolarHBondContact CG-OD1 3.45Å; Q338-N393 PolarHBondContact NE2-OD1 3.44Å |
| 394 | I | 89.5 | Confident | 84.3 | Confident | 10 Ų | 10 | 36 Ų | 36 | 5% | 0.051 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 134.6 | 174.4 | -73 | 169.6 | 0 | 0 | 0 | 109.4 | Q336 Y337 I339 I359 T368 R371 L373 | Q336-I394 WeakPolarHBondContact CA-O 3.43Å; Y337-I394 PolarHBondContact N-O 3.23Å; Y337-I394 PolarHBondContact O-N 2.76Å; I339-I394 HydrophobicContact CD1-CB 3.85Å; I339-I394 HydrophobicContact CD1-CD1 3.6Å; I339-I394 HydrophobicContact CD1-CG1 3.69Å; I339-I394 HydrophobicContact CG1-CD1 4.41Å; I359-I394 HydrophobicContact CD1-CD1 3.62Å; I359-I394 HydrophobicContact CG1-CD1 4.04Å; T368-I394 HydrophobicContact CG2-CG2 4.47Å; R371-I394 HydrophobicContact CB-CD1 3.53Å; R371-I394 HydrophobicContact CB-CG1 4.21Å; R371-I394 HydrophobicContact CG-CD1 3.88Å; R371-I394 HydrophobicContact CG-CG1 4.28Å; R371-I394 HydrophobicContact CG-CG2 3.93Å; L373-I394 HydrophobicContact CD2-CD1 4.03Å |
| 395 | E | 88.7 | Confident | 85 | Confident | 36 Ų | 36 | 35.9 Ų | 35.9 | 17% | 0.168 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 133.1 | 167.9 | -174.1 | 167.2 | -121.5 | 0 | 0 | 110.9 | K282 R295 V334 R371 | K282-E395 IonicContact NZ-OE1 2.78Å; K282-E395 PolarHBondContact NZ-OE1 2.98Å; K282-E395 IonicContact NZ-OE2 2.72Å; K282-E395 PolarHBondContact NZ-OE2 3.28Å; R295-E395 IonicContact CZ-OE2 3.26Å; R295-E395 IonicContact NH1-OE2 2.63Å; R295-E395 PolarHBondContact NH1-OE2 3.04Å; V334-E395 HydrophobicContact CG1-CG 3.25Å; V334-E395 WeakPolarHBondContact CG1-OE1 3.44Å; R371-E395 PolarHBondContact NH2-O 2.84Å |
| 396 | A | 90.2 | Very high | 85.7 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 158.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | I335 Y337 T368 | I335-A396 PolarHBondContact N-O 3.47Å; I335-A396 PolarHBondContact O-N 2.97Å; Y337-A396 HydrophobicContact CE2-CB 4.18Å; T368-A396 HydrophobicContact CG2-CB 3.87Å |
| 397 | V | 88.5 | Confident | 86.4 | Confident | 7 Ų | 7 | 30.4 Ų | 30.4 | 4% | 0.042 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 145.1 | 169 | 171.3 | 0 | 0 | 0 | 0 | 109.7 | K214 E296 A298 A332 V334 L399 | K214-V397 HydrophobicContact CB-CG2 4.26Å; K214-V397 HydrophobicContact CD-CB 3.76Å; K214-V397 HydrophobicContact CD-CG1 4.26Å; K214-V397 HydrophobicContact CD-CG2 3.85Å; E296-V397 HydrophobicContact CB-CG2 3.9Å; E296-V397 PolarHBondContact OE2-N 2.77Å; E296-V397 VanDerWaalsContact OE2-N 3.16Å; A298-V397 HydrophobicContact CB-CG1 3.89Å; A298-V397 HydrophobicContact CB-CG2 3.93Å; A332-V397 HydrophobicContact CB-CG1 3.93Å; V334-V397 HydrophobicContact CG2-CG2 4.09Å; V397-L399 WeakPolarHBondContact O-CD2 3.32Å; V397-L399 WeakPolarHBondContact O-CG 3.47Å; V397-L399 PolarHBondContact O-N 2.75Å |
| 398 | F | 85.9 | Confident | 87.2 | Confident | 40 Ų | 40 | 31.5 Ų | 31.5 | 18% | 0.175 | 16% | 0.158 | C | C | . | . | trans | -50.5 | 123.3 | -176.6 | 178 | -125.2 | 0 | 0 | 0 | 113 | L304 P333 I335 H365 G400 | L304-F398 HydrophobicContact CD1-CD1 3.83Å; L304-F398 HydrophobicContact CD1-CE1 3.56Å; P333-F398 HydrophobicContact CG-CB 4.2Å; P333-F398 WeakPolarHBondContact O-CB 3.35Å; P333-F398 PolarHBondContact O-N 3.4Å; I335-F398 HydrophobicContact CD1-CB 3.96Å; I335-F398 HydrophobicContact CD1-CD2 3.68Å; I335-F398 HydrophobicContact CD1-CG 4.06Å; I335-F398 HydrophobicContact CG1-CB 4.33Å; H365-F398 WeakPolarHBondContact CB-O 3.43Å; F398-G400 VanDerWaalsContact CZ-CA 3.48Å | ||
| 399 | L | 85.5 | Confident | 87.3 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -94.4 | -4.3 | -170.7 | -58.7 | 173.4 | 0 | 0 | 0 | 113.2 | Y337 I361 G363 D364 H365 T368 V397 L402 | Y337-L399 HydrophobicContact CE1-CD1 4.38Å; Y337-L399 HydrophobicContact CE2-CD1 4.08Å; Y337-L399 HydrophobicContact CE2-CG 4.27Å; Y337-L399 PolarHBondContact OH-N 3.22Å; I361-L399 HydrophobicContact CB-CD1 4.33Å; I361-L399 HydrophobicContact CG2-CD1 3.89Å; G363-L399 CarbonylContact C-O 3.55Å; G363-L399 WeakPolarHBondContact CA-O 3.29Å; D364-L399 PolarHBondContact N-O 2.77Å; H365-L399 PolarHBondContact N-O 3.1Å; T368-L399 HydrophobicContact CG2-CD1 3.76Å; V397-L399 WeakPolarHBondContact O-CD2 3.32Å; V397-L399 WeakPolarHBondContact O-CG 3.47Å; V397-L399 PolarHBondContact O-N 2.75Å; L399-L402 HydrophobicContact CB-CD2 3.99Å; L399-L402 HydrophobicContact CD1-CD2 4.02Å | ||
| 400 | G | 78.1 | Confident | 87.1 | Confident | 8 Ų | 8 | 27.9 Ų | 27.9 | 8% | 0.082 | 14% | 0.137 | C | C | . | . | trans | 70.2 | -142.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112 | F398 | F398-G400 VanDerWaalsContact CZ-CA 3.48Š| ||
| 401 | R | 77.9 | Confident | 86.4 | Confident | 94 Ų | 94 | 28.6 Ų | 28.6 | 36% | 0.355 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -75.8 | 136.2 | 174.4 | -50.9 | 174.7 | -160.3 | 166.1 | 10.7 | 109.4 | R313 G363 D364 K403 Y485 | R313-R401 PolarHBondContact O-NH2 2.72Å; G363-R401 CarbonylContact C-O 3.33Å; G363-R401 WeakPolarHBondContact CA-O 3.17Å; D364-R401 PolarHBondContact N-O 3.29Å; D364-R401 VanDerWaalsContact N-O 3.13Å; D364-R401 WeakPolarHBondContact OD2-CB 3.1Å; D364-R401 VanDerWaalsContact OD2-CG 3.29Å; D364-R401 WeakPolarHBondContact OD2-CG 3.17Å; D364-R401 PolarHBondContact OD2-N 2.94Å; R401-K403 PolarHBondContact O-N 3.12Å; R401-Y485 WeakPolarHBondContact CA-OH 2.98Å |
| 402 | L | 86.3 | Confident | 85.3 | Confident | 7 Ų | 7 | 29 Ų | 29 | 4% | 0.037 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 126.8 | 178.4 | -53.2 | -172.2 | 0 | 0 | 0 | 109.6 | Y337 I361 L399 I443 Y485 F487 | Y337-L402 HydrophobicContact CE1-CD2 4.33Å; I361-L402 HydrophobicContact CG2-CD1 4.14Å; I361-L402 HydrophobicContact CG2-CD2 3.82Å; I361-L402 HydrophobicContact CG2-CG 4.44Å; L399-L402 HydrophobicContact CB-CD2 3.99Å; L399-L402 HydrophobicContact CD1-CD2 4.02Å; L402-I443 HydrophobicContact CD1-CB 3.95Å; L402-I443 HydrophobicContact CD1-CD1 4.19Å; L402-I443 HydrophobicContact CD1-CG2 3.68Å; L402-Y485 HydrophobicContact CB-CD1 4.07Å; L402-Y485 HydrophobicContact CB-CD2 4.22Å; L402-Y485 HydrophobicContact CB-CE1 4.18Å; L402-Y485 HydrophobicContact CB-CE2 4.33Å; L402-Y485 HydrophobicContact CB-CG 4.09Å; L402-Y485 HydrophobicContact CD1-CD2 3.64Å; L402-Y485 HydrophobicContact CD1-CE2 4.13Å; L402-Y485 HydrophobicContact CD1-CG 4.03Å; L402-Y485 HydrophobicContact CG-CD2 3.81Å; L402-Y485 HydrophobicContact CG-CE2 3.82Å; L402-Y485 HydrophobicContact CG-CG 4.18Å; L402-F487 HydrophobicContact CB-CZ 4.11Å; L402-F487 HydrophobicContact CD1-CE2 4.46Å; L402-F487 HydrophobicContact CD1-CZ 4.41Å |
| 403 | K | 82.6 | Confident | 83.5 | Confident | 102 Ų | 102 | 34.3 Ų | 34.3 | 44% | 0.443 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | -38 | 179.9 | -65.9 | 176.6 | -174.9 | 154.8 | 0 | 112 | Q362 G363 D364 R401 P508 | Q362-K403 PolarHBondContact O-N 3.19Å; G363-K403 VanDerWaalsContact O-CD 3.29Å; G363-K403 WeakPolarHBondContact O-CD 3.35Å; G363-K403 WeakPolarHBondContact O-CE 3.37Å; G363-K403 PolarHBondContact O-NZ 3.45Å; D364-K403 WeakPolarHBondContact OD1-CE 3.46Å; D364-K403 IonicContact OD1-NZ 2.76Å; D364-K403 PolarHBondContact OD1-NZ 3.45Å; R401-K403 PolarHBondContact O-N 3.12Å; K403-P508 WeakPolarHBondContact O-CD 3.29Å |
| 404 | S | 90.5 | Very high | 81.5 | Confident | 5 Ų | 5 | 38 Ų | 38 | 4% | 0.035 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.5 | 154.1 | -176.2 | 54.8 | 0 | 0 | 0 | 0 | 113.2 | Q362 K505 L506 | Q362-S404 PolarHBondContact N-O 2.92Å; Q362-S404 PolarHBondContact O-N 3.08Å; Q362-S404 PolarHBondContact OE1-OG 3.07Å; S404-K505 WeakPolarHBondContact OG-CE 3.43Å; S404-L506 CarbonylContact C-O 3.47Å; S404-L506 WeakPolarHBondContact CA-O 3.06Å; S404-L506 VanDerWaalsContact CB-O 3.28Å; S404-L506 WeakPolarHBondContact CB-O 3.35Å |
| 405 | L | 93.4 | Very high | 79.2 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 116.9 | 170 | 166.4 | 67.7 | 0 | 0 | 0 | 107.9 | I359 I361 V441 I443 F487 L506 | I359-L405 HydrophobicContact CB-CD1 3.85Å; I359-L405 HydrophobicContact CD1-CD1 3.89Å; I359-L405 HydrophobicContact CG1-CD1 4.49Å; I359-L405 HydrophobicContact CG2-CD1 4.09Å; I361-L405 HydrophobicContact CG1-CD1 3.85Å; L405-V441 HydrophobicContact CD2-CB 3.67Å; L405-V441 HydrophobicContact CD2-CG1 3.75Å; L405-V441 HydrophobicContact CD2-CG2 3.83Å; L405-I443 HydrophobicContact CB-CD1 4.43Å; L405-I443 HydrophobicContact CD1-CD1 4.28Å; L405-I443 HydrophobicContact CD2-CD1 4.28Å; L405-F487 HydrophobicContact CB-CD1 3.63Å; L405-F487 HydrophobicContact CB-CD2 4.37Å; L405-F487 HydrophobicContact CB-CE1 3.75Å; L405-F487 HydrophobicContact CB-CE2 4.49Å; L405-F487 HydrophobicContact CB-CG 3.96Å; L405-F487 HydrophobicContact CB-CZ 4.2Å; L405-F487 HydrophobicContact CD2-CB 4.16Å; L405-F487 HydrophobicContact CD2-CD2 4.32Å; L405-F487 HydrophobicContact CD2-CG 4.12Å; L405-L506 HydrophobicContact CD2-CD1 4.43Å; L405-L506 PolarHBondContact N-O 2.93Å; L405-L506 WeakPolarHBondContact O-CB 3.39Å; L405-L506 PolarHBondContact O-N 2.83Å |
| 406 | T | 93.5 | Very high | 76.6 | Confident | 17 Ų | 17 | 46.6 Ų | 46.6 | 10% | 0.104 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 139.2 | 167.1 | -48.9 | 0 | 0 | 0 | 0 | 109.6 | I359 L360 W408 P503 I504 | I359-T406 CarbonylContact C-O 3.5Å; I359-T406 WeakPolarHBondContact CA-O 3.3Å; I359-T406 WeakPolarHBondContact CB-O 3.35Å; L360-T406 PolarHBondContact N-O 2.93Å; L360-T406 PolarHBondContact O-N 2.86Å; T406-W408 HydrophobicContact CG2-CE3 4.09Å; T406-W408 HydrophobicContact CG2-CZ3 4.07Å; T406-P503 HydrophobicContact CG2-CB 3.7Å; T406-I504 CarbonylContact C-O 3.5Å; T406-I504 VanDerWaalsContact CA-O 3.24Å; T406-I504 WeakPolarHBondContact CA-O 3.45Å |
| 407 | I | 93.2 | Very high | 73.8 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 139.7 | -179.6 | -174.7 | 156.6 | 0 | 0 | 0 | 112.3 | V357 N358 I359 W436 L438 L493 I504 L506 | V357-I407 HydrophobicContact CG1-CD1 4.02Å; V357-I407 HydrophobicContact CG1-CG1 4.22Å; N358-I407 WeakPolarHBondContact O-CA 3.33Å; I359-I407 HydrophobicContact CG2-CB 3.89Å; I359-I407 HydrophobicContact CG2-CD1 3.63Å; I359-I407 HydrophobicContact CG2-CG1 3.65Å; I407-W436 HydrophobicContact CD1-CH2 3.85Å; I407-W436 HydrophobicContact CD1-CZ3 3.71Å; I407-W436 HydrophobicContact CG1-CZ3 4.31Å; I407-L438 HydrophobicContact CD1-CD2 3.85Å; I407-L438 HydrophobicContact CG2-CD2 4.49Å; I407-L493 HydrophobicContact CG1-CD2 4.26Å; I407-L493 HydrophobicContact CG2-CD2 4.41Å; I407-I504 HydrophobicContact CG2-CB 4.22Å; I407-I504 HydrophobicContact CG2-CG2 4.41Å; I407-I504 PolarHBondContact N-O 2.92Å; I407-I504 PolarHBondContact O-N 2.93Å; I407-L506 HydrophobicContact CG2-CD1 4.31Å |
| 408 | W | 91.1 | Very high | 71 | Confident | 42 Ų | 42 | 61 Ų | 61 | 16% | 0.159 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 167.7 | 174.6 | 62.9 | 107.4 | 0 | 0 | 0 | 113.3 | N358 L360 T370 T406 S501 P503 | N358-W408 HydrophobicContact CB-CD2 3.57Å; N358-W408 HydrophobicContact CB-CE3 4.11Å; N358-W408 HydrophobicContact CB-CG 3.98Å; N358-W408 HydrophobicContact CB-CH2 4.11Å; N358-W408 HydrophobicContact CB-CZ2 3.58Å; N358-W408 HydrophobicContact CB-CZ3 4.35Å; N358-W408 PolarHBondContact N-O 3.04Å; N358-W408 PolarHBondContact ND2-NE1 3.42Å; N358-W408 PolarHBondContact O-N 3.08Å; L360-W408 HydrophobicContact CB-CZ3 4.27Å; T370-W408 HydrophobicContact CG2-CH2 3.88Å; T370-W408 HydrophobicContact CG2-CZ2 3.76Å; T406-W408 HydrophobicContact CG2-CE3 4.09Å; T406-W408 HydrophobicContact CG2-CZ3 4.07Å; W408-S501 WeakPolarHBondContact CB-O 3.22Å; W408-P503 HydrophobicContact CB-CG 4.4Å; W408-P503 HydrophobicContact CD2-CB 4.47Å; W408-P503 HydrophobicContact CD2-CG 4.31Å; W408-P503 HydrophobicContact CE3-CB 4.21Å; W408-P503 HydrophobicContact CE3-CG 4.49Å; W408-P503 HydrophobicContact CG-CG 4.31Å |
| 409 | L | 87.3 | Confident | 68.3 | Low | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 144.8 | 173 | -59.5 | -176.3 | 0 | 0 | 0 | 110.9 | M351 T355 K356 V357 W436 L493 T495 N500 S501 | M351-L409 HydrophobicContact SD-CD1 4.12Å; M351-L409 HydrophobicContact SD-CD2 3.53Å; M351-L409 VanDerWaalsContact SD-CD2 3.53Å; M351-L409 HydrophobicContact SD-CG 4.45Å; T355-L409 HydrophobicContact CG2-CB 3.85Å; T355-L409 HydrophobicContact CG2-CD1 4.31Å; T355-L409 HydrophobicContact CG2-CD2 4.24Å; T355-L409 HydrophobicContact CG2-CG 4.36Å; K356-L409 WeakPolarHBondContact O-CA 3.42Å; V357-L409 HydrophobicContact CB-CD2 4.4Å; V357-L409 HydrophobicContact CG1-CD2 4.43Å; V357-L409 HydrophobicContact CG2-CD2 3.81Å; L409-W436 HydrophobicContact CD1-CB 4.24Å; L409-W436 HydrophobicContact CD2-CE3 3.93Å; L409-W436 HydrophobicContact CD2-CZ3 4.39Å; L409-L493 HydrophobicContact CD1-CB 3.68Å; L409-L493 HydrophobicContact CG-CB 3.89Å; L409-L493 HydrophobicContact CG-CD2 4.24Å; L409-T495 HydrophobicContact CB-CG2 3.56Å; L409-T495 HydrophobicContact CD1-CG2 4.36Å; L409-N500 WeakPolarHBondContact O-CA 3.31Å; L409-S501 PolarHBondContact N-OG 3.15Å; L409-S501 PolarHBondContact O-N 3.15Å |
| 410 | E | 80.1 | Confident | 65.6 | Low | 50 Ų | 50 | 71.3 Ų | 71.3 | 23% | 0.234 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 137.4 | 176.7 | 171.4 | -163 | 144.2 | 0 | 0 | 110.8 | T355 K356 N358 N500 | T355-E410 WeakPolarHBondContact CG2-O 3.42Å; K356-E410 HydrophobicContact CB-CB 4.13Å; K356-E410 HydrophobicContact CD-CB 4.41Å; K356-E410 VanDerWaalsContact CD-CD 3.46Å; K356-E410 HydrophobicContact CD-CG 4.06Å; K356-E410 WeakPolarHBondContact CD-OE1 3.22Å; K356-E410 WeakPolarHBondContact CE-OE1 3.13Å; K356-E410 PolarHBondContact N-O 2.93Å; K356-E410 IonicContact NZ-OE1 3.15Å; K356-E410 PolarHBondContact NZ-OE1 3.32Å; K356-E410 PolarHBondContact O-N 3.48Å; N358-E410 WeakPolarHBondContact ND2-CB 3.38Å; N358-E410 PolarHBondContact ND2-OE2 2.88Å; E410-N500 VanDerWaalsContact CA-OD1 3.24Å; E410-N500 WeakPolarHBondContact CA-OD1 3.37Å |
| 411 | S | 69.7 | Low | 63.2 | Low | 22 Ų | 22 | 75.2 Ų | 75.2 | 15% | 0.154 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 138.5 | -177.8 | -55.6 | 0 | 0 | 0 | 0 | 112.1 | E413 G498 N500 | S411-E413 PolarHBondContact O-N 2.91Å; S411-G498 WeakPolarHBondContact CB-O 3.11Å; S411-G498 PolarHBondContact OG-O 3.26Å; S411-N500 PolarHBondContact N-OD1 3.23Å |
| 412 | D | 63 | Low | 60.9 | Low | 70 Ų | 70 | 76.8 Ų | 76.8 | 37% | 0.374 | 43% | 0.432 | S | S | . | . | trans | -87.5 | 90.4 | 167.3 | -76.5 | -39.7 | 0 | 0 | 0 | 110.6 | K356 | K356-D412 WeakPolarHBondContact CE-OD1 3.38Å; K356-D412 IonicContact NZ-OD1 3.92Å; K356-D412 PolarHBondContact NZ-OD1 3.4Å | ||
| 413 | E | 51.8 | Low | 58.2 | Low | 129 Ų | 129 | 82.2 Ų | 82.2 | 60% | 0.603 | 47% | 0.466 | S | S | * | . | trans | -83.2 | -11.3 | 177.8 | -59.6 | -155.3 | 128.3 | 0 | 0 | 114 | S411 S415 | S411-E413 PolarHBondContact O-N 2.91Å; E413-S415 PolarHBondContact O-N 2.89Å | ||
| 414 | N | 45.6 | Very low | 55.6 | Low | 158 Ų | 158 | 83.2 Ų | 83.2 | 85% | 0.845 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | 14.9 | -167.8 | -68.9 | -8.4 | 0 | 0 | 0 | 115.8 | ||
| 415 | S | 39.3 | Very low | 52.6 | Low | 91 Ų | 91 | 88.9 Ų | 88.9 | 64% | 0.636 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -4.7 | -175.6 | 62.6 | 0 | 0 | 0 | 0 | 115.6 | E413 | E413-S415 PolarHBondContact O-N 2.89Š|
| 416 | N | 34.3 | Very low | 49.4 | Very low | 137 Ų | 137 | 95.3 Ų | 95.3 | 73% | 0.733 | 55% | 0.549 | S | S | * | . | trans | -104.8 | -0.9 | -160.5 | -65.3 | -17.4 | 0 | 0 | 0 | 116 | ||||
| 417 | E | 31.3 | Very low | 46.2 | Very low | 196 Ų | 196 | 101 Ų | 101 | 92% | 0.916 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -101.5 | 35.4 | -178.4 | -66.4 | -155.4 | 146.9 | 0 | 0 | 115 | ||
| 418 | T | 30.9 | Very low | 43.2 | Very low | 113 Ų | 113 | 107.9 Ų | 107.9 | 69% | 0.693 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -138.6 | 151.6 | 160.5 | 50.6 | 0 | 0 | 0 | 0 | 112 | ||
| 419 | N | 29.6 | Very low | 40.2 | Very low | 146 Ų | 146 | 113.9 Ų | 113.9 | 78% | 0.781 | 65% | 0.651 | S | S | * | * | trans | 67.9 | 51.1 | 175.1 | -53 | -35.5 | 0 | 0 | 0 | 116.8 | S421 | N419-S421 PolarHBondContact O-N 3.07Š| ||
| 420 | A | 27.2 | Very low | 37.7 | Very low | 111 Ų | 111 | 121.2 Ų | 121.2 | 92% | 0.917 | 69% | 0.69 | S | S | * | * | trans | -71.9 | 64.2 | 163.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 421 | S | 28 | Very low | 35.7 | Very low | 90 Ų | 90 | 123 Ų | 123 | 63% | 0.629 | 71% | 0.709 | S | S | * | * | trans | -160.7 | 147.3 | 168 | 50 | 0 | 0 | 0 | 0 | 114.8 | N419 | N419-S421 PolarHBondContact O-N 3.07Š| ||
| 422 | T | 29.7 | Very low | 34.8 | Very low | 127 Ų | 127 | 126 Ų | 126 | 78% | 0.779 | 73% | 0.729 | S | S | * | * | trans | 70.6 | 126.2 | 166.8 | 46.2 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 423 | T | 30 | Very low | 34.3 | Very low | 121 Ų | 121 | 126.6 Ų | 126.6 | 74% | 0.742 | 73% | 0.732 | S | S | * | * | trans | 67.2 | 84.4 | 146.8 | 51.7 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 424 | T | 27.7 | Very low | 34.9 | Very low | 122 Ų | 122 | 120.6 Ų | 120.6 | 75% | 0.748 | 71% | 0.705 | S | S | * | * | 24.2 | 112.6 | 118.5 | 56.6 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 425 | T | 27.7 | Very low | 36.1 | Very low | 124 Ų | 124 | 113.9 Ų | 113.9 | 76% | 0.761 | 67% | 0.67 | S | S | * | * | 169.3 | 154.2 | 107.4 | 35 | 0 | 0 | 0 | 0 | 113 | |||||
| 426 | N | 26.9 | Very low | 38.1 | Very low | 135 Ų | 135 | 109.5 Ų | 109.5 | 72% | 0.722 | 64% | 0.64 | S | S | * | * | trans | 62.8 | 113.4 | 157.7 | -60.7 | -14.1 | 0 | 0 | 0 | 121.3 | ||||
| 427 | N | 26.7 | Very low | 40.4 | Very low | 136 Ų | 136 | 103.9 Ų | 103.9 | 73% | 0.727 | 61% | 0.608 | S | S | * | * | 45.5 | 101 | 127.9 | -52.1 | -6.4 | 0 | 0 | 0 | 119.8 | |||||
| 428 | N | 28.3 | Very low | 42.8 | Very low | 145 Ų | 145 | 94.6 Ų | 94.6 | 78% | 0.775 | 57% | 0.565 | S | S | * | * | 175.1 | 124.9 | 111.4 | -87 | -28.6 | 0 | 0 | 0 | 111.8 | N430 | N428-N430 PolarHBondContact O-N 2.74Å; N428-N430 VanDerWaalsContact O-N 3.08Å | |||
| 429 | N | 28.9 | Very low | 45.1 | Very low | 168 Ų | 168 | 91.2 Ų | 91.2 | 90% | 0.898 | 54% | 0.541 | S | S | * | . | trans | -81.1 | 86.9 | -179.9 | -68.4 | -6 | 0 | 0 | 0 | 111.5 | ||||
| 430 | N | 33.9 | Very low | 47.6 | Very low | 155 Ų | 155 | 86.2 Ų | 86.2 | 83% | 0.829 | 51% | 0.512 | S | S | * | . | trans | -136 | 64 | 174.9 | -90.4 | -30.7 | 0 | 0 | 0 | 111.6 | N428 | N428-N430 PolarHBondContact O-N 2.74Å; N428-N430 VanDerWaalsContact O-N 3.08Å | ||
| 431 | S | 38.3 | Very low | 50.7 | Low | 88 Ų | 88 | 81 Ų | 81 | 62% | 0.615 | 47% | 0.468 | S | S | * | . | trans | -81.5 | 118.6 | 174 | 42 | 0 | 0 | 0 | 0 | 112.2 | N433 | S431-N433 PolarHBondContact O-N 3.43Å; S431-N433 PolarHBondContact O-ND2 2.84Å; S431-N433 VanDerWaalsContact O-ND2 3.14Å | ||
| 432 | S | 51.1 | Low | 53.6 | Low | 84 Ų | 84 | 77.8 Ų | 77.8 | 59% | 0.587 | 44% | 0.444 | S | S | * | . | trans | 45.2 | -6.7 | 148.3 | 54.2 | 0 | 0 | 0 | 0 | 123 | S434 | S432-S434 PolarHBondContact O-N 2.96Š| ||
| 433 | N | 52.7 | Low | 56.5 | Low | 82 Ų | 82 | 71.7 Ų | 71.7 | 44% | 0.439 | 41% | 0.407 | S | S | . | . | trans | -63.8 | 96.3 | -176.8 | -68.9 | -59.5 | 0 | 0 | 0 | 112.3 | S431 R496 Y497 | S431-N433 PolarHBondContact O-N 3.43Å; S431-N433 PolarHBondContact O-ND2 2.84Å; S431-N433 VanDerWaalsContact O-ND2 3.14Å; N433-R496 VanDerWaalsContact OD1-CA 3.29Å; N433-R496 WeakPolarHBondContact OD1-CA 3.42Å; N433-Y497 PolarHBondContact OD1-N 2.96Å | ||
| 434 | S | 64.6 | Low | 59.1 | Low | 3 Ų | 3 | 68.2 Ų | 68.2 | 2% | 0.021 | 38% | 0.382 | C | S | . | . | trans | -88.8 | 145.9 | 179.1 | -149 | 0 | 0 | 0 | 0 | 110.8 | M351 N352 T355 S432 T494 T495 | M351-S434 WeakPolarHBondContact CG-OG 3.07Å; N352-S434 VanDerWaalsContact CG-OG 3.27Å; N352-S434 PolarHBondContact N-OG 3.18Å; N352-S434 PolarHBondContact ND2-OG 3.3Å; N352-S434 PolarHBondContact OD1-OG 3.37Å; N352-S434 VanDerWaalsContact OD1-OG 3.14Å; T355-S434 WeakPolarHBondContact OG1-CB 3.2Å; T355-S434 PolarHBondContact OG1-OG 2.95Å; S432-S434 PolarHBondContact O-N 2.96Å; S434-T494 WeakPolarHBondContact O-CA 3.35Å; S434-T494 PolarHBondContact O-OG1 2.75Å; S434-T495 WeakPolarHBondContact CB-OG1 3.14Å; S434-T495 PolarHBondContact N-OG1 2.88Å; S434-T495 PolarHBondContact O-N 2.89Å; S434-T495 PolarHBondContact O-OG1 3.18Å | ||
| 435 | S | 71.3 | Confident | 61.8 | Low | 17 Ų | 17 | 64.4 Ų | 64.4 | 12% | 0.119 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 136.3 | 178 | -63.1 | 0 | 0 | 0 | 0 | 110.1 | L493 T494 | S435-L493 CarbonylContact C-O 3.06Å; S435-L493 WeakPolarHBondContact CA-O 3.47Å; S435-T494 PolarHBondContact OG-OG1 2.85Å |
| 436 | W | 81 | Confident | 64.1 | Low | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 126.2 | -175.6 | -179.9 | 42.6 | 0 | 0 | 0 | 109.6 | T341 T343 S349 M351 V357 F384 I407 L409 L438 W492 L493 | T341-W436 HydrophobicContact CG2-CH2 4.37Å; T343-W436 PolarHBondContact OG1-NE1 3.31Å; S349-W436 WeakPolarHBondContact O-CA 3.36Å; S349-W436 VanDerWaalsContact O-CD1 3.29Å; M351-W436 HydrophobicContact CB-CB 4.1Å; M351-W436 HydrophobicContact CB-CG 4.34Å; M351-W436 HydrophobicContact CG-CB 4.3Å; M351-W436 HydrophobicContact SD-CB 4.45Å; V357-W436 HydrophobicContact CG1-CH2 4.07Å; V357-W436 HydrophobicContact CG1-CZ3 3.76Å; V357-W436 HydrophobicContact CG2-CZ3 4.49Å; F384-W436 AromaticContact CD1-CE2 3.83Å; F384-W436 HydrophobicContact CD1-CH2 4.08Å; F384-W436 AromaticContact CD1-CZ2 3.41Å; F384-W436 HydrophobicContact CD1-CZ2 3.41Å; F384-W436 VanDerWaalsContact CD1-CZ2 3.41Å; F384-W436 HydrophobicContact CE1-CH2 4Å; F384-W436 AromaticContact CE1-CZ2 3.77Å; F384-W436 HydrophobicContact CE1-CZ2 3.77Å; F384-W436 HydrophobicContact CG-CZ2 4.31Å; I407-W436 HydrophobicContact CD1-CH2 3.85Å; I407-W436 HydrophobicContact CD1-CZ3 3.71Å; I407-W436 HydrophobicContact CG1-CZ3 4.31Å; L409-W436 HydrophobicContact CD1-CB 4.24Å; L409-W436 HydrophobicContact CD2-CE3 3.93Å; L409-W436 HydrophobicContact CD2-CZ3 4.39Å; W436-L438 HydrophobicContact CD2-CB 4.36Å; W436-L438 HydrophobicContact CE3-CB 4.49Å; W436-L438 HydrophobicContact CH2-CB 4.46Å; W436-L438 HydrophobicContact CH2-CD1 4.01Å; W436-L438 HydrophobicContact CH2-CD2 3.77Å; W436-L438 HydrophobicContact CH2-CG 4.3Å; W436-L438 HydrophobicContact CZ2-CB 4.28Å; W436-L438 HydrophobicContact CZ2-CD1 3.74Å; W436-L438 HydrophobicContact CZ2-CD2 4.29Å; W436-L438 HydrophobicContact CZ2-CG 4.32Å; W436-L438 HydrophobicContact CZ3-CD2 3.96Å; W436-W492 WeakPolarHBondContact O-CA 3.47Å; W436-L493 HydrophobicContact CE3-CB 4.48Å; W436-L493 HydrophobicContact CE3-CD1 3.93Å; W436-L493 HydrophobicContact CE3-CD2 4.19Å; W436-L493 HydrophobicContact CE3-CG 4.42Å; W436-L493 HydrophobicContact CZ3-CD1 4.41Å; W436-L493 HydrophobicContact CZ3-CD2 4.35Å; W436-L493 PolarHBondContact N-O 2.7Å; W436-L493 PolarHBondContact O-N 3.16Å |
| 437 | Y | 81.7 | Confident | 65.5 | Low | 19 Ų | 19 | 56 Ų | 56 | 8% | 0.075 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 106.4 | 173.2 | -176.4 | -93.2 | 0 | 0 | 0 | 109.9 | G344 L346 S349 E439 F490 Q491 W492 | G344-Y437 PolarHBondContact N-O 2.83Å; L346-Y437 HydrophobicContact CD1-CD1 3.69Å; L346-Y437 HydrophobicContact CD1-CD2 3.56Å; L346-Y437 HydrophobicContact CD1-CE1 3.71Å; L346-Y437 HydrophobicContact CD1-CE2 3.6Å; L346-Y437 HydrophobicContact CD1-CG 3.6Å; L346-Y437 HydrophobicContact CG-CD1 3.73Å; L346-Y437 HydrophobicContact CG-CD2 4.48Å; L346-Y437 HydrophobicContact CG-CE1 3.87Å; L346-Y437 HydrophobicContact CG-CG 4.05Å; S349-Y437 PolarHBondContact O-N 2.78Å; Y437-E439 HydrophobicContact CD1-CG 4.34Å; Y437-E439 HydrophobicContact CE1-CG 3.84Å; Y437-F490 VanDerWaalsContact CE2-C 3.49Å; Y437-F490 VanDerWaalsContact CE2-O 3.29Å; Y437-F490 WeakPolarHBondContact CE2-O 3.32Å; Y437-F490 VanDerWaalsContact CZ-C 3.49Å; Y437-F490 VanDerWaalsContact OH-C 3.26Å; Y437-F490 PolarHBondContact OH-O 3.25Å; Y437-Q491 VanDerWaalsContact CD2-C 3.48Å; Y437-W492 AromaticContact CD2-CD1 3.73Å; Y437-W492 AromaticContact CD2-CD2 3.97Å; Y437-W492 HydrophobicContact CD2-CD2 3.97Å; Y437-W492 AromaticContact CD2-CE2 3.85Å; Y437-W492 AromaticContact CD2-CG 3.92Å; Y437-W492 HydrophobicContact CD2-CG 3.92Å; Y437-W492 AromaticContact CD2-NE1 3.65Å; Y437-W492 HydrophobicContact CG-CD2 4.43Å |
| 438 | L | 83.4 | Confident | 66.3 | Low | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 117.1 | -178.3 | 176 | 56.3 | 0 | 0 | 0 | 109.3 | K342 I407 W436 Y440 V441 C489 F490 Q491 L493 | K342-L438 WeakPolarHBondContact O-CD1 3.2Å; I407-L438 HydrophobicContact CD1-CD2 3.85Å; I407-L438 HydrophobicContact CG2-CD2 4.49Å; W436-L438 HydrophobicContact CD2-CB 4.36Å; W436-L438 HydrophobicContact CE3-CB 4.49Å; W436-L438 HydrophobicContact CH2-CB 4.46Å; W436-L438 HydrophobicContact CH2-CD1 4.01Å; W436-L438 HydrophobicContact CH2-CD2 3.77Å; W436-L438 HydrophobicContact CH2-CG 4.3Å; W436-L438 HydrophobicContact CZ2-CB 4.28Å; W436-L438 HydrophobicContact CZ2-CD1 3.74Å; W436-L438 HydrophobicContact CZ2-CD2 4.29Å; W436-L438 HydrophobicContact CZ2-CG 4.32Å; W436-L438 HydrophobicContact CZ3-CD2 3.96Å; L438-Y440 WeakPolarHBondContact CD1-O 3.16Å; L438-V441 HydrophobicContact CD1-CG2 4.01Å; L438-V441 HydrophobicContact CD2-CG2 3.86Å; L438-V441 HydrophobicContact CG-CG2 4.36Å; L438-C489 HydrophobicContact CB-CB 4.33Å; L438-C489 HydrophobicContact CD2-CB 4.14Å; L438-C489 HydrophobicContact CG-CB 3.83Å; L438-C489 WeakPolarHBondContact O-CB 3.19Å; L438-F490 VanDerWaalsContact O-CA 3.31Å; L438-F490 WeakPolarHBondContact O-CA 3.38Å; L438-F490 PolarHBondContact O-N 2.85Å; L438-Q491 PolarHBondContact N-O 2.84Å; L438-Q491 VanDerWaalsContact N-O 3.13Å; L438-Q491 PolarHBondContact O-N 2.9Å; L438-L493 HydrophobicContact CB-CD1 3.84Å; L438-L493 HydrophobicContact CD2-CD1 4.27Å |
| 439 | E | 77.7 | Confident | 66.5 | Low | 42 Ų | 42 | 54.3 Ų | 54.3 | 20% | 0.196 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | -52.5 | 174.5 | -78.2 | 176.7 | -175.6 | 0 | 0 | 110.7 | K342 G344 K345 Y437 C489 F490 | K342-E439 HydrophobicContact CB-CB 4.28Å; K342-E439 HydrophobicContact CG-CB 4.06Å; K342-E439 WeakPolarHBondContact CG-OE2 3.26Å; K342-E439 PolarHBondContact O-N 3.46Å; G344-E439 VanDerWaalsContact CA-CG 3.49Å; G344-E439 WeakPolarHBondContact CA-OE1 3.45Å; K345-E439 PolarHBondContact N-OE1 3Å; Y437-E439 HydrophobicContact CD1-CG 4.34Å; Y437-E439 HydrophobicContact CE1-CG 3.84Å; E439-C489 PolarHBondContact O-N 2.84Å; E439-F490 HydrophobicContact CB-CD1 3.97Å; E439-F490 HydrophobicContact CB-CE1 3.85Å; E439-F490 HydrophobicContact CG-CD1 4.03Å; E439-F490 HydrophobicContact CG-CE1 4.09Å; E439-F490 WeakPolarHBondContact O-CG 3.15Å; E439-F490 PolarHBondContact O-N 3.19Å |
| 440 | Y | 83.8 | Confident | 66.5 | Low | 42 Ų | 42 | 51.8 Ų | 51.8 | 17% | 0.165 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.5 | 164.2 | -179.9 | 55.3 | -93 | 0 | 0 | 0 | 111.9 | K342 L438 I442 F487 F490 M524 | K342-Y440 HydrophobicContact CB-CD1 4.01Å; K342-Y440 HydrophobicContact CB-CD2 3.96Å; K342-Y440 HydrophobicContact CB-CE1 3.68Å; K342-Y440 HydrophobicContact CB-CE2 3.65Å; K342-Y440 HydrophobicContact CB-CG 4.14Å; K342-Y440 VanDerWaalsContact CB-CZ 3.49Å; K342-Y440 HydrophobicContact CG-CD1 4.31Å; K342-Y440 HydrophobicContact CG-CE1 3.63Å; K342-Y440 HydrophobicContact CG-CE2 4.31Å; K342-Y440 PolarHBondContact N-O 2.9Å; L438-Y440 WeakPolarHBondContact CD1-O 3.16Å; Y440-I442 HydrophobicContact CD2-CD1 4.32Å; Y440-I442 HydrophobicContact CD2-CG1 3.85Å; Y440-I442 HydrophobicContact CE2-CD1 3.96Å; Y440-I442 HydrophobicContact CE2-CG1 3.97Å; Y440-F487 CarbonylContact C-O 3.31Å; Y440-F487 WeakPolarHBondContact CA-O 3.48Å; Y440-F490 HydrophobicContact CD1-CZ 4.45Å; Y440-M524 HydrophobicContact CD1-CE 3.52Å; Y440-M524 HydrophobicContact CE1-CE 3.45Å; Y440-M524 VanDerWaalsContact CE1-CE 3.45Å; Y440-M524 HydrophobicContact CG-CE 4.27Å |
| 441 | V | 90.3 | Very high | 66.1 | Low | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 135 | 167 | -172.9 | 0 | 0 | 0 | 0 | 108.8 | I339 I340 T341 L405 L438 I443 F487 | I339-V441 HydrophobicContact CG2-CG1 3.41Å; I339-V441 VanDerWaalsContact CG2-CG1 3.41Å; I340-V441 CarbonylContact O-C 3.52Å; I340-V441 WeakPolarHBondContact O-CA 3.22Å; T341-V441 HydrophobicContact CG2-CG1 4.31Å; T341-V441 HydrophobicContact CG2-CG2 4.18Å; L405-V441 HydrophobicContact CD2-CB 3.67Å; L405-V441 HydrophobicContact CD2-CG1 3.75Å; L405-V441 HydrophobicContact CD2-CG2 3.83Å; L438-V441 HydrophobicContact CD1-CG2 4.01Å; L438-V441 HydrophobicContact CD2-CG2 3.86Å; L438-V441 HydrophobicContact CG-CG2 4.36Å; V441-I443 HydrophobicContact CG1-CG1 4.24Å; V441-F487 HydrophobicContact CB-CB 4.36Å; V441-F487 PolarHBondContact N-O 2.85Å; V441-F487 PolarHBondContact O-N 3.5Å |
| 442 | I | 89.1 | Confident | 65.5 | Low | 23 Ų | 23 | 53.5 Ų | 53.5 | 12% | 0.118 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 132.6 | 167.8 | -49.4 | -175.8 | 0 | 0 | 0 | 107.5 | I339 I340 Y440 V484 Y485 I486 | I339-I442 CarbonylContact C-O 3.59Å; I339-I442 WeakPolarHBondContact CA-O 3.41Å; I340-I442 HydrophobicContact CB-CB 4.26Å; I340-I442 PolarHBondContact N-O 3.48Å; I340-I442 PolarHBondContact O-N 2.82Å; Y440-I442 HydrophobicContact CD2-CD1 4.32Å; Y440-I442 HydrophobicContact CD2-CG1 3.85Å; Y440-I442 HydrophobicContact CE2-CD1 3.96Å; Y440-I442 HydrophobicContact CE2-CG1 3.97Å; I442-V484 HydrophobicContact CG2-CG1 3.48Å; I442-V484 VanDerWaalsContact CG2-CG1 3.48Å; I442-Y485 CarbonylContact C-O 3.58Å; I442-Y485 WeakPolarHBondContact CA-O 3.28Å; I442-I486 HydrophobicContact CG1-CG1 4.27Å; I442-I486 HydrophobicContact CG2-CG1 4.32Å |
| 443 | I | 90.8 | Very high | 64.3 | Low | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 122.1 | 171.7 | -53.5 | -177.7 | 0 | 0 | 0 | 108 | Y337 Q338 I339 I361 L402 L405 V441 V484 Y485 F487 | Y337-I443 HydrophobicContact CD1-CG2 4.24Å; Q338-I443 CarbonylContact O-C 3.57Å; Q338-I443 WeakPolarHBondContact O-CA 3.43Å; I339-I443 HydrophobicContact CG1-CG1 4.4Å; I361-I443 HydrophobicContact CD1-CD1 3.79Å; I361-I443 HydrophobicContact CG1-CD1 3.86Å; I361-I443 HydrophobicContact CG2-CD1 4.36Å; L402-I443 HydrophobicContact CD1-CB 3.95Å; L402-I443 HydrophobicContact CD1-CD1 4.19Å; L402-I443 HydrophobicContact CD1-CG2 3.68Å; L405-I443 HydrophobicContact CB-CD1 4.43Å; L405-I443 HydrophobicContact CD1-CD1 4.28Å; L405-I443 HydrophobicContact CD2-CD1 4.28Å; V441-I443 HydrophobicContact CG1-CG1 4.24Å; I443-V484 WeakPolarHBondContact O-CA 3.41Å; I443-Y485 PolarHBondContact N-O 3.32Å; I443-Y485 PolarHBondContact O-N 2.71Å; I443-F487 HydrophobicContact CB-CE2 4.13Å; I443-F487 HydrophobicContact CD1-CD2 4.03Å; I443-F487 HydrophobicContact CD1-CE2 3.53Å; I443-F487 HydrophobicContact CD1-CZ 4.17Å; I443-F487 HydrophobicContact CG1-CD2 4Å; I443-F487 HydrophobicContact CG1-CE2 3.75Å |
| 444 | Q | 85.6 | Confident | 63 | Low | 48 Ų | 48 | 57.5 Ų | 57.5 | 22% | 0.224 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 134.2 | 172.6 | 65.6 | -179.5 | 10.9 | 0 | 0 | 111.2 | Y337 Q338 L446 A483 V484 | Y337-Q444 CarbonylContact C-O 3.58Å; Y337-Q444 WeakPolarHBondContact CA-O 3.41Å; Q338-Q444 HydrophobicContact CB-CG 3.8Å; Q338-Q444 HydrophobicContact CG-CG 4.42Å; Q338-Q444 PolarHBondContact N-O 3.16Å; Q338-Q444 PolarHBondContact O-N 2.93Å; Q444-L446 HydrophobicContact CG-CD2 4.27Å; Q444-A483 CarbonylContact C-O 3.53Å; Q444-A483 WeakPolarHBondContact CA-O 3.43Å; Q444-V484 HydrophobicContact CB-CG1 4.48Å; Q444-V484 HydrophobicContact CB-CG2 3.98Å |
| 445 | Q | 83.5 | Confident | 61.2 | Low | 42 Ų | 42 | 66 Ų | 66 | 20% | 0.196 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 131.3 | 170.4 | -173.4 | -175.2 | -25.9 | 0 | 0 | 108.9 | I335 Y337 N482 A483 | I335-Q445 HydrophobicContact CG2-CG 3.65Å; Y337-Q445 HydrophobicContact CD1-CB 4.4Å; Y337-Q445 HydrophobicContact CE1-CB 4.39Å; Y337-Q445 HydrophobicContact CE1-CG 4.26Å; Q445-N482 WeakPolarHBondContact O-CB 3.35Å; Q445-N482 PolarHBondContact O-OD1 2.9Å; Q445-A483 HydrophobicContact CB-CB 4.37Å; Q445-A483 PolarHBondContact N-O 2.97Å |
| 446 | L | 76.4 | Confident | 59.2 | Low | 37 Ų | 37 | 69.3 Ų | 69.3 | 19% | 0.194 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 129.5 | 175.1 | -56.7 | 177.4 | 0 | 0 | 0 | 110 | I335 Q336 Q338 Q444 | I335-L446 WeakPolarHBondContact CG2-O 3.04Å; Q336-L446 HydrophobicContact CB-CD1 4.39Å; Q336-L446 HydrophobicContact CG-CD1 4.18Å; Q336-L446 WeakPolarHBondContact O-CB 3.27Å; Q336-L446 PolarHBondContact O-N 2.78Å; Q338-L446 HydrophobicContact CB-CD1 4.3Å; Q444-L446 HydrophobicContact CG-CD2 4.27Å |
| 447 | S | 56 | Low | 56.8 | Low | 44 Ų | 44 | 73.2 Ų | 73.2 | 31% | 0.308 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 142.8 | 171.7 | 57.9 | 0 | 0 | 0 | 0 | 111.8 | D480 N482 | S447-D480 VanDerWaalsContact CB-CG 3.46Å; S447-D480 WeakPolarHBondContact CB-OD2 3.46Å; S447-D480 VanDerWaalsContact OG-CG 3.25Å; S447-D480 PolarHBondContact OG-OD2 2.87Å; S447-N482 PolarHBondContact N-OD1 3.28Å; S447-N482 PolarHBondContact OG-OD1 3.18Å |
| 448 | M | 44.9 | Very low | 54.3 | Low | 113 Ų | 113 | 77.3 Ų | 77.3 | 56% | 0.557 | 42% | 0.419 | S | S | * | . | trans | -102.6 | 81.1 | 175.4 | -72.4 | -68.8 | -170.7 | 0 | 0 | 109.5 | Q336 | Q336-M448 HydrophobicContact CB-CE 3.89Š| ||
| 449 | N | 32.7 | Very low | 51.7 | Low | 134 Ų | 134 | 86.8 Ų | 86.8 | 72% | 0.717 | 46% | 0.46 | S | S | * | . | trans | -157.4 | 151.1 | 167 | -111 | -38.8 | 0 | 0 | 0 | 113.9 | ||||
| 450 | S | 27.7 | Very low | 49.4 | Very low | 115 Ų | 115 | 90.3 Ų | 90.3 | 80% | 0.804 | 48% | 0.481 | S | S | * | . | trans | 64.7 | 116 | -178.3 | 71.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 451 | S | 26.3 | Very low | 46.8 | Very low | 110 Ų | 110 | 92.7 Ų | 92.7 | 77% | 0.769 | 50% | 0.5 | S | S | * | . | trans | -52.5 | 152.3 | 170.1 | 53.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 452 | M | 24.8 | Very low | 43.9 | Very low | 169 Ų | 169 | 101 Ų | 101 | 83% | 0.833 | 54% | 0.543 | S | S | * | . | S | Bend | trans | 21.8 | 126.6 | 147.7 | -68.2 | -64.6 | 179.4 | 0 | 0 | 119.1 | ||
| 453 | N | 25.4 | Very low | 41 | Very low | 147 Ų | 147 | 104.9 Ų | 104.9 | 79% | 0.786 | 57% | 0.572 | S | S | * | * | S | Bend | trans | 81.1 | 99.1 | 177.2 | -46.4 | -63.6 | 0 | 0 | 0 | 115.5 | ||
| 454 | N | 26.7 | Very low | 38.3 | Very low | 103 Ų | 103 | 110.1 Ų | 110.1 | 55% | 0.551 | 61% | 0.609 | S | S | * | * | trans | 175.7 | -6.3 | 131.8 | -98.9 | -55.3 | 0 | 0 | 0 | 116 | S456 N457 | N454-S456 PolarHBondContact O-N 3.01Å; N454-N457 WeakPolarHBondContact O-CB 3.4Å; N454-N457 PolarHBondContact O-N 3.42Å; N454-N457 PolarHBondContact OD1-ND2 2.86Å | ||
| 455 | F | 26.5 | Very low | 35.6 | Very low | 181 Ų | 181 | 113 Ų | 113 | 79% | 0.794 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -62.5 | -14.1 | -176 | -88.9 | -78.2 | 0 | 0 | 0 | 115.8 | N457 I458 | F455-N457 VanDerWaalsContact C-N 3.26Å; F455-N457 PolarHBondContact O-N 2.73Å; F455-I458 HydrophobicContact CD1-CD1 4.06Å; F455-I458 HydrophobicContact CE1-CD1 3.98Å |
| 456 | S | 29.6 | Very low | 33.1 | Very low | 87 Ų | 87 | 115.6 Ų | 115.6 | 61% | 0.608 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -68.3 | -17.4 | 168.1 | 46.8 | 0 | 0 | 0 | 0 | 114.6 | N454 N460 | N454-S456 PolarHBondContact O-N 3.01Å; S456-N460 PolarHBondContact O-ND2 3.47Å |
| 457 | N | 29.6 | Very low | 30.9 | Very low | 82 Ų | 82 | 122.8 Ų | 122.8 | 44% | 0.439 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -97.7 | -16.5 | -175.4 | -70.8 | -35.3 | 0 | 0 | 0 | 114.2 | N454 F455 N460 T461 | N454-N457 WeakPolarHBondContact O-CB 3.4Å; N454-N457 PolarHBondContact O-N 3.42Å; N454-N457 PolarHBondContact OD1-ND2 2.86Å; F455-N457 VanDerWaalsContact C-N 3.26Å; F455-N457 PolarHBondContact O-N 2.73Å; N457-N460 PolarHBondContact O-N 2.79Å; N457-T461 VanDerWaalsContact O-CG2 3.27Å; N457-T461 WeakPolarHBondContact O-CG2 3.27Å; N457-T461 PolarHBondContact O-OG1 2.93Å |
| 458 | I | 29.7 | Very low | 29.6 | Very low | 104 Ų | 104 | 129.2 Ų | 129.2 | 53% | 0.533 | 72% | 0.717 | S | S | . | * | H | α-helix | trans | -80.5 | -29 | -174.3 | -62.5 | 177.1 | 0 | 0 | 0 | 112.3 | F455 N460 | F455-I458 HydrophobicContact CD1-CD1 4.06Å; F455-I458 HydrophobicContact CE1-CD1 3.98Å; I458-N460 VanDerWaalsContact C-N 3.32Å |
| 459 | F | 29.6 | Very low | 28.8 | Very low | 200 Ų | 200 | 128.9 Ų | 128.9 | 88% | 0.877 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -79.4 | -9.9 | 172.6 | -104 | -88.8 | 0 | 0 | 0 | 114.3 | ||
| 460 | N | 28.7 | Very low | 28.5 | Very low | 116 Ų | 116 | 128.1 Ų | 128.1 | 62% | 0.62 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -113.6 | 3.4 | -168.9 | -75.7 | -48.8 | 0 | 0 | 0 | 115 | S456 N457 I458 S463 | S456-N460 PolarHBondContact O-ND2 3.47Å; N457-N460 PolarHBondContact O-N 2.79Å; I458-N460 VanDerWaalsContact C-N 3.32Å; N460-S463 PolarHBondContact O-OG 2.95Å |
| 461 | T | 30 | Very low | 28.5 | Very low | 92 Ų | 92 | 131.5 Ų | 131.5 | 56% | 0.564 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -115 | -2.2 | -167.2 | 39.4 | 0 | 0 | 0 | 0 | 116 | N457 S463 | N457-T461 VanDerWaalsContact O-CG2 3.27Å; N457-T461 WeakPolarHBondContact O-CG2 3.27Å; N457-T461 PolarHBondContact O-OG1 2.93Å; T461-S463 VanDerWaalsContact C-N 3.32Å |
| 462 | L | 28.8 | Very low | 28.4 | Very low | 175 Ų | 175 | 131.4 Ų | 131.4 | 92% | 0.916 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -91.2 | 12.1 | 174.2 | -76.4 | 165.4 | 0 | 0 | 0 | 114.1 | ||
| 463 | S | 28.5 | Very low | 28.5 | Very low | 104 Ų | 104 | 133 Ų | 133 | 73% | 0.727 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -111.5 | 28.9 | -175.4 | 48.8 | 0 | 0 | 0 | 0 | 113.9 | N460 T461 | N460-S463 PolarHBondContact O-OG 2.95Å; T461-S463 VanDerWaalsContact C-N 3.32Å |
| 464 | S | 33 | Very low | 28.4 | Very low | 110 Ų | 110 | 131.1 Ų | 131.1 | 77% | 0.769 | 73% | 0.734 | S | S | * | * | trans | -143.3 | 154 | 170.3 | 65.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 465 | S | 30.3 | Very low | 28.3 | Very low | 108 Ų | 108 | 133.1 Ų | 133.1 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | trans | -128 | 145.9 | -159.3 | 66.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 466 | S | 29.5 | Very low | 28.2 | Very low | 96 Ų | 96 | 129.6 Ų | 129.6 | 67% | 0.671 | 74% | 0.742 | S | S | * | * | trans | 81.9 | 146.4 | 153.7 | 86.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 467 | K | 29.7 | Very low | 28.1 | Very low | 188 Ų | 188 | 132.6 Ų | 132.6 | 82% | 0.817 | 75% | 0.751 | S | S | * | * | trans | 64.8 | 91.6 | 159.5 | -56.5 | 170.3 | -171 | 170.7 | 0 | 118.1 | ||||
| 468 | L | 30.3 | Very low | 27.7 | Very low | 180 Ų | 180 | 134.5 Ų | 134.5 | 94% | 0.942 | 77% | 0.769 | S | S | * | * | -143.7 | 156.7 | 120.8 | -139.1 | 69.8 | 0 | 0 | 0 | 110.5 | |||||
| 469 | S | 28.2 | Very low | 27.5 | Very low | 106 Ų | 106 | 135.2 Ų | 135.2 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | -101.7 | 158.4 | -167.7 | 50.5 | 0 | 0 | 0 | 0 | 113.7 | Q471 | S469-Q471 PolarHBondContact O-N 2.84Š| ||
| 470 | S | 25 | Very low | 27.8 | Very low | 118 Ų | 118 | 130 Ų | 130 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | trans | -51.3 | 120.8 | 177.4 | 53 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 471 | Q | 28.5 | Very low | 28.4 | Very low | 186 Ų | 186 | 132.6 Ų | 132.6 | 87% | 0.869 | 77% | 0.766 | S | S | * | * | trans | -147.8 | 152.3 | 150.1 | -111.7 | 169.4 | 14.1 | 0 | 0 | 110.3 | S469 F473 | S469-Q471 PolarHBondContact O-N 2.84Å; Q471-F473 PolarHBondContact O-N 2.92Å | ||
| 472 | S | 24.9 | Very low | 29.7 | Very low | 107 Ų | 107 | 131.5 Ų | 131.5 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | trans | -56.7 | 123.8 | -167.3 | 48.7 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 473 | F | 26.5 | Very low | 31.7 | Very low | 203 Ų | 203 | 123.9 Ų | 123.9 | 89% | 0.89 | 72% | 0.719 | S | S | * | * | trans | -137.1 | 98.8 | 154.8 | -96.1 | -81.8 | 0 | 0 | 0 | 111 | Q471 | Q471-F473 PolarHBondContact O-N 2.92Š| ||
| 474 | S | 23.2 | Very low | 34 | Very low | 108 Ų | 108 | 119.8 Ų | 119.8 | 76% | 0.755 | 69% | 0.689 | S | S | * | * | trans | -96.9 | 92.3 | 163.6 | 53.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 475 | N | 24.6 | Very low | 36.4 | Very low | 145 Ų | 145 | 115 Ų | 115 | 78% | 0.775 | 66% | 0.655 | S | S | * | * | trans | -170.5 | 152.9 | 162.5 | -99.9 | -21.3 | 0 | 0 | 0 | 112.4 | ||||
| 476 | S | 24.5 | Very low | 38.8 | Very low | 106 Ų | 106 | 110.1 Ų | 110.1 | 74% | 0.741 | 62% | 0.62 | S | S | * | * | trans | 38.5 | 93.7 | 155.1 | 60.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 477 | L | 26.4 | Very low | 41.5 | Very low | 150 Ų | 150 | 105.5 Ų | 105.5 | 79% | 0.785 | 59% | 0.588 | S | S | * | * | trans | -155.4 | 63.5 | 156.9 | -117.7 | 149.5 | 0 | 0 | 0 | 111.5 | N479 | L477-N479 HydrophobicContact CD2-CB 4.35Å; L477-N479 WeakPolarHBondContact CD2-ND2 3.46Å; L477-N479 PolarHBondContact O-N 2.84Å | ||
| 478 | C | 22.7 | Very low | 43.8 | Very low | 123 Ų | 123 | 98.2 Ų | 98.2 | 83% | 0.831 | 56% | 0.559 | S | S | * | * | trans | -82.9 | 95.3 | 164 | 49.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 479 | N | 25.7 | Very low | 46 | Very low | 118 Ų | 118 | 90.4 Ų | 90.4 | 63% | 0.631 | 52% | 0.52 | S | S | * | . | trans | -143.5 | 121.9 | 177 | -78.4 | -40.1 | 0 | 0 | 0 | 110.7 | L477 | L477-N479 HydrophobicContact CD2-CB 4.35Å; L477-N479 WeakPolarHBondContact CD2-ND2 3.46Å; L477-N479 PolarHBondContact O-N 2.84Å | ||
| 480 | D | 34.4 | Very low | 48.2 | Very low | 90 Ų | 90 | 88.4 Ų | 88.4 | 48% | 0.481 | 50% | 0.498 | S | S | . | . | trans | 36.6 | 81.2 | 144.1 | -63.1 | 10.6 | 0 | 0 | 0 | 118.8 | S447 | S447-D480 VanDerWaalsContact CB-CG 3.46Å; S447-D480 WeakPolarHBondContact CB-OD2 3.46Å; S447-D480 VanDerWaalsContact OG-CG 3.25Å; S447-D480 PolarHBondContact OG-OD2 2.87Å | ||
| 481 | M | 41.3 | Very low | 50.4 | Low | 172 Ų | 172 | 86.7 Ų | 86.7 | 85% | 0.847 | 48% | 0.477 | S | S | * | . | trans | -93.4 | 88.3 | 160.3 | -80.2 | -74.8 | -178.6 | 0 | 0 | 110.4 | A483 | M481-A483 PolarHBondContact O-N 3.16Å; M481-A483 VanDerWaalsContact O-N 3.16Å | ||
| 482 | N | 58.4 | Low | 52.5 | Low | 69 Ų | 69 | 83.1 Ų | 83.1 | 37% | 0.369 | 46% | 0.455 | S | S | . | . | trans | -57.1 | 114.6 | 172 | -76.4 | -12.3 | 0 | 0 | 0 | 110.6 | Q445 S447 | Q445-N482 WeakPolarHBondContact O-CB 3.35Å; Q445-N482 PolarHBondContact O-OD1 2.9Å; S447-N482 PolarHBondContact N-OD1 3.28Å; S447-N482 PolarHBondContact OG-OD1 3.18Å | ||
| 483 | A | 69.2 | Low | 55.1 | Low | 15 Ų | 15 | 78.1 Ų | 78.1 | 12% | 0.124 | 42% | 0.42 | C | S | . | . | trans | -75.7 | 131.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q444 Q445 M481 Y485 G513 | Q444-A483 CarbonylContact C-O 3.53Å; Q444-A483 WeakPolarHBondContact CA-O 3.43Å; Q445-A483 HydrophobicContact CB-CB 4.37Å; Q445-A483 PolarHBondContact N-O 2.97Å; M481-A483 PolarHBondContact O-N 3.16Å; M481-A483 VanDerWaalsContact O-N 3.16Å; A483-Y485 HydrophobicContact CB-CE2 3.79Å; A483-G513 CarbonylContact C-O 3.56Å; A483-G513 WeakPolarHBondContact CA-O 3.08Å | ||
| 484 | V | 77.5 | Confident | 57.2 | Low | 17 Ų | 17 | 70.6 Ų | 70.6 | 10% | 0.103 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 126.3 | -176.3 | -172.9 | 0 | 0 | 0 | 0 | 110.4 | I442 I443 Q444 N510 G513 I520 | I442-V484 HydrophobicContact CG2-CG1 3.48Å; I442-V484 VanDerWaalsContact CG2-CG1 3.48Å; I443-V484 WeakPolarHBondContact O-CA 3.41Å; Q444-V484 HydrophobicContact CB-CG1 4.48Å; Q444-V484 HydrophobicContact CB-CG2 3.98Å; V484-N510 PolarHBondContact O-ND2 2.93Å; V484-G513 PolarHBondContact N-O 2.92Å; V484-I520 HydrophobicContact CG1-CD1 3.84Å |
| 485 | Y | 84.1 | Confident | 59.3 | Low | 11 Ų | 11 | 65.6 Ų | 65.6 | 4% | 0.043 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 138.4 | -178.4 | -62.1 | -94.7 | 0 | 0 | 0 | 110.5 | R401 L402 I442 I443 A483 P508 N510 G513 | R401-Y485 WeakPolarHBondContact CA-OH 2.98Å; L402-Y485 HydrophobicContact CB-CD1 4.07Å; L402-Y485 HydrophobicContact CB-CD2 4.22Å; L402-Y485 HydrophobicContact CB-CE1 4.18Å; L402-Y485 HydrophobicContact CB-CE2 4.33Å; L402-Y485 HydrophobicContact CB-CG 4.09Å; L402-Y485 HydrophobicContact CD1-CD2 3.64Å; L402-Y485 HydrophobicContact CD1-CE2 4.13Å; L402-Y485 HydrophobicContact CD1-CG 4.03Å; L402-Y485 HydrophobicContact CG-CD2 3.81Å; L402-Y485 HydrophobicContact CG-CE2 3.82Å; L402-Y485 HydrophobicContact CG-CG 4.18Å; I442-Y485 CarbonylContact C-O 3.58Å; I442-Y485 WeakPolarHBondContact CA-O 3.28Å; I443-Y485 PolarHBondContact N-O 3.32Å; I443-Y485 PolarHBondContact O-N 2.71Å; A483-Y485 HydrophobicContact CB-CE2 3.79Å; Y485-P508 HydrophobicContact CD1-CB 4.21Å; Y485-P508 HydrophobicContact CD1-CG 4.47Å; Y485-N510 WeakPolarHBondContact CA-OD1 3.48Å; Y485-G513 VanDerWaalsContact CZ-CA 3.44Å |
| 486 | I | 80.5 | Confident | 60.7 | Low | 4 Ų | 4 | 65.8 Ų | 65.8 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 120.2 | -179.7 | -57.9 | 171.6 | 0 | 0 | 0 | 110.2 | I442 P488 P508 A509 N510 L515 I520 | I442-I486 HydrophobicContact CG1-CG1 4.27Å; I442-I486 HydrophobicContact CG2-CG1 4.32Å; I486-P488 VanDerWaalsContact O-CD 3.25Å; I486-P488 WeakPolarHBondContact O-CD 3.17Å; I486-P508 CarbonylContact O-C 3.52Å; I486-P508 VanDerWaalsContact O-CA 3.29Å; I486-P508 WeakPolarHBondContact O-CA 2.96Å; I486-A509 PolarHBondContact O-N 3.42Å; I486-N510 PolarHBondContact N-OD1 2.83Å; I486-L515 HydrophobicContact CD1-CD1 4.18Å; I486-I520 HydrophobicContact CD1-CB 4.1Å; I486-I520 HydrophobicContact CD1-CD1 4.09Å; I486-I520 HydrophobicContact CD1-CG1 3.76Å; I486-I520 HydrophobicContact CD1-CG2 3.55Å |
| 487 | F | 86.5 | Confident | 61.8 | Low | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 93.9 | 178 | -61.1 | -93.9 | 0 | 0 | 0 | 109 | L402 L405 Y440 V441 I443 L506 P508 | L402-F487 HydrophobicContact CB-CZ 4.11Å; L402-F487 HydrophobicContact CD1-CE2 4.46Å; L402-F487 HydrophobicContact CD1-CZ 4.41Å; L405-F487 HydrophobicContact CB-CD1 3.63Å; L405-F487 HydrophobicContact CB-CD2 4.37Å; L405-F487 HydrophobicContact CB-CE1 3.75Å; L405-F487 HydrophobicContact CB-CE2 4.49Å; L405-F487 HydrophobicContact CB-CG 3.96Å; L405-F487 HydrophobicContact CB-CZ 4.2Å; L405-F487 HydrophobicContact CD2-CB 4.16Å; L405-F487 HydrophobicContact CD2-CD2 4.32Å; L405-F487 HydrophobicContact CD2-CG 4.12Å; Y440-F487 CarbonylContact C-O 3.31Å; Y440-F487 WeakPolarHBondContact CA-O 3.48Å; V441-F487 HydrophobicContact CB-CB 4.36Å; V441-F487 PolarHBondContact N-O 2.85Å; V441-F487 PolarHBondContact O-N 3.5Å; I443-F487 HydrophobicContact CB-CE2 4.13Å; I443-F487 HydrophobicContact CD1-CD2 4.03Å; I443-F487 HydrophobicContact CD1-CE2 3.53Å; I443-F487 HydrophobicContact CD1-CZ 4.17Å; I443-F487 HydrophobicContact CG1-CD2 4Å; I443-F487 HydrophobicContact CG1-CE2 3.75Å; F487-L506 HydrophobicContact CB-CB 4Å; F487-L506 HydrophobicContact CB-CD1 4.04Å; F487-L506 HydrophobicContact CD1-CB 4.05Å; F487-P508 HydrophobicContact CD1-CB 4.26Å; F487-P508 HydrophobicContact CE1-CB 3.88Å; F487-P508 HydrophobicContact CE1-CG 4.12Å; F487-P508 HydrophobicContact CE2-CB 4.45Å; F487-P508 HydrophobicContact CZ-CB 3.98Å; F487-P508 HydrophobicContact CZ-CG 4.36Å |
| 488 | P | 76.7 | Confident | 62.8 | Low | 34 Ų | 34 | 63.3 Ų | 63.3 | 22% | 0.221 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 139.3 | 175.1 | 29.7 | -34.5 | 0 | 0 | 0 | 110.3 | I486 F490 A509 | I486-P488 VanDerWaalsContact O-CD 3.25Å; I486-P488 WeakPolarHBondContact O-CD 3.17Å; P488-F490 HydrophobicContact CB-CD2 3.96Å; P488-F490 HydrophobicContact CB-CE2 3.68Å; P488-A509 HydrophobicContact CG-CB 4.43Å |
| 489 | C | 77.6 | Confident | 64.2 | Low | 16 Ų | 16 | 64 Ų | 64 | 11% | 0.108 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | -57.2 | -177.3 | -170.5 | 0 | 0 | 0 | 0 | 110.6 | L438 E439 Q491 L506 | L438-C489 HydrophobicContact CB-CB 4.33Å; L438-C489 HydrophobicContact CD2-CB 4.14Å; L438-C489 HydrophobicContact CG-CB 3.83Å; L438-C489 WeakPolarHBondContact O-CB 3.19Å; E439-C489 PolarHBondContact O-N 2.84Å; C489-Q491 PolarHBondContact O-N 2.87Å; C489-Q491 VanDerWaalsContact O-N 3.15Å; C489-L506 HydrophobicContact CB-CD1 3.82Å; C489-L506 HydrophobicContact CB-CD2 4.22Å |
| 490 | F | 74.9 | Confident | 66.2 | Low | 65 Ų | 65 | 62.7 Ų | 62.7 | 29% | 0.285 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 48.6 | 33.7 | 176.9 | -60.1 | -71.6 | 0 | 0 | 0 | 115.6 | Y437 L438 E439 Y440 P488 M524 | Y437-F490 VanDerWaalsContact CE2-C 3.49Å; Y437-F490 VanDerWaalsContact CE2-O 3.29Å; Y437-F490 WeakPolarHBondContact CE2-O 3.32Å; Y437-F490 VanDerWaalsContact CZ-C 3.49Å; Y437-F490 VanDerWaalsContact OH-C 3.26Å; Y437-F490 PolarHBondContact OH-O 3.25Å; L438-F490 VanDerWaalsContact O-CA 3.31Å; L438-F490 WeakPolarHBondContact O-CA 3.38Å; L438-F490 PolarHBondContact O-N 2.85Å; E439-F490 HydrophobicContact CB-CD1 3.97Å; E439-F490 HydrophobicContact CB-CE1 3.85Å; E439-F490 HydrophobicContact CG-CD1 4.03Å; E439-F490 HydrophobicContact CG-CE1 4.09Å; E439-F490 WeakPolarHBondContact O-CG 3.15Å; E439-F490 PolarHBondContact O-N 3.19Å; Y440-F490 HydrophobicContact CD1-CZ 4.45Å; P488-F490 HydrophobicContact CB-CD2 3.96Å; P488-F490 HydrophobicContact CB-CE2 3.68Å; F490-M524 HydrophobicContact CZ-CE 4.33Å |
| 491 | Q | 70.4 | Confident | 68.2 | Low | 82 Ų | 82 | 58.8 Ų | 58.8 | 38% | 0.383 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 170.2 | -176.2 | 67.8 | 179.9 | 23.4 | 0 | 0 | 113.6 | Y437 L438 C489 I504 | Y437-Q491 VanDerWaalsContact CD2-C 3.48Å; L438-Q491 PolarHBondContact N-O 2.84Å; L438-Q491 VanDerWaalsContact N-O 3.13Å; L438-Q491 PolarHBondContact O-N 2.9Å; C489-Q491 PolarHBondContact O-N 2.87Å; C489-Q491 VanDerWaalsContact O-N 3.15Å; Q491-I504 VanDerWaalsContact NE2-CG2 3.29Å |
| 492 | W | 73.5 | Confident | 69.7 | Low | 110 Ų | 110 | 57.7 Ų | 57.7 | 42% | 0.417 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 130.4 | 178.4 | -73.6 | 100.4 | 0 | 0 | 0 | 111.8 | L346 W347 N348 W436 Y437 | L346-W492 HydrophobicContact CB-CZ2 4.4Å; L346-W492 HydrophobicContact CD1-CZ2 4.26Å; W347-W492 VanDerWaalsContact O-CH2 3.27Å; W347-W492 WeakPolarHBondContact O-CH2 3.44Å; N348-W492 HydrophobicContact CB-CH2 4.43Å; N348-W492 WeakPolarHBondContact O-CH2 3.43Å; N348-W492 VanDerWaalsContact O-CZ3 3.27Å; N348-W492 WeakPolarHBondContact O-CZ3 3.48Å; W436-W492 WeakPolarHBondContact O-CA 3.47Å; Y437-W492 AromaticContact CD2-CD1 3.73Å; Y437-W492 AromaticContact CD2-CD2 3.97Å; Y437-W492 HydrophobicContact CD2-CD2 3.97Å; Y437-W492 AromaticContact CD2-CE2 3.85Å; Y437-W492 AromaticContact CD2-CG 3.92Å; Y437-W492 HydrophobicContact CD2-CG 3.92Å; Y437-W492 AromaticContact CD2-NE1 3.65Å; Y437-W492 HydrophobicContact CG-CD2 4.43Å |
| 493 | L | 79.5 | Confident | 70.8 | Confident | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 141.8 | 158.4 | -61.3 | 88.1 | 0 | 0 | 0 | 107.6 | I407 L409 S435 W436 L438 I504 | I407-L493 HydrophobicContact CG1-CD2 4.26Å; I407-L493 HydrophobicContact CG2-CD2 4.41Å; L409-L493 HydrophobicContact CD1-CB 3.68Å; L409-L493 HydrophobicContact CG-CB 3.89Å; L409-L493 HydrophobicContact CG-CD2 4.24Å; S435-L493 CarbonylContact C-O 3.06Å; S435-L493 WeakPolarHBondContact CA-O 3.47Å; W436-L493 HydrophobicContact CE3-CB 4.48Å; W436-L493 HydrophobicContact CE3-CD1 3.93Å; W436-L493 HydrophobicContact CE3-CD2 4.19Å; W436-L493 HydrophobicContact CE3-CG 4.42Å; W436-L493 HydrophobicContact CZ3-CD1 4.41Å; W436-L493 HydrophobicContact CZ3-CD2 4.35Å; W436-L493 PolarHBondContact N-O 2.7Å; W436-L493 PolarHBondContact O-N 3.16Å; L438-L493 HydrophobicContact CB-CD1 3.84Å; L438-L493 HydrophobicContact CD2-CD1 4.27Å; L493-I504 HydrophobicContact CD1-CD1 4.35Å; L493-I504 HydrophobicContact CD2-CD1 3.86Å; L493-I504 HydrophobicContact CG-CD1 3.62Å |
| 494 | T | 69.6 | Low | 71.4 | Confident | 46 Ų | 46 | 59 Ų | 59 | 28% | 0.282 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 140.8 | -174.9 | -165.5 | 0 | 0 | 0 | 0 | 111.7 | S434 S435 R496 S501 | S434-T494 WeakPolarHBondContact O-CA 3.35Å; S434-T494 PolarHBondContact O-OG1 2.75Å; S435-T494 PolarHBondContact OG-OG1 2.85Å; T494-R496 HydrophobicContact CG2-CG 4.36Å; T494-S501 WeakPolarHBondContact O-CB 3.35Å |
| 495 | T | 67.6 | Low | 71.9 | Confident | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.012 | 31% | 0.307 | C | S | . | . | trans | -107.3 | 45.6 | 177.5 | 55.6 | 0 | 0 | 0 | 0 | 111.3 | T355 L409 S434 Y497 G498 M499 | T355-T495 HydrophobicContact CG2-CG2 4.08Å; L409-T495 HydrophobicContact CB-CG2 3.56Å; L409-T495 HydrophobicContact CD1-CG2 4.36Å; S434-T495 WeakPolarHBondContact CB-OG1 3.14Å; S434-T495 PolarHBondContact N-OG1 2.88Å; S434-T495 PolarHBondContact O-N 2.89Å; S434-T495 PolarHBondContact O-OG1 3.18Å; T495-Y497 PolarHBondContact O-N 2.92Å; T495-G498 PolarHBondContact O-N 2.88Å; T495-M499 CarbonylContact C-O 3.28Å; T495-M499 WeakPolarHBondContact CA-O 3.32Å; T495-M499 WeakPolarHBondContact CB-O 3.25Å | ||
| 496 | R | 54.1 | Low | 72 | Confident | 149 Ų | 149 | 64.2 Ų | 64.2 | 56% | 0.562 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -61.8 | 138.3 | -177.8 | -79.6 | -178.7 | -170.6 | -156.3 | 2.8 | 111.1 | N433 T494 G498 | N433-R496 VanDerWaalsContact OD1-CA 3.29Å; N433-R496 WeakPolarHBondContact OD1-CA 3.42Å; T494-R496 HydrophobicContact CG2-CG 4.36Å; R496-G498 VanDerWaalsContact C-N 3.32Å; R496-G498 PolarHBondContact O-N 2.84Å |
| 497 | Y | 47.9 | Very low | 72.1 | Confident | 193 Ų | 193 | 69.5 Ų | 69.5 | 76% | 0.757 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | 65.4 | 28.3 | 178.3 | -42.6 | -75 | 0 | 0 | 0 | 114.3 | N433 T495 M499 | N433-Y497 PolarHBondContact OD1-N 2.96Å; T495-Y497 PolarHBondContact O-N 2.92Å; Y497-M499 PolarHBondContact O-N 2.97Å |
| 498 | G | 47.4 | Very low | 71.7 | Confident | 11 Ų | 11 | 70.4 Ų | 70.4 | 11% | 0.113 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | 82.8 | -22.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | S411 T495 R496 | S411-G498 WeakPolarHBondContact CB-O 3.11Å; S411-G498 PolarHBondContact OG-O 3.26Å; T495-G498 PolarHBondContact O-N 2.88Å; R496-G498 VanDerWaalsContact C-N 3.32Å; R496-G498 PolarHBondContact O-N 2.84Å |
| 499 | M | 50.9 | Low | 71.2 | Confident | 138 Ų | 138 | 70.8 Ų | 70.8 | 68% | 0.68 | 35% | 0.347 | S | S | * | . | P | Polyproline II helix | trans | -64.5 | 142.6 | -178.9 | -54.4 | -174.4 | 79.5 | 0 | 0 | 112.8 | T495 Y497 | T495-M499 CarbonylContact C-O 3.28Å; T495-M499 WeakPolarHBondContact CA-O 3.32Å; T495-M499 WeakPolarHBondContact CB-O 3.25Å; Y497-M499 PolarHBondContact O-N 2.97Å |
| 500 | N | 69.4 | Low | 70.7 | Confident | 90 Ų | 90 | 70.6 Ų | 70.6 | 48% | 0.481 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 149.1 | 168.8 | -65.6 | -19.2 | 0 | 0 | 0 | 110.9 | L409 E410 S411 | L409-N500 WeakPolarHBondContact O-CA 3.31Å; E410-N500 VanDerWaalsContact CA-OD1 3.24Å; E410-N500 WeakPolarHBondContact CA-OD1 3.37Å; S411-N500 PolarHBondContact N-OD1 3.23Å |
| 501 | S | 74.6 | Confident | 69.6 | Low | 9 Ų | 9 | 70.6 Ų | 70.6 | 6% | 0.063 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -75 | 148.8 | 177.2 | 86.5 | 0 | 0 | 0 | 0 | 111.2 | W408 L409 T494 | W408-S501 WeakPolarHBondContact CB-O 3.22Å; L409-S501 PolarHBondContact N-OG 3.15Å; L409-S501 PolarHBondContact O-N 3.15Å; T494-S501 WeakPolarHBondContact O-CB 3.35Å |
| 502 | L | 73.3 | Confident | 68.9 | Low | 149 Ų | 149 | 69.7 Ų | 69.7 | 78% | 0.78 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 136.9 | 174.3 | -66.3 | 174.1 | 0 | 0 | 0 | 112.2 | I504 | L502-I504 PolarHBondContact O-N 2.99Š|
| 503 | P | 82.6 | Confident | 68 | Low | 83 Ų | 83 | 64.5 Ų | 64.5 | 54% | 0.539 | 35% | 0.347 | S | S | . | . | trans | -62.9 | 115.1 | 172.5 | -26 | 36.4 | 0 | 0 | 0 | 114 | T406 W408 | T406-P503 HydrophobicContact CG2-CB 3.7Å; W408-P503 HydrophobicContact CB-CG 4.4Å; W408-P503 HydrophobicContact CD2-CB 4.47Å; W408-P503 HydrophobicContact CD2-CG 4.31Å; W408-P503 HydrophobicContact CE3-CB 4.21Å; W408-P503 HydrophobicContact CE3-CG 4.49Å; W408-P503 HydrophobicContact CG-CG 4.31Å | ||
| 504 | I | 80.9 | Confident | 66.8 | Low | 29 Ų | 29 | 70.4 Ų | 70.4 | 15% | 0.149 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 114.1 | -178.5 | -70 | 149.6 | 0 | 0 | 0 | 109.3 | T406 I407 Q491 L493 L502 L506 | T406-I504 CarbonylContact C-O 3.5Å; T406-I504 VanDerWaalsContact CA-O 3.24Å; T406-I504 WeakPolarHBondContact CA-O 3.45Å; I407-I504 HydrophobicContact CG2-CB 4.22Å; I407-I504 HydrophobicContact CG2-CG2 4.41Å; I407-I504 PolarHBondContact N-O 2.92Å; I407-I504 PolarHBondContact O-N 2.93Å; Q491-I504 VanDerWaalsContact NE2-CG2 3.29Å; L493-I504 HydrophobicContact CD1-CD1 4.35Å; L493-I504 HydrophobicContact CD2-CD1 3.86Å; L493-I504 HydrophobicContact CG-CD1 3.62Å; L502-I504 PolarHBondContact O-N 2.99Å; I504-L506 HydrophobicContact CG2-CD2 3.56Å; I504-L506 HydrophobicContact CG2-CG 4.09Å |
| 505 | K | 88.2 | Confident | 65.7 | Low | 122 Ų | 122 | 69.5 Ų | 69.5 | 53% | 0.53 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 106.1 | 177.3 | -167.2 | 167.8 | -169.8 | 168.9 | 0 | 111.5 | S404 | S404-K505 WeakPolarHBondContact OG-CE 3.43Å |
| 506 | L | 86.2 | Confident | 65.1 | Low | 15 Ų | 15 | 73.6 Ų | 73.6 | 8% | 0.079 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 147 | 176.9 | -54.2 | -179.8 | 0 | 0 | 0 | 111.5 | S404 L405 I407 F487 C489 I504 | S404-L506 CarbonylContact C-O 3.47Å; S404-L506 WeakPolarHBondContact CA-O 3.06Å; S404-L506 VanDerWaalsContact CB-O 3.28Å; S404-L506 WeakPolarHBondContact CB-O 3.35Å; L405-L506 HydrophobicContact CD2-CD1 4.43Å; L405-L506 PolarHBondContact N-O 2.93Å; L405-L506 WeakPolarHBondContact O-CB 3.39Å; L405-L506 PolarHBondContact O-N 2.83Å; I407-L506 HydrophobicContact CG2-CD1 4.31Å; F487-L506 HydrophobicContact CB-CB 4Å; F487-L506 HydrophobicContact CB-CD1 4.04Å; F487-L506 HydrophobicContact CD1-CB 4.05Å; C489-L506 HydrophobicContact CB-CD1 3.82Å; C489-L506 HydrophobicContact CB-CD2 4.22Å; I504-L506 HydrophobicContact CG2-CD2 3.56Å; I504-L506 HydrophobicContact CG2-CG 4.09Å |
| 507 | I | 82.3 | Confident | 64.8 | Low | 114 Ų | 114 | 72.3 Ų | 72.3 | 59% | 0.585 | 40% | 0.397 | S | S | * | . | trans | -113.6 | 141 | 177.6 | -62.2 | 175.4 | 0 | 0 | 0 | 108 | ||||
| 508 | P | 77.9 | Confident | 64.8 | Low | 20 Ų | 20 | 68.7 Ų | 68.7 | 13% | 0.13 | 39% | 0.391 | C | S | . | . | trans | -71.2 | 140.7 | -178.5 | 29.9 | -33.9 | 0 | 0 | 0 | 111.4 | K403 Y485 I486 F487 N510 | K403-P508 WeakPolarHBondContact O-CD 3.29Å; Y485-P508 HydrophobicContact CD1-CB 4.21Å; Y485-P508 HydrophobicContact CD1-CG 4.47Å; I486-P508 CarbonylContact O-C 3.52Å; I486-P508 VanDerWaalsContact O-CA 3.29Å; I486-P508 WeakPolarHBondContact O-CA 2.96Å; F487-P508 HydrophobicContact CD1-CB 4.26Å; F487-P508 HydrophobicContact CE1-CB 3.88Å; F487-P508 HydrophobicContact CE1-CG 4.12Å; F487-P508 HydrophobicContact CE2-CB 4.45Å; F487-P508 HydrophobicContact CZ-CB 3.98Å; F487-P508 HydrophobicContact CZ-CG 4.36Å; P508-N510 PolarHBondContact O-N 2.78Å; P508-N510 VanDerWaalsContact O-N 3.17Å | ||
| 509 | A | 66.5 | Low | 64.9 | Low | 42 Ų | 42 | 69.7 Ų | 69.7 | 35% | 0.347 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -68.5 | -8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | I486 P488 | I486-A509 PolarHBondContact O-N 3.42Å; P488-A509 HydrophobicContact CG-CB 4.43Å |
| 510 | N | 66.4 | Low | 64.9 | Low | 12 Ų | 12 | 63.6 Ų | 63.6 | 6% | 0.064 | 36% | 0.364 | C | S | . | . | trans | -137 | 113.9 | -179.4 | 64.6 | -58.6 | 0 | 0 | 0 | 111.4 | V484 Y485 I486 P508 S512 L515 | V484-N510 PolarHBondContact O-ND2 2.93Å; Y485-N510 WeakPolarHBondContact CA-OD1 3.48Å; I486-N510 PolarHBondContact N-OD1 2.83Å; P508-N510 PolarHBondContact O-N 2.78Å; P508-N510 VanDerWaalsContact O-N 3.17Å; N510-S512 VanDerWaalsContact C-N 3.29Å; N510-S512 PolarHBondContact O-N 2.9Å; N510-L515 HydrophobicContact CB-CD1 3.81Å; N510-L515 HydrophobicContact CB-CD2 4.16Å; N510-L515 HydrophobicContact CB-CG 4.13Å; N510-L515 WeakPolarHBondContact ND2-CD1 3.45Å | ||
| 511 | G | 51.6 | Low | 64.2 | Low | 65 Ų | 65 | 65.2 Ų | 65.2 | 67% | 0.67 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -0.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 512 | S | 57 | Low | 63.4 | Low | 62 Ų | 62 | 67.5 Ų | 67.5 | 43% | 0.434 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | -17.7 | -174.3 | 60.5 | 0 | 0 | 0 | 0 | 115 | N510 I514 | N510-S512 VanDerWaalsContact C-N 3.29Å; N510-S512 PolarHBondContact O-N 2.9Å; S512-I514 PolarHBondContact O-N 3.41Å; S512-I514 PolarHBondContact OG-N 3.48Å |
| 513 | G | 54.9 | Low | 62.5 | Low | 1 Ų | 1 | 62.1 Ų | 62.1 | 1% | 0.01 | 35% | 0.354 | C | S | . | . | S | Bend | trans | 66.7 | -11.9 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | A483 V484 Y485 L515 | A483-G513 CarbonylContact C-O 3.56Å; A483-G513 WeakPolarHBondContact CA-O 3.08Å; V484-G513 PolarHBondContact N-O 2.92Å; Y485-G513 VanDerWaalsContact CZ-CA 3.44Å; G513-L515 PolarHBondContact O-N 3.48Å |
| 514 | I | 53 | Low | 61.3 | Low | 126 Ų | 126 | 59.5 Ų | 59.5 | 65% | 0.646 | 33% | 0.334 | S | S | * | . | trans | -96 | 96.4 | -177.2 | -57.2 | 167.2 | 0 | 0 | 0 | 108.7 | S512 | S512-I514 PolarHBondContact O-N 3.41Å; S512-I514 PolarHBondContact OG-N 3.48Å | ||
| 515 | L | 48.1 | Very low | 60.3 | Low | 28 Ų | 28 | 60.9 Ų | 60.9 | 15% | 0.147 | 35% | 0.35 | C | S | . | . | trans | -131.7 | 143.5 | 169.9 | -60.3 | 178.9 | 0 | 0 | 0 | 109.9 | I486 N510 G513 L519 I520 I523 | I486-L515 HydrophobicContact CD1-CD1 4.18Å; N510-L515 HydrophobicContact CB-CD1 3.81Å; N510-L515 HydrophobicContact CB-CD2 4.16Å; N510-L515 HydrophobicContact CB-CG 4.13Å; N510-L515 WeakPolarHBondContact ND2-CD1 3.45Å; G513-L515 PolarHBondContact O-N 3.48Å; L515-L519 HydrophobicContact CD2-CD2 3.53Å; L515-L519 HydrophobicContact CD2-CG 4.14Å; L515-I520 HydrophobicContact CB-CD1 4.21Å; L515-I520 HydrophobicContact CB-CG1 3.87Å; L515-I520 HydrophobicContact CD1-CD1 4.4Å; L515-I520 HydrophobicContact CD1-CG1 3.78Å; L515-I523 HydrophobicContact CD1-CD1 4.4Å; L515-I523 HydrophobicContact CD2-CD1 4.4Å | ||
| 516 | T | 53.7 | Low | 59.2 | Low | 87 Ų | 87 | 56.5 Ų | 56.5 | 53% | 0.534 | 33% | 0.332 | S | S | . | . | trans | -86.1 | 153.3 | 163.5 | 61.3 | 0 | 0 | 0 | 0 | 110.1 | N518 L519 I520 | T516-N518 PolarHBondContact O-N 3.15Å; T516-L519 WeakPolarHBondContact O-CA 3.39Å; T516-L519 WeakPolarHBondContact O-CB 3.36Å; T516-L519 PolarHBondContact O-N 2.94Å; T516-L519 PolarHBondContact OG1-N 3.17Å; T516-I520 PolarHBondContact O-N 2.9Å | ||
| 517 | M | 48.2 | Very low | 58 | Low | 123 Ų | 123 | 56.1 Ų | 56.1 | 61% | 0.606 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -53.8 | -37.4 | 175.4 | -75.4 | -65.7 | -72.9 | 0 | 0 | 112.7 | L519 I520 E521 | M517-L519 VanDerWaalsContact C-N 3.27Å; M517-L519 PolarHBondContact O-N 2.94Å; M517-I520 WeakPolarHBondContact O-CB 3.48Å; M517-I520 PolarHBondContact O-N 2.75Å; M517-I520 HydrophobicContact SD-CD1 4Å; M517-E521 WeakPolarHBondContact O-CG 3.21Å; M517-E521 PolarHBondContact O-N 2.86Å |
| 518 | N | 47.3 | Very low | 57.1 | Low | 117 Ų | 117 | 53.5 Ų | 53.5 | 63% | 0.626 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -60 | -34.9 | 174.4 | -62.5 | -31.3 | 0 | 0 | 0 | 113.1 | T516 T522 | T516-N518 PolarHBondContact O-N 3.15Å; N518-T522 WeakPolarHBondContact O-CB 3.45Å; N518-T522 PolarHBondContact O-N 3.17Å; N518-T522 PolarHBondContact O-OG1 2.77Å |
| 519 | L | 50.5 | Low | 56.8 | Low | 32 Ų | 32 | 53 Ų | 53 | 17% | 0.168 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -77.3 | -37.4 | 177.4 | -171.5 | 61.5 | 0 | 0 | 0 | 111 | L515 T516 M517 T522 I523 E992 | L515-L519 HydrophobicContact CD2-CD2 3.53Å; L515-L519 HydrophobicContact CD2-CG 4.14Å; T516-L519 WeakPolarHBondContact O-CA 3.39Å; T516-L519 WeakPolarHBondContact O-CB 3.36Å; T516-L519 PolarHBondContact O-N 2.94Å; T516-L519 PolarHBondContact OG1-N 3.17Å; M517-L519 VanDerWaalsContact C-N 3.27Å; M517-L519 PolarHBondContact O-N 2.94Å; L519-T522 WeakPolarHBondContact O-CB 3.34Å; L519-T522 PolarHBondContact O-N 3.33Å; L519-I523 HydrophobicContact CG-CD1 4.37Å; L519-I523 WeakPolarHBondContact O-CG1 3.33Å; L519-I523 PolarHBondContact O-N 3.17Å; L519-E992 HydrophobicContact CD1-CB 4.49Å; L519-E992 VanDerWaalsContact CD2-OE2 3.22Å; L519-E992 WeakPolarHBondContact CD2-OE2 3.19Å |
| 520 | I | 50.7 | Low | 57 | Low | 10 Ų | 10 | 51.9 Ų | 51.9 | 5% | 0.051 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.9 | -53.4 | 170.7 | -65.1 | 179.1 | 0 | 0 | 0 | 110.4 | V484 I486 L515 T516 M517 T522 I523 M524 | V484-I520 HydrophobicContact CG1-CD1 3.84Å; I486-I520 HydrophobicContact CD1-CB 4.1Å; I486-I520 HydrophobicContact CD1-CD1 4.09Å; I486-I520 HydrophobicContact CD1-CG1 3.76Å; I486-I520 HydrophobicContact CD1-CG2 3.55Å; L515-I520 HydrophobicContact CB-CD1 4.21Å; L515-I520 HydrophobicContact CB-CG1 3.87Å; L515-I520 HydrophobicContact CD1-CD1 4.4Å; L515-I520 HydrophobicContact CD1-CG1 3.78Å; T516-I520 PolarHBondContact O-N 2.9Å; M517-I520 WeakPolarHBondContact O-CB 3.48Å; M517-I520 PolarHBondContact O-N 2.75Å; M517-I520 HydrophobicContact SD-CD1 4Å; I520-T522 VanDerWaalsContact C-N 3.25Å; I520-T522 PolarHBondContact O-N 3.04Å; I520-I523 PolarHBondContact O-N 3.26Å; I520-I523 VanDerWaalsContact O-N 3.16Å; I520-M524 HydrophobicContact CG2-CG 4.45Å; I520-M524 WeakPolarHBondContact O-CG 3.47Å; I520-M524 PolarHBondContact O-N 3.45Å |
| 521 | E | 54.2 | Low | 57.1 | Low | 123 Ų | 123 | 54.7 Ų | 54.7 | 58% | 0.575 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -56.6 | -39.9 | 174.8 | -73.3 | -177 | -178.7 | 0 | 0 | 112 | M517 M524 A525 | M517-E521 WeakPolarHBondContact O-CG 3.21Å; M517-E521 PolarHBondContact O-N 2.86Å; E521-M524 PolarHBondContact O-N 3.22Å; E521-A525 WeakPolarHBondContact O-CB 3.46Å; E521-A525 PolarHBondContact O-N 3.33Å |
| 522 | T | 58.1 | Low | 58.4 | Low | 57 Ų | 57 | 53.3 Ų | 53.3 | 35% | 0.35 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 177.4 | -64.2 | 0 | 0 | 0 | 0 | 112.1 | N518 L519 I520 H526 | N518-T522 WeakPolarHBondContact O-CB 3.45Å; N518-T522 PolarHBondContact O-N 3.17Å; N518-T522 PolarHBondContact O-OG1 2.77Å; L519-T522 WeakPolarHBondContact O-CB 3.34Å; L519-T522 PolarHBondContact O-N 3.33Å; I520-T522 VanDerWaalsContact C-N 3.25Å; I520-T522 PolarHBondContact O-N 3.04Å; T522-H526 VanDerWaalsContact O-CB 3.3Å; T522-H526 WeakPolarHBondContact O-CB 3.48Å; T522-H526 PolarHBondContact O-N 3Å |
| 523 | I | 55.2 | Low | 59.8 | Low | 37 Ų | 37 | 52 Ų | 52 | 19% | 0.19 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.3 | -48.8 | 176.4 | -68.4 | 163.7 | 0 | 0 | 0 | 110.2 | L515 L519 I520 A525 H526 Q527 M996 | L515-I523 HydrophobicContact CD1-CD1 4.4Å; L515-I523 HydrophobicContact CD2-CD1 4.4Å; L519-I523 HydrophobicContact CG-CD1 4.37Å; L519-I523 WeakPolarHBondContact O-CG1 3.33Å; L519-I523 PolarHBondContact O-N 3.17Å; I520-I523 PolarHBondContact O-N 3.26Å; I520-I523 VanDerWaalsContact O-N 3.16Å; I523-A525 PolarHBondContact O-N 3Å; I523-H526 WeakPolarHBondContact O-CB 3.3Å; I523-H526 PolarHBondContact O-N 2.8Å; I523-H526 VanDerWaalsContact O-N 3.11Å; I523-Q527 WeakPolarHBondContact O-CG 3.49Å; I523-Q527 PolarHBondContact O-N 2.76Å; I523-M996 HydrophobicContact CG2-CG 4.39Å |
| 524 | M | 56.2 | Low | 60.8 | Low | 27 Ų | 27 | 54.8 Ų | 54.8 | 13% | 0.133 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63 | -42.6 | 179.3 | -64.8 | -58.1 | -71.5 | 0 | 0 | 111.8 | Y440 F490 I520 E521 H526 Q527 N528 | Y440-M524 HydrophobicContact CD1-CE 3.52Å; Y440-M524 HydrophobicContact CE1-CE 3.45Å; Y440-M524 VanDerWaalsContact CE1-CE 3.45Å; Y440-M524 HydrophobicContact CG-CE 4.27Å; F490-M524 HydrophobicContact CZ-CE 4.33Å; I520-M524 HydrophobicContact CG2-CG 4.45Å; I520-M524 WeakPolarHBondContact O-CG 3.47Å; I520-M524 PolarHBondContact O-N 3.45Å; E521-M524 PolarHBondContact O-N 3.22Å; M524-H526 VanDerWaalsContact C-N 3.3Å; M524-H526 PolarHBondContact O-N 2.8Å; M524-Q527 PolarHBondContact O-N 2.74Å; M524-N528 WeakPolarHBondContact O-CB 3.44Å; M524-N528 VanDerWaalsContact O-CG 3.29Å; M524-N528 PolarHBondContact O-N 3.31Å; M524-N528 PolarHBondContact O-ND2 3.24Å |
| 525 | A | 60.8 | Low | 61.8 | Low | 58 Ų | 58 | 49.8 Ų | 49.8 | 48% | 0.479 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.5 | -36 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E521 I523 E529 | E521-A525 WeakPolarHBondContact O-CB 3.46Å; E521-A525 PolarHBondContact O-N 3.33Å; I523-A525 PolarHBondContact O-N 3Å; A525-E529 WeakPolarHBondContact O-CB 3.39Å; A525-E529 PolarHBondContact O-N 2.76Å |
| 526 | H | 64.2 | Low | 63.6 | Low | 31 Ų | 31 | 48.5 Ų | 48.5 | 14% | 0.144 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.8 | -39.7 | 175.6 | -164.1 | 125.2 | 0 | 0 | 0 | 112.1 | T522 I523 M524 Q530 N993 K997 | T522-H526 VanDerWaalsContact O-CB 3.3Å; T522-H526 WeakPolarHBondContact O-CB 3.48Å; T522-H526 PolarHBondContact O-N 3Å; I523-H526 WeakPolarHBondContact O-CB 3.3Å; I523-H526 PolarHBondContact O-N 2.8Å; I523-H526 VanDerWaalsContact O-N 3.11Å; M524-H526 VanDerWaalsContact C-N 3.3Å; M524-H526 PolarHBondContact O-N 2.8Å; H526-Q530 PolarHBondContact O-N 2.77Å; H526-N993 PolarHBondContact CE1-O 3.41Å; H526-N993 PolarHBondContact ND1-O 2.83Å; H526-N993 PolarHBondContact ND1-OD1 3.06Å; H526-K997 PolarHBondContact CD2-NZ 3.03Å; H526-K997 WeakPolarHBondContact NE2-CD 3.2Å; H526-K997 VanDerWaalsContact NE2-CE 3.3Å; H526-K997 WeakPolarHBondContact NE2-CE 3.4Å; H526-K997 WeakPolarHBondContact NE2-CG 3.35Å; H526-K997 PolarHBondContact NE2-NZ 3.05Å |
| 527 | Q | 60.8 | Low | 65.2 | Low | 7 Ų | 7 | 48.5 Ų | 48.5 | 3% | 0.033 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.8 | -53.1 | 173.3 | -68.1 | 178 | 10.2 | 0 | 0 | 110.9 | I523 M524 E529 Q530 I531 M996 | I523-Q527 WeakPolarHBondContact O-CG 3.49Å; I523-Q527 PolarHBondContact O-N 2.76Å; M524-Q527 PolarHBondContact O-N 2.74Å; Q527-E529 VanDerWaalsContact C-N 3.32Å; Q527-E529 PolarHBondContact O-N 3.07Å; Q527-Q530 WeakPolarHBondContact O-CG 3.31Å; Q527-Q530 PolarHBondContact O-N 3.16Å; Q527-Q530 VanDerWaalsContact O-N 3.1Å; Q527-I531 PolarHBondContact O-N 2.75Å; Q527-M996 HydrophobicContact CG-CB 4.11Å; Q527-M996 HydrophobicContact CG-CE 3.93Å; Q527-M996 HydrophobicContact CG-CG 3.76Å; Q527-M996 HydrophobicContact CG-SD 4.42Å |
| 528 | N | 64.9 | Low | 66.9 | Low | 59 Ų | 59 | 43 Ų | 43 | 32% | 0.316 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -56.5 | -43.6 | 178.5 | -71.8 | -20.4 | 0 | 0 | 0 | 112 | M524 Q530 I531 F532 | M524-N528 WeakPolarHBondContact O-CB 3.44Å; M524-N528 VanDerWaalsContact O-CG 3.29Å; M524-N528 PolarHBondContact O-N 3.31Å; M524-N528 PolarHBondContact O-ND2 3.24Å; N528-Q530 VanDerWaalsContact C-N 3.29Å; N528-Q530 PolarHBondContact O-N 2.65Å; N528-I531 PolarHBondContact O-N 3.35Å; N528-I531 VanDerWaalsContact O-N 3.12Å; N528-F532 HydrophobicContact CB-CD2 4.36Å; N528-F532 HydrophobicContact CB-CE2 3.75Å; N528-F532 HydrophobicContact CB-CZ 4.1Å; N528-F532 WeakPolarHBondContact O-CD2 3.29Å; N528-F532 WeakPolarHBondContact O-CG 3.5Å; N528-F532 PolarHBondContact O-N 2.83Å |
| 529 | E | 71.3 | Confident | 69 | Low | 9 Ų | 9 | 38.1 Ų | 38.1 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.9 | -37.6 | 177.4 | -167 | -144.1 | 170.2 | 0 | 0 | 113.1 | A525 Q527 W533 R689 P690 K997 | A525-E529 WeakPolarHBondContact O-CB 3.39Å; A525-E529 PolarHBondContact O-N 2.76Å; Q527-E529 VanDerWaalsContact C-N 3.32Å; Q527-E529 PolarHBondContact O-N 3.07Å; E529-W533 WeakPolarHBondContact O-CB 3.5Å; E529-W533 PolarHBondContact O-N 2.99Å; E529-R689 VanDerWaalsContact CD-CZ 3.43Å; E529-R689 WeakPolarHBondContact OE1-CD 3.44Å; E529-R689 IonicContact OE1-CZ 3.45Å; E529-R689 IonicContact OE1-NE 2.64Å; E529-R689 IonicContact OE1-NH1 3.55Å; E529-R689 PolarHBondContact OE1-NH1 3.49Å; E529-R689 IonicContact OE2-CZ 2.83Å; E529-R689 IonicContact OE2-NH1 2.7Å; E529-R689 PolarHBondContact OE2-NH1 2.68Å; E529-R689 IonicContact OE2-NH2 3.22Å; E529-P690 HydrophobicContact CG-CG 4.27Å; E529-P690 WeakPolarHBondContact O-CG 3.27Å; E529-K997 IonicContact OE2-NZ 3.44Å; E529-K997 PolarHBondContact OE2-NZ 2.88Å |
| 530 | Q | 70.7 | Confident | 70.9 | Confident | 19 Ų | 19 | 36.6 Ų | 36.6 | 9% | 0.089 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -79.1 | -29.5 | 176.8 | 53.4 | 175.5 | -25.2 | 0 | 0 | 113.6 | H526 Q527 N528 W533 Q534 M996 K997 K1089 | H526-Q530 PolarHBondContact O-N 2.77Å; Q527-Q530 WeakPolarHBondContact O-CG 3.31Å; Q527-Q530 PolarHBondContact O-N 3.16Å; Q527-Q530 VanDerWaalsContact O-N 3.1Å; N528-Q530 VanDerWaalsContact C-N 3.29Å; N528-Q530 PolarHBondContact O-N 2.65Å; Q530-W533 PolarHBondContact O-N 3.03Å; Q530-Q534 WeakPolarHBondContact O-CG 3.37Å; Q530-Q534 PolarHBondContact O-N 2.89Å; Q530-M996 VanDerWaalsContact NE2-C 3.33Å; Q530-M996 PolarHBondContact NE2-O 3.21Å; Q530-K997 HydrophobicContact CB-CG 4.27Å; Q530-K997 HydrophobicContact CG-CG 4.31Å; Q530-K997 VanDerWaalsContact OE1-CG 3.26Å; Q530-K1089 VanDerWaalsContact OE1-CE 3.3Å |
| 531 | I | 67.7 | Low | 72.5 | Confident | 71 Ų | 71 | 40.4 Ų | 40.4 | 36% | 0.364 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -61.7 | -51.5 | 169.8 | -63.7 | 168.5 | 0 | 0 | 0 | 108.8 | Q527 N528 W533 Q534 V535 | Q527-I531 PolarHBondContact O-N 2.75Å; N528-I531 PolarHBondContact O-N 3.35Å; N528-I531 VanDerWaalsContact O-N 3.12Å; I531-W533 VanDerWaalsContact C-N 3.3Å; I531-W533 PolarHBondContact O-N 3.42Å; I531-Q534 PolarHBondContact O-N 3.01Å; I531-Q534 VanDerWaalsContact O-N 3.1Å; I531-V535 PolarHBondContact O-N 3.07Å |
| 532 | F | 79.7 | Confident | 73.9 | Confident | 36 Ų | 36 | 37.1 Ų | 37.1 | 16% | 0.158 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.5 | -37.2 | 175.6 | -53.8 | -37.6 | 0 | 0 | 0 | 112.3 | N528 V535 E536 P690 Q691 I756 | N528-F532 HydrophobicContact CB-CD2 4.36Å; N528-F532 HydrophobicContact CB-CE2 3.75Å; N528-F532 HydrophobicContact CB-CZ 4.1Å; N528-F532 WeakPolarHBondContact O-CD2 3.29Å; N528-F532 WeakPolarHBondContact O-CG 3.5Å; N528-F532 PolarHBondContact O-N 2.83Å; F532-V535 PolarHBondContact O-N 2.87Å; F532-E536 WeakPolarHBondContact O-CB 3.29Å; F532-E536 WeakPolarHBondContact O-CG 3.41Å; F532-E536 PolarHBondContact O-N 2.72Å; F532-P690 HydrophobicContact CB-CB 3.83Å; F532-P690 HydrophobicContact CB-CG 4.1Å; F532-Q691 WeakPolarHBondContact CD2-O 3.47Å; F532-Q691 VanDerWaalsContact CE2-C 3.48Å; F532-Q691 WeakPolarHBondContact CG-O 3.36Å; F532-I756 HydrophobicContact CD1-CD1 3.7Å; F532-I756 HydrophobicContact CE1-CD1 3.78Å |
| 533 | W | 84.7 | Confident | 75.1 | Confident | 35 Ų | 35 | 37.3 Ų | 37.3 | 13% | 0.133 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.9 | -38.2 | 173.8 | -178.7 | -111.1 | 0 | 0 | 0 | 113.1 | E529 Q530 I531 V535 E536 K537 F540 K648 C649 I688 P690 | E529-W533 WeakPolarHBondContact O-CB 3.5Å; E529-W533 PolarHBondContact O-N 2.99Å; Q530-W533 PolarHBondContact O-N 3.03Å; I531-W533 VanDerWaalsContact C-N 3.3Å; I531-W533 PolarHBondContact O-N 3.42Å; W533-V535 PolarHBondContact O-N 2.88Å; W533-E536 PolarHBondContact O-N 3.01Å; W533-K537 HydrophobicContact CD2-CB 4.41Å; W533-K537 HydrophobicContact CZ2-CB 4.05Å; W533-K537 VanDerWaalsContact O-CB 3.25Å; W533-K537 WeakPolarHBondContact O-CB 3.04Å; W533-K537 PolarHBondContact O-N 2.94Å; W533-F540 HydrophobicContact CH2-CB 4.04Å; W533-F540 HydrophobicContact CH2-CD2 4.39Å; W533-F540 HydrophobicContact CH2-CG 4.46Å; W533-F540 HydrophobicContact CZ3-CB 4.42Å; W533-F540 AromaticContact CZ3-CD2 3.94Å; W533-F540 HydrophobicContact CZ3-CD2 3.94Å; W533-F540 HydrophobicContact CZ3-CG 4.36Å; W533-K648 WeakPolarHBondContact CZ2-O 3.33Å; W533-C649 HydrophobicContact CD2-CB 4.17Å; W533-C649 HydrophobicContact CE3-CB 4.3Å; W533-C649 HydrophobicContact CH2-CB 3.96Å; W533-C649 HydrophobicContact CZ2-CB 3.8Å; W533-C649 HydrophobicContact CZ3-CB 4.2Å; W533-I688 HydrophobicContact CH2-CB 4.5Å; W533-I688 HydrophobicContact CZ3-CB 3.82Å; W533-I688 HydrophobicContact CZ3-CG1 4.36Å; W533-I688 HydrophobicContact CZ3-CG2 3.95Å; W533-P690 HydrophobicContact CB-CG 3.77Å; W533-P690 HydrophobicContact CE3-CG 4.18Å |
| 534 | Q | 75.9 | Confident | 76.7 | Confident | 59 Ų | 59 | 35.8 Ų | 35.8 | 28% | 0.276 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.6 | -32 | 177.1 | -70.5 | -70.4 | 15.5 | 0 | 0 | 112.2 | Q530 I531 K537 | Q530-Q534 WeakPolarHBondContact O-CG 3.37Å; Q530-Q534 PolarHBondContact O-N 2.89Å; I531-Q534 PolarHBondContact O-N 3.01Å; I531-Q534 VanDerWaalsContact O-N 3.1Å; Q534-K537 WeakPolarHBondContact O-CD 3.43Å; Q534-K537 WeakPolarHBondContact O-CE 3.35Å; Q534-K537 WeakPolarHBondContact O-CG 3.49Å; Q534-K537 PolarHBondContact O-NZ 3.19Å |
| 535 | V | 75.8 | Confident | 78.3 | Confident | 20 Ų | 20 | 38.3 Ų | 38.3 | 12% | 0.121 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -79.5 | -40 | 175.8 | 179.6 | 0 | 0 | 0 | 0 | 112 | I531 F532 W533 W538 I756 | I531-V535 PolarHBondContact O-N 3.07Å; F532-V535 PolarHBondContact O-N 2.87Å; W533-V535 PolarHBondContact O-N 2.88Å; V535-W538 PolarHBondContact O-NE1 2.69Å; V535-I756 HydrophobicContact CG1-CG1 4.4Å; V535-I756 HydrophobicContact CG2-CG1 4.31Å; V535-I756 HydrophobicContact CG2-CG2 3.75Å |
| 536 | E | 85.3 | Confident | 79.7 | Confident | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.009 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -91.4 | -15.9 | -170.7 | -70.2 | -68.2 | 119.3 | 0 | 0 | 114 | F532 W533 W538 K539 F540 P690 R694 | F532-E536 WeakPolarHBondContact O-CB 3.29Å; F532-E536 WeakPolarHBondContact O-CG 3.41Å; F532-E536 PolarHBondContact O-N 2.72Å; W533-E536 PolarHBondContact O-N 3.01Å; E536-W538 PolarHBondContact O-N 3.07Å; E536-K539 PolarHBondContact O-N 3.49Å; E536-K539 VanDerWaalsContact O-N 3.12Å; E536-K539 WeakPolarHBondContact OE1-CE 3.47Å; E536-K539 IonicContact OE1-NZ 3.22Å; E536-K539 PolarHBondContact OE1-NZ 3.18Å; E536-K539 VanDerWaalsContact OE2-CD 3.25Å; E536-K539 WeakPolarHBondContact OE2-CD 3.34Å; E536-K539 WeakPolarHBondContact OE2-CE 3.48Å; E536-K539 IonicContact OE2-NZ 3.43Å; E536-K539 PolarHBondContact OE2-NZ 2.83Å; E536-F540 WeakPolarHBondContact O-CD2 3.28Å; E536-P690 HydrophobicContact CB-CB 4.44Å; E536-R694 WeakPolarHBondContact OE1-CD 3.31Å; E536-R694 IonicContact OE1-NH1 3.91Å |
| 537 | K | 86.3 | Confident | 81 | Confident | 86 Ų | 86 | 34.3 Ų | 34.3 | 37% | 0.374 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50 | -31.7 | -177.6 | 66.1 | -169.1 | 175.3 | -158.5 | 0 | 114.8 | W533 Q534 K539 F540 K541 | W533-K537 HydrophobicContact CD2-CB 4.41Å; W533-K537 HydrophobicContact CZ2-CB 4.05Å; W533-K537 VanDerWaalsContact O-CB 3.25Å; W533-K537 WeakPolarHBondContact O-CB 3.04Å; W533-K537 PolarHBondContact O-N 2.94Å; Q534-K537 WeakPolarHBondContact O-CD 3.43Å; Q534-K537 WeakPolarHBondContact O-CE 3.35Å; Q534-K537 WeakPolarHBondContact O-CG 3.49Å; Q534-K537 PolarHBondContact O-NZ 3.19Å; K537-K539 VanDerWaalsContact C-N 3.34Å; K537-K539 PolarHBondContact O-N 3.33Å; K537-F540 CarbonylContact O-C 3.58Å; K537-F540 PolarHBondContact O-N 3.29Å; K537-F540 VanDerWaalsContact O-N 3.16Å; K537-K541 PolarHBondContact O-N 2.92Å |
| 538 | W | 85.3 | Confident | 82.5 | Confident | 7 Ų | 7 | 34 Ų | 34 | 3% | 0.027 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -33.7 | -175.5 | 69.1 | -96.5 | 0 | 0 | 0 | 112.4 | V535 E536 F540 K541 V740 P884 E885 V886 | V535-W538 PolarHBondContact O-NE1 2.69Å; E536-W538 PolarHBondContact O-N 3.07Å; W538-F540 PolarHBondContact O-N 3.35Å; W538-K541 HydrophobicContact CB-CD 4.39Å; W538-K541 WeakPolarHBondContact O-CG 3.38Å; W538-K541 PolarHBondContact O-N 3.06Å; W538-V740 HydrophobicContact CH2-CB 4.44Å; W538-V740 HydrophobicContact CH2-CG2 4.22Å; W538-V740 HydrophobicContact CZ3-CB 4.25Å; W538-V740 HydrophobicContact CZ3-CG1 4.23Å; W538-V740 HydrophobicContact CZ3-CG2 4Å; W538-P884 WeakPolarHBondContact CH2-O 3.05Å; W538-P884 WeakPolarHBondContact CZ2-O 3.48Å; W538-E885 VanDerWaalsContact CD1-CG 3.46Å; W538-E885 HydrophobicContact CD2-CG 4.21Å; W538-E885 HydrophobicContact CG-CG 3.96Å; W538-E885 HydrophobicContact CZ2-CB 4.39Å; W538-E885 PolarHBondContact NE1-OE2 2.88Å; W538-V886 HydrophobicContact CE3-CB 3.9Å; W538-V886 HydrophobicContact CE3-CG2 4.3Å; W538-V886 HydrophobicContact CH2-CG2 4.16Å; W538-V886 HydrophobicContact CZ3-CB 3.77Å; W538-V886 HydrophobicContact CZ3-CG2 3.65Å |
| 539 | K | 89.8 | Confident | 83.8 | Confident | 15 Ų | 15 | 32.4 Ų | 32.4 | 7% | 0.065 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -32.8 | 174.9 | -55.9 | -174.5 | -172.2 | 167.1 | 0 | 110.8 | E536 K537 T544 I546 P738 V740 | E536-K539 PolarHBondContact O-N 3.49Å; E536-K539 VanDerWaalsContact O-N 3.12Å; E536-K539 WeakPolarHBondContact OE1-CE 3.47Å; E536-K539 IonicContact OE1-NZ 3.22Å; E536-K539 PolarHBondContact OE1-NZ 3.18Å; E536-K539 VanDerWaalsContact OE2-CD 3.25Å; E536-K539 WeakPolarHBondContact OE2-CD 3.34Å; E536-K539 WeakPolarHBondContact OE2-CE 3.48Å; E536-K539 IonicContact OE2-NZ 3.43Å; E536-K539 PolarHBondContact OE2-NZ 2.83Å; K537-K539 VanDerWaalsContact C-N 3.34Å; K537-K539 PolarHBondContact O-N 3.33Å; K539-T544 WeakPolarHBondContact O-CB 3.23Å; K539-T544 WeakPolarHBondContact O-CG2 3.33Å; K539-I546 WeakPolarHBondContact O-CD1 3.4Å; K539-P738 HydrophobicContact CD-CB 4.23Å; K539-P738 HydrophobicContact CD-CG 3.77Å; K539-V740 HydrophobicContact CB-CG2 3.7Å; K539-V740 HydrophobicContact CD-CG2 4.18Å; K539-V740 HydrophobicContact CG-CG2 3.74Å |
| 540 | F | 90.8 | Very high | 84.6 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 24.3 | -178.6 | -55.1 | -80.4 | 0 | 0 | 0 | 113.4 | W533 E536 K537 W538 I546 F548 R651 F653 I688 I696 P738 | W533-F540 HydrophobicContact CH2-CB 4.04Å; W533-F540 HydrophobicContact CH2-CD2 4.39Å; W533-F540 HydrophobicContact CH2-CG 4.46Å; W533-F540 HydrophobicContact CZ3-CB 4.42Å; W533-F540 AromaticContact CZ3-CD2 3.94Å; W533-F540 HydrophobicContact CZ3-CD2 3.94Å; W533-F540 HydrophobicContact CZ3-CG 4.36Å; E536-F540 WeakPolarHBondContact O-CD2 3.28Å; K537-F540 CarbonylContact O-C 3.58Å; K537-F540 PolarHBondContact O-N 3.29Å; K537-F540 VanDerWaalsContact O-N 3.16Å; W538-F540 PolarHBondContact O-N 3.35Å; F540-I546 HydrophobicContact CD1-CD1 3.69Å; F540-I546 HydrophobicContact CE1-CD1 3.63Å; F540-I546 HydrophobicContact CG-CD1 4.5Å; F540-I546 HydrophobicContact CZ-CD1 4.38Å; F540-F548 HydrophobicContact CE1-CE1 4.04Å; F540-F548 HydrophobicContact CE1-CZ 4.18Å; F540-F548 HydrophobicContact CZ-CE1 4.39Å; F540-R651 HydrophobicContact CB-CG 4.4Å; F540-R651 PolarHBondContact O-NE 2.81Å; F540-R651 PolarHBondContact O-NH2 3.24Å; F540-F653 HydrophobicContact CD1-CE1 4.32Å; F540-F653 HydrophobicContact CD1-CZ 4.19Å; F540-F653 HydrophobicContact CE1-CE1 4.46Å; F540-F653 HydrophobicContact CE1-CZ 4.19Å; F540-I688 HydrophobicContact CD1-CD1 4.22Å; F540-I688 HydrophobicContact CD1-CG1 4.02Å; F540-I688 HydrophobicContact CD2-CG2 4.26Å; F540-I688 HydrophobicContact CE1-CD1 4.1Å; F540-I688 HydrophobicContact CE1-CG1 4.21Å; F540-I688 HydrophobicContact CE1-CG2 4.18Å; F540-I688 HydrophobicContact CE2-CG2 3.88Å; F540-I688 HydrophobicContact CG-CG1 4.32Å; F540-I688 HydrophobicContact CZ-CG2 3.83Å; F540-I696 HydrophobicContact CE1-CD1 4.49Å; F540-I696 HydrophobicContact CE2-CG2 4.13Å; F540-I696 HydrophobicContact CZ-CD1 4.08Å; F540-I696 HydrophobicContact CZ-CG1 4.22Å; F540-I696 HydrophobicContact CZ-CG2 4.11Å; F540-P738 HydrophobicContact CE2-CG 4.31Å; F540-P738 HydrophobicContact CZ-CB 3.84Å; F540-P738 HydrophobicContact CZ-CG 4Å |
| 541 | K | 85.6 | Confident | 85.3 | Confident | 91 Ų | 91 | 37.3 Ų | 37.3 | 40% | 0.396 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -68.5 | 134.6 | 163.3 | -72.4 | 167.7 | 179.6 | 170.8 | 0 | 109.3 | K537 W538 T544 | K537-K541 PolarHBondContact O-N 2.92Å; W538-K541 HydrophobicContact CB-CD 4.39Å; W538-K541 WeakPolarHBondContact O-CG 3.38Å; W538-K541 PolarHBondContact O-N 3.06Å; K541-T544 WeakPolarHBondContact O-CB 3.37Å; K541-T544 PolarHBondContact O-N 2.77Å; K541-T544 PolarHBondContact O-OG1 2.99Å |
| 542 | P | 83.2 | Confident | 86.1 | Confident | 53 Ų | 53 | 37.1 Ų | 37.1 | 34% | 0.344 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 148.8 | 175.8 | -25.7 | 34.2 | 0 | 0 | 0 | 113.2 | T544 V587 Y589 | P542-T544 PolarHBondContact O-N 2.89Å; P542-V587 CarbonylContact C-O 3.48Å; P542-V587 WeakPolarHBondContact CA-O 3.38Å; P542-Y589 HydrophobicContact CG-CD1 3.73Å; P542-Y589 HydrophobicContact CG-CD2 3.88Å; P542-Y589 HydrophobicContact CG-CE1 3.53Å; P542-Y589 HydrophobicContact CG-CE2 3.71Å; P542-Y589 HydrophobicContact CG-CG 3.89Å |
| 543 | G | 82.5 | Confident | 86.2 | Confident | 61 Ų | 61 | 36.5 Ų | 36.5 | 63% | 0.629 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.1 | -12.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | V587 | G543-V587 PolarHBondContact N-O 2.79Š|
| 544 | T | 88.2 | Confident | 86 | Confident | 5 Ų | 5 | 36.6 Ų | 36.6 | 3% | 0.031 | 20% | 0.197 | C | C | . | . | trans | -62.6 | 147.6 | 168.6 | -55.4 | 0 | 0 | 0 | 0 | 110.1 | K539 K541 P542 I546 V587 V740 Y889 | K539-T544 WeakPolarHBondContact O-CB 3.23Å; K539-T544 WeakPolarHBondContact O-CG2 3.33Å; K541-T544 WeakPolarHBondContact O-CB 3.37Å; K541-T544 PolarHBondContact O-N 2.77Å; K541-T544 PolarHBondContact O-OG1 2.99Å; P542-T544 PolarHBondContact O-N 2.89Å; T544-I546 HydrophobicContact CG2-CG1 4.21Å; T544-V587 WeakPolarHBondContact O-CG2 3.46Å; T544-V587 PolarHBondContact O-N 2.88Å; T544-V740 HydrophobicContact CG2-CG1 3.62Å; T544-V740 HydrophobicContact CG2-CG2 4.12Å; T544-Y889 VanDerWaalsContact CG2-OH 3.22Å; T544-Y889 WeakPolarHBondContact CG2-OH 3.34Å; T544-Y889 PolarHBondContact OG1-OH 2.75Å | ||
| 545 | K | 90.1 | Very high | 86.5 | Confident | 81 Ų | 81 | 34 Ų | 34 | 35% | 0.352 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 118.4 | 175.6 | -59.1 | -157.1 | -178.3 | -142.6 | 0 | 109.8 | V584 F585 N586 A656 K741 | K545-V584 HydrophobicContact CB-CG1 3.78Å; K545-V584 HydrophobicContact CD-CG1 4.16Å; K545-V584 HydrophobicContact CG-CG1 4.46Å; K545-F585 CarbonylContact C-O 3.56Å; K545-F585 WeakPolarHBondContact CA-O 3.36Å; K545-N586 WeakPolarHBondContact CD-OD1 3.23Å; K545-N586 WeakPolarHBondContact CE-OD1 3.45Å; K545-N586 PolarHBondContact NZ-OD1 2.84Å; K545-A656 HydrophobicContact CD-CB 4.44Å; K545-K741 HydrophobicContact CB-CB 4.19Å; K545-K741 PolarHBondContact O-N 3.33Å |
| 546 | I | 91.7 | Very high | 87.2 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 147.4 | -176.1 | -56.9 | -178.9 | 0 | 0 | 0 | 110.1 | K539 F540 T544 F548 F585 V587 F653 P738 Y739 V740 | K539-I546 WeakPolarHBondContact O-CD1 3.4Å; F540-I546 HydrophobicContact CD1-CD1 3.69Å; F540-I546 HydrophobicContact CE1-CD1 3.63Å; F540-I546 HydrophobicContact CG-CD1 4.5Å; F540-I546 HydrophobicContact CZ-CD1 4.38Å; T544-I546 HydrophobicContact CG2-CG1 4.21Å; I546-F548 HydrophobicContact CD1-CZ 4.41Å; I546-F548 HydrophobicContact CG2-CD1 4.05Å; I546-F548 HydrophobicContact CG2-CD2 4.47Å; I546-F548 HydrophobicContact CG2-CE1 3.82Å; I546-F548 HydrophobicContact CG2-CE2 4.27Å; I546-F548 HydrophobicContact CG2-CG 4.36Å; I546-F548 HydrophobicContact CG2-CZ 3.94Å; I546-F585 PolarHBondContact N-O 2.94Å; I546-F585 PolarHBondContact O-N 2.87Å; I546-V587 HydrophobicContact CD1-CG2 3.5Å; I546-V587 VanDerWaalsContact CD1-CG2 3.5Å; I546-V587 HydrophobicContact CG1-CG2 3.79Å; I546-F653 HydrophobicContact CD1-CE1 4.41Å; I546-P738 HydrophobicContact CG2-CB 4.03Å; I546-Y739 CarbonylContact C-O 3.48Å; I546-Y739 WeakPolarHBondContact CA-O 3.44Å; I546-V740 HydrophobicContact CG1-CG2 4.44Å |
| 547 | I | 91.6 | Very high | 87.4 | Confident | 4 Ų | 4 | 33.5 Ų | 33.5 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 129.6 | 155.4 | -58.3 | 174.6 | 0 | 0 | 0 | 106.5 | Y549 P556 V584 Y739 K741 | I547-Y549 HydrophobicContact CB-CE2 4.23Å; I547-Y549 HydrophobicContact CG2-CD2 4.25Å; I547-Y549 HydrophobicContact CG2-CE2 3.82Å; I547-P556 HydrophobicContact CG2-CB 3.72Å; I547-V584 HydrophobicContact CD1-CG2 4.3Å; I547-V584 HydrophobicContact CG1-CG2 4.15Å; I547-Y739 HydrophobicContact CB-CD1 4.43Å; I547-Y739 HydrophobicContact CD1-CD1 4.4Å; I547-Y739 PolarHBondContact N-O 3.3Å; I547-Y739 PolarHBondContact O-N 3.47Å; I547-K741 HydrophobicContact CD1-CD 4.06Å; I547-K741 HydrophobicContact CD1-CG 4.45Å; I547-K741 HydrophobicContact CG1-CD 4.42Å |
| 548 | F | 92 | Very high | 87.4 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 132.6 | 171.2 | -64 | -69.8 | 0 | 0 | 0 | 109.9 | F540 I546 P556 M557 F585 F653 M663 I696 L698 F736 P738 | F540-F548 HydrophobicContact CE1-CE1 4.04Å; F540-F548 HydrophobicContact CE1-CZ 4.18Å; F540-F548 HydrophobicContact CZ-CE1 4.39Å; I546-F548 HydrophobicContact CD1-CZ 4.41Å; I546-F548 HydrophobicContact CG2-CD1 4.05Å; I546-F548 HydrophobicContact CG2-CD2 4.47Å; I546-F548 HydrophobicContact CG2-CE1 3.82Å; I546-F548 HydrophobicContact CG2-CE2 4.27Å; I546-F548 HydrophobicContact CG2-CG 4.36Å; I546-F548 HydrophobicContact CG2-CZ 3.94Å; F548-P556 CarbonylContact O-C 3.59Å; F548-P556 VanDerWaalsContact O-CA 3.28Å; F548-P556 WeakPolarHBondContact O-CA 3.39Å; F548-M557 HydrophobicContact CB-CE 4.27Å; F548-M557 HydrophobicContact CB-CG 4.05Å; F548-M557 HydrophobicContact CB-SD 3.86Å; F548-M557 HydrophobicContact CD2-SD 3.88Å; F548-M557 HydrophobicContact CG-SD 4.25Å; F548-M557 PolarHBondContact O-N 2.79Å; F548-F585 AromaticContact CD2-CD2 3.99Å; F548-F585 HydrophobicContact CD2-CD2 3.99Å; F548-F585 HydrophobicContact CD2-CE2 4.33Å; F548-F585 HydrophobicContact CE2-CD2 4.25Å; F548-F653 HydrophobicContact CE2-CD1 4.13Å; F548-F653 HydrophobicContact CE2-CD2 4.45Å; F548-F653 HydrophobicContact CE2-CE1 4.05Å; F548-F653 HydrophobicContact CE2-CE2 4.38Å; F548-F653 HydrophobicContact CE2-CG 4.34Å; F548-F653 HydrophobicContact CE2-CZ 4.18Å; F548-F653 HydrophobicContact CZ-CD1 4.22Å; F548-F653 AromaticContact CZ-CE1 3.66Å; F548-F653 HydrophobicContact CZ-CE1 3.66Å; F548-F653 HydrophobicContact CZ-CE2 4.13Å; F548-F653 AromaticContact CZ-CZ 3.61Å; F548-F653 HydrophobicContact CZ-CZ 3.61Å; F548-M663 HydrophobicContact CD2-CE 4.3Å; F548-M663 HydrophobicContact CE2-CE 4.29Å; F548-I696 HydrophobicContact CD1-CD1 4.25Å; F548-I696 HydrophobicContact CE1-CD1 3.8Å; F548-L698 HydrophobicContact CZ-CD2 4.48Å; F548-F736 HydrophobicContact CB-CD1 4.38Å; F548-F736 HydrophobicContact CD1-CB 4.4Å; F548-P738 HydrophobicContact CD1-CB 4.29Å; F548-P738 HydrophobicContact CE1-CB 4.13Å |
| 549 | Y | 90.7 | Very high | 87.3 | Confident | 27 Ų | 27 | 33.1 Ų | 33.1 | 11% | 0.106 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 134.1 | 168.4 | -73.5 | -95.3 | 0 | 0 | 0 | 109.4 | I547 G554 A555 P556 F736 L737 Y739 R843 C844 | I547-Y549 HydrophobicContact CB-CE2 4.23Å; I547-Y549 HydrophobicContact CG2-CD2 4.25Å; I547-Y549 HydrophobicContact CG2-CE2 3.82Å; Y549-G554 WeakPolarHBondContact CD1-O 3.29Å; Y549-A555 WeakPolarHBondContact CA-O 3.07Å; Y549-P556 HydrophobicContact CD1-CB 3.96Å; Y549-P556 HydrophobicContact CE1-CB 3.73Å; Y549-P556 HydrophobicContact CE1-CG 4.1Å; Y549-P556 HydrophobicContact CG-CB 4.48Å; Y549-F736 CarbonylContact O-C 3.59Å; Y549-F736 WeakPolarHBondContact O-CA 3.47Å; Y549-L737 PolarHBondContact N-O 2.62Å; Y549-L737 PolarHBondContact O-N 2.88Å; Y549-Y739 HydrophobicContact CE2-CD1 4.47Å; Y549-Y739 HydrophobicContact CE2-CG 4.13Å; Y549-R843 HydrophobicContact CE1-CB 4.37Å; Y549-R843 HydrophobicContact CE2-CB 3.81Å; Y549-R843 WeakPolarHBondContact OH-CB 3.43Å; Y549-C844 HydrophobicContact CD1-CB 4Å; Y549-C844 HydrophobicContact CE1-CB 4.43Å |
| 550 | S | 88.8 | Confident | 86.9 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.007 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 128.8 | 170.3 | 171.2 | 0 | 0 | 0 | 0 | 109.7 | L552 T553 G554 A555 | S550-L552 PolarHBondContact OG-N 2.84Å; S550-T553 WeakPolarHBondContact CB-OG1 3.34Å; S550-T553 PolarHBondContact OG-N 3.16Å; S550-T553 VanDerWaalsContact OG-N 3.1Å; S550-T553 PolarHBondContact OG-OG1 2.94Å; S550-G554 VanDerWaalsContact O-CA 3.26Å; S550-G554 WeakPolarHBondContact O-CA 3.34Å; S550-G554 PolarHBondContact O-N 3.4Å; S550-A555 PolarHBondContact N-O 2.99Å |
| 551 | Y | 86.1 | Confident | 85.9 | Confident | 130 Ų | 130 | 41.9 Ų | 41.9 | 51% | 0.51 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -39.2 | 172.4 | 176.4 | -109.9 | 0 | 0 | 0 | 111.3 | L695 P732 L735 | Y551-L695 HydrophobicContact CD2-CD1 3.83Å; Y551-L695 HydrophobicContact CD2-CD2 3.87Å; Y551-L695 HydrophobicContact CE2-CD1 3.98Å; Y551-L695 HydrophobicContact CG-CD1 4.18Å; Y551-L695 HydrophobicContact CG-CD2 4.21Å; Y551-P732 HydrophobicContact CD1-CB 3.82Å; Y551-P732 HydrophobicContact CE1-CB 3.94Å; Y551-P732 HydrophobicContact CE1-CG 4.34Å; Y551-L735 WeakPolarHBondContact CB-O 2.98Å; Y551-L735 HydrophobicContact CD1-CB 4.16Å; Y551-L735 HydrophobicContact CD1-CD1 4.21Å; Y551-L735 HydrophobicContact CE1-CD1 4.48Å; Y551-L735 HydrophobicContact CG-CB 4.18Å; Y551-L735 PolarHBondContact N-O 3.5Å |
| 552 | L | 83.4 | Confident | 85.1 | Confident | 66 Ų | 66 | 42.8 Ų | 42.8 | 35% | 0.346 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -37.1 | -177.5 | 179.6 | 62.3 | 0 | 0 | 0 | 113.7 | S550 V715 P717 P732 | S550-L552 PolarHBondContact OG-N 2.84Å; L552-V715 WeakPolarHBondContact CD2-O 3.23Å; L552-P717 HydrophobicContact CD2-CG 4.22Å; L552-P732 HydrophobicContact CD1-CB 4.27Å |
| 553 | T | 82.6 | Confident | 84.8 | Confident | 24 Ų | 24 | 43.6 Ų | 43.6 | 15% | 0.147 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | -4.9 | -174 | 62.2 | 0 | 0 | 0 | 0 | 114 | S550 A555 C567 V715 | S550-T553 WeakPolarHBondContact CB-OG1 3.34Å; S550-T553 PolarHBondContact OG-N 3.16Å; S550-T553 VanDerWaalsContact OG-N 3.1Å; S550-T553 PolarHBondContact OG-OG1 2.94Å; T553-A555 PolarHBondContact O-N 2.98Å; T553-C567 PolarHBondContact OG1-O 2.81Å; T553-V715 HydrophobicContact CG2-CG1 4.34Å |
| 554 | G | 81.4 | Confident | 84.7 | Confident | 36 Ų | 36 | 47.4 Ų | 47.4 | 37% | 0.371 | 25% | 0.247 | S | C | . | . | trans | 64.5 | -6.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y549 S550 C844 | Y549-G554 WeakPolarHBondContact CD1-O 3.29Å; S550-G554 VanDerWaalsContact O-CA 3.26Å; S550-G554 WeakPolarHBondContact O-CA 3.34Å; S550-G554 PolarHBondContact O-N 3.4Å; G554-C844 WeakPolarHBondContact O-CB 3.3Å | ||
| 555 | A | 85.6 | Confident | 84.7 | Confident | 6 Ų | 6 | 47.6 Ų | 47.6 | 5% | 0.05 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -87.9 | 150 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y549 S550 T553 C567 Q568 | Y549-A555 WeakPolarHBondContact CA-O 3.07Å; S550-A555 PolarHBondContact N-O 2.99Å; T553-A555 PolarHBondContact O-N 2.98Å; A555-C567 WeakPolarHBondContact CB-O 3.29Å; A555-Q568 WeakPolarHBondContact CB-O 3.31Å |
| 556 | P | 89.8 | Confident | 84.5 | Confident | 10 Ų | 10 | 44.4 Ų | 44.4 | 7% | 0.065 | 23% | 0.234 | C | C | . | . | B | Isolated β-bridge | trans | -74.4 | 157.5 | 175.2 | 32.2 | -34.4 | 0 | 0 | 0 | 112 | I547 F548 Y549 R558 | I547-P556 HydrophobicContact CG2-CB 3.72Å; F548-P556 CarbonylContact O-C 3.59Å; F548-P556 VanDerWaalsContact O-CA 3.28Å; F548-P556 WeakPolarHBondContact O-CA 3.39Å; Y549-P556 HydrophobicContact CD1-CB 3.96Å; Y549-P556 HydrophobicContact CE1-CB 3.73Å; Y549-P556 HydrophobicContact CE1-CG 4.1Å; Y549-P556 HydrophobicContact CG-CB 4.48Å; P556-R558 HydrophobicContact CG-CG 4.35Å; P556-R558 PolarHBondContact O-N 3.19Å |
| 557 | M | 90.3 | Very high | 84.3 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | P | Polyproline II helix | trans | -59 | 131.6 | 161.1 | -77.1 | -173 | 178.2 | 0 | 0 | 110.6 | F548 I565 D566 C567 G582 E583 F585 M663 L671 L698 V713 F736 | F548-M557 HydrophobicContact CB-CE 4.27Å; F548-M557 HydrophobicContact CB-CG 4.05Å; F548-M557 HydrophobicContact CB-SD 3.86Å; F548-M557 HydrophobicContact CD2-SD 3.88Å; F548-M557 HydrophobicContact CG-SD 4.25Å; F548-M557 PolarHBondContact O-N 2.79Å; M557-I565 HydrophobicContact CB-CG2 3.9Å; M557-I565 HydrophobicContact CG-CG2 3.87Å; M557-I565 HydrophobicContact SD-CG2 4.15Å; M557-D566 CarbonylContact C-O 3.59Å; M557-D566 VanDerWaalsContact CA-O 3.25Å; M557-D566 WeakPolarHBondContact CA-O 3.35Å; M557-C567 VanDerWaalsContact CG-SG 3.58Å; M557-G582 CarbonylContact O-C 3.58Å; M557-G582 WeakPolarHBondContact O-CA 3.4Å; M557-E583 PolarHBondContact O-N 3.04Å; M557-F585 HydrophobicContact CB-CE2 4.07Å; M557-F585 HydrophobicContact SD-CE2 4.2Å; M557-F585 HydrophobicContact SD-CZ 4.5Å; M557-M663 HydrophobicContact SD-CE 3.77Å; M557-L671 HydrophobicContact CE-CD2 3.74Å; M557-L671 HydrophobicContact SD-CD2 4.13Å; M557-L698 HydrophobicContact CE-CD1 4.26Å; M557-V713 HydrophobicContact CE-CG1 4.25Å; M557-F736 HydrophobicContact CE-CD1 3.87Å; M557-F736 HydrophobicContact CE-CE1 3.45Å; M557-F736 VanDerWaalsContact CE-CE1 3.45Å; M557-F736 HydrophobicContact CE-CZ 3.92Å |
| 558 | R | 86.9 | Confident | 83.8 | Confident | 31 Ų | 31 | 47 Ų | 47 | 12% | 0.117 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 157.7 | 173.7 | -50.5 | 176.2 | -62.4 | -170.6 | 5.7 | 110.5 | P556 I565 D566 | P556-R558 HydrophobicContact CG-CG 4.35Å; P556-R558 PolarHBondContact O-N 3.19Å; R558-I565 VanDerWaalsContact O-CA 3.27Å; R558-I565 WeakPolarHBondContact O-CA 3.41Å; R558-D566 WeakPolarHBondContact CB-OD1 3.2Å; R558-D566 IonicContact CZ-OD1 3.5Å; R558-D566 IonicContact CZ-OD2 2.89Å; R558-D566 PolarHBondContact N-O 3.06Å; R558-D566 IonicContact NE-OD1 3.45Å; R558-D566 PolarHBondContact NE-OD1 3.04Å; R558-D566 IonicContact NE-OD2 3.56Å; R558-D566 IonicContact NH2-OD1 3.37Å; R558-D566 PolarHBondContact NH2-OD1 2.67Å; R558-D566 IonicContact NH2-OD2 2.83Å; R558-D566 PolarHBondContact NH2-OD2 3.23Å; R558-D566 PolarHBondContact O-N 2.9Å |
| 559 | I | 82.7 | Confident | 82.7 | Confident | 55 Ų | 55 | 49.6 Ų | 49.6 | 28% | 0.282 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 133.1 | 170.2 | -50 | 169.1 | 0 | 0 | 0 | 108.3 | R564 E583 L673 | I559-R564 CarbonylContact C-O 3.59Å; I559-R564 WeakPolarHBondContact CA-O 3.36Å; I559-E583 HydrophobicContact CD1-CG 3.9Å; I559-E583 HydrophobicContact CG1-CB 4.16Å; I559-E583 HydrophobicContact CG1-CG 3.85Å; I559-L673 HydrophobicContact CD1-CD1 3.42Å; I559-L673 VanDerWaalsContact CD1-CD1 3.42Å; I559-L673 HydrophobicContact CG1-CD1 3.68Å |
| 560 | V | 80.1 | Confident | 81.1 | Confident | 59 Ų | 59 | 52 Ų | 52 | 36% | 0.358 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 166.6 | 173.2 | -172.9 | 0 | 0 | 0 | 0 | 108.3 | N563 R564 D566 | V560-N563 PolarHBondContact O-N 2.91Å; V560-R564 PolarHBondContact N-O 2.86Å; V560-R564 PolarHBondContact O-N 2.73Å; V560-D566 HydrophobicContact CG2-CB 3.64Å; V560-D566 VanDerWaalsContact CG2-CG 3.44Å |
| 561 | D | 71.3 | Confident | 79.5 | Confident | 139 Ų | 139 | 59.8 Ų | 59.8 | 74% | 0.743 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -40.6 | 142.1 | -178.8 | -57.6 | -39 | 0 | 0 | 0 | 114 | N563 | D561-N563 VanDerWaalsContact C-N 3.33Š|
| 562 | S | 68.6 | Low | 77.7 | Confident | 110 Ų | 110 | 57.2 Ų | 57.2 | 77% | 0.769 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 35.1 | -172.2 | -50 | 0 | 0 | 0 | 0 | 114.7 | R564 | S562-R564 PolarHBondContact O-N 2.78Å; S562-R564 VanDerWaalsContact O-N 3.17Å |
| 563 | N | 75.8 | Confident | 75.7 | Confident | 71 Ų | 71 | 57.7 Ų | 57.7 | 38% | 0.38 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.9 | 22 | 176.1 | -69.3 | -36 | 0 | 0 | 0 | 115.1 | V560 D561 N672 L673 | V560-N563 PolarHBondContact O-N 2.91Å; D561-N563 VanDerWaalsContact C-N 3.33Å; N563-N672 CarbonylContact O-C 3.56Å; N563-N672 WeakPolarHBondContact O-CA 3.43Å; N563-L673 HydrophobicContact CB-CB 4.08Å; N563-L673 VanDerWaalsContact CB-O 3.31Å; N563-L673 WeakPolarHBondContact CB-O 3.29Å; N563-L673 PolarHBondContact O-N 3.48Å |
| 564 | R | 81.5 | Confident | 73.3 | Confident | 141 Ų | 141 | 64.7 Ų | 64.7 | 53% | 0.532 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 158.1 | 175.8 | -59.5 | -158.3 | 163.8 | -179 | -2.9 | 110.9 | I559 V560 S562 N672 | I559-R564 CarbonylContact C-O 3.59Å; I559-R564 WeakPolarHBondContact CA-O 3.36Å; V560-R564 PolarHBondContact N-O 2.86Å; V560-R564 PolarHBondContact O-N 2.73Å; S562-R564 PolarHBondContact O-N 2.78Å; S562-R564 VanDerWaalsContact O-N 3.17Å; R564-N672 WeakPolarHBondContact CG-OD1 3.28Å |
| 565 | I | 86.7 | Confident | 70.9 | Confident | 9 Ų | 9 | 66.7 Ų | 66.7 | 5% | 0.046 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 132 | 173.8 | -60.3 | -176.5 | 0 | 0 | 0 | 110.9 | M557 R558 F585 M663 L671 L673 V721 | M557-I565 HydrophobicContact CB-CG2 3.9Å; M557-I565 HydrophobicContact CG-CG2 3.87Å; M557-I565 HydrophobicContact SD-CG2 4.15Å; R558-I565 VanDerWaalsContact O-CA 3.27Å; R558-I565 WeakPolarHBondContact O-CA 3.41Å; I565-F585 HydrophobicContact CD1-CE1 4.27Å; I565-F585 HydrophobicContact CD1-CZ 3.97Å; I565-M663 HydrophobicContact CD1-CE 4.3Å; I565-M663 HydrophobicContact CD1-CG 4.38Å; I565-L671 HydrophobicContact CB-CB 4.47Å; I565-L671 HydrophobicContact CB-CD2 4.1Å; I565-L671 HydrophobicContact CB-CG 4.35Å; I565-L671 HydrophobicContact CD1-CD2 3.91Å; I565-L671 HydrophobicContact CD1-CG 4.06Å; I565-L671 HydrophobicContact CG2-CD2 4.05Å; I565-L671 PolarHBondContact N-O 3.22Å; I565-L673 HydrophobicContact CD1-CG 4.39Å; I565-V721 HydrophobicContact CG2-CG2 4.38Å; I565-V721 WeakPolarHBondContact O-CB 3.37Å; I565-V721 WeakPolarHBondContact O-CG2 3.43Å |
| 566 | D | 87.3 | Confident | 68.6 | Low | 13 Ų | 13 | 70.3 Ų | 70.3 | 7% | 0.07 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 169.7 | 172.1 | 94.2 | -12.5 | 0 | 0 | 0 | 112.7 | M557 R558 V560 Q568 | M557-D566 CarbonylContact C-O 3.59Å; M557-D566 VanDerWaalsContact CA-O 3.25Å; M557-D566 WeakPolarHBondContact CA-O 3.35Å; R558-D566 WeakPolarHBondContact CB-OD1 3.2Å; R558-D566 IonicContact CZ-OD1 3.5Å; R558-D566 IonicContact CZ-OD2 2.89Å; R558-D566 PolarHBondContact N-O 3.06Å; R558-D566 IonicContact NE-OD1 3.45Å; R558-D566 PolarHBondContact NE-OD1 3.04Å; R558-D566 IonicContact NE-OD2 3.56Å; R558-D566 IonicContact NH2-OD1 3.37Å; R558-D566 PolarHBondContact NH2-OD1 2.67Å; R558-D566 IonicContact NH2-OD2 2.83Å; R558-D566 PolarHBondContact NH2-OD2 3.23Å; R558-D566 PolarHBondContact O-N 2.9Å; V560-D566 HydrophobicContact CG2-CB 3.64Å; V560-D566 VanDerWaalsContact CG2-CG 3.44Å; D566-Q568 HydrophobicContact CB-CG 4.34Å; D566-Q568 WeakPolarHBondContact OD2-CG 3.46Å |
| 567 | C | 86.5 | Confident | 66.1 | Low | 0 Ų | 0 | 74.7 Ų | 74.7 | 0% | 0 | 43% | 0.434 | C | S | . | . | trans | -141.4 | 49.4 | 169.4 | -70.1 | 0 | 0 | 0 | 0 | 110.2 | T553 A555 M557 V715 G719 V721 | T553-C567 PolarHBondContact OG1-O 2.81Å; A555-C567 WeakPolarHBondContact CB-O 3.29Å; M557-C567 VanDerWaalsContact CG-SG 3.58Å; C567-V715 HydrophobicContact CB-CG1 3.7Å; C567-V715 HydrophobicContact CB-CG2 4.41Å; C567-G719 CarbonylContact C-O 3.6Å; C567-G719 WeakPolarHBondContact CA-O 3.46Å; C567-G719 PolarHBondContact N-O 2.94Å; C567-G719 WeakPolarHBondContact O-CA 3.49Å; C567-V721 HydrophobicContact CB-CG2 4.5Å | ||
| 568 | Q | 81.4 | Confident | 63.5 | Low | 59 Ų | 59 | 81.3 Ų | 81.3 | 28% | 0.276 | 47% | 0.47 | S | S | . | . | trans | -82.5 | 139 | -179.5 | -58.5 | -161.8 | -56.9 | 0 | 0 | 112.8 | A555 D566 D718 | A555-Q568 WeakPolarHBondContact CB-O 3.31Å; D566-Q568 HydrophobicContact CB-CG 4.34Å; D566-Q568 WeakPolarHBondContact OD2-CG 3.46Å; Q568-D718 WeakPolarHBondContact CG-O 3.26Å; Q568-D718 PolarHBondContact NE2-O 2.99Å | ||
| 569 | P | 68.6 | Low | 61.4 | Low | 55 Ų | 55 | 83.8 Ų | 83.8 | 36% | 0.357 | 48% | 0.483 | S | S | . | . | trans | -56 | 143.9 | 171.4 | -25.8 | 35.3 | 0 | 0 | 0 | 113.2 | D571 S572 | P569-D571 VanDerWaalsContact C-N 3.3Å; P569-D571 PolarHBondContact O-N 3.21Å; P569-S572 PolarHBondContact O-OG 2.91Å | ||
| 570 | I | 58.7 | Low | 59.9 | Low | 77 Ų | 77 | 88.7 Ų | 88.7 | 40% | 0.395 | 50% | 0.502 | S | S | . | . | G | 310 helix | trans | -71.6 | -25 | -168.4 | -67.7 | 175.1 | 0 | 0 | 0 | 112.4 | S572 | I570-S572 PolarHBondContact O-N 2.75Š|
| 571 | D | 54.3 | Low | 59.3 | Low | 165 Ų | 165 | 91.4 Ų | 91.4 | 88% | 0.882 | 51% | 0.513 | S | S | * | . | G | 310 helix | trans | -76.1 | 14 | -172.9 | -45.8 | -62.7 | 0 | 0 | 0 | 114 | P569 | P569-D571 VanDerWaalsContact C-N 3.3Å; P569-D571 PolarHBondContact O-N 3.21Å |
| 572 | S | 47.3 | Very low | 59.6 | Low | 75 Ų | 75 | 84.9 Ų | 84.9 | 52% | 0.524 | 48% | 0.479 | S | S | . | . | G | 310 helix | trans | -109.9 | -6 | -176.1 | 60.6 | 0 | 0 | 0 | 0 | 114.9 | P569 I570 | P569-S572 PolarHBondContact O-OG 2.91Å; I570-S572 PolarHBondContact O-N 2.75Å |
| 573 | V | 42.2 | Very low | 60.5 | Low | 77 Ų | 77 | 79.8 Ų | 79.8 | 47% | 0.467 | 44% | 0.443 | S | S | . | . | trans | -135.7 | 120.9 | -177.9 | -175.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 574 | N | 32 | Very low | 61.2 | Low | 170 Ų | 170 | 77.2 Ų | 77.2 | 91% | 0.909 | 43% | 0.43 | S | S | * | . | trans | -74.3 | 123.2 | 173.9 | -79.8 | -36.1 | 0 | 0 | 0 | 112 | ||||
| 575 | G | 31.7 | Very low | 61.6 | Low | 78 Ų | 78 | 70.5 Ų | 70.5 | 80% | 0.804 | 40% | 0.404 | S | S | * | . | S | Bend | trans | 102 | 25.1 | 140.1 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||
| 576 | V | 36 | Very low | 61.8 | Low | 83 Ų | 83 | 71.3 Ų | 71.3 | 50% | 0.503 | 41% | 0.409 | S | S | . | . | trans | -128.4 | 112.2 | 166.5 | -172.1 | 0 | 0 | 0 | 0 | 112.5 | N578 Q579 | V576-N578 VanDerWaalsContact C-N 3.27Å; V576-N578 PolarHBondContact O-N 2.76Å; V576-N578 VanDerWaalsContact O-N 3.17Å; V576-Q579 HydrophobicContact CB-CG 4.13Å; V576-Q579 HydrophobicContact CG1-CG 4.39Å; V576-Q579 PolarHBondContact O-N 2.88Å | ||
| 577 | S | 37.5 | Very low | 62 | Low | 101 Ų | 101 | 71 Ų | 71 | 71% | 0.706 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -61.1 | -27.3 | -172.4 | 53.8 | 0 | 0 | 0 | 0 | 115.3 | ||
| 578 | N | 36.8 | Very low | 61.8 | Low | 139 Ų | 139 | 72.8 Ų | 72.8 | 74% | 0.743 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -78.7 | -14.6 | -177.8 | -72.3 | -23.1 | 0 | 0 | 0 | 114.5 | V576 K580 | V576-N578 VanDerWaalsContact C-N 3.27Å; V576-N578 PolarHBondContact O-N 2.76Å; V576-N578 VanDerWaalsContact O-N 3.17Å; N578-K580 PolarHBondContact O-N 2.9Å; N578-K580 VanDerWaalsContact O-N 3.1Å |
| 579 | Q | 42.2 | Very low | 61.7 | Low | 83 Ų | 83 | 77.6 Ų | 77.6 | 39% | 0.388 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -70.1 | -5 | -177.1 | -71 | 178.8 | -17.8 | 0 | 0 | 114.6 | V576 I581 | V576-Q579 HydrophobicContact CB-CG 4.13Å; V576-Q579 HydrophobicContact CG1-CG 4.39Å; V576-Q579 PolarHBondContact O-N 2.88Å; Q579-I581 PolarHBondContact O-N 2.93Å |
| 580 | K | 52 | Low | 61.8 | Low | 159 Ų | 159 | 75.6 Ų | 75.6 | 69% | 0.691 | 43% | 0.426 | S | S | * | . | G | 310 helix | trans | -74.8 | 0.6 | -177.1 | -68.8 | -171.6 | 173.6 | -175 | 0 | 115.3 | N578 | N578-K580 PolarHBondContact O-N 2.9Å; N578-K580 VanDerWaalsContact O-N 3.1Å |
| 581 | I | 66.4 | Low | 61.8 | Low | 115 Ų | 115 | 76.2 Ų | 76.2 | 59% | 0.59 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -123 | 114.9 | -174.7 | -53.7 | -179.1 | 0 | 0 | 0 | 110 | Q579 | Q579-I581 PolarHBondContact O-N 2.93Š|
| 582 | G | 77.1 | Confident | 61.7 | Low | 2 Ų | 2 | 70 Ų | 70 | 2% | 0.021 | 40% | 0.398 | C | S | . | . | trans | -58.4 | 149 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | M557 | M557-G582 CarbonylContact O-C 3.58Å; M557-G582 WeakPolarHBondContact O-CA 3.4Å | ||
| 583 | E | 87.7 | Confident | 61.5 | Low | 3 Ų | 3 | 68.4 Ų | 68.4 | 1% | 0.014 | 39% | 0.386 | C | S | . | . | trans | -64.6 | 139.4 | -178.7 | 175.3 | 52.7 | -170.5 | 0 | 0 | 111.2 | M557 I559 F585 S655 Q657 | M557-E583 PolarHBondContact O-N 3.04Å; I559-E583 HydrophobicContact CD1-CG 3.9Å; I559-E583 HydrophobicContact CG1-CB 4.16Å; I559-E583 HydrophobicContact CG1-CG 3.85Å; E583-F585 HydrophobicContact CB-CE2 4.2Å; E583-F585 HydrophobicContact CB-CZ 4.17Å; E583-F585 HydrophobicContact CG-CE1 4.07Å; E583-F585 HydrophobicContact CG-CE2 4.07Å; E583-F585 HydrophobicContact CG-CZ 3.73Å; E583-S655 WeakPolarHBondContact OE1-CA 3.09Å; E583-S655 WeakPolarHBondContact OE1-CB 3.21Å; E583-S655 PolarHBondContact OE1-OG 3.45Å; E583-Q657 PolarHBondContact OE2-NE2 2.74Å | ||
| 584 | V | 90.4 | Very high | 61.6 | Low | 17 Ų | 17 | 69 Ų | 69 | 10% | 0.103 | 40% | 0.395 | C | S | . | . | trans | -102.7 | 112.8 | -173 | -175.4 | 0 | 0 | 0 | 0 | 109.4 | K545 I547 A656 K741 | K545-V584 HydrophobicContact CB-CG1 3.78Å; K545-V584 HydrophobicContact CD-CG1 4.16Å; K545-V584 HydrophobicContact CG-CG1 4.46Å; I547-V584 HydrophobicContact CD1-CG2 4.3Å; I547-V584 HydrophobicContact CG1-CG2 4.15Å; V584-A656 HydrophobicContact CB-CB 3.94Å; V584-A656 HydrophobicContact CG1-CB 3.86Å; V584-A656 WeakPolarHBondContact O-CB 3.48Å; V584-A656 PolarHBondContact O-N 3.12Å; V584-K741 HydrophobicContact CG1-CD 4.06Å; V584-K741 HydrophobicContact CG2-CD 3.66Å | ||
| 585 | F | 91.7 | Very high | 61.8 | Low | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 128.9 | 177.1 | -59.9 | -80.5 | 0 | 0 | 0 | 110.9 | K545 I546 F548 M557 I565 E583 F653 S654 M663 L673 | K545-F585 CarbonylContact C-O 3.56Å; K545-F585 WeakPolarHBondContact CA-O 3.36Å; I546-F585 PolarHBondContact N-O 2.94Å; I546-F585 PolarHBondContact O-N 2.87Å; F548-F585 AromaticContact CD2-CD2 3.99Å; F548-F585 HydrophobicContact CD2-CD2 3.99Å; F548-F585 HydrophobicContact CD2-CE2 4.33Å; F548-F585 HydrophobicContact CE2-CD2 4.25Å; M557-F585 HydrophobicContact CB-CE2 4.07Å; M557-F585 HydrophobicContact SD-CE2 4.2Å; M557-F585 HydrophobicContact SD-CZ 4.5Å; I565-F585 HydrophobicContact CD1-CE1 4.27Å; I565-F585 HydrophobicContact CD1-CZ 3.97Å; E583-F585 HydrophobicContact CB-CE2 4.2Å; E583-F585 HydrophobicContact CB-CZ 4.17Å; E583-F585 HydrophobicContact CG-CE1 4.07Å; E583-F585 HydrophobicContact CG-CE2 4.07Å; E583-F585 HydrophobicContact CG-CZ 3.73Å; F585-F653 HydrophobicContact CB-CB 4.01Å; F585-F653 HydrophobicContact CB-CD1 4.22Å; F585-F653 HydrophobicContact CD1-CB 4.02Å; F585-F653 HydrophobicContact CG-CB 4.22Å; F585-S654 CarbonylContact C-O 3.37Å; F585-S654 VanDerWaalsContact CA-O 3.3Å; F585-S654 WeakPolarHBondContact CA-O 3.16Å; F585-M663 HydrophobicContact CD1-CE 3.84Å; F585-M663 HydrophobicContact CD2-CE 4.15Å; F585-M663 HydrophobicContact CE1-CE 3.52Å; F585-M663 HydrophobicContact CE2-CE 3.86Å; F585-M663 HydrophobicContact CG-CE 4.15Å; F585-M663 HydrophobicContact CZ-CE 3.53Å; F585-L673 HydrophobicContact CE1-CD2 4.23Å |
| 586 | N | 90.7 | Very high | 62 | Low | 27 Ų | 27 | 69.4 Ų | 69.4 | 14% | 0.144 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 132.2 | 164.1 | -47.5 | -66.6 | 0 | 0 | 0 | 108.8 | K545 F653 S654 S655 A656 | K545-N586 WeakPolarHBondContact CD-OD1 3.23Å; K545-N586 WeakPolarHBondContact CE-OD1 3.45Å; K545-N586 PolarHBondContact NZ-OD1 2.84Å; N586-F653 WeakPolarHBondContact O-CA 3.29Å; N586-S654 PolarHBondContact N-O 2.86Å; N586-S654 PolarHBondContact O-N 3.24Å; N586-S654 VanDerWaalsContact O-N 3.14Å; N586-S655 PolarHBondContact ND2-O 3.31Å; N586-A656 WeakPolarHBondContact ND2-CA 3.44Å; N586-A656 WeakPolarHBondContact OD1-CB 3.22Å |
| 587 | V | 90.1 | Very high | 62.2 | Low | 5 Ų | 5 | 66.7 Ų | 66.7 | 3% | 0.03 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 134.3 | 175.9 | -176.2 | 0 | 0 | 0 | 0 | 110.4 | P542 G543 T544 I546 R651 F653 | P542-V587 CarbonylContact C-O 3.48Å; P542-V587 WeakPolarHBondContact CA-O 3.38Å; G543-V587 PolarHBondContact N-O 2.79Å; T544-V587 WeakPolarHBondContact O-CG2 3.46Å; T544-V587 PolarHBondContact O-N 2.88Å; I546-V587 HydrophobicContact CD1-CG2 3.5Å; I546-V587 VanDerWaalsContact CD1-CG2 3.5Å; I546-V587 HydrophobicContact CG1-CG2 3.79Å; V587-R651 HydrophobicContact CG1-CB 4.45Å; V587-R651 HydrophobicContact CG1-CG 4.1Å; V587-F653 HydrophobicContact CG2-CD1 4.38Å; V587-F653 HydrophobicContact CG2-CE1 4.08Å |
| 588 | S | 83.8 | Confident | 62.1 | Low | 39 Ų | 39 | 69.4 Ų | 69.4 | 27% | 0.273 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 158.1 | 173.3 | 49 | 0 | 0 | 0 | 0 | 111.1 | R651 S652 | S588-R651 WeakPolarHBondContact O-CA 3.33Å; S588-R651 WeakPolarHBondContact O-CD 3.33Å; S588-S652 PolarHBondContact N-O 3.08Å; S588-S652 PolarHBondContact O-N 3.03Å; S588-S652 PolarHBondContact OG-O 2.89Å; S588-S652 PolarHBondContact OG-OG 3.24Å |
| 589 | Y | 78.5 | Confident | 62.1 | Low | 160 Ų | 160 | 70.2 Ų | 70.2 | 63% | 0.627 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 135.8 | 175.1 | -73.2 | -56.6 | 0 | 0 | 0 | 110.6 | P542 S652 | P542-Y589 HydrophobicContact CG-CD1 3.73Å; P542-Y589 HydrophobicContact CG-CD2 3.88Å; P542-Y589 HydrophobicContact CG-CE1 3.53Å; P542-Y589 HydrophobicContact CG-CE2 3.71Å; P542-Y589 HydrophobicContact CG-CG 3.89Å; Y589-S652 PolarHBondContact O-OG 3.27Å |
| 590 | G | 69.8 | Low | 62.3 | Low | 13 Ų | 13 | 67.4 Ų | 67.4 | 13% | 0.134 | 34% | 0.341 | C | S | . | . | trans | -68.6 | 133.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | T592 I650 N685 | G590-T592 PolarHBondContact O-N 3.46Å; G590-I650 PolarHBondContact N-O 2.9Å; G590-N685 VanDerWaalsContact C-OD1 3.29Å; G590-N685 WeakPolarHBondContact CA-OD1 3.26Å | ||
| 591 | L | 60.3 | Low | 62 | Low | 89 Ų | 89 | 62.1 Ų | 62.1 | 47% | 0.466 | 32% | 0.317 | S | S | . | . | trans | -81.3 | 108.5 | -179.5 | -73.9 | 175.9 | 0 | 0 | 0 | 111.1 | N685 | L591-N685 PolarHBondContact N-OD1 3.34Å; L591-N685 PolarHBondContact O-ND2 2.79Å | ||
| 592 | T | 51 | Low | 60.9 | Low | 35 Ų | 35 | 62.3 Ų | 62.3 | 22% | 0.215 | 32% | 0.319 | C | S | . | . | trans | -109.3 | 12.3 | -174 | 60 | 0 | 0 | 0 | 0 | 114.4 | G590 T647 I650 R703 | G590-T592 PolarHBondContact O-N 3.46Å; T592-T647 HydrophobicContact CG2-CG2 3.78Å; T592-I650 HydrophobicContact CG2-CD1 3.93Å; T592-R703 PolarHBondContact O-NH1 3.25Å; T592-R703 PolarHBondContact O-NH2 2.91Å | ||
| 593 | S | 44.1 | Very low | 59.4 | Low | 41 Ų | 41 | 64 Ų | 64 | 29% | 0.287 | 33% | 0.33 | S | S | . | . | trans | -131.4 | 127.9 | -177.4 | 174.1 | 0 | 0 | 0 | 0 | 112 | R595 | S593-R595 VanDerWaalsContact C-N 3.31Å; S593-R595 PolarHBondContact OG-N 3.1Å | ||
| 594 | S | 43.2 | Very low | 57.4 | Low | 91 Ų | 91 | 65.7 Ų | 65.7 | 64% | 0.636 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -10 | 175.2 | 54.3 | 0 | 0 | 0 | 0 | 114.1 | S597 | S594-S597 VanDerWaalsContact C-OG 3.26Å; S594-S597 WeakPolarHBondContact CA-OG 3.24Å; S594-S597 PolarHBondContact O-OG 3.45Å |
| 595 | R | 36.4 | Very low | 55.1 | Low | 212 Ų | 212 | 72.8 Ų | 72.8 | 80% | 0.8 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -44.5 | 177 | -70.2 | -172.5 | 175.7 | -171.2 | -1.6 | 111.6 | S593 S597 K598 | S593-R595 VanDerWaalsContact C-N 3.31Å; S593-R595 PolarHBondContact OG-N 3.1Å; R595-S597 PolarHBondContact O-N 3.44Å; R595-K598 PolarHBondContact O-N 3.11Å; R595-K598 VanDerWaalsContact O-N 3.12Å |
| 596 | C | 35.4 | Very low | 53.2 | Low | 44 Ų | 44 | 80.7 Ų | 80.7 | 30% | 0.297 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63 | -25.5 | 178.1 | -59.7 | 0 | 0 | 0 | 0 | 113.4 | S600 | C596-S600 PolarHBondContact O-OG 3.19Å |
| 597 | S | 41.2 | Very low | 51 | Low | 26 Ų | 26 | 86.4 Ų | 86.4 | 18% | 0.182 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -76.7 | -13.7 | 176.4 | 47 | 0 | 0 | 0 | 0 | 115.1 | S594 R595 R601 | S594-S597 VanDerWaalsContact C-OG 3.26Å; S594-S597 WeakPolarHBondContact CA-OG 3.24Å; S594-S597 PolarHBondContact O-OG 3.45Å; R595-S597 PolarHBondContact O-N 3.44Å; S597-R601 WeakPolarHBondContact O-CB 3.28Å; S597-R601 WeakPolarHBondContact O-CD 3.34Å; S597-R601 WeakPolarHBondContact O-CG 3.32Å |
| 598 | K | 35 | Very low | 49.1 | Very low | 157 Ų | 157 | 88.9 Ų | 88.9 | 68% | 0.683 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -82.1 | -55 | 179.7 | -73.2 | -166 | 175.9 | -171.8 | 0 | 112.2 | R595 S600 R601 L602 | R595-K598 PolarHBondContact O-N 3.11Å; R595-K598 VanDerWaalsContact O-N 3.12Å; K598-S600 PolarHBondContact O-N 2.89Å; K598-R601 PolarHBondContact O-N 3.08Å; K598-L602 WeakPolarHBondContact O-CD1 3.23Å |
| 599 | I | 37.8 | Very low | 47.2 | Very low | 157 Ų | 157 | 89.3 Ų | 89.3 | 81% | 0.805 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -66.6 | -38.8 | -173.3 | -58.6 | 175.3 | 0 | 0 | 0 | 111.5 | R601 | I599-R601 PolarHBondContact O-N 3.33Å |
| 600 | S | 46.3 | Very low | 45.5 | Very low | 24 Ų | 24 | 85.8 Ų | 85.8 | 17% | 0.168 | 44% | 0.44 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -22.9 | -176.7 | 56.9 | 0 | 0 | 0 | 0 | 114.5 | C596 K598 S603 F630 | C596-S600 PolarHBondContact O-OG 3.19Å; K598-S600 PolarHBondContact O-N 2.89Å; S600-S603 PolarHBondContact O-OG 3.18Å; S600-F630 WeakPolarHBondContact O-CE2 2.93Å; S600-F630 WeakPolarHBondContact O-CZ 3.16Å |
| 601 | R | 45.6 | Very low | 44.1 | Very low | 48 Ų | 48 | 88.1 Ų | 88.1 | 18% | 0.181 | 46% | 0.464 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | -10 | -165.2 | -64.8 | -175.4 | -177.5 | 174 | -5.7 | 116.1 | S597 K598 I599 R605 N678 | S597-R601 WeakPolarHBondContact O-CB 3.28Å; S597-R601 WeakPolarHBondContact O-CD 3.34Å; S597-R601 WeakPolarHBondContact O-CG 3.32Å; K598-R601 PolarHBondContact O-N 3.08Å; I599-R601 PolarHBondContact O-N 3.33Å; R601-R605 PolarHBondContact O-N 2.89Å; R601-N678 WeakPolarHBondContact CD-OD1 3.37Å; R601-N678 PolarHBondContact NH1-OD1 2.85Å |
| 602 | L | 42.5 | Very low | 43.1 | Very low | 119 Ų | 119 | 91.5 Ų | 91.5 | 62% | 0.623 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -66 | -43.6 | 175.3 | -91.5 | 82 | 0 | 0 | 0 | 112.1 | K598 L604 R605 Q606 | K598-L602 WeakPolarHBondContact O-CD1 3.23Å; L602-L604 VanDerWaalsContact C-N 3.33Å; L602-L604 PolarHBondContact O-N 3.47Å; L602-R605 PolarHBondContact O-N 2.88Å; L602-R605 VanDerWaalsContact O-N 3.17Å; L602-Q606 PolarHBondContact O-N 3.09Å |
| 603 | S | 46.4 | Very low | 42.5 | Very low | 36 Ų | 36 | 96.4 Ų | 96.4 | 25% | 0.252 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.2 | -32 | -176.8 | 57.6 | 0 | 0 | 0 | 0 | 113.5 | S600 R607 | S600-S603 PolarHBondContact O-OG 3.18Å; S603-R607 PolarHBondContact O-N 3.34Å |
| 604 | L | 46.3 | Very low | 42.3 | Very low | 40 Ų | 40 | 97.2 Ų | 97.2 | 21% | 0.209 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -68.3 | -45.8 | 170.5 | -79.1 | 169.7 | 0 | 0 | 0 | 111.7 | L602 Q606 R607 F608 Y626 F630 | L602-L604 VanDerWaalsContact C-N 3.33Å; L602-L604 PolarHBondContact O-N 3.47Å; L604-Q606 VanDerWaalsContact C-N 3.3Å; L604-Q606 PolarHBondContact O-N 3.09Å; L604-R607 PolarHBondContact O-N 3Å; L604-R607 VanDerWaalsContact O-N 3.17Å; L604-F608 HydrophobicContact CD2-CD2 3.85Å; L604-F608 HydrophobicContact CD2-CE2 3.77Å; L604-F608 WeakPolarHBondContact O-CD2 3.41Å; L604-F608 PolarHBondContact O-N 3.43Å; L604-Y626 HydrophobicContact CD2-CE1 4.31Å; L604-F630 HydrophobicContact CD1-CD1 4.12Å; L604-F630 HydrophobicContact CD1-CE1 3.51Å; L604-F630 HydrophobicContact CD1-CE2 4.31Å; L604-F630 HydrophobicContact CD1-CZ 3.61Å; L604-F630 HydrophobicContact CG-CE1 4.33Å; L604-F630 HydrophobicContact CG-CE2 4.42Å; L604-F630 HydrophobicContact CG-CZ 4.19Å |
| 605 | R | 41.8 | Very low | 42.2 | Very low | 166 Ų | 166 | 100.5 Ų | 100.5 | 63% | 0.626 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.2 | -37 | 176.7 | -95.2 | -171.9 | 166.7 | -165 | -5.1 | 112.9 | R601 L602 R607 G609 | R601-R605 PolarHBondContact O-N 2.89Å; L602-R605 PolarHBondContact O-N 2.88Å; L602-R605 VanDerWaalsContact O-N 3.17Å; R605-R607 VanDerWaalsContact C-N 3.27Å; R605-R607 PolarHBondContact O-N 3.38Å; R605-G609 PolarHBondContact O-N 2.83Å; R605-G609 VanDerWaalsContact O-N 3.14Å |
| 606 | Q | 50.8 | Low | 42.5 | Very low | 165 Ų | 165 | 100.1 Ų | 100.1 | 77% | 0.771 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.8 | -22.5 | 177.1 | -77.2 | 177.9 | -31.4 | 0 | 0 | 114.1 | L602 L604 | L602-Q606 PolarHBondContact O-N 3.09Å; L604-Q606 VanDerWaalsContact C-N 3.3Å; L604-Q606 PolarHBondContact O-N 3.09Å |
| 607 | R | 45.4 | Very low | 42.8 | Very low | 148 Ų | 148 | 107.8 Ų | 107.8 | 56% | 0.558 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -99.8 | -36.7 | 176.7 | -80.1 | -171.4 | 168.6 | -156.1 | -5.9 | 114.5 | S603 L604 R605 | S603-R607 PolarHBondContact O-N 3.34Å; L604-R607 PolarHBondContact O-N 3Å; L604-R607 VanDerWaalsContact O-N 3.17Å; R605-R607 VanDerWaalsContact C-N 3.27Å; R605-R607 PolarHBondContact O-N 3.38Å |
| 608 | F | 49.4 | Very low | 42.7 | Very low | 57 Ų | 57 | 112.5 Ų | 112.5 | 25% | 0.25 | 57% | 0.574 | C | S | . | * | H | α-helix | trans | -106.5 | -5.4 | -170 | -63 | -73.3 | 0 | 0 | 0 | 115 | L604 L614 D623 Y626 | L604-F608 HydrophobicContact CD2-CD2 3.85Å; L604-F608 HydrophobicContact CD2-CE2 3.77Å; L604-F608 WeakPolarHBondContact O-CD2 3.41Å; L604-F608 PolarHBondContact O-N 3.43Å; F608-L614 HydrophobicContact CB-CD1 4.5Å; F608-D623 HydrophobicContact CE1-CB 3.95Å; F608-D623 HydrophobicContact CZ-CB 3.91Å; F608-Y626 HydrophobicContact CE2-CD1 4.29Å |
| 609 | G | 43.3 | Very low | 43.3 | Very low | 47 Ų | 47 | 108.6 Ų | 108.6 | 49% | 0.485 | 56% | 0.559 | S | S | . | * | trans | 74.9 | -162.6 | 171 | 0 | 0 | 0 | 0 | 0 | 115.6 | R605 | R605-G609 PolarHBondContact O-N 2.83Å; R605-G609 VanDerWaalsContact O-N 3.14Å | ||
| 610 | S | 42.8 | Very low | 43.9 | Very low | 86 Ų | 86 | 103.3 Ų | 103.3 | 60% | 0.601 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -79.5 | 148 | 174.8 | -64.1 | 0 | 0 | 0 | 0 | 111 | D612 | S610-D612 VanDerWaalsContact C-N 3.26Å; S610-D612 PolarHBondContact O-N 3.44Å; S610-D612 VanDerWaalsContact O-N 3.08Å |
| 611 | G | 40.6 | Very low | 43.9 | Very low | 62 Ų | 62 | 108.4 Ų | 108.4 | 64% | 0.639 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -63.1 | -22 | -161.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | I613 | G611-I613 VanDerWaalsContact C-N 3.29Å; G611-I613 PolarHBondContact O-N 3Å |
| 612 | D | 40 | Very low | 44.5 | Very low | 161 Ų | 161 | 113.2 Ų | 113.2 | 86% | 0.861 | 59% | 0.586 | S | S | * | * | G | 310 helix | trans | -84.5 | 3.4 | -166.8 | -43.9 | -69.1 | 0 | 0 | 0 | 114.4 | S610 | S610-D612 VanDerWaalsContact C-N 3.26Å; S610-D612 PolarHBondContact O-N 3.44Å; S610-D612 VanDerWaalsContact O-N 3.08Å |
| 613 | I | 39.2 | Very low | 44.9 | Very low | 138 Ų | 138 | 109.4 Ų | 109.4 | 71% | 0.708 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -111.2 | -14 | -172.7 | -63.8 | 176.6 | 0 | 0 | 0 | 112.9 | G611 | G611-I613 VanDerWaalsContact C-N 3.29Å; G611-I613 PolarHBondContact O-N 3Å |
| 614 | L | 39.6 | Very low | 44.9 | Very low | 57 Ų | 57 | 110.5 Ų | 110.5 | 30% | 0.298 | 57% | 0.569 | S | S | . | * | G | 310 helix | trans | -76.7 | -23.3 | -169.7 | -80.2 | 162.8 | 0 | 0 | 0 | 115.4 | F608 K616 | F608-L614 HydrophobicContact CB-CD1 4.5Å; L614-K616 PolarHBondContact O-N 3.44Å |
| 615 | D | 41.7 | Very low | 45.1 | Very low | 161 Ų | 161 | 115 Ų | 115 | 86% | 0.861 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -67 | 2.9 | -174.9 | -82.9 | -9.7 | 0 | 0 | 0 | 115.4 | ||
| 616 | K | 41.6 | Very low | 45.5 | Very low | 203 Ų | 203 | 110 Ų | 110 | 88% | 0.883 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -133 | 10 | -175.7 | -66.3 | -170.7 | 178.6 | 179.6 | 0 | 116.1 | L614 | L614-K616 PolarHBondContact O-N 3.44Š|
| 617 | R | 40.7 | Very low | 45.4 | Very low | 206 Ų | 206 | 105 Ų | 105 | 78% | 0.777 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -126.4 | 126 | 179.9 | -155.2 | 177.6 | -165.4 | -168.5 | 3.7 | 112.4 | I619 | R617-I619 PolarHBondContact O-N 3.4Š|
| 618 | P | 40.3 | Very low | 45.4 | Very low | 124 Ų | 124 | 101.4 Ų | 101.4 | 81% | 0.805 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 131.4 | 172 | 27.1 | -33.1 | 0 | 0 | 0 | 110.2 | ||
| 619 | I | 47.6 | Very low | 45.6 | Very low | 75 Ų | 75 | 105.7 Ų | 105.7 | 39% | 0.385 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -80.5 | 139.2 | -178.6 | -62.7 | 176 | 0 | 0 | 0 | 109.2 | R617 D623 I624 | R617-I619 PolarHBondContact O-N 3.4Å; I619-D623 HydrophobicContact CG2-CB 3.46Å; I619-D623 VanDerWaalsContact CG2-CB 3.46Å; I619-I624 HydrophobicContact CG2-CG1 4.25Å |
| 620 | S | 50.7 | Low | 45.8 | Very low | 47 Ų | 47 | 104.9 Ų | 104.9 | 33% | 0.329 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -84.1 | 162 | -176.9 | 78.8 | 0 | 0 | 0 | 0 | 112.9 | Q622 D623 I624 | S620-Q622 PolarHBondContact O-N 2.87Å; S620-Q622 PolarHBondContact OG-N 3.15Å; S620-D623 VanDerWaalsContact CB-OD2 3.28Å; S620-D623 WeakPolarHBondContact CB-OD2 3.49Å; S620-D623 PolarHBondContact N-OD2 2.98Å; S620-D623 WeakPolarHBondContact O-CB 3.24Å; S620-D623 PolarHBondContact O-N 3.23Å; S620-D623 VanDerWaalsContact O-N 3.12Å; S620-D623 VanDerWaalsContact OG-CG 3.27Å; S620-D623 PolarHBondContact OG-N 3.06Å; S620-D623 PolarHBondContact OG-OD2 3.4Å; S620-I624 PolarHBondContact O-N 2.88Å; S620-I624 VanDerWaalsContact O-N 3.16Å |
| 621 | N | 46.9 | Very low | 45.8 | Very low | 131 Ų | 131 | 103.6 Ų | 103.6 | 70% | 0.701 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -58.4 | -32.7 | 172 | -75.9 | -9.2 | 0 | 0 | 0 | 112.3 | D623 I624 E625 | N621-D623 VanDerWaalsContact C-N 3.33Å; N621-D623 PolarHBondContact O-N 2.99Å; N621-I624 PolarHBondContact O-N 2.82Å; N621-E625 WeakPolarHBondContact O-CG 3.48Å; N621-E625 PolarHBondContact O-N 3.36Å |
| 622 | Q | 56.5 | Low | 46 | Very low | 148 Ų | 148 | 104.4 Ų | 104.4 | 69% | 0.692 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.6 | -33.6 | 177.8 | -65.5 | -179.1 | -11.3 | 0 | 0 | 112.1 | S620 Y626 | S620-Q622 PolarHBondContact O-N 2.87Å; S620-Q622 PolarHBondContact OG-N 3.15Å; Q622-Y626 VanDerWaalsContact O-CB 3.29Å; Q622-Y626 WeakPolarHBondContact O-CB 3.46Å; Q622-Y626 PolarHBondContact O-N 2.79Å |
| 623 | D | 51.7 | Low | 46.1 | Very low | 40 Ų | 40 | 101.2 Ų | 101.2 | 21% | 0.214 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -69.6 | -38.8 | 174 | -60.1 | -57.6 | 0 | 0 | 0 | 111.3 | F608 I619 S620 N621 Y626 Y627 | F608-D623 HydrophobicContact CE1-CB 3.95Å; F608-D623 HydrophobicContact CZ-CB 3.91Å; I619-D623 HydrophobicContact CG2-CB 3.46Å; I619-D623 VanDerWaalsContact CG2-CB 3.46Å; S620-D623 VanDerWaalsContact CB-OD2 3.28Å; S620-D623 WeakPolarHBondContact CB-OD2 3.49Å; S620-D623 PolarHBondContact N-OD2 2.98Å; S620-D623 WeakPolarHBondContact O-CB 3.24Å; S620-D623 PolarHBondContact O-N 3.23Å; S620-D623 VanDerWaalsContact O-N 3.12Å; S620-D623 VanDerWaalsContact OG-CG 3.27Å; S620-D623 PolarHBondContact OG-N 3.06Å; S620-D623 PolarHBondContact OG-OD2 3.4Å; N621-D623 VanDerWaalsContact C-N 3.33Å; N621-D623 PolarHBondContact O-N 2.99Å; D623-Y626 PolarHBondContact O-N 3.13Å; D623-Y627 WeakPolarHBondContact O-CB 3.46Å; D623-Y627 PolarHBondContact O-N 2.89Å |
| 624 | I | 45.9 | Very low | 46.2 | Very low | 59 Ų | 59 | 96.9 Ų | 96.9 | 30% | 0.303 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.7 | -45.8 | 175.8 | -64.4 | 169.4 | 0 | 0 | 0 | 110.6 | I619 S620 N621 Y627 N628 | I619-I624 HydrophobicContact CG2-CG1 4.25Å; S620-I624 PolarHBondContact O-N 2.88Å; S620-I624 VanDerWaalsContact O-N 3.16Å; N621-I624 PolarHBondContact O-N 2.82Å; I624-Y627 PolarHBondContact O-N 2.89Å; I624-N628 WeakPolarHBondContact O-CB 3.27Å; I624-N628 VanDerWaalsContact O-CG 3.27Å; I624-N628 PolarHBondContact O-N 2.98Å; I624-N628 PolarHBondContact O-ND2 2.9Å |
| 625 | E | 50.1 | Low | 46.2 | Very low | 133 Ų | 133 | 101.2 Ų | 101.2 | 62% | 0.621 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.8 | -43.3 | 173.7 | -75.3 | -177 | 163 | 0 | 0 | 111.9 | N621 N628 K629 | N621-E625 WeakPolarHBondContact O-CG 3.48Å; N621-E625 PolarHBondContact O-N 3.36Å; E625-N628 PolarHBondContact O-N 3.03Å; E625-K629 VanDerWaalsContact O-CB 3.28Å; E625-K629 WeakPolarHBondContact O-CB 3.48Å; E625-K629 PolarHBondContact O-N 3.46Å |
| 626 | Y | 51.9 | Low | 46.1 | Very low | 62 Ų | 62 | 98 Ų | 98 | 24% | 0.243 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 176 | -176.2 | -102.1 | 0 | 0 | 0 | 112 | L604 F608 Q622 D623 K629 F630 | L604-Y626 HydrophobicContact CD2-CE1 4.31Å; F608-Y626 HydrophobicContact CE2-CD1 4.29Å; Q622-Y626 VanDerWaalsContact O-CB 3.29Å; Q622-Y626 WeakPolarHBondContact O-CB 3.46Å; Q622-Y626 PolarHBondContact O-N 2.79Å; D623-Y626 PolarHBondContact O-N 3.13Å; Y626-K629 PolarHBondContact O-N 2.78Å; Y626-F630 WeakPolarHBondContact O-CB 3.19Å; Y626-F630 PolarHBondContact O-N 2.89Å |
| 627 | Y | 48.1 | Very low | 45.9 | Very low | 60 Ų | 60 | 93 Ų | 93 | 24% | 0.235 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -64.6 | -39.1 | 176.9 | -177.9 | -100.4 | 0 | 0 | 0 | 112.4 | D623 I624 N631 P659 | D623-Y627 WeakPolarHBondContact O-CB 3.46Å; D623-Y627 PolarHBondContact O-N 2.89Å; I624-Y627 PolarHBondContact O-N 2.89Å; Y627-N631 WeakPolarHBondContact CE1-ND2 3.43Å; Y627-N631 PolarHBondContact O-N 3.46Å; Y627-N631 PolarHBondContact O-ND2 2.87Å; Y627-P659 WeakPolarHBondContact CE1-O 3.01Å; Y627-P659 PolarHBondContact OH-O 3.35Å |
| 628 | N | 45.9 | Very low | 45.6 | Very low | 73 Ų | 73 | 86.6 Ų | 86.6 | 39% | 0.39 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.5 | -51.9 | 174.7 | -71.4 | -30.6 | 0 | 0 | 0 | 111.2 | I624 E625 F630 N631 D632 | I624-N628 WeakPolarHBondContact O-CB 3.27Å; I624-N628 VanDerWaalsContact O-CG 3.27Å; I624-N628 PolarHBondContact O-N 2.98Å; I624-N628 PolarHBondContact O-ND2 2.9Å; E625-N628 PolarHBondContact O-N 3.03Å; N628-F630 VanDerWaalsContact C-N 3.26Å; N628-F630 PolarHBondContact O-N 2.83Å; N628-N631 CarbonylContact O-C 3.38Å; N628-N631 WeakPolarHBondContact O-CA 3.29Å; N628-N631 WeakPolarHBondContact O-CB 3.2Å; N628-N631 PolarHBondContact O-N 2.85Å; N628-D632 PolarHBondContact O-N 2.82Å |
| 629 | K | 52.5 | Low | 45.2 | Very low | 146 Ų | 146 | 88.5 Ų | 88.5 | 64% | 0.635 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -60.8 | -34.2 | 179 | -166.2 | 170.1 | -172.7 | 172 | 0 | 112.5 | E625 Y626 D632 N633 | E625-K629 VanDerWaalsContact O-CB 3.28Å; E625-K629 WeakPolarHBondContact O-CB 3.48Å; E625-K629 PolarHBondContact O-N 3.46Å; Y626-K629 PolarHBondContact O-N 2.78Å; K629-D632 PolarHBondContact O-N 2.63Å; K629-N633 VanDerWaalsContact O-CG 3.24Å; K629-N633 PolarHBondContact O-N 3.4Å; K629-N633 PolarHBondContact O-ND2 3.38Å |
| 630 | F | 46.9 | Very low | 44.8 | Very low | 30 Ų | 30 | 88.3 Ų | 88.3 | 13% | 0.132 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -65.5 | -43.4 | 171.8 | 175.8 | -95.4 | 0 | 0 | 0 | 112.6 | S600 L604 Y626 N628 D632 N633 L634 | S600-F630 WeakPolarHBondContact O-CE2 2.93Å; S600-F630 WeakPolarHBondContact O-CZ 3.16Å; L604-F630 HydrophobicContact CD1-CD1 4.12Å; L604-F630 HydrophobicContact CD1-CE1 3.51Å; L604-F630 HydrophobicContact CD1-CE2 4.31Å; L604-F630 HydrophobicContact CD1-CZ 3.61Å; L604-F630 HydrophobicContact CG-CE1 4.33Å; L604-F630 HydrophobicContact CG-CE2 4.42Å; L604-F630 HydrophobicContact CG-CZ 4.19Å; Y626-F630 WeakPolarHBondContact O-CB 3.19Å; Y626-F630 PolarHBondContact O-N 2.89Å; N628-F630 VanDerWaalsContact C-N 3.26Å; N628-F630 PolarHBondContact O-N 2.83Å; F630-D632 VanDerWaalsContact C-N 3.32Å; F630-D632 PolarHBondContact O-N 2.85Å; F630-N633 PolarHBondContact O-N 2.94Å; F630-L634 HydrophobicContact CD1-CD1 3.97Å; F630-L634 HydrophobicContact CE1-CD1 3.43Å; F630-L634 VanDerWaalsContact CE1-CD1 3.43Å; F630-L634 HydrophobicContact CZ-CD1 3.88Å; F630-L634 PolarHBondContact O-N 2.92Å |
| 631 | N | 44.2 | Very low | 43.8 | Very low | 60 Ų | 60 | 92.3 Ų | 92.3 | 32% | 0.321 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.1 | -31.7 | 174.4 | -81.7 | -71.4 | 0 | 0 | 0 | 112.5 | Y627 N628 L634 K635 | Y627-N631 WeakPolarHBondContact CE1-ND2 3.43Å; Y627-N631 PolarHBondContact O-N 3.46Å; Y627-N631 PolarHBondContact O-ND2 2.87Å; N628-N631 CarbonylContact O-C 3.38Å; N628-N631 WeakPolarHBondContact O-CA 3.29Å; N628-N631 WeakPolarHBondContact O-CB 3.2Å; N628-N631 PolarHBondContact O-N 2.85Å; N631-L634 WeakPolarHBondContact O-CB 3.48Å; N631-L634 PolarHBondContact O-N 3.07Å; N631-K635 PolarHBondContact O-N 2.97Å |
| 632 | D | 43.2 | Very low | 43.2 | Very low | 79 Ų | 79 | 90.9 Ų | 90.9 | 42% | 0.422 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -69.6 | -41.9 | 172.9 | -71.4 | -40.7 | 0 | 0 | 0 | 112 | N628 K629 F630 L634 K635 S636 | N628-D632 PolarHBondContact O-N 2.82Å; K629-D632 PolarHBondContact O-N 2.63Å; F630-D632 VanDerWaalsContact C-N 3.32Å; F630-D632 PolarHBondContact O-N 2.85Å; D632-L634 PolarHBondContact O-N 2.91Å; D632-K635 WeakPolarHBondContact O-CB 3.36Å; D632-K635 PolarHBondContact O-N 2.88Å; D632-K635 WeakPolarHBondContact OD1-CE 3.4Å; D632-K635 IonicContact OD1-NZ 2.71Å; D632-K635 PolarHBondContact OD1-NZ 2.88Å; D632-S636 PolarHBondContact O-N 3.03Å |
| 633 | N | 41.9 | Very low | 42.1 | Very low | 93 Ų | 93 | 94.7 Ų | 94.7 | 50% | 0.497 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.9 | -22.8 | 172.2 | -69.8 | -14.6 | 0 | 0 | 0 | 113.3 | K629 F630 S636 T637 | K629-N633 VanDerWaalsContact O-CG 3.24Å; K629-N633 PolarHBondContact O-N 3.4Å; K629-N633 PolarHBondContact O-ND2 3.38Å; F630-N633 PolarHBondContact O-N 2.94Å; N633-S636 PolarHBondContact O-OG 2.85Å; N633-S636 VanDerWaalsContact O-OG 3.11Å; N633-T637 WeakPolarHBondContact O-CG2 3.33Å; N633-T637 PolarHBondContact O-N 3.36Å; N633-T637 PolarHBondContact O-OG1 3.23Å |
| 634 | L | 42.1 | Very low | 41.5 | Very low | 47 Ų | 47 | 97.6 Ų | 97.6 | 25% | 0.246 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -76.2 | -19.9 | 170.5 | -91.8 | 161.7 | 0 | 0 | 0 | 113.4 | F630 N631 D632 T638 | F630-L634 HydrophobicContact CD1-CD1 3.97Å; F630-L634 HydrophobicContact CE1-CD1 3.43Å; F630-L634 VanDerWaalsContact CE1-CD1 3.43Å; F630-L634 HydrophobicContact CZ-CD1 3.88Å; F630-L634 PolarHBondContact O-N 2.92Å; N631-L634 WeakPolarHBondContact O-CB 3.48Å; N631-L634 PolarHBondContact O-N 3.07Å; D632-L634 PolarHBondContact O-N 2.91Å; L634-T638 WeakPolarHBondContact O-CG2 3.29Å |
| 635 | K | 40.4 | Very low | 41.2 | Very low | 148 Ų | 148 | 99.3 Ų | 99.3 | 64% | 0.643 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -76.7 | -32.7 | 173.9 | -61.9 | 167.7 | -169.6 | 169.3 | 0 | 112.1 | N631 D632 | N631-K635 PolarHBondContact O-N 2.97Å; D632-K635 WeakPolarHBondContact O-CB 3.36Å; D632-K635 PolarHBondContact O-N 2.88Å; D632-K635 WeakPolarHBondContact OD1-CE 3.4Å; D632-K635 IonicContact OD1-NZ 2.71Å; D632-K635 PolarHBondContact OD1-NZ 2.88Å |
| 636 | S | 38.6 | Very low | 41.1 | Very low | 93 Ų | 93 | 98.8 Ų | 98.8 | 65% | 0.65 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -83.9 | -20.7 | -179.6 | 54.6 | 0 | 0 | 0 | 0 | 114 | D632 N633 | D632-S636 PolarHBondContact O-N 3.03Å; N633-S636 PolarHBondContact O-OG 2.85Å; N633-S636 VanDerWaalsContact O-OG 3.11Å |
| 637 | T | 37.7 | Very low | 41.3 | Very low | 99 Ų | 99 | 97.9 Ų | 97.9 | 61% | 0.607 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -95.1 | -3.1 | -174.9 | 46.8 | 0 | 0 | 0 | 0 | 114.9 | N633 N639 | N633-T637 WeakPolarHBondContact O-CG2 3.33Å; N633-T637 PolarHBondContact O-N 3.36Å; N633-T637 PolarHBondContact O-OG1 3.23Å; T637-N639 PolarHBondContact O-N 3.05Å; T637-N639 VanDerWaalsContact O-N 3.14Å |
| 638 | T | 34.9 | Very low | 42.1 | Very low | 72 Ų | 72 | 98.8 Ų | 98.8 | 44% | 0.442 | 51% | 0.505 | S | S | . | . | trans | -88.7 | 57.4 | -177 | 52 | 0 | 0 | 0 | 0 | 115.2 | L634 V640 | L634-T638 WeakPolarHBondContact O-CG2 3.29Å; T638-V640 HydrophobicContact CG2-CG2 4.3Å; T638-V640 PolarHBondContact O-N 2.87Å | ||
| 639 | N | 31.8 | Very low | 43.7 | Very low | 163 Ų | 163 | 96.3 Ų | 96.3 | 87% | 0.872 | 49% | 0.493 | S | S | * | . | trans | -73.4 | 52.3 | 160.5 | -93.3 | -12.8 | 0 | 0 | 0 | 111.1 | T637 N641 | T637-N639 PolarHBondContact O-N 3.05Å; T637-N639 VanDerWaalsContact O-N 3.14Å; N639-N641 PolarHBondContact O-N 3.24Å | ||
| 640 | V | 39 | Very low | 45.3 | Very low | 71 Ų | 71 | 89.7 Ų | 89.7 | 43% | 0.43 | 47% | 0.465 | S | S | . | . | trans | -92.5 | 83.6 | -170 | -175.4 | 0 | 0 | 0 | 0 | 111.3 | T638 | T638-V640 HydrophobicContact CG2-CG2 4.3Å; T638-V640 PolarHBondContact O-N 2.87Å | ||
| 641 | N | 30.7 | Very low | 47.3 | Very low | 132 Ų | 132 | 89.1 Ų | 89.1 | 71% | 0.706 | 46% | 0.462 | S | S | * | . | trans | 20.7 | 111 | 150.6 | -72 | -39 | 0 | 0 | 0 | 117.8 | N639 R643 | N639-N641 PolarHBondContact O-N 3.24Å; N641-R643 PolarHBondContact O-N 2.74Å | ||
| 642 | N | 32.6 | Very low | 49.4 | Very low | 100 Ų | 100 | 87.1 Ų | 87.1 | 54% | 0.535 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -57.3 | 13.2 | 179.6 | -77.8 | -25.8 | 0 | 0 | 0 | 117.8 | N644 T1090 T1091 | N642-N644 VanDerWaalsContact C-N 3.3Å; N642-N644 PolarHBondContact O-N 2.91Å; N642-N644 VanDerWaalsContact O-N 3.17Å; N642-T1090 WeakPolarHBondContact CB-O 3.19Å; N642-T1091 WeakPolarHBondContact ND2-CB 3.41Å; N642-T1091 PolarHBondContact ND2-O 2.78Å; N642-T1091 PolarHBondContact OD1-OG1 2.95Å; N642-T1091 VanDerWaalsContact OD1-OG1 3.11Å |
| 643 | R | 34.7 | Very low | 51.7 | Low | 229 Ų | 229 | 83.4 Ų | 83.4 | 86% | 0.864 | 43% | 0.432 | S | S | * | . | trans | -78.3 | 8.4 | -169.3 | -67.6 | -170.4 | 178 | -173.7 | -0.3 | 116.2 | N641 | N641-R643 PolarHBondContact O-N 2.74Š| ||
| 644 | N | 37.8 | Very low | 53.9 | Low | 101 Ų | 101 | 79.8 Ų | 79.8 | 54% | 0.54 | 42% | 0.415 | S | S | . | . | trans | -138.8 | 93.2 | 176.8 | -90.3 | -70.1 | 0 | 0 | 0 | 112.6 | N642 N646 T647 | N642-N644 VanDerWaalsContact C-N 3.3Å; N642-N644 PolarHBondContact O-N 2.91Å; N642-N644 VanDerWaalsContact O-N 3.17Å; N644-N646 VanDerWaalsContact C-N 3.29Å; N644-N646 PolarHBondContact O-N 3.06Å; N644-T647 HydrophobicContact CB-CG2 3.84Å; N644-T647 WeakPolarHBondContact O-CG2 3.25Å; N644-T647 PolarHBondContact O-N 2.77Å; N644-T647 PolarHBondContact O-OG1 2.99Å; N644-T647 VanDerWaalsContact O-OG1 3.1Å | ||
| 645 | K | 41 | Very low | 56.1 | Low | 94 Ų | 94 | 77.6 Ų | 77.6 | 41% | 0.409 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -59.9 | -33.2 | -174.2 | -52.3 | 171.6 | -172 | -179.2 | 0 | 113.9 | T647 E998 T1090 | K645-T647 VanDerWaalsContact C-N 3.26Å; K645-T647 PolarHBondContact O-N 3.47Å; K645-E998 WeakPolarHBondContact CD-OE1 3.08Å; K645-E998 WeakPolarHBondContact CE-OE1 3.29Å; K645-E998 IonicContact NZ-OE1 2.68Å; K645-E998 PolarHBondContact NZ-OE1 2.6Å; K645-E998 IonicContact NZ-OE2 3.25Å; K645-E998 PolarHBondContact NZ-OE2 2.72Å; K645-T1090 HydrophobicContact CD-CG2 3.5Å; K645-T1090 VanDerWaalsContact CE-CG2 3.45Å; K645-T1090 HydrophobicContact CG-CG2 3.75Å |
| 646 | N | 47 | Very low | 58.3 | Low | 123 Ų | 123 | 72 Ų | 72 | 66% | 0.658 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -72.9 | -4.5 | -176.3 | -83 | -22.5 | 0 | 0 | 0 | 115.2 | N644 | N644-N646 VanDerWaalsContact C-N 3.29Å; N644-N646 PolarHBondContact O-N 3.06Å |
| 647 | T | 56.5 | Low | 60.3 | Low | 43 Ų | 43 | 73.9 Ų | 73.9 | 26% | 0.264 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -79.8 | -18.4 | -176.1 | 62.3 | 0 | 0 | 0 | 0 | 114.2 | T592 N644 K645 C649 I650 | T592-T647 HydrophobicContact CG2-CG2 3.78Å; N644-T647 HydrophobicContact CB-CG2 3.84Å; N644-T647 WeakPolarHBondContact O-CG2 3.25Å; N644-T647 PolarHBondContact O-N 2.77Å; N644-T647 PolarHBondContact O-OG1 2.99Å; N644-T647 VanDerWaalsContact O-OG1 3.1Å; K645-T647 VanDerWaalsContact C-N 3.26Å; K645-T647 PolarHBondContact O-N 3.47Å; T647-C649 PolarHBondContact O-N 3.02Å; T647-I650 PolarHBondContact O-N 3.47Å |
| 648 | K | 65.5 | Low | 62.4 | Low | 78 Ų | 78 | 71.7 Ų | 71.7 | 34% | 0.339 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -61.4 | -20.4 | -170 | -67.4 | -164.2 | 177.3 | -175 | 0 | 114.1 | W533 R651 I1088 K1089 T1091 | W533-K648 WeakPolarHBondContact CZ2-O 3.33Å; K648-R651 PolarHBondContact O-NH1 2.94Å; K648-R651 PolarHBondContact O-NH2 2.94Å; K648-I1088 PolarHBondContact NZ-O 3.49Å; K648-K1089 WeakPolarHBondContact CD-O 3.46Å; K648-K1089 WeakPolarHBondContact CE-O 3.31Å; K648-K1089 PolarHBondContact NZ-O 3.33Å; K648-K1089 VanDerWaalsContact NZ-O 3.16Å; K648-T1091 PolarHBondContact NZ-OG1 2.91Å; K648-T1091 VanDerWaalsContact NZ-OG1 3.08Å |
| 649 | C | 78.9 | Confident | 64.4 | Low | 21 Ų | 21 | 70.3 Ų | 70.3 | 14% | 0.142 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | -102.3 | 8.4 | 173.9 | 60.3 | 0 | 0 | 0 | 0 | 115.8 | W533 T647 I688 | W533-C649 HydrophobicContact CD2-CB 4.17Å; W533-C649 HydrophobicContact CE3-CB 4.3Å; W533-C649 HydrophobicContact CH2-CB 3.96Å; W533-C649 HydrophobicContact CZ2-CB 3.8Å; W533-C649 HydrophobicContact CZ3-CB 4.2Å; T647-C649 PolarHBondContact O-N 3.02Å; C649-I688 WeakPolarHBondContact O-CG1 3.44Å; C649-I688 PolarHBondContact O-N 2.87Å |
| 650 | I | 85.2 | Confident | 66.6 | Low | 7 Ų | 7 | 66.3 Ų | 66.3 | 4% | 0.036 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 130.5 | 178.4 | -50.4 | 173.2 | 0 | 0 | 0 | 110.7 | G590 T592 T647 N685 F686 K687 N701 | G590-I650 PolarHBondContact N-O 2.9Å; T592-I650 HydrophobicContact CG2-CD1 3.93Å; T647-I650 PolarHBondContact O-N 3.47Å; I650-N685 HydrophobicContact CG2-CB 4.07Å; I650-F686 CarbonylContact C-O 3.59Å; I650-F686 WeakPolarHBondContact CA-O 3.46Å; I650-K687 HydrophobicContact CG1-CB 4.42Å; I650-N701 HydrophobicContact CD1-CB 4.42Å; I650-N701 VanDerWaalsContact CD1-OD1 3.22Å; I650-N701 WeakPolarHBondContact CD1-OD1 3.34Å; I650-N701 HydrophobicContact CG2-CB 4.33Å |
| 651 | R | 89.1 | Confident | 68.6 | Low | 18 Ų | 18 | 63.6 Ų | 63.6 | 7% | 0.068 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 159.5 | -178.9 | -62.7 | -61.6 | 179.4 | -80.8 | -9.6 | 112.1 | F540 V587 S588 K648 F653 F686 I688 | F540-R651 HydrophobicContact CB-CG 4.4Å; F540-R651 PolarHBondContact O-NE 2.81Å; F540-R651 PolarHBondContact O-NH2 3.24Å; V587-R651 HydrophobicContact CG1-CB 4.45Å; V587-R651 HydrophobicContact CG1-CG 4.1Å; S588-R651 WeakPolarHBondContact O-CA 3.33Å; S588-R651 WeakPolarHBondContact O-CD 3.33Å; K648-R651 PolarHBondContact O-NH1 2.94Å; K648-R651 PolarHBondContact O-NH2 2.94Å; R651-F653 HydrophobicContact CB-CE1 4.42Å; R651-F653 HydrophobicContact CB-CE2 4.32Å; R651-F653 HydrophobicContact CB-CZ 4Å; R651-F686 PolarHBondContact N-O 3.32Å; R651-F686 PolarHBondContact O-N 3.49Å; R651-I688 HydrophobicContact CG-CG1 4.33Å |
| 652 | S | 88.8 | Confident | 71.3 | Confident | 19 Ų | 19 | 57.9 Ų | 57.9 | 13% | 0.133 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 154.3 | 163.8 | 44.6 | 0 | 0 | 0 | 0 | 109.9 | S588 Y589 F684 | S588-S652 PolarHBondContact N-O 3.08Å; S588-S652 PolarHBondContact O-N 3.03Å; S588-S652 PolarHBondContact OG-O 2.89Å; S588-S652 PolarHBondContact OG-OG 3.24Å; Y589-S652 PolarHBondContact O-OG 3.27Å; S652-F684 WeakPolarHBondContact CB-O 3.46Å |
| 653 | F | 91.2 | Very high | 74 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 109 | -170.5 | -64.3 | -68.7 | 0 | 0 | 0 | 110.2 | F540 I546 F548 F585 N586 V587 R651 S662 M663 F686 I688 L698 | F540-F653 HydrophobicContact CD1-CE1 4.32Å; F540-F653 HydrophobicContact CD1-CZ 4.19Å; F540-F653 HydrophobicContact CE1-CE1 4.46Å; F540-F653 HydrophobicContact CE1-CZ 4.19Å; I546-F653 HydrophobicContact CD1-CE1 4.41Å; F548-F653 HydrophobicContact CE2-CD1 4.13Å; F548-F653 HydrophobicContact CE2-CD2 4.45Å; F548-F653 HydrophobicContact CE2-CE1 4.05Å; F548-F653 HydrophobicContact CE2-CE2 4.38Å; F548-F653 HydrophobicContact CE2-CG 4.34Å; F548-F653 HydrophobicContact CE2-CZ 4.18Å; F548-F653 HydrophobicContact CZ-CD1 4.22Å; F548-F653 AromaticContact CZ-CE1 3.66Å; F548-F653 HydrophobicContact CZ-CE1 3.66Å; F548-F653 HydrophobicContact CZ-CE2 4.13Å; F548-F653 AromaticContact CZ-CZ 3.61Å; F548-F653 HydrophobicContact CZ-CZ 3.61Å; F585-F653 HydrophobicContact CB-CB 4.01Å; F585-F653 HydrophobicContact CB-CD1 4.22Å; F585-F653 HydrophobicContact CD1-CB 4.02Å; F585-F653 HydrophobicContact CG-CB 4.22Å; N586-F653 WeakPolarHBondContact O-CA 3.29Å; V587-F653 HydrophobicContact CG2-CD1 4.38Å; V587-F653 HydrophobicContact CG2-CE1 4.08Å; R651-F653 HydrophobicContact CB-CE1 4.42Å; R651-F653 HydrophobicContact CB-CE2 4.32Å; R651-F653 HydrophobicContact CB-CZ 4Å; F653-S662 WeakPolarHBondContact O-CA 3.17Å; F653-M663 HydrophobicContact CB-CB 3.96Å; F653-M663 HydrophobicContact CB-CE 4.26Å; F653-M663 HydrophobicContact CB-SD 4.36Å; F653-M663 HydrophobicContact CD2-SD 4.04Å; F653-M663 WeakPolarHBondContact O-CB 3.48Å; F653-M663 PolarHBondContact O-N 3.32Å; F653-F686 HydrophobicContact CD2-CD2 4Å; F653-F686 HydrophobicContact CE2-CB 4.09Å; F653-F686 HydrophobicContact CE2-CD2 4.36Å; F653-F686 HydrophobicContact CE2-CG 4.44Å; F653-I688 HydrophobicContact CE2-CD1 3.96Å; F653-I688 HydrophobicContact CZ-CD1 3.7Å; F653-L698 HydrophobicContact CE2-CD2 4.04Å; F653-L698 HydrophobicContact CZ-CD2 4.43Å |
| 654 | S | 89.4 | Confident | 76.4 | Confident | 18 Ų | 18 | 42.3 Ų | 42.3 | 13% | 0.126 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 146.2 | 176.3 | 64.2 | 0 | 0 | 0 | 0 | 111.9 | F585 N586 A656 L661 | F585-S654 CarbonylContact C-O 3.37Å; F585-S654 VanDerWaalsContact CA-O 3.3Å; F585-S654 WeakPolarHBondContact CA-O 3.16Å; N586-S654 PolarHBondContact N-O 2.86Å; N586-S654 PolarHBondContact O-N 3.24Å; N586-S654 VanDerWaalsContact O-N 3.14Å; S654-A656 PolarHBondContact O-N 2.7Å; S654-L661 CarbonylContact C-O 3.59Å; S654-L661 VanDerWaalsContact CA-O 3.31Å; S654-L661 WeakPolarHBondContact CA-O 3.25Å; S654-L661 WeakPolarHBondContact CB-O 3.03Å |
| 655 | S | 88.3 | Confident | 78.5 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.1 | 133.9 | 174.3 | 169.6 | 0 | 0 | 0 | 0 | 110.2 | E583 N586 Q657 N658 P659 L661 | E583-S655 WeakPolarHBondContact OE1-CA 3.09Å; E583-S655 WeakPolarHBondContact OE1-CB 3.21Å; E583-S655 PolarHBondContact OE1-OG 3.45Å; N586-S655 PolarHBondContact ND2-O 3.31Å; S655-Q657 VanDerWaalsContact C-N 3.29Å; S655-Q657 PolarHBondContact OG-N 2.92Å; S655-N658 WeakPolarHBondContact CB-O 3.43Å; S655-N658 CarbonylContact O-C 3.5Å; S655-N658 PolarHBondContact OG-N 3Å; S655-P659 VanDerWaalsContact O-CA 3.29Å; S655-P659 WeakPolarHBondContact O-CA 3.34Å; S655-L661 PolarHBondContact N-O 3.2Å |
| 656 | A | 85.6 | Confident | 80 | Confident | 30 Ų | 30 | 34.8 Ų | 34.8 | 25% | 0.248 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -83.2 | -8.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | K545 V584 N586 S654 | K545-A656 HydrophobicContact CD-CB 4.44Å; V584-A656 HydrophobicContact CB-CB 3.94Å; V584-A656 HydrophobicContact CG1-CB 3.86Å; V584-A656 WeakPolarHBondContact O-CB 3.48Å; V584-A656 PolarHBondContact O-N 3.12Å; N586-A656 WeakPolarHBondContact ND2-CA 3.44Å; N586-A656 WeakPolarHBondContact OD1-CB 3.22Å; S654-A656 PolarHBondContact O-N 2.7Å |
| 657 | Q | 81.4 | Confident | 80.7 | Confident | 134 Ų | 134 | 35.2 Ų | 35.2 | 63% | 0.626 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -88.8 | -40 | 168 | -55.5 | -166.5 | 58.7 | 0 | 0 | 110.8 | E583 S655 | E583-Q657 PolarHBondContact OE2-NE2 2.74Å; S655-Q657 VanDerWaalsContact C-N 3.29Å; S655-Q657 PolarHBondContact OG-N 2.92Å |
| 658 | N | 81.8 | Confident | 81.1 | Confident | 52 Ų | 52 | 41 Ų | 41 | 28% | 0.278 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -126.7 | 79.2 | -177.6 | -60 | -71.9 | 0 | 0 | 0 | 111.1 | S655 W660 L661 | S655-N658 WeakPolarHBondContact CB-O 3.43Å; S655-N658 CarbonylContact O-C 3.5Å; S655-N658 PolarHBondContact OG-N 3Å; N658-W660 HydrophobicContact CB-CD2 4.45Å; N658-W660 HydrophobicContact CB-CH2 4.32Å; N658-W660 HydrophobicContact CB-CZ2 3.81Å; N658-W660 PolarHBondContact O-N 3.45Å; N658-W660 VanDerWaalsContact OD1-CZ2 3.22Å; N658-W660 WeakPolarHBondContact OD1-CZ2 3.34Å; N658-L661 HydrophobicContact CB-CB 4.28Å; N658-L661 HydrophobicContact CB-CD1 3.89Å; N658-L661 HydrophobicContact CB-CG 4.09Å; N658-L661 WeakPolarHBondContact O-CB 3.47Å; N658-L661 PolarHBondContact O-N 2.84Å |
| 659 | P | 77.4 | Confident | 81.1 | Confident | 43 Ų | 43 | 39.1 Ų | 39.1 | 28% | 0.279 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -13.8 | -170 | -27.3 | 37.1 | 0 | 0 | 0 | 117.3 | Y627 S655 | Y627-P659 WeakPolarHBondContact CE1-O 3.01Å; Y627-P659 PolarHBondContact OH-O 3.35Å; S655-P659 VanDerWaalsContact O-CA 3.29Å; S655-P659 WeakPolarHBondContact O-CA 3.34Å |
| 660 | W | 76.2 | Confident | 80.8 | Confident | 80 Ų | 80 | 38.4 Ų | 38.4 | 30% | 0.303 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -18.4 | 172.1 | 53.3 | 92.2 | 0 | 0 | 0 | 113.3 | N658 | N658-W660 HydrophobicContact CB-CD2 4.45Å; N658-W660 HydrophobicContact CB-CH2 4.32Å; N658-W660 HydrophobicContact CB-CZ2 3.81Å; N658-W660 PolarHBondContact O-N 3.45Å; N658-W660 VanDerWaalsContact OD1-CZ2 3.22Å; N658-W660 WeakPolarHBondContact OD1-CZ2 3.34Å |
| 661 | L | 82.5 | Confident | 80.8 | Confident | 13 Ų | 13 | 38.2 Ų | 38.2 | 7% | 0.068 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 129 | 176.2 | -65.2 | -177.6 | 0 | 0 | 0 | 111.3 | S654 S655 N658 L673 I675 | S654-L661 CarbonylContact C-O 3.59Å; S654-L661 VanDerWaalsContact CA-O 3.31Å; S654-L661 WeakPolarHBondContact CA-O 3.25Å; S654-L661 WeakPolarHBondContact CB-O 3.03Å; S655-L661 PolarHBondContact N-O 3.2Å; N658-L661 HydrophobicContact CB-CB 4.28Å; N658-L661 HydrophobicContact CB-CD1 3.89Å; N658-L661 HydrophobicContact CB-CG 4.09Å; N658-L661 WeakPolarHBondContact O-CB 3.47Å; N658-L661 PolarHBondContact O-N 2.84Å; L661-L673 HydrophobicContact CB-CB 4.12Å; L661-L673 HydrophobicContact CB-CD1 4.34Å; L661-L673 HydrophobicContact CB-CD2 4.28Å; L661-L673 HydrophobicContact CB-CG 4.49Å; L661-L673 HydrophobicContact CD1-CB 4.27Å; L661-L673 HydrophobicContact CD1-CD1 4.36Å; L661-I675 HydrophobicContact CD2-CG1 3.92Å |
| 662 | S | 86 | Confident | 80.6 | Confident | 13 Ų | 13 | 37.8 Ų | 37.8 | 9% | 0.091 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 144.5 | 177.6 | -65.1 | 0 | 0 | 0 | 0 | 111.9 | F653 C664 L673 K674 | F653-S662 WeakPolarHBondContact O-CA 3.17Å; S662-C664 PolarHBondContact O-N 2.81Å; S662-L673 WeakPolarHBondContact O-CA 3.48Å; S662-K674 PolarHBondContact N-O 2.87Å; S662-K674 PolarHBondContact O-N 3.27Å |
| 663 | M | 89.4 | Confident | 80.4 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 130.4 | 175.3 | -172.2 | -174.7 | -73.8 | 0 | 0 | 109.7 | F548 M557 I565 F585 F653 L671 F684 F686 | F548-M663 HydrophobicContact CD2-CE 4.3Å; F548-M663 HydrophobicContact CE2-CE 4.29Å; M557-M663 HydrophobicContact SD-CE 3.77Å; I565-M663 HydrophobicContact CD1-CE 4.3Å; I565-M663 HydrophobicContact CD1-CG 4.38Å; F585-M663 HydrophobicContact CD1-CE 3.84Å; F585-M663 HydrophobicContact CD2-CE 4.15Å; F585-M663 HydrophobicContact CE1-CE 3.52Å; F585-M663 HydrophobicContact CE2-CE 3.86Å; F585-M663 HydrophobicContact CG-CE 4.15Å; F585-M663 HydrophobicContact CZ-CE 3.53Å; F653-M663 HydrophobicContact CB-CB 3.96Å; F653-M663 HydrophobicContact CB-CE 4.26Å; F653-M663 HydrophobicContact CB-SD 4.36Å; F653-M663 HydrophobicContact CD2-SD 4.04Å; F653-M663 WeakPolarHBondContact O-CB 3.48Å; F653-M663 PolarHBondContact O-N 3.32Å; M663-L671 HydrophobicContact CE-CD2 4.43Å; M663-L671 HydrophobicContact CG-CD1 3.69Å; M663-L671 HydrophobicContact CG-CD2 4.33Å; M663-L671 HydrophobicContact CG-CG 4.15Å; M663-L671 HydrophobicContact SD-CD1 4.08Å; M663-L671 HydrophobicContact SD-CD2 4.18Å; M663-F684 WeakPolarHBondContact O-CA 3.44Å; M663-F684 WeakPolarHBondContact O-CD1 3.38Å; M663-F686 HydrophobicContact CB-CE2 4.08Å; M663-F686 HydrophobicContact CG-CE2 3.75Å; M663-F686 HydrophobicContact CG-CZ 3.85Å; M663-F686 HydrophobicContact SD-CD2 4.4Å; M663-F686 HydrophobicContact SD-CE2 3.9Å; M663-F686 HydrophobicContact SD-CZ 3.99Å |
| 664 | C | 86.3 | Confident | 79.9 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.007 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 123.5 | -175 | 165.4 | 0 | 0 | 0 | 0 | 107.9 | S662 N672 K674 C683 F684 | S662-C664 PolarHBondContact O-N 2.81Å; C664-N672 PolarHBondContact N-O 3.39Å; C664-N672 PolarHBondContact O-N 2.93Å; C664-K674 HydrophobicContact CB-CB 4.25Å; C664-K674 HydrophobicContact CB-CD 4.41Å; C664-K674 HydrophobicContact CB-CG 4.22Å; C664-C683 WeakPolarHBondContact CA-O 3.43Å; C664-C683 PolarHBondContact SG-SG 3.1Å; C664-F684 HydrophobicContact CB-CD1 3.93Å; C664-F684 HydrophobicContact CB-CE1 3.72Å; C664-F684 HydrophobicContact CB-CZ 4.16Å |
| 665 | L | 81.9 | Confident | 79.3 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 101.2 | 170.5 | -172.7 | 53.1 | 0 | 0 | 0 | 109.9 | L671 C683 F686 I700 I711 V713 S723 | L665-L671 HydrophobicContact CB-CD1 3.93Å; L665-L671 HydrophobicContact CD1-CB 4.03Å; L665-L671 HydrophobicContact CD1-CD1 4.01Å; L665-L671 HydrophobicContact CG-CD1 4.47Å; L665-C683 PolarHBondContact N-O 2.82Å; L665-C683 WeakPolarHBondContact O-CB 3.5Å; L665-F686 HydrophobicContact CB-CE1 3.83Å; L665-F686 HydrophobicContact CB-CZ 3.92Å; L665-I700 HydrophobicContact CB-CD1 3.91Å; L665-I700 HydrophobicContact CB-CG1 4.14Å; L665-I700 HydrophobicContact CD2-CD1 3.65Å; L665-I700 HydrophobicContact CD2-CG1 3.72Å; L665-I700 HydrophobicContact CG-CD1 3.75Å; L665-I700 HydrophobicContact CG-CG1 4.22Å; L665-I711 HydrophobicContact CD2-CG2 4.18Å; L665-V713 HydrophobicContact CD2-CB 4.49Å; L665-V713 HydrophobicContact CD2-CG2 3.88Å; L665-S723 WeakPolarHBondContact CD1-OG 3.4Å; L665-S723 WeakPolarHBondContact CG-OG 3.39Å |
| 666 | D | 71.1 | Confident | 78.1 | Confident | 36 Ų | 36 | 46.8 Ų | 46.8 | 19% | 0.193 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 143 | 177.8 | -168.6 | -63.6 | 0 | 0 | 0 | 109.7 | I668 A669 G670 K674 S723 | D666-I668 VanDerWaalsContact C-N 3.33Å; D666-I668 PolarHBondContact OD1-N 3.36Å; D666-A669 HydrophobicContact CB-CB 3.89Å; D666-A669 PolarHBondContact OD1-N 2.77Å; D666-G670 WeakPolarHBondContact CB-O 3.35Å; D666-G670 PolarHBondContact N-O 2.85Å; D666-G670 PolarHBondContact O-N 2.77Å; D666-K674 IonicContact OD2-NZ 2.64Å; D666-K674 PolarHBondContact OD2-NZ 2.87Å; D666-S723 WeakPolarHBondContact O-CB 3.38Å; D666-S723 PolarHBondContact O-OG 2.85Å |
| 667 | E | 63.1 | Low | 76.7 | Confident | 132 Ų | 132 | 48.2 Ų | 48.2 | 62% | 0.617 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -28.5 | -178.6 | -64.6 | -171.2 | -133.8 | 0 | 0 | 112.8 | K702 | E667-K702 WeakPolarHBondContact OE1-CE 3.13Å; E667-K702 IonicContact OE1-NZ 2.73Å; E667-K702 PolarHBondContact OE1-NZ 2.93Å; E667-K702 IonicContact OE2-NZ 3.75Å; E667-K702 PolarHBondContact OE2-NZ 2.75Å; E667-K702 VanDerWaalsContact OE2-NZ 3.08Å |
| 668 | I | 64.8 | Low | 74.9 | Confident | 164 Ų | 164 | 45.5 Ų | 45.5 | 84% | 0.841 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -104.2 | -44.6 | -177.1 | -55 | 175.6 | 0 | 0 | 0 | 110 | D666 | D666-I668 VanDerWaalsContact C-N 3.33Å; D666-I668 PolarHBondContact OD1-N 3.36Å |
| 669 | A | 64.2 | Low | 73.2 | Confident | 38 Ų | 38 | 49.7 Ų | 49.7 | 31% | 0.314 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.2 | -4.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115 | D666 N672 | D666-A669 HydrophobicContact CB-CB 3.89Å; D666-A669 PolarHBondContact OD1-N 2.77Å; A669-N672 VanDerWaalsContact C-ND2 3.26Å; A669-N672 PolarHBondContact O-ND2 2.94Å |
| 670 | G | 72.9 | Confident | 72.2 | Confident | 7 Ų | 7 | 52.5 Ų | 52.5 | 7% | 0.072 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 82.4 | -157.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | D666 N672 | D666-G670 WeakPolarHBondContact CB-O 3.35Å; D666-G670 PolarHBondContact N-O 2.85Å; D666-G670 PolarHBondContact O-N 2.77Å; G670-N672 PolarHBondContact O-ND2 3.33Å |
| 671 | L | 85.5 | Confident | 71.3 | Confident | 2 Ų | 2 | 51.2 Ų | 51.2 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 121.1 | 176.9 | -166.9 | 74.2 | 0 | 0 | 0 | 110.6 | M557 I565 M663 L665 F686 V713 V721 | M557-L671 HydrophobicContact CE-CD2 3.74Å; M557-L671 HydrophobicContact SD-CD2 4.13Å; I565-L671 HydrophobicContact CB-CB 4.47Å; I565-L671 HydrophobicContact CB-CD2 4.1Å; I565-L671 HydrophobicContact CB-CG 4.35Å; I565-L671 HydrophobicContact CD1-CD2 3.91Å; I565-L671 HydrophobicContact CD1-CG 4.06Å; I565-L671 HydrophobicContact CG2-CD2 4.05Å; I565-L671 PolarHBondContact N-O 3.22Å; M663-L671 HydrophobicContact CE-CD2 4.43Å; M663-L671 HydrophobicContact CG-CD1 3.69Å; M663-L671 HydrophobicContact CG-CD2 4.33Å; M663-L671 HydrophobicContact CG-CG 4.15Å; M663-L671 HydrophobicContact SD-CD1 4.08Å; M663-L671 HydrophobicContact SD-CD2 4.18Å; L665-L671 HydrophobicContact CB-CD1 3.93Å; L665-L671 HydrophobicContact CD1-CB 4.03Å; L665-L671 HydrophobicContact CD1-CD1 4.01Å; L665-L671 HydrophobicContact CG-CD1 4.47Å; L671-F686 HydrophobicContact CD1-CE1 4.22Å; L671-F686 HydrophobicContact CD1-CZ 3.89Å; L671-V713 HydrophobicContact CD1-CG2 4.09Å; L671-V713 HydrophobicContact CD2-CG1 3.93Å; L671-V721 HydrophobicContact CB-CB 4.2Å; L671-V721 HydrophobicContact CB-CG1 3.55Å; L671-V721 HydrophobicContact CD2-CG1 3.88Å; L671-V721 HydrophobicContact CG-CG1 4.35Å |
| 672 | N | 85.2 | Confident | 70.6 | Confident | 10 Ų | 10 | 54.1 Ų | 54.1 | 5% | 0.053 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 163 | -172.7 | -64.8 | -84.1 | 0 | 0 | 0 | 111.5 | N563 R564 C664 A669 G670 | N563-N672 CarbonylContact O-C 3.56Å; N563-N672 WeakPolarHBondContact O-CA 3.43Å; R564-N672 WeakPolarHBondContact CG-OD1 3.28Å; C664-N672 PolarHBondContact N-O 3.39Å; C664-N672 PolarHBondContact O-N 2.93Å; A669-N672 VanDerWaalsContact C-ND2 3.26Å; A669-N672 PolarHBondContact O-ND2 2.94Å; G670-N672 PolarHBondContact O-ND2 3.33Å |
| 673 | L | 84.9 | Confident | 70.1 | Confident | 3 Ų | 3 | 54.5 Ų | 54.5 | 2% | 0.016 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 119.7 | 164 | -81.5 | -177.9 | 0 | 0 | 0 | 109.8 | I559 N563 I565 F585 L661 S662 | I559-L673 HydrophobicContact CD1-CD1 3.42Å; I559-L673 VanDerWaalsContact CD1-CD1 3.42Å; I559-L673 HydrophobicContact CG1-CD1 3.68Å; N563-L673 HydrophobicContact CB-CB 4.08Å; N563-L673 VanDerWaalsContact CB-O 3.31Å; N563-L673 WeakPolarHBondContact CB-O 3.29Å; N563-L673 PolarHBondContact O-N 3.48Å; I565-L673 HydrophobicContact CD1-CG 4.39Å; F585-L673 HydrophobicContact CE1-CD2 4.23Å; L661-L673 HydrophobicContact CB-CB 4.12Å; L661-L673 HydrophobicContact CB-CD1 4.34Å; L661-L673 HydrophobicContact CB-CD2 4.28Å; L661-L673 HydrophobicContact CB-CG 4.49Å; L661-L673 HydrophobicContact CD1-CB 4.27Å; L661-L673 HydrophobicContact CD1-CD1 4.36Å; S662-L673 WeakPolarHBondContact O-CA 3.48Å |
| 674 | K | 80.4 | Confident | 69.8 | Low | 81 Ų | 81 | 55 Ų | 55 | 35% | 0.352 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 155.3 | 175.7 | -64.2 | -169.2 | -173.1 | -179.6 | 0 | 111 | S662 C664 D666 F684 | S662-K674 PolarHBondContact N-O 2.87Å; S662-K674 PolarHBondContact O-N 3.27Å; C664-K674 HydrophobicContact CB-CB 4.25Å; C664-K674 HydrophobicContact CB-CD 4.41Å; C664-K674 HydrophobicContact CB-CG 4.22Å; D666-K674 IonicContact OD2-NZ 2.64Å; D666-K674 PolarHBondContact OD2-NZ 2.87Å; K674-F684 HydrophobicContact CB-CE1 4.01Å; K674-F684 HydrophobicContact CB-CZ 3.98Å |
| 675 | I | 76.2 | Confident | 69.7 | Low | 85 Ų | 85 | 55.5 Ų | 55.5 | 44% | 0.436 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 136.2 | 164.6 | -59.9 | 175.4 | 0 | 0 | 0 | 107.8 | L661 S677 F684 | L661-I675 HydrophobicContact CD2-CG1 3.92Å; I675-S677 PolarHBondContact O-N 2.81Å; I675-F684 WeakPolarHBondContact O-CZ 3.42Å |
| 676 | S | 64.3 | Low | 70 | Confident | 57 Ų | 57 | 55.4 Ų | 55.4 | 40% | 0.399 | 30% | 0.304 | S | S | . | . | trans | -72.3 | 91.7 | -178.1 | -163.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 677 | S | 54.5 | Low | 70.9 | Confident | 60 Ų | 60 | 55.8 Ų | 55.8 | 42% | 0.42 | 30% | 0.304 | S | S | . | . | trans | -84.8 | 168.3 | -178.3 | 78.9 | 0 | 0 | 0 | 0 | 112.3 | I675 L679 | I675-S677 PolarHBondContact O-N 2.81Å; S677-L679 PolarHBondContact O-N 2.72Å | ||
| 678 | N | 43.7 | Very low | 72.2 | Confident | 77 Ų | 77 | 49.5 Ų | 49.5 | 41% | 0.412 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -83.5 | -8.1 | -163.6 | -154.4 | 33.9 | 0 | 0 | 0 | 115.3 | R601 | R601-N678 WeakPolarHBondContact CD-OD1 3.37Å; R601-N678 PolarHBondContact NH1-OD1 2.85Å |
| 679 | L | 46.5 | Very low | 73.4 | Confident | 139 Ų | 139 | 43.7 Ų | 43.7 | 73% | 0.728 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -90.7 | -59.1 | -175.6 | -74.6 | 80.6 | 0 | 0 | 0 | 111.4 | S677 S681 | S677-L679 PolarHBondContact O-N 2.72Å; L679-S681 PolarHBondContact O-N 3.26Å; L679-S681 VanDerWaalsContact O-N 3.16Å |
| 680 | D | 55.7 | Low | 74.5 | Confident | 102 Ų | 102 | 42 Ų | 42 | 55% | 0.545 | 23% | 0.227 | S | C | . | . | trans | -94.2 | 58 | -168.4 | -60.4 | -57.1 | 0 | 0 | 0 | 114.3 | Q682 C683 F684 | D680-Q682 PolarHBondContact O-N 2.87Å; D680-C683 PolarHBondContact O-N 2.88Å; D680-C683 PolarHBondContact O-SG 2.76Å; D680-F684 WeakPolarHBondContact O-CD2 3.42Å | ||
| 681 | S | 58.7 | Low | 75 | Confident | 53 Ų | 53 | 43.2 Ų | 43.2 | 37% | 0.371 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -6.3 | -179.6 | 65.6 | 0 | 0 | 0 | 0 | 115.1 | L679 N685 | L679-S681 PolarHBondContact O-N 3.26Å; L679-S681 VanDerWaalsContact O-N 3.16Å; S681-N685 PolarHBondContact O-ND2 2.95Å |
| 682 | Q | 66.4 | Low | 74.6 | Confident | 74 Ų | 74 | 46.1 Ų | 46.1 | 35% | 0.346 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -32.6 | -178.8 | -60 | -176.6 | 47.6 | 0 | 0 | 113.3 | D680 F684 N685 I700 K702 | D680-Q682 PolarHBondContact O-N 2.87Å; Q682-F684 PolarHBondContact O-N 2.79Å; Q682-N685 PolarHBondContact O-N 2.9Å; Q682-I700 WeakPolarHBondContact O-CG2 3.27Å; Q682-K702 VanDerWaalsContact OE1-CA 3.28Å |
| 683 | C | 76 | Confident | 74.1 | Confident | 22 Ų | 22 | 51.7 Ų | 51.7 | 15% | 0.149 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -15.5 | -175.2 | 62 | 0 | 0 | 0 | 0 | 114.7 | C664 L665 D680 | C664-C683 WeakPolarHBondContact CA-O 3.43Å; C664-C683 PolarHBondContact SG-SG 3.1Å; L665-C683 PolarHBondContact N-O 2.82Å; L665-C683 WeakPolarHBondContact O-CB 3.5Å; D680-C683 PolarHBondContact O-N 2.88Å; D680-C683 PolarHBondContact O-SG 2.76Å |
| 684 | F | 82.5 | Confident | 73.9 | Confident | 11 Ų | 11 | 52.4 Ų | 52.4 | 5% | 0.048 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -7.8 | 174.3 | -62.5 | -88 | 0 | 0 | 0 | 113.9 | S652 M663 C664 K674 I675 D680 Q682 | S652-F684 WeakPolarHBondContact CB-O 3.46Å; M663-F684 WeakPolarHBondContact O-CA 3.44Å; M663-F684 WeakPolarHBondContact O-CD1 3.38Å; C664-F684 HydrophobicContact CB-CD1 3.93Å; C664-F684 HydrophobicContact CB-CE1 3.72Å; C664-F684 HydrophobicContact CB-CZ 4.16Å; K674-F684 HydrophobicContact CB-CE1 4.01Å; K674-F684 HydrophobicContact CB-CZ 3.98Å; I675-F684 WeakPolarHBondContact O-CZ 3.42Å; D680-F684 WeakPolarHBondContact O-CD2 3.42Å; Q682-F684 PolarHBondContact O-N 2.79Å |
| 685 | N | 85 | Confident | 74.3 | Confident | 10 Ų | 10 | 49 Ų | 49 | 5% | 0.053 | 27% | 0.265 | C | S | . | . | trans | -106.4 | 107 | -172.2 | -87.3 | -54.4 | 0 | 0 | 0 | 110.9 | G590 L591 I650 S681 Q682 N701 | G590-N685 VanDerWaalsContact C-OD1 3.29Å; G590-N685 WeakPolarHBondContact CA-OD1 3.26Å; L591-N685 PolarHBondContact N-OD1 3.34Å; L591-N685 PolarHBondContact O-ND2 2.79Å; I650-N685 HydrophobicContact CG2-CB 4.07Å; S681-N685 PolarHBondContact O-ND2 2.95Å; Q682-N685 PolarHBondContact O-N 2.9Å; N685-N701 HydrophobicContact CB-CB 4.2Å; N685-N701 WeakPolarHBondContact O-CB 3.42Å; N685-N701 PolarHBondContact O-N 2.87Å | ||
| 686 | F | 88.5 | Confident | 75 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 123.5 | -179.5 | -62.3 | -87.9 | 0 | 0 | 0 | 111.2 | I650 R651 F653 M663 L665 L671 L698 E699 V713 | I650-F686 CarbonylContact C-O 3.59Å; I650-F686 WeakPolarHBondContact CA-O 3.46Å; R651-F686 PolarHBondContact N-O 3.32Å; R651-F686 PolarHBondContact O-N 3.49Å; F653-F686 HydrophobicContact CD2-CD2 4Å; F653-F686 HydrophobicContact CE2-CB 4.09Å; F653-F686 HydrophobicContact CE2-CD2 4.36Å; F653-F686 HydrophobicContact CE2-CG 4.44Å; M663-F686 HydrophobicContact CB-CE2 4.08Å; M663-F686 HydrophobicContact CG-CE2 3.75Å; M663-F686 HydrophobicContact CG-CZ 3.85Å; M663-F686 HydrophobicContact SD-CD2 4.4Å; M663-F686 HydrophobicContact SD-CE2 3.9Å; M663-F686 HydrophobicContact SD-CZ 3.99Å; L665-F686 HydrophobicContact CB-CE1 3.83Å; L665-F686 HydrophobicContact CB-CZ 3.92Å; L671-F686 HydrophobicContact CD1-CE1 4.22Å; L671-F686 HydrophobicContact CD1-CZ 3.89Å; F686-L698 HydrophobicContact CB-CD2 4.44Å; F686-L698 HydrophobicContact CD1-CB 4.02Å; F686-E699 CarbonylContact C-O 3.39Å; F686-E699 WeakPolarHBondContact CA-O 3.34Å; F686-V713 HydrophobicContact CD1-CG2 4.24Å; F686-V713 HydrophobicContact CE1-CG2 3.79Å |
| 687 | K | 88.9 | Confident | 76.2 | Confident | 45 Ų | 45 | 42.2 Ų | 42.2 | 20% | 0.196 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 119.5 | 167.5 | 174.8 | 178.6 | 165.1 | -132.7 | 0 | 108.2 | I650 E699 | I650-K687 HydrophobicContact CG1-CB 4.42Å; K687-E699 HydrophobicContact CB-CB 4.29Å; K687-E699 WeakPolarHBondContact CD-OE2 3.47Å; K687-E699 WeakPolarHBondContact CE-OE2 3.22Å; K687-E699 PolarHBondContact N-O 3.47Å; K687-E699 IonicContact NZ-OE1 2.76Å; K687-E699 PolarHBondContact NZ-OE1 2.9Å; K687-E699 IonicContact NZ-OE2 3.83Å; K687-E699 PolarHBondContact NZ-OE2 3.16Å; K687-E699 PolarHBondContact O-N 2.83Å |
| 688 | I | 91.2 | Very high | 78 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 129.4 | 179.8 | -47.9 | -53 | 0 | 0 | 0 | 109.3 | W533 F540 C649 R651 F653 P690 I696 L698 | W533-I688 HydrophobicContact CH2-CB 4.5Å; W533-I688 HydrophobicContact CZ3-CB 3.82Å; W533-I688 HydrophobicContact CZ3-CG1 4.36Å; W533-I688 HydrophobicContact CZ3-CG2 3.95Å; F540-I688 HydrophobicContact CD1-CD1 4.22Å; F540-I688 HydrophobicContact CD1-CG1 4.02Å; F540-I688 HydrophobicContact CD2-CG2 4.26Å; F540-I688 HydrophobicContact CE1-CD1 4.1Å; F540-I688 HydrophobicContact CE1-CG1 4.21Å; F540-I688 HydrophobicContact CE1-CG2 4.18Å; F540-I688 HydrophobicContact CE2-CG2 3.88Å; F540-I688 HydrophobicContact CG-CG1 4.32Å; F540-I688 HydrophobicContact CZ-CG2 3.83Å; C649-I688 WeakPolarHBondContact O-CG1 3.44Å; C649-I688 PolarHBondContact O-N 2.87Å; R651-I688 HydrophobicContact CG-CG1 4.33Å; F653-I688 HydrophobicContact CE2-CD1 3.96Å; F653-I688 HydrophobicContact CZ-CD1 3.7Å; I688-P690 WeakPolarHBondContact O-CD 3.26Å; I688-I696 HydrophobicContact CG2-CB 4.09Å; I688-I696 HydrophobicContact CG2-CD1 4.19Å; I688-I696 HydrophobicContact CG2-CG2 4.05Å; I688-L698 HydrophobicContact CD1-CD2 3.44Å; I688-L698 VanDerWaalsContact CD1-CD2 3.44Å |
| 689 | R | 89.2 | Confident | 80.1 | Confident | 42 Ų | 42 | 36.4 Ų | 36.4 | 16% | 0.158 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 85.2 | -176.2 | -62.9 | -69.2 | -72.6 | 169.5 | 8.2 | 109.9 | E529 I696 A697 E699 I729 | E529-R689 VanDerWaalsContact CD-CZ 3.43Å; E529-R689 WeakPolarHBondContact OE1-CD 3.44Å; E529-R689 IonicContact OE1-CZ 3.45Å; E529-R689 IonicContact OE1-NE 2.64Å; E529-R689 IonicContact OE1-NH1 3.55Å; E529-R689 PolarHBondContact OE1-NH1 3.49Å; E529-R689 IonicContact OE2-CZ 2.83Å; E529-R689 IonicContact OE2-NH1 2.7Å; E529-R689 PolarHBondContact OE2-NH1 2.68Å; E529-R689 IonicContact OE2-NH2 3.22Å; R689-I696 CarbonylContact O-C 3.6Å; R689-I696 WeakPolarHBondContact O-CA 3.4Å; R689-A697 HydrophobicContact CB-CB 4.2Å; R689-A697 PolarHBondContact N-O 3.25Å; R689-A697 PolarHBondContact O-N 2.86Å; R689-E699 WeakPolarHBondContact CD-OE2 2.94Å; R689-E699 HydrophobicContact CG-CB 3.87Å; R689-E699 WeakPolarHBondContact CG-OE2 3.34Å; R689-E699 IonicContact NE-OE2 3.71Å; R689-E699 PolarHBondContact NE-OE2 2.88Å; R689-I729 HydrophobicContact CB-CD1 3.53Å; R689-I729 HydrophobicContact CG-CD1 4.32Å |
| 690 | P | 88.5 | Confident | 81.8 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 150.3 | -177.3 | 32.8 | -37 | 0 | 0 | 0 | 112.1 | E529 F532 W533 E536 I688 L695 I696 | E529-P690 HydrophobicContact CG-CG 4.27Å; E529-P690 WeakPolarHBondContact O-CG 3.27Å; F532-P690 HydrophobicContact CB-CB 3.83Å; F532-P690 HydrophobicContact CB-CG 4.1Å; W533-P690 HydrophobicContact CB-CG 3.77Å; W533-P690 HydrophobicContact CE3-CG 4.18Å; E536-P690 HydrophobicContact CB-CB 4.44Å; I688-P690 WeakPolarHBondContact O-CD 3.26Å; P690-L695 WeakPolarHBondContact CA-O 3.31Å; P690-I696 HydrophobicContact CB-CG2 4.16Å |
| 691 | Q | 83.8 | Confident | 82.8 | Confident | 34 Ų | 34 | 27.2 Ų | 27.2 | 16% | 0.159 | 14% | 0.141 | C | C | . | . | trans | -133.4 | -175.1 | -174.8 | -60.9 | -68.6 | -93.8 | 0 | 0 | 109.6 | F532 L695 I729 L735 | F532-Q691 WeakPolarHBondContact CD2-O 3.47Å; F532-Q691 VanDerWaalsContact CE2-C 3.48Å; F532-Q691 WeakPolarHBondContact CG-O 3.36Å; Q691-L695 HydrophobicContact CB-CB 4.37Å; Q691-L695 PolarHBondContact N-O 2.73Å; Q691-I729 HydrophobicContact CG-CD1 4.19Å; Q691-I729 HydrophobicContact CG-CG1 4.33Å; Q691-I729 VanDerWaalsContact OE1-CG2 3.29Å; Q691-L735 HydrophobicContact CG-CD2 4Å | ||
| 692 | S | 75.5 | Confident | 83.2 | Confident | 62 Ų | 62 | 28.1 Ų | 28.1 | 43% | 0.434 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -62.2 | 173.3 | 169.2 | 51.2 | 0 | 0 | 0 | 0 | 111.9 | R694 L695 | S692-R694 PolarHBondContact O-N 2.89Å; S692-R694 VanDerWaalsContact O-N 3.08Å; S692-L695 WeakPolarHBondContact O-CB 3.5Å; S692-L695 PolarHBondContact O-N 2.96Å |
| 693 | E | 75.7 | Confident | 82.5 | Confident | 128 Ų | 128 | 30.8 Ų | 30.8 | 60% | 0.598 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 30 | 179.2 | -51.4 | -39.7 | 115 | 0 | 0 | 115.2 | L695 | E693-L695 HydrophobicContact CB-CD1 4.19Å; E693-L695 HydrophobicContact CB-CG 4.31Å; E693-L695 PolarHBondContact O-N 3.16Å; E693-L695 VanDerWaalsContact O-N 3.09Å |
| 694 | R | 80.6 | Confident | 81 | Confident | 18 Ų | 18 | 35.7 Ų | 35.7 | 7% | 0.068 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 13.2 | -176.8 | -50.6 | -72.5 | -168.6 | 148.6 | -3 | 114 | E536 S692 L737 E755 Y883 | E536-R694 WeakPolarHBondContact OE1-CD 3.31Å; E536-R694 IonicContact OE1-NH1 3.91Å; S692-R694 PolarHBondContact O-N 2.89Å; S692-R694 VanDerWaalsContact O-N 3.08Å; R694-L737 HydrophobicContact CB-CD1 4.04Å; R694-L737 WeakPolarHBondContact O-CD1 3.1Å; R694-E755 PolarHBondContact NH2-O 3.06Å; R694-Y883 HydrophobicContact CG-CD1 3.9Å; R694-Y883 HydrophobicContact CG-CE1 4.01Å; R694-Y883 HydrophobicContact CG-CG 4.27Å |
| 695 | L | 88 | Confident | 78.9 | Confident | 9 Ų | 9 | 39.1 Ų | 39.1 | 5% | 0.047 | 20% | 0.195 | C | C | . | . | trans | -78.2 | 156 | -177.4 | -67 | 168.8 | 0 | 0 | 0 | 112.1 | Y551 P690 Q691 S692 E693 L735 L737 | Y551-L695 HydrophobicContact CD2-CD1 3.83Å; Y551-L695 HydrophobicContact CD2-CD2 3.87Å; Y551-L695 HydrophobicContact CE2-CD1 3.98Å; Y551-L695 HydrophobicContact CG-CD1 4.18Å; Y551-L695 HydrophobicContact CG-CD2 4.21Å; P690-L695 WeakPolarHBondContact CA-O 3.31Å; Q691-L695 HydrophobicContact CB-CB 4.37Å; Q691-L695 PolarHBondContact N-O 2.73Å; S692-L695 WeakPolarHBondContact O-CB 3.5Å; S692-L695 PolarHBondContact O-N 2.96Å; E693-L695 HydrophobicContact CB-CD1 4.19Å; E693-L695 HydrophobicContact CB-CG 4.31Å; E693-L695 PolarHBondContact O-N 3.16Å; E693-L695 VanDerWaalsContact O-N 3.09Å; L695-L735 HydrophobicContact CD1-CB 4.3Å; L695-L735 HydrophobicContact CD1-CD1 4.02Å; L695-L737 HydrophobicContact CD2-CB 4.09Å; L695-L737 HydrophobicContact CD2-CD1 3.9Å; L695-L737 HydrophobicContact CG-CD1 4.49Å | ||
| 696 | I | 91.9 | Very high | 76.8 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 150.4 | 173.6 | 66.5 | 115.3 | 0 | 0 | 0 | 111.1 | F540 F548 I688 R689 P690 L698 F736 P738 | F540-I696 HydrophobicContact CE1-CD1 4.49Å; F540-I696 HydrophobicContact CE2-CG2 4.13Å; F540-I696 HydrophobicContact CZ-CD1 4.08Å; F540-I696 HydrophobicContact CZ-CG1 4.22Å; F540-I696 HydrophobicContact CZ-CG2 4.11Å; F548-I696 HydrophobicContact CD1-CD1 4.25Å; F548-I696 HydrophobicContact CE1-CD1 3.8Å; I688-I696 HydrophobicContact CG2-CB 4.09Å; I688-I696 HydrophobicContact CG2-CD1 4.19Å; I688-I696 HydrophobicContact CG2-CG2 4.05Å; R689-I696 CarbonylContact O-C 3.6Å; R689-I696 WeakPolarHBondContact O-CA 3.4Å; P690-I696 HydrophobicContact CB-CG2 4.16Å; I696-L698 HydrophobicContact CD1-CD2 3.52Å; I696-L698 HydrophobicContact CD1-CG 3.91Å; I696-F736 HydrophobicContact CD1-CB 4.44Å; I696-F736 HydrophobicContact CG1-CB 4.32Å; I696-F736 WeakPolarHBondContact CG1-O 3.45Å; I696-F736 PolarHBondContact N-O 2.85Å; I696-F736 PolarHBondContact O-N 2.92Å; I696-P738 HydrophobicContact CG1-CG 4.26Å; I696-P738 HydrophobicContact CG2-CG 4.24Å |
| 697 | A | 90.4 | Very high | 74.7 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 157 | 160.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | R689 I729 K734 | R689-A697 HydrophobicContact CB-CB 4.2Å; R689-A697 PolarHBondContact N-O 3.25Å; R689-A697 PolarHBondContact O-N 2.86Å; A697-I729 HydrophobicContact CB-CD1 3.8Å; A697-I729 HydrophobicContact CB-CG1 3.86Å; A697-K734 WeakPolarHBondContact CA-O 3.48Å; A697-K734 WeakPolarHBondContact CB-O 3.46Å |
| 698 | L | 90.7 | Very high | 72.9 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 103.5 | -179.9 | -63.9 | 176.5 | 0 | 0 | 0 | 109.3 | F548 M557 F653 F686 I688 I696 H712 V713 | F548-L698 HydrophobicContact CZ-CD2 4.48Å; M557-L698 HydrophobicContact CE-CD1 4.26Å; F653-L698 HydrophobicContact CE2-CD2 4.04Å; F653-L698 HydrophobicContact CZ-CD2 4.43Å; F686-L698 HydrophobicContact CB-CD2 4.44Å; F686-L698 HydrophobicContact CD1-CB 4.02Å; I688-L698 HydrophobicContact CD1-CD2 3.44Å; I688-L698 VanDerWaalsContact CD1-CD2 3.44Å; I696-L698 HydrophobicContact CD1-CD2 3.52Å; I696-L698 HydrophobicContact CD1-CG 3.91Å; L698-H712 CarbonylContact O-C 3.51Å; L698-H712 VanDerWaalsContact O-CA 3.27Å; L698-H712 WeakPolarHBondContact O-CA 3.44Å; L698-V713 HydrophobicContact CB-CB 4.12Å; L698-V713 HydrophobicContact CB-CG2 3.56Å; L698-V713 HydrophobicContact CD1-CG2 4.09Å; L698-V713 HydrophobicContact CG-CG2 4.46Å; L698-V713 PolarHBondContact O-N 2.84Å |
| 699 | E | 87.5 | Confident | 71.5 | Confident | 15 Ų | 15 | 61.8 Ų | 61.8 | 7% | 0.07 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 135 | -179.1 | -177.6 | -174.8 | -179.1 | 0 | 0 | 110.5 | F686 K687 R689 N701 K710 I711 | F686-E699 CarbonylContact C-O 3.39Å; F686-E699 WeakPolarHBondContact CA-O 3.34Å; K687-E699 HydrophobicContact CB-CB 4.29Å; K687-E699 WeakPolarHBondContact CD-OE2 3.47Å; K687-E699 WeakPolarHBondContact CE-OE2 3.22Å; K687-E699 PolarHBondContact N-O 3.47Å; K687-E699 IonicContact NZ-OE1 2.76Å; K687-E699 PolarHBondContact NZ-OE1 2.9Å; K687-E699 IonicContact NZ-OE2 3.83Å; K687-E699 PolarHBondContact NZ-OE2 3.16Å; K687-E699 PolarHBondContact O-N 2.83Å; R689-E699 WeakPolarHBondContact CD-OE2 2.94Å; R689-E699 HydrophobicContact CG-CB 3.87Å; R689-E699 WeakPolarHBondContact CG-OE2 3.34Å; R689-E699 IonicContact NE-OE2 3.71Å; R689-E699 PolarHBondContact NE-OE2 2.88Å; E699-N701 PolarHBondContact O-N 3.01Å; E699-K710 WeakPolarHBondContact OE1-CG 3.49Å; E699-I711 CarbonylContact C-O 3.56Å; E699-I711 WeakPolarHBondContact CA-O 3.45Å |
| 700 | I | 83.7 | Confident | 70.7 | Confident | 14 Ų | 14 | 65.8 Ų | 65.8 | 7% | 0.072 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 128.1 | 175.8 | -49.1 | 178.7 | 0 | 0 | 0 | 109.8 | L665 Q682 K702 I711 | L665-I700 HydrophobicContact CB-CD1 3.91Å; L665-I700 HydrophobicContact CB-CG1 4.14Å; L665-I700 HydrophobicContact CD2-CD1 3.65Å; L665-I700 HydrophobicContact CD2-CG1 3.72Å; L665-I700 HydrophobicContact CG-CD1 3.75Å; L665-I700 HydrophobicContact CG-CG1 4.22Å; Q682-I700 WeakPolarHBondContact O-CG2 3.27Å; I700-K702 VanDerWaalsContact C-N 3.28Å; I700-K702 HydrophobicContact CG2-CG 4.01Å; I700-K702 PolarHBondContact O-N 3.1Å; I700-I711 HydrophobicContact CD1-CB 4Å; I700-I711 HydrophobicContact CD1-CD1 4.49Å; I700-I711 HydrophobicContact CD1-CG2 3.58Å; I700-I711 HydrophobicContact CG1-CB 4.25Å; I700-I711 HydrophobicContact CG1-CG2 4.03Å; I700-I711 PolarHBondContact N-O 3.49Å |
| 701 | N | 76.3 | Confident | 70.3 | Confident | 34 Ų | 34 | 66.6 Ų | 66.6 | 18% | 0.182 | 33% | 0.328 | C | S | . | . | trans | -79.8 | 73.3 | 171.1 | -173.8 | 88.4 | 0 | 0 | 0 | 111.6 | I650 N685 E699 | I650-N701 HydrophobicContact CD1-CB 4.42Å; I650-N701 VanDerWaalsContact CD1-OD1 3.22Å; I650-N701 WeakPolarHBondContact CD1-OD1 3.34Å; I650-N701 HydrophobicContact CG2-CB 4.33Å; N685-N701 HydrophobicContact CB-CB 4.2Å; N685-N701 WeakPolarHBondContact O-CB 3.42Å; N685-N701 PolarHBondContact O-N 2.87Å; E699-N701 PolarHBondContact O-N 3.01Å | ||
| 702 | K | 66.4 | Low | 70.3 | Confident | 72 Ų | 72 | 65.3 Ų | 65.3 | 31% | 0.313 | 32% | 0.322 | S | S | . | . | trans | -73.7 | 152.2 | 164.7 | -71.3 | -171.3 | 171.9 | -171.8 | 0 | 110.8 | E667 Q682 I700 I711 | E667-K702 WeakPolarHBondContact OE1-CE 3.13Å; E667-K702 IonicContact OE1-NZ 2.73Å; E667-K702 PolarHBondContact OE1-NZ 2.93Å; E667-K702 IonicContact OE2-NZ 3.75Å; E667-K702 PolarHBondContact OE2-NZ 2.75Å; E667-K702 VanDerWaalsContact OE2-NZ 3.08Å; Q682-K702 VanDerWaalsContact OE1-CA 3.28Å; I700-K702 VanDerWaalsContact C-N 3.28Å; I700-K702 HydrophobicContact CG2-CG 4.01Å; I700-K702 PolarHBondContact O-N 3.1Å; K702-I711 HydrophobicContact CD-CD1 4.46Å | ||
| 703 | R | 52.4 | Low | 70.9 | Confident | 130 Ų | 130 | 62.4 Ų | 62.4 | 49% | 0.491 | 30% | 0.302 | S | S | . | . | trans | -120.3 | -15 | -172.9 | -100.4 | -175.2 | 170.1 | 167.4 | -2.9 | 117.6 | T592 | T592-R703 PolarHBondContact O-NH1 3.25Å; T592-R703 PolarHBondContact O-NH2 2.91Å | ||
| 704 | N | 44.7 | Very low | 71.4 | Confident | 125 Ų | 125 | 59.2 Ų | 59.2 | 67% | 0.668 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -120.8 | 154.4 | -173.2 | -69.9 | 16.7 | 0 | 0 | 0 | 112.4 | ||
| 705 | S | 39.1 | Very low | 71.7 | Confident | 83 Ų | 83 | 58.4 Ų | 58.4 | 58% | 0.58 | 28% | 0.282 | S | S | * | . | trans | 75.5 | 127.2 | -173.1 | 76.7 | 0 | 0 | 0 | 0 | 115.8 | Q707 S708 | S705-Q707 PolarHBondContact O-N 2.85Å; S705-Q707 VanDerWaalsContact O-N 3.17Å; S705-S708 PolarHBondContact O-N 3.23Å | ||
| 706 | L | 41 | Very low | 71.3 | Confident | 174 Ų | 174 | 58.3 Ų | 58.3 | 91% | 0.911 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -11.8 | 178.4 | -77.2 | 71.4 | 0 | 0 | 0 | 112.9 | ||
| 707 | Q | 43 | Very low | 70.6 | Confident | 145 Ų | 145 | 63.3 Ų | 63.3 | 68% | 0.678 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.8 | 11.4 | -178.2 | -64 | 179 | -12.6 | 0 | 0 | 113.3 | S705 R709 | S705-Q707 PolarHBondContact O-N 2.85Å; S705-Q707 VanDerWaalsContact O-N 3.17Å; Q707-R709 PolarHBondContact O-N 3.46Å |
| 708 | S | 52.3 | Low | 70.1 | Confident | 57 Ų | 57 | 66.9 Ų | 66.9 | 40% | 0.399 | 33% | 0.334 | S | S | . | . | trans | -64.9 | 109.1 | -176.9 | 70.2 | 0 | 0 | 0 | 0 | 111.8 | S705 | S705-S708 PolarHBondContact O-N 3.23Š| ||
| 709 | R | 60.3 | Low | 69.5 | Low | 154 Ų | 154 | 66.9 Ų | 66.9 | 58% | 0.581 | 33% | 0.334 | S | S | * | . | trans | -60.9 | 138 | 174.7 | -60.3 | -177.7 | -177.4 | 174.6 | 2.1 | 110.1 | Q707 I711 T726 | Q707-R709 PolarHBondContact O-N 3.46Å; R709-I711 PolarHBondContact O-N 2.94Å; R709-T726 HydrophobicContact CB-CG2 3.58Å; R709-T726 HydrophobicContact CG-CG2 4.35Å | ||
| 710 | K | 74.1 | Confident | 69.2 | Low | 127 Ų | 127 | 73.9 Ų | 73.9 | 55% | 0.552 | 36% | 0.36 | S | S | * | . | trans | -68 | 102.9 | 178 | -60.8 | 177 | -175 | 163.7 | 0 | 110.2 | E699 H712 | E699-K710 WeakPolarHBondContact OE1-CG 3.49Å; K710-H712 PolarHBondContact O-CE1 3.3Å; K710-H712 PolarHBondContact O-ND1 2.77Å; K710-H712 VanDerWaalsContact O-ND1 3.13Å | ||
| 711 | I | 78.2 | Confident | 69 | Low | 18 Ų | 18 | 73.9 Ų | 73.9 | 9% | 0.092 | 36% | 0.361 | C | S | . | . | trans | -86.5 | 128.2 | 179.2 | -63.7 | 167.3 | 0 | 0 | 0 | 109.3 | L665 E699 I700 K702 R709 | L665-I711 HydrophobicContact CD2-CG2 4.18Å; E699-I711 CarbonylContact C-O 3.56Å; E699-I711 WeakPolarHBondContact CA-O 3.45Å; I700-I711 HydrophobicContact CD1-CB 4Å; I700-I711 HydrophobicContact CD1-CD1 4.49Å; I700-I711 HydrophobicContact CD1-CG2 3.58Å; I700-I711 HydrophobicContact CG1-CB 4.25Å; I700-I711 HydrophobicContact CG1-CG2 4.03Å; I700-I711 PolarHBondContact N-O 3.49Å; K702-I711 HydrophobicContact CD-CD1 4.46Å; R709-I711 PolarHBondContact O-N 2.94Å | ||
| 712 | H | 84.3 | Confident | 68.6 | Low | 7 Ų | 7 | 75.7 Ų | 75.7 | 3% | 0.032 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 152.5 | 174.6 | -56.4 | 75.9 | 0 | 0 | 0 | 110.1 | L698 K710 K734 | L698-H712 CarbonylContact O-C 3.51Å; L698-H712 VanDerWaalsContact O-CA 3.27Å; L698-H712 WeakPolarHBondContact O-CA 3.44Å; K710-H712 PolarHBondContact O-CE1 3.3Å; K710-H712 PolarHBondContact O-ND1 2.77Å; K710-H712 VanDerWaalsContact O-ND1 3.13Å; H712-K734 HydrophobicContact CB-CD 4.08Å; H712-K734 HydrophobicContact CB-CG 4.31Å |
| 713 | V | 87.9 | Confident | 68.2 | Low | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 137.5 | 161.3 | -175.1 | 0 | 0 | 0 | 0 | 108.4 | M557 L665 L671 F686 L698 V721 F736 | M557-V713 HydrophobicContact CE-CG1 4.25Å; L665-V713 HydrophobicContact CD2-CB 4.49Å; L665-V713 HydrophobicContact CD2-CG2 3.88Å; L671-V713 HydrophobicContact CD1-CG2 4.09Å; L671-V713 HydrophobicContact CD2-CG1 3.93Å; F686-V713 HydrophobicContact CD1-CG2 4.24Å; F686-V713 HydrophobicContact CE1-CG2 3.79Å; L698-V713 HydrophobicContact CB-CB 4.12Å; L698-V713 HydrophobicContact CB-CG2 3.56Å; L698-V713 HydrophobicContact CD1-CG2 4.09Å; L698-V713 HydrophobicContact CG-CG2 4.46Å; L698-V713 PolarHBondContact O-N 2.84Å; V713-V721 HydrophobicContact CG1-CG1 3.48Å; V713-V721 VanDerWaalsContact CG1-CG1 3.48Å; V713-F736 HydrophobicContact CB-CE2 3.97Å; V713-F736 HydrophobicContact CB-CZ 4.15Å; V713-F736 HydrophobicContact CG1-CE2 3.97Å; V713-F736 HydrophobicContact CG1-CZ 3.62Å |
| 714 | Y | 87.2 | Confident | 68.3 | Low | 62 Ų | 62 | 69 Ų | 69 | 24% | 0.243 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 136.5 | 177.6 | 173.8 | -87.5 | 0 | 0 | 0 | 112.1 | V721 V722 A725 I731 G733 K734 | Y714-V721 CarbonylContact O-C 3.57Å; Y714-V721 WeakPolarHBondContact O-CA 3.13Å; Y714-V722 HydrophobicContact CD1-CG2 3.65Å; Y714-V722 HydrophobicContact CE1-CG2 4.39Å; Y714-V722 PolarHBondContact N-O 2.84Å; Y714-V722 PolarHBondContact O-N 2.94Å; Y714-A725 HydrophobicContact CD2-CB 3.96Å; Y714-A725 HydrophobicContact CG-CB 3.76Å; Y714-I731 HydrophobicContact CE2-CG2 3.92Å; Y714-G733 CarbonylContact C-O 3.6Å; Y714-G733 WeakPolarHBondContact CA-O 3.38Å; Y714-K734 HydrophobicContact CD2-CG 3.91Å |
| 715 | V | 86.1 | Confident | 69.1 | Low | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 127.7 | 171.9 | -162.1 | 0 | 0 | 0 | 0 | 108.7 | L552 T553 C567 R720 V721 G733 F736 | L552-V715 WeakPolarHBondContact CD2-O 3.23Å; T553-V715 HydrophobicContact CG2-CG1 4.34Å; C567-V715 HydrophobicContact CB-CG1 3.7Å; C567-V715 HydrophobicContact CB-CG2 4.41Å; V715-R720 WeakPolarHBondContact CA-O 2.93Å; V715-V721 HydrophobicContact CG2-CG2 4.34Å; V715-G733 PolarHBondContact N-O 2.97Å; V715-G733 WeakPolarHBondContact O-CA 3.47Å; V715-F736 HydrophobicContact CG2-CE1 3.39Å; V715-F736 HydrophobicContact CG2-CZ 3.48Å; V715-F736 VanDerWaalsContact CG2-CZ 3.48Å |
| 716 | G | 79.2 | Confident | 70.2 | Confident | 7 Ų | 7 | 62.5 Ų | 62.5 | 7% | 0.072 | 32% | 0.324 | C | S | . | . | trans | -73.1 | 164.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D718 G719 R720 | G716-D718 PolarHBondContact O-N 3.08Å; G716-G719 PolarHBondContact O-N 2.83Å; G716-R720 PolarHBondContact N-O 2.9Å | ||
| 717 | P | 79 | Confident | 71.1 | Confident | 106 Ų | 106 | 56.6 Ų | 56.6 | 69% | 0.688 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -25.6 | 173.2 | -23.5 | 33.8 | 0 | 0 | 0 | 113.5 | L552 G719 | L552-P717 HydrophobicContact CD2-CG 4.22Å; P717-G719 PolarHBondContact O-N 3.37Å |
| 718 | D | 78.5 | Confident | 72.1 | Confident | 74 Ų | 74 | 53.7 Ų | 53.7 | 40% | 0.396 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | 1.1 | 174.1 | 71.8 | -18.3 | 0 | 0 | 0 | 113.9 | Q568 G716 R720 | Q568-D718 WeakPolarHBondContact CG-O 3.26Å; Q568-D718 PolarHBondContact NE2-O 2.99Å; G716-D718 PolarHBondContact O-N 3.08Å; D718-R720 VanDerWaalsContact C-N 3.29Å; D718-R720 PolarHBondContact O-N 2.79Å; D718-R720 WeakPolarHBondContact OD1-CB 3.46Å; D718-R720 PolarHBondContact OD1-N 2.82Å; D718-R720 WeakPolarHBondContact OD2-CD 3.42Å; D718-R720 VanDerWaalsContact OD2-CG 3.24Å; D718-R720 WeakPolarHBondContact OD2-CG 3.37Å; D718-R720 IonicContact OD2-CZ 2.66Å; D718-R720 IonicContact OD2-NE 3.08Å; D718-R720 IonicContact OD2-NH1 3.88Å |
| 719 | G | 78.3 | Confident | 73.1 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | S | Bend | trans | 74.9 | 7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | C567 G716 P717 | C567-G719 CarbonylContact C-O 3.6Å; C567-G719 WeakPolarHBondContact CA-O 3.46Å; C567-G719 PolarHBondContact N-O 2.94Å; C567-G719 WeakPolarHBondContact O-CA 3.49Å; G716-G719 PolarHBondContact O-N 2.83Å; P717-G719 PolarHBondContact O-N 3.37Å |
| 720 | R | 81.8 | Confident | 73.5 | Confident | 163 Ų | 163 | 49.8 Ų | 49.8 | 62% | 0.615 | 29% | 0.289 | S | S | * | . | B | Isolated β-bridge | trans | -79.9 | 135.8 | 175.3 | -66.5 | -174.9 | -177.6 | 154.5 | -4.4 | 110.8 | V715 G716 D718 | V715-R720 WeakPolarHBondContact CA-O 2.93Å; G716-R720 PolarHBondContact N-O 2.9Å; D718-R720 VanDerWaalsContact C-N 3.29Å; D718-R720 PolarHBondContact O-N 2.79Å; D718-R720 WeakPolarHBondContact OD1-CB 3.46Å; D718-R720 PolarHBondContact OD1-N 2.82Å; D718-R720 WeakPolarHBondContact OD2-CD 3.42Å; D718-R720 VanDerWaalsContact OD2-CG 3.24Å; D718-R720 WeakPolarHBondContact OD2-CG 3.37Å; D718-R720 IonicContact OD2-CZ 2.66Å; D718-R720 IonicContact OD2-NE 3.08Å; D718-R720 IonicContact OD2-NH1 3.88Å |
| 721 | V | 78.4 | Confident | 73.6 | Confident | 13 Ų | 13 | 46.7 Ų | 46.7 | 8% | 0.079 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 114.9 | 177.9 | -169.2 | 0 | 0 | 0 | 0 | 110.1 | I565 C567 L671 V713 Y714 V715 | I565-V721 HydrophobicContact CG2-CG2 4.38Å; I565-V721 WeakPolarHBondContact O-CB 3.37Å; I565-V721 WeakPolarHBondContact O-CG2 3.43Å; C567-V721 HydrophobicContact CB-CG2 4.5Å; L671-V721 HydrophobicContact CB-CB 4.2Å; L671-V721 HydrophobicContact CB-CG1 3.55Å; L671-V721 HydrophobicContact CD2-CG1 3.88Å; L671-V721 HydrophobicContact CG-CG1 4.35Å; V713-V721 HydrophobicContact CG1-CG1 3.48Å; V713-V721 VanDerWaalsContact CG1-CG1 3.48Å; Y714-V721 CarbonylContact O-C 3.57Å; Y714-V721 WeakPolarHBondContact O-CA 3.13Å; V715-V721 HydrophobicContact CG2-CG2 4.34Å |
| 722 | V | 68.7 | Low | 73.7 | Confident | 72 Ų | 72 | 48.7 Ų | 48.7 | 44% | 0.436 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 160.2 | -179.3 | -65.6 | 0 | 0 | 0 | 0 | 112 | Y714 | Y714-V722 HydrophobicContact CD1-CG2 3.65Å; Y714-V722 HydrophobicContact CE1-CG2 4.39Å; Y714-V722 PolarHBondContact N-O 2.84Å; Y714-V722 PolarHBondContact O-N 2.94Å |
| 723 | S | 58.3 | Low | 73.6 | Confident | 25 Ų | 25 | 48.4 Ų | 48.4 | 18% | 0.175 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 165.4 | 176.2 | -162.9 | 0 | 0 | 0 | 0 | 111.9 | L665 D666 | L665-S723 WeakPolarHBondContact CD1-OG 3.4Å; L665-S723 WeakPolarHBondContact CG-OG 3.39Å; D666-S723 WeakPolarHBondContact O-CB 3.38Å; D666-S723 PolarHBondContact O-OG 2.85Å |
| 724 | G | 55.1 | Low | 73.6 | Confident | 37 Ų | 37 | 48.5 Ų | 48.5 | 38% | 0.381 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 86.4 | 10.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | T726 | G724-T726 PolarHBondContact O-N 2.92Å |
| 725 | A | 60.2 | Low | 73.7 | Confident | 18 Ų | 18 | 46.2 Ų | 46.2 | 15% | 0.149 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 89.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113 | Y714 K734 | Y714-A725 HydrophobicContact CD2-CB 3.96Å; Y714-A725 HydrophobicContact CG-CB 3.76Å; A725-K734 WeakPolarHBondContact O-CE 3.19Å; A725-K734 PolarHBondContact O-NZ 3.13Å |
| 726 | T | 62.3 | Low | 73.9 | Confident | 54 Ų | 54 | 46.2 Ų | 46.2 | 33% | 0.331 | 28% | 0.283 | S | S | . | . | trans | -80.3 | -179.4 | 172.6 | 66 | 0 | 0 | 0 | 0 | 111.7 | R709 G724 K734 | R709-T726 HydrophobicContact CB-CG2 3.58Å; R709-T726 HydrophobicContact CG-CG2 4.35Å; G724-T726 PolarHBondContact O-N 2.92Å; T726-K734 PolarHBondContact O-NZ 3.22Å | ||
| 727 | G | 60.4 | Low | 74.4 | Confident | 50 Ų | 50 | 46.4 Ų | 46.4 | 52% | 0.515 | 28% | 0.282 | S | S | . | . | S | Bend | trans | 81.9 | -170.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | K734 | G727-K734 VanDerWaalsContact C-NZ 3.34Å; G727-K734 PolarHBondContact O-NZ 2.86Å |
| 728 | P | 64.2 | Low | 75 | Confident | 83 Ų | 83 | 41.5 Ų | 41.5 | 54% | 0.539 | 25% | 0.25 | S | S | . | . | trans | -53.4 | 146.2 | -171.3 | -28.7 | 35.5 | 0 | 0 | 0 | 115 | T730 I731 K734 | P728-T730 VanDerWaalsContact C-N 3.33Å; P728-I731 HydrophobicContact CB-CG1 4.45Å; P728-I731 WeakPolarHBondContact O-CG1 3.29Å; P728-K734 WeakPolarHBondContact O-CD 2.91Å; P728-K734 WeakPolarHBondContact O-CE 3.28Å; P728-K734 PolarHBondContact O-NZ 2.91Å | ||
| 729 | I | 73.7 | Confident | 75.5 | Confident | 32 Ų | 32 | 39.9 Ų | 39.9 | 16% | 0.164 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -26.4 | 177.1 | -176.4 | 164 | 0 | 0 | 0 | 112.6 | R689 Q691 A697 I731 L735 | R689-I729 HydrophobicContact CB-CD1 3.53Å; R689-I729 HydrophobicContact CG-CD1 4.32Å; Q691-I729 HydrophobicContact CG-CD1 4.19Å; Q691-I729 HydrophobicContact CG-CG1 4.33Å; Q691-I729 VanDerWaalsContact OE1-CG2 3.29Å; A697-I729 HydrophobicContact CB-CD1 3.8Å; A697-I729 HydrophobicContact CB-CG1 3.86Å; I729-I731 PolarHBondContact O-N 2.91Å; I729-I731 VanDerWaalsContact O-N 3.15Å; I729-L735 WeakPolarHBondContact O-CD2 3.4Å |
| 730 | T | 67.5 | Low | 76 | Confident | 98 Ų | 98 | 40.3 Ų | 40.3 | 60% | 0.601 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -8.3 | -179 | 46.9 | 0 | 0 | 0 | 0 | 114.9 | P728 P732 | P728-T730 VanDerWaalsContact C-N 3.33Å; T730-P732 WeakPolarHBondContact O-CD 3.15Å |
| 731 | I | 75.6 | Confident | 76.3 | Confident | 62 Ų | 62 | 36 Ų | 36 | 32% | 0.318 | 23% | 0.227 | S | C | . | . | trans | -63.6 | 120.4 | 178.3 | -63.6 | 176.5 | 0 | 0 | 0 | 109.4 | Y714 P728 I729 G733 K734 | Y714-I731 HydrophobicContact CE2-CG2 3.92Å; P728-I731 HydrophobicContact CB-CG1 4.45Å; P728-I731 WeakPolarHBondContact O-CG1 3.29Å; I729-I731 PolarHBondContact O-N 2.91Å; I729-I731 VanDerWaalsContact O-N 3.15Å; I731-G733 VanDerWaalsContact C-N 3.28Å; I731-G733 PolarHBondContact O-N 2.77Å; I731-K734 HydrophobicContact CB-CD 4.25Å; I731-K734 HydrophobicContact CB-CG 4.35Å; I731-K734 WeakPolarHBondContact O-CB 3.34Å; I731-K734 PolarHBondContact O-N 3Å | ||
| 732 | P | 80.6 | Confident | 76.6 | Confident | 59 Ų | 59 | 36.1 Ų | 36.1 | 38% | 0.383 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -50.4 | -38.4 | -171.7 | -34.6 | 38.2 | 0 | 0 | 0 | 116 | Y551 L552 T730 K734 L735 | Y551-P732 HydrophobicContact CD1-CB 3.82Å; Y551-P732 HydrophobicContact CE1-CB 3.94Å; Y551-P732 HydrophobicContact CE1-CG 4.34Å; L552-P732 HydrophobicContact CD1-CB 4.27Å; T730-P732 WeakPolarHBondContact O-CD 3.15Å; P732-K734 PolarHBondContact O-N 2.97Å; P732-L735 PolarHBondContact O-N 3.01Å; P732-L735 VanDerWaalsContact O-N 3.1Å |
| 733 | G | 83.2 | Confident | 77.4 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 2% | 0.021 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -65.3 | -14.2 | 178 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y714 V715 I731 | Y714-G733 CarbonylContact C-O 3.6Å; Y714-G733 WeakPolarHBondContact CA-O 3.38Å; V715-G733 PolarHBondContact N-O 2.97Å; V715-G733 WeakPolarHBondContact O-CA 3.47Å; I731-G733 VanDerWaalsContact C-N 3.28Å; I731-G733 PolarHBondContact O-N 2.77Å |
| 734 | K | 86.5 | Confident | 79 | Confident | 1 Ų | 1 | 33 Ų | 33 | 0% | 0.004 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -89.1 | -11.1 | 174.3 | -60.7 | -178.6 | -178 | 173.1 | 0 | 113.4 | A697 H712 Y714 A725 T726 G727 P728 I731 P732 F736 | A697-K734 WeakPolarHBondContact CA-O 3.48Å; A697-K734 WeakPolarHBondContact CB-O 3.46Å; H712-K734 HydrophobicContact CB-CD 4.08Å; H712-K734 HydrophobicContact CB-CG 4.31Å; Y714-K734 HydrophobicContact CD2-CG 3.91Å; A725-K734 WeakPolarHBondContact O-CE 3.19Å; A725-K734 PolarHBondContact O-NZ 3.13Å; T726-K734 PolarHBondContact O-NZ 3.22Å; G727-K734 VanDerWaalsContact C-NZ 3.34Å; G727-K734 PolarHBondContact O-NZ 2.86Å; P728-K734 WeakPolarHBondContact O-CD 2.91Å; P728-K734 WeakPolarHBondContact O-CE 3.28Å; P728-K734 PolarHBondContact O-NZ 2.91Å; I731-K734 HydrophobicContact CB-CD 4.25Å; I731-K734 HydrophobicContact CB-CG 4.35Å; I731-K734 WeakPolarHBondContact O-CB 3.34Å; I731-K734 PolarHBondContact O-N 3Å; P732-K734 PolarHBondContact O-N 2.97Å; K734-F736 VanDerWaalsContact O-CD2 3.31Å; K734-F736 WeakPolarHBondContact O-CD2 3.37Å; K734-F736 WeakPolarHBondContact O-CE2 3.39Å |
| 735 | L | 89.5 | Confident | 80.6 | Confident | 14 Ų | 14 | 35.3 Ų | 35.3 | 7% | 0.073 | 21% | 0.209 | C | C | . | . | trans | -95.9 | 132.5 | -170.6 | -58.3 | 177.7 | 0 | 0 | 0 | 110.1 | Y551 Q691 L695 I729 P732 | Y551-L735 WeakPolarHBondContact CB-O 2.98Å; Y551-L735 HydrophobicContact CD1-CB 4.16Å; Y551-L735 HydrophobicContact CD1-CD1 4.21Å; Y551-L735 HydrophobicContact CE1-CD1 4.48Å; Y551-L735 HydrophobicContact CG-CB 4.18Å; Y551-L735 PolarHBondContact N-O 3.5Å; Q691-L735 HydrophobicContact CG-CD2 4Å; L695-L735 HydrophobicContact CD1-CB 4.3Å; L695-L735 HydrophobicContact CD1-CD1 4.02Å; I729-L735 WeakPolarHBondContact O-CD2 3.4Å; P732-L735 PolarHBondContact O-N 3.01Å; P732-L735 VanDerWaalsContact O-N 3.1Å | ||
| 736 | F | 91.5 | Very high | 82.1 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 147.4 | -179.7 | -62.1 | -87.3 | 0 | 0 | 0 | 109.9 | F548 Y549 M557 I696 V713 V715 K734 | F548-F736 HydrophobicContact CB-CD1 4.38Å; F548-F736 HydrophobicContact CD1-CB 4.4Å; Y549-F736 CarbonylContact O-C 3.59Å; Y549-F736 WeakPolarHBondContact O-CA 3.47Å; M557-F736 HydrophobicContact CE-CD1 3.87Å; M557-F736 HydrophobicContact CE-CE1 3.45Å; M557-F736 VanDerWaalsContact CE-CE1 3.45Å; M557-F736 HydrophobicContact CE-CZ 3.92Å; I696-F736 HydrophobicContact CD1-CB 4.44Å; I696-F736 HydrophobicContact CG1-CB 4.32Å; I696-F736 WeakPolarHBondContact CG1-O 3.45Å; I696-F736 PolarHBondContact N-O 2.85Å; I696-F736 PolarHBondContact O-N 2.92Å; V713-F736 HydrophobicContact CB-CE2 3.97Å; V713-F736 HydrophobicContact CB-CZ 4.15Å; V713-F736 HydrophobicContact CG1-CE2 3.97Å; V713-F736 HydrophobicContact CG1-CZ 3.62Å; V715-F736 HydrophobicContact CG2-CE1 3.39Å; V715-F736 HydrophobicContact CG2-CZ 3.48Å; V715-F736 VanDerWaalsContact CG2-CZ 3.48Å; K734-F736 VanDerWaalsContact O-CD2 3.31Å; K734-F736 WeakPolarHBondContact O-CD2 3.37Å; K734-F736 WeakPolarHBondContact O-CE2 3.39Å |
| 737 | L | 90 | Very high | 83.5 | Confident | 11 Ų | 11 | 36.8 Ų | 36.8 | 6% | 0.058 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 118.2 | 173.9 | -162.8 | 67 | 0 | 0 | 0 | 110.4 | Y549 R694 L695 Y739 C844 K845 | Y549-L737 PolarHBondContact N-O 2.62Å; Y549-L737 PolarHBondContact O-N 2.88Å; R694-L737 HydrophobicContact CB-CD1 4.04Å; R694-L737 WeakPolarHBondContact O-CD1 3.1Å; L695-L737 HydrophobicContact CD2-CB 4.09Å; L695-L737 HydrophobicContact CD2-CD1 3.9Å; L695-L737 HydrophobicContact CG-CD1 4.49Å; L737-Y739 PolarHBondContact O-N 2.8Å; L737-C844 VanDerWaalsContact CD2-O 3.26Å; L737-C844 WeakPolarHBondContact CD2-O 3.46Å; L737-K845 VanDerWaalsContact CD2-CA 3.48Å |
| 738 | P | 91.5 | Very high | 85 | Confident | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.019 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 103.9 | -177.3 | 31.1 | -32.5 | 0 | 0 | 0 | 111.5 | K539 F540 I546 F548 I696 | K539-P738 HydrophobicContact CD-CB 4.23Å; K539-P738 HydrophobicContact CD-CG 3.77Å; F540-P738 HydrophobicContact CE2-CG 4.31Å; F540-P738 HydrophobicContact CZ-CB 3.84Å; F540-P738 HydrophobicContact CZ-CG 4Å; I546-P738 HydrophobicContact CG2-CB 4.03Å; F548-P738 HydrophobicContact CD1-CB 4.29Å; F548-P738 HydrophobicContact CE1-CB 4.13Å; I696-P738 HydrophobicContact CG1-CG 4.26Å; I696-P738 HydrophobicContact CG2-CG 4.24Å |
| 739 | Y | 89.3 | Confident | 86.4 | Confident | 41 Ų | 41 | 32 Ų | 32 | 16% | 0.161 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 118.7 | 173.4 | 174.8 | -92.9 | 0 | 0 | 0 | 111.1 | I546 I547 Y549 L737 K741 R843 | I546-Y739 CarbonylContact C-O 3.48Å; I546-Y739 WeakPolarHBondContact CA-O 3.44Å; I547-Y739 HydrophobicContact CB-CD1 4.43Å; I547-Y739 HydrophobicContact CD1-CD1 4.4Å; I547-Y739 PolarHBondContact N-O 3.3Å; I547-Y739 PolarHBondContact O-N 3.47Å; Y549-Y739 HydrophobicContact CE2-CD1 4.47Å; Y549-Y739 HydrophobicContact CE2-CG 4.13Å; L737-Y739 PolarHBondContact O-N 2.8Å; Y739-K741 HydrophobicContact CE1-CG 4.06Å; Y739-R843 HydrophobicContact CD2-CB 3.89Å; Y739-R843 HydrophobicContact CD2-CG 3.9Å; Y739-R843 HydrophobicContact CE1-CG 4.48Å; Y739-R843 HydrophobicContact CE2-CB 4.11Å; Y739-R843 HydrophobicContact CE2-CG 3.57Å; Y739-R843 HydrophobicContact CG-CB 4.27Å; Y739-R843 HydrophobicContact CG-CG 4.48Å; Y739-R843 PolarHBondContact OH-NE 2.97Å |
| 740 | V | 88.9 | Confident | 87.4 | Confident | 8 Ų | 8 | 30.5 Ų | 30.5 | 5% | 0.048 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 126.1 | -178.9 | 175.1 | 0 | 0 | 0 | 0 | 111.9 | W538 K539 T544 I546 G742 C743 Y889 | W538-V740 HydrophobicContact CH2-CB 4.44Å; W538-V740 HydrophobicContact CH2-CG2 4.22Å; W538-V740 HydrophobicContact CZ3-CB 4.25Å; W538-V740 HydrophobicContact CZ3-CG1 4.23Å; W538-V740 HydrophobicContact CZ3-CG2 4Å; K539-V740 HydrophobicContact CB-CG2 3.7Å; K539-V740 HydrophobicContact CD-CG2 4.18Å; K539-V740 HydrophobicContact CG-CG2 3.74Å; T544-V740 HydrophobicContact CG2-CG1 3.62Å; T544-V740 HydrophobicContact CG2-CG2 4.12Å; I546-V740 HydrophobicContact CG1-CG2 4.44Å; V740-G742 PolarHBondContact O-N 3.38Å; V740-C743 VanDerWaalsContact CG1-SG 3.54Å; V740-Y889 HydrophobicContact CG1-CE1 4.22Å; V740-Y889 WeakPolarHBondContact CG1-OH 3.48Å |
| 741 | K | 87.1 | Confident | 88.6 | Confident | 73 Ų | 73 | 27.3 Ų | 27.3 | 32% | 0.317 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | 97.3 | 174.4 | -98.8 | -177.9 | 169.4 | 169 | 0 | 111 | K545 I547 V584 Y739 | K545-K741 HydrophobicContact CB-CB 4.19Å; K545-K741 PolarHBondContact O-N 3.33Å; I547-K741 HydrophobicContact CD1-CD 4.06Å; I547-K741 HydrophobicContact CD1-CG 4.45Å; I547-K741 HydrophobicContact CG1-CD 4.42Å; V584-K741 HydrophobicContact CG1-CD 4.06Å; V584-K741 HydrophobicContact CG2-CD 3.66Å; Y739-K741 HydrophobicContact CE1-CG 4.06Å |
| 742 | G | 84.4 | Confident | 89.3 | Confident | 16 Ų | 16 | 24.3 Ų | 24.3 | 17% | 0.165 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 145.4 | -3.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | V740 L744 R745 | V740-G742 PolarHBondContact O-N 3.38Å; G742-L744 PolarHBondContact O-N 2.74Å; G742-R745 WeakPolarHBondContact O-CG 3.27Å; G742-R745 PolarHBondContact O-N 3.4Å; G742-R745 VanDerWaalsContact O-N 3.15Å |
| 743 | C | 86.5 | Confident | 89.7 | Confident | 15 Ų | 15 | 21.6 Ų | 21.6 | 10% | 0.101 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -11.3 | -171.9 | -46 | 0 | 0 | 0 | 0 | 116.1 | V740 T748 L750 P884 V886 | V740-C743 VanDerWaalsContact CG1-SG 3.54Å; C743-T748 WeakPolarHBondContact O-CG2 3.48Å; C743-L750 VanDerWaalsContact O-CD2 3.28Å; C743-L750 WeakPolarHBondContact O-CD2 3.41Å; C743-P884 HydrophobicContact CB-CG 4.4Å; C743-V886 HydrophobicContact CB-CG2 3.52Å |
| 744 | L | 90.6 | Very high | 89.7 | Confident | 17 Ų | 17 | 21.9 Ų | 21.9 | 9% | 0.089 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.9 | 43.9 | 178.3 | -62.9 | 175.9 | 0 | 0 | 0 | 111.6 | G742 L750 V798 R806 F808 I839 L848 | G742-L744 PolarHBondContact O-N 2.74Å; L744-L750 HydrophobicContact CD2-CD2 3.81Å; L744-V798 HydrophobicContact CB-CG1 4.28Å; L744-V798 HydrophobicContact CD2-CB 4.45Å; L744-V798 HydrophobicContact CD2-CG1 3.86Å; L744-V798 HydrophobicContact CD2-CG2 3.71Å; L744-R806 PolarHBondContact O-NE 3.05Å; L744-R806 PolarHBondContact O-NH2 3.02Å; L744-F808 HydrophobicContact CD2-CE1 4.02Å; L744-F808 HydrophobicContact CD2-CZ 4.34Å; L744-I839 HydrophobicContact CD1-CB 4.42Å; L744-I839 HydrophobicContact CD1-CG1 4.2Å; L744-I839 HydrophobicContact CD1-CG2 3.69Å; L744-L848 HydrophobicContact CD1-CD2 3.91Å |
| 745 | R | 89.4 | Confident | 89.2 | Confident | 85 Ų | 85 | 26.3 Ų | 26.3 | 32% | 0.321 | 13% | 0.126 | S | C | . | . | S | Bend | trans | -73.5 | 161.9 | 161.2 | -75.2 | 177.1 | -167.8 | 167.2 | 6.3 | 110.2 | G742 T748 G890 F891 | G742-R745 WeakPolarHBondContact O-CG 3.27Å; G742-R745 PolarHBondContact O-N 3.4Å; G742-R745 VanDerWaalsContact O-N 3.15Å; R745-T748 WeakPolarHBondContact CB-OG1 3.31Å; R745-T748 PolarHBondContact N-OG1 2.9Å; R745-T748 WeakPolarHBondContact O-CB 3.37Å; R745-T748 PolarHBondContact O-N 2.85Å; R745-T748 PolarHBondContact O-OG1 2.78Å; R745-G890 WeakPolarHBondContact CD-O 3.26Å; R745-F891 WeakPolarHBondContact CB-O 3.34Å |
| 746 | D | 91.6 | Very high | 88.3 | Confident | 50 Ų | 50 | 28.1 Ų | 28.1 | 27% | 0.267 | 14% | 0.135 | S | C | . | . | B | Isolated β-bridge | trans | -65.7 | 139.7 | 174.7 | -163.4 | 67.1 | 0 | 0 | 0 | 111.5 | T748 H799 K800 G890 F891 | D746-T748 VanDerWaalsContact C-N 3.27Å; D746-T748 PolarHBondContact O-N 2.73Å; D746-H799 WeakPolarHBondContact OD1-CA 3.5Å; D746-K800 HydrophobicContact CB-CB 3.85Å; D746-K800 PolarHBondContact OD1-N 2.86Å; D746-G890 CarbonylContact O-C 3.59Å; D746-G890 WeakPolarHBondContact O-CA 3.39Å; D746-F891 PolarHBondContact O-N 2.79Å |
| 747 | Q | 92 | Very high | 87.2 | Confident | 53 Ų | 53 | 31.8 Ų | 31.8 | 25% | 0.248 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | 23.6 | -171.6 | -46.7 | -55 | -59.9 | 0 | 0 | 115.1 | R797 V798 F891 | Q747-R797 VanDerWaalsContact OE1-NH1 3.15Å; Q747-V798 PolarHBondContact N-O 2.84Å; Q747-F891 HydrophobicContact CB-CD2 3.97Å; Q747-F891 HydrophobicContact CB-CE2 4.08Å; Q747-F891 HydrophobicContact CG-CD2 3.73Å; Q747-F891 HydrophobicContact CG-CE2 3.77Å |
| 748 | T | 92.7 | Very high | 86.7 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 134.1 | 170.8 | -52.6 | 0 | 0 | 0 | 0 | 109.8 | C743 R745 D746 L750 R797 V798 V886 K888 G890 | C743-T748 WeakPolarHBondContact O-CG2 3.48Å; R745-T748 WeakPolarHBondContact CB-OG1 3.31Å; R745-T748 PolarHBondContact N-OG1 2.9Å; R745-T748 WeakPolarHBondContact O-CB 3.37Å; R745-T748 PolarHBondContact O-N 2.85Å; R745-T748 PolarHBondContact O-OG1 2.78Å; D746-T748 VanDerWaalsContact C-N 3.27Å; D746-T748 PolarHBondContact O-N 2.73Å; T748-L750 HydrophobicContact CG2-CD2 4.46Å; T748-R797 CarbonylContact O-C 3.5Å; T748-R797 WeakPolarHBondContact O-CA 3.48Å; T748-V798 WeakPolarHBondContact O-CG2 3.38Å; T748-V798 PolarHBondContact O-N 2.86Å; T748-V886 HydrophobicContact CG2-CG1 3.88Å; T748-V886 HydrophobicContact CG2-CG2 4.42Å; T748-K888 WeakPolarHBondContact CA-O 3.43Å; T748-K888 WeakPolarHBondContact CG2-O 3.31Å; T748-G890 PolarHBondContact OG1-N 3.14Å; T748-G890 VanDerWaalsContact OG1-N 3.13Å |
| 749 | I | 93 | Very high | 86.5 | Confident | 32 Ų | 32 | 32 Ų | 32 | 16% | 0.164 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 129 | 172 | -55.8 | 175.5 | 0 | 0 | 0 | 108.9 | Y795 W796 R797 V811 I887 K888 | I749-Y795 HydrophobicContact CG2-CD2 4.29Å; I749-Y795 HydrophobicContact CG2-CG 4.03Å; I749-W796 WeakPolarHBondContact CA-O 3.44Å; I749-R797 HydrophobicContact CG1-CG 4.37Å; I749-V811 HydrophobicContact CG2-CG2 4.22Å; I749-I887 HydrophobicContact CG2-CB 4.36Å; I749-I887 PolarHBondContact O-N 2.86Å; I749-K888 HydrophobicContact CB-CB 4.24Å; I749-K888 HydrophobicContact CD1-CD 4.37Å; I749-K888 PolarHBondContact N-O 2.84Å; I749-K888 PolarHBondContact O-N 3.44Å; I749-K888 VanDerWaalsContact O-N 3.13Å |
| 750 | L | 93.8 | Very high | 86.5 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 162 | -175.6 | 56.6 | 81.6 | 0 | 0 | 0 | 112.6 | C743 L744 T748 L752 W796 V798 P884 E885 | C743-L750 VanDerWaalsContact O-CD2 3.28Å; C743-L750 WeakPolarHBondContact O-CD2 3.41Å; L744-L750 HydrophobicContact CD2-CD2 3.81Å; T748-L750 HydrophobicContact CG2-CD2 4.46Å; L750-L752 HydrophobicContact CD1-CD2 3.7Å; L750-L752 HydrophobicContact CD1-CG 3.59Å; L750-W796 HydrophobicContact CD1-CB 4.2Å; L750-W796 PolarHBondContact N-O 2.94Å; L750-W796 PolarHBondContact O-N 2.98Å; L750-V798 HydrophobicContact CD2-CG2 3.46Å; L750-V798 VanDerWaalsContact CD2-CG2 3.46Å; L750-V798 HydrophobicContact CG-CG2 3.93Å; L750-P884 HydrophobicContact CD1-CB 4.49Å; L750-P884 HydrophobicContact CD2-CB 4.07Å; L750-E885 CarbonylContact C-O 3.56Å; L750-E885 WeakPolarHBondContact CA-O 3.5Å; L750-E885 WeakPolarHBondContact CB-O 3.25Å |
| 751 | W | 92.1 | Very high | 86.5 | Confident | 31 Ų | 31 | 30.7 Ų | 30.7 | 12% | 0.117 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 144.2 | 155.6 | -69.7 | -57.9 | 0 | 0 | 0 | 109.9 | C753 T759 R790 T791 Y795 P884 E885 I887 | W751-C753 VanDerWaalsContact CB-SG 3.56Å; W751-T759 HydrophobicContact CB-CG2 4.3Å; W751-T759 HydrophobicContact CG-CG2 4.27Å; W751-R790 HydrophobicContact CD2-CG 4.41Å; W751-R790 HydrophobicContact CE3-CG 4.32Å; W751-R790 HydrophobicContact CH2-CB 3.83Å; W751-R790 HydrophobicContact CH2-CG 4.29Å; W751-R790 HydrophobicContact CZ2-CB 3.68Å; W751-R790 HydrophobicContact CZ2-CG 4.33Å; W751-R790 VanDerWaalsContact CZ2-O 3.29Å; W751-R790 WeakPolarHBondContact CZ2-O 3.47Å; W751-R790 HydrophobicContact CZ3-CB 4.32Å; W751-R790 HydrophobicContact CZ3-CG 4.27Å; W751-T791 PolarHBondContact NE1-O 2.76Å; W751-Y795 AromaticContact CD1-CD1 3.88Å; W751-Y795 HydrophobicContact CD2-CE1 4.33Å; W751-Y795 AromaticContact CE2-CD1 3.95Å; W751-Y795 AromaticContact CE2-CE1 3.52Å; W751-Y795 HydrophobicContact CH2-CE1 4.49Å; W751-Y795 HydrophobicContact CZ2-CD1 4.46Å; W751-Y795 AromaticContact CZ2-CE1 3.61Å; W751-Y795 HydrophobicContact CZ2-CE1 3.61Å; W751-Y795 AromaticContact NE1-CD1 3.46Å; W751-Y795 AromaticContact NE1-CE1 3.5Å; W751-P884 WeakPolarHBondContact O-CA 3.32Å; W751-E885 HydrophobicContact CE3-CB 4.25Å; W751-E885 HydrophobicContact CE3-CG 3.89Å; W751-E885 HydrophobicContact CZ3-CG 4.31Å; W751-E885 PolarHBondContact N-O 2.9Å; W751-E885 PolarHBondContact O-N 3.13Å; W751-E885 VanDerWaalsContact O-N 3.08Å; W751-I887 HydrophobicContact CD2-CD1 4.02Å; W751-I887 HydrophobicContact CE3-CD1 3.7Å; W751-I887 HydrophobicContact CH2-CD1 3.94Å; W751-I887 HydrophobicContact CZ2-CD1 4.26Å; W751-I887 HydrophobicContact CZ3-CD1 3.65Å |
| 752 | L | 91.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.136 | C | C | . | . | trans | -99.2 | 111.2 | 166.8 | -75.8 | 174.3 | 0 | 0 | 0 | 107.9 | L750 T759 L760 W796 F808 L850 M862 F882 | L750-L752 HydrophobicContact CD1-CD2 3.7Å; L750-L752 HydrophobicContact CD1-CG 3.59Å; L752-T759 WeakPolarHBondContact O-CA 3.25Å; L752-L760 HydrophobicContact CB-CB 3.85Å; L752-L760 HydrophobicContact CB-CD2 3.98Å; L752-L760 HydrophobicContact CD1-CD2 3.55Å; L752-L760 HydrophobicContact CG-CD2 4.4Å; L752-L760 WeakPolarHBondContact O-CB 3.43Å; L752-L760 PolarHBondContact O-N 3.23Å; L752-W796 HydrophobicContact CD1-CB 4.49Å; L752-W796 HydrophobicContact CD1-CG 4.15Å; L752-F808 HydrophobicContact CD1-CD1 3.98Å; L752-F808 HydrophobicContact CD1-CE1 4.16Å; L752-F808 HydrophobicContact CD1-CG 4.3Å; L752-F808 HydrophobicContact CD2-CE1 4.28Å; L752-L850 HydrophobicContact CD1-CD1 4.2Å; L752-M862 WeakPolarHBondContact O-CE 3.16Å; L752-F882 HydrophobicContact CB-CD1 3.76Å; L752-F882 HydrophobicContact CB-CE1 3.89Å; L752-F882 HydrophobicContact CD2-CD1 4.02Å; L752-F882 HydrophobicContact CG-CD1 4.38Å | ||
| 753 | C | 88.3 | Confident | 86 | Confident | 2 Ų | 2 | 29.2 Ų | 29.2 | 1% | 0.014 | 14% | 0.142 | C | C | . | . | trans | -127.1 | 134.1 | -174 | -49.7 | 0 | 0 | 0 | 0 | 110.7 | W751 Q758 T759 F882 Y883 | W751-C753 VanDerWaalsContact CB-SG 3.56Å; C753-Q758 WeakPolarHBondContact CA-O 3.33Å; C753-Q758 WeakPolarHBondContact CB-O 3.33Å; C753-T759 PolarHBondContact SG-OG1 2.74Å; C753-F882 CarbonylContact O-C 3.55Å; C753-F882 WeakPolarHBondContact O-CA 3.17Å; C753-Y883 PolarHBondContact O-N 3.11Å | ||
| 754 | T | 84.6 | Confident | 85.3 | Confident | 8 Ų | 8 | 31.4 Ų | 31.4 | 5% | 0.049 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -83.9 | -45.2 | 167.2 | 36.7 | 0 | 0 | 0 | 0 | 111 | Q758 M862 N879 Y883 | T754-Q758 WeakPolarHBondContact OG1-CB 3.28Å; T754-Q758 PolarHBondContact OG1-OE1 2.76Å; T754-M862 HydrophobicContact CG2-CB 4.09Å; T754-M862 HydrophobicContact CG2-CE 4.08Å; T754-M862 HydrophobicContact CG2-CG 3.93Å; T754-M862 HydrophobicContact CG2-SD 4.05Å; T754-M862 PolarHBondContact OG1-SD 2.7Å; T754-M862 VanDerWaalsContact OG1-SD 3.35Å; T754-N879 WeakPolarHBondContact CG2-O 3.02Å; T754-Y883 WeakPolarHBondContact O-CD2 3.32Å; T754-Y883 VanDerWaalsContact O-CE2 3.3Å; T754-Y883 WeakPolarHBondContact O-CE2 3.41Å |
| 755 | E | 74.9 | Confident | 84 | Confident | 93 Ų | 93 | 33.9 Ų | 33.9 | 44% | 0.435 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -115.2 | -176.6 | 178.9 | -70.8 | -154.6 | 152.6 | 0 | 0 | 113.5 | R694 Q757 Q758 | R694-E755 PolarHBondContact NH2-O 3.06Å; E755-Q757 VanDerWaalsContact C-N 3.25Å; E755-Q758 HydrophobicContact CB-CB 4.07Å |
| 756 | I | 70.6 | Confident | 82.1 | Confident | 52 Ų | 52 | 35.8 Ų | 35.8 | 27% | 0.267 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -61.5 | -36 | 164.4 | -71.2 | 172 | 0 | 0 | 0 | 111 | F532 V535 R790 | F532-I756 HydrophobicContact CD1-CD1 3.7Å; F532-I756 HydrophobicContact CE1-CD1 3.78Å; V535-I756 HydrophobicContact CG1-CG1 4.4Å; V535-I756 HydrophobicContact CG2-CG1 4.31Å; V535-I756 HydrophobicContact CG2-CG2 3.75Å; I756-R790 VanDerWaalsContact C-NH2 3.32Å; I756-R790 VanDerWaalsContact O-CZ 3.22Å; I756-R790 PolarHBondContact O-NE 3.17Å; I756-R790 VanDerWaalsContact O-NE 3.15Å; I756-R790 PolarHBondContact O-NH2 2.95Å |
| 757 | Q | 68.5 | Low | 79.9 | Confident | 77 Ų | 77 | 39.1 Ų | 39.1 | 36% | 0.36 | 19% | 0.191 | S | C | . | . | S | Bend | trans | -113.8 | 2.9 | -174.5 | -59.2 | -152.4 | 26.5 | 0 | 0 | 115.3 | L346 E755 G788 R790 | L346-Q757 VanDerWaalsContact CD1-OE1 3.28Å; L346-Q757 HydrophobicContact CD2-CB 4.17Å; L346-Q757 HydrophobicContact CD2-CG 4.04Å; E755-Q757 VanDerWaalsContact C-N 3.25Å; Q757-G788 WeakPolarHBondContact O-CA 3.5Å; Q757-R790 VanDerWaalsContact C-CZ 3.42Å; Q757-R790 PolarHBondContact O-NH1 2.67Å |
| 758 | Q | 79 | Confident | 77.3 | Confident | 20 Ų | 20 | 43 Ų | 43 | 9% | 0.093 | 22% | 0.219 | C | C | . | . | trans | -113.8 | 132.2 | 175.6 | -160 | -177.5 | 40.4 | 0 | 0 | 111.5 | C753 T754 E755 A786 R790 M862 N863 | C753-Q758 WeakPolarHBondContact CA-O 3.33Å; C753-Q758 WeakPolarHBondContact CB-O 3.33Å; T754-Q758 WeakPolarHBondContact OG1-CB 3.28Å; T754-Q758 PolarHBondContact OG1-OE1 2.76Å; E755-Q758 HydrophobicContact CB-CB 4.07Å; Q758-A786 HydrophobicContact CG-CB 3.78Å; Q758-R790 VanDerWaalsContact C-NH2 3.29Å; Q758-R790 PolarHBondContact O-NH2 2.95Å; Q758-M862 HydrophobicContact CG-SD 3.77Å; Q758-N863 PolarHBondContact NE2-O 3.27Å | ||
| 759 | T | 87.4 | Confident | 74.7 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 145.9 | -175.2 | -75.9 | 0 | 0 | 0 | 0 | 112 | W751 L752 C753 L761 A786 T787 R790 A794 | W751-T759 HydrophobicContact CB-CG2 4.3Å; W751-T759 HydrophobicContact CG-CG2 4.27Å; L752-T759 WeakPolarHBondContact O-CA 3.25Å; C753-T759 PolarHBondContact SG-OG1 2.74Å; T759-L761 PolarHBondContact O-N 3.49Å; T759-A786 CarbonylContact O-C 3.56Å; T759-A786 WeakPolarHBondContact O-CA 3.37Å; T759-T787 PolarHBondContact N-O 3.4Å; T759-T787 PolarHBondContact O-N 2.65Å; T759-R790 PolarHBondContact OG1-NH1 2.91Å; T759-R790 PolarHBondContact OG1-NH2 2.9Å; T759-A794 HydrophobicContact CG2-CB 3.61Å |
| 760 | L | 90.5 | Very high | 72.3 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 107.1 | 179.9 | -160.8 | 77 | 0 | 0 | 0 | 112.6 | L752 L784 A794 W796 L818 M862 I868 F882 | L752-L760 HydrophobicContact CB-CB 3.85Å; L752-L760 HydrophobicContact CB-CD2 3.98Å; L752-L760 HydrophobicContact CD1-CD2 3.55Å; L752-L760 HydrophobicContact CG-CD2 4.4Å; L752-L760 WeakPolarHBondContact O-CB 3.43Å; L752-L760 PolarHBondContact O-N 3.23Å; L760-L784 HydrophobicContact CD1-CD2 3.68Å; L760-L784 HydrophobicContact CG-CD2 3.7Å; L760-A794 WeakPolarHBondContact O-CB 3.31Å; L760-W796 HydrophobicContact CD2-CD2 4.42Å; L760-W796 HydrophobicContact CD2-CZ2 3.75Å; L760-W796 HydrophobicContact CG-CZ2 4Å; L760-W796 PolarHBondContact O-NE1 3Å; L760-L818 HydrophobicContact CD2-CD1 4.48Å; L760-L818 HydrophobicContact CD2-CD2 4.37Å; L760-M862 HydrophobicContact CB-CE 3.77Å; L760-M862 HydrophobicContact CD1-CE 3.95Å; L760-M862 HydrophobicContact CG-CE 4.49Å; L760-I868 HydrophobicContact CD1-CD1 3.46Å; L760-I868 VanDerWaalsContact CD1-CD1 3.46Å; L760-F882 HydrophobicContact CD1-CE1 4.46Å |
| 761 | L | 87.4 | Confident | 69.7 | Low | 19 Ų | 19 | 59.6 Ų | 59.6 | 10% | 0.099 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 129.3 | -178.2 | 179.6 | 69.4 | 0 | 0 | 0 | 112.4 | T759 V763 R785 T787 E793 A794 | T759-L761 PolarHBondContact O-N 3.49Å; L761-V763 HydrophobicContact CD2-CG2 3.99Å; L761-V763 HydrophobicContact CG-CG2 4.12Å; L761-R785 PolarHBondContact N-O 3.3Å; L761-R785 PolarHBondContact O-N 2.95Å; L761-T787 HydrophobicContact CB-CG2 4.07Å; L761-T787 WeakPolarHBondContact CB-OG1 3.48Å; L761-T787 HydrophobicContact CD2-CG2 3.71Å; L761-E793 HydrophobicContact CD1-CB 3.7Å; L761-A794 HydrophobicContact CB-CB 4.3Å; L761-A794 HydrophobicContact CD1-CB 3.82Å |
| 762 | P | 84.2 | Confident | 66.8 | Low | 8 Ų | 8 | 66.7 Ų | 66.7 | 5% | 0.052 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 130.7 | 163 | -15.2 | 30.7 | 0 | 0 | 0 | 111.3 | W796 V827 | P762-W796 HydrophobicContact CG-CH2 4.11Å; P762-W796 HydrophobicContact CG-CZ2 3.88Å; P762-V827 HydrophobicContact CB-CB 4.42Å; P762-V827 HydrophobicContact CB-CG1 4.43Å; P762-V827 HydrophobicContact CB-CG2 3.89Å; P762-V827 HydrophobicContact CG-CG1 4.28Å; P762-V827 HydrophobicContact CG-CG2 4.09Å |
| 763 | V | 78.4 | Confident | 64 | Low | 51 Ų | 51 | 71.5 Ų | 71.5 | 31% | 0.309 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 139.8 | 179.7 | 179.7 | 0 | 0 | 0 | 0 | 109.8 | L761 F782 D783 R785 | L761-V763 HydrophobicContact CD2-CG2 3.99Å; L761-V763 HydrophobicContact CG-CG2 4.12Å; V763-F782 WeakPolarHBondContact O-CA 3.33Å; V763-D783 PolarHBondContact N-O 2.8Å; V763-D783 PolarHBondContact O-N 3.02Å; V763-R785 HydrophobicContact CG2-CB 3.97Å; V763-R785 HydrophobicContact CG2-CG 4.21Å |
| 764 | I | 70.4 | Confident | 61.4 | Low | 61 Ų | 61 | 79.3 Ų | 79.3 | 31% | 0.313 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 131.6 | 173.2 | -64.5 | 171.8 | 0 | 0 | 0 | 109.4 | C780 F782 W813 | I764-C780 HydrophobicContact CG2-CB 4.16Å; I764-F782 HydrophobicContact CD1-CE1 4.11Å; I764-F782 HydrophobicContact CD1-CZ 4.34Å; I764-F782 HydrophobicContact CG1-CD1 4Å; I764-F782 HydrophobicContact CG1-CE1 3.51Å; I764-F782 HydrophobicContact CG1-CZ 4.05Å; I764-W813 HydrophobicContact CD1-CH2 3.95Å; I764-W813 HydrophobicContact CD1-CZ2 3.73Å; I764-W813 HydrophobicContact CG1-CZ2 4.48Å |
| 765 | I | 64.3 | Low | 59.1 | Low | 69 Ų | 69 | 85.1 Ų | 85.1 | 35% | 0.354 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 129 | 164 | -62.6 | -174.5 | 0 | 0 | 0 | 108.6 | K781 D783 | I765-K781 PolarHBondContact N-O 3.12Å; I765-K781 PolarHBondContact O-N 2.93Å; I765-K781 VanDerWaalsContact O-N 3.16Å; I765-D783 HydrophobicContact CD1-CB 3.61Å; I765-D783 WeakPolarHBondContact CD1-OD2 3.35Å; I765-D783 HydrophobicContact CG1-CB 3.96Å |
| 766 | H | 48.7 | Very low | 57.2 | Low | 124 Ų | 124 | 88 Ų | 88 | 57% | 0.574 | 47% | 0.474 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 121.8 | 168.5 | -63.1 | -72.7 | 0 | 0 | 0 | 109.3 | T768 | H766-T768 PolarHBondContact O-N 3.42Å |
| 767 | E | 46.1 | Very low | 55.7 | Low | 121 Ų | 121 | 91.8 Ų | 91.8 | 57% | 0.565 | 49% | 0.493 | S | S | * | . | trans | -81.4 | 105 | 173.5 | -68.8 | -177.2 | 175.5 | 0 | 0 | 109.9 | N769 | E767-N769 PolarHBondContact O-N 2.97Š| ||
| 768 | T | 36.9 | Very low | 54.4 | Low | 134 Ų | 134 | 94 Ų | 94 | 82% | 0.822 | 51% | 0.507 | S | S | * | . | trans | -80.1 | 98 | 173.5 | 53.4 | 0 | 0 | 0 | 0 | 110.1 | H766 | H766-T768 PolarHBondContact O-N 3.42Š| ||
| 769 | N | 38.8 | Very low | 52.7 | Low | 141 Ų | 141 | 99.6 Ų | 99.6 | 75% | 0.754 | 53% | 0.533 | S | S | * | . | trans | -61.7 | 143.4 | 166.6 | -89.8 | -47.3 | 0 | 0 | 0 | 110.4 | E767 N771 | E767-N769 PolarHBondContact O-N 2.97Å; N769-N771 PolarHBondContact O-N 2.92Å | ||
| 770 | S | 42.7 | Very low | 50.7 | Low | 117 Ų | 117 | 101.6 Ų | 101.6 | 82% | 0.818 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -73.6 | 15.4 | -171.2 | 49.9 | 0 | 0 | 0 | 0 | 115.8 | ||
| 771 | N | 37.6 | Very low | 49.2 | Very low | 122 Ų | 122 | 107.7 Ų | 107.7 | 65% | 0.652 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -125.9 | 128.8 | 177.2 | -68.5 | -47.5 | 0 | 0 | 0 | 109.3 | N769 S773 | N769-N771 PolarHBondContact O-N 2.92Å; N771-S773 VanDerWaalsContact C-N 3.34Å; N771-S773 PolarHBondContact O-N 3.45Å |
| 772 | N | 32.3 | Very low | 48.1 | Very low | 180 Ų | 180 | 108.1 Ų | 108.1 | 96% | 0.963 | 57% | 0.574 | S | S | * | * | trans | -73.5 | 77.2 | -175.7 | -72.8 | -14.7 | 0 | 0 | 0 | 112.7 | ||||
| 773 | S | 31.8 | Very low | 47.5 | Very low | 101 Ų | 101 | 109.8 Ų | 109.8 | 71% | 0.706 | 58% | 0.582 | S | S | * | * | trans | -146.5 | 126.3 | 169.7 | 50.2 | 0 | 0 | 0 | 0 | 113.5 | N771 | N771-S773 VanDerWaalsContact C-N 3.34Å; N771-S773 PolarHBondContact O-N 3.45Å | ||
| 774 | E | 33.7 | Very low | 47.7 | Very low | 167 Ų | 167 | 107.4 Ų | 107.4 | 78% | 0.78 | 57% | 0.568 | S | S | * | * | trans | 30 | 109.1 | 166.9 | -61.6 | -171.5 | 140.7 | 0 | 0 | 119 | K776 | E774-K776 PolarHBondContact O-N 3.47Š| ||
| 775 | V | 36.6 | Very low | 48.3 | Very low | 129 Ų | 129 | 108.5 Ų | 108.5 | 78% | 0.782 | 57% | 0.568 | S | S | * | * | trans | -65.7 | 92.2 | 172.6 | -176.4 | 0 | 0 | 0 | 0 | 111.2 | I777 | V775-I777 PolarHBondContact O-N 2.89Š| ||
| 776 | K | 34.6 | Very low | 48.9 | Very low | 155 Ų | 155 | 105.6 Ų | 105.6 | 67% | 0.674 | 56% | 0.555 | S | S | * | * | trans | -76.1 | 106 | 170.7 | -70.7 | -177.9 | -179.3 | 176.1 | 0 | 110 | E774 N778 | E774-K776 PolarHBondContact O-N 3.47Å; K776-N778 PolarHBondContact O-N 3.21Å | ||
| 777 | I | 40.4 | Very low | 49.8 | Very low | 131 Ų | 131 | 101.3 Ų | 101.3 | 67% | 0.672 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -50.4 | -24.1 | -175.1 | -62.3 | 169.6 | 0 | 0 | 0 | 113.9 | V775 H779 C780 | V775-I777 PolarHBondContact O-N 2.89Å; I777-H779 PolarHBondContact O-N 3.22Å; I777-C780 PolarHBondContact O-N 3.44Å; I777-C780 PolarHBondContact O-SG 2.86Å |
| 778 | N | 40.4 | Very low | 50.4 | Low | 124 Ų | 124 | 97.9 Ų | 97.9 | 66% | 0.663 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -65.6 | -2.2 | -173.5 | -62.4 | 17.8 | 0 | 0 | 0 | 116.1 | K776 | K776-N778 PolarHBondContact O-N 3.21Š|
| 779 | H | 43.5 | Very low | 51.8 | Low | 136 Ų | 136 | 97.9 Ų | 97.9 | 63% | 0.63 | 53% | 0.525 | S | S | * | . | G | 310 helix | trans | -121.9 | 40.8 | 178.6 | -70.9 | 76.3 | 0 | 0 | 0 | 113.2 | I777 | I777-H779 PolarHBondContact O-N 3.22Š|
| 780 | C | 45.4 | Very low | 53.6 | Low | 43 Ų | 43 | 94.8 Ų | 94.8 | 29% | 0.291 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 124.7 | 170.2 | -62.8 | 0 | 0 | 0 | 0 | 110.6 | I764 I777 | I764-C780 HydrophobicContact CG2-CB 4.16Å; I777-C780 PolarHBondContact O-N 3.44Å; I777-C780 PolarHBondContact O-SG 2.86Å |
| 781 | K | 58.6 | Low | 55.4 | Low | 128 Ų | 128 | 90.6 Ų | 90.6 | 56% | 0.557 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 131 | 176.8 | -174.5 | 175.3 | 179.2 | -179.4 | 0 | 110.3 | I765 | I765-K781 PolarHBondContact N-O 3.12Å; I765-K781 PolarHBondContact O-N 2.93Å; I765-K781 VanDerWaalsContact O-N 3.16Å |
| 782 | F | 65.2 | Low | 57.6 | Low | 29 Ų | 29 | 89.2 Ų | 89.2 | 13% | 0.127 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 121.4 | 172.7 | -70.7 | -89.3 | 0 | 0 | 0 | 110.5 | V763 I764 W813 M828 | V763-F782 WeakPolarHBondContact O-CA 3.33Å; I764-F782 HydrophobicContact CD1-CE1 4.11Å; I764-F782 HydrophobicContact CD1-CZ 4.34Å; I764-F782 HydrophobicContact CG1-CD1 4Å; I764-F782 HydrophobicContact CG1-CE1 3.51Å; I764-F782 HydrophobicContact CG1-CZ 4.05Å; F782-W813 AromaticContact CE1-CD1 3.75Å; F782-W813 AromaticContact CE1-CD2 3.67Å; F782-W813 HydrophobicContact CE1-CD2 3.67Å; F782-W813 AromaticContact CE1-CE2 3.56Å; F782-W813 HydrophobicContact CE1-CE3 4.3Å; F782-W813 AromaticContact CE1-CG 3.85Å; F782-W813 HydrophobicContact CE1-CG 3.85Å; F782-W813 HydrophobicContact CE1-CZ2 4.13Å; F782-W813 AromaticContact CE1-NE1 3.57Å; F782-W813 AromaticContact CZ-CD2 3.75Å; F782-W813 HydrophobicContact CZ-CD2 3.75Å; F782-W813 AromaticContact CZ-CE3 3.91Å; F782-W813 HydrophobicContact CZ-CE3 3.91Å; F782-W813 HydrophobicContact CZ-CG 4.16Å; F782-W813 HydrophobicContact CZ-CZ2 4.41Å; F782-W813 HydrophobicContact CZ-CZ3 4.3Å; F782-M828 HydrophobicContact CB-CG 4.44Å; F782-M828 HydrophobicContact CB-SD 3.93Å; F782-M828 HydrophobicContact CD2-SD 3.53Å; F782-M828 VanDerWaalsContact CD2-SD 3.53Å; F782-M828 HydrophobicContact CG-SD 4.14Å |
| 783 | D | 72.1 | Confident | 60.1 | Low | 42 Ų | 42 | 85.6 Ų | 85.6 | 23% | 0.225 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 166.6 | 169.3 | -163.1 | -6.7 | 0 | 0 | 0 | 109.3 | V763 I765 R785 | V763-D783 PolarHBondContact N-O 2.8Å; V763-D783 PolarHBondContact O-N 3.02Å; I765-D783 HydrophobicContact CD1-CB 3.61Å; I765-D783 WeakPolarHBondContact CD1-OD2 3.35Å; I765-D783 HydrophobicContact CG1-CB 3.96Å; D783-R785 IonicContact OD1-CZ 3.4Å; D783-R785 IonicContact OD1-NH1 3.14Å; D783-R785 PolarHBondContact OD1-NH1 3.11Å; D783-R785 IonicContact OD2-CZ 2.91Å; D783-R785 IonicContact OD2-NH1 2.71Å; D783-R785 PolarHBondContact OD2-NH1 3.48Å; D783-R785 IonicContact OD2-NH2 3.97Å; D783-R785 PolarHBondContact OD2-NH2 3.05Å |
| 784 | L | 81.5 | Confident | 62.8 | Low | 2 Ų | 2 | 80.8 Ų | 80.8 | 1% | 0.01 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 120.8 | -177.5 | -125.2 | 171.9 | 0 | 0 | 0 | 109.2 | L760 W796 L818 V825 V827 I868 | L760-L784 HydrophobicContact CD1-CD2 3.68Å; L760-L784 HydrophobicContact CG-CD2 3.7Å; L784-W796 HydrophobicContact CD2-CZ2 4.35Å; L784-L818 HydrophobicContact CD1-CD1 3.41Å; L784-L818 VanDerWaalsContact CD1-CD1 3.41Å; L784-V825 HydrophobicContact CD1-CG1 4.13Å; L784-V827 HydrophobicContact CD1-CG2 3.59Å; L784-V827 HydrophobicContact CD2-CG2 4.4Å; L784-V827 HydrophobicContact CG-CG2 3.53Å; L784-I868 HydrophobicContact CB-CD1 3.94Å; L784-I868 HydrophobicContact CD2-CD1 3.56Å; L784-I868 HydrophobicContact CG-CD1 4.24Å |
| 785 | R | 82.6 | Confident | 65.6 | Low | 83 Ų | 83 | 75.3 Ų | 75.3 | 31% | 0.313 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 146.6 | -178.2 | -74.2 | -68 | -178.2 | -78.2 | -11.1 | 112.5 | L761 V763 D783 T787 G866 | L761-R785 PolarHBondContact N-O 3.3Å; L761-R785 PolarHBondContact O-N 2.95Å; V763-R785 HydrophobicContact CG2-CB 3.97Å; V763-R785 HydrophobicContact CG2-CG 4.21Å; D783-R785 IonicContact OD1-CZ 3.4Å; D783-R785 IonicContact OD1-NH1 3.14Å; D783-R785 PolarHBondContact OD1-NH1 3.11Å; D783-R785 IonicContact OD2-CZ 2.91Å; D783-R785 IonicContact OD2-NH1 2.71Å; D783-R785 PolarHBondContact OD2-NH1 3.48Å; D783-R785 IonicContact OD2-NH2 3.97Å; D783-R785 PolarHBondContact OD2-NH2 3.05Å; R785-T787 HydrophobicContact CB-CG2 3.93Å; R785-G866 CarbonylContact C-O 3.58Å; R785-G866 WeakPolarHBondContact CA-O 3.41Å; R785-G866 WeakPolarHBondContact CD-O 3.32Å |
| 786 | A | 77.9 | Confident | 68.3 | Low | 9 Ų | 9 | 69.2 Ų | 69.2 | 7% | 0.074 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 89.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | Q758 T759 M862 G866 I868 | Q758-A786 HydrophobicContact CG-CB 3.78Å; T759-A786 CarbonylContact O-C 3.56Å; T759-A786 WeakPolarHBondContact O-CA 3.37Å; A786-M862 HydrophobicContact CB-CB 3.57Å; A786-M862 HydrophobicContact CB-CG 3.66Å; A786-M862 HydrophobicContact CB-SD 3.46Å; A786-M862 WeakPolarHBondContact CB-SD 3.46Å; A786-G866 PolarHBondContact N-O 2.95Å; A786-I868 HydrophobicContact CB-CG1 4.4Å |
| 787 | T | 67.8 | Low | 71.2 | Confident | 34 Ų | 34 | 65.3 Ų | 65.3 | 21% | 0.209 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 157.2 | -164.6 | 56 | 0 | 0 | 0 | 0 | 115.2 | T759 L761 R785 R790 | T759-T787 PolarHBondContact N-O 3.4Å; T759-T787 PolarHBondContact O-N 2.65Å; L761-T787 HydrophobicContact CB-CG2 4.07Å; L761-T787 WeakPolarHBondContact CB-OG1 3.48Å; L761-T787 HydrophobicContact CD2-CG2 3.71Å; R785-T787 HydrophobicContact CB-CG2 3.93Å; T787-R790 PolarHBondContact O-NH1 2.9Å |
| 788 | G | 59.2 | Low | 73.8 | Confident | 48 Ų | 48 | 59.1 Ų | 59.1 | 50% | 0.495 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -59.6 | -39.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q757 R790 | Q757-G788 WeakPolarHBondContact O-CA 3.5Å; G788-R790 PolarHBondContact O-NH1 3.05Å |
| 789 | E | 64.6 | Low | 76.4 | Confident | 135 Ų | 135 | 54.5 Ų | 54.5 | 63% | 0.631 | 27% | 0.271 | S | S | * | . | trans | -87.4 | 155.8 | -165.9 | -58.6 | -157.5 | 157.4 | 0 | 0 | 114.5 | T791 | E789-T791 HydrophobicContact CB-CG2 3.89Š| ||
| 790 | R | 77.3 | Confident | 78.7 | Confident | 75 Ų | 75 | 53 Ų | 53 | 28% | 0.283 | 26% | 0.263 | S | S | . | . | trans | -109.5 | 60.8 | 179.1 | -82.2 | 75.4 | -173.8 | 109.9 | 15.1 | 108.9 | W751 I756 Q757 Q758 T759 T787 G788 | W751-R790 HydrophobicContact CD2-CG 4.41Å; W751-R790 HydrophobicContact CE3-CG 4.32Å; W751-R790 HydrophobicContact CH2-CB 3.83Å; W751-R790 HydrophobicContact CH2-CG 4.29Å; W751-R790 HydrophobicContact CZ2-CB 3.68Å; W751-R790 HydrophobicContact CZ2-CG 4.33Å; W751-R790 VanDerWaalsContact CZ2-O 3.29Å; W751-R790 WeakPolarHBondContact CZ2-O 3.47Å; W751-R790 HydrophobicContact CZ3-CB 4.32Å; W751-R790 HydrophobicContact CZ3-CG 4.27Å; I756-R790 VanDerWaalsContact C-NH2 3.32Å; I756-R790 VanDerWaalsContact O-CZ 3.22Å; I756-R790 PolarHBondContact O-NE 3.17Å; I756-R790 VanDerWaalsContact O-NE 3.15Å; I756-R790 PolarHBondContact O-NH2 2.95Å; Q757-R790 VanDerWaalsContact C-CZ 3.42Å; Q757-R790 PolarHBondContact O-NH1 2.67Å; Q758-R790 VanDerWaalsContact C-NH2 3.29Å; Q758-R790 PolarHBondContact O-NH2 2.95Å; T759-R790 PolarHBondContact OG1-NH1 2.91Å; T759-R790 PolarHBondContact OG1-NH2 2.9Å; T787-R790 PolarHBondContact O-NH1 2.9Å; G788-R790 PolarHBondContact O-NH1 3.05Å | ||
| 791 | T | 80 | Confident | 80.9 | Confident | 29 Ų | 29 | 53.6 Ų | 53.6 | 18% | 0.178 | 27% | 0.265 | C | S | . | . | trans | -74.4 | 164.5 | -179.6 | 74.2 | 0 | 0 | 0 | 0 | 111.5 | W751 E789 E793 A794 | W751-T791 PolarHBondContact NE1-O 2.76Å; E789-T791 HydrophobicContact CB-CG2 3.89Å; T791-E793 PolarHBondContact O-N 2.94Å; T791-E793 PolarHBondContact OG1-N 2.8Å; T791-E793 PolarHBondContact OG1-OE2 2.73Å; T791-A794 PolarHBondContact OG1-N 3.46Å | ||
| 792 | T | 84 | Confident | 82.4 | Confident | 94 Ų | 94 | 51.9 Ų | 51.9 | 58% | 0.577 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -69.9 | -16.6 | 169.6 | 45 | 0 | 0 | 0 | 0 | 112.8 | Y795 | T792-Y795 HydrophobicContact CG2-CE2 3.76Å; T792-Y795 VanDerWaalsContact O-CB 3.31Å; T792-Y795 WeakPolarHBondContact O-CB 3.36Å; T792-Y795 VanDerWaalsContact O-CD2 3.25Å; T792-Y795 WeakPolarHBondContact O-CD2 3.33Å; T792-Y795 VanDerWaalsContact O-CG 3.24Å; T792-Y795 PolarHBondContact O-N 3.18Å |
| 793 | E | 84.2 | Confident | 83.4 | Confident | 103 Ų | 103 | 58.6 Ų | 58.6 | 48% | 0.481 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -31.4 | -178.1 | -61.2 | 150.7 | 155.1 | 0 | 0 | 111.9 | L761 T791 Y795 A812 | L761-E793 HydrophobicContact CD1-CB 3.7Å; T791-E793 PolarHBondContact O-N 2.94Å; T791-E793 PolarHBondContact OG1-N 2.8Å; T791-E793 PolarHBondContact OG1-OE2 2.73Å; E793-Y795 PolarHBondContact O-N 2.97Å; E793-Y795 VanDerWaalsContact O-N 3.1Å; E793-A812 HydrophobicContact CB-CB 4.15Å; E793-A812 HydrophobicContact CG-CB 4.41Å |
| 794 | A | 89 | Confident | 84.1 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | 10 | 172 | 0 | 0 | 0 | 0 | 0 | 114.1 | T759 L760 L761 T791 W796 | T759-A794 HydrophobicContact CG2-CB 3.61Å; L760-A794 WeakPolarHBondContact O-CB 3.31Å; L761-A794 HydrophobicContact CB-CB 4.3Å; L761-A794 HydrophobicContact CD1-CB 3.82Å; T791-A794 PolarHBondContact OG1-N 3.46Å; A794-W796 PolarHBondContact O-N 2.82Å; A794-W796 PolarHBondContact O-NE1 2.76Å |
| 795 | Y | 92.8 | Very high | 84.7 | Confident | 53 Ų | 53 | 61.6 Ų | 61.6 | 21% | 0.208 | 31% | 0.307 | C | S | . | . | trans | -75.4 | 123.4 | 176.4 | -75.4 | -12.7 | 0 | 0 | 0 | 111.6 | I749 W751 T792 E793 V811 I887 | I749-Y795 HydrophobicContact CG2-CD2 4.29Å; I749-Y795 HydrophobicContact CG2-CG 4.03Å; W751-Y795 AromaticContact CD1-CD1 3.88Å; W751-Y795 HydrophobicContact CD2-CE1 4.33Å; W751-Y795 AromaticContact CE2-CD1 3.95Å; W751-Y795 AromaticContact CE2-CE1 3.52Å; W751-Y795 HydrophobicContact CH2-CE1 4.49Å; W751-Y795 HydrophobicContact CZ2-CD1 4.46Å; W751-Y795 AromaticContact CZ2-CE1 3.61Å; W751-Y795 HydrophobicContact CZ2-CE1 3.61Å; W751-Y795 AromaticContact NE1-CD1 3.46Å; W751-Y795 AromaticContact NE1-CE1 3.5Å; T792-Y795 HydrophobicContact CG2-CE2 3.76Å; T792-Y795 VanDerWaalsContact O-CB 3.31Å; T792-Y795 WeakPolarHBondContact O-CB 3.36Å; T792-Y795 VanDerWaalsContact O-CD2 3.25Å; T792-Y795 WeakPolarHBondContact O-CD2 3.33Å; T792-Y795 VanDerWaalsContact O-CG 3.24Å; T792-Y795 PolarHBondContact O-N 3.18Å; E793-Y795 PolarHBondContact O-N 2.97Å; E793-Y795 VanDerWaalsContact O-N 3.1Å; Y795-V811 WeakPolarHBondContact O-CB 3.34Å; Y795-V811 WeakPolarHBondContact O-CG2 3.38Å; Y795-V811 PolarHBondContact O-N 2.88Å; Y795-I887 HydrophobicContact CD1-CG1 4.03Å; Y795-I887 HydrophobicContact CE1-CD1 3.85Å; Y795-I887 HydrophobicContact CE1-CG1 3.62Å; Y795-I887 HydrophobicContact CE1-CG2 4.36Å | ||
| 796 | W | 94 | Very high | 85.3 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 126.9 | 176.8 | -65.6 | 91.5 | 0 | 0 | 0 | 110.9 | I749 L750 L752 L760 P762 L784 A794 F808 E809 L818 V827 | I749-W796 WeakPolarHBondContact CA-O 3.44Å; L750-W796 HydrophobicContact CD1-CB 4.2Å; L750-W796 PolarHBondContact N-O 2.94Å; L750-W796 PolarHBondContact O-N 2.98Å; L752-W796 HydrophobicContact CD1-CB 4.49Å; L752-W796 HydrophobicContact CD1-CG 4.15Å; L760-W796 HydrophobicContact CD2-CD2 4.42Å; L760-W796 HydrophobicContact CD2-CZ2 3.75Å; L760-W796 HydrophobicContact CG-CZ2 4Å; L760-W796 PolarHBondContact O-NE1 3Å; P762-W796 HydrophobicContact CG-CH2 4.11Å; P762-W796 HydrophobicContact CG-CZ2 3.88Å; L784-W796 HydrophobicContact CD2-CZ2 4.35Å; A794-W796 PolarHBondContact O-N 2.82Å; A794-W796 PolarHBondContact O-NE1 2.76Å; W796-F808 HydrophobicContact CB-CD1 4.47Å; W796-F808 HydrophobicContact CD2-CB 4.46Å; W796-F808 HydrophobicContact CE3-CB 3.79Å; W796-F808 HydrophobicContact CZ3-CB 4.46Å; W796-E809 WeakPolarHBondContact CA-O 3.47Å; W796-L818 HydrophobicContact CE3-CB 4.46Å; W796-L818 HydrophobicContact CH2-CB 4.13Å; W796-L818 HydrophobicContact CH2-CD1 4.38Å; W796-L818 HydrophobicContact CZ3-CB 3.76Å; W796-V827 HydrophobicContact CH2-CG1 3.77Å; W796-V827 HydrophobicContact CH2-CG2 3.92Å; W796-V827 HydrophobicContact CZ3-CG1 4.08Å |
| 797 | R | 94.8 | Very high | 86.1 | Confident | 74 Ų | 74 | 61.4 Ų | 61.4 | 28% | 0.279 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 123.7 | 174.1 | -166.5 | -153.8 | -54.4 | -125.2 | 1.1 | 110.1 | Q747 T748 I749 F808 E809 V811 | Q747-R797 VanDerWaalsContact OE1-NH1 3.15Å; T748-R797 CarbonylContact O-C 3.5Å; T748-R797 WeakPolarHBondContact O-CA 3.48Å; I749-R797 HydrophobicContact CG1-CG 4.37Å; R797-F808 WeakPolarHBondContact O-CA 3.23Å; R797-E809 HydrophobicContact CB-CB 4.23Å; R797-E809 WeakPolarHBondContact CD-OE2 3.47Å; R797-E809 IonicContact CZ-OE2 3.56Å; R797-E809 PolarHBondContact N-O 3.3Å; R797-E809 IonicContact NE-OE2 2.68Å; R797-E809 PolarHBondContact NE-OE2 2.79Å; R797-E809 IonicContact NH2-OE2 2.64Å; R797-E809 PolarHBondContact O-N 2.95Å; R797-V811 HydrophobicContact CB-CG2 3.9Å |
| 798 | V | 94.9 | Very high | 87.4 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 120.3 | -177.6 | -177.6 | 0 | 0 | 0 | 0 | 110.7 | L744 Q747 T748 L750 R806 F808 | L744-V798 HydrophobicContact CB-CG1 4.28Å; L744-V798 HydrophobicContact CD2-CB 4.45Å; L744-V798 HydrophobicContact CD2-CG1 3.86Å; L744-V798 HydrophobicContact CD2-CG2 3.71Å; Q747-V798 PolarHBondContact N-O 2.84Å; T748-V798 WeakPolarHBondContact O-CG2 3.38Å; T748-V798 PolarHBondContact O-N 2.86Å; L750-V798 HydrophobicContact CD2-CG2 3.46Å; L750-V798 VanDerWaalsContact CD2-CG2 3.46Å; L750-V798 HydrophobicContact CG-CG2 3.93Å; V798-R806 HydrophobicContact CG1-CG 4.19Å; V798-F808 HydrophobicContact CG2-CD1 4.1Å; V798-F808 HydrophobicContact CG2-CE1 4Å |
| 799 | H | 94.2 | Very high | 89.1 | Confident | 28 Ų | 28 | 58.3 Ų | 58.3 | 13% | 0.13 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 132.5 | 168.9 | -67.6 | -125.2 | 0 | 0 | 0 | 110 | D746 V801 R806 R807 E809 F817 | D746-H799 WeakPolarHBondContact OD1-CA 3.5Å; H799-V801 PolarHBondContact O-N 2.86Å; H799-R806 WeakPolarHBondContact O-CA 3.47Å; H799-R806 WeakPolarHBondContact O-CD 3.41Å; H799-R807 HydrophobicContact CB-CG 3.62Å; H799-R807 PolarHBondContact N-O 2.84Å; H799-R807 PolarHBondContact ND1-NH2 2.88Å; H799-R807 PolarHBondContact O-N 3.15Å; H799-E809 IonicContact CD2-OE2 2.67Å; H799-E809 IonicContact CE1-OE2 2.95Å; H799-E809 IonicContact NE2-OE2 3.05Å; H799-E809 PolarHBondContact NE2-OE2 3.37Å; H799-F817 AromaticContact CD2-CE1 3.77Å; H799-F817 AromaticContact CE1-CZ 3.99Å; H799-F817 AromaticContact NE2-CE1 3.74Å; H799-F817 AromaticContact NE2-CZ 3.98Å |
| 800 | K | 92.8 | Very high | 90.4 | Very high | 104 Ų | 104 | 51.9 Ų | 51.9 | 45% | 0.452 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 96.8 | 177.8 | -179.3 | -154 | 165.1 | -157.1 | 0 | 110 | D746 | D746-K800 HydrophobicContact CB-CB 3.85Å; D746-K800 PolarHBondContact OD1-N 2.86Å |
| 801 | V | 91.3 | Very high | 90.9 | Very high | 56 Ų | 56 | 50.4 Ų | 50.4 | 34% | 0.339 | 24% | 0.244 | S | C | . | . | trans | -70 | -59.6 | 170.3 | -175.3 | 0 | 0 | 0 | 0 | 110.3 | H799 I805 R807 Y836 | H799-V801 PolarHBondContact O-N 2.86Å; V801-I805 HydrophobicContact CB-CB 4.23Å; V801-I805 HydrophobicContact CB-CG2 3.93Å; V801-I805 HydrophobicContact CG1-CG2 4.17Å; V801-I805 HydrophobicContact CG2-CG2 4.37Å; V801-I805 PolarHBondContact N-O 3.25Å; V801-R807 HydrophobicContact CG2-CG 4.28Å; V801-Y836 HydrophobicContact CG1-CD2 4.1Å; V801-Y836 HydrophobicContact CG1-CE2 3.66Å; V801-Y836 HydrophobicContact CG2-CD1 4.18Å; V801-Y836 HydrophobicContact CG2-CE1 4.01Å; V801-Y836 HydrophobicContact CG2-CE2 4.4Å; V801-Y836 HydrophobicContact CG2-CG 4.47Å | ||
| 802 | D | 89.5 | Confident | 91.1 | Very high | 92 Ų | 92 | 50.6 Ų | 50.6 | 49% | 0.492 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -151.2 | -168.9 | -175.3 | -168.1 | 18.4 | 0 | 0 | 0 | 112.9 | N804 I805 R806 | D802-N804 PolarHBondContact O-N 3.06Å; D802-N804 VanDerWaalsContact O-N 3.16Å; D802-I805 HydrophobicContact CB-CB 4.21Å; D802-I805 HydrophobicContact CB-CD1 4.3Å; D802-I805 HydrophobicContact CB-CG1 4.4Å; D802-I805 PolarHBondContact N-O 3.38Å; D802-I805 PolarHBondContact O-N 3.44Å; D802-R806 PolarHBondContact O-NH1 2.88Å |
| 803 | K | 86.2 | Confident | 91.1 | Very high | 170 Ų | 170 | 50.8 Ų | 50.8 | 74% | 0.739 | 24% | 0.238 | S | C | * | . | S | Bend | trans | -55.7 | 111.4 | 164.8 | -170.6 | 179.3 | -178.8 | -176.1 | 0 | 109.1 | I805 | K803-I805 PolarHBondContact O-N 3.4Å; K803-I805 VanDerWaalsContact O-N 3.07Å |
| 804 | N | 88 | Confident | 91.1 | Very high | 75 Ų | 75 | 49.8 Ų | 49.8 | 40% | 0.401 | 24% | 0.241 | S | C | . | . | S | Bend | trans | 65.7 | -17 | -174.4 | -58.8 | -30.4 | 0 | 0 | 0 | 117.8 | D802 I839 R841 | D802-N804 PolarHBondContact O-N 3.06Å; D802-N804 VanDerWaalsContact O-N 3.16Å; N804-I839 WeakPolarHBondContact O-CB 3.21Å; N804-I839 VanDerWaalsContact O-CG1 3.3Å; N804-I839 WeakPolarHBondContact O-CG1 3.35Å; N804-I839 PolarHBondContact O-N 2.82Å; N804-R841 PolarHBondContact OD1-NH1 2.83Å |
| 805 | I | 94.3 | Very high | 90.8 | Very high | 32 Ų | 32 | 51.8 Ų | 51.8 | 16% | 0.164 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 131.8 | 177.4 | -51.5 | 177.7 | 0 | 0 | 0 | 111.3 | V801 D802 K803 Y836 F837 L853 | V801-I805 HydrophobicContact CB-CB 4.23Å; V801-I805 HydrophobicContact CB-CG2 3.93Å; V801-I805 HydrophobicContact CG1-CG2 4.17Å; V801-I805 HydrophobicContact CG2-CG2 4.37Å; V801-I805 PolarHBondContact N-O 3.25Å; D802-I805 HydrophobicContact CB-CB 4.21Å; D802-I805 HydrophobicContact CB-CD1 4.3Å; D802-I805 HydrophobicContact CB-CG1 4.4Å; D802-I805 PolarHBondContact N-O 3.38Å; D802-I805 PolarHBondContact O-N 3.44Å; K803-I805 PolarHBondContact O-N 3.4Å; K803-I805 VanDerWaalsContact O-N 3.07Å; I805-Y836 HydrophobicContact CG2-CD2 4.15Å; I805-Y836 HydrophobicContact CG2-CG 4.23Å; I805-F837 CarbonylContact C-O 3.49Å; I805-F837 WeakPolarHBondContact CA-O 3.49Å; I805-L853 HydrophobicContact CD1-CD1 4.49Å; I805-L853 HydrophobicContact CD1-CD2 4.21Å |
| 806 | R | 95.2 | Very high | 90.6 | Very high | 24 Ų | 24 | 51.6 Ų | 51.6 | 9% | 0.091 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 159.2 | 176.2 | -63.7 | -62.2 | 178.1 | -87.5 | 7 | 111.1 | L744 V798 H799 D802 F808 F837 I839 | L744-R806 PolarHBondContact O-NE 3.05Å; L744-R806 PolarHBondContact O-NH2 3.02Å; V798-R806 HydrophobicContact CG1-CG 4.19Å; H799-R806 WeakPolarHBondContact O-CA 3.47Å; H799-R806 WeakPolarHBondContact O-CD 3.41Å; D802-R806 PolarHBondContact O-NH1 2.88Å; R806-F808 HydrophobicContact CB-CE2 4.2Å; R806-F808 HydrophobicContact CB-CZ 4.28Å; R806-F837 PolarHBondContact N-O 3.04Å; R806-F837 PolarHBondContact O-N 2.98Å; R806-I839 HydrophobicContact CB-CD1 4.11Å; R806-I839 HydrophobicContact CB-CG1 3.98Å; R806-I839 HydrophobicContact CG-CD1 4.24Å; R806-I839 HydrophobicContact CG-CG1 3.64Å |
| 807 | R | 94.6 | Very high | 90.5 | Very high | 63 Ų | 63 | 52.1 Ų | 52.1 | 24% | 0.238 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 153.3 | 158.6 | 64.5 | -179.1 | -174 | -177.1 | 4.9 | 108.9 | H799 V801 F817 G831 C835 Y836 | H799-R807 HydrophobicContact CB-CG 3.62Å; H799-R807 PolarHBondContact N-O 2.84Å; H799-R807 PolarHBondContact ND1-NH2 2.88Å; H799-R807 PolarHBondContact O-N 3.15Å; V801-R807 HydrophobicContact CG2-CG 4.28Å; R807-F817 HydrophobicContact CB-CD1 4.03Å; R807-F817 HydrophobicContact CB-CE1 4.46Å; R807-F817 VanDerWaalsContact CD-CE1 3.45Å; R807-F817 HydrophobicContact CG-CD1 3.73Å; R807-F817 HydrophobicContact CG-CE1 3.66Å; R807-F817 VanDerWaalsContact NE-CE1 3.29Å; R807-G831 PolarHBondContact NH1-O 2.97Å; R807-C835 WeakPolarHBondContact CA-O 3.4Å; R807-C835 HydrophobicContact CB-CB 4.47Å; R807-C835 WeakPolarHBondContact CB-O 3.49Å; R807-Y836 HydrophobicContact CB-CD1 4.27Å |
| 808 | F | 95.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 116 | -175.8 | -59.5 | -92.9 | 0 | 0 | 0 | 109 | L744 L752 W796 R797 V798 R806 F817 L818 F837 I839 L850 | L744-F808 HydrophobicContact CD2-CE1 4.02Å; L744-F808 HydrophobicContact CD2-CZ 4.34Å; L752-F808 HydrophobicContact CD1-CD1 3.98Å; L752-F808 HydrophobicContact CD1-CE1 4.16Å; L752-F808 HydrophobicContact CD1-CG 4.3Å; L752-F808 HydrophobicContact CD2-CE1 4.28Å; W796-F808 HydrophobicContact CB-CD1 4.47Å; W796-F808 HydrophobicContact CD2-CB 4.46Å; W796-F808 HydrophobicContact CE3-CB 3.79Å; W796-F808 HydrophobicContact CZ3-CB 4.46Å; R797-F808 WeakPolarHBondContact O-CA 3.23Å; V798-F808 HydrophobicContact CG2-CD1 4.1Å; V798-F808 HydrophobicContact CG2-CE1 4Å; R806-F808 HydrophobicContact CB-CE2 4.2Å; R806-F808 HydrophobicContact CB-CZ 4.28Å; F808-F817 CarbonylContact O-C 3.41Å; F808-F817 VanDerWaalsContact O-CA 3.24Å; F808-F817 WeakPolarHBondContact O-CA 3.16Å; F808-L818 HydrophobicContact CB-CB 4.19Å; F808-L818 HydrophobicContact CB-CD2 4.5Å; F808-L818 HydrophobicContact CD2-CD2 4.2Å; F808-L818 PolarHBondContact O-N 3.08Å; F808-F837 AromaticContact CD2-CD2 3.9Å; F808-F837 HydrophobicContact CD2-CD2 3.9Å; F808-F837 HydrophobicContact CD2-CE2 4.48Å; F808-F837 HydrophobicContact CE2-CB 4.25Å; F808-F837 HydrophobicContact CE2-CD2 4.14Å; F808-F837 HydrophobicContact CE2-CG 4.38Å; F808-I839 HydrophobicContact CE2-CD1 3.9Å; F808-I839 HydrophobicContact CZ-CD1 3.8Å; F808-L850 HydrophobicContact CE2-CD1 4.42Å; F808-L850 HydrophobicContact CE2-CD2 3.72Å; F808-L850 HydrophobicContact CZ-CD2 3.76Å |
| 809 | E | 94.4 | Very high | 90.1 | Very high | 18 Ų | 18 | 51.4 Ų | 51.4 | 8% | 0.084 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 140.7 | 176.9 | -171.1 | -166.8 | -177.2 | 0 | 0 | 109.2 | W796 R797 H799 G815 N816 F817 | W796-E809 WeakPolarHBondContact CA-O 3.47Å; R797-E809 HydrophobicContact CB-CB 4.23Å; R797-E809 WeakPolarHBondContact CD-OE2 3.47Å; R797-E809 IonicContact CZ-OE2 3.56Å; R797-E809 PolarHBondContact N-O 3.3Å; R797-E809 IonicContact NE-OE2 2.68Å; R797-E809 PolarHBondContact NE-OE2 2.79Å; R797-E809 IonicContact NH2-OE2 2.64Å; R797-E809 PolarHBondContact O-N 2.95Å; H799-E809 IonicContact CD2-OE2 2.67Å; H799-E809 IonicContact CE1-OE2 2.95Å; H799-E809 IonicContact NE2-OE2 3.05Å; H799-E809 PolarHBondContact NE2-OE2 3.37Å; E809-G815 PolarHBondContact OE1-N 2.93Å; E809-N816 CarbonylContact C-O 3.6Å; E809-N816 WeakPolarHBondContact CA-O 3.43Å; E809-F817 HydrophobicContact CB-CD1 3.81Å; E809-F817 HydrophobicContact CB-CE1 3.56Å; E809-F817 HydrophobicContact CB-CG 4.49Å; E809-F817 HydrophobicContact CB-CZ 4.04Å; E809-F817 HydrophobicContact CG-CD1 4.44Å; E809-F817 HydrophobicContact CG-CE1 4.07Å; E809-F817 HydrophobicContact CG-CE2 4.38Å; E809-F817 HydrophobicContact CG-CZ 4.03Å |
| 810 | S | 90.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 132 | 168.8 | -178.7 | 0 | 0 | 0 | 0 | 110.1 | A812 W813 N816 | S810-A812 PolarHBondContact OG-N 2.85Å; S810-W813 CarbonylContact O-C 3.48Å; S810-W813 PolarHBondContact OG-N 3.49Å; S810-W813 VanDerWaalsContact OG-N 3.11Å; S810-N816 PolarHBondContact N-O 2.99Å |
| 811 | V | 89.7 | Confident | 89.3 | Confident | 43 Ų | 43 | 47.3 Ų | 47.3 | 26% | 0.261 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -79.2 | -27.3 | 172.6 | 175.8 | 0 | 0 | 0 | 0 | 111.4 | I749 Y795 R797 | I749-V811 HydrophobicContact CG2-CG2 4.22Å; Y795-V811 WeakPolarHBondContact O-CB 3.34Å; Y795-V811 WeakPolarHBondContact O-CG2 3.38Å; Y795-V811 PolarHBondContact O-N 2.88Å; R797-V811 HydrophobicContact CB-CG2 3.9Å |
| 812 | A | 83.9 | Confident | 88.3 | Confident | 33 Ų | 33 | 50.7 Ų | 50.7 | 27% | 0.273 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -70.1 | -37.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E793 S810 P814 | E793-A812 HydrophobicContact CB-CB 4.15Å; E793-A812 HydrophobicContact CG-CB 4.41Å; S810-A812 PolarHBondContact OG-N 2.85Å; A812-P814 VanDerWaalsContact C-CD 3.46Å; A812-P814 WeakPolarHBondContact O-CD 3.49Å |
| 813 | W | 84.1 | Confident | 87.2 | Confident | 99 Ų | 99 | 51.1 Ų | 51.1 | 38% | 0.375 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -123.4 | 69.7 | -176 | -53.7 | 103.9 | 0 | 0 | 0 | 111 | I764 F782 S810 N816 | I764-W813 HydrophobicContact CD1-CH2 3.95Å; I764-W813 HydrophobicContact CD1-CZ2 3.73Å; I764-W813 HydrophobicContact CG1-CZ2 4.48Å; F782-W813 AromaticContact CE1-CD1 3.75Å; F782-W813 AromaticContact CE1-CD2 3.67Å; F782-W813 HydrophobicContact CE1-CD2 3.67Å; F782-W813 AromaticContact CE1-CE2 3.56Å; F782-W813 HydrophobicContact CE1-CE3 4.3Å; F782-W813 AromaticContact CE1-CG 3.85Å; F782-W813 HydrophobicContact CE1-CG 3.85Å; F782-W813 HydrophobicContact CE1-CZ2 4.13Å; F782-W813 AromaticContact CE1-NE1 3.57Å; F782-W813 AromaticContact CZ-CD2 3.75Å; F782-W813 HydrophobicContact CZ-CD2 3.75Å; F782-W813 AromaticContact CZ-CE3 3.91Å; F782-W813 HydrophobicContact CZ-CE3 3.91Å; F782-W813 HydrophobicContact CZ-CG 4.16Å; F782-W813 HydrophobicContact CZ-CZ2 4.41Å; F782-W813 HydrophobicContact CZ-CZ3 4.3Å; S810-W813 CarbonylContact O-C 3.48Å; S810-W813 PolarHBondContact OG-N 3.49Å; S810-W813 VanDerWaalsContact OG-N 3.11Å; W813-N816 HydrophobicContact CB-CB 4.35Å; W813-N816 VanDerWaalsContact O-CB 3.28Å; W813-N816 WeakPolarHBondContact O-CB 3.21Å; W813-N816 PolarHBondContact O-N 2.81Å; W813-N816 VanDerWaalsContact O-N 3.08Å; W813-N816 PolarHBondContact O-ND2 3.09Å |
| 814 | P | 83.9 | Confident | 86.9 | Confident | 82 Ų | 82 | 45.9 Ų | 45.9 | 53% | 0.532 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | 147.5 | -176.7 | -27.2 | 35.3 | 0 | 0 | 0 | 113.6 | A812 N816 | A812-P814 VanDerWaalsContact C-CD 3.46Å; A812-P814 WeakPolarHBondContact O-CD 3.49Å; P814-N816 PolarHBondContact O-N 2.89Å |
| 815 | G | 81.9 | Confident | 86.8 | Confident | 42 Ų | 42 | 43.1 Ų | 43.1 | 43% | 0.433 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | -19.1 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | E809 F817 | E809-G815 PolarHBondContact OE1-N 2.93Å; G815-F817 VanDerWaalsContact O-CD2 3.23Å; G815-F817 WeakPolarHBondContact O-CD2 3.26Å; G815-F817 VanDerWaalsContact O-CE2 3.32Å; G815-F817 WeakPolarHBondContact O-CE2 3.44Å |
| 816 | N | 88.4 | Confident | 86.4 | Confident | 48 Ų | 48 | 42.8 Ų | 42.8 | 26% | 0.257 | 25% | 0.247 | S | C | . | . | trans | -91 | 132.4 | 173.8 | -61 | -78.8 | 0 | 0 | 0 | 111.2 | E809 S810 W813 P814 V827 | E809-N816 CarbonylContact C-O 3.6Å; E809-N816 WeakPolarHBondContact CA-O 3.43Å; S810-N816 PolarHBondContact N-O 2.99Å; W813-N816 HydrophobicContact CB-CB 4.35Å; W813-N816 VanDerWaalsContact O-CB 3.28Å; W813-N816 WeakPolarHBondContact O-CB 3.21Å; W813-N816 PolarHBondContact O-N 2.81Å; W813-N816 VanDerWaalsContact O-N 3.08Å; W813-N816 PolarHBondContact O-ND2 3.09Å; P814-N816 PolarHBondContact O-N 2.89Å; N816-V827 HydrophobicContact CB-CG1 4.39Å; N816-V827 WeakPolarHBondContact CB-O 3.37Å | ||
| 817 | F | 91.5 | Very high | 85.8 | Confident | 12 Ų | 12 | 41.7 Ų | 41.7 | 5% | 0.053 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 150.4 | -177.6 | -65.5 | -97.9 | 0 | 0 | 0 | 111.6 | H799 R807 F808 E809 G815 R819 V827 G829 G831 C835 | H799-F817 AromaticContact CD2-CE1 3.77Å; H799-F817 AromaticContact CE1-CZ 3.99Å; H799-F817 AromaticContact NE2-CE1 3.74Å; H799-F817 AromaticContact NE2-CZ 3.98Å; R807-F817 HydrophobicContact CB-CD1 4.03Å; R807-F817 HydrophobicContact CB-CE1 4.46Å; R807-F817 VanDerWaalsContact CD-CE1 3.45Å; R807-F817 HydrophobicContact CG-CD1 3.73Å; R807-F817 HydrophobicContact CG-CE1 3.66Å; R807-F817 VanDerWaalsContact NE-CE1 3.29Å; F808-F817 CarbonylContact O-C 3.41Å; F808-F817 VanDerWaalsContact O-CA 3.24Å; F808-F817 WeakPolarHBondContact O-CA 3.16Å; E809-F817 HydrophobicContact CB-CD1 3.81Å; E809-F817 HydrophobicContact CB-CE1 3.56Å; E809-F817 HydrophobicContact CB-CG 4.49Å; E809-F817 HydrophobicContact CB-CZ 4.04Å; E809-F817 HydrophobicContact CG-CD1 4.44Å; E809-F817 HydrophobicContact CG-CE1 4.07Å; E809-F817 HydrophobicContact CG-CE2 4.38Å; E809-F817 HydrophobicContact CG-CZ 4.03Å; G815-F817 VanDerWaalsContact O-CD2 3.23Å; G815-F817 WeakPolarHBondContact O-CD2 3.26Å; G815-F817 VanDerWaalsContact O-CE2 3.32Å; G815-F817 WeakPolarHBondContact O-CE2 3.44Å; F817-R819 PolarHBondContact O-N 2.88Å; F817-V827 CarbonylContact O-C 3.57Å; F817-G829 WeakPolarHBondContact CB-O 3.49Å; F817-G829 WeakPolarHBondContact CD2-O 3.47Å; F817-G829 PolarHBondContact N-O 3.28Å; F817-G829 WeakPolarHBondContact O-CA 3.35Å; F817-G829 PolarHBondContact O-N 2.87Å; F817-G829 VanDerWaalsContact O-N 3.09Å; F817-G831 VanDerWaalsContact CD2-CA 3.41Å; F817-C835 HydrophobicContact CB-CB 3.92Å |
| 818 | L | 92.3 | Very high | 85 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.1 | 126 | 162.8 | 179.9 | 67.2 | 0 | 0 | 0 | 108.8 | L760 L784 W796 F808 V825 D826 C835 F837 L850 I860 | L760-L818 HydrophobicContact CD2-CD1 4.48Å; L760-L818 HydrophobicContact CD2-CD2 4.37Å; L784-L818 HydrophobicContact CD1-CD1 3.41Å; L784-L818 VanDerWaalsContact CD1-CD1 3.41Å; W796-L818 HydrophobicContact CE3-CB 4.46Å; W796-L818 HydrophobicContact CH2-CB 4.13Å; W796-L818 HydrophobicContact CH2-CD1 4.38Å; W796-L818 HydrophobicContact CZ3-CB 3.76Å; F808-L818 HydrophobicContact CB-CB 4.19Å; F808-L818 HydrophobicContact CB-CD2 4.5Å; F808-L818 HydrophobicContact CD2-CD2 4.2Å; F808-L818 PolarHBondContact O-N 3.08Å; L818-V825 HydrophobicContact CD1-CG1 3.87Å; L818-D826 WeakPolarHBondContact CA-O 3.4Å; L818-C835 WeakPolarHBondContact O-CA 3.45Å; L818-C835 WeakPolarHBondContact O-CB 3.34Å; L818-F837 HydrophobicContact CB-CE2 4.14Å; L818-F837 HydrophobicContact CB-CZ 4.5Å; L818-F837 HydrophobicContact CD2-CD2 4.46Å; L818-F837 HydrophobicContact CD2-CE2 3.8Å; L818-F837 HydrophobicContact CD2-CZ 3.84Å; L818-F837 HydrophobicContact CG-CE2 3.81Å; L818-F837 HydrophobicContact CG-CZ 3.74Å; L818-F837 WeakPolarHBondContact O-CE2 3.34Å; L818-L850 HydrophobicContact CD2-CD1 4.35Å; L818-I860 HydrophobicContact CD1-CD1 4.44Å; L818-I860 HydrophobicContact CD2-CD1 4Å; L818-I860 HydrophobicContact CG-CD1 4.38Å |
| 819 | R | 90 | Very high | 84.2 | Confident | 59 Ų | 59 | 42.5 Ų | 42.5 | 22% | 0.223 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 151.6 | -174 | 168.9 | 173.1 | 73.5 | 159.5 | 15.2 | 111.2 | F817 T821 V825 D826 D834 | F817-R819 PolarHBondContact O-N 2.88Å; R819-T821 HydrophobicContact CG-CG2 3.91Å; R819-V825 WeakPolarHBondContact O-CA 3.42Å; R819-D826 WeakPolarHBondContact CB-OD1 3.45Å; R819-D826 IonicContact CZ-OD1 3.73Å; R819-D826 IonicContact CZ-OD2 3.64Å; R819-D826 PolarHBondContact N-O 3.04Å; R819-D826 IonicContact NE-OD1 2.72Å; R819-D826 PolarHBondContact NE-OD1 2.84Å; R819-D826 IonicContact NE-OD2 3.99Å; R819-D826 PolarHBondContact NE-OD2 2.89Å; R819-D826 IonicContact NH2-OD1 3.89Å; R819-D826 IonicContact NH2-OD2 2.73Å; R819-D826 PolarHBondContact NH2-OD2 3.43Å; R819-D826 PolarHBondContact O-N 2.9Å; R819-D826 VanDerWaalsContact O-N 3.08Å; R819-D834 WeakPolarHBondContact CD-OD2 3.19Å; R819-D834 HydrophobicContact CG-CB 4.02Å |
| 820 | V | 89.1 | Confident | 83.6 | Confident | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.024 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 122.9 | 165.6 | 177.8 | 0 | 0 | 0 | 0 | 110.1 | S824 V825 D834 F837 P852 I860 L870 | V820-S824 WeakPolarHBondContact CA-O 3.39Å; V820-V825 HydrophobicContact CG2-CG1 4.33Å; V820-V825 HydrophobicContact CG2-CG2 4.21Å; V820-D834 PolarHBondContact N-O 2.7Å; V820-F837 HydrophobicContact CG2-CE1 3.87Å; V820-F837 HydrophobicContact CG2-CZ 4.03Å; V820-P852 HydrophobicContact CB-CB 3.89Å; V820-P852 HydrophobicContact CB-CG 4.33Å; V820-P852 HydrophobicContact CG1-CB 4.25Å; V820-P852 HydrophobicContact CG1-CG 4.2Å; V820-P852 HydrophobicContact CG2-CB 3.84Å; V820-P852 HydrophobicContact CG2-CG 4.16Å; V820-I860 HydrophobicContact CG2-CD1 4.18Å; V820-I860 HydrophobicContact CG2-CG1 4.44Å; V820-L870 HydrophobicContact CG1-CD1 3.59Å; V820-L870 HydrophobicContact CG1-CD2 4.37Å; V820-L870 HydrophobicContact CG2-CD2 4.27Å |
| 821 | T | 80.5 | Confident | 83.1 | Confident | 41 Ų | 41 | 45.4 Ų | 45.4 | 25% | 0.252 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 126.8 | -180 | 36.3 | 0 | 0 | 0 | 0 | 110.7 | R819 D823 S824 D834 | R819-T821 HydrophobicContact CG-CG2 3.91Å; T821-D823 VanDerWaalsContact C-N 3.27Å; T821-D823 PolarHBondContact O-N 2.84Å; T821-S824 PolarHBondContact N-O 3Å; T821-S824 PolarHBondContact O-N 2.88Å; T821-S824 PolarHBondContact O-OG 3.35Å; T821-D834 HydrophobicContact CG2-CB 4.21Å |
| 822 | S | 70.3 | Confident | 82.9 | Confident | 128 Ų | 128 | 44.9 Ų | 44.9 | 90% | 0.895 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.4 | 49.7 | 179.7 | -54.6 | 0 | 0 | 0 | 0 | 112.8 | S824 | S822-S824 PolarHBondContact O-N 3.29Š|
| 823 | D | 68 | Low | 83.1 | Confident | 101 Ų | 101 | 48.4 Ų | 48.4 | 54% | 0.54 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 3.7 | -174 | -64 | -48.1 | 0 | 0 | 0 | 117.9 | T821 L870 | T821-D823 VanDerWaalsContact C-N 3.27Å; T821-D823 PolarHBondContact O-N 2.84Å; D823-L870 HydrophobicContact CB-CD1 3.99Å; D823-L870 WeakPolarHBondContact O-CD1 3.36Å; D823-L870 WeakPolarHBondContact OD1-CD1 3.36Å |
| 824 | S | 79.4 | Confident | 83.4 | Confident | 60 Ų | 60 | 45.4 Ų | 45.4 | 42% | 0.42 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 152.7 | 164.9 | 71.6 | 0 | 0 | 0 | 0 | 112.1 | V820 T821 S822 | V820-S824 WeakPolarHBondContact CA-O 3.39Å; T821-S824 PolarHBondContact N-O 3Å; T821-S824 PolarHBondContact O-N 2.88Å; T821-S824 PolarHBondContact O-OG 3.35Å; S822-S824 PolarHBondContact O-N 3.29Å |
| 825 | V | 85.9 | Confident | 83.8 | Confident | 17 Ų | 17 | 41.5 Ų | 41.5 | 10% | 0.103 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 121.8 | 178.9 | -169.1 | 0 | 0 | 0 | 0 | 109.1 | L784 L818 R819 V820 I860 I868 L870 | L784-V825 HydrophobicContact CD1-CG1 4.13Å; L818-V825 HydrophobicContact CD1-CG1 3.87Å; R819-V825 WeakPolarHBondContact O-CA 3.42Å; V820-V825 HydrophobicContact CG2-CG1 4.33Å; V820-V825 HydrophobicContact CG2-CG2 4.21Å; V825-I860 HydrophobicContact CG1-CD1 3.87Å; V825-I860 HydrophobicContact CG1-CG1 4.38Å; V825-I860 HydrophobicContact CG2-CG1 4.45Å; V825-I868 HydrophobicContact CB-CG2 4.06Å; V825-I868 HydrophobicContact CG1-CG2 4.09Å; V825-I868 HydrophobicContact CG2-CG2 4.28Å; V825-L870 HydrophobicContact CG2-CD1 4.46Å; V825-L870 HydrophobicContact CG2-CD2 3.82Å; V825-L870 HydrophobicContact CG2-CG 3.91Å |
| 826 | D | 85.2 | Confident | 84.4 | Confident | 24 Ų | 24 | 42.4 Ų | 42.4 | 13% | 0.128 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | -178.5 | -177.1 | 73.1 | 30.3 | 0 | 0 | 0 | 113.5 | L818 R819 M828 | L818-D826 WeakPolarHBondContact CA-O 3.4Å; R819-D826 WeakPolarHBondContact CB-OD1 3.45Å; R819-D826 IonicContact CZ-OD1 3.73Å; R819-D826 IonicContact CZ-OD2 3.64Å; R819-D826 PolarHBondContact N-O 3.04Å; R819-D826 IonicContact NE-OD1 2.72Å; R819-D826 PolarHBondContact NE-OD1 2.84Å; R819-D826 IonicContact NE-OD2 3.99Å; R819-D826 PolarHBondContact NE-OD2 2.89Å; R819-D826 IonicContact NH2-OD1 3.89Å; R819-D826 IonicContact NH2-OD2 2.73Å; R819-D826 PolarHBondContact NH2-OD2 3.43Å; R819-D826 PolarHBondContact O-N 2.9Å; R819-D826 VanDerWaalsContact O-N 3.08Å; D826-M828 WeakPolarHBondContact OD1-CB 3.46Å; D826-M828 PolarHBondContact OD1-N 2.92Å |
| 827 | V | 82.4 | Confident | 84.7 | Confident | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.012 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 33.9 | 175.8 | -154.9 | 0 | 0 | 0 | 0 | 110.7 | P762 L784 W796 N816 F817 | P762-V827 HydrophobicContact CB-CB 4.42Å; P762-V827 HydrophobicContact CB-CG1 4.43Å; P762-V827 HydrophobicContact CB-CG2 3.89Å; P762-V827 HydrophobicContact CG-CG1 4.28Å; P762-V827 HydrophobicContact CG-CG2 4.09Å; L784-V827 HydrophobicContact CD1-CG2 3.59Å; L784-V827 HydrophobicContact CD2-CG2 4.4Å; L784-V827 HydrophobicContact CG-CG2 3.53Å; W796-V827 HydrophobicContact CH2-CG1 3.77Å; W796-V827 HydrophobicContact CH2-CG2 3.92Å; W796-V827 HydrophobicContact CZ3-CG1 4.08Å; N816-V827 HydrophobicContact CB-CG1 4.39Å; N816-V827 WeakPolarHBondContact CB-O 3.37Å; F817-V827 CarbonylContact O-C 3.57Å |
| 828 | M | 78.2 | Confident | 84.8 | Confident | 79 Ų | 79 | 43 Ų | 43 | 39% | 0.389 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 18.4 | -180 | -63.6 | -61.1 | -64.9 | 0 | 0 | 111.9 | F782 D826 | F782-M828 HydrophobicContact CB-CG 4.44Å; F782-M828 HydrophobicContact CB-SD 3.93Å; F782-M828 HydrophobicContact CD2-SD 3.53Å; F782-M828 VanDerWaalsContact CD2-SD 3.53Å; F782-M828 HydrophobicContact CG-SD 4.14Å; D826-M828 WeakPolarHBondContact OD1-CB 3.46Å; D826-M828 PolarHBondContact OD1-N 2.92Å |
| 829 | G | 78.1 | Confident | 84.9 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 122.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | F817 G831 C835 | F817-G829 WeakPolarHBondContact CB-O 3.49Å; F817-G829 WeakPolarHBondContact CD2-O 3.47Å; F817-G829 PolarHBondContact N-O 3.28Å; F817-G829 WeakPolarHBondContact O-CA 3.35Å; F817-G829 PolarHBondContact O-N 2.87Å; F817-G829 VanDerWaalsContact O-N 3.09Å; G829-G831 PolarHBondContact O-N 2.92Å; G829-G831 VanDerWaalsContact O-N 3.09Å; G829-C835 WeakPolarHBondContact CA-SG 3.33Å |
| 830 | G | 81.6 | Confident | 84.8 | Confident | 75 Ų | 75 | 43.6 Ų | 43.6 | 77% | 0.773 | 27% | 0.267 | S | S | * | . | trans | -73.3 | 13.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 831 | G | 80.2 | Confident | 84.7 | Confident | 5 Ų | 5 | 45.3 Ų | 45.3 | 5% | 0.052 | 27% | 0.273 | C | S | . | . | S | Bend | trans | 81.9 | 19.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | R807 F817 G829 C835 | R807-G831 PolarHBondContact NH1-O 2.97Å; F817-G831 VanDerWaalsContact CD2-CA 3.41Å; G829-G831 PolarHBondContact O-N 2.92Å; G829-G831 VanDerWaalsContact O-N 3.09Å; G831-C835 PolarHBondContact N-SG 2.91Å; G831-C835 VanDerWaalsContact N-SG 3.38Å |
| 832 | G | 85.7 | Confident | 84.8 | Confident | 31 Ų | 31 | 45.1 Ų | 45.1 | 32% | 0.32 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -76.6 | -165.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | D834 C835 Y836 | G832-D834 VanDerWaalsContact C-N 3.29Å; G832-D834 WeakPolarHBondContact CA-OD1 3.39Å; G832-D834 PolarHBondContact N-OD1 2.71Å; G832-D834 PolarHBondContact O-N 2.79Å; G832-C835 WeakPolarHBondContact O-CA 3.39Å; G832-C835 VanDerWaalsContact O-CB 3.27Å; G832-C835 WeakPolarHBondContact O-CB 3.08Å; G832-C835 PolarHBondContact O-N 2.89Å; G832-Y836 WeakPolarHBondContact O-CD1 3.5Å; G832-Y836 WeakPolarHBondContact O-CE1 3.46Å |
| 833 | I | 87.8 | Confident | 85.3 | Confident | 108 Ų | 108 | 44 Ų | 44 | 55% | 0.554 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -69.6 | -26.4 | -177.2 | -164.1 | 169.2 | 0 | 0 | 0 | 113.4 | C835 Y836 L853 V854 | I833-C835 PolarHBondContact O-N 2.74Å; I833-Y836 HydrophobicContact CG1-CD2 4.33Å; I833-Y836 WeakPolarHBondContact O-CB 3.39Å; I833-Y836 PolarHBondContact O-N 3.01Å; I833-L853 HydrophobicContact CD1-CD2 4.39Å; I833-L853 HydrophobicContact CG1-CD2 4.09Å; I833-V854 HydrophobicContact CG2-CG1 4.32Å |
| 834 | D | 90 | Very high | 85.4 | Confident | 35 Ų | 35 | 42 Ų | 42 | 19% | 0.187 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -59.4 | -23.8 | 166.1 | 60 | -21.6 | 0 | 0 | 0 | 113.3 | R819 V820 T821 G832 | R819-D834 WeakPolarHBondContact CD-OD2 3.19Å; R819-D834 HydrophobicContact CG-CB 4.02Å; V820-D834 PolarHBondContact N-O 2.7Å; T821-D834 HydrophobicContact CG2-CB 4.21Å; G832-D834 VanDerWaalsContact C-N 3.29Å; G832-D834 WeakPolarHBondContact CA-OD1 3.39Å; G832-D834 PolarHBondContact N-OD1 2.71Å; G832-D834 PolarHBondContact O-N 2.79Å |
| 835 | C | 92.7 | Very high | 85.1 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -95.8 | 1.3 | 177.5 | -49.1 | 0 | 0 | 0 | 0 | 113.3 | R807 F817 L818 G829 G831 G832 I833 F837 | R807-C835 WeakPolarHBondContact CA-O 3.4Å; R807-C835 HydrophobicContact CB-CB 4.47Å; R807-C835 WeakPolarHBondContact CB-O 3.49Å; F817-C835 HydrophobicContact CB-CB 3.92Å; L818-C835 WeakPolarHBondContact O-CA 3.45Å; L818-C835 WeakPolarHBondContact O-CB 3.34Å; G829-C835 WeakPolarHBondContact CA-SG 3.33Å; G831-C835 PolarHBondContact N-SG 2.91Å; G831-C835 VanDerWaalsContact N-SG 3.38Å; G832-C835 WeakPolarHBondContact O-CA 3.39Å; G832-C835 VanDerWaalsContact O-CB 3.27Å; G832-C835 WeakPolarHBondContact O-CB 3.08Å; G832-C835 PolarHBondContact O-N 2.89Å; I833-C835 PolarHBondContact O-N 2.74Å; C835-F837 WeakPolarHBondContact O-CD2 3.5Å; C835-F837 WeakPolarHBondContact O-CE2 3.49Å |
| 836 | Y | 94.6 | Very high | 84.5 | Confident | 62 Ų | 62 | 45 Ų | 45 | 24% | 0.243 | 25% | 0.252 | C | S | . | . | trans | -94.3 | 130.6 | -174.7 | -72.6 | 13.1 | 0 | 0 | 0 | 110.9 | V801 I805 R807 G832 I833 L853 | V801-Y836 HydrophobicContact CG1-CD2 4.1Å; V801-Y836 HydrophobicContact CG1-CE2 3.66Å; V801-Y836 HydrophobicContact CG2-CD1 4.18Å; V801-Y836 HydrophobicContact CG2-CE1 4.01Å; V801-Y836 HydrophobicContact CG2-CE2 4.4Å; V801-Y836 HydrophobicContact CG2-CG 4.47Å; I805-Y836 HydrophobicContact CG2-CD2 4.15Å; I805-Y836 HydrophobicContact CG2-CG 4.23Å; R807-Y836 HydrophobicContact CB-CD1 4.27Å; G832-Y836 WeakPolarHBondContact O-CD1 3.5Å; G832-Y836 WeakPolarHBondContact O-CE1 3.46Å; I833-Y836 HydrophobicContact CG1-CD2 4.33Å; I833-Y836 WeakPolarHBondContact O-CB 3.39Å; I833-Y836 PolarHBondContact O-N 3.01Å; Y836-L853 HydrophobicContact CD2-CD2 3.89Å; Y836-L853 HydrophobicContact CG-CD2 4.43Å; Y836-L853 VanDerWaalsContact O-CB 3.31Å; Y836-L853 WeakPolarHBondContact O-CB 3.47Å; Y836-L853 PolarHBondContact O-N 2.72Å | ||
| 837 | F | 95.1 | Very high | 84.6 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 125 | -179.2 | -63.1 | -82.6 | 0 | 0 | 0 | 111.8 | I805 R806 F808 L818 V820 C835 I839 L850 S851 P852 I860 | I805-F837 CarbonylContact C-O 3.49Å; I805-F837 WeakPolarHBondContact CA-O 3.49Å; R806-F837 PolarHBondContact N-O 3.04Å; R806-F837 PolarHBondContact O-N 2.98Å; F808-F837 AromaticContact CD2-CD2 3.9Å; F808-F837 HydrophobicContact CD2-CD2 3.9Å; F808-F837 HydrophobicContact CD2-CE2 4.48Å; F808-F837 HydrophobicContact CE2-CB 4.25Å; F808-F837 HydrophobicContact CE2-CD2 4.14Å; F808-F837 HydrophobicContact CE2-CG 4.38Å; L818-F837 HydrophobicContact CB-CE2 4.14Å; L818-F837 HydrophobicContact CB-CZ 4.5Å; L818-F837 HydrophobicContact CD2-CD2 4.46Å; L818-F837 HydrophobicContact CD2-CE2 3.8Å; L818-F837 HydrophobicContact CD2-CZ 3.84Å; L818-F837 HydrophobicContact CG-CE2 3.81Å; L818-F837 HydrophobicContact CG-CZ 3.74Å; L818-F837 WeakPolarHBondContact O-CE2 3.34Å; V820-F837 HydrophobicContact CG2-CE1 3.87Å; V820-F837 HydrophobicContact CG2-CZ 4.03Å; C835-F837 WeakPolarHBondContact O-CD2 3.5Å; C835-F837 WeakPolarHBondContact O-CE2 3.49Å; F837-I839 HydrophobicContact CB-CD1 4.04Å; F837-I839 PolarHBondContact O-N 2.85Å; F837-L850 HydrophobicContact CD1-CB 4.09Å; F837-S851 CarbonylContact C-O 3.57Å; F837-S851 VanDerWaalsContact CA-O 3.27Å; F837-S851 WeakPolarHBondContact CA-O 3.19Å; F837-P852 HydrophobicContact CD1-CB 4.23Å; F837-P852 HydrophobicContact CE1-CB 3.94Å; F837-I860 HydrophobicContact CD1-CD1 4.25Å; F837-I860 HydrophobicContact CE1-CD1 3.44Å; F837-I860 VanDerWaalsContact CE1-CD1 3.44Å; F837-I860 HydrophobicContact CE1-CG1 4.32Å; F837-I860 HydrophobicContact CZ-CD1 3.9Å |
| 838 | Q | 94.3 | Very high | 84.9 | Confident | 73 Ų | 73 | 44.8 Ų | 44.8 | 34% | 0.341 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 110 | 166.1 | -173.9 | -167.6 | 47.3 | 0 | 0 | 108.9 | N840 S851 | Q838-N840 PolarHBondContact O-N 2.96Å; Q838-S851 PolarHBondContact N-O 2.82Å; Q838-S851 PolarHBondContact O-N 2.93Å |
| 839 | I | 92.9 | Very high | 85.5 | Confident | 4 Ų | 4 | 41.4 Ų | 41.4 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 103.9 | -177.1 | -49.3 | -61 | 0 | 0 | 0 | 111.4 | L744 N804 R806 F808 F837 R841 L848 L850 | L744-I839 HydrophobicContact CD1-CB 4.42Å; L744-I839 HydrophobicContact CD1-CG1 4.2Å; L744-I839 HydrophobicContact CD1-CG2 3.69Å; N804-I839 WeakPolarHBondContact O-CB 3.21Å; N804-I839 VanDerWaalsContact O-CG1 3.3Å; N804-I839 WeakPolarHBondContact O-CG1 3.35Å; N804-I839 PolarHBondContact O-N 2.82Å; R806-I839 HydrophobicContact CB-CD1 4.11Å; R806-I839 HydrophobicContact CB-CG1 3.98Å; R806-I839 HydrophobicContact CG-CD1 4.24Å; R806-I839 HydrophobicContact CG-CG1 3.64Å; F808-I839 HydrophobicContact CE2-CD1 3.9Å; F808-I839 HydrophobicContact CZ-CD1 3.8Å; F837-I839 HydrophobicContact CB-CD1 4.04Å; F837-I839 PolarHBondContact O-N 2.85Å; I839-R841 HydrophobicContact CG2-CG 3.83Å; I839-R841 PolarHBondContact O-NH1 2.65Å; I839-L848 HydrophobicContact CG2-CB 4.05Å; I839-L848 HydrophobicContact CG2-CD1 4.31Å; I839-L848 HydrophobicContact CG2-CD2 4.28Å; I839-L848 HydrophobicContact CG2-CG 4.48Å; I839-L850 HydrophobicContact CD1-CD2 3.29Å |
| 840 | N | 88.9 | Confident | 86.3 | Confident | 67 Ų | 67 | 41.4 Ų | 41.4 | 36% | 0.358 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 144.8 | 163.5 | -171 | 17.4 | 0 | 0 | 0 | 109.8 | Q838 L848 Q849 | Q838-N840 PolarHBondContact O-N 2.96Å; N840-L848 VanDerWaalsContact O-CA 3.22Å; N840-L848 WeakPolarHBondContact O-CA 3.17Å; N840-L848 WeakPolarHBondContact O-CB 3.17Å; N840-Q849 HydrophobicContact CB-CB 4.25Å; N840-Q849 PolarHBondContact N-O 2.91Å; N840-Q849 PolarHBondContact ND2-OE1 3.25Å; N840-Q849 PolarHBondContact O-N 3.34Å |
| 841 | R | 87.4 | Confident | 86.8 | Confident | 40 Ų | 40 | 37.8 Ų | 37.8 | 15% | 0.151 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 98.1 | -176.6 | -63.5 | -172.7 | -170.8 | 79.8 | -0.2 | 112 | N804 I839 R843 L848 | N804-R841 PolarHBondContact OD1-NH1 2.83Å; I839-R841 HydrophobicContact CG2-CG 3.83Å; I839-R841 PolarHBondContact O-NH1 2.65Å; R841-R843 VanDerWaalsContact C-N 3.31Å; R841-R843 HydrophobicContact CB-CG 4.45Å; R841-R843 PolarHBondContact O-N 2.97Å; R841-L848 HydrophobicContact CG-CB 4.36Å |
| 842 | V | 82.4 | Confident | 87.4 | Confident | 37 Ų | 37 | 37.6 Ų | 37.6 | 22% | 0.224 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 73 | -178.4 | -170.2 | 0 | 0 | 0 | 0 | 109.1 | C844 K845 G846 F847 | V842-C844 VanDerWaalsContact C-N 3.3Å; V842-C844 PolarHBondContact O-N 3.06Å; V842-K845 HydrophobicContact CG1-CB 3.86Å; V842-K845 HydrophobicContact CG1-CD 4.31Å; V842-K845 HydrophobicContact CG1-CG 4.05Å; V842-K845 CarbonylContact O-C 3.52Å; V842-K845 VanDerWaalsContact O-C 3.31Å; V842-K845 WeakPolarHBondContact O-CA 3.49Å; V842-K845 PolarHBondContact O-N 3.27Å; V842-G846 PolarHBondContact O-N 3.1Å; V842-F847 HydrophobicContact CB-CD2 4.16Å; V842-F847 HydrophobicContact CB-CE1 4.21Å; V842-F847 HydrophobicContact CB-CE2 3.76Å; V842-F847 HydrophobicContact CB-CZ 3.79Å; V842-F847 HydrophobicContact CG1-CE1 4.29Å; V842-F847 HydrophobicContact CG1-CE2 4.49Å; V842-F847 HydrophobicContact CG1-CZ 4.03Å; V842-F847 HydrophobicContact CG2-CD2 4.12Å; V842-F847 HydrophobicContact CG2-CE2 3.43Å; V842-F847 VanDerWaalsContact CG2-CE2 3.43Å; V842-F847 HydrophobicContact CG2-CZ 3.73Å; V842-F847 PolarHBondContact N-O 3.43Å |
| 843 | R | 81.4 | Confident | 87.6 | Confident | 104 Ų | 104 | 38.8 Ų | 38.8 | 39% | 0.392 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -57.5 | -37 | -165.8 | -57 | -171 | 178.1 | 77.4 | -1.3 | 114.6 | Y549 Y739 R841 K845 G846 | Y549-R843 HydrophobicContact CE1-CB 4.37Å; Y549-R843 HydrophobicContact CE2-CB 3.81Å; Y549-R843 WeakPolarHBondContact OH-CB 3.43Å; Y739-R843 HydrophobicContact CD2-CB 3.89Å; Y739-R843 HydrophobicContact CD2-CG 3.9Å; Y739-R843 HydrophobicContact CE1-CG 4.48Å; Y739-R843 HydrophobicContact CE2-CB 4.11Å; Y739-R843 HydrophobicContact CE2-CG 3.57Å; Y739-R843 HydrophobicContact CG-CB 4.27Å; Y739-R843 HydrophobicContact CG-CG 4.48Å; Y739-R843 PolarHBondContact OH-NE 2.97Å; R841-R843 VanDerWaalsContact C-N 3.31Å; R841-R843 HydrophobicContact CB-CG 4.45Å; R841-R843 PolarHBondContact O-N 2.97Å; R843-K845 PolarHBondContact O-N 2.94Å; R843-G846 PolarHBondContact O-N 3.26Å |
| 844 | C | 68.4 | Low | 87.6 | Confident | 60 Ų | 60 | 37.3 Ų | 37.3 | 41% | 0.405 | 19% | 0.188 | S | C | . | . | G | 310 helix | trans | -67.7 | -19.9 | 175.3 | 51.6 | 0 | 0 | 0 | 0 | 113.9 | Y549 G554 L737 V842 | Y549-C844 HydrophobicContact CD1-CB 4Å; Y549-C844 HydrophobicContact CE1-CB 4.43Å; G554-C844 WeakPolarHBondContact O-CB 3.3Å; L737-C844 VanDerWaalsContact CD2-O 3.26Å; L737-C844 WeakPolarHBondContact CD2-O 3.46Å; V842-C844 VanDerWaalsContact C-N 3.3Å; V842-C844 PolarHBondContact O-N 3.06Å |
| 845 | K | 73.6 | Confident | 87.4 | Confident | 118 Ų | 118 | 38 Ų | 38 | 51% | 0.513 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -110.2 | 9.6 | 170.5 | -60.6 | -169.4 | 175.7 | -172.5 | 0 | 113 | L737 V842 R843 F847 | L737-K845 VanDerWaalsContact CD2-CA 3.48Å; V842-K845 HydrophobicContact CG1-CB 3.86Å; V842-K845 HydrophobicContact CG1-CD 4.31Å; V842-K845 HydrophobicContact CG1-CG 4.05Å; V842-K845 CarbonylContact O-C 3.52Å; V842-K845 VanDerWaalsContact O-C 3.31Å; V842-K845 WeakPolarHBondContact O-CA 3.49Å; V842-K845 PolarHBondContact O-N 3.27Å; R843-K845 PolarHBondContact O-N 2.94Å; K845-F847 HydrophobicContact CB-CD1 3.64Å; K845-F847 HydrophobicContact CB-CE1 3.43Å; K845-F847 VanDerWaalsContact CB-CE1 3.43Å; K845-F847 HydrophobicContact CB-CZ 4.43Å; K845-F847 HydrophobicContact CD-CE1 3.82Å; K845-F847 HydrophobicContact CD-CZ 4.47Å; K845-F847 HydrophobicContact CG-CE1 4.25Å; K845-F847 WeakPolarHBondContact O-CD1 3.12Å; K845-F847 PolarHBondContact O-N 2.85Å |
| 846 | G | 74.5 | Confident | 87.2 | Confident | 22 Ų | 22 | 42.1 Ų | 42.1 | 23% | 0.227 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | -19.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | V842 R843 | V842-G846 PolarHBondContact O-N 3.1Å; R843-G846 PolarHBondContact O-N 3.26Å |
| 847 | F | 85.6 | Confident | 86.8 | Confident | 13 Ų | 13 | 44.8 Ų | 44.8 | 6% | 0.057 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 169.5 | -178 | 69.1 | -101.6 | 0 | 0 | 0 | 114.3 | V842 K845 Q849 R881 F882 Y883 | V842-F847 HydrophobicContact CB-CD2 4.16Å; V842-F847 HydrophobicContact CB-CE1 4.21Å; V842-F847 HydrophobicContact CB-CE2 3.76Å; V842-F847 HydrophobicContact CB-CZ 3.79Å; V842-F847 HydrophobicContact CG1-CE1 4.29Å; V842-F847 HydrophobicContact CG1-CE2 4.49Å; V842-F847 HydrophobicContact CG1-CZ 4.03Å; V842-F847 HydrophobicContact CG2-CD2 4.12Å; V842-F847 HydrophobicContact CG2-CE2 3.43Å; V842-F847 VanDerWaalsContact CG2-CE2 3.43Å; V842-F847 HydrophobicContact CG2-CZ 3.73Å; V842-F847 PolarHBondContact N-O 3.43Å; K845-F847 HydrophobicContact CB-CD1 3.64Å; K845-F847 HydrophobicContact CB-CE1 3.43Å; K845-F847 VanDerWaalsContact CB-CE1 3.43Å; K845-F847 HydrophobicContact CB-CZ 4.43Å; K845-F847 HydrophobicContact CD-CE1 3.82Å; K845-F847 HydrophobicContact CD-CZ 4.47Å; K845-F847 HydrophobicContact CG-CE1 4.25Å; K845-F847 WeakPolarHBondContact O-CD1 3.12Å; K845-F847 PolarHBondContact O-N 2.85Å; F847-Q849 HydrophobicContact CD2-CG 4.22Å; F847-Q849 HydrophobicContact CE2-CG 4Å; F847-R881 HydrophobicContact CB-CB 3.87Å; F847-R881 HydrophobicContact CD1-CB 3.92Å; F847-R881 HydrophobicContact CD1-CG 3.92Å; F847-R881 HydrophobicContact CD2-CB 3.96Å; F847-R881 HydrophobicContact CD2-CG 3.99Å; F847-R881 HydrophobicContact CE1-CB 4.41Å; F847-R881 HydrophobicContact CE1-CG 3.89Å; F847-R881 HydrophobicContact CE2-CB 4.45Å; F847-R881 HydrophobicContact CE2-CG 3.97Å; F847-R881 HydrophobicContact CG-CB 3.68Å; F847-R881 HydrophobicContact CG-CG 3.98Å; F847-R881 HydrophobicContact CZ-CG 3.92Å; F847-F882 CarbonylContact C-O 3.41Å; F847-F882 VanDerWaalsContact CA-O 3.26Å; F847-F882 WeakPolarHBondContact CA-O 3.43Å; F847-F882 WeakPolarHBondContact CB-O 3.04Å; F847-Y883 HydrophobicContact CB-CD1 4.02Å; F847-Y883 HydrophobicContact CB-CE1 3.77Å; F847-Y883 HydrophobicContact CB-CE2 4.43Å; F847-Y883 HydrophobicContact CB-CG 4.46Å |
| 848 | L | 89.6 | Confident | 86.6 | Confident | 7 Ų | 7 | 47.1 Ų | 47.1 | 4% | 0.037 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 161.1 | 165.4 | 65.2 | 88 | 0 | 0 | 0 | 110.3 | L744 I839 N840 R841 L850 F882 P884 | L744-L848 HydrophobicContact CD1-CD2 3.91Å; I839-L848 HydrophobicContact CG2-CB 4.05Å; I839-L848 HydrophobicContact CG2-CD1 4.31Å; I839-L848 HydrophobicContact CG2-CD2 4.28Å; I839-L848 HydrophobicContact CG2-CG 4.48Å; N840-L848 VanDerWaalsContact O-CA 3.22Å; N840-L848 WeakPolarHBondContact O-CA 3.17Å; N840-L848 WeakPolarHBondContact O-CB 3.17Å; R841-L848 HydrophobicContact CG-CB 4.36Å; L848-L850 HydrophobicContact CD1-CD2 3.43Å; L848-L850 VanDerWaalsContact CD1-CD2 3.43Å; L848-L850 HydrophobicContact CD1-CG 3.92Å; L848-F882 HydrophobicContact CD1-CB 3.7Å; L848-F882 HydrophobicContact CD1-CG 4.42Å; L848-F882 HydrophobicContact CG-CB 3.98Å; L848-F882 PolarHBondContact N-O 3.39Å; L848-F882 PolarHBondContact O-N 2.62Å; L848-P884 HydrophobicContact CD2-CB 4.4Å; L848-P884 HydrophobicContact CD2-CG 3.68Å |
| 849 | Q | 91.7 | Very high | 86.4 | Confident | 8 Ų | 8 | 43.7 Ų | 43.7 | 4% | 0.037 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 148.3 | 169.2 | -66 | 163.9 | -50.5 | 0 | 0 | 109.1 | N840 F847 I859 S880 | N840-Q849 HydrophobicContact CB-CB 4.25Å; N840-Q849 PolarHBondContact N-O 2.91Å; N840-Q849 PolarHBondContact ND2-OE1 3.25Å; N840-Q849 PolarHBondContact O-N 3.34Å; F847-Q849 HydrophobicContact CD2-CG 4.22Å; F847-Q849 HydrophobicContact CE2-CG 4Å; Q849-I859 HydrophobicContact CB-CB 4.5Å; Q849-I859 HydrophobicContact CB-CG2 3.98Å; Q849-I859 HydrophobicContact CG-CD1 4.41Å; Q849-I859 VanDerWaalsContact NE2-CD1 3.29Å; Q849-S880 PolarHBondContact NE2-OG 3.32Å |
| 850 | L | 93.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 91.5 | -178.1 | -58.3 | -178.5 | 0 | 0 | 0 | 109.5 | L752 F808 L818 F837 I839 L848 I859 I860 F882 | L752-L850 HydrophobicContact CD1-CD1 4.2Å; F808-L850 HydrophobicContact CE2-CD1 4.42Å; F808-L850 HydrophobicContact CE2-CD2 3.72Å; F808-L850 HydrophobicContact CZ-CD2 3.76Å; L818-L850 HydrophobicContact CD2-CD1 4.35Å; F837-L850 HydrophobicContact CD1-CB 4.09Å; I839-L850 HydrophobicContact CD1-CD2 3.29Å; L848-L850 HydrophobicContact CD1-CD2 3.43Å; L848-L850 VanDerWaalsContact CD1-CD2 3.43Å; L848-L850 HydrophobicContact CD1-CG 3.92Å; L850-I859 WeakPolarHBondContact O-CA 3.16Å; L850-I860 HydrophobicContact CB-CB 4.35Å; L850-I860 HydrophobicContact CB-CD1 4.45Å; L850-I860 PolarHBondContact O-N 3.41Å; L850-F882 HydrophobicContact CD1-CD2 4.22Å; L850-F882 HydrophobicContact CD1-CE1 4.28Å; L850-F882 HydrophobicContact CD1-CE2 4Å; L850-F882 HydrophobicContact CD1-CG 4.47Å; L850-F882 HydrophobicContact CD1-CZ 4.03Å; L850-F882 HydrophobicContact CG-CD2 4.14Å; L850-F882 HydrophobicContact CG-CE2 4.23Å |
| 851 | S | 93 | Very high | 86.4 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 122.6 | 168.4 | -75.4 | 0 | 0 | 0 | 0 | 109.9 | F837 Q838 K858 I859 K873 | F837-S851 CarbonylContact C-O 3.57Å; F837-S851 VanDerWaalsContact CA-O 3.27Å; F837-S851 WeakPolarHBondContact CA-O 3.19Å; Q838-S851 PolarHBondContact N-O 2.82Å; Q838-S851 PolarHBondContact O-N 2.93Å; S851-K858 VanDerWaalsContact CA-O 3.31Å; S851-K858 WeakPolarHBondContact CA-O 3.45Å; S851-K858 VanDerWaalsContact CB-O 3.29Å; S851-K858 WeakPolarHBondContact CB-O 3.13Å; S851-K858 PolarHBondContact OG-O 3.47Å; S851-I859 WeakPolarHBondContact OG-CG2 3.38Å; S851-K873 WeakPolarHBondContact OG-CD 3.38Å; S851-K873 WeakPolarHBondContact OG-CE 3.44Å; S851-K873 PolarHBondContact OG-NZ 3.49Å |
| 852 | P | 92.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 143 | 171.1 | 27.6 | -32.3 | 0 | 0 | 0 | 110.1 | V820 F837 V854 N855 I856 | V820-P852 HydrophobicContact CB-CB 3.89Å; V820-P852 HydrophobicContact CB-CG 4.33Å; V820-P852 HydrophobicContact CG1-CB 4.25Å; V820-P852 HydrophobicContact CG1-CG 4.2Å; V820-P852 HydrophobicContact CG2-CB 3.84Å; V820-P852 HydrophobicContact CG2-CG 4.16Å; F837-P852 HydrophobicContact CD1-CB 4.23Å; F837-P852 HydrophobicContact CE1-CB 3.94Å; P852-V854 VanDerWaalsContact C-N 3.28Å; P852-V854 HydrophobicContact CB-CG2 4Å; P852-V854 PolarHBondContact O-N 2.88Å; P852-N855 HydrophobicContact CG-CB 4.46Å; P852-N855 CarbonylContact O-C 3.57Å; P852-N855 PolarHBondContact O-N 2.94Å; P852-I856 PolarHBondContact O-N 3.29Å |
| 853 | L | 90.1 | Very high | 86.4 | Confident | 56 Ų | 56 | 38.2 Ų | 38.2 | 29% | 0.293 | 20% | 0.195 | S | C | . | . | G | 310 helix | trans | -71.4 | -27.4 | -177.6 | -170.8 | 62.4 | 0 | 0 | 0 | 111.9 | I805 I833 Y836 N855 I856 | I805-L853 HydrophobicContact CD1-CD1 4.49Å; I805-L853 HydrophobicContact CD1-CD2 4.21Å; I833-L853 HydrophobicContact CD1-CD2 4.39Å; I833-L853 HydrophobicContact CG1-CD2 4.09Å; Y836-L853 HydrophobicContact CD2-CD2 3.89Å; Y836-L853 HydrophobicContact CG-CD2 4.43Å; Y836-L853 VanDerWaalsContact O-CB 3.31Å; Y836-L853 WeakPolarHBondContact O-CB 3.47Å; Y836-L853 PolarHBondContact O-N 2.72Å; L853-N855 VanDerWaalsContact C-N 3.3Å; L853-I856 HydrophobicContact CD1-CG2 4.17Å |
| 854 | V | 87.8 | Confident | 85.8 | Confident | 77 Ų | 77 | 37.8 Ų | 37.8 | 47% | 0.467 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -67.5 | -26.3 | 171.9 | -66.9 | 0 | 0 | 0 | 0 | 113.3 | I833 P852 | I833-V854 HydrophobicContact CG2-CG1 4.32Å; P852-V854 VanDerWaalsContact C-N 3.28Å; P852-V854 HydrophobicContact CB-CG2 4Å; P852-V854 PolarHBondContact O-N 2.88Å |
| 855 | N | 86.7 | Confident | 85.9 | Confident | 50 Ų | 50 | 38.6 Ų | 38.6 | 27% | 0.267 | 20% | 0.197 | S | C | . | . | G | 310 helix | trans | -144.2 | 83.6 | 172.9 | -170 | -15.5 | 0 | 0 | 0 | 111 | P852 L853 Q857 K858 | P852-N855 HydrophobicContact CG-CB 4.46Å; P852-N855 CarbonylContact O-C 3.57Å; P852-N855 PolarHBondContact O-N 2.94Å; L853-N855 VanDerWaalsContact C-N 3.3Å; N855-Q857 PolarHBondContact O-N 3.31Å; N855-Q857 PolarHBondContact OD1-N 3.29Å; N855-K858 HydrophobicContact CB-CG 4.47Å; N855-K858 WeakPolarHBondContact ND2-CG 3.37Å; N855-K858 PolarHBondContact O-N 2.57Å |
| 856 | I | 87.6 | Confident | 85.9 | Confident | 87 Ų | 87 | 33.3 Ų | 33.3 | 45% | 0.446 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -2.4 | -177.3 | 62.4 | 165.8 | 0 | 0 | 0 | 114.5 | P852 L853 K873 | P852-I856 PolarHBondContact O-N 3.29Å; L853-I856 HydrophobicContact CD1-CG2 4.17Å; I856-K873 WeakPolarHBondContact O-CD 3.46Å; I856-K873 WeakPolarHBondContact O-CE 3.02Å; I856-K873 PolarHBondContact O-NZ 3.25Å |
| 857 | Q | 87.2 | Confident | 86.3 | Confident | 117 Ų | 117 | 34.2 Ų | 34.2 | 55% | 0.547 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -11.8 | 171.4 | -68.3 | -178.5 | -16.9 | 0 | 0 | 112.8 | N855 K873 | N855-Q857 PolarHBondContact O-N 3.31Å; N855-Q857 PolarHBondContact OD1-N 3.29Å; Q857-K873 WeakPolarHBondContact O-CB 3.3Å; Q857-K873 PolarHBondContact O-N 3.06Å |
| 858 | K | 89.8 | Confident | 86.3 | Confident | 50 Ų | 50 | 34.7 Ų | 34.7 | 22% | 0.217 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 165.4 | 171.8 | -63.7 | -59 | -174.9 | -169.2 | 0 | 112.5 | S851 N855 L870 Y871 D872 | S851-K858 VanDerWaalsContact CA-O 3.31Å; S851-K858 WeakPolarHBondContact CA-O 3.45Å; S851-K858 VanDerWaalsContact CB-O 3.29Å; S851-K858 WeakPolarHBondContact CB-O 3.13Å; S851-K858 PolarHBondContact OG-O 3.47Å; N855-K858 HydrophobicContact CB-CG 4.47Å; N855-K858 WeakPolarHBondContact ND2-CG 3.37Å; N855-K858 PolarHBondContact O-N 2.57Å; K858-L870 HydrophobicContact CB-CB 4.21Å; K858-L870 HydrophobicContact CD-CB 4.43Å; K858-L870 HydrophobicContact CG-CB 4.29Å; K858-Y871 CarbonylContact C-O 3.59Å; K858-Y871 WeakPolarHBondContact CA-O 3.24Å; K858-Y871 WeakPolarHBondContact CD-O 3.46Å; K858-D872 IonicContact NZ-OD2 3.84Å; K858-D872 PolarHBondContact NZ-OD2 3.29Å |
| 859 | I | 90.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 139.9 | 168.3 | 54.2 | -178.4 | 0 | 0 | 0 | 109.3 | Q849 L850 S851 L870 Y871 K873 S880 | Q849-I859 HydrophobicContact CB-CB 4.5Å; Q849-I859 HydrophobicContact CB-CG2 3.98Å; Q849-I859 HydrophobicContact CG-CD1 4.41Å; Q849-I859 VanDerWaalsContact NE2-CD1 3.29Å; L850-I859 WeakPolarHBondContact O-CA 3.16Å; S851-I859 WeakPolarHBondContact OG-CG2 3.38Å; I859-L870 CarbonylContact O-C 3.58Å; I859-L870 WeakPolarHBondContact O-CA 3.37Å; I859-Y871 PolarHBondContact N-O 2.85Å; I859-Y871 PolarHBondContact O-N 3.37Å; I859-K873 HydrophobicContact CG2-CB 4.07Å; I859-K873 HydrophobicContact CG2-CD 4.49Å; I859-K873 HydrophobicContact CG2-CG 3.96Å; I859-S880 VanDerWaalsContact CD1-CB 3.46Å; I859-S880 WeakPolarHBondContact CD1-OG 3.47Å |
| 860 | I | 91.2 | Very high | 86 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 139.9 | 168.5 | -62.9 | 174.1 | 0 | 0 | 0 | 109 | L818 V820 V825 F837 L850 I868 T869 L870 F882 | L818-I860 HydrophobicContact CD1-CD1 4.44Å; L818-I860 HydrophobicContact CD2-CD1 4Å; L818-I860 HydrophobicContact CG-CD1 4.38Å; V820-I860 HydrophobicContact CG2-CD1 4.18Å; V820-I860 HydrophobicContact CG2-CG1 4.44Å; V825-I860 HydrophobicContact CG1-CD1 3.87Å; V825-I860 HydrophobicContact CG1-CG1 4.38Å; V825-I860 HydrophobicContact CG2-CG1 4.45Å; F837-I860 HydrophobicContact CD1-CD1 4.25Å; F837-I860 HydrophobicContact CE1-CD1 3.44Å; F837-I860 VanDerWaalsContact CE1-CD1 3.44Å; F837-I860 HydrophobicContact CE1-CG1 4.32Å; F837-I860 HydrophobicContact CZ-CD1 3.9Å; L850-I860 HydrophobicContact CB-CB 4.35Å; L850-I860 HydrophobicContact CB-CD1 4.45Å; L850-I860 PolarHBondContact O-N 3.41Å; I860-I868 HydrophobicContact CG2-CG2 3.81Å; I860-T869 WeakPolarHBondContact CA-O 3.41Å; I860-L870 HydrophobicContact CG1-CD2 3.79Å; I860-F882 HydrophobicContact CB-CE2 4.38Å; I860-F882 HydrophobicContact CG2-CE2 4.2Å; I860-F882 HydrophobicContact CG2-CZ 3.96Å; I860-F882 WeakPolarHBondContact O-CE2 3.47Å |
| 861 | G | 89.3 | Confident | 85.7 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 168.4 | 160.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | T869 N879 | G861-T869 PolarHBondContact N-O 3.18Å; G861-T869 PolarHBondContact O-N 3.21Å; G861-T869 VanDerWaalsContact O-N 3.07Å; G861-N879 CarbonylContact C-O 3.59Å; G861-N879 WeakPolarHBondContact CA-O 3.44Å |
| 862 | M | 88.1 | Confident | 85.3 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 118.1 | 173.7 | -60.5 | -174.6 | -154.2 | 0 | 0 | 108.5 | L752 T754 Q758 L760 A786 I868 N879 F882 | L752-M862 WeakPolarHBondContact O-CE 3.16Å; T754-M862 HydrophobicContact CG2-CB 4.09Å; T754-M862 HydrophobicContact CG2-CE 4.08Å; T754-M862 HydrophobicContact CG2-CG 3.93Å; T754-M862 HydrophobicContact CG2-SD 4.05Å; T754-M862 PolarHBondContact OG1-SD 2.7Å; T754-M862 VanDerWaalsContact OG1-SD 3.35Å; Q758-M862 HydrophobicContact CG-SD 3.77Å; L760-M862 HydrophobicContact CB-CE 3.77Å; L760-M862 HydrophobicContact CD1-CE 3.95Å; L760-M862 HydrophobicContact CG-CE 4.49Å; A786-M862 HydrophobicContact CB-CB 3.57Å; A786-M862 HydrophobicContact CB-CG 3.66Å; A786-M862 HydrophobicContact CB-SD 3.46Å; A786-M862 WeakPolarHBondContact CB-SD 3.46Å; M862-I868 HydrophobicContact CG-CG1 4.45Å; M862-N879 PolarHBondContact N-O 2.66Å; M862-N879 WeakPolarHBondContact O-CB 3.41Å; M862-N879 PolarHBondContact O-ND2 2.64Å; M862-F882 HydrophobicContact CE-CD1 4.07Å; M862-F882 HydrophobicContact CE-CE1 3.35Å; M862-F882 HydrophobicContact CE-CZ 3.98Å |
| 863 | N | 82.1 | Confident | 84.8 | Confident | 34 Ų | 34 | 44 Ų | 44 | 18% | 0.182 | 23% | 0.226 | C | C | . | . | trans | -63.4 | 168 | 172 | -81.4 | 5.8 | 0 | 0 | 0 | 110.4 | Q758 D865 T867 T869 Y871 | Q758-N863 PolarHBondContact NE2-O 3.27Å; N863-D865 WeakPolarHBondContact CB-OD1 3.47Å; N863-T867 WeakPolarHBondContact CB-O 3.21Å; N863-T867 WeakPolarHBondContact CB-OG1 3.44Å; N863-T867 PolarHBondContact N-O 3.07Å; N863-T867 PolarHBondContact ND2-OG1 2.9Å; N863-T869 WeakPolarHBondContact ND2-CG2 3.27Å; N863-T869 VanDerWaalsContact OD1-CG2 3.28Å; N863-T869 WeakPolarHBondContact OD1-CG2 3.41Å; N863-T869 PolarHBondContact OD1-OG1 2.91Å; N863-Y871 PolarHBondContact OD1-OH 3.15Å; N863-Y871 VanDerWaalsContact OD1-OH 3.05Å | ||
| 864 | E | 68.4 | Low | 84 | Confident | 94 Ų | 94 | 49.7 Ų | 49.7 | 44% | 0.439 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -49.3 | 171.9 | -48.1 | -150.1 | 142.7 | 0 | 0 | 110.6 | W347 R386 G866 | W347-E864 WeakPolarHBondContact CB-O 3.28Å; W347-E864 PolarHBondContact NE1-O 3.49Å; R386-E864 IonicContact CZ-OE1 2.78Å; R386-E864 IonicContact CZ-OE2 2.88Å; R386-E864 IonicContact NH1-OE1 2.75Å; R386-E864 PolarHBondContact NH1-OE1 3.06Å; R386-E864 IonicContact NH1-OE2 2.66Å; R386-E864 PolarHBondContact NH1-OE2 3.02Å; R386-E864 IonicContact NH2-OE1 3.8Å; E864-G866 PolarHBondContact O-N 2.84Å |
| 865 | D | 71.1 | Confident | 83 | Confident | 78 Ų | 78 | 48.4 Ų | 48.4 | 42% | 0.417 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 6.9 | -178.5 | 67.6 | 10.2 | 0 | 0 | 0 | 117.4 | W347 N863 T867 | W347-D865 VanDerWaalsContact NE1-CA 3.34Å; N863-D865 WeakPolarHBondContact CB-OD1 3.47Å; D865-T867 VanDerWaalsContact CG-OG1 3.29Å; D865-T867 PolarHBondContact O-N 3.13Å; D865-T867 WeakPolarHBondContact OD1-CA 3.24Å; D865-T867 WeakPolarHBondContact OD1-CB 3.36Å; D865-T867 WeakPolarHBondContact OD1-CG2 3.49Å; D865-T867 PolarHBondContact OD1-N 3.25Å; D865-T867 PolarHBondContact OD1-OG1 3.12Å; D865-T867 PolarHBondContact OD2-OG1 3.45Å |
| 866 | G | 73.8 | Confident | 81.8 | Confident | 6 Ų | 6 | 51.8 Ų | 51.8 | 6% | 0.062 | 25% | 0.253 | C | S | . | . | S | Bend | trans | 81.1 | -10.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | R785 A786 E864 | R785-G866 CarbonylContact C-O 3.58Å; R785-G866 WeakPolarHBondContact CA-O 3.41Å; R785-G866 WeakPolarHBondContact CD-O 3.32Å; A786-G866 PolarHBondContact N-O 2.95Å; E864-G866 PolarHBondContact O-N 2.84Å |
| 867 | T | 81.9 | Confident | 81.1 | Confident | 42 Ų | 42 | 51.2 Ų | 51.2 | 26% | 0.258 | 25% | 0.249 | S | C | . | . | trans | -77 | 169.8 | 175.7 | 73 | 0 | 0 | 0 | 0 | 111.6 | N863 D865 | N863-T867 WeakPolarHBondContact CB-O 3.21Å; N863-T867 WeakPolarHBondContact CB-OG1 3.44Å; N863-T867 PolarHBondContact N-O 3.07Å; N863-T867 PolarHBondContact ND2-OG1 2.9Å; D865-T867 VanDerWaalsContact CG-OG1 3.29Å; D865-T867 PolarHBondContact O-N 3.13Å; D865-T867 WeakPolarHBondContact OD1-CA 3.24Å; D865-T867 WeakPolarHBondContact OD1-CB 3.36Å; D865-T867 WeakPolarHBondContact OD1-CG2 3.49Å; D865-T867 PolarHBondContact OD1-N 3.25Å; D865-T867 PolarHBondContact OD1-OG1 3.12Å; D865-T867 PolarHBondContact OD2-OG1 3.45Å | ||
| 868 | I | 87.3 | Confident | 80.6 | Confident | 23 Ų | 23 | 51.3 Ų | 51.3 | 12% | 0.118 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 129.4 | -171.2 | -68.6 | 176.4 | 0 | 0 | 0 | 108.7 | L760 L784 A786 V825 I860 M862 | L760-I868 HydrophobicContact CD1-CD1 3.46Å; L760-I868 VanDerWaalsContact CD1-CD1 3.46Å; L784-I868 HydrophobicContact CB-CD1 3.94Å; L784-I868 HydrophobicContact CD2-CD1 3.56Å; L784-I868 HydrophobicContact CG-CD1 4.24Å; A786-I868 HydrophobicContact CB-CG1 4.4Å; V825-I868 HydrophobicContact CB-CG2 4.06Å; V825-I868 HydrophobicContact CG1-CG2 4.09Å; V825-I868 HydrophobicContact CG2-CG2 4.28Å; I860-I868 HydrophobicContact CG2-CG2 3.81Å; M862-I868 HydrophobicContact CG-CG1 4.45Å |
| 869 | T | 85.2 | Confident | 80.3 | Confident | 40 Ų | 40 | 50.4 Ų | 50.4 | 25% | 0.245 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 160.1 | -163.8 | 50.4 | 0 | 0 | 0 | 0 | 112 | I860 G861 N863 Y871 | I860-T869 WeakPolarHBondContact CA-O 3.41Å; G861-T869 PolarHBondContact N-O 3.18Å; G861-T869 PolarHBondContact O-N 3.21Å; G861-T869 VanDerWaalsContact O-N 3.07Å; N863-T869 WeakPolarHBondContact ND2-CG2 3.27Å; N863-T869 VanDerWaalsContact OD1-CG2 3.28Å; N863-T869 WeakPolarHBondContact OD1-CG2 3.41Å; N863-T869 PolarHBondContact OD1-OG1 2.91Å; T869-Y871 WeakPolarHBondContact OG1-CE2 3.21Å |
| 870 | L | 88.5 | Confident | 80.1 | Confident | 27 Ų | 27 | 50.4 Ų | 50.4 | 14% | 0.141 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 89.9 | 175.2 | -66.9 | 178.3 | 0 | 0 | 0 | 110.4 | V820 D823 V825 K858 I859 I860 | V820-L870 HydrophobicContact CG1-CD1 3.59Å; V820-L870 HydrophobicContact CG1-CD2 4.37Å; V820-L870 HydrophobicContact CG2-CD2 4.27Å; D823-L870 HydrophobicContact CB-CD1 3.99Å; D823-L870 WeakPolarHBondContact O-CD1 3.36Å; D823-L870 WeakPolarHBondContact OD1-CD1 3.36Å; V825-L870 HydrophobicContact CG2-CD1 4.46Å; V825-L870 HydrophobicContact CG2-CD2 3.82Å; V825-L870 HydrophobicContact CG2-CG 3.91Å; K858-L870 HydrophobicContact CB-CB 4.21Å; K858-L870 HydrophobicContact CD-CB 4.43Å; K858-L870 HydrophobicContact CG-CB 4.29Å; I859-L870 CarbonylContact O-C 3.58Å; I859-L870 WeakPolarHBondContact O-CA 3.37Å; I860-L870 HydrophobicContact CG1-CD2 3.79Å |
| 871 | Y | 86.8 | Confident | 80 | Confident | 45 Ų | 45 | 52.1 Ų | 52.1 | 18% | 0.176 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 158 | 170.9 | -65 | -79.7 | 0 | 0 | 0 | 111 | K858 I859 N863 T869 E877 N879 | K858-Y871 CarbonylContact C-O 3.59Å; K858-Y871 WeakPolarHBondContact CA-O 3.24Å; K858-Y871 WeakPolarHBondContact CD-O 3.46Å; I859-Y871 PolarHBondContact N-O 2.85Å; I859-Y871 PolarHBondContact O-N 3.37Å; N863-Y871 PolarHBondContact OD1-OH 3.15Å; N863-Y871 VanDerWaalsContact OD1-OH 3.05Å; T869-Y871 WeakPolarHBondContact OG1-CE2 3.21Å; Y871-E877 HydrophobicContact CD1-CB 4.32Å; Y871-E877 HydrophobicContact CD1-CG 3.62Å; Y871-E877 HydrophobicContact CE1-CB 4.46Å; Y871-E877 HydrophobicContact CE1-CG 3.91Å; Y871-E877 HydrophobicContact CG-CB 4.36Å; Y871-E877 HydrophobicContact CG-CG 4.03Å; Y871-N879 HydrophobicContact CE2-CB 3.87Å; Y871-N879 PolarHBondContact OH-ND2 3.17Å |
| 872 | D | 85.4 | Confident | 80 | Confident | 56 Ų | 56 | 52.1 Ų | 52.1 | 30% | 0.299 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 140.4 | 172.6 | -142.8 | -80.1 | 0 | 0 | 0 | 111.1 | K858 Y874 T875 | K858-D872 IonicContact NZ-OD2 3.84Å; K858-D872 PolarHBondContact NZ-OD2 3.29Å; D872-Y874 PolarHBondContact O-N 3.47Å; D872-T875 HydrophobicContact CB-CG2 4.26Å; D872-T875 PolarHBondContact O-N 2.97Å; D872-T875 PolarHBondContact O-OG1 2.79Å |
| 873 | K | 80.6 | Confident | 80 | Confident | 41 Ų | 41 | 53.7 Ų | 53.7 | 18% | 0.178 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -19.1 | -169.5 | -177.4 | 168.9 | -173.4 | 154.5 | 0 | 114.2 | S851 I856 Q857 I859 | S851-K873 WeakPolarHBondContact OG-CD 3.38Å; S851-K873 WeakPolarHBondContact OG-CE 3.44Å; S851-K873 PolarHBondContact OG-NZ 3.49Å; I856-K873 WeakPolarHBondContact O-CD 3.46Å; I856-K873 WeakPolarHBondContact O-CE 3.02Å; I856-K873 PolarHBondContact O-NZ 3.25Å; Q857-K873 WeakPolarHBondContact O-CB 3.3Å; Q857-K873 PolarHBondContact O-N 3.06Å; I859-K873 HydrophobicContact CG2-CB 4.07Å; I859-K873 HydrophobicContact CG2-CD 4.49Å; I859-K873 HydrophobicContact CG2-CG 3.96Å |
| 874 | Y | 74.8 | Confident | 80.4 | Confident | 176 Ų | 176 | 52.9 Ų | 52.9 | 69% | 0.69 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -15.9 | 178.1 | -56.5 | -77.1 | 0 | 0 | 0 | 113.1 | D872 | D872-Y874 PolarHBondContact O-N 3.47Š|
| 875 | T | 65.3 | Low | 81.4 | Confident | 50 Ų | 50 | 49.6 Ų | 49.6 | 31% | 0.307 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -72.4 | 132.8 | 170 | 63.1 | 0 | 0 | 0 | 0 | 108.9 | D872 E877 | D872-T875 HydrophobicContact CB-CG2 4.26Å; D872-T875 PolarHBondContact O-N 2.97Å; D872-T875 PolarHBondContact O-OG1 2.79Å; T875-E877 PolarHBondContact O-N 3.24Å; T875-E877 WeakPolarHBondContact OG1-CG 3.44Å |
| 876 | M | 61.7 | Low | 82.3 | Confident | 121 Ų | 121 | 46 Ų | 46 | 60% | 0.596 | 22% | 0.221 | S | C | * | . | trans | -83.6 | 27 | -173.2 | -76.2 | -69.6 | 103.3 | 0 | 0 | 113.1 | E878 R881 | M876-E878 PolarHBondContact O-N 2.84Å; M876-R881 PolarHBondContact O-NH2 3.31Å | ||
| 877 | E | 73.1 | Confident | 83 | Confident | 75 Ų | 75 | 48.2 Ų | 48.2 | 35% | 0.35 | 23% | 0.231 | S | C | . | . | trans | -53.2 | 126.4 | -167 | -62.4 | -58.7 | 150.3 | 0 | 0 | 113 | Y871 T875 N879 S880 | Y871-E877 HydrophobicContact CD1-CB 4.32Å; Y871-E877 HydrophobicContact CD1-CG 3.62Å; Y871-E877 HydrophobicContact CE1-CB 4.46Å; Y871-E877 HydrophobicContact CE1-CG 3.91Å; Y871-E877 HydrophobicContact CG-CB 4.36Å; Y871-E877 HydrophobicContact CG-CG 4.03Å; T875-E877 PolarHBondContact O-N 3.24Å; T875-E877 WeakPolarHBondContact OG1-CG 3.44Å; E877-N879 PolarHBondContact O-N 2.81Å; E877-S880 WeakPolarHBondContact O-CB 3.33Å; E877-S880 PolarHBondContact O-N 2.88Å; E877-S880 VanDerWaalsContact O-N 3.07Å; E877-S880 PolarHBondContact O-OG 2.96Å | ||
| 878 | E | 77.6 | Confident | 83.3 | Confident | 119 Ų | 119 | 52.9 Ų | 52.9 | 56% | 0.556 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -54.7 | -44.4 | 175.5 | -51.6 | -87.7 | 129.7 | 0 | 0 | 109.6 | M876 S880 R881 | M876-E878 PolarHBondContact O-N 2.84Å; E878-S880 PolarHBondContact O-N 2.76Å; E878-R881 VanDerWaalsContact CD-CZ 3.45Å; E878-R881 VanDerWaalsContact O-CB 3.29Å; E878-R881 WeakPolarHBondContact O-CB 3.42Å; E878-R881 WeakPolarHBondContact O-CG 3.46Å; E878-R881 PolarHBondContact O-N 2.72Å; E878-R881 IonicContact OE1-CZ 3.42Å; E878-R881 IonicContact OE1-NH1 2.65Å; E878-R881 PolarHBondContact OE1-NH1 3.02Å; E878-R881 IonicContact OE1-NH2 2.59Å; E878-R881 PolarHBondContact OE1-NH2 3.43Å; E878-R881 IonicContact OE2-CZ 3.63Å; E878-R881 IonicContact OE2-NH1 2.72Å; E878-R881 PolarHBondContact OE2-NH1 2.92Å |
| 879 | N | 83.4 | Confident | 83.2 | Confident | 32 Ų | 32 | 55.3 Ų | 55.3 | 17% | 0.171 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -57.2 | -15.5 | 176.4 | -70.2 | 5.6 | 0 | 0 | 0 | 115.3 | T754 G861 M862 Y871 E877 | T754-N879 WeakPolarHBondContact CG2-O 3.02Å; G861-N879 CarbonylContact C-O 3.59Å; G861-N879 WeakPolarHBondContact CA-O 3.44Å; M862-N879 PolarHBondContact N-O 2.66Å; M862-N879 WeakPolarHBondContact O-CB 3.41Å; M862-N879 PolarHBondContact O-ND2 2.64Å; Y871-N879 HydrophobicContact CE2-CB 3.87Å; Y871-N879 PolarHBondContact OH-ND2 3.17Å; E877-N879 PolarHBondContact O-N 2.81Å |
| 880 | S | 87 | Confident | 83.1 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -94.1 | -5.7 | 177 | 76.6 | 0 | 0 | 0 | 0 | 114.3 | Q849 I859 E877 E878 F882 | Q849-S880 PolarHBondContact NE2-OG 3.32Å; I859-S880 VanDerWaalsContact CD1-CB 3.46Å; I859-S880 WeakPolarHBondContact CD1-OG 3.47Å; E877-S880 WeakPolarHBondContact O-CB 3.33Å; E877-S880 PolarHBondContact O-N 2.88Å; E877-S880 VanDerWaalsContact O-N 3.07Å; E877-S880 PolarHBondContact O-OG 2.96Å; E878-S880 PolarHBondContact O-N 2.76Å; S880-F882 WeakPolarHBondContact O-CD2 3.13Å; S880-F882 PolarHBondContact O-N 2.86Å |
| 881 | R | 87.7 | Confident | 82.6 | Confident | 36 Ų | 36 | 60 Ų | 60 | 14% | 0.136 | 28% | 0.275 | C | S | . | . | trans | -91.8 | 87 | -166.6 | -58.9 | 177.1 | -167.8 | 161.7 | 7.4 | 111.6 | F847 M876 E878 Y883 | F847-R881 HydrophobicContact CB-CB 3.87Å; F847-R881 HydrophobicContact CD1-CB 3.92Å; F847-R881 HydrophobicContact CD1-CG 3.92Å; F847-R881 HydrophobicContact CD2-CB 3.96Å; F847-R881 HydrophobicContact CD2-CG 3.99Å; F847-R881 HydrophobicContact CE1-CB 4.41Å; F847-R881 HydrophobicContact CE1-CG 3.89Å; F847-R881 HydrophobicContact CE2-CB 4.45Å; F847-R881 HydrophobicContact CE2-CG 3.97Å; F847-R881 HydrophobicContact CG-CB 3.68Å; F847-R881 HydrophobicContact CG-CG 3.98Å; F847-R881 HydrophobicContact CZ-CG 3.92Å; M876-R881 PolarHBondContact O-NH2 3.31Å; E878-R881 VanDerWaalsContact CD-CZ 3.45Å; E878-R881 VanDerWaalsContact O-CB 3.29Å; E878-R881 WeakPolarHBondContact O-CB 3.42Å; E878-R881 WeakPolarHBondContact O-CG 3.46Å; E878-R881 PolarHBondContact O-N 2.72Å; E878-R881 IonicContact OE1-CZ 3.42Å; E878-R881 IonicContact OE1-NH1 2.65Å; E878-R881 PolarHBondContact OE1-NH1 3.02Å; E878-R881 IonicContact OE1-NH2 2.59Å; E878-R881 PolarHBondContact OE1-NH2 3.43Å; E878-R881 IonicContact OE2-CZ 3.63Å; E878-R881 IonicContact OE2-NH1 2.72Å; E878-R881 PolarHBondContact OE2-NH1 2.92Å; R881-Y883 HydrophobicContact CB-CE2 4.18Å; R881-Y883 WeakPolarHBondContact O-CD2 3.42Å; R881-Y883 VanDerWaalsContact O-CE2 3.27Å; R881-Y883 WeakPolarHBondContact O-CE2 3.29Å; R881-Y883 PolarHBondContact O-N 2.75Å | ||
| 882 | F | 90.3 | Very high | 81.3 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | B | Isolated β-bridge | trans | -74.1 | 123.1 | 178.4 | -72.4 | -95.8 | 0 | 0 | 0 | 112.5 | L752 C753 L760 F847 L848 L850 I860 M862 S880 P884 | L752-F882 HydrophobicContact CB-CD1 3.76Å; L752-F882 HydrophobicContact CB-CE1 3.89Å; L752-F882 HydrophobicContact CD2-CD1 4.02Å; L752-F882 HydrophobicContact CG-CD1 4.38Å; C753-F882 CarbonylContact O-C 3.55Å; C753-F882 WeakPolarHBondContact O-CA 3.17Å; L760-F882 HydrophobicContact CD1-CE1 4.46Å; F847-F882 CarbonylContact C-O 3.41Å; F847-F882 VanDerWaalsContact CA-O 3.26Å; F847-F882 WeakPolarHBondContact CA-O 3.43Å; F847-F882 WeakPolarHBondContact CB-O 3.04Å; L848-F882 HydrophobicContact CD1-CB 3.7Å; L848-F882 HydrophobicContact CD1-CG 4.42Å; L848-F882 HydrophobicContact CG-CB 3.98Å; L848-F882 PolarHBondContact N-O 3.39Å; L848-F882 PolarHBondContact O-N 2.62Å; L850-F882 HydrophobicContact CD1-CD2 4.22Å; L850-F882 HydrophobicContact CD1-CE1 4.28Å; L850-F882 HydrophobicContact CD1-CE2 4Å; L850-F882 HydrophobicContact CD1-CG 4.47Å; L850-F882 HydrophobicContact CD1-CZ 4.03Å; L850-F882 HydrophobicContact CG-CD2 4.14Å; L850-F882 HydrophobicContact CG-CE2 4.23Å; I860-F882 HydrophobicContact CB-CE2 4.38Å; I860-F882 HydrophobicContact CG2-CE2 4.2Å; I860-F882 HydrophobicContact CG2-CZ 3.96Å; I860-F882 WeakPolarHBondContact O-CE2 3.47Å; M862-F882 HydrophobicContact CE-CD1 4.07Å; M862-F882 HydrophobicContact CE-CE1 3.35Å; M862-F882 HydrophobicContact CE-CZ 3.98Å; S880-F882 WeakPolarHBondContact O-CD2 3.13Å; S880-F882 PolarHBondContact O-N 2.86Å; F882-P884 WeakPolarHBondContact O-CD 3.24Å |
| 883 | Y | 88.1 | Confident | 79.4 | Confident | 33 Ų | 33 | 63.3 Ų | 63.3 | 13% | 0.129 | 31% | 0.309 | C | S | . | . | trans | -104 | 93.9 | 168.2 | -56.1 | -88 | 0 | 0 | 0 | 109.3 | R694 C753 T754 F847 R881 E885 | R694-Y883 HydrophobicContact CG-CD1 3.9Å; R694-Y883 HydrophobicContact CG-CE1 4.01Å; R694-Y883 HydrophobicContact CG-CG 4.27Å; C753-Y883 PolarHBondContact O-N 3.11Å; T754-Y883 WeakPolarHBondContact O-CD2 3.32Å; T754-Y883 VanDerWaalsContact O-CE2 3.3Å; T754-Y883 WeakPolarHBondContact O-CE2 3.41Å; F847-Y883 HydrophobicContact CB-CD1 4.02Å; F847-Y883 HydrophobicContact CB-CE1 3.77Å; F847-Y883 HydrophobicContact CB-CE2 4.43Å; F847-Y883 HydrophobicContact CB-CG 4.46Å; R881-Y883 HydrophobicContact CB-CE2 4.18Å; R881-Y883 WeakPolarHBondContact O-CD2 3.42Å; R881-Y883 VanDerWaalsContact O-CE2 3.27Å; R881-Y883 WeakPolarHBondContact O-CE2 3.29Å; R881-Y883 PolarHBondContact O-N 2.75Å; Y883-E885 PolarHBondContact O-N 3.27Å | ||
| 884 | P | 89.8 | Confident | 77 | Confident | 16 Ų | 16 | 66.7 Ų | 66.7 | 10% | 0.104 | 34% | 0.335 | C | S | . | . | trans | -69.6 | 129.7 | -175.5 | 28.7 | -37 | 0 | 0 | 0 | 112.1 | W538 C743 L750 W751 L848 F882 | W538-P884 WeakPolarHBondContact CH2-O 3.05Å; W538-P884 WeakPolarHBondContact CZ2-O 3.48Å; C743-P884 HydrophobicContact CB-CG 4.4Å; L750-P884 HydrophobicContact CD1-CB 4.49Å; L750-P884 HydrophobicContact CD2-CB 4.07Å; W751-P884 WeakPolarHBondContact O-CA 3.32Å; L848-P884 HydrophobicContact CD2-CB 4.4Å; L848-P884 HydrophobicContact CD2-CG 3.68Å; F882-P884 WeakPolarHBondContact O-CD 3.24Å | ||
| 885 | E | 89.3 | Confident | 74.9 | Confident | 26 Ų | 26 | 67.5 Ų | 67.5 | 12% | 0.121 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 116.9 | 174.9 | 171.8 | 149.7 | 178.5 | 0 | 0 | 111.3 | W538 L750 W751 Y883 I887 | W538-E885 VanDerWaalsContact CD1-CG 3.46Å; W538-E885 HydrophobicContact CD2-CG 4.21Å; W538-E885 HydrophobicContact CG-CG 3.96Å; W538-E885 HydrophobicContact CZ2-CB 4.39Å; W538-E885 PolarHBondContact NE1-OE2 2.88Å; L750-E885 CarbonylContact C-O 3.56Å; L750-E885 WeakPolarHBondContact CA-O 3.5Å; L750-E885 WeakPolarHBondContact CB-O 3.25Å; W751-E885 HydrophobicContact CE3-CB 4.25Å; W751-E885 HydrophobicContact CE3-CG 3.89Å; W751-E885 HydrophobicContact CZ3-CG 4.31Å; W751-E885 PolarHBondContact N-O 2.9Å; W751-E885 PolarHBondContact O-N 3.13Å; W751-E885 VanDerWaalsContact O-N 3.08Å; Y883-E885 PolarHBondContact O-N 3.27Å; E885-I887 PolarHBondContact O-N 2.9Å |
| 886 | V | 89.9 | Confident | 73 | Confident | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.006 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 114.4 | -173.6 | -176.9 | 0 | 0 | 0 | 0 | 112.2 | W538 C743 T748 Y889 | W538-V886 HydrophobicContact CE3-CB 3.9Å; W538-V886 HydrophobicContact CE3-CG2 4.3Å; W538-V886 HydrophobicContact CH2-CG2 4.16Å; W538-V886 HydrophobicContact CZ3-CB 3.77Å; W538-V886 HydrophobicContact CZ3-CG2 3.65Å; C743-V886 HydrophobicContact CB-CG2 3.52Å; T748-V886 HydrophobicContact CG2-CG1 3.88Å; T748-V886 HydrophobicContact CG2-CG2 4.42Å; V886-Y889 HydrophobicContact CB-CE1 4.28Å; V886-Y889 HydrophobicContact CG1-CD1 3.8Å; V886-Y889 HydrophobicContact CG1-CD2 4.19Å; V886-Y889 HydrophobicContact CG1-CE1 3.83Å; V886-Y889 HydrophobicContact CG1-CE2 4.23Å; V886-Y889 HydrophobicContact CG1-CG 3.98Å; V886-Y889 HydrophobicContact CG2-CE1 4.25Å |
| 887 | I | 89.3 | Confident | 71.3 | Confident | 54 Ų | 54 | 73.8 Ų | 73.8 | 28% | 0.277 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | -55.8 | 172.5 | -50.4 | -58.5 | 0 | 0 | 0 | 109.7 | I749 W751 Y795 E885 | I749-I887 HydrophobicContact CG2-CB 4.36Å; I749-I887 PolarHBondContact O-N 2.86Å; W751-I887 HydrophobicContact CD2-CD1 4.02Å; W751-I887 HydrophobicContact CE3-CD1 3.7Å; W751-I887 HydrophobicContact CH2-CD1 3.94Å; W751-I887 HydrophobicContact CZ2-CD1 4.26Å; W751-I887 HydrophobicContact CZ3-CD1 3.65Å; Y795-I887 HydrophobicContact CD1-CG1 4.03Å; Y795-I887 HydrophobicContact CE1-CD1 3.85Å; Y795-I887 HydrophobicContact CE1-CG1 3.62Å; Y795-I887 HydrophobicContact CE1-CG2 4.36Å; E885-I887 PolarHBondContact O-N 2.9Å |
| 888 | K | 88 | Confident | 69 | Low | 139 Ų | 139 | 77.5 Ų | 77.5 | 60% | 0.604 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136 | 121.3 | -177.5 | -175.3 | 178.9 | -179.3 | 178.5 | 0 | 110.3 | T748 I749 | T748-K888 WeakPolarHBondContact CA-O 3.43Å; T748-K888 WeakPolarHBondContact CG2-O 3.31Å; I749-K888 HydrophobicContact CB-CB 4.24Å; I749-K888 HydrophobicContact CD1-CD 4.37Å; I749-K888 PolarHBondContact N-O 2.84Å; I749-K888 PolarHBondContact O-N 3.44Å; I749-K888 VanDerWaalsContact O-N 3.13Å |
| 889 | Y | 85.3 | Confident | 66.5 | Low | 75 Ų | 75 | 78.6 Ų | 78.6 | 29% | 0.294 | 41% | 0.405 | S | S | . | . | trans | -69.1 | 135.6 | 177.1 | -72.9 | -77.8 | 0 | 0 | 0 | 112 | T544 V740 V886 | T544-Y889 VanDerWaalsContact CG2-OH 3.22Å; T544-Y889 WeakPolarHBondContact CG2-OH 3.34Å; T544-Y889 PolarHBondContact OG1-OH 2.75Å; V740-Y889 HydrophobicContact CG1-CE1 4.22Å; V740-Y889 WeakPolarHBondContact CG1-OH 3.48Å; V886-Y889 HydrophobicContact CB-CE1 4.28Å; V886-Y889 HydrophobicContact CG1-CD1 3.8Å; V886-Y889 HydrophobicContact CG1-CD2 4.19Å; V886-Y889 HydrophobicContact CG1-CE1 3.83Å; V886-Y889 HydrophobicContact CG1-CE2 4.23Å; V886-Y889 HydrophobicContact CG1-CG 3.98Å; V886-Y889 HydrophobicContact CG2-CE1 4.25Å | ||
| 890 | G | 82.8 | Confident | 63.8 | Low | 8 Ų | 8 | 83.4 Ų | 83.4 | 8% | 0.082 | 44% | 0.441 | C | S | . | . | trans | -79.9 | 175.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | R745 D746 T748 | R745-G890 WeakPolarHBondContact CD-O 3.26Å; D746-G890 CarbonylContact O-C 3.59Å; D746-G890 WeakPolarHBondContact O-CA 3.39Å; T748-G890 PolarHBondContact OG1-N 3.14Å; T748-G890 VanDerWaalsContact OG1-N 3.13Å | ||
| 891 | F | 77.5 | Confident | 60.9 | Low | 157 Ų | 157 | 87.9 Ų | 87.9 | 69% | 0.689 | 47% | 0.472 | S | S | * | . | B | Isolated β-bridge | trans | -66.7 | 139.9 | -175.2 | -59.8 | -65.8 | 0 | 0 | 0 | 112.8 | R745 D746 Q747 | R745-F891 WeakPolarHBondContact CB-O 3.34Å; D746-F891 PolarHBondContact O-N 2.79Å; Q747-F891 HydrophobicContact CB-CD2 3.97Å; Q747-F891 HydrophobicContact CB-CE2 4.08Å; Q747-F891 HydrophobicContact CG-CD2 3.73Å; Q747-F891 HydrophobicContact CG-CE2 3.77Å |
| 892 | S | 60.4 | Low | 58.1 | Low | 85 Ų | 85 | 92.7 Ų | 92.7 | 59% | 0.594 | 51% | 0.51 | S | S | * | . | P | Polyproline II helix | trans | -87.6 | 119 | 163 | 48.3 | 0 | 0 | 0 | 0 | 109.3 | ||
| 893 | S | 45.8 | Very low | 55 | Low | 85 Ų | 85 | 100.1 Ų | 100.1 | 59% | 0.594 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -54 | 128.8 | 174.3 | 51.9 | 0 | 0 | 0 | 0 | 110.9 | Q895 | S893-Q895 PolarHBondContact O-N 3.16Š|
| 894 | P | 30.8 | Very low | 52.1 | Low | 113 Ų | 113 | 103.8 Ų | 103.8 | 73% | 0.734 | 57% | 0.574 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 131.8 | 175.8 | -24.9 | 34.2 | 0 | 0 | 0 | 111.4 | T896 | P894-T896 VanDerWaalsContact C-N 3.28Å; P894-T896 PolarHBondContact O-N 3Å |
| 895 | Q | 29.1 | Very low | 49.1 | Very low | 192 Ų | 192 | 109.7 Ų | 109.7 | 90% | 0.897 | 61% | 0.605 | S | S | * | * | trans | -85.8 | 76.5 | 165.1 | -78.8 | -167.7 | -30.7 | 0 | 0 | 109 | S893 K897 | S893-Q895 PolarHBondContact O-N 3.16Å; Q895-K897 PolarHBondContact O-N 2.97Å | ||
| 896 | T | 25.9 | Very low | 46.3 | Very low | 105 Ų | 105 | 119.9 Ų | 119.9 | 64% | 0.644 | 64% | 0.643 | S | S | * | * | trans | -65.3 | 105.1 | 170.6 | -42.7 | 0 | 0 | 0 | 0 | 108.6 | P894 L898 | P894-T896 VanDerWaalsContact C-N 3.28Å; P894-T896 PolarHBondContact O-N 3Å; T896-L898 HydrophobicContact CG2-CD1 4.17Å; T896-L898 HydrophobicContact CG2-CG 3.97Å; T896-L898 PolarHBondContact O-N 2.94Å | ||
| 897 | K | 25.6 | Very low | 43.2 | Very low | 199 Ų | 199 | 126 Ų | 126 | 87% | 0.865 | 68% | 0.68 | S | S | * | * | trans | -70.4 | 77 | 164.3 | -79.3 | -172.9 | 174.1 | -177 | 0 | 108.9 | Q895 N899 | Q895-K897 PolarHBondContact O-N 2.97Å; K897-N899 PolarHBondContact O-N 2.86Å | ||
| 898 | L | 25 | Very low | 40.3 | Very low | 153 Ų | 153 | 129.1 Ų | 129.1 | 80% | 0.801 | 70% | 0.702 | S | S | * | * | trans | -72.4 | 120 | 162.4 | -89.4 | 158.1 | 0 | 0 | 0 | 107.8 | T896 | T896-L898 HydrophobicContact CG2-CD1 4.17Å; T896-L898 HydrophobicContact CG2-CG 3.97Å; T896-L898 PolarHBondContact O-N 2.94Å | ||
| 899 | N | 26.4 | Very low | 37.4 | Very low | 142 Ų | 142 | 128.7 Ų | 128.7 | 76% | 0.759 | 71% | 0.706 | S | S | * | * | trans | -65.8 | 142.2 | 178.2 | -74.1 | -24.1 | 0 | 0 | 0 | 110.3 | K897 S901 | K897-N899 PolarHBondContact O-N 2.86Å; N899-S901 PolarHBondContact O-N 2.85Å | ||
| 900 | S | 25.4 | Very low | 34.6 | Very low | 132 Ų | 132 | 131.7 Ų | 131.7 | 92% | 0.923 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -77.9 | 85.5 | -175.2 | 54.7 | 0 | 0 | 0 | 0 | 112.4 | ||
| 901 | S | 27.8 | Very low | 31.9 | Very low | 94 Ų | 94 | 138.5 Ų | 138.5 | 66% | 0.657 | 76% | 0.761 | S | S | * | * | trans | -150.9 | 155.2 | 165.2 | 53.9 | 0 | 0 | 0 | 0 | 109.7 | N899 | N899-S901 PolarHBondContact O-N 2.85Š| ||
| 902 | C | 27.7 | Very low | 29.6 | Very low | 137 Ų | 137 | 136.1 Ų | 136.1 | 93% | 0.926 | 76% | 0.761 | S | S | * | * | trans | 76.1 | 96.8 | -168.5 | -56.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 903 | L | 25.4 | Very low | 28.1 | Very low | 157 Ų | 157 | 140.1 Ų | 140.1 | 82% | 0.822 | 77% | 0.77 | S | S | * | * | trans | -99 | 159.5 | -176.9 | -96.1 | 161.9 | 0 | 0 | 0 | 112.3 | ||||
| 904 | T | 26.5 | Very low | 27.2 | Very low | 109 Ų | 109 | 141.7 Ų | 141.7 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | trans | 70.5 | 144.2 | 150 | 50.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 905 | N | 27.7 | Very low | 27 | Very low | 141 Ų | 141 | 142.9 Ų | 142.9 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | trans | 68.8 | 114.9 | 148 | -64.1 | -12.6 | 0 | 0 | 0 | 117.2 | ||||
| 906 | R | 29.3 | Very low | 26.9 | Very low | 240 Ų | 240 | 141 Ų | 141 | 91% | 0.906 | 77% | 0.772 | S | S | * | * | cis | -149.4 | 159.6 | 28.9 | -92.3 | 158.3 | 178.9 | 167.4 | -1.6 | 113.5 | ||||
| 907 | T | 25.3 | Very low | 27 | Very low | 128 Ų | 128 | 141.1 Ų | 141.1 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | trans | -76.4 | 159.1 | 160.6 | 36.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 908 | V | 29.3 | Very low | 27 | Very low | 121 Ų | 121 | 138.9 Ų | 138.9 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | 158.7 | 127.7 | 125.4 | 159.2 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 909 | N | 27.2 | Very low | 27.2 | Very low | 130 Ų | 130 | 136.7 Ų | 136.7 | 70% | 0.695 | 77% | 0.772 | S | S | * | * | trans | 50.7 | 119.8 | 153.2 | -68.6 | -0.8 | 0 | 0 | 0 | 125.1 | ||||
| 910 | L | 26.4 | Very low | 27.4 | Very low | 138 Ų | 138 | 137.1 Ų | 137.1 | 72% | 0.723 | 77% | 0.773 | S | S | * | * | 71.4 | 119.7 | 117.3 | -61.3 | 171.4 | 0 | 0 | 0 | 122.6 | |||||
| 911 | N | 25.5 | Very low | 27.5 | Very low | 150 Ų | 150 | 137.3 Ų | 137.3 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | trans | 82.7 | 146.7 | 139.5 | -73.8 | 5.9 | 0 | 0 | 0 | 121.1 | ||||
| 912 | P | 29.4 | Very low | 27.8 | Very low | 108 Ų | 108 | 139 Ų | 139 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | trans | -112.2 | 148.9 | -168.4 | 39.9 | -28.2 | 0 | 0 | 0 | 114.1 | ||||
| 913 | Q | 27.8 | Very low | 28 | Very low | 168 Ų | 168 | 138.5 Ų | 138.5 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | trans | -145.5 | 127.9 | 156 | -84.2 | -58.5 | -25 | 0 | 0 | 109.9 | ||||
| 914 | P | 28 | Very low | 28.6 | Very low | 118 Ų | 118 | 137.5 Ų | 137.5 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | trans | -99.7 | 119.4 | 175 | 34.6 | -27.6 | 0 | 0 | 0 | 111.6 | ||||
| 915 | I | 27.1 | Very low | 28.9 | Very low | 138 Ų | 138 | 139.2 Ų | 139.2 | 71% | 0.708 | 75% | 0.754 | S | S | * | * | trans | -136.2 | 119.9 | 177.1 | -64.6 | -176 | 0 | 0 | 0 | 109.9 | ||||
| 916 | I | 26.3 | Very low | 29.4 | Very low | 153 Ų | 153 | 136.1 Ų | 136.1 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | 26.8 | 129.5 | 129.3 | -51.5 | 170.4 | 0 | 0 | 0 | 115.5 | |||||
| 917 | S | 28.5 | Very low | 29.6 | Very low | 107 Ų | 107 | 133.5 Ų | 133.5 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | cis | -158.7 | 170.4 | 32.6 | 23.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 918 | N | 26 | Very low | 30.2 | Very low | 153 Ų | 153 | 135.6 Ų | 135.6 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | -47.7 | 150.5 | 160.6 | -44 | -31.5 | 0 | 0 | 0 | 113.7 | ||||
| 919 | S | 29.1 | Very low | 30.5 | Very low | 106 Ų | 106 | 138.2 Ų | 138.2 | 74% | 0.741 | 76% | 0.764 | S | S | * | * | -176.1 | 154 | 110.8 | 50.4 | 0 | 0 | 0 | 0 | 113 | |||||
| 920 | L | 28.8 | Very low | 30.8 | Very low | 152 Ų | 152 | 137 Ų | 137 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | trans | 23.1 | 152.7 | 143.6 | -78.2 | 86 | 0 | 0 | 0 | 120.9 | ||||
| 921 | L | 29 | Very low | 31.2 | Very low | 135 Ų | 135 | 136.1 Ų | 136.1 | 71% | 0.707 | 75% | 0.75 | S | S | * | * | cis | -175.7 | -167.9 | -22.8 | -126.6 | 177.2 | 0 | 0 | 0 | 105 | ||||
| 922 | D | 33.1 | Very low | 31.6 | Very low | 129 Ų | 129 | 135.5 Ų | 135.5 | 69% | 0.69 | 74% | 0.74 | S | S | * | * | trans | 68.9 | 145.2 | 160.9 | -59.7 | -35.1 | 0 | 0 | 0 | 118.4 | ||||
| 923 | N | 32 | Very low | 31.7 | Very low | 127 Ų | 127 | 139 Ų | 139 | 68% | 0.679 | 74% | 0.744 | S | S | * | * | cis | -160.3 | -169.1 | -35.1 | -130.7 | -51.5 | 0 | 0 | 0 | 108.5 | ||||
| 924 | D | 37.6 | Very low | 31.8 | Very low | 137 Ų | 137 | 138 Ų | 138 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | trans | 71.4 | 152.4 | 170.8 | -64.1 | -37.3 | 0 | 0 | 0 | 118 | ||||
| 925 | N | 33.8 | Very low | 31.7 | Very low | 144 Ų | 144 | 140.7 Ų | 140.7 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | cis | -177.6 | 146.7 | -43.4 | -108.6 | -40.6 | 0 | 0 | 0 | 106 | ||||
| 926 | G | 37 | Very low | 31.7 | Very low | 77 Ų | 77 | 143.1 Ų | 143.1 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | trans | 153.5 | 97.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 927 | E | 33.6 | Very low | 31.8 | Very low | 185 Ų | 185 | 145.6 Ų | 145.6 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | trans | -86.9 | 155.6 | -177.9 | -60.8 | 164.8 | 127.8 | 0 | 0 | 111.4 | ||||
| 928 | D | 38.6 | Very low | 31.7 | Very low | 171 Ų | 171 | 149.5 Ų | 149.5 | 91% | 0.914 | 77% | 0.771 | S | S | * | * | -166 | 150.2 | 127.9 | -108.5 | -27 | 0 | 0 | 0 | 112.8 | |||||
| 929 | E | 36.1 | Very low | 31.8 | Very low | 176 Ų | 176 | 147.9 Ų | 147.9 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | trans | -85.9 | 173.7 | -173.6 | -90 | -162.5 | 158.7 | 0 | 0 | 113.7 | ||||
| 930 | E | 33.6 | Very low | 31.8 | Very low | 106 Ų | 106 | 152.5 Ų | 152.5 | 50% | 0.495 | 78% | 0.779 | S | S | . | * | cis | -168 | 146.1 | -21.8 | -176 | -143.3 | -162.2 | 0 | 0 | 106.1 | K932 | E930-K932 VanDerWaalsContact OE1-CE 3.31Å; E930-K932 WeakPolarHBondContact OE1-CE 3.19Å; E930-K932 IonicContact OE1-NZ 3.8Å; E930-K932 PolarHBondContact OE1-NZ 2.84Å; E930-K932 IonicContact OE2-NZ 3.67Å; E930-K932 PolarHBondContact OE2-NZ 2.92Å | ||
| 931 | N | 33.6 | Very low | 31.9 | Very low | 118 Ų | 118 | 152 Ų | 152 | 63% | 0.631 | 78% | 0.776 | S | S | * | * | 170.1 | 112 | 127.8 | -97.8 | -80.7 | 0 | 0 | 0 | 115.3 | |||||
| 932 | K | 34.9 | Very low | 31.8 | Very low | 137 Ų | 137 | 152.5 Ų | 152.5 | 60% | 0.596 | 78% | 0.784 | S | S | * | * | 34 | 116.2 | 123.2 | -55.2 | -175.8 | -171 | 86.9 | 0 | 116.3 | E930 | E930-K932 VanDerWaalsContact OE1-CE 3.31Å; E930-K932 WeakPolarHBondContact OE1-CE 3.19Å; E930-K932 IonicContact OE1-NZ 3.8Å; E930-K932 PolarHBondContact OE1-NZ 2.84Å; E930-K932 IonicContact OE2-NZ 3.67Å; E930-K932 PolarHBondContact OE2-NZ 2.92Å | |||
| 933 | K | 32 | Very low | 31.6 | Very low | 182 Ų | 182 | 151.1 Ų | 151.1 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | cis | -173.3 | 161.1 | 45.8 | -113.1 | 162.2 | -178 | 177.6 | 0 | 113.5 | ||||
| 934 | N | 30.2 | Very low | 31.4 | Very low | 146 Ų | 146 | 151 Ų | 151 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | trans | 68.4 | 87.2 | 154.2 | -62.2 | 6.4 | 0 | 0 | 0 | 120.3 | ||||
| 935 | L | 25.3 | Very low | 31 | Very low | 175 Ų | 175 | 156.6 Ų | 156.6 | 92% | 0.916 | 80% | 0.8 | S | S | * | * | trans | -150.1 | 121.3 | 148.7 | -161 | 87.3 | 0 | 0 | 0 | 109.8 | ||||
| 936 | Q | 27.6 | Very low | 30.6 | Very low | 190 Ų | 190 | 159 Ų | 159 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | trans | -172.8 | 115.1 | 164.3 | -116.7 | 178.3 | 46.8 | 0 | 0 | 113.6 | ||||
| 937 | K | 28.3 | Very low | 30.4 | Very low | 205 Ų | 205 | 163.3 Ų | 163.3 | 89% | 0.891 | 81% | 0.806 | S | S | * | * | 172.4 | 84.8 | 129.4 | -97.7 | -177.7 | 176.4 | -178.6 | 0 | 111.4 | |||||
| 938 | E | 25.9 | Very low | 30.2 | Very low | 188 Ų | 188 | 162.3 Ų | 162.3 | 88% | 0.879 | 80% | 0.801 | S | S | * | * | trans | -139.4 | 161.4 | 157.8 | -79.7 | -164 | 143.3 | 0 | 0 | 109.2 | ||||
| 939 | S | 28.2 | Very low | 29.6 | Very low | 120 Ų | 120 | 163.2 Ų | 163.2 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | trans | 73.7 | 111.6 | 170.9 | 75.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 940 | K | 29.7 | Very low | 29.3 | Very low | 202 Ų | 202 | 163.4 Ų | 163.4 | 88% | 0.878 | 80% | 0.801 | S | S | * | * | trans | 178.7 | 142.2 | 151.6 | -104.8 | 175.8 | -178.3 | -179.2 | 0 | 105.6 | ||||
| 941 | I | 29.9 | Very low | 28.9 | Very low | 142 Ų | 142 | 166.2 Ų | 166.2 | 73% | 0.728 | 82% | 0.816 | S | S | * | * | cis | -129.9 | 163.9 | 13.5 | -79.7 | 108.7 | 0 | 0 | 0 | 110.7 | ||||
| 942 | T | 26.8 | Very low | 28.6 | Very low | 145 Ų | 145 | 166.7 Ų | 166.7 | 89% | 0.89 | 82% | 0.818 | S | S | * | * | trans | -136.8 | 108.3 | 168.7 | -59 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 943 | S | 29.1 | Very low | 28.2 | Very low | 100 Ų | 100 | 168.6 Ų | 168.6 | 70% | 0.699 | 83% | 0.829 | S | S | * | * | trans | -176.6 | 158 | 160.6 | 61.6 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 944 | T | 27.4 | Very low | 28 | Very low | 125 Ų | 125 | 164.3 Ų | 164.3 | 77% | 0.767 | 82% | 0.822 | S | S | * | * | cis | -141.9 | 140.5 | 12.6 | 42.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 945 | R | 29.2 | Very low | 28 | Very low | 254 Ų | 254 | 163.8 Ų | 163.8 | 96% | 0.958 | 82% | 0.818 | S | S | * | * | trans | -160.2 | 73.7 | 147.8 | -125.6 | 178.5 | -175.2 | -173 | 1.3 | 112.7 | ||||
| 946 | Q | 26.9 | Very low | 28.1 | Very low | 196 Ų | 196 | 163.7 Ų | 163.7 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | trans | -117.3 | 89.8 | 160.1 | -87 | -169.4 | -22.8 | 0 | 0 | 108.8 | ||||
| 947 | Q | 32.8 | Very low | 28.1 | Very low | 166 Ų | 166 | 158.7 Ų | 158.7 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | trans | -160.9 | 113.8 | 162.5 | -110.1 | 160.5 | 4 | 0 | 0 | 108.4 | ||||
| 948 | Q | 28 | Very low | 28.2 | Very low | 165 Ų | 165 | 156.7 Ų | 156.7 | 77% | 0.771 | 79% | 0.792 | S | S | * | * | trans | 33.6 | 121.7 | 136.1 | -63 | 145.9 | 1.2 | 0 | 0 | 116.8 | ||||
| 949 | Q | 27.3 | Very low | 28.2 | Very low | 189 Ų | 189 | 153.5 Ų | 153.5 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | cis | 58.3 | 87.2 | 18.9 | -171.1 | 126.8 | 52.8 | 0 | 0 | 115.5 | ||||
| 950 | Q | 28.4 | Very low | 28.2 | Very low | 180 Ų | 180 | 155 Ų | 155 | 84% | 0.841 | 78% | 0.775 | S | S | * | * | trans | -161 | 157.5 | 150.4 | -109.1 | 169.9 | 24 | 0 | 0 | 110.6 | ||||
| 951 | M | 25 | Very low | 28.1 | Very low | 165 Ų | 165 | 150 Ų | 150 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | trans | 64.1 | 96.6 | -172.2 | -62.3 | -175 | -77.9 | 0 | 0 | 115 | ||||
| 952 | L | 27.8 | Very low | 28 | Very low | 129 Ų | 129 | 149.5 Ų | 149.5 | 68% | 0.675 | 76% | 0.76 | S | S | * | * | 62.1 | 116.5 | 75.7 | -86.1 | 71.7 | 0 | 0 | 0 | 113.3 | |||||
| 953 | E | 27.5 | Very low | 28 | Very low | 176 Ų | 176 | 149.3 Ų | 149.3 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | 72.2 | 141.9 | 79.5 | -68.9 | 177.9 | -165.2 | 0 | 0 | 112.4 | |||||
| 954 | S | 27.7 | Very low | 28 | Very low | 93 Ų | 93 | 150.9 Ų | 150.9 | 65% | 0.65 | 75% | 0.751 | S | S | * | * | cis | -164.6 | -175.2 | 30.4 | 56.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 955 | I | 29.2 | Very low | 28.1 | Very low | 134 Ų | 134 | 150.7 Ų | 150.7 | 69% | 0.687 | 75% | 0.75 | S | S | * | * | trans | 75.7 | 111.7 | 161.6 | -64.3 | 160.9 | 0 | 0 | 0 | 115.1 | ||||
| 956 | Q | 28.3 | Very low | 28 | Very low | 173 Ų | 173 | 145.6 Ų | 145.6 | 81% | 0.808 | 75% | 0.748 | S | S | * | * | 74.2 | 143.2 | 60.8 | -68.5 | 176.1 | -10.6 | 0 | 0 | 114.5 | |||||
| 957 | S | 28 | Very low | 28.1 | Very low | 85 Ų | 85 | 144.7 Ų | 144.7 | 59% | 0.594 | 74% | 0.743 | S | S | * | * | cis | -177 | 179.7 | -15.6 | 57.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 958 | H | 29 | Very low | 27.9 | Very low | 164 Ų | 164 | 142.2 Ų | 142.2 | 76% | 0.759 | 74% | 0.744 | S | S | * | * | trans | 69 | 159.9 | 169 | -69.2 | 75.6 | 0 | 0 | 0 | 116.3 | ||||
| 959 | N | 26.9 | Very low | 27.8 | Very low | 120 Ų | 120 | 140 Ų | 140 | 64% | 0.642 | 74% | 0.742 | S | S | * | * | cis | -168.4 | 168.3 | -30.5 | -107.3 | 22.5 | 0 | 0 | 0 | 106.8 | ||||
| 960 | Q | 27.8 | Very low | 27.8 | Very low | 153 Ų | 153 | 138.2 Ų | 138.2 | 72% | 0.715 | 74% | 0.737 | S | S | * | * | cis | -153.1 | -147.7 | 3.4 | -143.3 | 177.1 | -88.5 | 0 | 0 | 112.5 | ||||
| 961 | T | 28.1 | Very low | 27.9 | Very low | 97 Ų | 97 | 135.4 Ų | 135.4 | 60% | 0.595 | 73% | 0.732 | S | S | * | * | trans | -77.3 | -179.1 | 173 | 46.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 962 | D | 26.8 | Very low | 28.1 | Very low | 131 Ų | 131 | 134.1 Ų | 134.1 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | cis | -163.2 | 169.2 | 38.4 | -79.9 | -75.4 | 0 | 0 | 0 | 108.7 | ||||
| 963 | M | 27.3 | Very low | 28.3 | Very low | 140 Ų | 140 | 134.2 Ų | 134.2 | 69% | 0.69 | 73% | 0.73 | S | S | * | * | cis | -167.5 | -179.8 | -7.3 | -113.6 | -74.9 | -81.2 | 0 | 0 | 111.8 | ||||
| 964 | D | 29.6 | Very low | 28.5 | Very low | 134 Ų | 134 | 130.9 Ų | 130.9 | 72% | 0.717 | 72% | 0.722 | S | S | * | * | trans | 80.6 | 152 | 152.2 | -81.1 | -42.2 | 0 | 0 | 0 | 124.4 | ||||
| 965 | T | 28.5 | Very low | 28.5 | Very low | 120 Ų | 120 | 133 Ų | 133 | 74% | 0.736 | 73% | 0.726 | S | S | * | * | trans | -162.6 | 155.8 | -165.6 | -52.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 966 | T | 27.8 | Very low | 28.6 | Very low | 148 Ų | 148 | 131.5 Ų | 131.5 | 91% | 0.908 | 73% | 0.728 | S | S | * | * | trans | -161.5 | 168.2 | 157.1 | -3.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 967 | Q | 27.5 | Very low | 28.6 | Very low | 176 Ų | 176 | 131.1 Ų | 131.1 | 82% | 0.822 | 73% | 0.731 | S | S | * | * | trans | -132.8 | 154.4 | -161.3 | -58.2 | 174.5 | -51.3 | 0 | 0 | 116.1 | ||||
| 968 | S | 28.6 | Very low | 28.7 | Very low | 114 Ų | 114 | 130.2 Ų | 130.2 | 80% | 0.797 | 74% | 0.735 | S | S | * | * | trans | -159 | 146.1 | 147.5 | 55.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 969 | V | 26.7 | Very low | 28.8 | Very low | 119 Ų | 119 | 129 Ų | 129 | 72% | 0.721 | 73% | 0.734 | S | S | * | * | cis | 108.9 | 139.4 | -1.7 | -174.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 970 | L | 27.9 | Very low | 29 | Very low | 151 Ų | 151 | 129.1 Ų | 129.1 | 79% | 0.791 | 74% | 0.735 | S | S | * | * | trans | 92.6 | 124.8 | -177.4 | -54.2 | -177.1 | 0 | 0 | 0 | 115.7 | ||||
| 971 | V | 30.3 | Very low | 29 | Very low | 121 Ų | 121 | 128 Ų | 128 | 73% | 0.733 | 73% | 0.733 | S | S | * | * | cis | 91.8 | 128.1 | 37.2 | 166.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 972 | D | 28.8 | Very low | 29 | Very low | 138 Ų | 138 | 129.2 Ų | 129.2 | 74% | 0.738 | 74% | 0.736 | S | S | * | * | cis | -161 | -165.5 | -6.4 | -128.1 | -43.9 | 0 | 0 | 0 | 111.4 | ||||
| 973 | D | 32.6 | Very low | 29.1 | Very low | 131 Ų | 131 | 132.5 Ų | 132.5 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | trans | 115.8 | 101.5 | 144.4 | -87.4 | -46.5 | 0 | 0 | 0 | 122.7 | ||||
| 974 | T | 30.5 | Very low | 29.1 | Very low | 106 Ų | 106 | 130.5 Ų | 130.5 | 65% | 0.65 | 74% | 0.735 | S | S | * | * | 28.8 | 151.5 | 114.3 | 82.1 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 975 | N | 28.8 | Very low | 29 | Very low | 137 Ų | 137 | 131.7 Ų | 131.7 | 73% | 0.733 | 74% | 0.736 | S | S | * | * | cis | -166.7 | -179 | -9.5 | -122.2 | -40 | 0 | 0 | 0 | 112.3 | ||||
| 976 | S | 30.2 | Very low | 28.9 | Very low | 104 Ų | 104 | 129.7 Ų | 129.7 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | trans | 83.3 | 159.6 | 155.4 | 83.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 977 | N | 28.3 | Very low | 28.9 | Very low | 164 Ų | 164 | 131.2 Ų | 131.2 | 88% | 0.877 | 73% | 0.729 | S | S | * | * | -169.9 | 140.5 | -55.1 | -112.5 | -18.6 | 0 | 0 | 0 | 111.5 | |||||
| 978 | G | 29.9 | Very low | 28.9 | Very low | 66 Ų | 66 | 128.1 Ų | 128.1 | 68% | 0.68 | 72% | 0.718 | S | S | * | * | trans | 80.7 | 162.4 | 158.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 979 | N | 30.9 | Very low | 28.8 | Very low | 138 Ų | 138 | 131 Ų | 131 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | cis | -168.7 | 158.6 | -22.8 | -130.3 | 39.3 | 0 | 0 | 0 | 109.8 | ||||
| 980 | D | 31.2 | Very low | 28.8 | Very low | 123 Ų | 123 | 130.2 Ų | 130.2 | 66% | 0.658 | 73% | 0.725 | S | S | * | * | trans | 67.5 | 148 | 149.8 | -59 | -27.2 | 0 | 0 | 0 | 122.4 | ||||
| 981 | L | 28 | Very low | 28.8 | Very low | 130 Ų | 130 | 130.6 Ų | 130.6 | 68% | 0.681 | 73% | 0.727 | S | S | * | * | cis | -169.5 | 139.4 | -32.5 | -115.7 | 173.5 | 0 | 0 | 0 | 111 | ||||
| 982 | N | 29.1 | Very low | 28.7 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 66% | 0.658 | 72% | 0.721 | S | S | * | * | trans | 34.3 | 120.9 | 151.5 | -70.4 | -12.8 | 0 | 0 | 0 | 123.2 | I984 | N982-I984 HydrophobicContact CB-CD1 4.42Š| ||
| 983 | K | 27.8 | Very low | 28.8 | Very low | 199 Ų | 199 | 128.2 Ų | 128.2 | 87% | 0.865 | 71% | 0.706 | S | S | * | * | -177.1 | 130.1 | 110.4 | -95.1 | 157.2 | -176.8 | 177.3 | 0 | 109.6 | |||||
| 984 | I | 28 | Very low | 28.7 | Very low | 98 Ų | 98 | 129 Ų | 129 | 50% | 0.503 | 71% | 0.706 | S | S | . | * | cis | 104.1 | 135.4 | 31.6 | -74.2 | 170.5 | 0 | 0 | 0 | 112.3 | N982 | N982-I984 HydrophobicContact CB-CD1 4.42Š| ||
| 985 | Q | 27.8 | Very low | 28.7 | Very low | 159 Ų | 159 | 127.5 Ų | 127.5 | 74% | 0.743 | 70% | 0.697 | S | S | * | * | trans | 75.5 | 145.6 | 170.7 | -76.8 | 158.6 | -45.1 | 0 | 0 | 118.2 | ||||
| 986 | S | 26.1 | Very low | 28.8 | Very low | 79 Ų | 79 | 123.4 Ų | 123.4 | 55% | 0.552 | 67% | 0.674 | S | S | * | * | cis | 177.7 | 129.4 | -38.2 | 43.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 987 | L | 27.9 | Very low | 29.1 | Very low | 180 Ų | 180 | 120.5 Ų | 120.5 | 94% | 0.942 | 65% | 0.648 | S | S | * | * | trans | -130.6 | 137.2 | 154.8 | -111.8 | 90.1 | 0 | 0 | 0 | 108.6 | ||||
| 988 | D | 27.2 | Very low | 30 | Very low | 111 Ų | 111 | 116.2 Ų | 116.2 | 59% | 0.594 | 62% | 0.623 | S | S | * | * | trans | -85 | 142 | -174.9 | -66.2 | -65.9 | 0 | 0 | 0 | 112.1 | ||||
| 989 | N | 27.8 | Very low | 31.5 | Very low | 173 Ų | 173 | 114 Ų | 114 | 93% | 0.925 | 60% | 0.597 | S | S | * | * | trans | -155 | 123.3 | 146.8 | -105 | -38.7 | 0 | 0 | 0 | 109.4 | ||||
| 990 | S | 25.9 | Very low | 33.6 | Very low | 104 Ų | 104 | 108 Ų | 108 | 73% | 0.727 | 57% | 0.566 | S | S | * | * | trans | -94.6 | 119.9 | -174.3 | 54 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 991 | N | 27.9 | Very low | 36.2 | Very low | 158 Ų | 158 | 103.5 Ų | 103.5 | 85% | 0.845 | 54% | 0.54 | S | S | * | . | trans | -169.5 | 8.2 | 149.6 | -99 | -19.2 | 0 | 0 | 0 | 117.3 | ||||
| 992 | E | 28.2 | Very low | 39.2 | Very low | 128 Ų | 128 | 100.6 Ų | 100.6 | 60% | 0.598 | 52% | 0.521 | S | S | * | . | trans | -120.1 | 99.3 | -174.4 | -72.7 | 173.7 | 166.7 | 0 | 0 | 113.5 | L519 | L519-E992 HydrophobicContact CD1-CB 4.49Å; L519-E992 VanDerWaalsContact CD2-OE2 3.22Å; L519-E992 WeakPolarHBondContact CD2-OE2 3.19Å | ||
| 993 | N | 30.6 | Very low | 42.3 | Very low | 82 Ų | 82 | 94.7 Ų | 94.7 | 44% | 0.439 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -178.5 | 5.8 | 155 | -115.7 | -92.6 | 0 | 0 | 0 | 115.3 | H526 | H526-N993 PolarHBondContact CE1-O 3.41Å; H526-N993 PolarHBondContact ND1-O 2.83Å; H526-N993 PolarHBondContact ND1-OD1 3.06Å |
| 994 | Q | 30.8 | Very low | 45.5 | Very low | 147 Ų | 147 | 85.4 Ų | 85.4 | 69% | 0.687 | 45% | 0.45 | S | S | * | . | trans | -96.3 | -25.1 | -169.4 | -80.4 | 174.5 | -41.8 | 0 | 0 | 116 | M996 | Q994-M996 PolarHBondContact O-N 2.8Š| ||
| 995 | T | 30.7 | Very low | 48.8 | Very low | 75 Ų | 75 | 80.8 Ų | 80.8 | 46% | 0.46 | 43% | 0.426 | S | S | . | . | G | 310 helix | trans | -60.2 | -46.8 | -161.8 | 48.8 | 0 | 0 | 0 | 0 | 114.9 | K997 | T995-K997 VanDerWaalsContact C-N 3.32Å; T995-K997 PolarHBondContact O-N 3.36Å |
| 996 | M | 30.4 | Very low | 52 | Low | 50 Ų | 50 | 76.4 Ų | 76.4 | 25% | 0.246 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -71.3 | -17 | -170.9 | -67.9 | -55.6 | -54 | 0 | 0 | 115.3 | I523 Q527 Q530 Q994 S999 | I523-M996 HydrophobicContact CG2-CG 4.39Å; Q527-M996 HydrophobicContact CG-CB 4.11Å; Q527-M996 HydrophobicContact CG-CE 3.93Å; Q527-M996 HydrophobicContact CG-CG 3.76Å; Q527-M996 HydrophobicContact CG-SD 4.42Å; Q530-M996 VanDerWaalsContact NE2-C 3.33Å; Q530-M996 PolarHBondContact NE2-O 3.21Å; Q994-M996 PolarHBondContact O-N 2.8Å; M996-S999 PolarHBondContact O-OG 3.33Å |
| 997 | K | 35.7 | Very low | 55.2 | Low | 43 Ų | 43 | 72.9 Ų | 72.9 | 19% | 0.187 | 38% | 0.379 | C | S | . | . | G | 310 helix | trans | -88 | -5 | -173.7 | -94.5 | 178.2 | -170.1 | 131.4 | 0 | 114.8 | H526 E529 Q530 T995 K1089 | H526-K997 PolarHBondContact CD2-NZ 3.03Å; H526-K997 WeakPolarHBondContact NE2-CD 3.2Å; H526-K997 VanDerWaalsContact NE2-CE 3.3Å; H526-K997 WeakPolarHBondContact NE2-CE 3.4Å; H526-K997 WeakPolarHBondContact NE2-CG 3.35Å; H526-K997 PolarHBondContact NE2-NZ 3.05Å; E529-K997 IonicContact OE2-NZ 3.44Å; E529-K997 PolarHBondContact OE2-NZ 2.88Å; Q530-K997 HydrophobicContact CB-CG 4.27Å; Q530-K997 HydrophobicContact CG-CG 4.31Å; Q530-K997 VanDerWaalsContact OE1-CG 3.26Å; T995-K997 VanDerWaalsContact C-N 3.32Å; T995-K997 PolarHBondContact O-N 3.36Å; K997-K1089 WeakPolarHBondContact O-CD 3.35Å; K997-K1089 WeakPolarHBondContact O-CE 3.32Å; K997-K1089 PolarHBondContact O-NZ 2.88Å |
| 998 | E | 48.5 | Very low | 58.2 | Low | 74 Ų | 74 | 68.8 Ų | 68.8 | 35% | 0.346 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -92.1 | -10.6 | -174.7 | -59.5 | -96.1 | 149.6 | 0 | 0 | 113.7 | K645 S1000 N1087 | K645-E998 WeakPolarHBondContact CD-OE1 3.08Å; K645-E998 WeakPolarHBondContact CE-OE1 3.29Å; K645-E998 IonicContact NZ-OE1 2.68Å; K645-E998 PolarHBondContact NZ-OE1 2.6Å; K645-E998 IonicContact NZ-OE2 3.25Å; K645-E998 PolarHBondContact NZ-OE2 2.72Å; E998-S1000 PolarHBondContact O-N 3.41Å; E998-N1087 PolarHBondContact O-ND2 3.04Å |
| 999 | S | 61.9 | Low | 61.1 | Low | 21 Ų | 21 | 66.9 Ų | 66.9 | 15% | 0.147 | 34% | 0.341 | C | S | . | . | trans | -76.1 | -12.8 | -162.1 | 50.1 | 0 | 0 | 0 | 0 | 119 | M996 L1054 | M996-S999 PolarHBondContact O-OG 3.33Å; S999-L1054 VanDerWaalsContact CA-O 3.29Å; S999-L1054 WeakPolarHBondContact CA-O 3.45Å; S999-L1054 WeakPolarHBondContact CB-O 3.45Å; S999-L1054 PolarHBondContact O-N 2.9Å | ||
| 1000 | S | 74.2 | Confident | 64.1 | Low | 12 Ų | 12 | 59.9 Ų | 59.9 | 8% | 0.084 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 113.1 | -169 | -33.8 | 0 | 0 | 0 | 0 | 112.6 | E998 I1088 K1089 | E998-S1000 PolarHBondContact O-N 3.41Å; S1000-I1088 PolarHBondContact O-N 2.92Å; S1000-K1089 PolarHBondContact OG-NZ 2.78Å |
| 1001 | W | 86.8 | Confident | 67.1 | Low | 28 Ų | 28 | 55 Ų | 55 | 11% | 0.106 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 140.3 | -177.4 | -62.1 | 77.7 | 0 | 0 | 0 | 111.9 | I1052 L1054 I1060 L1085 E1086 N1087 L1094 | W1001-I1052 HydrophobicContact CB-CG1 3.9Å; W1001-I1052 PolarHBondContact N-O 3.5Å; W1001-I1052 PolarHBondContact O-N 2.71Å; W1001-L1054 HydrophobicContact CD2-CD1 4.35Å; W1001-L1054 HydrophobicContact CG-CD1 4.01Å; W1001-L1054 HydrophobicContact CG-CG 4.48Å; W1001-I1060 HydrophobicContact CD2-CD1 4.34Å; W1001-I1060 HydrophobicContact CE3-CD1 4.48Å; W1001-I1060 HydrophobicContact CH2-CD1 3.67Å; W1001-I1060 HydrophobicContact CZ2-CD1 3.48Å; W1001-I1060 VanDerWaalsContact CZ2-CD1 3.48Å; W1001-I1060 HydrophobicContact CZ2-CG1 4.48Å; W1001-I1060 HydrophobicContact CZ3-CD1 4.17Å; W1001-L1085 HydrophobicContact CE3-CB 3.84Å; W1001-L1085 HydrophobicContact CZ3-CB 4.2Å; W1001-E1086 CarbonylContact C-O 3.54Å; W1001-E1086 WeakPolarHBondContact CA-O 3.29Å; W1001-N1087 HydrophobicContact CD2-CB 3.78Å; W1001-N1087 HydrophobicContact CE3-CB 3.59Å; W1001-N1087 VanDerWaalsContact CE3-N 3.27Å; W1001-N1087 HydrophobicContact CH2-CB 3.82Å; W1001-N1087 HydrophobicContact CZ2-CB 3.98Å; W1001-N1087 VanDerWaalsContact CZ2-ND2 3.32Å; W1001-N1087 WeakPolarHBondContact CZ2-ND2 3.24Å; W1001-N1087 HydrophobicContact CZ3-CB 3.62Å; W1001-N1087 PolarHBondContact NE1-ND2 3.09Å; W1001-L1094 HydrophobicContact CH2-CD1 3.92Å; W1001-L1094 HydrophobicContact CH2-CG 4.29Å; W1001-L1094 HydrophobicContact CZ3-CD1 3.9Å; W1001-L1094 HydrophobicContact CZ3-CG 3.96Å |
| 1002 | K | 90.6 | Very high | 69.8 | Low | 68 Ų | 68 | 53.3 Ų | 53.3 | 30% | 0.296 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 122 | 165.5 | 175.1 | -179.3 | -177.8 | -87.6 | 0 | 107.8 | S1004 N1049 E1086 I1088 | K1002-S1004 PolarHBondContact NZ-OG 2.99Å; K1002-N1049 WeakPolarHBondContact CE-OD1 3.26Å; K1002-N1049 PolarHBondContact NZ-OD1 3.39Å; K1002-E1086 HydrophobicContact CB-CB 4.39Å; K1002-E1086 PolarHBondContact N-O 2.84Å; K1002-E1086 PolarHBondContact O-N 2.88Å; K1002-I1088 HydrophobicContact CB-CD1 4.34Å; K1002-I1088 HydrophobicContact CB-CG1 4.09Å |
| 1003 | L | 94.6 | Very high | 72.4 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 141.4 | 170.5 | 172.5 | 64.5 | 0 | 0 | 0 | 108.9 | I1005 L1018 I1032 N1049 F1050 I1052 L1083 I1084 L1085 | L1003-I1005 HydrophobicContact CD1-CD1 4.44Å; L1003-I1005 HydrophobicContact CD1-CG1 4.02Å; L1003-I1005 HydrophobicContact CD2-CD1 4.13Å; L1003-I1005 HydrophobicContact CD2-CG1 4.44Å; L1003-I1005 HydrophobicContact CG-CD1 4.36Å; L1003-I1005 HydrophobicContact CG-CG1 4.12Å; L1003-L1018 HydrophobicContact CD1-CD2 4.1Å; L1003-L1018 HydrophobicContact CD2-CD2 3.73Å; L1003-I1032 HydrophobicContact CD2-CD1 3.55Å; L1003-I1032 HydrophobicContact CD2-CG1 4.06Å; L1003-I1032 HydrophobicContact CD2-CG2 4.07Å; L1003-N1049 WeakPolarHBondContact O-CA 3.07Å; L1003-F1050 HydrophobicContact CB-CB 4.12Å; L1003-F1050 HydrophobicContact CD2-CB 4.08Å; L1003-F1050 HydrophobicContact CD2-CD2 3.97Å; L1003-F1050 HydrophobicContact CD2-CG 4.33Å; L1003-F1050 HydrophobicContact CG-CB 4.39Å; L1003-F1050 HydrophobicContact CG-CD2 4.15Å; L1003-F1050 PolarHBondContact N-O 2.71Å; L1003-F1050 PolarHBondContact O-N 2.73Å; L1003-I1052 HydrophobicContact CB-CG2 4.38Å; L1003-I1052 HydrophobicContact CD2-CG2 4.29Å; L1003-L1083 HydrophobicContact CD1-CD1 3.72Å; L1003-L1083 HydrophobicContact CD1-CD2 3.44Å; L1003-L1083 VanDerWaalsContact CD1-CD2 3.44Å; L1003-L1083 HydrophobicContact CD1-CG 3.45Å; L1003-L1083 VanDerWaalsContact CD1-CG 3.45Å; L1003-I1084 CarbonylContact C-O 3.57Å; L1003-I1084 WeakPolarHBondContact CA-O 3.16Å; L1003-L1085 HydrophobicContact CB-CD2 4.06Å; L1003-L1085 HydrophobicContact CD1-CD2 3.72Å; L1003-L1085 HydrophobicContact CG-CD2 4.49Å |
| 1004 | S | 95 | Very high | 75 | Confident | 4 Ų | 4 | 44.1 Ų | 44.1 | 3% | 0.028 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 115.2 | 173.2 | -55.8 | 0 | 0 | 0 | 0 | 109.5 | K1002 D1048 N1049 L1083 I1084 | K1002-S1004 PolarHBondContact NZ-OG 2.99Å; S1004-D1048 WeakPolarHBondContact CA-O 3.27Å; S1004-N1049 PolarHBondContact OG-OD1 3.14Å; S1004-L1083 WeakPolarHBondContact O-CA 3.32Å; S1004-I1084 PolarHBondContact N-O 2.87Å; S1004-I1084 PolarHBondContact O-N 2.94Å |
| 1005 | I | 95.4 | Very high | 77.8 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 123.5 | -176.8 | -60.6 | 176.6 | 0 | 0 | 0 | 107.9 | L1003 I1032 F1042 I1047 D1048 F1050 W1078 V1080 L1083 | L1003-I1005 HydrophobicContact CD1-CD1 4.44Å; L1003-I1005 HydrophobicContact CD1-CG1 4.02Å; L1003-I1005 HydrophobicContact CD2-CD1 4.13Å; L1003-I1005 HydrophobicContact CD2-CG1 4.44Å; L1003-I1005 HydrophobicContact CG-CD1 4.36Å; L1003-I1005 HydrophobicContact CG-CG1 4.12Å; I1005-I1032 HydrophobicContact CD1-CG2 4.13Å; I1005-F1042 HydrophobicContact CD1-CE1 4.21Å; I1005-I1047 WeakPolarHBondContact O-CA 3.16Å; I1005-D1048 PolarHBondContact N-O 3.48Å; I1005-D1048 PolarHBondContact O-N 3.22Å; I1005-F1050 HydrophobicContact CD1-CE2 4.21Å; I1005-W1078 HydrophobicContact CG2-CH2 4.4Å; I1005-W1078 HydrophobicContact CG2-CZ2 3.93Å; I1005-V1080 HydrophobicContact CG2-CG1 4.07Å; I1005-V1080 HydrophobicContact CG2-CG2 4.27Å; I1005-L1083 HydrophobicContact CD1-CD1 4.31Å; I1005-L1083 HydrophobicContact CG1-CD1 4.06Å; I1005-L1083 HydrophobicContact CG1-CG 4.12Å |
| 1006 | Y | 95.7 | Very high | 80.6 | Confident | 67 Ų | 67 | 35.4 Ų | 35.4 | 26% | 0.263 | 17% | 0.168 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 105.1 | 176.7 | -69.9 | -113.7 | 0 | 0 | 0 | 107.6 | I1047 V1080 D1081 K1082 I1084 | Y1006-I1047 HydrophobicContact CD1-CD1 3.87Å; Y1006-I1047 HydrophobicContact CD1-CG1 3.74Å; Y1006-I1047 HydrophobicContact CD1-CG2 4.49Å; Y1006-I1047 HydrophobicContact CD2-CG2 4.11Å; Y1006-I1047 HydrophobicContact CE1-CD1 3.37Å; Y1006-I1047 HydrophobicContact CE1-CG1 3.76Å; Y1006-I1047 HydrophobicContact CE1-CG2 4.31Å; Y1006-I1047 HydrophobicContact CE2-CG2 3.89Å; Y1006-I1047 HydrophobicContact CG-CG1 4.24Å; Y1006-I1047 HydrophobicContact CG-CG2 4.38Å; Y1006-V1080 WeakPolarHBondContact O-CA 3.16Å; Y1006-D1081 WeakPolarHBondContact CB-OD2 3.21Å; Y1006-D1081 PolarHBondContact O-N 2.85Å; Y1006-K1082 WeakPolarHBondContact CB-O 3.49Å; Y1006-K1082 HydrophobicContact CD2-CG 3.77Å; Y1006-K1082 HydrophobicContact CE2-CG 4.4Å; Y1006-K1082 HydrophobicContact CG-CG 3.89Å; Y1006-K1082 PolarHBondContact N-O 2.99Å; Y1006-I1084 HydrophobicContact CD2-CD1 4.49Å; Y1006-I1084 HydrophobicContact CE2-CD1 3.65Å; Y1006-I1084 HydrophobicContact CE2-CG1 4.01Å |
| 1007 | T | 93.3 | Very high | 83.6 | Confident | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 132 | -179 | -58.5 | 0 | 0 | 0 | 0 | 109.9 | K1009 F1042 Q1043 N1045 R1046 | T1007-K1009 WeakPolarHBondContact CG2-O 3.21Å; T1007-F1042 WeakPolarHBondContact CG2-O 3.16Å; T1007-Q1043 VanDerWaalsContact CB-O 3.31Å; T1007-Q1043 WeakPolarHBondContact CB-O 3.33Å; T1007-Q1043 WeakPolarHBondContact CG2-O 3.37Å; T1007-N1045 VanDerWaalsContact O-CA 3.29Å; T1007-N1045 WeakPolarHBondContact O-CA 3.34Å; T1007-N1045 PolarHBondContact O-N 2.88Å; T1007-R1046 PolarHBondContact N-O 3.16Å |
| 1008 | E | 90.7 | Very high | 86.4 | Confident | 95 Ų | 95 | 32 Ų | 32 | 44% | 0.444 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | -51.9 | 179.2 | -173.4 | 156.9 | -160.3 | 0 | 0 | 110.3 | A1044 E1079 | E1008-A1044 WeakPolarHBondContact O-CA 3.47Å; E1008-A1044 VanDerWaalsContact O-CB 3.26Å; E1008-A1044 WeakPolarHBondContact O-CB 3.43Å; E1008-E1079 HydrophobicContact CB-CB 3.98Å; E1008-E1079 PolarHBondContact N-O 2.63Å |
| 1009 | K | 89.7 | Confident | 88.5 | Confident | 70 Ų | 70 | 29.8 Ų | 29.8 | 30% | 0.304 | 14% | 0.142 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 135.1 | 174.9 | -175.4 | 177.2 | 179.1 | 176.7 | 0 | 110 | T1007 A1011 E1077 W1078 E1079 | T1007-K1009 WeakPolarHBondContact CG2-O 3.21Å; K1009-A1011 PolarHBondContact O-N 2.83Å; K1009-E1077 HydrophobicContact CD-CB 4.29Å; K1009-E1077 WeakPolarHBondContact CE-OE2 3.14Å; K1009-E1077 IonicContact NZ-OE1 2.75Å; K1009-E1077 PolarHBondContact NZ-OE1 3.16Å; K1009-E1077 IonicContact NZ-OE2 3.41Å; K1009-E1077 PolarHBondContact NZ-OE2 2.81Å; K1009-W1078 VanDerWaalsContact O-CD1 3.25Å; K1009-E1079 HydrophobicContact CB-CB 3.69Å; K1009-E1079 HydrophobicContact CB-CG 3.75Å; K1009-E1079 WeakPolarHBondContact CB-OE2 3.44Å; K1009-E1079 HydrophobicContact CD-CG 4Å; K1009-E1079 PolarHBondContact O-N 3.33Å |
| 1010 | S | 90.8 | Very high | 90 | Very high | 27 Ų | 27 | 28.8 Ų | 28.8 | 19% | 0.189 | 14% | 0.135 | C | C | . | . | trans | -60.4 | 131.7 | -172.8 | -66.3 | 0 | 0 | 0 | 0 | 112.9 | F1042 Q1043 A1044 | S1010-F1042 CarbonylContact C-O 3.55Å; S1010-F1042 WeakPolarHBondContact CA-O 3.33Å; S1010-Q1043 WeakPolarHBondContact OG-CA 3.43Å; S1010-Q1043 PolarHBondContact OG-OE1 2.92Å; S1010-A1044 PolarHBondContact OG-N 3.32Å | ||
| 1011 | A | 87.8 | Confident | 90.7 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.008 | 13% | 0.132 | C | C | . | . | trans | -66.4 | 146.3 | 162 | 0 | 0 | 0 | 0 | 0 | 109.8 | K1009 S1035 F1042 W1078 | K1009-A1011 PolarHBondContact O-N 2.83Å; A1011-S1035 WeakPolarHBondContact O-CB 3.22Å; A1011-F1042 HydrophobicContact CB-CB 3.66Å; A1011-F1042 HydrophobicContact CB-CG 4.48Å; A1011-F1042 PolarHBondContact N-O 2.97Å; A1011-W1078 HydrophobicContact CB-CB 4.08Å; A1011-W1078 HydrophobicContact CB-CD2 4.35Å; A1011-W1078 HydrophobicContact CB-CG 3.74Å | ||
| 1012 | Q | 84.3 | Confident | 90.7 | Very high | 123 Ų | 123 | 27.3 Ų | 27.3 | 58% | 0.575 | 13% | 0.129 | S | C | * | . | trans | -136.4 | 152.8 | 171.8 | -59.3 | -169.8 | 25.3 | 0 | 0 | 109.2 | C1014 S1076 | Q1012-C1014 PolarHBondContact O-N 3.06Å; Q1012-C1014 PolarHBondContact O-SG 3.48Å; Q1012-S1076 WeakPolarHBondContact O-CB 3.28Å; Q1012-S1076 PolarHBondContact O-OG 3.44Å | ||
| 1013 | N | 83.6 | Confident | 90.1 | Very high | 16 Ų | 16 | 28.2 Ų | 28.2 | 9% | 0.086 | 14% | 0.136 | C | C | . | . | S | Bend | trans | 45.5 | 36.7 | 171.5 | -155.3 | 44 | 0 | 0 | 0 | 116.7 | S1035 N1036 I1070 N1071 | N1013-S1035 PolarHBondContact N-OG 3.29Å; N1013-N1036 PolarHBondContact N-OD1 2.61Å; N1013-I1070 WeakPolarHBondContact O-CB 3.41Å; N1013-I1070 PolarHBondContact O-N 2.86Å; N1013-N1071 VanDerWaalsContact ND2-CB 3.33Å; N1013-N1071 WeakPolarHBondContact ND2-CB 3.25Å; N1013-N1071 PolarHBondContact ND2-N 2.96Å; N1013-N1071 PolarHBondContact ND2-O 3.2Å |
| 1014 | C | 85 | Confident | 89.3 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.007 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 159.1 | -175.3 | 59.5 | 0 | 0 | 0 | 0 | 115.1 | Q1012 R1034 S1035 V1067 N1068 | Q1012-C1014 PolarHBondContact O-N 3.06Å; Q1012-C1014 PolarHBondContact O-SG 3.48Å; C1014-R1034 CarbonylContact O-C 3.57Å; C1014-R1034 WeakPolarHBondContact O-CA 3.33Å; C1014-S1035 PolarHBondContact N-OG 3.33Å; C1014-S1035 PolarHBondContact O-N 3.47Å; C1014-S1035 PolarHBondContact O-OG 2.79Å; C1014-V1067 HydrophobicContact CB-CG1 3.58Å; C1014-N1068 CarbonylContact C-O 3.54Å; C1014-N1068 WeakPolarHBondContact CA-O 3.29Å; C1014-N1068 WeakPolarHBondContact CB-O 3.22Å |
| 1015 | E | 88.7 | Confident | 88.5 | Confident | 39 Ų | 39 | 34.6 Ų | 34.6 | 18% | 0.182 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 138 | 164.5 | -41.8 | -163.9 | 119.7 | 0 | 0 | 110.4 | L1031 R1034 N1068 I1070 | E1015-L1031 HydrophobicContact CB-CD1 3.89Å; E1015-R1034 HydrophobicContact CG-CG 4.13Å; E1015-R1034 IonicContact OE1-CZ 2.81Å; E1015-R1034 IonicContact OE1-NE 3.85Å; E1015-R1034 PolarHBondContact OE1-NE 2.89Å; E1015-R1034 IonicContact OE1-NH2 2.82Å; E1015-R1034 PolarHBondContact OE1-NH2 2.85Å; E1015-N1068 HydrophobicContact CB-CB 4.25Å; E1015-N1068 PolarHBondContact N-O 3.35Å; E1015-N1068 PolarHBondContact O-N 2.87Å; E1015-I1070 HydrophobicContact CG-CD1 4.28Å; E1015-I1070 HydrophobicContact CG-CG1 4.07Å |
| 1016 | I | 91.2 | Very high | 88 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 120.1 | 177.3 | -54.9 | -55 | 0 | 0 | 0 | 109.9 | I1032 G1033 F1042 L1065 V1067 W1078 | I1016-I1032 HydrophobicContact CG2-CB 4.4Å; I1016-I1032 WeakPolarHBondContact O-CB 3.36Å; I1016-I1032 PolarHBondContact O-N 2.76Å; I1016-G1033 PolarHBondContact N-O 3.21Å; I1016-F1042 HydrophobicContact CB-CE1 4.19Å; I1016-F1042 HydrophobicContact CB-CE2 3.89Å; I1016-F1042 HydrophobicContact CB-CZ 3.68Å; I1016-F1042 HydrophobicContact CG1-CD1 4.25Å; I1016-F1042 HydrophobicContact CG1-CD2 3.64Å; I1016-F1042 HydrophobicContact CG1-CE1 4.06Å; I1016-F1042 HydrophobicContact CG1-CE2 3.43Å; I1016-F1042 VanDerWaalsContact CG1-CE2 3.43Å; I1016-F1042 HydrophobicContact CG1-CG 4.06Å; I1016-F1042 HydrophobicContact CG1-CZ 3.65Å; I1016-F1042 HydrophobicContact CG2-CE1 4.28Å; I1016-F1042 HydrophobicContact CG2-CZ 4.22Å; I1016-L1065 HydrophobicContact CG2-CD2 4.24Å; I1016-V1067 HydrophobicContact CD1-CB 4.47Å; I1016-V1067 HydrophobicContact CD1-CG1 4.24Å; I1016-V1067 HydrophobicContact CD1-CG2 3.94Å; I1016-W1078 HydrophobicContact CD1-CD2 4.18Å; I1016-W1078 HydrophobicContact CD1-CE3 3.81Å; I1016-W1078 HydrophobicContact CD1-CH2 4.04Å; I1016-W1078 HydrophobicContact CD1-CZ2 4.4Å; I1016-W1078 HydrophobicContact CD1-CZ3 3.74Å; I1016-W1078 HydrophobicContact CG1-CH2 4.22Å; I1016-W1078 HydrophobicContact CG1-CZ2 4.46Å; I1016-W1078 HydrophobicContact CG1-CZ3 4.41Å; I1016-W1078 HydrophobicContact CG2-CH2 3.59Å; I1016-W1078 HydrophobicContact CG2-CZ2 4.43Å; I1016-W1078 HydrophobicContact CG2-CZ3 3.94Å |
| 1017 | I | 92.8 | Very high | 87.6 | Confident | 21 Ų | 21 | 35.9 Ų | 35.9 | 11% | 0.108 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 136 | 179.9 | -57.4 | 179.2 | 0 | 0 | 0 | 109.9 | F1019 P1029 I1030 L1031 L1065 E1066 N1068 | I1017-F1019 HydrophobicContact CG2-CD2 4.15Å; I1017-F1019 HydrophobicContact CG2-CE2 3.71Å; I1017-P1029 HydrophobicContact CG2-CB 3.59Å; I1017-I1030 WeakPolarHBondContact CA-O 3.43Å; I1017-L1031 HydrophobicContact CG1-CD1 4.34Å; I1017-L1065 CarbonylContact O-C 3.57Å; I1017-L1065 WeakPolarHBondContact O-CA 3.39Å; I1017-E1066 HydrophobicContact CB-CB 4.42Å; I1017-E1066 PolarHBondContact N-O 3.29Å; I1017-E1066 PolarHBondContact O-N 3.39Å; I1017-N1068 WeakPolarHBondContact CD1-ND2 3.21Å |
| 1018 | L | 94.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 132.1 | 175.8 | 175.3 | 67.7 | 0 | 0 | 0 | 110.7 | L1003 V1020 I1030 I1032 I1052 I1063 R1064 L1065 L1083 | L1003-L1018 HydrophobicContact CD1-CD2 4.1Å; L1003-L1018 HydrophobicContact CD2-CD2 3.73Å; L1018-V1020 HydrophobicContact CD1-CG2 4.25Å; L1018-V1020 HydrophobicContact CD2-CG2 3.9Å; L1018-V1020 HydrophobicContact CG-CG2 3.89Å; L1018-I1030 PolarHBondContact N-O 3.4Å; L1018-I1030 WeakPolarHBondContact O-CB 3.48Å; L1018-I1030 PolarHBondContact O-N 3.04Å; L1018-I1032 HydrophobicContact CB-CD1 3.76Å; L1018-I1032 HydrophobicContact CB-CG1 3.7Å; L1018-I1032 HydrophobicContact CD2-CD1 4.15Å; L1018-I1052 HydrophobicContact CD2-CD1 3.85Å; L1018-I1063 HydrophobicContact CD1-CB 4.14Å; L1018-I1063 HydrophobicContact CD1-CD1 4.38Å; L1018-I1063 HydrophobicContact CD1-CG2 4.49Å; L1018-R1064 WeakPolarHBondContact CA-O 3.39Å; L1018-L1065 HydrophobicContact CB-CD2 4.26Å; L1018-L1065 HydrophobicContact CD1-CD2 3.92Å; L1018-L1065 HydrophobicContact CD1-CG 4.46Å; L1018-L1083 HydrophobicContact CD1-CD1 4.1Å |
| 1019 | F | 92.9 | Very high | 87 | Confident | 28 Ų | 28 | 36.4 Ų | 36.4 | 12% | 0.123 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 139.9 | 162.8 | -62.5 | -113.7 | 0 | 0 | 0 | 109.2 | I1017 Y1021 P1029 I1063 R1064 E1066 | I1017-F1019 HydrophobicContact CG2-CD2 4.15Å; I1017-F1019 HydrophobicContact CG2-CE2 3.71Å; F1019-Y1021 HydrophobicContact CB-CD2 4.3Å; F1019-Y1021 HydrophobicContact CB-CE2 3.61Å; F1019-Y1021 HydrophobicContact CG-CE2 4.5Å; F1019-P1029 HydrophobicContact CE1-CB 3.98Å; F1019-P1029 HydrophobicContact CE1-CG 4.37Å; F1019-P1029 HydrophobicContact CE2-CB 4Å; F1019-P1029 HydrophobicContact CZ-CB 3.6Å; F1019-P1029 HydrophobicContact CZ-CG 4.29Å; F1019-I1063 CarbonylContact O-C 3.5Å; F1019-I1063 VanDerWaalsContact O-CA 3.23Å; F1019-I1063 WeakPolarHBondContact O-CA 3.39Å; F1019-I1063 WeakPolarHBondContact O-CB 3.17Å; F1019-R1064 HydrophobicContact CB-CB 4.15Å; F1019-R1064 PolarHBondContact N-O 3.2Å; F1019-R1064 PolarHBondContact O-N 3.29Å; F1019-E1066 HydrophobicContact CD2-CG 4.3Å; F1019-E1066 HydrophobicContact CE2-CG 4.04Å; F1019-E1066 WeakPolarHBondContact CE2-OE2 3.33Å |
| 1020 | V | 92.1 | Very high | 87 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 125.3 | 176.3 | -173.3 | 0 | 0 | 0 | 0 | 109.8 | L1018 N1026 S1027 I1052 L1054 I1057 I1060 I1063 L1085 | L1018-V1020 HydrophobicContact CD1-CG2 4.25Å; L1018-V1020 HydrophobicContact CD2-CG2 3.9Å; L1018-V1020 HydrophobicContact CG-CG2 3.89Å; V1020-N1026 CarbonylContact O-C 3.53Å; V1020-N1026 VanDerWaalsContact O-CA 3.24Å; V1020-N1026 WeakPolarHBondContact O-CA 3.4Å; V1020-S1027 PolarHBondContact N-OG 3.44Å; V1020-S1027 PolarHBondContact O-N 2.76Å; V1020-I1052 HydrophobicContact CG2-CD1 4.34Å; V1020-L1054 HydrophobicContact CB-CD1 4.12Å; V1020-L1054 HydrophobicContact CB-CD2 3.97Å; V1020-L1054 HydrophobicContact CG1-CD1 3.74Å; V1020-L1054 HydrophobicContact CG2-CD1 4.24Å; V1020-L1054 HydrophobicContact CG2-CD2 3.95Å; V1020-I1057 HydrophobicContact CB-CD1 4.27Å; V1020-I1057 HydrophobicContact CG1-CD1 3.9Å; V1020-I1060 HydrophobicContact CG1-CB 4.39Å; V1020-I1060 HydrophobicContact CG1-CD1 3.75Å; V1020-I1060 HydrophobicContact CG1-CG1 3.84Å; V1020-I1060 HydrophobicContact CG1-CG2 3.64Å; V1020-I1063 HydrophobicContact CB-CG2 4.39Å; V1020-I1063 HydrophobicContact CG1-CG2 4.09Å; V1020-I1063 HydrophobicContact CG2-CG2 4.13Å; V1020-L1085 HydrophobicContact CG1-CD1 4.18Å; V1020-L1085 HydrophobicContact CG2-CD1 4.21Å |
| 1021 | Y | 89.6 | Confident | 87 | Confident | 5 Ų | 5 | 38.1 Ų | 38.1 | 2% | 0.02 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 126.9 | -174.6 | -70.5 | -103.1 | 0 | 0 | 0 | 110.6 | F1019 N1026 I1060 Y1061 K1062 R1064 D1185 | F1019-Y1021 HydrophobicContact CB-CD2 4.3Å; F1019-Y1021 HydrophobicContact CB-CE2 3.61Å; F1019-Y1021 HydrophobicContact CG-CE2 4.5Å; Y1021-N1026 HydrophobicContact CD1-CB 3.63Å; Y1021-N1026 HydrophobicContact CD2-CB 4.43Å; Y1021-N1026 HydrophobicContact CE1-CB 3.76Å; Y1021-N1026 HydrophobicContact CG-CB 3.95Å; Y1021-I1060 CarbonylContact O-C 3.5Å; Y1021-I1060 WeakPolarHBondContact O-CA 3.2Å; Y1021-Y1061 PolarHBondContact O-N 2.73Å; Y1021-K1062 WeakPolarHBondContact CB-O 3.46Å; Y1021-K1062 HydrophobicContact CD2-CD 4.3Å; Y1021-K1062 HydrophobicContact CD2-CG 3.83Å; Y1021-K1062 HydrophobicContact CG-CB 4.38Å; Y1021-K1062 HydrophobicContact CG-CD 4.3Å; Y1021-K1062 HydrophobicContact CG-CG 4.01Å; Y1021-K1062 PolarHBondContact N-O 3.38Å; Y1021-K1062 PolarHBondContact O-N 3.4Å; Y1021-R1064 HydrophobicContact CE2-CB 4.48Å; Y1021-R1064 VanDerWaalsContact OH-CZ 3.28Å; Y1021-R1064 PolarHBondContact OH-NH1 3.24Å; Y1021-R1064 VanDerWaalsContact OH-NH1 3.16Å; Y1021-R1064 PolarHBondContact OH-NH2 3.45Å; Y1021-D1185 WeakPolarHBondContact CE1-OD2 3.04Å; Y1021-D1185 VanDerWaalsContact OH-CG 3.25Å; Y1021-D1185 PolarHBondContact OH-OD1 2.79Å; Y1021-D1185 VanDerWaalsContact OH-OD1 3.06Å; Y1021-D1185 PolarHBondContact OH-OD2 3Å |
| 1022 | G | 87.2 | Confident | 87.2 | Confident | 4 Ų | 4 | 38.8 Ų | 38.8 | 4% | 0.041 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 172.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | D1024 G1025 I1057 P1059 Y1061 | G1022-D1024 PolarHBondContact O-N 3.19Å; G1022-D1024 VanDerWaalsContact O-N 3.15Å; G1022-G1025 CarbonylContact C-O 3.48Å; G1022-G1025 PolarHBondContact N-O 2.92Å; G1022-G1025 PolarHBondContact O-N 2.78Å; G1022-G1025 VanDerWaalsContact O-N 3.15Å; G1022-I1057 CarbonylContact C-O 3.56Å; G1022-I1057 WeakPolarHBondContact CA-O 3.24Å; G1022-P1059 WeakPolarHBondContact CA-O 3.34Å; G1022-Y1061 VanDerWaalsContact C-CE1 3.42Å; G1022-Y1061 WeakPolarHBondContact O-CE1 3.45Å |
| 1023 | I | 78.2 | Confident | 87.4 | Confident | 87 Ų | 87 | 33.4 Ų | 33.4 | 45% | 0.446 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -18.3 | -170.8 | 62.5 | 172.7 | 0 | 0 | 0 | 114.7 | I1057 P1059 Y1061 | I1023-I1057 PolarHBondContact N-O 2.74Å; I1023-P1059 HydrophobicContact CD1-CB 4.27Å; I1023-P1059 HydrophobicContact CD1-CG 3.87Å; I1023-P1059 HydrophobicContact CG1-CB 4.27Å; I1023-P1059 HydrophobicContact CG1-CG 4.17Å; I1023-P1059 PolarHBondContact N-O 3.23Å; I1023-P1059 VanDerWaalsContact N-O 3.13Å; I1023-Y1061 HydrophobicContact CG2-CD1 3.95Å; I1023-Y1061 HydrophobicContact CG2-CE1 4.47Å |
| 1024 | D | 77 | Confident | 87.7 | Confident | 105 Ų | 105 | 38 Ų | 38 | 56% | 0.561 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101 | -1.2 | 178.7 | -51.8 | -43.9 | 0 | 0 | 0 | 112.6 | G1022 I1057 G1058 | G1022-D1024 PolarHBondContact O-N 3.19Å; G1022-D1024 VanDerWaalsContact O-N 3.15Å; D1024-I1057 PolarHBondContact N-O 3.37Å; D1024-G1058 WeakPolarHBondContact OD2-CA 3.2Å; D1024-G1058 PolarHBondContact OD2-N 3.4Å |
| 1025 | G | 78.3 | Confident | 87.6 | Confident | 33 Ų | 33 | 38.1 Ų | 38.1 | 34% | 0.34 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 155.5 | -170 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | G1022 | G1022-G1025 CarbonylContact C-O 3.48Å; G1022-G1025 PolarHBondContact N-O 2.92Å; G1022-G1025 PolarHBondContact O-N 2.78Å; G1022-G1025 VanDerWaalsContact O-N 3.15Å |
| 1026 | N | 84.9 | Confident | 86.9 | Confident | 60 Ų | 60 | 41 Ų | 41 | 32% | 0.321 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 167.7 | 172.3 | 76.3 | 66 | 0 | 0 | 0 | 111.7 | V1020 Y1021 G1028 | V1020-N1026 CarbonylContact O-C 3.53Å; V1020-N1026 VanDerWaalsContact O-CA 3.24Å; V1020-N1026 WeakPolarHBondContact O-CA 3.4Å; Y1021-N1026 HydrophobicContact CD1-CB 3.63Å; Y1021-N1026 HydrophobicContact CD2-CB 4.43Å; Y1021-N1026 HydrophobicContact CE1-CB 3.76Å; Y1021-N1026 HydrophobicContact CG-CB 3.95Å; N1026-G1028 VanDerWaalsContact C-N 3.35Å; N1026-G1028 PolarHBondContact OD1-N 3.16Å |
| 1027 | S | 87 | Confident | 86.1 | Confident | 34 Ų | 34 | 43.8 Ų | 43.8 | 24% | 0.238 | 25% | 0.245 | C | C | . | . | trans | -77.4 | -12.5 | -175.5 | 60.2 | 0 | 0 | 0 | 0 | 115.8 | V1020 | V1020-S1027 PolarHBondContact N-OG 3.44Å; V1020-S1027 PolarHBondContact O-N 2.76Å | ||
| 1028 | G | 84.6 | Confident | 85.2 | Confident | 20 Ų | 20 | 51.3 Ų | 51.3 | 21% | 0.206 | 29% | 0.286 | C | S | . | . | trans | 65.8 | -177.9 | -154.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | N1026 I1030 | N1026-G1028 VanDerWaalsContact C-N 3.35Å; N1026-G1028 PolarHBondContact OD1-N 3.16Å; G1028-I1030 PolarHBondContact O-N 3.33Å | ||
| 1029 | P | 86.4 | Confident | 84.4 | Confident | 91 Ų | 91 | 58.8 Ų | 58.8 | 59% | 0.591 | 32% | 0.318 | S | S | * | . | trans | -68.6 | 126.6 | 176 | 27.1 | -32.7 | 0 | 0 | 0 | 111.1 | I1017 F1019 | I1017-P1029 HydrophobicContact CG2-CB 3.59Å; F1019-P1029 HydrophobicContact CE1-CB 3.98Å; F1019-P1029 HydrophobicContact CE1-CG 4.37Å; F1019-P1029 HydrophobicContact CE2-CB 4Å; F1019-P1029 HydrophobicContact CZ-CB 3.6Å; F1019-P1029 HydrophobicContact CZ-CG 4.29Å | ||
| 1030 | I | 90.4 | Very high | 83.8 | Confident | 36 Ų | 36 | 58.6 Ų | 58.6 | 19% | 0.185 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 106.9 | 170.7 | -48.5 | 175.6 | 0 | 0 | 0 | 107.7 | I1017 L1018 G1028 I1032 I1052 L1054 | I1017-I1030 WeakPolarHBondContact CA-O 3.43Å; L1018-I1030 PolarHBondContact N-O 3.4Å; L1018-I1030 WeakPolarHBondContact O-CB 3.48Å; L1018-I1030 PolarHBondContact O-N 3.04Å; G1028-I1030 PolarHBondContact O-N 3.33Å; I1030-I1032 HydrophobicContact CB-CD1 4.27Å; I1030-I1032 HydrophobicContact CG2-CD1 3.87Å; I1030-I1032 PolarHBondContact O-N 3.43Å; I1030-I1052 HydrophobicContact CD1-CB 4.4Å; I1030-I1052 HydrophobicContact CD1-CD1 4.37Å; I1030-I1052 HydrophobicContact CG2-CG2 4.28Å; I1030-L1054 HydrophobicContact CD1-CD2 3.75Å |
| 1031 | L | 91.2 | Very high | 83.6 | Confident | 96 Ų | 96 | 59.3 Ų | 59.3 | 50% | 0.503 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 120.2 | 169.7 | 177.2 | 62.5 | 0 | 0 | 0 | 109.1 | E1015 I1017 | E1015-L1031 HydrophobicContact CB-CD1 3.89Å; I1017-L1031 HydrophobicContact CG1-CD1 4.34Å |
| 1032 | I | 91.3 | Very high | 83.7 | Confident | 15 Ų | 15 | 59.1 Ų | 59.1 | 8% | 0.077 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -33.7 | -178.4 | -58.2 | -51.1 | 0 | 0 | 0 | 111 | L1003 I1005 I1016 L1018 I1030 F1042 F1050 I1052 | L1003-I1032 HydrophobicContact CD2-CD1 3.55Å; L1003-I1032 HydrophobicContact CD2-CG1 4.06Å; L1003-I1032 HydrophobicContact CD2-CG2 4.07Å; I1005-I1032 HydrophobicContact CD1-CG2 4.13Å; I1016-I1032 HydrophobicContact CG2-CB 4.4Å; I1016-I1032 WeakPolarHBondContact O-CB 3.36Å; I1016-I1032 PolarHBondContact O-N 2.76Å; L1018-I1032 HydrophobicContact CB-CD1 3.76Å; L1018-I1032 HydrophobicContact CB-CG1 3.7Å; L1018-I1032 HydrophobicContact CD2-CD1 4.15Å; I1030-I1032 HydrophobicContact CB-CD1 4.27Å; I1030-I1032 HydrophobicContact CG2-CD1 3.87Å; I1030-I1032 PolarHBondContact O-N 3.43Å; I1032-F1042 HydrophobicContact CB-CZ 4.29Å; I1032-F1042 HydrophobicContact CG2-CE1 4Å; I1032-F1042 HydrophobicContact CG2-CZ 3.86Å; I1032-F1050 HydrophobicContact CG2-CB 4.48Å; I1032-F1050 HydrophobicContact CG2-CD1 3.65Å; I1032-F1050 HydrophobicContact CG2-CD2 3.46Å; I1032-F1050 VanDerWaalsContact CG2-CD2 3.46Å; I1032-F1050 HydrophobicContact CG2-CE1 3.58Å; I1032-F1050 HydrophobicContact CG2-CE2 3.38Å; I1032-F1050 HydrophobicContact CG2-CG 3.6Å; I1032-F1050 HydrophobicContact CG2-CZ 3.44Å; I1032-F1050 VanDerWaalsContact CG2-CZ 3.44Å; I1032-F1050 WeakPolarHBondContact O-CD1 3.43Å; I1032-F1050 WeakPolarHBondContact O-CE1 3.18Å; I1032-I1052 HydrophobicContact CD1-CG2 4.27Å |
| 1033 | G | 88.2 | Confident | 83.8 | Confident | 10 Ų | 10 | 62.3 Ų | 62.3 | 10% | 0.103 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 157.1 | -178.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1016 | I1016-G1033 PolarHBondContact N-O 3.21Å |
| 1034 | R | 89.6 | Confident | 84.3 | Confident | 114 Ų | 114 | 60.2 Ų | 60.2 | 43% | 0.43 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 147 | 173.9 | -48.3 | 178.7 | 162.7 | 166.3 | -9.8 | 110.6 | C1014 E1015 N1036 D1037 I1070 | C1014-R1034 CarbonylContact O-C 3.57Å; C1014-R1034 WeakPolarHBondContact O-CA 3.33Å; E1015-R1034 HydrophobicContact CG-CG 4.13Å; E1015-R1034 IonicContact OE1-CZ 2.81Å; E1015-R1034 IonicContact OE1-NE 3.85Å; E1015-R1034 PolarHBondContact OE1-NE 2.89Å; E1015-R1034 IonicContact OE1-NH2 2.82Å; E1015-R1034 PolarHBondContact OE1-NH2 2.85Å; R1034-N1036 VanDerWaalsContact C-N 3.25Å; R1034-N1036 PolarHBondContact O-N 2.78Å; R1034-D1037 PolarHBondContact N-OD2 2.93Å; R1034-D1037 VanDerWaalsContact N-OD2 3.08Å; R1034-I1070 HydrophobicContact CB-CD1 4.45Å |
| 1035 | S | 83.2 | Confident | 84.7 | Confident | 3 Ų | 3 | 62.3 Ų | 62.3 | 2% | 0.021 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -33.7 | 177.9 | 59.4 | 0 | 0 | 0 | 0 | 113.1 | A1011 N1013 C1014 | A1011-S1035 WeakPolarHBondContact O-CB 3.22Å; N1013-S1035 PolarHBondContact N-OG 3.29Å; C1014-S1035 PolarHBondContact N-OG 3.33Å; C1014-S1035 PolarHBondContact O-N 3.47Å; C1014-S1035 PolarHBondContact O-OG 2.79Å |
| 1036 | N | 74.3 | Confident | 85.3 | Confident | 98 Ų | 98 | 65.1 Ų | 65.1 | 52% | 0.524 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 7.1 | -171.7 | -62 | 14.3 | 0 | 0 | 0 | 113.1 | N1013 R1034 | N1013-N1036 PolarHBondContact N-OD1 2.61Å; R1034-N1036 VanDerWaalsContact C-N 3.25Å; R1034-N1036 PolarHBondContact O-N 2.78Å |
| 1037 | D | 75 | Confident | 85.6 | Confident | 59 Ų | 59 | 65.9 Ų | 65.9 | 32% | 0.316 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -64.6 | 151.8 | 172.3 | -71.4 | -27.6 | 0 | 0 | 0 | 110.9 | R1034 K1039 G1040 | R1034-D1037 PolarHBondContact N-OD2 2.93Å; R1034-D1037 VanDerWaalsContact N-OD2 3.08Å; D1037-K1039 PolarHBondContact O-N 3.37Å; D1037-G1040 PolarHBondContact O-N 2.96Å |
| 1038 | D | 74 | Confident | 85.8 | Confident | 180 Ų | 180 | 64.7 Ų | 64.7 | 96% | 0.963 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | -18.9 | 178 | -55.5 | -47 | 0 | 0 | 0 | 115 | G1040 | D1038-G1040 VanDerWaalsContact C-N 3.27Å; D1038-G1040 PolarHBondContact O-N 2.88Å |
| 1039 | K | 76.5 | Confident | 86.2 | Confident | 156 Ų | 156 | 67.8 Ų | 67.8 | 68% | 0.678 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -11 | 178.2 | -65.3 | 166.3 | -174.9 | 165.9 | 0 | 113 | D1037 L1041 R1046 | D1037-K1039 PolarHBondContact O-N 3.37Å; K1039-L1041 HydrophobicContact CB-CD2 4.12Å; K1039-L1041 HydrophobicContact CB-CG 4.11Å; K1039-R1046 PolarHBondContact O-NH1 2.94Å; K1039-R1046 PolarHBondContact O-NH2 2.63Å |
| 1040 | G | 81 | Confident | 86.4 | Confident | 25 Ų | 25 | 65 Ų | 65 | 26% | 0.258 | 33% | 0.333 | S | S | . | . | trans | 58.2 | 47.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D1037 D1038 Q1043 R1046 | D1037-G1040 PolarHBondContact O-N 2.96Å; D1038-G1040 VanDerWaalsContact C-N 3.27Å; D1038-G1040 PolarHBondContact O-N 2.88Å; G1040-Q1043 WeakPolarHBondContact O-CG 3.22Å; G1040-R1046 PolarHBondContact O-NE 3.22Å; G1040-R1046 PolarHBondContact O-NH1 3.07Å | ||
| 1041 | L | 88.5 | Confident | 86.2 | Confident | 15 Ų | 15 | 70 Ų | 70 | 8% | 0.079 | 36% | 0.357 | C | S | . | . | trans | -69.1 | 157.7 | -175.2 | -59.5 | 175.7 | 0 | 0 | 0 | 111.8 | K1039 Q1043 F1050 | K1039-L1041 HydrophobicContact CB-CD2 4.12Å; K1039-L1041 HydrophobicContact CB-CG 4.11Å; L1041-Q1043 VanDerWaalsContact C-N 3.35Å; L1041-Q1043 PolarHBondContact O-N 3.5Å; L1041-F1050 HydrophobicContact CD1-CE1 4.17Å; L1041-F1050 HydrophobicContact CD1-CZ 4.45Å; L1041-F1050 HydrophobicContact CD2-CE1 4.21Å; L1041-F1050 HydrophobicContact CD2-CZ 4.2Å | ||
| 1042 | F | 90.5 | Very high | 86 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 34% | 0.336 | C | S | . | . | S | Bend | trans | 57.8 | 41.7 | 170.2 | -40.6 | -66.9 | 0 | 0 | 0 | 113.6 | I1005 T1007 S1010 A1011 I1016 I1032 D1048 F1050 W1078 | I1005-F1042 HydrophobicContact CD1-CE1 4.21Å; T1007-F1042 WeakPolarHBondContact CG2-O 3.16Å; S1010-F1042 CarbonylContact C-O 3.55Å; S1010-F1042 WeakPolarHBondContact CA-O 3.33Å; A1011-F1042 HydrophobicContact CB-CB 3.66Å; A1011-F1042 HydrophobicContact CB-CG 4.48Å; A1011-F1042 PolarHBondContact N-O 2.97Å; I1016-F1042 HydrophobicContact CB-CE1 4.19Å; I1016-F1042 HydrophobicContact CB-CE2 3.89Å; I1016-F1042 HydrophobicContact CB-CZ 3.68Å; I1016-F1042 HydrophobicContact CG1-CD1 4.25Å; I1016-F1042 HydrophobicContact CG1-CD2 3.64Å; I1016-F1042 HydrophobicContact CG1-CE1 4.06Å; I1016-F1042 HydrophobicContact CG1-CE2 3.43Å; I1016-F1042 VanDerWaalsContact CG1-CE2 3.43Å; I1016-F1042 HydrophobicContact CG1-CG 4.06Å; I1016-F1042 HydrophobicContact CG1-CZ 3.65Å; I1016-F1042 HydrophobicContact CG2-CE1 4.28Å; I1016-F1042 HydrophobicContact CG2-CZ 4.22Å; I1032-F1042 HydrophobicContact CB-CZ 4.29Å; I1032-F1042 HydrophobicContact CG2-CE1 4Å; I1032-F1042 HydrophobicContact CG2-CZ 3.86Å; F1042-D1048 PolarHBondContact N-OD2 2.85Å; F1042-F1050 AromaticContact CE1-CE2 3.93Å; F1042-F1050 HydrophobicContact CE1-CE2 3.93Å; F1042-F1050 AromaticContact CE1-CZ 3.63Å; F1042-F1050 HydrophobicContact CE1-CZ 3.63Å; F1042-F1050 HydrophobicContact CZ-CE2 4.48Å; F1042-F1050 AromaticContact CZ-CZ 3.81Å; F1042-F1050 HydrophobicContact CZ-CZ 3.81Å; F1042-W1078 AromaticContact CD1-CZ2 3.95Å; F1042-W1078 HydrophobicContact CD1-CZ2 3.95Å; F1042-W1078 HydrophobicContact CG-CZ2 4.41Å |
| 1043 | Q | 89.2 | Confident | 85.5 | Confident | 71 Ų | 71 | 71.8 Ų | 71.8 | 33% | 0.332 | 37% | 0.367 | S | S | . | . | trans | -88.4 | 151.2 | 175.8 | -65.3 | -60.8 | -44.8 | 0 | 0 | 112.1 | T1007 S1010 G1040 L1041 N1045 R1046 | T1007-Q1043 VanDerWaalsContact CB-O 3.31Å; T1007-Q1043 WeakPolarHBondContact CB-O 3.33Å; T1007-Q1043 WeakPolarHBondContact CG2-O 3.37Å; S1010-Q1043 WeakPolarHBondContact OG-CA 3.43Å; S1010-Q1043 PolarHBondContact OG-OE1 2.92Å; G1040-Q1043 WeakPolarHBondContact O-CG 3.22Å; L1041-Q1043 VanDerWaalsContact C-N 3.35Å; L1041-Q1043 PolarHBondContact O-N 3.5Å; Q1043-N1045 PolarHBondContact O-N 2.92Å; Q1043-R1046 HydrophobicContact CB-CB 4.15Å; Q1043-R1046 WeakPolarHBondContact O-CB 3.24Å; Q1043-R1046 PolarHBondContact O-N 2.94Å | ||
| 1044 | A | 89 | Confident | 85.1 | Confident | 43 Ų | 43 | 71.5 Ų | 71.5 | 36% | 0.355 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50 | 132.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | E1008 S1010 R1046 | E1008-A1044 WeakPolarHBondContact O-CA 3.47Å; E1008-A1044 VanDerWaalsContact O-CB 3.26Å; E1008-A1044 WeakPolarHBondContact O-CB 3.43Å; S1010-A1044 PolarHBondContact OG-N 3.32Å; A1044-R1046 PolarHBondContact O-N 2.72Å; A1044-R1046 VanDerWaalsContact O-N 3.16Å |
| 1045 | N | 86.5 | Confident | 84.3 | Confident | 149 Ų | 149 | 68.5 Ų | 68.5 | 80% | 0.797 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.6 | 11.5 | -175.8 | -58.9 | -92.5 | 0 | 0 | 0 | 115.4 | T1007 Q1043 | T1007-N1045 VanDerWaalsContact O-CA 3.29Å; T1007-N1045 WeakPolarHBondContact O-CA 3.34Å; T1007-N1045 PolarHBondContact O-N 2.88Å; Q1043-N1045 PolarHBondContact O-N 2.92Å |
| 1046 | R | 89.7 | Confident | 83.8 | Confident | 93 Ų | 93 | 73.1 Ų | 73.1 | 35% | 0.351 | 39% | 0.392 | S | S | . | . | trans | -91.8 | 145.9 | 175.1 | -170.1 | 173 | 154.7 | 156.5 | -8.6 | 111 | T1007 K1039 G1040 Q1043 A1044 D1048 | T1007-R1046 PolarHBondContact N-O 3.16Å; K1039-R1046 PolarHBondContact O-NH1 2.94Å; K1039-R1046 PolarHBondContact O-NH2 2.63Å; G1040-R1046 PolarHBondContact O-NE 3.22Å; G1040-R1046 PolarHBondContact O-NH1 3.07Å; Q1043-R1046 HydrophobicContact CB-CB 4.15Å; Q1043-R1046 WeakPolarHBondContact O-CB 3.24Å; Q1043-R1046 PolarHBondContact O-N 2.94Å; A1044-R1046 PolarHBondContact O-N 2.72Å; A1044-R1046 VanDerWaalsContact O-N 3.16Å; R1046-D1048 WeakPolarHBondContact CD-OD2 3.13Å; R1046-D1048 IonicContact CZ-OD1 2.79Å; R1046-D1048 IonicContact CZ-OD2 3.89Å; R1046-D1048 VanDerWaalsContact NE-CG 3.3Å; R1046-D1048 IonicContact NE-OD1 2.7Å; R1046-D1048 PolarHBondContact NE-OD1 3.24Å; R1046-D1048 IonicContact NE-OD2 2.71Å; R1046-D1048 PolarHBondContact NE-OD2 2.86Å; R1046-D1048 VanDerWaalsContact NE-OD2 3.1Å; R1046-D1048 IonicContact NH2-OD1 2.89Å; R1046-D1048 PolarHBondContact NH2-OD1 2.85Å | ||
| 1047 | I | 92 | Very high | 84.1 | Confident | 76 Ų | 76 | 69 Ų | 69 | 39% | 0.39 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 103 | 172.7 | -50 | 168.6 | 0 | 0 | 0 | 108.2 | I1005 Y1006 N1049 | I1005-I1047 WeakPolarHBondContact O-CA 3.16Å; Y1006-I1047 HydrophobicContact CD1-CD1 3.87Å; Y1006-I1047 HydrophobicContact CD1-CG1 3.74Å; Y1006-I1047 HydrophobicContact CD1-CG2 4.49Å; Y1006-I1047 HydrophobicContact CD2-CG2 4.11Å; Y1006-I1047 HydrophobicContact CE1-CD1 3.37Å; Y1006-I1047 HydrophobicContact CE1-CG1 3.76Å; Y1006-I1047 HydrophobicContact CE1-CG2 4.31Å; Y1006-I1047 HydrophobicContact CE2-CG2 3.89Å; Y1006-I1047 HydrophobicContact CG-CG1 4.24Å; Y1006-I1047 HydrophobicContact CG-CG2 4.38Å; I1047-N1049 PolarHBondContact O-ND2 2.83Å |
| 1048 | D | 91.2 | Very high | 84.3 | Confident | 8 Ų | 8 | 67.2 Ų | 67.2 | 4% | 0.043 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 138.1 | 177.1 | -76.3 | -64.6 | 0 | 0 | 0 | 111.5 | S1004 I1005 F1042 R1046 F1050 | S1004-D1048 WeakPolarHBondContact CA-O 3.27Å; I1005-D1048 PolarHBondContact N-O 3.48Å; I1005-D1048 PolarHBondContact O-N 3.22Å; F1042-D1048 PolarHBondContact N-OD2 2.85Å; R1046-D1048 WeakPolarHBondContact CD-OD2 3.13Å; R1046-D1048 IonicContact CZ-OD1 2.79Å; R1046-D1048 IonicContact CZ-OD2 3.89Å; R1046-D1048 VanDerWaalsContact NE-CG 3.3Å; R1046-D1048 IonicContact NE-OD1 2.7Å; R1046-D1048 PolarHBondContact NE-OD1 3.24Å; R1046-D1048 IonicContact NE-OD2 2.71Å; R1046-D1048 PolarHBondContact NE-OD2 2.86Å; R1046-D1048 VanDerWaalsContact NE-OD2 3.1Å; R1046-D1048 IonicContact NH2-OD1 2.89Å; R1046-D1048 PolarHBondContact NH2-OD1 2.85Å; D1048-F1050 HydrophobicContact CB-CE2 3.5Å; D1048-F1050 HydrophobicContact CB-CZ 3.58Å |
| 1049 | N | 91.8 | Very high | 84.7 | Confident | 85 Ų | 85 | 62.8 Ų | 62.8 | 46% | 0.455 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 116 | -162.9 | -75.5 | -103.2 | 0 | 0 | 0 | 110 | K1002 L1003 S1004 I1047 | K1002-N1049 WeakPolarHBondContact CE-OD1 3.26Å; K1002-N1049 PolarHBondContact NZ-OD1 3.39Å; L1003-N1049 WeakPolarHBondContact O-CA 3.07Å; S1004-N1049 PolarHBondContact OG-OD1 3.14Å; I1047-N1049 PolarHBondContact O-ND2 2.83Å |
| 1050 | F | 92.1 | Very high | 85.3 | Confident | 33 Ų | 33 | 55.7 Ų | 55.7 | 15% | 0.145 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 161.2 | -173.7 | -48 | -92.8 | 0 | 0 | 0 | 111.2 | L1003 I1005 I1032 L1041 F1042 D1048 | L1003-F1050 HydrophobicContact CB-CB 4.12Å; L1003-F1050 HydrophobicContact CD2-CB 4.08Å; L1003-F1050 HydrophobicContact CD2-CD2 3.97Å; L1003-F1050 HydrophobicContact CD2-CG 4.33Å; L1003-F1050 HydrophobicContact CG-CB 4.39Å; L1003-F1050 HydrophobicContact CG-CD2 4.15Å; L1003-F1050 PolarHBondContact N-O 2.71Å; L1003-F1050 PolarHBondContact O-N 2.73Å; I1005-F1050 HydrophobicContact CD1-CE2 4.21Å; I1032-F1050 HydrophobicContact CG2-CB 4.48Å; I1032-F1050 HydrophobicContact CG2-CD1 3.65Å; I1032-F1050 HydrophobicContact CG2-CD2 3.46Å; I1032-F1050 VanDerWaalsContact CG2-CD2 3.46Å; I1032-F1050 HydrophobicContact CG2-CE1 3.58Å; I1032-F1050 HydrophobicContact CG2-CE2 3.38Å; I1032-F1050 HydrophobicContact CG2-CG 3.6Å; I1032-F1050 HydrophobicContact CG2-CZ 3.44Å; I1032-F1050 VanDerWaalsContact CG2-CZ 3.44Å; I1032-F1050 WeakPolarHBondContact O-CD1 3.43Å; I1032-F1050 WeakPolarHBondContact O-CE1 3.18Å; L1041-F1050 HydrophobicContact CD1-CE1 4.17Å; L1041-F1050 HydrophobicContact CD1-CZ 4.45Å; L1041-F1050 HydrophobicContact CD2-CE1 4.21Å; L1041-F1050 HydrophobicContact CD2-CZ 4.2Å; F1042-F1050 AromaticContact CE1-CE2 3.93Å; F1042-F1050 HydrophobicContact CE1-CE2 3.93Å; F1042-F1050 AromaticContact CE1-CZ 3.63Å; F1042-F1050 HydrophobicContact CE1-CZ 3.63Å; F1042-F1050 HydrophobicContact CZ-CE2 4.48Å; F1042-F1050 AromaticContact CZ-CZ 3.81Å; F1042-F1050 HydrophobicContact CZ-CZ 3.81Å; D1048-F1050 HydrophobicContact CB-CE2 3.5Å; D1048-F1050 HydrophobicContact CB-CZ 3.58Å |
| 1051 | M | 86.5 | Confident | 85.6 | Confident | 140 Ų | 140 | 56 Ų | 56 | 69% | 0.69 | 31% | 0.31 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 109.8 | -178.6 | -75.7 | -75.6 | -59.5 | 0 | 0 | 108.3 | I1088 | M1051-I1088 HydrophobicContact CE-CD1 3.4Å; M1051-I1088 VanDerWaalsContact CE-CD1 3.4Å; M1051-I1088 HydrophobicContact SD-CD1 3.55Å; M1051-I1088 VanDerWaalsContact SD-CD1 3.55Å |
| 1052 | I | 86.5 | Confident | 85.6 | Confident | 10 Ų | 10 | 55.4 Ų | 55.4 | 5% | 0.051 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 141.7 | -177.1 | 71 | 177.8 | 0 | 0 | 0 | 111.3 | W1001 L1003 L1018 V1020 I1030 I1032 L1054 L1085 | W1001-I1052 HydrophobicContact CB-CG1 3.9Å; W1001-I1052 PolarHBondContact N-O 3.5Å; W1001-I1052 PolarHBondContact O-N 2.71Å; L1003-I1052 HydrophobicContact CB-CG2 4.38Å; L1003-I1052 HydrophobicContact CD2-CG2 4.29Å; L1018-I1052 HydrophobicContact CD2-CD1 3.85Å; V1020-I1052 HydrophobicContact CG2-CD1 4.34Å; I1030-I1052 HydrophobicContact CD1-CB 4.4Å; I1030-I1052 HydrophobicContact CD1-CD1 4.37Å; I1030-I1052 HydrophobicContact CG2-CG2 4.28Å; I1032-I1052 HydrophobicContact CD1-CG2 4.27Å; I1052-L1054 HydrophobicContact CD1-CD1 4.31Å; I1052-L1054 HydrophobicContact CD1-CD2 3.95Å; I1052-L1054 HydrophobicContact CD1-CG 4.18Å; I1052-L1054 HydrophobicContact CG1-CD2 4.33Å; I1052-L1054 HydrophobicContact CG1-CG 4.26Å; I1052-L1085 HydrophobicContact CD1-CD2 3.6Å; I1052-L1085 HydrophobicContact CG1-CD2 4.47Å |
| 1053 | L | 81.1 | Confident | 85.8 | Confident | 139 Ų | 139 | 55.4 Ų | 55.4 | 73% | 0.728 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106 | 107.7 | 175 | -75.1 | 165.7 | 0 | 0 | 0 | 108 | ||
| 1054 | L | 78.5 | Confident | 85.9 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | trans | -94.9 | 134.6 | 176 | -58.6 | -178.8 | 0 | 0 | 0 | 109 | S999 W1001 V1020 I1030 I1052 I1057 I1060 | S999-L1054 VanDerWaalsContact CA-O 3.29Å; S999-L1054 WeakPolarHBondContact CA-O 3.45Å; S999-L1054 WeakPolarHBondContact CB-O 3.45Å; S999-L1054 PolarHBondContact O-N 2.9Å; W1001-L1054 HydrophobicContact CD2-CD1 4.35Å; W1001-L1054 HydrophobicContact CG-CD1 4.01Å; W1001-L1054 HydrophobicContact CG-CG 4.48Å; V1020-L1054 HydrophobicContact CB-CD1 4.12Å; V1020-L1054 HydrophobicContact CB-CD2 3.97Å; V1020-L1054 HydrophobicContact CG1-CD1 3.74Å; V1020-L1054 HydrophobicContact CG2-CD1 4.24Å; V1020-L1054 HydrophobicContact CG2-CD2 3.95Å; I1030-L1054 HydrophobicContact CD1-CD2 3.75Å; I1052-L1054 HydrophobicContact CD1-CD1 4.31Å; I1052-L1054 HydrophobicContact CD1-CD2 3.95Å; I1052-L1054 HydrophobicContact CD1-CG 4.18Å; I1052-L1054 HydrophobicContact CG1-CD2 4.33Å; I1052-L1054 HydrophobicContact CG1-CG 4.26Å; L1054-I1057 HydrophobicContact CB-CD1 4.32Å; L1054-I1057 HydrophobicContact CD1-CD1 4.27Å; L1054-I1060 HydrophobicContact CD1-CD1 3.7Å | ||
| 1055 | G | 72.8 | Confident | 86.2 | Confident | 52 Ų | 52 | 50 Ų | 50 | 54% | 0.536 | 27% | 0.274 | S | S | . | . | trans | -63.4 | -174.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | I1057 | G1055-I1057 PolarHBondContact O-N 3.17Š| ||
| 1056 | N | 74 | Confident | 86.3 | Confident | 99 Ų | 99 | 44.2 Ų | 44.2 | 53% | 0.529 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -76.5 | 68.2 | 171.6 | -169 | 84.4 | 0 | 0 | 0 | 110.7 | G1058 | N1056-G1058 VanDerWaalsContact C-N 3.26Š|
| 1057 | I | 78.9 | Confident | 86.3 | Confident | 12 Ų | 12 | 39.9 Ų | 39.9 | 6% | 0.062 | 23% | 0.226 | C | C | . | . | trans | -85.1 | 3.4 | 176.9 | 63.6 | 171.6 | 0 | 0 | 0 | 112.9 | V1020 G1022 I1023 D1024 L1054 G1055 I1060 | V1020-I1057 HydrophobicContact CB-CD1 4.27Å; V1020-I1057 HydrophobicContact CG1-CD1 3.9Å; G1022-I1057 CarbonylContact C-O 3.56Å; G1022-I1057 WeakPolarHBondContact CA-O 3.24Å; I1023-I1057 PolarHBondContact N-O 2.74Å; D1024-I1057 PolarHBondContact N-O 3.37Å; L1054-I1057 HydrophobicContact CB-CD1 4.32Å; L1054-I1057 HydrophobicContact CD1-CD1 4.27Å; G1055-I1057 PolarHBondContact O-N 3.17Å; I1057-I1060 HydrophobicContact CD1-CG1 4.12Å | ||
| 1058 | G | 79.4 | Confident | 85.9 | Confident | 22 Ų | 22 | 39.7 Ų | 39.7 | 23% | 0.227 | 23% | 0.226 | C | C | . | . | trans | 72.6 | -168.7 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | D1024 N1056 I1060 | D1024-G1058 WeakPolarHBondContact OD2-CA 3.2Å; D1024-G1058 PolarHBondContact OD2-N 3.4Å; N1056-G1058 VanDerWaalsContact C-N 3.26Å; G1058-I1060 PolarHBondContact O-N 2.81Å; G1058-I1060 VanDerWaalsContact O-N 3.1Å | ||
| 1059 | P | 83.5 | Confident | 85.3 | Confident | 86 Ų | 86 | 41.5 Ų | 41.5 | 56% | 0.558 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -47.6 | 110.7 | 166.8 | -31.6 | 34.2 | 0 | 0 | 0 | 113.8 | G1022 I1023 Y1061 | G1022-P1059 WeakPolarHBondContact CA-O 3.34Å; I1023-P1059 HydrophobicContact CD1-CB 4.27Å; I1023-P1059 HydrophobicContact CD1-CG 3.87Å; I1023-P1059 HydrophobicContact CG1-CB 4.27Å; I1023-P1059 HydrophobicContact CG1-CG 4.17Å; I1023-P1059 PolarHBondContact N-O 3.23Å; I1023-P1059 VanDerWaalsContact N-O 3.13Å; P1059-Y1061 PolarHBondContact O-N 2.82Å |
| 1060 | I | 89.1 | Confident | 84.6 | Confident | 8 Ų | 8 | 41.2 Ų | 41.2 | 4% | 0.041 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 130.1 | 173.9 | -58.7 | 167.8 | 0 | 0 | 0 | 110 | W1001 V1020 Y1021 L1054 I1057 G1058 L1085 L1094 F1096 M1118 | W1001-I1060 HydrophobicContact CD2-CD1 4.34Å; W1001-I1060 HydrophobicContact CE3-CD1 4.48Å; W1001-I1060 HydrophobicContact CH2-CD1 3.67Å; W1001-I1060 HydrophobicContact CZ2-CD1 3.48Å; W1001-I1060 VanDerWaalsContact CZ2-CD1 3.48Å; W1001-I1060 HydrophobicContact CZ2-CG1 4.48Å; W1001-I1060 HydrophobicContact CZ3-CD1 4.17Å; V1020-I1060 HydrophobicContact CG1-CB 4.39Å; V1020-I1060 HydrophobicContact CG1-CD1 3.75Å; V1020-I1060 HydrophobicContact CG1-CG1 3.84Å; V1020-I1060 HydrophobicContact CG1-CG2 3.64Å; Y1021-I1060 CarbonylContact O-C 3.5Å; Y1021-I1060 WeakPolarHBondContact O-CA 3.2Å; L1054-I1060 HydrophobicContact CD1-CD1 3.7Å; I1057-I1060 HydrophobicContact CD1-CG1 4.12Å; G1058-I1060 PolarHBondContact O-N 2.81Å; G1058-I1060 VanDerWaalsContact O-N 3.1Å; I1060-L1085 HydrophobicContact CD1-CD1 4.4Å; I1060-L1094 HydrophobicContact CB-CD1 3.74Å; I1060-L1094 HydrophobicContact CD1-CD1 3.93Å; I1060-L1094 HydrophobicContact CG1-CD1 4.41Å; I1060-L1094 HydrophobicContact CG2-CD1 3.89Å; I1060-F1096 HydrophobicContact CG2-CZ 4.09Å; I1060-M1118 WeakPolarHBondContact O-CE 3.35Å |
| 1061 | Y | 86.5 | Confident | 83.5 | Confident | 31 Ų | 31 | 43.4 Ų | 43.4 | 12% | 0.122 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | -26 | 176.8 | 69.4 | -99.5 | 0 | 0 | 0 | 113.6 | Y1021 G1022 I1023 P1059 I1117 M1118 L1147 Y1183 | Y1021-Y1061 PolarHBondContact O-N 2.73Å; G1022-Y1061 VanDerWaalsContact C-CE1 3.42Å; G1022-Y1061 WeakPolarHBondContact O-CE1 3.45Å; I1023-Y1061 HydrophobicContact CG2-CD1 3.95Å; I1023-Y1061 HydrophobicContact CG2-CE1 4.47Å; P1059-Y1061 PolarHBondContact O-N 2.82Å; Y1061-I1117 CarbonylContact O-C 3.6Å; Y1061-I1117 WeakPolarHBondContact O-CA 3.21Å; Y1061-M1118 PolarHBondContact O-N 2.83Å; Y1061-L1147 HydrophobicContact CD2-CD1 3.43Å; Y1061-L1147 VanDerWaalsContact CD2-CD1 3.43Å; Y1061-L1147 HydrophobicContact CD2-CD2 4.12Å; Y1061-L1147 HydrophobicContact CD2-CG 4.42Å; Y1061-L1147 HydrophobicContact CE2-CD1 4.21Å; Y1061-L1147 HydrophobicContact CE2-CD2 4.18Å; Y1061-L1147 HydrophobicContact CG-CD1 3.8Å; Y1061-Y1183 PolarHBondContact OH-O 3.21Å |
| 1062 | K | 89.5 | Confident | 82.4 | Confident | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.009 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 153.6 | -176.7 | 157.5 | 171.5 | 129.3 | 166.1 | 0 | 110.9 | Y1021 E1115 Q1116 D1185 A1218 | Y1021-K1062 WeakPolarHBondContact CB-O 3.46Å; Y1021-K1062 HydrophobicContact CD2-CD 4.3Å; Y1021-K1062 HydrophobicContact CD2-CG 3.83Å; Y1021-K1062 HydrophobicContact CG-CB 4.38Å; Y1021-K1062 HydrophobicContact CG-CD 4.3Å; Y1021-K1062 HydrophobicContact CG-CG 4.01Å; Y1021-K1062 PolarHBondContact N-O 3.38Å; Y1021-K1062 PolarHBondContact O-N 3.4Å; K1062-E1115 HydrophobicContact CD-CG 4.42Å; K1062-E1115 VanDerWaalsContact CD-OE2 3.29Å; K1062-E1115 WeakPolarHBondContact CD-OE2 3.45Å; K1062-E1115 VanDerWaalsContact CE-CD 3.44Å; K1062-E1115 WeakPolarHBondContact CE-OE1 3.42Å; K1062-E1115 VanDerWaalsContact CE-OE2 3.26Å; K1062-E1115 WeakPolarHBondContact CE-OE2 3.37Å; K1062-E1115 IonicContact NZ-OE1 3.05Å; K1062-E1115 PolarHBondContact NZ-OE1 2.68Å; K1062-E1115 IonicContact NZ-OE2 3.55Å; K1062-E1115 PolarHBondContact NZ-OE2 2.99Å; K1062-Q1116 CarbonylContact C-O 3.49Å; K1062-Q1116 WeakPolarHBondContact CA-O 3.24Å; K1062-D1185 PolarHBondContact NZ-O 2.89Å; K1062-A1218 HydrophobicContact CD-CB 3.52Å; K1062-A1218 HydrophobicContact CG-CB 4.44Å |
| 1063 | I | 93.5 | Very high | 81.1 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 162.3 | 161.6 | 63.1 | 171.9 | 0 | 0 | 0 | 110.1 | L1018 F1019 V1020 L1083 L1085 F1096 F1098 E1115 Q1116 | L1018-I1063 HydrophobicContact CD1-CB 4.14Å; L1018-I1063 HydrophobicContact CD1-CD1 4.38Å; L1018-I1063 HydrophobicContact CD1-CG2 4.49Å; F1019-I1063 CarbonylContact O-C 3.5Å; F1019-I1063 VanDerWaalsContact O-CA 3.23Å; F1019-I1063 WeakPolarHBondContact O-CA 3.39Å; F1019-I1063 WeakPolarHBondContact O-CB 3.17Å; V1020-I1063 HydrophobicContact CB-CG2 4.39Å; V1020-I1063 HydrophobicContact CG1-CG2 4.09Å; V1020-I1063 HydrophobicContact CG2-CG2 4.13Å; I1063-L1083 HydrophobicContact CD1-CB 4.39Å; I1063-L1083 HydrophobicContact CD1-CD1 3.81Å; I1063-L1083 HydrophobicContact CD1-CD2 3.72Å; I1063-L1083 HydrophobicContact CD1-CG 4.18Å; I1063-L1085 HydrophobicContact CG2-CD1 4.14Å; I1063-F1096 HydrophobicContact CD1-CB 3.59Å; I1063-F1096 HydrophobicContact CD1-CD1 3.93Å; I1063-F1096 HydrophobicContact CD1-CD2 3.7Å; I1063-F1096 HydrophobicContact CD1-CE2 4.33Å; I1063-F1096 HydrophobicContact CD1-CG 3.46Å; I1063-F1096 VanDerWaalsContact CD1-CG 3.46Å; I1063-F1096 HydrophobicContact CG1-CB 4.22Å; I1063-F1096 HydrophobicContact CG1-CD1 3.73Å; I1063-F1096 HydrophobicContact CG1-CD2 4.3Å; I1063-F1096 HydrophobicContact CG1-CE1 4.11Å; I1063-F1096 HydrophobicContact CG1-CG 3.84Å; I1063-F1096 HydrophobicContact CG2-CD2 4.41Å; I1063-F1096 HydrophobicContact CG2-CE1 4.09Å; I1063-F1096 HydrophobicContact CG2-CE2 3.99Å; I1063-F1096 HydrophobicContact CG2-CZ 3.82Å; I1063-F1098 HydrophobicContact CD1-CE2 3.97Å; I1063-F1098 HydrophobicContact CD1-CZ 4.07Å; I1063-F1098 HydrophobicContact CG1-CZ 4.35Å; I1063-E1115 CarbonylContact O-C 3.6Å; I1063-E1115 VanDerWaalsContact O-CA 3.26Å; I1063-E1115 WeakPolarHBondContact O-CA 3.34Å; I1063-Q1116 HydrophobicContact CG1-CB 4.36Å; I1063-Q1116 PolarHBondContact N-O 3.07Å; I1063-Q1116 PolarHBondContact O-N 3.12Å |
| 1064 | R | 92.9 | Very high | 80.1 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.008 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 136.2 | 166 | -167.6 | -175.5 | -58.1 | 140.7 | 2.8 | 109.7 | L1018 F1019 Y1021 E1066 S1113 R1114 E1115 D1185 S1186 G1187 | L1018-R1064 WeakPolarHBondContact CA-O 3.39Å; F1019-R1064 HydrophobicContact CB-CB 4.15Å; F1019-R1064 PolarHBondContact N-O 3.2Å; F1019-R1064 PolarHBondContact O-N 3.29Å; Y1021-R1064 HydrophobicContact CE2-CB 4.48Å; Y1021-R1064 VanDerWaalsContact OH-CZ 3.28Å; Y1021-R1064 PolarHBondContact OH-NH1 3.24Å; Y1021-R1064 VanDerWaalsContact OH-NH1 3.16Å; Y1021-R1064 PolarHBondContact OH-NH2 3.45Å; R1064-E1066 WeakPolarHBondContact CD-OE1 3.2Å; R1064-E1066 HydrophobicContact CG-CG 3.94Å; R1064-E1066 IonicContact NE-OE1 3.01Å; R1064-E1066 IonicContact NH1-OE1 3.27Å; R1064-S1113 WeakPolarHBondContact CD-OG 3.37Å; R1064-R1114 WeakPolarHBondContact CA-O 3.32Å; R1064-E1115 HydrophobicContact CB-CG 3.86Å; R1064-E1115 HydrophobicContact CG-CG 3.72Å; R1064-E1115 IonicContact CZ-OE1 3.98Å; R1064-E1115 VanDerWaalsContact CZ-OE1 3.23Å; R1064-E1115 IonicContact NE-OE1 3.73Å; R1064-E1115 PolarHBondContact NE-OE1 3.13Å; R1064-E1115 IonicContact NH2-OE1 3.05Å; R1064-E1115 PolarHBondContact NH2-OE1 3.2Å; R1064-D1185 IonicContact CZ-OD1 3.24Å; R1064-D1185 VanDerWaalsContact CZ-OD1 3.24Å; R1064-D1185 IonicContact NH1-OD1 2.76Å; R1064-D1185 PolarHBondContact NH1-OD1 3.2Å; R1064-D1185 PolarHBondContact NH2-O 3.12Å; R1064-D1185 IonicContact NH2-OD1 2.84Å; R1064-D1185 PolarHBondContact NH2-OD1 3.44Å; R1064-D1185 IonicContact NH2-OD2 2.64Å; R1064-S1186 VanDerWaalsContact CZ-C 3.46Å; R1064-S1186 PolarHBondContact NE-O 3.08Å; R1064-S1186 PolarHBondContact NH2-O 3.18Å; R1064-G1187 VanDerWaalsContact CZ-N 3.3Å |
| 1065 | L | 93.3 | Very high | 79.2 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 135.3 | 163.3 | -73.9 | 171.1 | 0 | 0 | 0 | 108.2 | I1016 I1017 L1018 W1078 L1083 F1098 F1103 S1113 R1114 | I1016-L1065 HydrophobicContact CG2-CD2 4.24Å; I1017-L1065 CarbonylContact O-C 3.57Å; I1017-L1065 WeakPolarHBondContact O-CA 3.39Å; L1018-L1065 HydrophobicContact CB-CD2 4.26Å; L1018-L1065 HydrophobicContact CD1-CD2 3.92Å; L1018-L1065 HydrophobicContact CD1-CG 4.46Å; L1065-W1078 HydrophobicContact CD1-CH2 4.11Å; L1065-W1078 HydrophobicContact CD1-CZ3 4.2Å; L1065-L1083 HydrophobicContact CD1-CD1 3.9Å; L1065-L1083 HydrophobicContact CD2-CD1 3.92Å; L1065-L1083 HydrophobicContact CG-CD1 4.09Å; L1065-F1098 HydrophobicContact CD1-CE1 4.33Å; L1065-F1098 HydrophobicContact CD1-CE2 4.04Å; L1065-F1098 HydrophobicContact CD1-CZ 3.9Å; L1065-F1098 HydrophobicContact CG-CZ 4.33Å; L1065-F1103 HydrophobicContact CB-CE1 3.83Å; L1065-F1103 HydrophobicContact CB-CZ 3.69Å; L1065-F1103 HydrophobicContact CD1-CE2 4.45Å; L1065-F1103 HydrophobicContact CD1-CZ 3.97Å; L1065-F1103 HydrophobicContact CG-CZ 4.49Å; L1065-S1113 WeakPolarHBondContact O-CA 3.14Å; L1065-R1114 PolarHBondContact N-O 3.18Å; L1065-R1114 PolarHBondContact O-N 3.19Å |
| 1066 | E | 90.7 | Very high | 78.7 | Confident | 26 Ų | 26 | 50.1 Ų | 50.1 | 12% | 0.121 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 140 | 174.9 | -47.8 | -161.1 | 137.2 | 0 | 0 | 109.4 | I1017 F1019 R1064 L1112 S1113 | I1017-E1066 HydrophobicContact CB-CB 4.42Å; I1017-E1066 PolarHBondContact N-O 3.29Å; I1017-E1066 PolarHBondContact O-N 3.39Å; F1019-E1066 HydrophobicContact CD2-CG 4.3Å; F1019-E1066 HydrophobicContact CE2-CG 4.04Å; F1019-E1066 WeakPolarHBondContact CE2-OE2 3.33Å; R1064-E1066 WeakPolarHBondContact CD-OE1 3.2Å; R1064-E1066 HydrophobicContact CG-CG 3.94Å; R1064-E1066 IonicContact NE-OE1 3.01Å; R1064-E1066 IonicContact NH1-OE1 3.27Å; E1066-L1112 CarbonylContact C-O 3.58Å; E1066-L1112 WeakPolarHBondContact CA-O 3.44Å; E1066-S1113 WeakPolarHBondContact CG-OG 3.49Å; E1066-S1113 PolarHBondContact OE1-OG 3.5Å; E1066-S1113 VanDerWaalsContact OE1-OG 3.04Å |
| 1067 | V | 88.9 | Confident | 78.9 | Confident | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.018 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 104.5 | -177.9 | -177.9 | 0 | 0 | 0 | 0 | 108.1 | C1014 I1016 W1078 F1103 L1112 | C1014-V1067 HydrophobicContact CB-CG1 3.58Å; I1016-V1067 HydrophobicContact CD1-CB 4.47Å; I1016-V1067 HydrophobicContact CD1-CG1 4.24Å; I1016-V1067 HydrophobicContact CD1-CG2 3.94Å; V1067-W1078 HydrophobicContact CG2-CE3 3.67Å; V1067-W1078 HydrophobicContact CG2-CZ3 4.07Å; V1067-F1103 HydrophobicContact CG2-CB 3.89Å; V1067-F1103 HydrophobicContact CG2-CD1 3.75Å; V1067-F1103 HydrophobicContact CG2-CG 3.95Å; V1067-L1112 HydrophobicContact CB-CB 4.41Å; V1067-L1112 HydrophobicContact CB-CD2 4.23Å; V1067-L1112 WeakPolarHBondContact CB-O 3.33Å; V1067-L1112 HydrophobicContact CG1-CD2 4.26Å; V1067-L1112 PolarHBondContact N-O 2.97Å |
| 1068 | N | 83.6 | Confident | 79.5 | Confident | 71 Ų | 71 | 48.4 Ų | 48.4 | 38% | 0.38 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 114.7 | 173.3 | -71.3 | -4.7 | 0 | 0 | 0 | 108.7 | C1014 E1015 I1017 | C1014-N1068 CarbonylContact C-O 3.54Å; C1014-N1068 WeakPolarHBondContact CA-O 3.29Å; C1014-N1068 WeakPolarHBondContact CB-O 3.22Å; E1015-N1068 HydrophobicContact CB-CB 4.25Å; E1015-N1068 PolarHBondContact N-O 3.35Å; E1015-N1068 PolarHBondContact O-N 2.87Å; I1017-N1068 WeakPolarHBondContact CD1-ND2 3.21Å |
| 1069 | Q | 77.8 | Confident | 80 | Confident | 47 Ų | 47 | 50.1 Ų | 50.1 | 22% | 0.22 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 136 | 171.3 | -68.2 | 171.7 | -77.4 | 0 | 0 | 109.9 | H1074 L1112 | Q1069-H1074 PolarHBondContact NE2-O 3.19Å; Q1069-L1112 HydrophobicContact CG-CD1 4.48Å; Q1069-L1112 HydrophobicContact CG-CD2 4.47Å |
| 1070 | I | 78.4 | Confident | 80.4 | Confident | 78 Ų | 78 | 46 Ų | 46 | 40% | 0.4 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -83 | -42.3 | 179.8 | -66.3 | 168.4 | 0 | 0 | 0 | 110.1 | N1013 E1015 R1034 | N1013-I1070 WeakPolarHBondContact O-CB 3.41Å; N1013-I1070 PolarHBondContact O-N 2.86Å; E1015-I1070 HydrophobicContact CG-CD1 4.28Å; E1015-I1070 HydrophobicContact CG-CG1 4.07Å; R1034-I1070 HydrophobicContact CB-CD1 4.45Å |
| 1071 | N | 69.2 | Low | 80.5 | Confident | 79 Ų | 79 | 47.2 Ų | 47.2 | 42% | 0.422 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -121.7 | 129.4 | 161.9 | -45.3 | -21.7 | 0 | 0 | 0 | 107.6 | N1013 D1073 | N1013-N1071 VanDerWaalsContact ND2-CB 3.33Å; N1013-N1071 WeakPolarHBondContact ND2-CB 3.25Å; N1013-N1071 PolarHBondContact ND2-N 2.96Å; N1013-N1071 PolarHBondContact ND2-O 3.2Å; N1071-D1073 VanDerWaalsContact C-N 3.29Å; N1071-D1073 PolarHBondContact O-N 3.48Å |
| 1072 | P | 63.3 | Low | 80.8 | Confident | 94 Ų | 94 | 48.4 Ų | 48.4 | 61% | 0.61 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -32.6 | 178.7 | -23.7 | 34.7 | 0 | 0 | 0 | 113.8 | H1074 | P1072-H1074 PolarHBondContact O-N 2.92Š|
| 1073 | D | 59.2 | Low | 81.1 | Confident | 143 Ų | 143 | 48.3 Ų | 48.3 | 77% | 0.765 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | 0.4 | -171.8 | -47.3 | -25.3 | 0 | 0 | 0 | 116 | N1071 | N1071-D1073 VanDerWaalsContact C-N 3.29Å; N1071-D1073 PolarHBondContact O-N 3.48Å |
| 1074 | H | 58.5 | Low | 81.1 | Confident | 120 Ų | 120 | 49.2 Ų | 49.2 | 56% | 0.556 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -128.1 | 110.8 | -179.2 | -72.9 | 2.6 | 0 | 0 | 0 | 110.7 | Q1069 P1072 S1076 | Q1069-H1074 PolarHBondContact NE2-O 3.19Å; P1072-H1074 PolarHBondContact O-N 2.92Å; H1074-S1076 PolarHBondContact O-N 3.41Å; H1074-S1076 VanDerWaalsContact O-N 3.11Å; H1074-S1076 PolarHBondContact O-OG 3.33Å |
| 1075 | D | 59.9 | Low | 81.1 | Confident | 125 Ų | 125 | 49.1 Ų | 49.1 | 67% | 0.668 | 25% | 0.254 | S | S | * | . | trans | -54.3 | 115.7 | 174.1 | -75.4 | -50.6 | 0 | 0 | 0 | 110.9 | ||||
| 1076 | S | 63.5 | Low | 81 | Confident | 5 Ų | 5 | 51.3 Ų | 51.3 | 4% | 0.035 | 26% | 0.264 | C | S | . | . | trans | -116.2 | 76.6 | -168.9 | -64.2 | 0 | 0 | 0 | 0 | 110 | Q1012 H1074 | Q1012-S1076 WeakPolarHBondContact O-CB 3.28Å; Q1012-S1076 PolarHBondContact O-OG 3.44Å; H1074-S1076 PolarHBondContact O-N 3.41Å; H1074-S1076 VanDerWaalsContact O-N 3.11Å; H1074-S1076 PolarHBondContact O-OG 3.33Å | ||
| 1077 | E | 78.1 | Confident | 80.7 | Confident | 74 Ų | 74 | 50.1 Ų | 50.1 | 35% | 0.346 | 26% | 0.259 | S | S | . | . | trans | -78.9 | 113.6 | 178.4 | -65.2 | -176.4 | 95 | 0 | 0 | 111.8 | K1009 F1103 Y1106 | K1009-E1077 HydrophobicContact CD-CB 4.29Å; K1009-E1077 WeakPolarHBondContact CE-OE2 3.14Å; K1009-E1077 IonicContact NZ-OE1 2.75Å; K1009-E1077 PolarHBondContact NZ-OE1 3.16Å; K1009-E1077 IonicContact NZ-OE2 3.41Å; K1009-E1077 PolarHBondContact NZ-OE2 2.81Å; E1077-F1103 WeakPolarHBondContact CA-O 3.43Å; E1077-Y1106 WeakPolarHBondContact CB-OH 3.5Å; E1077-Y1106 WeakPolarHBondContact CG-OH 3.35Å; E1077-Y1106 WeakPolarHBondContact OE1-CE1 3.31Å; E1077-Y1106 PolarHBondContact OE1-OH 2.71Å; E1077-Y1106 VanDerWaalsContact OE1-OH 3.05Å | ||
| 1078 | W | 90.1 | Very high | 80.2 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | B | Isolated β-bridge | trans | -118.9 | 135 | 178.2 | 179 | 48.6 | 0 | 0 | 0 | 111.3 | I1005 K1009 A1011 I1016 F1042 L1065 V1067 V1080 F1103 | I1005-W1078 HydrophobicContact CG2-CH2 4.4Å; I1005-W1078 HydrophobicContact CG2-CZ2 3.93Å; K1009-W1078 VanDerWaalsContact O-CD1 3.25Å; A1011-W1078 HydrophobicContact CB-CB 4.08Å; A1011-W1078 HydrophobicContact CB-CD2 4.35Å; A1011-W1078 HydrophobicContact CB-CG 3.74Å; I1016-W1078 HydrophobicContact CD1-CD2 4.18Å; I1016-W1078 HydrophobicContact CD1-CE3 3.81Å; I1016-W1078 HydrophobicContact CD1-CH2 4.04Å; I1016-W1078 HydrophobicContact CD1-CZ2 4.4Å; I1016-W1078 HydrophobicContact CD1-CZ3 3.74Å; I1016-W1078 HydrophobicContact CG1-CH2 4.22Å; I1016-W1078 HydrophobicContact CG1-CZ2 4.46Å; I1016-W1078 HydrophobicContact CG1-CZ3 4.41Å; I1016-W1078 HydrophobicContact CG2-CH2 3.59Å; I1016-W1078 HydrophobicContact CG2-CZ2 4.43Å; I1016-W1078 HydrophobicContact CG2-CZ3 3.94Å; F1042-W1078 AromaticContact CD1-CZ2 3.95Å; F1042-W1078 HydrophobicContact CD1-CZ2 3.95Å; F1042-W1078 HydrophobicContact CG-CZ2 4.41Å; L1065-W1078 HydrophobicContact CD1-CH2 4.11Å; L1065-W1078 HydrophobicContact CD1-CZ3 4.2Å; V1067-W1078 HydrophobicContact CG2-CE3 3.67Å; V1067-W1078 HydrophobicContact CG2-CZ3 4.07Å; W1078-V1080 HydrophobicContact CD2-CG2 3.84Å; W1078-V1080 VanDerWaalsContact CE2-CG2 3.44Å; W1078-V1080 HydrophobicContact CE3-CG2 4.01Å; W1078-V1080 HydrophobicContact CH2-CG2 3.55Å; W1078-V1080 HydrophobicContact CZ2-CG2 3.33Å; W1078-V1080 HydrophobicContact CZ3-CG2 3.87Å; W1078-F1103 HydrophobicContact CB-CB 4.28Å; W1078-F1103 HydrophobicContact CD2-CD2 4.31Å; W1078-F1103 HydrophobicContact CE3-CB 4.3Å; W1078-F1103 HydrophobicContact CE3-CD1 4.48Å; W1078-F1103 AromaticContact CE3-CD2 3.58Å; W1078-F1103 HydrophobicContact CE3-CD2 3.58Å; W1078-F1103 AromaticContact CE3-CE2 3.96Å; W1078-F1103 HydrophobicContact CE3-CE2 3.96Å; W1078-F1103 AromaticContact CE3-CG 3.89Å; W1078-F1103 HydrophobicContact CE3-CG 3.89Å; W1078-F1103 HydrophobicContact CZ3-CD2 4.12Å; W1078-F1103 HydrophobicContact CZ3-CE2 4.02Å; W1078-F1103 HydrophobicContact CZ3-CZ 4.3Å; W1078-F1103 PolarHBondContact N-O 3.19Å; W1078-F1103 WeakPolarHBondContact O-CB 3.3Å; W1078-F1103 PolarHBondContact O-N 2.65Å |
| 1079 | E | 89.9 | Confident | 79.4 | Confident | 58 Ų | 58 | 50.5 Ų | 50.5 | 27% | 0.271 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 137.8 | 178 | -61 | -177.7 | 143.6 | 0 | 0 | 111.5 | E1008 K1009 P1102 | E1008-E1079 HydrophobicContact CB-CB 3.98Å; E1008-E1079 PolarHBondContact N-O 2.63Å; K1009-E1079 HydrophobicContact CB-CB 3.69Å; K1009-E1079 HydrophobicContact CB-CG 3.75Å; K1009-E1079 WeakPolarHBondContact CB-OE2 3.44Å; K1009-E1079 HydrophobicContact CD-CG 4Å; K1009-E1079 PolarHBondContact O-N 3.33Å; E1079-P1102 HydrophobicContact CG-CB 3.8Å |
| 1080 | V | 92.4 | Very high | 79.3 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.006 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 122.7 | -178.2 | 177.7 | 0 | 0 | 0 | 0 | 107.9 | I1005 Y1006 W1078 F1098 I1099 F1103 | I1005-V1080 HydrophobicContact CG2-CG1 4.07Å; I1005-V1080 HydrophobicContact CG2-CG2 4.27Å; Y1006-V1080 WeakPolarHBondContact O-CA 3.16Å; W1078-V1080 HydrophobicContact CD2-CG2 3.84Å; W1078-V1080 VanDerWaalsContact CE2-CG2 3.44Å; W1078-V1080 HydrophobicContact CE3-CG2 4.01Å; W1078-V1080 HydrophobicContact CH2-CG2 3.55Å; W1078-V1080 HydrophobicContact CZ2-CG2 3.33Å; W1078-V1080 HydrophobicContact CZ3-CG2 3.87Å; V1080-F1098 HydrophobicContact CB-CB 4Å; V1080-F1098 HydrophobicContact CG1-CB 4.15Å; V1080-F1098 HydrophobicContact CG1-CD2 4.21Å; V1080-F1098 HydrophobicContact CG1-CG 4.45Å; V1080-F1098 CarbonylContact O-C 3.55Å; V1080-F1098 WeakPolarHBondContact O-CA 3.46Å; V1080-F1098 WeakPolarHBondContact O-CB 3.33Å; V1080-I1099 PolarHBondContact O-N 3.5Å; V1080-F1103 HydrophobicContact CB-CE2 4.41Å; V1080-F1103 HydrophobicContact CG2-CD2 4.5Å; V1080-F1103 HydrophobicContact CG2-CE2 4.03Å |
| 1081 | D | 91.4 | Very high | 79.2 | Confident | 33 Ų | 33 | 47.1 Ų | 47.1 | 18% | 0.176 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | -49.1 | 173.5 | 121.4 | 66 | 0 | 0 | 0 | 109.3 | Y1006 F1098 I1099 | Y1006-D1081 WeakPolarHBondContact CB-OD2 3.21Å; Y1006-D1081 PolarHBondContact O-N 2.85Å; D1081-F1098 PolarHBondContact O-N 2.87Å; D1081-I1099 HydrophobicContact CB-CG1 4.05Å; D1081-I1099 WeakPolarHBondContact O-CG1 3.43Å; D1081-I1099 PolarHBondContact O-N 2.9Å |
| 1082 | K | 93.5 | Very high | 79.7 | Confident | 56 Ų | 56 | 48.7 Ų | 48.7 | 24% | 0.243 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 155.3 | 176.3 | 63.1 | -167.1 | 157.2 | -68.9 | 0 | 114.7 | Y1006 I1084 I1095 F1096 | Y1006-K1082 WeakPolarHBondContact CB-O 3.49Å; Y1006-K1082 HydrophobicContact CD2-CG 3.77Å; Y1006-K1082 HydrophobicContact CE2-CG 4.4Å; Y1006-K1082 HydrophobicContact CG-CG 3.89Å; Y1006-K1082 PolarHBondContact N-O 2.99Å; K1082-I1084 HydrophobicContact CD-CD1 4.42Å; K1082-I1084 HydrophobicContact CG-CG1 4.44Å; K1082-I1095 HydrophobicContact CB-CG2 4.4Å; K1082-I1095 HydrophobicContact CD-CG2 4.3Å; K1082-F1096 CarbonylContact C-O 3.57Å; K1082-F1096 VanDerWaalsContact CA-O 3.32Å; K1082-F1096 WeakPolarHBondContact CA-O 3.41Å |
| 1083 | L | 94.8 | Very high | 80.8 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 126.3 | 170.3 | -176.1 | 158.8 | 0 | 0 | 0 | 108.9 | L1003 S1004 I1005 L1018 I1063 L1065 L1085 F1096 F1098 | L1003-L1083 HydrophobicContact CD1-CD1 3.72Å; L1003-L1083 HydrophobicContact CD1-CD2 3.44Å; L1003-L1083 VanDerWaalsContact CD1-CD2 3.44Å; L1003-L1083 HydrophobicContact CD1-CG 3.45Å; L1003-L1083 VanDerWaalsContact CD1-CG 3.45Å; S1004-L1083 WeakPolarHBondContact O-CA 3.32Å; I1005-L1083 HydrophobicContact CD1-CD1 4.31Å; I1005-L1083 HydrophobicContact CG1-CD1 4.06Å; I1005-L1083 HydrophobicContact CG1-CG 4.12Å; L1018-L1083 HydrophobicContact CD1-CD1 4.1Å; I1063-L1083 HydrophobicContact CD1-CB 4.39Å; I1063-L1083 HydrophobicContact CD1-CD1 3.81Å; I1063-L1083 HydrophobicContact CD1-CD2 3.72Å; I1063-L1083 HydrophobicContact CD1-CG 4.18Å; L1065-L1083 HydrophobicContact CD1-CD1 3.9Å; L1065-L1083 HydrophobicContact CD2-CD1 3.92Å; L1065-L1083 HydrophobicContact CG-CD1 4.09Å; L1083-L1085 HydrophobicContact CD2-CD2 4.29Å; L1083-L1085 HydrophobicContact CD2-CG 3.83Å; L1083-F1096 HydrophobicContact CB-CB 4.48Å; L1083-F1096 HydrophobicContact CD2-CD2 4.08Å; L1083-F1096 PolarHBondContact N-O 2.92Å; L1083-F1096 PolarHBondContact O-N 2.81Å; L1083-F1098 HydrophobicContact CB-CD2 4.49Å; L1083-F1098 HydrophobicContact CB-CE2 4.15Å |
| 1084 | I | 93.7 | Very high | 82.3 | Confident | 18 Ų | 18 | 42.6 Ų | 42.6 | 9% | 0.092 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 120.6 | 178.3 | -51.6 | -174.6 | 0 | 0 | 0 | 109.6 | L1003 S1004 Y1006 K1082 Q1093 L1094 I1095 | L1003-I1084 CarbonylContact C-O 3.57Å; L1003-I1084 WeakPolarHBondContact CA-O 3.16Å; S1004-I1084 PolarHBondContact N-O 2.87Å; S1004-I1084 PolarHBondContact O-N 2.94Å; Y1006-I1084 HydrophobicContact CD2-CD1 4.49Å; Y1006-I1084 HydrophobicContact CE2-CD1 3.65Å; Y1006-I1084 HydrophobicContact CE2-CG1 4.01Å; K1082-I1084 HydrophobicContact CD-CD1 4.42Å; K1082-I1084 HydrophobicContact CG-CG1 4.44Å; I1084-Q1093 HydrophobicContact CG2-CB 4.05Å; I1084-Q1093 HydrophobicContact CG2-CG 4.05Å; I1084-L1094 WeakPolarHBondContact CA-O 3.31Å; I1084-I1095 HydrophobicContact CG1-CG1 4.3Å; I1084-I1095 HydrophobicContact CG2-CG1 4.37Å |
| 1085 | L | 93.1 | Very high | 83.9 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 101.8 | 167.8 | -73.4 | -179 | 0 | 0 | 0 | 109.3 | W1001 L1003 V1020 I1052 I1060 I1063 L1083 Q1093 L1094 F1096 | W1001-L1085 HydrophobicContact CE3-CB 3.84Å; W1001-L1085 HydrophobicContact CZ3-CB 4.2Å; L1003-L1085 HydrophobicContact CB-CD2 4.06Å; L1003-L1085 HydrophobicContact CD1-CD2 3.72Å; L1003-L1085 HydrophobicContact CG-CD2 4.49Å; V1020-L1085 HydrophobicContact CG1-CD1 4.18Å; V1020-L1085 HydrophobicContact CG2-CD1 4.21Å; I1052-L1085 HydrophobicContact CD1-CD2 3.6Å; I1052-L1085 HydrophobicContact CG1-CD2 4.47Å; I1060-L1085 HydrophobicContact CD1-CD1 4.4Å; I1063-L1085 HydrophobicContact CG2-CD1 4.14Å; L1083-L1085 HydrophobicContact CD2-CD2 4.29Å; L1083-L1085 HydrophobicContact CD2-CG 3.83Å; L1085-Q1093 CarbonylContact O-C 3.56Å; L1085-Q1093 WeakPolarHBondContact O-CA 3.33Å; L1085-L1094 HydrophobicContact CB-CB 4.3Å; L1085-L1094 PolarHBondContact N-O 3.34Å; L1085-L1094 PolarHBondContact O-N 2.91Å; L1085-F1096 HydrophobicContact CD1-CE2 4.05Å; L1085-F1096 HydrophobicContact CG-CE2 4.39Å |
| 1086 | E | 90.1 | Very high | 85.4 | Confident | 47 Ų | 47 | 35.4 Ų | 35.4 | 22% | 0.22 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 115.6 | 172.3 | -172.9 | 178.8 | 132.4 | 0 | 0 | 110.7 | W1001 K1002 I1088 T1091 Q1093 | W1001-E1086 CarbonylContact C-O 3.54Å; W1001-E1086 WeakPolarHBondContact CA-O 3.29Å; K1002-E1086 HydrophobicContact CB-CB 4.39Å; K1002-E1086 PolarHBondContact N-O 2.84Å; K1002-E1086 PolarHBondContact O-N 2.88Å; E1086-I1088 PolarHBondContact O-N 3.4Å; E1086-T1091 WeakPolarHBondContact OE1-CG2 3.49Å; E1086-Q1093 HydrophobicContact CB-CG 3.84Å; E1086-Q1093 HydrophobicContact CG-CG 3.76Å; E1086-Q1093 PolarHBondContact OE2-NE2 3.24Å |
| 1087 | N | 84.8 | Confident | 86.7 | Confident | 1 Ų | 1 | 38.5 Ų | 38.5 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 118.7 | 171.3 | -172.2 | -65.9 | 0 | 0 | 0 | 109.8 | E998 W1001 K1089 T1090 T1091 K1092 | E998-N1087 PolarHBondContact O-ND2 3.04Å; W1001-N1087 HydrophobicContact CD2-CB 3.78Å; W1001-N1087 HydrophobicContact CE3-CB 3.59Å; W1001-N1087 VanDerWaalsContact CE3-N 3.27Å; W1001-N1087 HydrophobicContact CH2-CB 3.82Å; W1001-N1087 HydrophobicContact CZ2-CB 3.98Å; W1001-N1087 VanDerWaalsContact CZ2-ND2 3.32Å; W1001-N1087 WeakPolarHBondContact CZ2-ND2 3.24Å; W1001-N1087 HydrophobicContact CZ3-CB 3.62Å; W1001-N1087 PolarHBondContact NE1-ND2 3.09Å; N1087-K1089 PolarHBondContact O-N 3.01Å; N1087-K1089 VanDerWaalsContact O-N 3.15Å; N1087-K1089 PolarHBondContact OD1-N 2.97Å; N1087-T1090 HydrophobicContact CB-CG2 4.16Å; N1087-T1090 WeakPolarHBondContact CB-OG1 3.48Å; N1087-T1090 PolarHBondContact O-N 3.4Å; N1087-T1090 WeakPolarHBondContact OD1-CG2 3.27Å; N1087-T1090 PolarHBondContact OD1-N 2.97Å; N1087-T1091 WeakPolarHBondContact O-CA 3.47Å; N1087-T1091 PolarHBondContact O-N 2.71Å; N1087-K1092 PolarHBondContact N-O 3.26Å |
| 1088 | I | 78.3 | Confident | 87.3 | Confident | 48 Ų | 48 | 35 Ų | 35 | 25% | 0.246 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -28.4 | -170.2 | -56.8 | 170.1 | 0 | 0 | 0 | 111.3 | K648 S1000 K1002 M1051 E1086 | K648-I1088 PolarHBondContact NZ-O 3.49Å; S1000-I1088 PolarHBondContact O-N 2.92Å; K1002-I1088 HydrophobicContact CB-CD1 4.34Å; K1002-I1088 HydrophobicContact CB-CG1 4.09Å; M1051-I1088 HydrophobicContact CE-CD1 3.4Å; M1051-I1088 VanDerWaalsContact CE-CD1 3.4Å; M1051-I1088 HydrophobicContact SD-CD1 3.55Å; M1051-I1088 VanDerWaalsContact SD-CD1 3.55Å; E1086-I1088 PolarHBondContact O-N 3.4Å |
| 1089 | K | 67.4 | Low | 87.1 | Confident | 33 Ų | 33 | 39.5 Ų | 39.5 | 14% | 0.143 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -37.5 | 179.1 | -55.1 | -143.5 | -166.9 | 68.3 | 0 | 112.7 | Q530 K648 K997 S1000 N1087 | Q530-K1089 VanDerWaalsContact OE1-CE 3.3Å; K648-K1089 WeakPolarHBondContact CD-O 3.46Å; K648-K1089 WeakPolarHBondContact CE-O 3.31Å; K648-K1089 PolarHBondContact NZ-O 3.33Å; K648-K1089 VanDerWaalsContact NZ-O 3.16Å; K997-K1089 WeakPolarHBondContact O-CD 3.35Å; K997-K1089 WeakPolarHBondContact O-CE 3.32Å; K997-K1089 PolarHBondContact O-NZ 2.88Å; S1000-K1089 PolarHBondContact OG-NZ 2.78Å; N1087-K1089 PolarHBondContact O-N 3.01Å; N1087-K1089 VanDerWaalsContact O-N 3.15Å; N1087-K1089 PolarHBondContact OD1-N 2.97Å |
| 1090 | T | 75.6 | Confident | 86.7 | Confident | 14 Ų | 14 | 40.1 Ų | 40.1 | 9% | 0.086 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -23.2 | -178.6 | 83.1 | 0 | 0 | 0 | 0 | 114 | N642 K645 N1087 K1092 | N642-T1090 WeakPolarHBondContact CB-O 3.19Å; K645-T1090 HydrophobicContact CD-CG2 3.5Å; K645-T1090 VanDerWaalsContact CE-CG2 3.45Å; K645-T1090 HydrophobicContact CG-CG2 3.75Å; N1087-T1090 HydrophobicContact CB-CG2 4.16Å; N1087-T1090 WeakPolarHBondContact CB-OG1 3.48Å; N1087-T1090 PolarHBondContact O-N 3.4Å; N1087-T1090 WeakPolarHBondContact OD1-CG2 3.27Å; N1087-T1090 PolarHBondContact OD1-N 2.97Å; T1090-K1092 PolarHBondContact O-N 3.14Å; T1090-K1092 VanDerWaalsContact O-N 3.17Å; T1090-K1092 WeakPolarHBondContact OG1-CB 3.24Å; T1090-K1092 PolarHBondContact OG1-N 2.78Å |
| 1091 | T | 75.9 | Confident | 86.5 | Confident | 41 Ų | 41 | 41.5 Ų | 41.5 | 25% | 0.252 | 22% | 0.221 | S | C | . | . | trans | 52.5 | 26.2 | -167.6 | 21.1 | 0 | 0 | 0 | 0 | 113 | N642 K648 E1086 N1087 | N642-T1091 WeakPolarHBondContact ND2-CB 3.41Å; N642-T1091 PolarHBondContact ND2-O 2.78Å; N642-T1091 PolarHBondContact OD1-OG1 2.95Å; N642-T1091 VanDerWaalsContact OD1-OG1 3.11Å; K648-T1091 PolarHBondContact NZ-OG1 2.91Å; K648-T1091 VanDerWaalsContact NZ-OG1 3.08Å; E1086-T1091 WeakPolarHBondContact OE1-CG2 3.49Å; N1087-T1091 WeakPolarHBondContact O-CA 3.47Å; N1087-T1091 PolarHBondContact O-N 2.71Å | ||
| 1092 | K | 80.1 | Confident | 86.2 | Confident | 112 Ų | 112 | 41 Ų | 41 | 49% | 0.487 | 22% | 0.22 | S | C | . | . | trans | -78.1 | 120.1 | 159.3 | -172.5 | -167.5 | -175.6 | -163.9 | 0 | 107.3 | N1087 T1090 L1094 | N1087-K1092 PolarHBondContact N-O 3.26Å; T1090-K1092 PolarHBondContact O-N 3.14Å; T1090-K1092 VanDerWaalsContact O-N 3.17Å; T1090-K1092 WeakPolarHBondContact OG1-CB 3.24Å; T1090-K1092 PolarHBondContact OG1-N 2.78Å; K1092-L1094 HydrophobicContact CD-CD2 3.81Å; K1092-L1094 HydrophobicContact CG-CD2 4.2Å | ||
| 1093 | Q | 86.5 | Confident | 86 | Confident | 102 Ų | 102 | 38.3 Ų | 38.3 | 48% | 0.477 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 135.9 | 166 | -70.4 | 172.6 | -12.9 | 0 | 0 | 108.9 | I1084 L1085 E1086 | I1084-Q1093 HydrophobicContact CG2-CB 4.05Å; I1084-Q1093 HydrophobicContact CG2-CG 4.05Å; L1085-Q1093 CarbonylContact O-C 3.56Å; L1085-Q1093 WeakPolarHBondContact O-CA 3.33Å; E1086-Q1093 HydrophobicContact CB-CG 3.84Å; E1086-Q1093 HydrophobicContact CG-CG 3.76Å; E1086-Q1093 PolarHBondContact OE2-NE2 3.24Å |
| 1094 | L | 90.3 | Very high | 85.1 | Confident | 7 Ų | 7 | 38.4 Ų | 38.4 | 4% | 0.037 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 131.1 | 162 | -49.5 | -178.2 | 0 | 0 | 0 | 106.6 | W1001 I1060 I1084 L1085 K1092 F1096 M1118 | W1001-L1094 HydrophobicContact CH2-CD1 3.92Å; W1001-L1094 HydrophobicContact CH2-CG 4.29Å; W1001-L1094 HydrophobicContact CZ3-CD1 3.9Å; W1001-L1094 HydrophobicContact CZ3-CG 3.96Å; I1060-L1094 HydrophobicContact CB-CD1 3.74Å; I1060-L1094 HydrophobicContact CD1-CD1 3.93Å; I1060-L1094 HydrophobicContact CG1-CD1 4.41Å; I1060-L1094 HydrophobicContact CG2-CD1 3.89Å; I1084-L1094 WeakPolarHBondContact CA-O 3.31Å; L1085-L1094 HydrophobicContact CB-CB 4.3Å; L1085-L1094 PolarHBondContact N-O 3.34Å; L1085-L1094 PolarHBondContact O-N 2.91Å; K1092-L1094 HydrophobicContact CD-CD2 3.81Å; K1092-L1094 HydrophobicContact CG-CD2 4.2Å; L1094-F1096 HydrophobicContact CB-CD2 4.37Å; L1094-F1096 HydrophobicContact CB-CE2 3.56Å; L1094-F1096 HydrophobicContact CB-CZ 4.06Å; L1094-F1096 HydrophobicContact CD1-CE2 4.35Å; L1094-F1096 HydrophobicContact CD1-CZ 4.29Å; L1094-M1118 HydrophobicContact CD2-SD 3.72Å |
| 1095 | I | 91.5 | Very high | 83.8 | Confident | 94 Ų | 94 | 40.4 Ų | 40.4 | 48% | 0.482 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 121 | -177.6 | -56.9 | 174.5 | 0 | 0 | 0 | 107.2 | K1082 I1084 | K1082-I1095 HydrophobicContact CB-CG2 4.4Å; K1082-I1095 HydrophobicContact CD-CG2 4.3Å; I1084-I1095 HydrophobicContact CG1-CG1 4.3Å; I1084-I1095 HydrophobicContact CG2-CG1 4.37Å |
| 1096 | F | 92.9 | Very high | 82.2 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 116.2 | 176.9 | -59.4 | -91.1 | 0 | 0 | 0 | 107.2 | I1060 I1063 K1082 L1083 L1085 L1094 F1098 Q1116 M1118 | I1060-F1096 HydrophobicContact CG2-CZ 4.09Å; I1063-F1096 HydrophobicContact CD1-CB 3.59Å; I1063-F1096 HydrophobicContact CD1-CD1 3.93Å; I1063-F1096 HydrophobicContact CD1-CD2 3.7Å; I1063-F1096 HydrophobicContact CD1-CE2 4.33Å; I1063-F1096 HydrophobicContact CD1-CG 3.46Å; I1063-F1096 VanDerWaalsContact CD1-CG 3.46Å; I1063-F1096 HydrophobicContact CG1-CB 4.22Å; I1063-F1096 HydrophobicContact CG1-CD1 3.73Å; I1063-F1096 HydrophobicContact CG1-CD2 4.3Å; I1063-F1096 HydrophobicContact CG1-CE1 4.11Å; I1063-F1096 HydrophobicContact CG1-CG 3.84Å; I1063-F1096 HydrophobicContact CG2-CD2 4.41Å; I1063-F1096 HydrophobicContact CG2-CE1 4.09Å; I1063-F1096 HydrophobicContact CG2-CE2 3.99Å; I1063-F1096 HydrophobicContact CG2-CZ 3.82Å; K1082-F1096 CarbonylContact C-O 3.57Å; K1082-F1096 VanDerWaalsContact CA-O 3.32Å; K1082-F1096 WeakPolarHBondContact CA-O 3.41Å; L1083-F1096 HydrophobicContact CB-CB 4.48Å; L1083-F1096 HydrophobicContact CD2-CD2 4.08Å; L1083-F1096 PolarHBondContact N-O 2.92Å; L1083-F1096 PolarHBondContact O-N 2.81Å; L1085-F1096 HydrophobicContact CD1-CE2 4.05Å; L1085-F1096 HydrophobicContact CG-CE2 4.39Å; L1094-F1096 HydrophobicContact CB-CD2 4.37Å; L1094-F1096 HydrophobicContact CB-CE2 3.56Å; L1094-F1096 HydrophobicContact CB-CZ 4.06Å; L1094-F1096 HydrophobicContact CD1-CE2 4.35Å; L1094-F1096 HydrophobicContact CD1-CZ 4.29Å; F1096-F1098 HydrophobicContact CB-CE2 4.01Å; F1096-Q1116 HydrophobicContact CB-CB 4.14Å; F1096-Q1116 HydrophobicContact CB-CG 3.86Å; F1096-Q1116 HydrophobicContact CD1-CB 4.24Å; F1096-Q1116 HydrophobicContact CD1-CG 4.12Å; F1096-Q1116 WeakPolarHBondContact CD1-O 3.46Å; F1096-M1118 HydrophobicContact CE1-CB 4.1Å; F1096-M1118 HydrophobicContact CZ-CB 4.38Å |
| 1097 | N | 90.4 | Very high | 80.4 | Confident | 69 Ų | 69 | 48 Ų | 48 | 37% | 0.369 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 133.1 | -174.9 | 179.2 | -46.6 | 0 | 0 | 0 | 109.6 | I1099 Q1116 | N1097-I1099 WeakPolarHBondContact ND2-CD1 3.39Å; N1097-I1099 WeakPolarHBondContact OD1-CB 3.1Å; N1097-I1099 WeakPolarHBondContact OD1-CG1 3.2Å; N1097-I1099 PolarHBondContact OD1-N 3.47Å; N1097-Q1116 PolarHBondContact O-NE2 3.04Å |
| 1098 | F | 90.4 | Very high | 78.7 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 0% | 0.004 | 28% | 0.282 | C | S | . | . | trans | -123.9 | 9.2 | 178.2 | -70.9 | -95.1 | 0 | 0 | 0 | 112.5 | I1063 L1065 V1080 D1081 L1083 F1096 G1100 R1101 F1103 R1114 Q1116 | I1063-F1098 HydrophobicContact CD1-CE2 3.97Å; I1063-F1098 HydrophobicContact CD1-CZ 4.07Å; I1063-F1098 HydrophobicContact CG1-CZ 4.35Å; L1065-F1098 HydrophobicContact CD1-CE1 4.33Å; L1065-F1098 HydrophobicContact CD1-CE2 4.04Å; L1065-F1098 HydrophobicContact CD1-CZ 3.9Å; L1065-F1098 HydrophobicContact CG-CZ 4.33Å; V1080-F1098 HydrophobicContact CB-CB 4Å; V1080-F1098 HydrophobicContact CG1-CB 4.15Å; V1080-F1098 HydrophobicContact CG1-CD2 4.21Å; V1080-F1098 HydrophobicContact CG1-CG 4.45Å; V1080-F1098 CarbonylContact O-C 3.55Å; V1080-F1098 WeakPolarHBondContact O-CA 3.46Å; V1080-F1098 WeakPolarHBondContact O-CB 3.33Å; D1081-F1098 PolarHBondContact O-N 2.87Å; L1083-F1098 HydrophobicContact CB-CD2 4.49Å; L1083-F1098 HydrophobicContact CB-CE2 4.15Å; F1096-F1098 HydrophobicContact CB-CE2 4.01Å; F1098-G1100 PolarHBondContact O-N 3.01Å; F1098-R1101 WeakPolarHBondContact O-CB 3.32Å; F1098-R1101 PolarHBondContact O-N 3.4Å; F1098-F1103 HydrophobicContact CD1-CE2 4.27Å; F1098-F1103 HydrophobicContact CD1-CZ 4.02Å; F1098-F1103 HydrophobicContact CE1-CZ 4.05Å; F1098-R1114 HydrophobicContact CE1-CB 4.18Å; F1098-Q1116 HydrophobicContact CE1-CB 3.95Å; F1098-Q1116 HydrophobicContact CE2-CB 3.95Å; F1098-Q1116 HydrophobicContact CZ-CB 3.56Å | ||
| 1099 | I | 86.5 | Confident | 77.7 | Confident | 94 Ų | 94 | 55.3 Ų | 55.3 | 48% | 0.482 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | 128.4 | 176.5 | -57.4 | 178.1 | 0 | 0 | 0 | 109.8 | V1080 D1081 N1097 R1101 | V1080-I1099 PolarHBondContact O-N 3.5Å; D1081-I1099 HydrophobicContact CB-CG1 4.05Å; D1081-I1099 WeakPolarHBondContact O-CG1 3.43Å; D1081-I1099 PolarHBondContact O-N 2.9Å; N1097-I1099 WeakPolarHBondContact ND2-CD1 3.39Å; N1097-I1099 WeakPolarHBondContact OD1-CB 3.1Å; N1097-I1099 WeakPolarHBondContact OD1-CG1 3.2Å; N1097-I1099 PolarHBondContact OD1-N 3.47Å; I1099-R1101 PolarHBondContact O-N 3.42Å |
| 1100 | G | 81.4 | Confident | 77.7 | Confident | 71 Ų | 71 | 55.9 Ų | 55.9 | 73% | 0.732 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.8 | 12.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | F1098 P1102 | F1098-G1100 PolarHBondContact O-N 3.01Å; G1100-P1102 VanDerWaalsContact C-CD 3.48Å; G1100-P1102 WeakPolarHBondContact O-CD 3.16Å |
| 1101 | R | 87.2 | Confident | 77.7 | Confident | 30 Ų | 30 | 56.2 Ų | 56.2 | 11% | 0.113 | 30% | 0.297 | C | S | . | . | trans | -121.4 | 71.6 | 176.7 | -65.7 | 174 | 64.8 | -128.1 | 1.2 | 109.9 | F1098 I1099 R1114 E1115 E1216 | F1098-R1101 WeakPolarHBondContact O-CB 3.32Å; F1098-R1101 PolarHBondContact O-N 3.4Å; I1099-R1101 PolarHBondContact O-N 3.42Å; R1101-R1114 WeakPolarHBondContact O-CD 3.24Å; R1101-R1114 PolarHBondContact O-NE 2.77Å; R1101-E1115 VanDerWaalsContact CZ-O 3.32Å; R1101-E1115 PolarHBondContact NH1-O 2.95Å; R1101-E1115 PolarHBondContact NH2-O 2.75Å; R1101-E1216 IonicContact CZ-OE1 2.72Å; R1101-E1216 IonicContact CZ-OE2 2.7Å; R1101-E1216 VanDerWaalsContact CZ-OE2 3.32Å; R1101-E1216 IonicContact NE-OE1 2.93Å; R1101-E1216 PolarHBondContact NE-OE1 2.76Å; R1101-E1216 IonicContact NE-OE2 2.66Å; R1101-E1216 PolarHBondContact NE-OE2 2.98Å; R1101-E1216 IonicContact NH2-OE1 3.96Å; R1101-E1216 PolarHBondContact NH2-OE1 3.4Å; R1101-E1216 IonicContact NH2-OE2 3.54Å; R1101-E1216 PolarHBondContact NH2-OE2 3.01Å; R1101-E1216 VanDerWaalsContact NH2-OE2 3.12Å | ||
| 1102 | P | 85.9 | Confident | 78 | Confident | 22 Ų | 22 | 55.8 Ų | 55.8 | 14% | 0.143 | 29% | 0.293 | C | S | . | . | trans | -69 | 152.3 | -173.8 | 31.8 | -39.2 | 0 | 0 | 0 | 112.4 | E1079 G1100 Y1106 R1114 | E1079-P1102 HydrophobicContact CG-CB 3.8Å; G1100-P1102 VanDerWaalsContact C-CD 3.48Å; G1100-P1102 WeakPolarHBondContact O-CD 3.16Å; P1102-Y1106 HydrophobicContact CB-CE1 4.38Å; P1102-Y1106 HydrophobicContact CB-CE2 3.68Å; P1102-Y1106 WeakPolarHBondContact CB-OH 3.29Å; P1102-Y1106 HydrophobicContact CG-CD2 4.07Å; P1102-Y1106 HydrophobicContact CG-CE1 4.14Å; P1102-Y1106 HydrophobicContact CG-CE2 3.64Å; P1102-R1114 VanDerWaalsContact O-CZ 3.23Å; P1102-R1114 PolarHBondContact O-NE 2.56Å; P1102-R1114 PolarHBondContact O-NH2 2.85Å | ||
| 1103 | F | 88.3 | Confident | 78.4 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -96.7 | 142.1 | 169.2 | -58.1 | -100.1 | 0 | 0 | 0 | 109.3 | L1065 V1067 E1077 W1078 V1080 F1098 Y1106 C1111 R1114 | L1065-F1103 HydrophobicContact CB-CE1 3.83Å; L1065-F1103 HydrophobicContact CB-CZ 3.69Å; L1065-F1103 HydrophobicContact CD1-CE2 4.45Å; L1065-F1103 HydrophobicContact CD1-CZ 3.97Å; L1065-F1103 HydrophobicContact CG-CZ 4.49Å; V1067-F1103 HydrophobicContact CG2-CB 3.89Å; V1067-F1103 HydrophobicContact CG2-CD1 3.75Å; V1067-F1103 HydrophobicContact CG2-CG 3.95Å; E1077-F1103 WeakPolarHBondContact CA-O 3.43Å; W1078-F1103 HydrophobicContact CB-CB 4.28Å; W1078-F1103 HydrophobicContact CD2-CD2 4.31Å; W1078-F1103 HydrophobicContact CE3-CB 4.3Å; W1078-F1103 HydrophobicContact CE3-CD1 4.48Å; W1078-F1103 AromaticContact CE3-CD2 3.58Å; W1078-F1103 HydrophobicContact CE3-CD2 3.58Å; W1078-F1103 AromaticContact CE3-CE2 3.96Å; W1078-F1103 HydrophobicContact CE3-CE2 3.96Å; W1078-F1103 AromaticContact CE3-CG 3.89Å; W1078-F1103 HydrophobicContact CE3-CG 3.89Å; W1078-F1103 HydrophobicContact CZ3-CD2 4.12Å; W1078-F1103 HydrophobicContact CZ3-CE2 4.02Å; W1078-F1103 HydrophobicContact CZ3-CZ 4.3Å; W1078-F1103 PolarHBondContact N-O 3.19Å; W1078-F1103 WeakPolarHBondContact O-CB 3.3Å; W1078-F1103 PolarHBondContact O-N 2.65Å; V1080-F1103 HydrophobicContact CB-CE2 4.41Å; V1080-F1103 HydrophobicContact CG2-CD2 4.5Å; V1080-F1103 HydrophobicContact CG2-CE2 4.03Å; F1098-F1103 HydrophobicContact CD1-CE2 4.27Å; F1098-F1103 HydrophobicContact CD1-CZ 4.02Å; F1098-F1103 HydrophobicContact CE1-CZ 4.05Å; F1103-Y1106 PolarHBondContact O-OH 2.83Å; F1103-C1111 WeakPolarHBondContact CA-O 3.09Å; F1103-R1114 HydrophobicContact CD1-CB 4.42Å; F1103-R1114 HydrophobicContact CD1-CG 4.17Å; F1103-R1114 HydrophobicContact CE1-CB 3.62Å; F1103-R1114 HydrophobicContact CE1-CG 3.85Å; F1103-R1114 HydrophobicContact CZ-CB 3.89Å; F1103-R1114 HydrophobicContact CZ-CG 4.3Å |
| 1104 | G | 77 | Confident | 78.5 | Confident | 2 Ų | 2 | 47.5 Ų | 47.5 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | S | Bend | trans | 133.8 | -156.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | C1111 | G1104-C1111 PolarHBondContact O-N 2.83Š|
| 1105 | L | 66 | Low | 78.5 | Confident | 61 Ų | 61 | 47.2 Ų | 47.2 | 32% | 0.319 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 110.7 | -173.5 | -160.7 | 179.5 | 0 | 0 | 0 | 108.9 | Y1110 | L1105-Y1110 HydrophobicContact CD1-CD2 4.37Å; L1105-Y1110 HydrophobicContact CD1-CE1 4.18Å; L1105-Y1110 HydrophobicContact CD1-CE2 3.53Å; L1105-Y1110 VanDerWaalsContact CD1-CZ 3.45Å; L1105-Y1110 WeakPolarHBondContact CD1-OH 3.42Å; L1105-Y1110 HydrophobicContact CD2-CE2 4.31Å; L1105-Y1110 HydrophobicContact CG-CD1 4.49Å; L1105-Y1110 HydrophobicContact CG-CD2 3.86Å; L1105-Y1110 HydrophobicContact CG-CE1 4.24Å; L1105-Y1110 HydrophobicContact CG-CE2 3.52Å; L1105-Y1110 HydrophobicContact CG-CG 4.35Å |
| 1106 | Y | 59.2 | Low | 78.5 | Confident | 57 Ų | 57 | 43.5 Ų | 43.5 | 22% | 0.224 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 111.5 | -172.9 | -65 | -81.3 | 0 | 0 | 0 | 111.3 | E1077 P1102 F1103 N1108 F1109 | E1077-Y1106 WeakPolarHBondContact CB-OH 3.5Å; E1077-Y1106 WeakPolarHBondContact CG-OH 3.35Å; E1077-Y1106 WeakPolarHBondContact OE1-CE1 3.31Å; E1077-Y1106 PolarHBondContact OE1-OH 2.71Å; E1077-Y1106 VanDerWaalsContact OE1-OH 3.05Å; P1102-Y1106 HydrophobicContact CB-CE1 4.38Å; P1102-Y1106 HydrophobicContact CB-CE2 3.68Å; P1102-Y1106 WeakPolarHBondContact CB-OH 3.29Å; P1102-Y1106 HydrophobicContact CG-CD2 4.07Å; P1102-Y1106 HydrophobicContact CG-CE1 4.14Å; P1102-Y1106 HydrophobicContact CG-CE2 3.64Å; F1103-Y1106 PolarHBondContact O-OH 2.83Å; Y1106-N1108 PolarHBondContact O-N 3.14Å; Y1106-F1109 PolarHBondContact N-O 2.89Å; Y1106-F1109 WeakPolarHBondContact O-CA 3.45Å; Y1106-F1109 WeakPolarHBondContact O-CB 3.17Å; Y1106-F1109 PolarHBondContact O-N 2.9Å |
| 1107 | N | 52.5 | Low | 78.4 | Confident | 150 Ų | 150 | 44.6 Ų | 44.6 | 80% | 0.802 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 47.7 | 54 | 177.3 | -61.2 | -6.3 | 0 | 0 | 0 | 112.7 | F1109 | N1107-F1109 VanDerWaalsContact O-CD2 3.31Å; N1107-F1109 WeakPolarHBondContact O-CD2 3.28Å; N1107-F1109 PolarHBondContact O-N 2.95Å; N1107-F1109 VanDerWaalsContact O-N 3.17Å |
| 1108 | N | 49.9 | Very low | 77.9 | Confident | 94 Ų | 94 | 44.5 Ų | 44.5 | 50% | 0.503 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 68.3 | -10.7 | -172.9 | -53.7 | -20.7 | 0 | 0 | 0 | 116.5 | Y1106 Y1110 | Y1106-N1108 PolarHBondContact O-N 3.14Å; N1108-Y1110 PolarHBondContact O-N 2.82Å |
| 1109 | F | 57.8 | Low | 76.7 | Confident | 107 Ų | 107 | 52.5 Ų | 52.5 | 47% | 0.469 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 109.7 | 173.1 | -63 | -86.1 | 0 | 0 | 0 | 111.4 | Y1106 N1107 C1111 | Y1106-F1109 PolarHBondContact N-O 2.89Å; Y1106-F1109 WeakPolarHBondContact O-CA 3.45Å; Y1106-F1109 WeakPolarHBondContact O-CB 3.17Å; Y1106-F1109 PolarHBondContact O-N 2.9Å; N1107-F1109 VanDerWaalsContact O-CD2 3.31Å; N1107-F1109 WeakPolarHBondContact O-CD2 3.28Å; N1107-F1109 PolarHBondContact O-N 2.95Å; N1107-F1109 VanDerWaalsContact O-N 3.17Å; F1109-C1111 PolarHBondContact O-N 2.93Å |
| 1110 | Y | 66.2 | Low | 75 | Confident | 45 Ų | 45 | 54.3 Ų | 54.3 | 18% | 0.176 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 113.2 | 167.1 | -93.7 | -99.3 | 0 | 0 | 0 | 110.5 | L1105 N1108 L1112 L1190 H1193 | L1105-Y1110 HydrophobicContact CD1-CD2 4.37Å; L1105-Y1110 HydrophobicContact CD1-CE1 4.18Å; L1105-Y1110 HydrophobicContact CD1-CE2 3.53Å; L1105-Y1110 VanDerWaalsContact CD1-CZ 3.45Å; L1105-Y1110 WeakPolarHBondContact CD1-OH 3.42Å; L1105-Y1110 HydrophobicContact CD2-CE2 4.31Å; L1105-Y1110 HydrophobicContact CG-CD1 4.49Å; L1105-Y1110 HydrophobicContact CG-CD2 3.86Å; L1105-Y1110 HydrophobicContact CG-CE1 4.24Å; L1105-Y1110 HydrophobicContact CG-CE2 3.52Å; L1105-Y1110 HydrophobicContact CG-CG 4.35Å; N1108-Y1110 PolarHBondContact O-N 2.82Å; Y1110-L1112 HydrophobicContact CD1-CD1 3.89Å; Y1110-L1112 HydrophobicContact CD1-CG 4.14Å; Y1110-L1112 HydrophobicContact CE1-CD1 4.26Å; Y1110-L1190 HydrophobicContact CD1-CD2 3.59Å; Y1110-L1190 HydrophobicContact CD2-CD2 4.06Å; Y1110-L1190 HydrophobicContact CE1-CD2 3.91Å; Y1110-L1190 HydrophobicContact CE2-CD2 4.37Å; Y1110-L1190 HydrophobicContact CG-CD2 3.64Å; Y1110-L1190 HydrophobicContact CG-CG 4.35Å; Y1110-H1193 HydrophobicContact CD2-CB 4.28Å; Y1110-H1193 HydrophobicContact CE2-CB 3.47Å; Y1110-H1193 VanDerWaalsContact CE2-CB 3.47Å |
| 1111 | C | 77 | Confident | 72.9 | Confident | 22 Ų | 22 | 60.9 Ų | 60.9 | 15% | 0.149 | 29% | 0.286 | C | S | . | . | trans | -120.5 | 47.2 | 179.2 | -135.4 | 0 | 0 | 0 | 0 | 112.7 | F1103 G1104 F1109 S1113 R1114 | F1103-C1111 WeakPolarHBondContact CA-O 3.09Å; G1104-C1111 PolarHBondContact O-N 2.83Å; F1109-C1111 PolarHBondContact O-N 2.93Å; C1111-S1113 PolarHBondContact O-N 2.72Å; C1111-R1114 PolarHBondContact SG-NH1 2.96Å | ||
| 1112 | L | 80.8 | Confident | 70.1 | Confident | 32 Ų | 32 | 67.1 Ų | 67.1 | 17% | 0.168 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -67.8 | -13.9 | 174.7 | -64.4 | 176.2 | 0 | 0 | 0 | 113.6 | E1066 V1067 Q1069 Y1110 | E1066-L1112 CarbonylContact C-O 3.58Å; E1066-L1112 WeakPolarHBondContact CA-O 3.44Å; V1067-L1112 HydrophobicContact CB-CB 4.41Å; V1067-L1112 HydrophobicContact CB-CD2 4.23Å; V1067-L1112 WeakPolarHBondContact CB-O 3.33Å; V1067-L1112 HydrophobicContact CG1-CD2 4.26Å; V1067-L1112 PolarHBondContact N-O 2.97Å; Q1069-L1112 HydrophobicContact CG-CD1 4.48Å; Q1069-L1112 HydrophobicContact CG-CD2 4.47Å; Y1110-L1112 HydrophobicContact CD1-CD1 3.89Å; Y1110-L1112 HydrophobicContact CD1-CG 4.14Å; Y1110-L1112 HydrophobicContact CE1-CD1 4.26Å |
| 1113 | S | 87.9 | Confident | 67.3 | Low | 10 Ų | 10 | 71.6 Ų | 71.6 | 7% | 0.07 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 129.1 | 176.5 | 175.6 | 0 | 0 | 0 | 0 | 109.9 | R1064 L1065 E1066 C1111 R1189 | R1064-S1113 WeakPolarHBondContact CD-OG 3.37Å; L1065-S1113 WeakPolarHBondContact O-CA 3.14Å; E1066-S1113 WeakPolarHBondContact CG-OG 3.49Å; E1066-S1113 PolarHBondContact OE1-OG 3.5Å; E1066-S1113 VanDerWaalsContact OE1-OG 3.04Å; C1111-S1113 PolarHBondContact O-N 2.72Å; S1113-R1189 PolarHBondContact O-NH1 2.95Å; S1113-R1189 PolarHBondContact OG-NE 2.8Å |
| 1114 | R | 89.5 | Confident | 64.4 | Low | 30 Ų | 30 | 80.7 Ų | 80.7 | 11% | 0.113 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 140.4 | 177.7 | -66.6 | -166 | -177.2 | -97.5 | 6.2 | 112.4 | R1064 L1065 F1098 R1101 P1102 F1103 C1111 E1216 | R1064-R1114 WeakPolarHBondContact CA-O 3.32Å; L1065-R1114 PolarHBondContact N-O 3.18Å; L1065-R1114 PolarHBondContact O-N 3.19Å; F1098-R1114 HydrophobicContact CE1-CB 4.18Å; R1101-R1114 WeakPolarHBondContact O-CD 3.24Å; R1101-R1114 PolarHBondContact O-NE 2.77Å; P1102-R1114 VanDerWaalsContact O-CZ 3.23Å; P1102-R1114 PolarHBondContact O-NE 2.56Å; P1102-R1114 PolarHBondContact O-NH2 2.85Å; F1103-R1114 HydrophobicContact CD1-CB 4.42Å; F1103-R1114 HydrophobicContact CD1-CG 4.17Å; F1103-R1114 HydrophobicContact CE1-CB 3.62Å; F1103-R1114 HydrophobicContact CE1-CG 3.85Å; F1103-R1114 HydrophobicContact CZ-CB 3.89Å; F1103-R1114 HydrophobicContact CZ-CG 4.3Å; C1111-R1114 PolarHBondContact SG-NH1 2.96Å; R1114-E1216 IonicContact CZ-OE1 3.8Å; R1114-E1216 IonicContact NH1-OE1 3.35Å; R1114-E1216 PolarHBondContact NH1-OE1 3.02Å; R1114-E1216 IonicContact NH1-OE2 3.77Å |
| 1115 | E | 90.7 | Very high | 62.1 | Low | 0 Ų | 0 | 84 Ų | 84 | 0% | 0 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 157.7 | 173.9 | -71.2 | -179.7 | -179.4 | 0 | 0 | 112.3 | K1062 I1063 R1064 R1101 L1149 R1189 S1217 A1218 | K1062-E1115 HydrophobicContact CD-CG 4.42Å; K1062-E1115 VanDerWaalsContact CD-OE2 3.29Å; K1062-E1115 WeakPolarHBondContact CD-OE2 3.45Å; K1062-E1115 VanDerWaalsContact CE-CD 3.44Å; K1062-E1115 WeakPolarHBondContact CE-OE1 3.42Å; K1062-E1115 VanDerWaalsContact CE-OE2 3.26Å; K1062-E1115 WeakPolarHBondContact CE-OE2 3.37Å; K1062-E1115 IonicContact NZ-OE1 3.05Å; K1062-E1115 PolarHBondContact NZ-OE1 2.68Å; K1062-E1115 IonicContact NZ-OE2 3.55Å; K1062-E1115 PolarHBondContact NZ-OE2 2.99Å; I1063-E1115 CarbonylContact O-C 3.6Å; I1063-E1115 VanDerWaalsContact O-CA 3.26Å; I1063-E1115 WeakPolarHBondContact O-CA 3.34Å; R1064-E1115 HydrophobicContact CB-CG 3.86Å; R1064-E1115 HydrophobicContact CG-CG 3.72Å; R1064-E1115 IonicContact CZ-OE1 3.98Å; R1064-E1115 VanDerWaalsContact CZ-OE1 3.23Å; R1064-E1115 IonicContact NE-OE1 3.73Å; R1064-E1115 PolarHBondContact NE-OE1 3.13Å; R1064-E1115 IonicContact NH2-OE1 3.05Å; R1064-E1115 PolarHBondContact NH2-OE1 3.2Å; R1101-E1115 VanDerWaalsContact CZ-O 3.32Å; R1101-E1115 PolarHBondContact NH1-O 2.95Å; R1101-E1115 PolarHBondContact NH2-O 2.75Å; E1115-L1149 HydrophobicContact CB-CD2 4.38Å; E1115-R1189 IonicContact OE1-NH2 2.73Å; E1115-S1217 PolarHBondContact OE2-OG 3.05Å; E1115-A1218 VanDerWaalsContact OE2-CB 3.31Å; E1115-A1218 WeakPolarHBondContact OE2-CB 3.09Å; E1115-A1218 PolarHBondContact OE2-N 2.99Å |
| 1116 | Q | 91.3 | Very high | 60.2 | Low | 16 Ų | 16 | 90 Ų | 90 | 8% | 0.075 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 141.8 | 164.4 | -172.5 | 54.1 | -80.5 | 0 | 0 | 111 | K1062 I1063 F1096 N1097 F1098 | K1062-Q1116 CarbonylContact C-O 3.49Å; K1062-Q1116 WeakPolarHBondContact CA-O 3.24Å; I1063-Q1116 HydrophobicContact CG1-CB 4.36Å; I1063-Q1116 PolarHBondContact N-O 3.07Å; I1063-Q1116 PolarHBondContact O-N 3.12Å; F1096-Q1116 HydrophobicContact CB-CB 4.14Å; F1096-Q1116 HydrophobicContact CB-CG 3.86Å; F1096-Q1116 HydrophobicContact CD1-CB 4.24Å; F1096-Q1116 HydrophobicContact CD1-CG 4.12Å; F1096-Q1116 WeakPolarHBondContact CD1-O 3.46Å; N1097-Q1116 PolarHBondContact O-NE2 3.04Å; F1098-Q1116 HydrophobicContact CE1-CB 3.95Å; F1098-Q1116 HydrophobicContact CE2-CB 3.95Å; F1098-Q1116 HydrophobicContact CZ-CB 3.56Å |
| 1117 | I | 89.6 | Confident | 58.8 | Low | 24 Ų | 24 | 96.7 Ų | 96.7 | 12% | 0.123 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 154.7 | -178.9 | 57.2 | 165.9 | 0 | 0 | 0 | 111.9 | Y1061 K1119 L1147 A1218 | Y1061-I1117 CarbonylContact O-C 3.6Å; Y1061-I1117 WeakPolarHBondContact O-CA 3.21Å; I1117-K1119 PolarHBondContact O-N 2.78Å; I1117-L1147 WeakPolarHBondContact CD1-O 3.41Å; I1117-L1147 HydrophobicContact CG2-CB 4.5Å; I1117-A1218 HydrophobicContact CG2-CB 3.64Å |
| 1118 | M | 81.5 | Confident | 57.6 | Low | 67 Ų | 67 | 98.8 Ų | 98.8 | 33% | 0.33 | 49% | 0.49 | S | S | . | . | trans | -75.3 | 103.5 | 173.5 | 176.5 | -174.2 | 64.1 | 0 | 0 | 109.8 | I1060 Y1061 L1094 F1096 K1120 | I1060-M1118 WeakPolarHBondContact O-CE 3.35Å; Y1061-M1118 PolarHBondContact O-N 2.83Å; L1094-M1118 HydrophobicContact CD2-SD 3.72Å; F1096-M1118 HydrophobicContact CE1-CB 4.1Å; F1096-M1118 HydrophobicContact CZ-CB 4.38Å; M1118-K1120 PolarHBondContact O-N 3.26Å | ||
| 1119 | K | 65.7 | Low | 56.5 | Low | 168 Ų | 168 | 97.7 Ų | 97.7 | 73% | 0.73 | 50% | 0.501 | S | S | * | . | trans | -56.8 | 127.3 | 170.6 | -67.1 | -166.5 | 177.1 | -169.1 | 0 | 110.4 | I1117 | I1117-K1119 PolarHBondContact O-N 2.78Š| ||
| 1120 | K | 50.1 | Low | 55.3 | Low | 132 Ų | 132 | 102.2 Ų | 102.2 | 57% | 0.574 | 52% | 0.523 | S | S | * | . | trans | -60.5 | 141.8 | 163 | -71.4 | -179.6 | 178.1 | 178.2 | 0 | 108.2 | M1118 Q1122 E1144 | M1118-K1120 PolarHBondContact O-N 3.26Å; K1120-Q1122 PolarHBondContact O-N 3.41Å; K1120-Q1122 VanDerWaalsContact O-N 3.15Å; K1120-E1144 IonicContact NZ-OE1 2.63Å; K1120-E1144 PolarHBondContact NZ-OE1 3.16Å; K1120-E1144 IonicContact NZ-OE2 2.65Å; K1120-E1144 PolarHBondContact NZ-OE2 2.98Å | ||
| 1121 | K | 36.6 | Very low | 53.4 | Low | 210 Ų | 210 | 109.7 Ų | 109.7 | 91% | 0.913 | 56% | 0.56 | S | S | * | * | trans | -74.9 | 101.2 | 166.5 | -76.6 | -161 | 171.9 | -156.3 | 0 | 108.4 | ||||
| 1122 | Q | 29.7 | Very low | 51.2 | Low | 160 Ų | 160 | 112.2 Ų | 112.2 | 75% | 0.748 | 59% | 0.589 | S | S | * | * | trans | -59.9 | 135.4 | 155.3 | -77 | 166.2 | -62.2 | 0 | 0 | 108 | K1120 E1124 | K1120-Q1122 PolarHBondContact O-N 3.41Å; K1120-Q1122 VanDerWaalsContact O-N 3.15Å; Q1122-E1124 PolarHBondContact O-N 3.32Å | ||
| 1123 | S | 26.7 | Very low | 48.9 | Very low | 116 Ų | 116 | 119.4 Ų | 119.4 | 81% | 0.811 | 62% | 0.622 | S | S | * | * | trans | -91.7 | 84.9 | 175.1 | 49.3 | 0 | 0 | 0 | 0 | 108.8 | G1125 | S1123-G1125 PolarHBondContact O-N 3.26Š| ||
| 1124 | E | 26.2 | Very low | 46 | Very low | 191 Ų | 191 | 128.2 Ų | 128.2 | 89% | 0.893 | 66% | 0.662 | S | S | * | * | trans | -59.4 | 129.3 | 163.6 | -68.7 | 169.8 | 168.3 | 0 | 0 | 108.5 | Q1122 | Q1122-E1124 PolarHBondContact O-N 3.32Š| ||
| 1125 | G | 28.4 | Very low | 43.2 | Very low | 71 Ų | 71 | 130.6 Ų | 130.6 | 73% | 0.732 | 70% | 0.696 | S | S | * | * | trans | 166.6 | 60.2 | -163.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | S1123 Q1127 | S1123-G1125 PolarHBondContact O-N 3.26Å; G1125-Q1127 PolarHBondContact O-N 2.6Å | ||
| 1126 | E | 26.2 | Very low | 40.1 | Very low | 188 Ų | 188 | 140 Ų | 140 | 88% | 0.879 | 74% | 0.74 | S | S | * | * | trans | -57.4 | 122.9 | 178.3 | -56 | 162.1 | 131.7 | 0 | 0 | 111.1 | ||||
| 1127 | Q | 30.1 | Very low | 37.2 | Very low | 197 Ų | 197 | 148.3 Ų | 148.3 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | trans | -166.7 | 143.3 | 142.6 | -110.6 | 155.3 | 41.7 | 0 | 0 | 111.5 | G1125 | G1125-Q1127 PolarHBondContact O-N 2.6Š| ||
| 1128 | E | 27.1 | Very low | 34.1 | Very low | 194 Ų | 194 | 156.9 Ų | 156.9 | 91% | 0.907 | 82% | 0.818 | S | S | * | * | trans | -88.5 | 154.1 | -167.4 | -58.3 | 160.2 | 114.6 | 0 | 0 | 112.8 | ||||
| 1129 | G | 27.3 | Very low | 31.6 | Very low | 71 Ų | 71 | 162.8 Ų | 162.8 | 73% | 0.732 | 85% | 0.845 | S | S | * | * | trans | 72.1 | 106.2 | 147.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1130 | Q | 32.2 | Very low | 29.7 | Very low | 202 Ų | 202 | 158.1 Ų | 158.1 | 94% | 0.944 | 85% | 0.845 | S | S | * | * | -170.2 | 148.9 | 103.1 | -100.1 | 169.3 | 6.8 | 0 | 0 | 111.8 | |||||
| 1131 | E | 26.3 | Very low | 28.5 | Very low | 202 Ų | 202 | 161.3 Ų | 161.3 | 94% | 0.944 | 86% | 0.862 | S | S | * | * | trans | -81.8 | 153.8 | -177.7 | -60.5 | 158.6 | 128.4 | 0 | 0 | 111.2 | ||||
| 1132 | G | 30.7 | Very low | 28.1 | Very low | 75 Ų | 75 | 162.3 Ų | 162.3 | 77% | 0.773 | 86% | 0.86 | S | S | * | * | trans | 176.6 | 53.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1133 | E | 33.1 | Very low | 28.3 | Very low | 183 Ų | 183 | 163.2 Ų | 163.2 | 86% | 0.855 | 86% | 0.864 | S | S | * | * | trans | 39.2 | 127.7 | 148.5 | -69.8 | 178.1 | 159.1 | 0 | 0 | 123.3 | ||||
| 1134 | E | 27.9 | Very low | 29 | Very low | 196 Ų | 196 | 164.4 Ų | 164.4 | 92% | 0.916 | 86% | 0.857 | S | S | * | * | trans | 71.1 | 135.9 | 144 | -63.4 | -167.3 | 162.5 | 0 | 0 | 122.6 | ||||
| 1135 | G | 30 | Very low | 30.3 | Very low | 80 Ų | 80 | 160.7 Ų | 160.7 | 83% | 0.825 | 84% | 0.838 | S | S | * | * | trans | 148.8 | 52.1 | 174 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1136 | Q | 26.3 | Very low | 31.8 | Very low | 197 Ų | 197 | 162.7 Ų | 162.7 | 92% | 0.921 | 83% | 0.832 | S | S | * | * | trans | -81.6 | 119.2 | 179.8 | -72.1 | -174.8 | -11.6 | 0 | 0 | 113.2 | ||||
| 1137 | E | 29.5 | Very low | 34.1 | Very low | 191 Ų | 191 | 155.4 Ų | 155.4 | 89% | 0.893 | 80% | 0.799 | S | S | * | * | trans | -125.9 | 147.1 | 150.1 | -72.8 | -166.6 | 149 | 0 | 0 | 108.9 | E1139 | E1137-E1139 PolarHBondContact O-N 3.39Š| ||
| 1138 | Q | 25 | Very low | 36.6 | Very low | 203 Ų | 203 | 147.6 Ų | 147.6 | 95% | 0.949 | 77% | 0.766 | S | S | * | * | trans | -86.7 | 103.1 | -163.9 | -66.2 | 173.4 | -10.2 | 0 | 0 | 112.8 | ||||
| 1139 | E | 27.9 | Very low | 39.3 | Very low | 191 Ų | 191 | 140.7 Ų | 140.7 | 89% | 0.893 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 122.2 | 158.7 | -69.9 | -157.8 | 130.9 | 0 | 0 | 109.9 | E1137 E1141 | E1137-E1139 PolarHBondContact O-N 3.39Å; E1139-E1141 PolarHBondContact O-N 2.81Å |
| 1140 | G | 25.5 | Very low | 42.1 | Very low | 70 Ų | 70 | 138.4 Ų | 138.4 | 72% | 0.722 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -72 | 124.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | R1142 | G1140-R1142 PolarHBondContact O-N 3.36Š|
| 1141 | E | 25.5 | Very low | 44.7 | Very low | 200 Ų | 200 | 132.9 Ų | 132.9 | 94% | 0.935 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 122.4 | -178.8 | -63.4 | -179.3 | 133.3 | 0 | 0 | 111.4 | E1139 | E1139-E1141 PolarHBondContact O-N 2.81Š|
| 1142 | R | 28 | Very low | 47.7 | Very low | 230 Ų | 230 | 123.3 Ų | 123.3 | 87% | 0.868 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -99 | 124.8 | 161.5 | -63.3 | -175.1 | -174.1 | -167 | 2.6 | 106.8 | G1140 E1144 | G1140-R1142 PolarHBondContact O-N 3.36Å; R1142-E1144 PolarHBondContact O-N 3.27Å |
| 1143 | E | 34.4 | Very low | 50.6 | Low | 180 Ų | 180 | 123.4 Ų | 123.4 | 84% | 0.841 | 62% | 0.615 | S | S | * | * | trans | -48.9 | 111.7 | 171.7 | -62.7 | 176.2 | 149.1 | 0 | 0 | 109.3 | F1145 | E1143-F1145 PolarHBondContact O-N 2.68Š| ||
| 1144 | E | 40.9 | Very low | 53.3 | Low | 140 Ų | 140 | 114.7 Ų | 114.7 | 65% | 0.654 | 57% | 0.574 | S | S | * | * | trans | -66.5 | 134.9 | 175.3 | -84 | -145.8 | 110.5 | 0 | 0 | 109.2 | K1120 R1142 N1146 | K1120-E1144 IonicContact NZ-OE1 2.63Å; K1120-E1144 PolarHBondContact NZ-OE1 3.16Å; K1120-E1144 IonicContact NZ-OE2 2.65Å; K1120-E1144 PolarHBondContact NZ-OE2 2.98Å; R1142-E1144 PolarHBondContact O-N 3.27Å; E1144-N1146 VanDerWaalsContact C-N 3.28Å; E1144-N1146 PolarHBondContact O-N 3.26Å | ||
| 1145 | F | 53.3 | Low | 56.3 | Low | 113 Ų | 113 | 106.6 Ų | 106.6 | 50% | 0.496 | 54% | 0.536 | S | S | . | . | trans | -57.9 | 89.7 | 172.2 | -72.4 | -88.7 | 0 | 0 | 0 | 110.6 | E1143 L1147 Y1183 | E1143-F1145 PolarHBondContact O-N 2.68Å; F1145-L1147 HydrophobicContact CB-CD1 3.99Å; F1145-L1147 HydrophobicContact CB-CG 4.27Å; F1145-L1147 PolarHBondContact O-N 3.3Å; F1145-Y1183 HydrophobicContact CD1-CD1 4.32Å; F1145-Y1183 HydrophobicContact CD1-CE1 4.23Å; F1145-Y1183 HydrophobicContact CE1-CD1 4.12Å; F1145-Y1183 HydrophobicContact CE1-CE1 4.13Å | ||
| 1146 | N | 61.1 | Low | 59.2 | Low | 114 Ų | 114 | 102.8 Ų | 102.8 | 61% | 0.61 | 50% | 0.497 | S | S | * | . | trans | -79.9 | 62.1 | -178 | -168.2 | -14.7 | 0 | 0 | 0 | 109.7 | E1144 C1148 K1255 | E1144-N1146 VanDerWaalsContact C-N 3.28Å; E1144-N1146 PolarHBondContact O-N 3.26Å; N1146-C1148 PolarHBondContact O-N 2.87Å; N1146-K1255 PolarHBondContact O-NZ 3.43Å; N1146-K1255 PolarHBondContact OD1-NZ 3.15Å | ||
| 1147 | L | 73.3 | Confident | 62.3 | Low | 34 Ų | 34 | 94.6 Ų | 94.6 | 18% | 0.178 | 46% | 0.459 | C | S | . | . | trans | -75.2 | 121.6 | -179.4 | -71.3 | 156.6 | 0 | 0 | 0 | 110 | Y1061 I1117 F1145 | Y1061-L1147 HydrophobicContact CD2-CD1 3.43Å; Y1061-L1147 VanDerWaalsContact CD2-CD1 3.43Å; Y1061-L1147 HydrophobicContact CD2-CD2 4.12Å; Y1061-L1147 HydrophobicContact CD2-CG 4.42Å; Y1061-L1147 HydrophobicContact CE2-CD1 4.21Å; Y1061-L1147 HydrophobicContact CE2-CD2 4.18Å; Y1061-L1147 HydrophobicContact CG-CD1 3.8Å; I1117-L1147 WeakPolarHBondContact CD1-O 3.41Å; I1117-L1147 HydrophobicContact CG2-CB 4.5Å; F1145-L1147 HydrophobicContact CB-CD1 3.99Å; F1145-L1147 HydrophobicContact CB-CG 4.27Å; F1145-L1147 PolarHBondContact O-N 3.3Å | ||
| 1148 | C | 82.3 | Confident | 65 | Low | 34 Ų | 34 | 85.5 Ų | 85.5 | 23% | 0.23 | 42% | 0.416 | C | S | . | . | trans | -123.1 | 168.6 | 167 | 57.6 | 0 | 0 | 0 | 0 | 109.2 | N1146 A1218 Y1219 K1255 | N1146-C1148 PolarHBondContact O-N 2.87Å; C1148-A1218 CarbonylContact O-C 3.6Å; C1148-A1218 WeakPolarHBondContact O-CA 3.37Å; C1148-Y1219 PolarHBondContact O-N 3.41Å; C1148-K1255 PolarHBondContact SG-NZ 3.25Å | ||
| 1149 | L | 85.3 | Confident | 67.6 | Low | 48 Ų | 48 | 78.2 Ų | 78.2 | 25% | 0.251 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 141.9 | 153 | -67.8 | 175.1 | 0 | 0 | 0 | 107.6 | E1115 S1217 A1218 | E1115-L1149 HydrophobicContact CB-CD2 4.38Å; L1149-S1217 CarbonylContact C-O 3.49Å; L1149-S1217 WeakPolarHBondContact CA-O 3.25Å; L1149-A1218 HydrophobicContact CD2-CB 4.46Å |
| 1150 | L | 86.2 | Confident | 69.6 | Low | 23 Ų | 23 | 70.5 Ų | 70.5 | 12% | 0.12 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 136.4 | 177.7 | -167.5 | 68.5 | 0 | 0 | 0 | 108.6 | Y1152 S1217 Y1219 K1255 | L1150-Y1152 HydrophobicContact CB-CD2 4.5Å; L1150-Y1152 HydrophobicContact CB-CE2 4.26Å; L1150-Y1152 HydrophobicContact CD2-CD1 4.38Å; L1150-Y1152 HydrophobicContact CD2-CD2 4.49Å; L1150-Y1152 HydrophobicContact CD2-CE1 4.02Å; L1150-Y1152 HydrophobicContact CD2-CE2 4.14Å; L1150-Y1152 PolarHBondContact O-N 3.23Å; L1150-S1217 PolarHBondContact N-O 3.14Å; L1150-S1217 PolarHBondContact O-N 3.12Å; L1150-S1217 VanDerWaalsContact O-O 3.08Å; L1150-Y1219 HydrophobicContact CD2-CD2 3.71Å; L1150-Y1219 HydrophobicContact CD2-CE2 4.05Å; L1150-K1255 HydrophobicContact CD2-CB 4.28Å |
| 1151 | N | 86.2 | Confident | 71.5 | Confident | 87 Ų | 87 | 71.5 Ų | 71.5 | 47% | 0.465 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 98.2 | 168.3 | -68.7 | -16.1 | 0 | 0 | 0 | 107.4 | R1153 L1214 I1215 E1216 | N1151-R1153 PolarHBondContact O-N 2.9Å; N1151-L1214 HydrophobicContact CB-CD2 4.45Å; N1151-I1215 WeakPolarHBondContact CA-O 3.44Å; N1151-E1216 WeakPolarHBondContact OD1-CB 3.39Å |
| 1152 | Y | 89.3 | Confident | 73.1 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 118.1 | 170.7 | -72.9 | -87.9 | 0 | 0 | 0 | 108 | L1150 L1179 L1214 I1215 Y1219 L1220 V1223 I1251 W1252 D1253 | L1150-Y1152 HydrophobicContact CB-CD2 4.5Å; L1150-Y1152 HydrophobicContact CB-CE2 4.26Å; L1150-Y1152 HydrophobicContact CD2-CD1 4.38Å; L1150-Y1152 HydrophobicContact CD2-CD2 4.49Å; L1150-Y1152 HydrophobicContact CD2-CE1 4.02Å; L1150-Y1152 HydrophobicContact CD2-CE2 4.14Å; L1150-Y1152 PolarHBondContact O-N 3.23Å; Y1152-L1179 HydrophobicContact CD1-CD1 4.35Å; Y1152-L1179 HydrophobicContact CD2-CD1 4.49Å; Y1152-L1179 HydrophobicContact CG-CD1 4.11Å; Y1152-L1214 WeakPolarHBondContact O-CA 3.36Å; Y1152-I1215 PolarHBondContact N-O 3.41Å; Y1152-I1215 PolarHBondContact O-N 3.29Å; Y1152-Y1219 WeakPolarHBondContact OH-CD2 3.18Å; Y1152-Y1219 WeakPolarHBondContact OH-CE2 3.07Å; Y1152-L1220 HydrophobicContact CE2-CD1 4.5Å; Y1152-L1220 HydrophobicContact CE2-CG 4.18Å; Y1152-L1220 PolarHBondContact OH-N 3.31Å; Y1152-V1223 HydrophobicContact CE1-CG2 4.19Å; Y1152-I1251 HydrophobicContact CD1-CG2 3.96Å; Y1152-W1252 WeakPolarHBondContact CD1-O 3.41Å; Y1152-D1253 HydrophobicContact CE1-CB 4.12Å |
| 1153 | R | 90.9 | Very high | 74.4 | Confident | 77 Ų | 77 | 53.7 Ų | 53.7 | 29% | 0.291 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 135.6 | 166 | -171.8 | -169.6 | -170.7 | 174 | 6.5 | 108.2 | N1151 D1212 T1213 L1214 I1251 W1252 | N1151-R1153 PolarHBondContact O-N 2.9Å; R1153-D1212 VanDerWaalsContact CG-OD1 3.25Å; R1153-D1212 WeakPolarHBondContact CG-OD1 3.46Å; R1153-D1212 IonicContact CZ-OD1 3.86Å; R1153-D1212 IonicContact CZ-OD2 3.61Å; R1153-D1212 VanDerWaalsContact CZ-OD2 3.25Å; R1153-D1212 IonicContact NE-OD1 3.32Å; R1153-D1212 PolarHBondContact NE-OD1 2.84Å; R1153-D1212 IonicContact NE-OD2 2.65Å; R1153-D1212 PolarHBondContact NE-OD2 3.12Å; R1153-D1212 IonicContact NH2-OD2 2.77Å; R1153-D1212 PolarHBondContact NH2-OD2 2.99Å; R1153-T1213 WeakPolarHBondContact CA-O 3.43Å; R1153-L1214 HydrophobicContact CB-CD2 3.89Å; R1153-L1214 HydrophobicContact CG-CD2 4.23Å; R1153-I1251 WeakPolarHBondContact O-CA 3.46Å; R1153-W1252 HydrophobicContact CB-CB 4.1Å; R1153-W1252 HydrophobicContact CB-CD2 4.29Å; R1153-W1252 HydrophobicContact CB-CE3 4.01Å; R1153-W1252 HydrophobicContact CB-CG 4.32Å; R1153-W1252 HydrophobicContact CG-CD2 4.39Å; R1153-W1252 HydrophobicContact CG-CE3 3.97Å; R1153-W1252 HydrophobicContact CG-CZ3 4.47Å; R1153-W1252 PolarHBondContact O-N 2.89Å |
| 1154 | I | 90.8 | Very high | 75.2 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 120.2 | -176.3 | -61.9 | 165.6 | 0 | 0 | 0 | 107 | L1156 I1177 L1179 L1191 T1213 I1215 I1249 L1250 I1251 | I1154-L1156 HydrophobicContact CG2-CD1 3.73Å; I1154-I1177 HydrophobicContact CD1-CG2 4.23Å; I1154-I1177 HydrophobicContact CG2-CD1 4.31Å; I1154-L1179 HydrophobicContact CD1-CD1 4.04Å; I1154-L1179 HydrophobicContact CD1-CD2 4.48Å; I1154-L1179 HydrophobicContact CD1-CG 4.44Å; I1154-L1191 HydrophobicContact CG2-CD2 4.38Å; I1154-T1213 PolarHBondContact N-O 2.95Å; I1154-T1213 PolarHBondContact O-N 3.26Å; I1154-I1215 HydrophobicContact CD1-CB 3.84Å; I1154-I1215 HydrophobicContact CD1-CD1 3.6Å; I1154-I1215 HydrophobicContact CD1-CG1 4Å; I1154-I1249 HydrophobicContact CG2-CG2 3.88Å; I1154-L1250 WeakPolarHBondContact CA-O 3.32Å; I1154-I1251 HydrophobicContact CG1-CG1 4.33Å; I1154-I1251 HydrophobicContact CG1-CG2 4.32Å |
| 1155 | Q | 91.1 | Very high | 75.6 | Confident | 27 Ų | 27 | 48.8 Ų | 48.8 | 13% | 0.126 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 129.6 | 172.8 | -73.2 | -175.4 | -7.5 | 0 | 0 | 109.8 | V1210 L1211 D1212 I1249 L1250 W1252 | Q1155-V1210 HydrophobicContact CB-CG1 3.74Å; Q1155-V1210 HydrophobicContact CG-CG1 3.76Å; Q1155-L1211 CarbonylContact C-O 3.56Å; Q1155-L1211 VanDerWaalsContact CA-O 3.26Å; Q1155-L1211 WeakPolarHBondContact CA-O 3.36Å; Q1155-D1212 HydrophobicContact CG-CB 3.87Å; Q1155-D1212 WeakPolarHBondContact CG-OD1 3.3Å; Q1155-D1212 VanDerWaalsContact NE2-CG 3.31Å; Q1155-D1212 PolarHBondContact NE2-OD2 2.81Å; Q1155-I1249 CarbonylContact O-C 3.05Å; Q1155-I1249 WeakPolarHBondContact O-CA 3.41Å; Q1155-L1250 HydrophobicContact CB-CB 4.37Å; Q1155-L1250 PolarHBondContact N-O 3.12Å; Q1155-L1250 PolarHBondContact O-N 3.32Å; Q1155-W1252 HydrophobicContact CB-CH2 3.94Å; Q1155-W1252 HydrophobicContact CB-CZ3 3.73Å; Q1155-W1252 VanDerWaalsContact CD-CH2 3.44Å; Q1155-W1252 HydrophobicContact CG-CH2 3.75Å; Q1155-W1252 HydrophobicContact CG-CZ3 3.63Å; Q1155-W1252 VanDerWaalsContact OE1-CH2 3.26Å |
| 1156 | L | 91 | Very high | 75.3 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 118.4 | 167.6 | -77 | 67 | 0 | 0 | 0 | 107.6 | I1154 F1158 L1191 V1210 L1211 L1228 I1249 L1268 | I1154-L1156 HydrophobicContact CG2-CD1 3.73Å; L1156-F1158 HydrophobicContact CB-CD2 4.23Å; L1156-F1158 HydrophobicContact CB-CE2 3.49Å; L1156-F1158 VanDerWaalsContact CB-CE2 3.49Å; L1156-F1158 HydrophobicContact CB-CZ 3.9Å; L1156-F1158 HydrophobicContact CD2-CE2 4.3Å; L1156-F1158 HydrophobicContact CD2-CZ 3.88Å; L1156-F1158 WeakPolarHBondContact O-CD2 3.16Å; L1156-L1191 HydrophobicContact CD1-CD1 3.83Å; L1156-L1191 HydrophobicContact CD2-CD1 3.96Å; L1156-V1210 WeakPolarHBondContact O-CA 3.49Å; L1156-L1211 HydrophobicContact CB-CB 4.36Å; L1156-L1211 HydrophobicContact CD2-CD2 4.45Å; L1156-L1211 PolarHBondContact N-O 3.03Å; L1156-L1211 PolarHBondContact O-N 2.86Å; L1156-L1228 HydrophobicContact CD2-CD1 4.15Å; L1156-I1249 HydrophobicContact CD1-CG2 4.09Å; L1156-I1249 HydrophobicContact CG-CG2 4.43Å; L1156-L1268 HydrophobicContact CD2-CD1 3.84Å |
| 1157 | E | 90.3 | Very high | 74.6 | Confident | 25 Ų | 25 | 50.1 Ų | 50.1 | 12% | 0.117 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 128.7 | 172.7 | -57.9 | -172.3 | 143.6 | 0 | 0 | 109.7 | I1208 L1209 V1210 C1246 T1247 K1248 | E1157-I1208 HydrophobicContact CB-CD1 4.28Å; E1157-I1208 HydrophobicContact CG-CD1 4.05Å; E1157-I1208 WeakPolarHBondContact OE1-CD1 3.49Å; E1157-L1209 WeakPolarHBondContact CA-O 3.41Å; E1157-V1210 HydrophobicContact CG-CG2 4.42Å; E1157-C1246 CarbonylContact O-C 3.59Å; E1157-C1246 WeakPolarHBondContact O-CA 3.37Å; E1157-T1247 PolarHBondContact O-N 2.86Å; E1157-T1247 PolarHBondContact O-OG1 2.86Å; E1157-K1248 HydrophobicContact CB-CB 4.11Å; E1157-K1248 HydrophobicContact CG-CB 4.28Å; E1157-K1248 PolarHBondContact N-O 3.19Å; E1157-K1248 WeakPolarHBondContact OE2-CB 3.39Å; E1157-K1248 WeakPolarHBondContact OE2-CD 3.25Å |
| 1158 | F | 86.6 | Confident | 73.4 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 148.8 | 179 | -59.7 | -96.1 | 0 | 0 | 0 | 111.7 | L1156 Y1160 L1173 F1200 I1208 L1209 L1211 L1244 L1245 C1246 L1268 | L1156-F1158 HydrophobicContact CB-CD2 4.23Å; L1156-F1158 HydrophobicContact CB-CE2 3.49Å; L1156-F1158 VanDerWaalsContact CB-CE2 3.49Å; L1156-F1158 HydrophobicContact CB-CZ 3.9Å; L1156-F1158 HydrophobicContact CD2-CE2 4.3Å; L1156-F1158 HydrophobicContact CD2-CZ 3.88Å; L1156-F1158 WeakPolarHBondContact O-CD2 3.16Å; F1158-Y1160 PolarHBondContact O-N 3.34Å; F1158-L1173 HydrophobicContact CE1-CD2 4.24Å; F1158-L1173 HydrophobicContact CZ-CD2 4.07Å; F1158-F1200 HydrophobicContact CD2-CD1 4.48Å; F1158-F1200 AromaticContact CD2-CE1 3.84Å; F1158-F1200 HydrophobicContact CD2-CE1 3.84Å; F1158-F1200 AromaticContact CE2-CE1 3.78Å; F1158-F1200 HydrophobicContact CE2-CE1 3.78Å; F1158-I1208 CarbonylContact O-C 3.53Å; F1158-I1208 WeakPolarHBondContact O-CA 3.02Å; F1158-I1208 WeakPolarHBondContact O-CB 3.41Å; F1158-L1209 HydrophobicContact CB-CB 4.35Å; F1158-L1209 HydrophobicContact CB-CD1 4.39Å; F1158-L1209 PolarHBondContact N-O 2.84Å; F1158-L1209 PolarHBondContact O-N 3.49Å; F1158-L1211 HydrophobicContact CE2-CB 3.87Å; F1158-L1244 HydrophobicContact CD1-CB 3.46Å; F1158-L1244 VanDerWaalsContact CD1-CB 3.46Å; F1158-L1244 HydrophobicContact CD1-CD1 4.07Å; F1158-L1244 HydrophobicContact CD1-CG 4.43Å; F1158-L1244 HydrophobicContact CE1-CB 3.78Å; F1158-L1244 HydrophobicContact CE1-CD1 4.23Å; F1158-L1244 HydrophobicContact CG-CB 4.37Å; F1158-L1244 HydrophobicContact CG-CD1 4.39Å; F1158-L1245 WeakPolarHBondContact CA-O 3.46Å; F1158-C1246 HydrophobicContact CD1-CB 3.9Å; F1158-C1246 HydrophobicContact CE1-CB 3.8Å; F1158-C1246 HydrophobicContact CZ-CB 4.48Å; F1158-L1268 HydrophobicContact CE1-CD1 3.72Å; F1158-L1268 HydrophobicContact CZ-CD1 3.91Å |
| 1159 | N | 80.7 | Confident | 71.9 | Confident | 50 Ų | 50 | 58.4 Ų | 58.4 | 27% | 0.267 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 116.7 | -179.7 | -169.2 | -34.1 | 0 | 0 | 0 | 112.6 | N1161 I1162 L1245 | N1159-N1161 VanDerWaalsContact C-N 3.29Å; N1159-N1161 PolarHBondContact O-N 2.9Å; N1159-N1161 WeakPolarHBondContact OD1-CB 3.17Å; N1159-N1161 PolarHBondContact OD1-N 3.17Å; N1159-N1161 VanDerWaalsContact OD1-N 3.14Å; N1159-I1162 HydrophobicContact CB-CD1 4.1Å; N1159-I1162 PolarHBondContact O-N 3.43Å; N1159-L1245 PolarHBondContact N-O 2.83Å; N1159-L1245 VanDerWaalsContact N-O 3.14Å |
| 1160 | Y | 69.9 | Low | 70.2 | Confident | 28 Ų | 28 | 63 Ų | 63 | 11% | 0.11 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -67.6 | -22.8 | -173.6 | -174.3 | -145.1 | 0 | 0 | 0 | 114.4 | F1158 I1162 I1163 K1164 I1202 E1204 N1207 L1209 | F1158-Y1160 PolarHBondContact O-N 3.34Å; Y1160-I1162 PolarHBondContact O-N 3.07Å; Y1160-I1162 VanDerWaalsContact O-N 3.13Å; Y1160-I1163 PolarHBondContact O-N 2.85Å; Y1160-K1164 HydrophobicContact CD1-CD 4.29Å; Y1160-K1164 HydrophobicContact CE1-CD 3.86Å; Y1160-K1164 HydrophobicContact CE1-CG 4.48Å; Y1160-K1164 HydrophobicContact CE2-CG 4.43Å; Y1160-K1164 VanDerWaalsContact CZ-CE 3.5Å; Y1160-K1164 PolarHBondContact O-N 2.79Å; Y1160-K1164 VanDerWaalsContact OH-CE 3.3Å; Y1160-K1164 WeakPolarHBondContact OH-CE 3.22Å; Y1160-I1202 HydrophobicContact CD1-CG2 4.34Å; Y1160-I1202 HydrophobicContact CE1-CG2 3.8Å; Y1160-I1202 HydrophobicContact CE2-CD1 4.39Å; Y1160-I1202 HydrophobicContact CE2-CG2 4.13Å; Y1160-E1204 HydrophobicContact CE1-CG 4.22Å; Y1160-N1207 VanDerWaalsContact CB-C 3.42Å; Y1160-N1207 VanDerWaalsContact CB-O 3.25Å; Y1160-N1207 WeakPolarHBondContact CB-O 3.46Å; Y1160-N1207 PolarHBondContact N-O 3Å; Y1160-L1209 HydrophobicContact CD2-CD1 3.95Å; Y1160-L1209 HydrophobicContact CD2-CD2 4.06Å; Y1160-L1209 HydrophobicContact CD2-CG 3.8Å; Y1160-L1209 HydrophobicContact CE2-CD2 4.35Å; Y1160-L1209 HydrophobicContact CG-CG 4.48Å |
| 1161 | N | 65 | Low | 69 | Low | 92 Ų | 92 | 62 Ų | 62 | 49% | 0.492 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -61.3 | -24.3 | 179.7 | -76.1 | -18.7 | 0 | 0 | 0 | 113.4 | N1159 I1163 N1207 | N1159-N1161 VanDerWaalsContact C-N 3.29Å; N1159-N1161 PolarHBondContact O-N 2.9Å; N1159-N1161 WeakPolarHBondContact OD1-CB 3.17Å; N1159-N1161 PolarHBondContact OD1-N 3.17Å; N1159-N1161 VanDerWaalsContact OD1-N 3.14Å; N1161-I1163 VanDerWaalsContact C-N 3.34Å; N1161-N1207 PolarHBondContact ND2-ND2 2.91Å; N1161-N1207 PolarHBondContact OD1-ND2 3.47Å; N1161-N1207 PolarHBondContact OD1-OD1 2.95Å |
| 1162 | I | 58.7 | Low | 67.9 | Low | 32 Ų | 32 | 59.1 Ų | 59.1 | 16% | 0.164 | 30% | 0.301 | C | S | . | . | G | 310 helix | trans | -72.1 | -29.4 | -176.5 | -61.6 | 167 | 0 | 0 | 0 | 111.6 | N1159 Y1160 T1165 L1244 L1245 W1267 | N1159-I1162 HydrophobicContact CB-CD1 4.1Å; N1159-I1162 PolarHBondContact O-N 3.43Å; Y1160-I1162 PolarHBondContact O-N 3.07Å; Y1160-I1162 VanDerWaalsContact O-N 3.13Å; I1162-T1165 PolarHBondContact O-OG1 3.48Å; I1162-L1244 HydrophobicContact CG2-CD2 4.22Å; I1162-L1245 HydrophobicContact CD1-CB 3.49Å; I1162-L1245 VanDerWaalsContact CD1-CB 3.49Å; I1162-W1267 HydrophobicContact CD1-CH2 3.51Å; I1162-W1267 HydrophobicContact CD1-CZ2 4.15Å; I1162-W1267 HydrophobicContact CD1-CZ3 3.8Å; I1162-W1267 HydrophobicContact CG1-CH2 4.12Å; I1162-W1267 HydrophobicContact CG2-CZ3 4.37Å |
| 1163 | I | 55.8 | Low | 67 | Low | 23 Ų | 23 | 59.1 Ų | 59.1 | 12% | 0.118 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -40.7 | 177 | -58.2 | -168.8 | 0 | 0 | 0 | 110.7 | Y1160 N1161 T1165 N1166 L1171 L1209 L1244 | Y1160-I1163 PolarHBondContact O-N 2.85Å; N1161-I1163 VanDerWaalsContact C-N 3.34Å; I1163-T1165 PolarHBondContact O-N 3.14Å; I1163-N1166 PolarHBondContact O-N 3.36Å; I1163-L1171 HydrophobicContact CD1-CD1 4.17Å; I1163-L1171 HydrophobicContact CD1-CD2 3.89Å; I1163-L1209 HydrophobicContact CD1-CD1 3.51Å; I1163-L1209 HydrophobicContact CD1-CD2 3.88Å; I1163-L1209 HydrophobicContact CD1-CG 4.36Å; I1163-L1209 HydrophobicContact CG1-CD1 3.99Å; I1163-L1244 HydrophobicContact CD1-CD2 4.18Å; I1163-L1244 HydrophobicContact CG1-CD2 3.97Å |
| 1164 | K | 50.5 | Low | 66.2 | Low | 113 Ų | 113 | 57.5 Ų | 57.5 | 49% | 0.491 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -6.3 | -179.8 | -93.3 | -178.2 | 173.2 | 166.7 | 0 | 115.3 | Y1160 E1204 | Y1160-K1164 HydrophobicContact CD1-CD 4.29Å; Y1160-K1164 HydrophobicContact CE1-CD 3.86Å; Y1160-K1164 HydrophobicContact CE1-CG 4.48Å; Y1160-K1164 HydrophobicContact CE2-CG 4.43Å; Y1160-K1164 VanDerWaalsContact CZ-CE 3.5Å; Y1160-K1164 PolarHBondContact O-N 2.79Å; Y1160-K1164 VanDerWaalsContact OH-CE 3.3Å; Y1160-K1164 WeakPolarHBondContact OH-CE 3.22Å; K1164-E1204 IonicContact NZ-OE1 2.68Å; K1164-E1204 PolarHBondContact NZ-OE1 3.2Å |
| 1165 | T | 49.2 | Very low | 65.9 | Low | 105 Ų | 105 | 57.5 Ų | 57.5 | 64% | 0.644 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | -8.2 | 173.7 | 48.2 | 0 | 0 | 0 | 0 | 114.7 | I1162 I1163 | I1162-T1165 PolarHBondContact O-OG1 3.48Å; I1163-T1165 PolarHBondContact O-N 3.14Å |
| 1166 | N | 47.2 | Very low | 65.7 | Low | 88 Ų | 88 | 56.5 Ų | 56.5 | 47% | 0.471 | 29% | 0.291 | S | S | . | . | trans | -138.3 | 84.6 | -171.8 | -74.9 | -55.3 | 0 | 0 | 0 | 113 | I1163 Q1168 L1169 | I1163-N1166 PolarHBondContact O-N 3.36Å; N1166-Q1168 PolarHBondContact O-N 3.2Å; N1166-L1169 HydrophobicContact CB-CD1 3.76Å; N1166-L1169 HydrophobicContact CB-CG 3.8Å; N1166-L1169 PolarHBondContact O-N 3.01Å | ||
| 1167 | D | 46.6 | Very low | 65.7 | Low | 166 Ų | 166 | 56.5 Ų | 56.5 | 89% | 0.888 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | 13.9 | 176.3 | -62.6 | -37.5 | 0 | 0 | 0 | 115.4 | ||
| 1168 | Q | 46.9 | Very low | 65.8 | Low | 189 Ų | 189 | 56 Ų | 56 | 88% | 0.883 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -137.5 | 13.2 | -177.1 | -64.2 | -167.2 | -8.3 | 0 | 0 | 114 | N1166 N1170 | N1166-Q1168 PolarHBondContact O-N 3.2Å; Q1168-N1170 PolarHBondContact O-N 2.9Å |
| 1169 | L | 51.1 | Low | 66.1 | Low | 53 Ų | 53 | 56 Ų | 56 | 28% | 0.277 | 29% | 0.29 | S | S | . | . | trans | -69.5 | 102.5 | 171.9 | -79.3 | 167.9 | 0 | 0 | 0 | 110.4 | N1166 L1171 F1270 | N1166-L1169 HydrophobicContact CB-CD1 3.76Å; N1166-L1169 HydrophobicContact CB-CG 3.8Å; N1166-L1169 PolarHBondContact O-N 3.01Å; L1169-L1171 HydrophobicContact CB-CD1 3.67Å; L1169-L1171 HydrophobicContact CB-CG 4.37Å; L1169-L1171 HydrophobicContact CD1-CD1 4.49Å; L1169-L1171 PolarHBondContact O-N 3.03Å; L1169-F1270 HydrophobicContact CD2-CE2 4.2Å; L1169-F1270 HydrophobicContact CD2-CZ 4.07Å | ||
| 1170 | N | 50.9 | Low | 66.6 | Low | 144 Ų | 144 | 55.7 Ų | 55.7 | 77% | 0.77 | 29% | 0.288 | S | S | * | . | trans | -67.1 | 84.6 | 152.5 | -82.8 | -14.4 | 0 | 0 | 0 | 107.4 | Q1168 S1172 | Q1168-N1170 PolarHBondContact O-N 2.9Å; N1170-S1172 PolarHBondContact O-N 2.84Å | ||
| 1171 | L | 59.8 | Low | 67.5 | Low | 4 Ų | 4 | 54.9 Ų | 54.9 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | trans | -61.6 | 123.3 | 173.1 | -80.7 | 98.2 | 0 | 0 | 0 | 108.9 | I1163 L1169 I1194 T1195 N1196 F1200 L1244 F1270 | I1163-L1171 HydrophobicContact CD1-CD1 4.17Å; I1163-L1171 HydrophobicContact CD1-CD2 3.89Å; L1169-L1171 HydrophobicContact CB-CD1 3.67Å; L1169-L1171 HydrophobicContact CB-CG 4.37Å; L1169-L1171 HydrophobicContact CD1-CD1 4.49Å; L1169-L1171 PolarHBondContact O-N 3.03Å; L1171-I1194 CarbonylContact C-O 3.5Å; L1171-T1195 VanDerWaalsContact O-CA 3.32Å; L1171-T1195 WeakPolarHBondContact O-CA 3.4Å; L1171-N1196 PolarHBondContact O-N 3.09Å; L1171-F1200 HydrophobicContact CD2-CE2 3.97Å; L1171-F1200 HydrophobicContact CD2-CZ 4.48Å; L1171-L1244 HydrophobicContact CD2-CD1 3.78Å; L1171-L1244 HydrophobicContact CD2-CD2 4.31Å; L1171-L1244 HydrophobicContact CD2-CG 4.3Å; L1171-F1270 HydrophobicContact CD2-CE1 4.23Å; L1171-F1270 HydrophobicContact CG-CE1 4.1Å | ||
| 1172 | S | 64.2 | Low | 68.3 | Low | 26 Ų | 26 | 55.6 Ų | 55.6 | 18% | 0.182 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 101.4 | 165.7 | 162.2 | 0 | 0 | 0 | 0 | 104.4 | N1170 I1194 F1270 | N1170-S1172 PolarHBondContact O-N 2.84Å; S1172-I1194 VanDerWaalsContact CA-O 3.24Å; S1172-I1194 WeakPolarHBondContact CA-O 3.4Å; S1172-F1270 CarbonylContact O-C 3.55Å; S1172-F1270 WeakPolarHBondContact O-CA 3.44Å; S1172-F1270 WeakPolarHBondContact O-CB 3.06Å; S1172-F1270 WeakPolarHBondContact O-CD1 3.2Å |
| 1173 | L | 70.6 | Confident | 69.2 | Low | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 130.5 | -179.3 | -163.5 | 94.9 | 0 | 0 | 0 | 109.5 | F1158 P1175 I1194 L1244 L1268 L1269 F1270 | F1158-L1173 HydrophobicContact CE1-CD2 4.24Å; F1158-L1173 HydrophobicContact CZ-CD2 4.07Å; L1173-P1175 HydrophobicContact CD2-CB 4.23Å; L1173-P1175 HydrophobicContact CD2-CG 3.84Å; L1173-P1175 HydrophobicContact CG-CG 4.39Å; L1173-P1175 WeakPolarHBondContact O-CD 3.33Å; L1173-I1194 HydrophobicContact CB-CB 4.16Å; L1173-I1194 HydrophobicContact CB-CD1 4.26Å; L1173-I1194 HydrophobicContact CD2-CD1 4.01Å; L1173-I1194 PolarHBondContact N-O 2.69Å; L1173-I1194 PolarHBondContact O-N 2.78Å; L1173-L1244 HydrophobicContact CD2-CD1 4.4Å; L1173-L1268 HydrophobicContact CD1-CB 4.22Å; L1173-L1268 HydrophobicContact CD2-CB 4.48Å; L1173-L1269 WeakPolarHBondContact CD1-O 3.48Å; L1173-F1270 WeakPolarHBondContact CA-O 3.44Å; L1173-F1270 HydrophobicContact CB-CD1 4.37Å; L1173-F1270 HydrophobicContact CD1-CD1 3.77Å; L1173-F1270 HydrophobicContact CD1-CE1 4.14Å |
| 1174 | E | 74.3 | Confident | 70.4 | Confident | 42 Ų | 42 | 57 Ų | 57 | 20% | 0.196 | 30% | 0.298 | C | S | . | . | trans | -114.5 | 58.5 | 178.6 | -68.7 | -162.9 | 159.8 | 0 | 0 | 113.3 | L1190 H1193 P1230 F1270 | E1174-L1190 HydrophobicContact CB-CD1 3.95Å; E1174-L1190 WeakPolarHBondContact O-CD1 3.38Å; E1174-H1193 IonicContact OE1-CE1 3.1Å; E1174-H1193 IonicContact OE1-CG 3.2Å; E1174-H1193 IonicContact OE1-ND1 2.76Å; E1174-H1193 PolarHBondContact OE1-ND1 2.68Å; E1174-P1230 VanDerWaalsContact O-CD 3.22Å; E1174-P1230 WeakPolarHBondContact O-CD 3.45Å; E1174-F1270 PolarHBondContact N-O 3.15Å | ||
| 1175 | P | 83.3 | Confident | 72.2 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -72.8 | 138.1 | -176.2 | 33.9 | -35.5 | 0 | 0 | 0 | 110.8 | L1173 L1191 I1194 L1211 G1229 L1268 | L1173-P1175 HydrophobicContact CD2-CB 4.23Å; L1173-P1175 HydrophobicContact CD2-CG 3.84Å; L1173-P1175 HydrophobicContact CG-CG 4.39Å; L1173-P1175 WeakPolarHBondContact O-CD 3.33Å; P1175-L1191 HydrophobicContact CB-CD1 4.14Å; P1175-L1191 HydrophobicContact CG-CB 4.25Å; P1175-L1191 HydrophobicContact CG-CD1 4.28Å; P1175-L1191 VanDerWaalsContact O-CB 3.32Å; P1175-L1191 WeakPolarHBondContact O-CB 3.33Å; P1175-L1191 PolarHBondContact O-N 2.81Å; P1175-I1194 HydrophobicContact CG-CD1 3.56Å; P1175-L1211 HydrophobicContact CG-CD2 4.12Å; P1175-G1229 CarbonylContact C-O 3.55Å; P1175-G1229 WeakPolarHBondContact CA-O 3.2Å; P1175-L1268 HydrophobicContact CB-CD1 3.95Å; P1175-L1268 HydrophobicContact CB-CD2 4.34Å | ||
| 1176 | Y | 86.8 | Confident | 74.1 | Confident | 6 Ų | 6 | 48.2 Ų | 48.2 | 2% | 0.024 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 147.3 | 176 | 66.2 | -95 | 0 | 0 | 0 | 111.1 | R1188 R1189 G1229 P1230 R1272 E1278 | Y1176-R1188 HydrophobicContact CD2-CB 4.37Å; Y1176-R1188 HydrophobicContact CD2-CG 4.34Å; Y1176-R1188 HydrophobicContact CE2-CG 4.37Å; Y1176-R1189 CarbonylContact C-O 3.48Å; Y1176-R1189 WeakPolarHBondContact CA-O 3.46Å; Y1176-R1189 WeakPolarHBondContact CB-O 3.4Å; Y1176-G1229 PolarHBondContact N-O 2.99Å; Y1176-G1229 PolarHBondContact O-N 2.88Å; Y1176-G1229 VanDerWaalsContact O-O 3.1Å; Y1176-P1230 HydrophobicContact CE1-CB 4.31Å; Y1176-R1272 VanDerWaalsContact CE1-NH2 3.31Å; Y1176-E1278 HydrophobicContact CE2-CG 3.78Å; Y1176-E1278 WeakPolarHBondContact CE2-OE1 3.19Å; Y1176-E1278 VanDerWaalsContact OH-CG 3.28Å; Y1176-E1278 WeakPolarHBondContact OH-CG 3.44Å; Y1176-E1278 PolarHBondContact OH-OE1 3.19Å |
| 1177 | I | 90.9 | Very high | 75.8 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 152.7 | -177.5 | -157.1 | 173.6 | 0 | 0 | 0 | 110.6 | I1154 L1179 R1189 L1191 I1215 C1226 F1227 L1228 I1249 | I1154-I1177 HydrophobicContact CD1-CG2 4.23Å; I1154-I1177 HydrophobicContact CG2-CD1 4.31Å; I1177-L1179 HydrophobicContact CD1-CD2 3.77Å; I1177-L1179 HydrophobicContact CG1-CD2 4.12Å; I1177-R1189 PolarHBondContact N-O 2.9Å; I1177-R1189 PolarHBondContact O-N 3.37Å; I1177-L1191 HydrophobicContact CB-CD1 4.24Å; I1177-L1191 HydrophobicContact CG2-CD1 4.35Å; I1177-L1191 HydrophobicContact CG2-CD2 3.83Å; I1177-L1191 HydrophobicContact CG2-CG 4.21Å; I1177-I1215 HydrophobicContact CG2-CD1 3.36Å; I1177-C1226 HydrophobicContact CD1-CB 4.05Å; I1177-C1226 HydrophobicContact CG1-CB 3.9Å; I1177-F1227 CarbonylContact C-O 3.6Å; I1177-F1227 VanDerWaalsContact CA-O 3.27Å; I1177-F1227 WeakPolarHBondContact CA-O 3.27Å; I1177-F1227 VanDerWaalsContact CG1-O 3.24Å; I1177-F1227 WeakPolarHBondContact CG1-O 3.45Å; I1177-L1228 HydrophobicContact CB-CD1 4.5Å; I1177-L1228 HydrophobicContact CG1-CD1 4.4Å; I1177-I1249 HydrophobicContact CD1-CD1 4.1Å; I1177-I1249 HydrophobicContact CD1-CG2 4.15Å |
| 1178 | C | 92.4 | Very high | 77.6 | Confident | 14 Ų | 14 | 42.9 Ų | 42.9 | 10% | 0.095 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 107.5 | 167.7 | -178.5 | 0 | 0 | 0 | 0 | 108.7 | G1187 R1188 C1226 F1227 | C1178-G1187 WeakPolarHBondContact CA-O 3.47Å; C1178-G1187 WeakPolarHBondContact CB-O 2.99Å; C1178-G1187 PolarHBondContact SG-O 2.85Å; C1178-R1188 HydrophobicContact CB-CG 4.46Å; C1178-C1226 CarbonylContact O-C 2.98Å; C1178-C1226 WeakPolarHBondContact O-CA 3.34Å; C1178-C1226 WeakPolarHBondContact O-CB 3.24Å; C1178-F1227 HydrophobicContact CB-CB 4.2Å; C1178-F1227 PolarHBondContact N-O 3.38Å; C1178-F1227 PolarHBondContact O-N 2.92Å |
| 1179 | L | 93.4 | Very high | 79.5 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 140.4 | 175.7 | -56.3 | -169.3 | 0 | 0 | 0 | 110.1 | Y1152 I1154 I1177 D1185 S1186 L1220 C1226 I1251 | Y1152-L1179 HydrophobicContact CD1-CD1 4.35Å; Y1152-L1179 HydrophobicContact CD2-CD1 4.49Å; Y1152-L1179 HydrophobicContact CG-CD1 4.11Å; I1154-L1179 HydrophobicContact CD1-CD1 4.04Å; I1154-L1179 HydrophobicContact CD1-CD2 4.48Å; I1154-L1179 HydrophobicContact CD1-CG 4.44Å; I1177-L1179 HydrophobicContact CD1-CD2 3.77Å; I1177-L1179 HydrophobicContact CG1-CD2 4.12Å; L1179-D1185 CarbonylContact O-C 3.58Å; L1179-D1185 VanDerWaalsContact O-CA 3.23Å; L1179-D1185 WeakPolarHBondContact O-CA 3.32Å; L1179-S1186 PolarHBondContact N-OG 2.88Å; L1179-S1186 PolarHBondContact O-N 3.31Å; L1179-L1220 HydrophobicContact CB-CD1 3.69Å; L1179-C1226 HydrophobicContact CD2-CB 3.87Å; L1179-I1251 HydrophobicContact CD1-CG2 3.92Å; L1179-I1251 HydrophobicContact CD2-CD1 3.52Å; L1179-I1251 HydrophobicContact CD2-CG1 4.27Å |
| 1180 | I | 90.8 | Very high | 80.8 | Confident | 45 Ų | 45 | 33.6 Ų | 33.6 | 23% | 0.231 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 128.1 | 175.7 | -55.4 | 168.9 | 0 | 0 | 0 | 108.1 | V1223 T1224 S1225 F1227 | I1180-V1223 WeakPolarHBondContact O-CA 3.38Å; I1180-T1224 PolarHBondContact O-N 3.46Å; I1180-T1224 PolarHBondContact O-OG1 2.94Å; I1180-S1225 PolarHBondContact N-O 3.5Å; I1180-S1225 PolarHBondContact O-N 3Å; I1180-F1227 HydrophobicContact CD1-CD2 3.87Å; I1180-F1227 HydrophobicContact CD1-CE2 3.65Å |
| 1181 | G | 88.7 | Confident | 82.1 | Confident | 10 Ų | 10 | 27 Ų | 27 | 10% | 0.103 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 179.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y1183 G1184 L1220 E1222 | G1181-Y1183 PolarHBondContact O-N 3.05Å; G1181-G1184 PolarHBondContact N-O 3.16Å; G1181-G1184 PolarHBondContact O-N 3.26Å; G1181-L1220 CarbonylContact C-O 3.57Å; G1181-L1220 VanDerWaalsContact C-O 3.28Å; G1181-E1222 CarbonylContact C-O 3.51Å; G1181-E1222 WeakPolarHBondContact CA-O 3.46Å |
| 1182 | Q | 82.3 | Confident | 82.4 | Confident | 108 Ų | 108 | 26.9 Ų | 26.9 | 51% | 0.505 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -45.9 | -33.9 | -177.2 | -174.2 | -177.7 | 1.6 | 0 | 0 | 115.3 | L1220 E1222 | Q1182-L1220 PolarHBondContact N-O 3.19Å; Q1182-E1222 HydrophobicContact CB-CB 4.32Å; Q1182-E1222 PolarHBondContact N-O 2.87Å |
| 1183 | Y | 78.5 | Confident | 82.3 | Confident | 61 Ų | 61 | 28.4 Ų | 28.4 | 24% | 0.239 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104 | -0.4 | -178.7 | -52.6 | -40.2 | 0 | 0 | 0 | 114 | Y1061 F1145 G1181 Y1219 L1220 G1221 | Y1061-Y1183 PolarHBondContact OH-O 3.21Å; F1145-Y1183 HydrophobicContact CD1-CD1 4.32Å; F1145-Y1183 HydrophobicContact CD1-CE1 4.23Å; F1145-Y1183 HydrophobicContact CE1-CD1 4.12Å; F1145-Y1183 HydrophobicContact CE1-CE1 4.13Å; G1181-Y1183 PolarHBondContact O-N 3.05Å; Y1183-Y1219 HydrophobicContact CD2-CD1 4.26Å; Y1183-Y1219 AromaticContact CE2-CD1 4Å; Y1183-Y1219 HydrophobicContact CE2-CD1 4Å; Y1183-Y1219 HydrophobicContact CE2-CE1 4.04Å; Y1183-L1220 PolarHBondContact N-O 2.83Å; Y1183-G1221 VanDerWaalsContact CD2-N 3.34Å |
| 1184 | G | 80.2 | Confident | 82 | Confident | 23 Ų | 23 | 28.4 Ų | 28.4 | 24% | 0.237 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 136 | -162.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | G1181 | G1181-G1184 PolarHBondContact N-O 3.16Å; G1181-G1184 PolarHBondContact O-N 3.26Å |
| 1185 | D | 88.1 | Confident | 81.3 | Confident | 33 Ų | 33 | 29.6 Ų | 29.6 | 18% | 0.176 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 159.7 | -178 | 64.7 | 109.3 | 0 | 0 | 0 | 113.2 | Y1021 K1062 R1064 L1179 G1187 L1220 | Y1021-D1185 WeakPolarHBondContact CE1-OD2 3.04Å; Y1021-D1185 VanDerWaalsContact OH-CG 3.25Å; Y1021-D1185 PolarHBondContact OH-OD1 2.79Å; Y1021-D1185 VanDerWaalsContact OH-OD1 3.06Å; Y1021-D1185 PolarHBondContact OH-OD2 3Å; K1062-D1185 PolarHBondContact NZ-O 2.89Å; R1064-D1185 IonicContact CZ-OD1 3.24Å; R1064-D1185 VanDerWaalsContact CZ-OD1 3.24Å; R1064-D1185 IonicContact NH1-OD1 2.76Å; R1064-D1185 PolarHBondContact NH1-OD1 3.2Å; R1064-D1185 PolarHBondContact NH2-O 3.12Å; R1064-D1185 IonicContact NH2-OD1 2.84Å; R1064-D1185 PolarHBondContact NH2-OD1 3.44Å; R1064-D1185 IonicContact NH2-OD2 2.64Å; L1179-D1185 CarbonylContact O-C 3.58Å; L1179-D1185 VanDerWaalsContact O-CA 3.23Å; L1179-D1185 WeakPolarHBondContact O-CA 3.32Å; D1185-G1187 WeakPolarHBondContact OD1-CA 3.27Å; D1185-G1187 PolarHBondContact OD1-N 3.44Å; D1185-L1220 WeakPolarHBondContact O-CD2 3.39Å |
| 1186 | S | 88.4 | Confident | 79.9 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -80.5 | -17.5 | 166.3 | 66.1 | 0 | 0 | 0 | 0 | 113.6 | R1064 L1179 R1189 | R1064-S1186 VanDerWaalsContact CZ-C 3.46Å; R1064-S1186 PolarHBondContact NE-O 3.08Å; R1064-S1186 PolarHBondContact NH2-O 3.18Å; L1179-S1186 PolarHBondContact N-OG 2.88Å; L1179-S1186 PolarHBondContact O-N 3.31Å; S1186-R1189 VanDerWaalsContact O-CZ 3.26Å; S1186-R1189 PolarHBondContact O-NE 2.93Å; S1186-R1189 PolarHBondContact O-NH2 2.93Å | ||
| 1187 | G | 84.6 | Confident | 78.3 | Confident | 4 Ų | 4 | 37.8 Ų | 37.8 | 4% | 0.041 | 19% | 0.193 | C | C | . | . | trans | 77 | 172.3 | -164 | 0 | 0 | 0 | 0 | 0 | 111.8 | R1064 C1178 D1185 R1189 | R1064-G1187 VanDerWaalsContact CZ-N 3.3Å; C1178-G1187 WeakPolarHBondContact CA-O 3.47Å; C1178-G1187 WeakPolarHBondContact CB-O 2.99Å; C1178-G1187 PolarHBondContact SG-O 2.85Å; D1185-G1187 WeakPolarHBondContact OD1-CA 3.27Å; D1185-G1187 PolarHBondContact OD1-N 3.44Å; G1187-R1189 PolarHBondContact O-N 3.35Å | ||
| 1188 | R | 84.4 | Confident | 76.5 | Confident | 138 Ų | 138 | 47.8 Ų | 47.8 | 52% | 0.521 | 24% | 0.236 | S | C | . | . | trans | -71 | 121.6 | 175.6 | -68.9 | 178.3 | 175.1 | 90.5 | 7.6 | 109.1 | Y1176 C1178 E1278 | Y1176-R1188 HydrophobicContact CD2-CB 4.37Å; Y1176-R1188 HydrophobicContact CD2-CG 4.34Å; Y1176-R1188 HydrophobicContact CE2-CG 4.37Å; C1178-R1188 HydrophobicContact CB-CG 4.46Å; R1188-E1278 IonicContact CZ-OE1 3.91Å; R1188-E1278 IonicContact CZ-OE2 3.34Å; R1188-E1278 IonicContact NE-OE1 2.7Å; R1188-E1278 PolarHBondContact NE-OE1 3.08Å; R1188-E1278 IonicContact NE-OE2 2.85Å; R1188-E1278 PolarHBondContact NE-OE2 2.57Å; R1188-E1278 IonicContact NH2-OE1 2.69Å; R1188-E1278 PolarHBondContact NH2-OE1 3.01Å; R1188-E1278 IonicContact NH2-OE2 3.91Å; R1188-E1278 PolarHBondContact NH2-OE2 3.08Å | ||
| 1189 | R | 85.1 | Confident | 75.1 | Confident | 13 Ų | 13 | 48.9 Ų | 48.9 | 5% | 0.049 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 117 | -179.6 | -59.4 | -57.2 | 179.7 | 101.3 | 23.9 | 108.7 | S1113 E1115 Y1176 I1177 S1186 G1187 L1191 I1215 E1216 | S1113-R1189 PolarHBondContact O-NH1 2.95Å; S1113-R1189 PolarHBondContact OG-NE 2.8Å; E1115-R1189 IonicContact OE1-NH2 2.73Å; Y1176-R1189 CarbonylContact C-O 3.48Å; Y1176-R1189 WeakPolarHBondContact CA-O 3.46Å; Y1176-R1189 WeakPolarHBondContact CB-O 3.4Å; I1177-R1189 PolarHBondContact N-O 2.9Å; I1177-R1189 PolarHBondContact O-N 3.37Å; S1186-R1189 VanDerWaalsContact O-CZ 3.26Å; S1186-R1189 PolarHBondContact O-NE 2.93Å; S1186-R1189 PolarHBondContact O-NH2 2.93Å; G1187-R1189 PolarHBondContact O-N 3.35Å; R1189-L1191 PolarHBondContact O-N 3.05Å; R1189-I1215 HydrophobicContact CB-CD1 3.37Å; R1189-I1215 HydrophobicContact CB-CG1 3.95Å; R1189-I1215 HydrophobicContact CB-CG2 4.4Å; R1189-I1215 HydrophobicContact CG-CD1 4.03Å; R1189-I1215 HydrophobicContact CG-CG1 4.37Å; R1189-I1215 HydrophobicContact CG-CG2 3.89Å; R1189-E1216 PolarHBondContact NH1-O 3.21Å; R1189-E1216 PolarHBondContact NH2-O 2.92Å |
| 1190 | L | 79.2 | Confident | 74 | Confident | 34 Ų | 34 | 49.7 Ų | 49.7 | 18% | 0.178 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 125.3 | 170.7 | -170.8 | 63.9 | 0 | 0 | 0 | 108.1 | Y1110 E1174 | Y1110-L1190 HydrophobicContact CD1-CD2 3.59Å; Y1110-L1190 HydrophobicContact CD2-CD2 4.06Å; Y1110-L1190 HydrophobicContact CE1-CD2 3.91Å; Y1110-L1190 HydrophobicContact CE2-CD2 4.37Å; Y1110-L1190 HydrophobicContact CG-CD2 3.64Å; Y1110-L1190 HydrophobicContact CG-CG 4.35Å; E1174-L1190 HydrophobicContact CB-CD1 3.95Å; E1174-L1190 WeakPolarHBondContact O-CD1 3.38Å |
| 1191 | L | 78.8 | Confident | 73.4 | Confident | 7 Ų | 7 | 50.3 Ų | 50.3 | 4% | 0.037 | 25% | 0.247 | C | C | . | . | trans | -79.9 | -24.9 | -174.2 | -68.6 | 161.4 | 0 | 0 | 0 | 112 | I1154 L1156 P1175 I1177 R1189 L1211 T1213 I1215 | I1154-L1191 HydrophobicContact CG2-CD2 4.38Å; L1156-L1191 HydrophobicContact CD1-CD1 3.83Å; L1156-L1191 HydrophobicContact CD2-CD1 3.96Å; P1175-L1191 HydrophobicContact CB-CD1 4.14Å; P1175-L1191 HydrophobicContact CG-CB 4.25Å; P1175-L1191 HydrophobicContact CG-CD1 4.28Å; P1175-L1191 VanDerWaalsContact O-CB 3.32Å; P1175-L1191 WeakPolarHBondContact O-CB 3.33Å; P1175-L1191 PolarHBondContact O-N 2.81Å; I1177-L1191 HydrophobicContact CB-CD1 4.24Å; I1177-L1191 HydrophobicContact CG2-CD1 4.35Å; I1177-L1191 HydrophobicContact CG2-CD2 3.83Å; I1177-L1191 HydrophobicContact CG2-CG 4.21Å; R1189-L1191 PolarHBondContact O-N 3.05Å; L1191-L1211 HydrophobicContact CB-CD2 4.36Å; L1191-T1213 HydrophobicContact CB-CG2 4.07Å; L1191-T1213 HydrophobicContact CD2-CG2 3.43Å; L1191-T1213 VanDerWaalsContact CD2-CG2 3.43Å; L1191-T1213 HydrophobicContact CG-CG2 4.35Å; L1191-T1213 PolarHBondContact O-OG1 3.14Å; L1191-I1215 HydrophobicContact CD2-CD1 3.54Å; L1191-I1215 HydrophobicContact CD2-CG1 4.31Å; L1191-I1215 HydrophobicContact CG-CD1 4.49Å | ||
| 1192 | G | 64.6 | Low | 72.7 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | trans | 167.3 | 166.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1193 | H | 63.9 | Low | 72.3 | Confident | 57 Ų | 57 | 49.3 Ų | 49.3 | 26% | 0.264 | 24% | 0.242 | S | C | . | . | trans | -100.2 | 103.7 | 158.7 | 178.3 | 96.6 | 0 | 0 | 0 | 106.2 | Y1110 E1174 T1195 Q1199 | Y1110-H1193 HydrophobicContact CD2-CB 4.28Å; Y1110-H1193 HydrophobicContact CE2-CB 3.47Å; Y1110-H1193 VanDerWaalsContact CE2-CB 3.47Å; E1174-H1193 IonicContact OE1-CE1 3.1Å; E1174-H1193 IonicContact OE1-CG 3.2Å; E1174-H1193 IonicContact OE1-ND1 2.76Å; E1174-H1193 PolarHBondContact OE1-ND1 2.68Å; H1193-T1195 VanDerWaalsContact NE2-CG2 3.34Å; H1193-T1195 WeakPolarHBondContact NE2-CG2 3.31Å; H1193-T1195 PolarHBondContact O-N 2.83Å; H1193-Q1199 PolarHBondContact O-NE2 2.85Å; H1193-Q1199 VanDerWaalsContact O-NE2 3.12Å | ||
| 1194 | I | 64.1 | Low | 71.9 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 104.2 | -164.1 | -61.4 | 157 | 0 | 0 | 0 | 109 | L1171 S1172 L1173 P1175 Q1199 F1200 L1211 | L1171-I1194 CarbonylContact C-O 3.5Å; S1172-I1194 VanDerWaalsContact CA-O 3.24Å; S1172-I1194 WeakPolarHBondContact CA-O 3.4Å; L1173-I1194 HydrophobicContact CB-CB 4.16Å; L1173-I1194 HydrophobicContact CB-CD1 4.26Å; L1173-I1194 HydrophobicContact CD2-CD1 4.01Å; L1173-I1194 PolarHBondContact N-O 2.69Å; L1173-I1194 PolarHBondContact O-N 2.78Å; P1175-I1194 HydrophobicContact CG-CD1 3.56Å; I1194-Q1199 HydrophobicContact CG2-CB 4.2Å; I1194-F1200 HydrophobicContact CG2-CD2 4.25Å; I1194-F1200 HydrophobicContact CG2-CE2 3.46Å; I1194-F1200 VanDerWaalsContact CG2-CE2 3.46Å; I1194-F1200 HydrophobicContact CG2-CZ 3.74Å; I1194-L1211 HydrophobicContact CD1-CD1 3.67Å; I1194-L1211 HydrophobicContact CD1-CD2 3.54Å; I1194-L1211 HydrophobicContact CD1-CG 4.22Å; I1194-L1211 HydrophobicContact CG1-CD1 3.97Å |
| 1195 | T | 58.8 | Low | 71.5 | Confident | 68 Ų | 68 | 59.1 Ų | 59.1 | 42% | 0.417 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 115.1 | -178.9 | 39 | 0 | 0 | 0 | 0 | 112.9 | L1171 H1193 | L1171-T1195 VanDerWaalsContact O-CA 3.32Å; L1171-T1195 WeakPolarHBondContact O-CA 3.4Å; H1193-T1195 VanDerWaalsContact NE2-CG2 3.34Å; H1193-T1195 WeakPolarHBondContact NE2-CG2 3.31Å; H1193-T1195 PolarHBondContact O-N 2.83Å |
| 1196 | N | 54.7 | Low | 70.9 | Confident | 81 Ų | 81 | 63.1 Ų | 63.1 | 43% | 0.433 | 29% | 0.294 | S | S | . | . | S | Bend | trans | 55.6 | 177.4 | -176.4 | -61.5 | -14.2 | 0 | 0 | 0 | 114.7 | L1171 K1198 | L1171-N1196 PolarHBondContact O-N 3.09Å; N1196-K1198 PolarHBondContact O-N 3.41Å |
| 1197 | D | 52.7 | Low | 70.4 | Confident | 97 Ų | 97 | 65.4 Ų | 65.4 | 52% | 0.519 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -60.9 | -17.9 | -161.9 | -49.6 | -45.9 | 0 | 0 | 0 | 116 | Q1199 F1200 | D1197-Q1199 PolarHBondContact O-N 2.6Å; D1197-F1200 PolarHBondContact O-N 3.47Å; D1197-F1200 VanDerWaalsContact O-N 3.12Å |
| 1198 | K | 52.2 | Low | 70.2 | Confident | 209 Ų | 209 | 66 Ų | 66 | 91% | 0.909 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -67 | -4.6 | -168.8 | -67.7 | -170.2 | 176.3 | -174.5 | 0 | 115.9 | N1196 | N1196-K1198 PolarHBondContact O-N 3.41Š|
| 1199 | Q | 63.1 | Low | 70 | Confident | 37 Ų | 37 | 59.7 Ų | 59.7 | 17% | 0.173 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -108.5 | -3 | 176.8 | -59.7 | -174.2 | 26.1 | 0 | 0 | 113.7 | H1193 I1194 D1197 | H1193-Q1199 PolarHBondContact O-NE2 2.85Å; H1193-Q1199 VanDerWaalsContact O-NE2 3.12Å; I1194-Q1199 HydrophobicContact CG2-CB 4.2Å; D1197-Q1199 PolarHBondContact O-N 2.6Å |
| 1200 | F | 72 | Confident | 70 | Confident | 17 Ų | 17 | 59.6 Ų | 59.6 | 8% | 0.075 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 132.9 | 179.1 | -69.5 | -75 | 0 | 0 | 0 | 112.1 | F1158 L1171 I1194 D1197 L1209 L1211 L1244 | F1158-F1200 HydrophobicContact CD2-CD1 4.48Å; F1158-F1200 AromaticContact CD2-CE1 3.84Å; F1158-F1200 HydrophobicContact CD2-CE1 3.84Å; F1158-F1200 AromaticContact CE2-CE1 3.78Å; F1158-F1200 HydrophobicContact CE2-CE1 3.78Å; L1171-F1200 HydrophobicContact CD2-CE2 3.97Å; L1171-F1200 HydrophobicContact CD2-CZ 4.48Å; I1194-F1200 HydrophobicContact CG2-CD2 4.25Å; I1194-F1200 HydrophobicContact CG2-CE2 3.46Å; I1194-F1200 VanDerWaalsContact CG2-CE2 3.46Å; I1194-F1200 HydrophobicContact CG2-CZ 3.74Å; D1197-F1200 PolarHBondContact O-N 3.47Å; D1197-F1200 VanDerWaalsContact O-N 3.12Å; F1200-L1209 HydrophobicContact CB-CB 4.19Å; F1200-L1209 HydrophobicContact CB-CD2 3.77Å; F1200-L1209 HydrophobicContact CD1-CB 3.88Å; F1200-L1209 HydrophobicContact CD1-CD2 4.49Å; F1200-L1209 HydrophobicContact CD2-CD2 4.4Å; F1200-L1209 HydrophobicContact CG-CB 4.2Å; F1200-L1209 HydrophobicContact CG-CD2 4Å; F1200-L1211 HydrophobicContact CD1-CB 4.17Å; F1200-L1211 HydrophobicContact CE1-CB 4.01Å; F1200-L1244 HydrophobicContact CE1-CD1 4.34Å; F1200-L1244 HydrophobicContact CE2-CD1 4.43Å; F1200-L1244 HydrophobicContact CZ-CD1 3.72Å |
| 1201 | I | 76.6 | Confident | 70.2 | Confident | 59 Ų | 59 | 58.2 Ų | 58.2 | 30% | 0.303 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 112.9 | 167.2 | -54.7 | 173.3 | 0 | 0 | 0 | 107.7 | L1209 V1210 D1212 V1299 | I1201-L1209 CarbonylContact O-C 3.53Å; I1201-V1210 HydrophobicContact CB-CB 4.33Å; I1201-V1210 PolarHBondContact N-O 3.43Å; I1201-V1210 PolarHBondContact O-N 2.83Å; I1201-D1212 HydrophobicContact CD1-CB 4.12Å; I1201-V1299 HydrophobicContact CG2-CG1 4.27Å |
| 1202 | I | 74.2 | Confident | 70.5 | Confident | 76 Ų | 76 | 60 Ų | 60 | 39% | 0.39 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 120.9 | 178.3 | -59.8 | 171.3 | 0 | 0 | 0 | 109.3 | Y1160 E1204 L1209 | Y1160-I1202 HydrophobicContact CD1-CG2 4.34Å; Y1160-I1202 HydrophobicContact CE1-CG2 3.8Å; Y1160-I1202 HydrophobicContact CE2-CD1 4.39Å; Y1160-I1202 HydrophobicContact CE2-CG2 4.13Å; I1202-E1204 HydrophobicContact CG2-CG 3.81Å; I1202-L1209 HydrophobicContact CG1-CD2 4.05Å |
| 1203 | N | 74.2 | Confident | 71.4 | Confident | 21 Ų | 21 | 60.7 Ų | 60.7 | 11% | 0.112 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 85.8 | 172 | -171.7 | -32.2 | 0 | 0 | 0 | 109.7 | K1205 R1206 N1207 I1208 | N1203-K1205 VanDerWaalsContact C-N 3.26Å; N1203-K1205 PolarHBondContact O-N 2.92Å; N1203-K1205 PolarHBondContact OD1-N 2.82Å; N1203-R1206 HydrophobicContact CB-CB 4.46Å; N1203-R1206 PolarHBondContact O-N 3.23Å; N1203-R1206 VanDerWaalsContact O-N 3.12Å; N1203-R1206 PolarHBondContact OD1-N 3.15Å; N1203-R1206 VanDerWaalsContact OD1-N 3.14Å; N1203-N1207 PolarHBondContact O-N 2.81Å; N1203-I1208 HydrophobicContact CB-CG1 3.9Å; N1203-I1208 PolarHBondContact N-O 3.26Å; N1203-I1208 PolarHBondContact O-N 3.35Å |
| 1204 | E | 69.9 | Low | 72.3 | Confident | 128 Ų | 128 | 62 Ų | 62 | 60% | 0.598 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -33.7 | -178.3 | -65.8 | -148.7 | 115.7 | 0 | 0 | 113 | Y1160 K1164 I1202 R1206 N1207 | Y1160-E1204 HydrophobicContact CE1-CG 4.22Å; K1164-E1204 IonicContact NZ-OE1 2.68Å; K1164-E1204 PolarHBondContact NZ-OE1 3.2Å; I1202-E1204 HydrophobicContact CG2-CG 3.81Å; E1204-R1206 VanDerWaalsContact C-N 3.25Å; E1204-R1206 PolarHBondContact O-N 2.7Å; E1204-N1207 PolarHBondContact O-N 3.24Å |
| 1205 | K | 73.1 | Confident | 73.3 | Confident | 162 Ų | 162 | 62.4 Ų | 62.4 | 70% | 0.704 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -35.2 | 176.6 | -69.2 | 176.8 | 175.3 | 169.9 | 0 | 112.4 | N1203 E1298 | N1203-K1205 VanDerWaalsContact C-N 3.26Å; N1203-K1205 PolarHBondContact O-N 2.92Å; N1203-K1205 PolarHBondContact OD1-N 2.82Å; K1205-E1298 IonicContact NZ-OE2 2.78Å; K1205-E1298 PolarHBondContact NZ-OE2 2.87Å |
| 1206 | R | 75.1 | Confident | 74.6 | Confident | 116 Ų | 116 | 60.7 Ų | 60.7 | 44% | 0.438 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | -11.4 | 179.2 | -68.8 | -178.7 | -171.1 | -157.2 | -10.9 | 113.4 | N1203 E1204 I1208 E1295 | N1203-R1206 HydrophobicContact CB-CB 4.46Å; N1203-R1206 PolarHBondContact O-N 3.23Å; N1203-R1206 VanDerWaalsContact O-N 3.12Å; N1203-R1206 PolarHBondContact OD1-N 3.15Å; N1203-R1206 VanDerWaalsContact OD1-N 3.14Å; E1204-R1206 VanDerWaalsContact C-N 3.25Å; E1204-R1206 PolarHBondContact O-N 2.7Å; R1206-I1208 VanDerWaalsContact C-N 3.33Å; R1206-I1208 HydrophobicContact CB-CD1 3.97Å; R1206-I1208 HydrophobicContact CB-CG1 3.84Å; R1206-E1295 IonicContact CZ-OE1 2.72Å; R1206-E1295 IonicContact CZ-OE2 3.47Å; R1206-E1295 VanDerWaalsContact CZ-OE2 3.24Å; R1206-E1295 IonicContact NH1-OE1 3.87Å; R1206-E1295 IonicContact NH1-OE2 2.93Å; R1206-E1295 PolarHBondContact NH1-OE2 2.77Å; R1206-E1295 IonicContact NH2-OE1 3.88Å; R1206-E1295 PolarHBondContact NH2-OE1 2.57Å; R1206-E1295 IonicContact NH2-OE2 3.51Å; R1206-E1295 PolarHBondContact NH2-OE2 2.6Å |
| 1207 | N | 77.8 | Confident | 76.2 | Confident | 48 Ų | 48 | 56.8 Ų | 56.8 | 26% | 0.257 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 45 | -172.5 | -159.3 | 78.2 | 0 | 0 | 0 | 112.7 | Y1160 N1161 N1203 E1204 | Y1160-N1207 VanDerWaalsContact CB-C 3.42Å; Y1160-N1207 VanDerWaalsContact CB-O 3.25Å; Y1160-N1207 WeakPolarHBondContact CB-O 3.46Å; Y1160-N1207 PolarHBondContact N-O 3Å; N1161-N1207 PolarHBondContact ND2-ND2 2.91Å; N1161-N1207 PolarHBondContact OD1-ND2 3.47Å; N1161-N1207 PolarHBondContact OD1-OD1 2.95Å; N1203-N1207 PolarHBondContact O-N 2.81Å; E1204-N1207 PolarHBondContact O-N 3.24Å |
| 1208 | I | 80.9 | Confident | 77.9 | Confident | 18 Ų | 18 | 52.2 Ų | 52.2 | 9% | 0.092 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 152.9 | 175.8 | 64.5 | -178.1 | 0 | 0 | 0 | 111.7 | E1157 F1158 N1203 R1206 V1210 | E1157-I1208 HydrophobicContact CB-CD1 4.28Å; E1157-I1208 HydrophobicContact CG-CD1 4.05Å; E1157-I1208 WeakPolarHBondContact OE1-CD1 3.49Å; F1158-I1208 CarbonylContact O-C 3.53Å; F1158-I1208 WeakPolarHBondContact O-CA 3.02Å; F1158-I1208 WeakPolarHBondContact O-CB 3.41Å; N1203-I1208 HydrophobicContact CB-CG1 3.9Å; N1203-I1208 PolarHBondContact N-O 3.26Å; N1203-I1208 PolarHBondContact O-N 3.35Å; R1206-I1208 VanDerWaalsContact C-N 3.33Å; R1206-I1208 HydrophobicContact CB-CD1 3.97Å; R1206-I1208 HydrophobicContact CB-CG1 3.84Å; I1208-V1210 HydrophobicContact CD1-CG2 3.98Å; I1208-V1210 HydrophobicContact CG1-CG2 4.18Å |
| 1209 | L | 79.9 | Confident | 79.7 | Confident | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 144.1 | 159.1 | -56.5 | 122.5 | 0 | 0 | 0 | 108.1 | E1157 F1158 Y1160 I1163 F1200 I1201 I1202 | E1157-L1209 WeakPolarHBondContact CA-O 3.41Å; F1158-L1209 HydrophobicContact CB-CB 4.35Å; F1158-L1209 HydrophobicContact CB-CD1 4.39Å; F1158-L1209 PolarHBondContact N-O 2.84Å; F1158-L1209 PolarHBondContact O-N 3.49Å; Y1160-L1209 HydrophobicContact CD2-CD1 3.95Å; Y1160-L1209 HydrophobicContact CD2-CD2 4.06Å; Y1160-L1209 HydrophobicContact CD2-CG 3.8Å; Y1160-L1209 HydrophobicContact CE2-CD2 4.35Å; Y1160-L1209 HydrophobicContact CG-CG 4.48Å; I1163-L1209 HydrophobicContact CD1-CD1 3.51Å; I1163-L1209 HydrophobicContact CD1-CD2 3.88Å; I1163-L1209 HydrophobicContact CD1-CG 4.36Å; I1163-L1209 HydrophobicContact CG1-CD1 3.99Å; F1200-L1209 HydrophobicContact CB-CB 4.19Å; F1200-L1209 HydrophobicContact CB-CD2 3.77Å; F1200-L1209 HydrophobicContact CD1-CB 3.88Å; F1200-L1209 HydrophobicContact CD1-CD2 4.49Å; F1200-L1209 HydrophobicContact CD2-CD2 4.4Å; F1200-L1209 HydrophobicContact CG-CB 4.2Å; F1200-L1209 HydrophobicContact CG-CD2 4Å; I1201-L1209 CarbonylContact O-C 3.53Å; I1202-L1209 HydrophobicContact CG1-CD2 4.05Å |
| 1210 | V | 83.8 | Confident | 80.8 | Confident | 12 Ų | 12 | 41.2 Ų | 41.2 | 7% | 0.073 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 120.2 | 174.4 | -173.1 | 0 | 0 | 0 | 0 | 109.5 | Q1155 L1156 E1157 I1201 I1208 | Q1155-V1210 HydrophobicContact CB-CG1 3.74Å; Q1155-V1210 HydrophobicContact CG-CG1 3.76Å; L1156-V1210 WeakPolarHBondContact O-CA 3.49Å; E1157-V1210 HydrophobicContact CG-CG2 4.42Å; I1201-V1210 HydrophobicContact CB-CB 4.33Å; I1201-V1210 PolarHBondContact N-O 3.43Å; I1201-V1210 PolarHBondContact O-N 2.83Å; I1208-V1210 HydrophobicContact CD1-CG2 3.98Å; I1208-V1210 HydrophobicContact CG1-CG2 4.18Å |
| 1211 | L | 84.3 | Confident | 81.5 | Confident | 5 Ų | 5 | 40.4 Ų | 40.4 | 3% | 0.026 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 114.9 | 163.6 | 176.1 | 75.2 | 0 | 0 | 0 | 107.5 | Q1155 L1156 F1158 P1175 L1191 I1194 F1200 | Q1155-L1211 CarbonylContact C-O 3.56Å; Q1155-L1211 VanDerWaalsContact CA-O 3.26Å; Q1155-L1211 WeakPolarHBondContact CA-O 3.36Å; L1156-L1211 HydrophobicContact CB-CB 4.36Å; L1156-L1211 HydrophobicContact CD2-CD2 4.45Å; L1156-L1211 PolarHBondContact N-O 3.03Å; L1156-L1211 PolarHBondContact O-N 2.86Å; F1158-L1211 HydrophobicContact CE2-CB 3.87Å; P1175-L1211 HydrophobicContact CG-CD2 4.12Å; L1191-L1211 HydrophobicContact CB-CD2 4.36Å; I1194-L1211 HydrophobicContact CD1-CD1 3.67Å; I1194-L1211 HydrophobicContact CD1-CD2 3.54Å; I1194-L1211 HydrophobicContact CD1-CG 4.22Å; I1194-L1211 HydrophobicContact CG1-CD1 3.97Å; F1200-L1211 HydrophobicContact CD1-CB 4.17Å; F1200-L1211 HydrophobicContact CE1-CB 4.01Å |
| 1212 | D | 84.6 | Confident | 82.1 | Confident | 45 Ų | 45 | 41.9 Ų | 41.9 | 24% | 0.241 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 121.9 | -179.4 | -166.7 | -3.4 | 0 | 0 | 0 | 110 | R1153 Q1155 I1201 | R1153-D1212 VanDerWaalsContact CG-OD1 3.25Å; R1153-D1212 WeakPolarHBondContact CG-OD1 3.46Å; R1153-D1212 IonicContact CZ-OD1 3.86Å; R1153-D1212 IonicContact CZ-OD2 3.61Å; R1153-D1212 VanDerWaalsContact CZ-OD2 3.25Å; R1153-D1212 IonicContact NE-OD1 3.32Å; R1153-D1212 PolarHBondContact NE-OD1 2.84Å; R1153-D1212 IonicContact NE-OD2 2.65Å; R1153-D1212 PolarHBondContact NE-OD2 3.12Å; R1153-D1212 IonicContact NH2-OD2 2.77Å; R1153-D1212 PolarHBondContact NH2-OD2 2.99Å; Q1155-D1212 HydrophobicContact CG-CB 3.87Å; Q1155-D1212 WeakPolarHBondContact CG-OD1 3.3Å; Q1155-D1212 VanDerWaalsContact NE2-CG 3.31Å; Q1155-D1212 PolarHBondContact NE2-OD2 2.81Å; I1201-D1212 HydrophobicContact CD1-CB 4.12Å |
| 1213 | T | 82.8 | Confident | 82.9 | Confident | 15 Ų | 15 | 38.4 Ų | 38.4 | 9% | 0.092 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 170.5 | -174.3 | -171.2 | 0 | 0 | 0 | 0 | 112.4 | R1153 I1154 L1191 | R1153-T1213 WeakPolarHBondContact CA-O 3.43Å; I1154-T1213 PolarHBondContact N-O 2.95Å; I1154-T1213 PolarHBondContact O-N 3.26Å; L1191-T1213 HydrophobicContact CB-CG2 4.07Å; L1191-T1213 HydrophobicContact CD2-CG2 3.43Å; L1191-T1213 VanDerWaalsContact CD2-CG2 3.43Å; L1191-T1213 HydrophobicContact CG-CG2 4.35Å; L1191-T1213 PolarHBondContact O-OG1 3.14Å |
| 1214 | L | 84.6 | Confident | 83.8 | Confident | 83 Ų | 83 | 40.8 Ų | 40.8 | 44% | 0.435 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 125.3 | -175.1 | -64.5 | 175.6 | 0 | 0 | 0 | 110.7 | N1151 Y1152 R1153 | N1151-L1214 HydrophobicContact CB-CD2 4.45Å; Y1152-L1214 WeakPolarHBondContact O-CA 3.36Å; R1153-L1214 HydrophobicContact CB-CD2 3.89Å; R1153-L1214 HydrophobicContact CG-CD2 4.23Å |
| 1215 | I | 85 | Confident | 84.9 | Confident | 9 Ų | 9 | 35 Ų | 35 | 5% | 0.046 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 117.4 | 170.9 | -79.8 | 173.6 | 0 | 0 | 0 | 110.8 | N1151 Y1152 I1154 I1177 R1189 L1191 S1217 | N1151-I1215 WeakPolarHBondContact CA-O 3.44Å; Y1152-I1215 PolarHBondContact N-O 3.41Å; Y1152-I1215 PolarHBondContact O-N 3.29Å; I1154-I1215 HydrophobicContact CD1-CB 3.84Å; I1154-I1215 HydrophobicContact CD1-CD1 3.6Å; I1154-I1215 HydrophobicContact CD1-CG1 4Å; I1177-I1215 HydrophobicContact CG2-CD1 3.36Å; R1189-I1215 HydrophobicContact CB-CD1 3.37Å; R1189-I1215 HydrophobicContact CB-CG1 3.95Å; R1189-I1215 HydrophobicContact CB-CG2 4.4Å; R1189-I1215 HydrophobicContact CG-CD1 4.03Å; R1189-I1215 HydrophobicContact CG-CG1 4.37Å; R1189-I1215 HydrophobicContact CG-CG2 3.89Å; L1191-I1215 HydrophobicContact CD2-CD1 3.54Å; L1191-I1215 HydrophobicContact CD2-CG1 4.31Å; L1191-I1215 HydrophobicContact CG-CD1 4.49Å; I1215-S1217 PolarHBondContact O-N 3.39Å |
| 1216 | E | 84.9 | Confident | 85.9 | Confident | 32 Ų | 32 | 27.3 Ų | 27.3 | 15% | 0.15 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 106.7 | 172.7 | -172.6 | -168.3 | 50.1 | 0 | 0 | 110.6 | R1101 R1114 N1151 R1189 | R1101-E1216 IonicContact CZ-OE1 2.72Å; R1101-E1216 IonicContact CZ-OE2 2.7Å; R1101-E1216 VanDerWaalsContact CZ-OE2 3.32Å; R1101-E1216 IonicContact NE-OE1 2.93Å; R1101-E1216 PolarHBondContact NE-OE1 2.76Å; R1101-E1216 IonicContact NE-OE2 2.66Å; R1101-E1216 PolarHBondContact NE-OE2 2.98Å; R1101-E1216 IonicContact NH2-OE1 3.96Å; R1101-E1216 PolarHBondContact NH2-OE1 3.4Å; R1101-E1216 IonicContact NH2-OE2 3.54Å; R1101-E1216 PolarHBondContact NH2-OE2 3.01Å; R1101-E1216 VanDerWaalsContact NH2-OE2 3.12Å; R1114-E1216 IonicContact CZ-OE1 3.8Å; R1114-E1216 IonicContact NH1-OE1 3.35Å; R1114-E1216 PolarHBondContact NH1-OE1 3.02Å; R1114-E1216 IonicContact NH1-OE2 3.77Å; N1151-E1216 WeakPolarHBondContact OD1-CB 3.39Å; R1189-E1216 PolarHBondContact NH1-O 3.21Å; R1189-E1216 PolarHBondContact NH2-O 2.92Å |
| 1217 | S | 88 | Confident | 86.7 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 159.7 | 177.4 | -175.7 | 0 | 0 | 0 | 0 | 110.1 | E1115 L1149 L1150 I1215 | E1115-S1217 PolarHBondContact OE2-OG 3.05Å; L1149-S1217 CarbonylContact C-O 3.49Å; L1149-S1217 WeakPolarHBondContact CA-O 3.25Å; L1150-S1217 PolarHBondContact N-O 3.14Å; L1150-S1217 PolarHBondContact O-N 3.12Å; L1150-S1217 VanDerWaalsContact O-O 3.08Å; I1215-S1217 PolarHBondContact O-N 3.39Å |
| 1218 | A | 88.5 | Confident | 87.4 | Confident | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.008 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 150.4 | 156.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | K1062 E1115 I1117 C1148 L1149 L1220 | K1062-A1218 HydrophobicContact CD-CB 3.52Å; K1062-A1218 HydrophobicContact CG-CB 4.44Å; E1115-A1218 VanDerWaalsContact OE2-CB 3.31Å; E1115-A1218 WeakPolarHBondContact OE2-CB 3.09Å; E1115-A1218 PolarHBondContact OE2-N 2.99Å; I1117-A1218 HydrophobicContact CG2-CB 3.64Å; C1148-A1218 CarbonylContact O-C 3.6Å; C1148-A1218 WeakPolarHBondContact O-CA 3.37Å; L1149-A1218 HydrophobicContact CD2-CB 4.46Å; A1218-L1220 VanDerWaalsContact O-CD2 3.29Å; A1218-L1220 WeakPolarHBondContact O-CD2 3.17Å; A1218-L1220 WeakPolarHBondContact O-CG 3.41Å; A1218-L1220 PolarHBondContact O-N 2.87Å |
| 1219 | Y | 89.6 | Confident | 87.7 | Confident | 14 Ų | 14 | 22 Ų | 22 | 6% | 0.055 | 11% | 0.113 | C | C | . | . | trans | -57.9 | 121.8 | -179.9 | -173.1 | -120.3 | 0 | 0 | 0 | 111.6 | C1148 L1150 Y1152 Y1183 G1221 D1253 K1255 K1256 | C1148-Y1219 PolarHBondContact O-N 3.41Å; L1150-Y1219 HydrophobicContact CD2-CD2 3.71Å; L1150-Y1219 HydrophobicContact CD2-CE2 4.05Å; Y1152-Y1219 WeakPolarHBondContact OH-CD2 3.18Å; Y1152-Y1219 WeakPolarHBondContact OH-CE2 3.07Å; Y1183-Y1219 HydrophobicContact CD2-CD1 4.26Å; Y1183-Y1219 AromaticContact CE2-CD1 4Å; Y1183-Y1219 HydrophobicContact CE2-CD1 4Å; Y1183-Y1219 HydrophobicContact CE2-CE1 4.04Å; Y1219-G1221 VanDerWaalsContact CE1-CA 3.48Å; Y1219-D1253 VanDerWaalsContact CE2-OD1 3.3Å; Y1219-D1253 WeakPolarHBondContact CE2-OD1 3.03Å; Y1219-D1253 WeakPolarHBondContact CE2-OD2 3.47Å; Y1219-D1253 PolarHBondContact OH-OD2 3.41Å; Y1219-K1255 HydrophobicContact CD1-CD 3.98Å; Y1219-K1255 HydrophobicContact CD2-CB 4.29Å; Y1219-K1255 HydrophobicContact CD2-CD 4.09Å; Y1219-K1255 HydrophobicContact CE1-CD 4.1Å; Y1219-K1255 HydrophobicContact CE1-CG 4.46Å; Y1219-K1255 HydrophobicContact CE2-CB 3.87Å; Y1219-K1255 HydrophobicContact CE2-CD 4.25Å; Y1219-K1255 HydrophobicContact CE2-CG 4.35Å; Y1219-K1255 HydrophobicContact CG-CD 3.99Å; Y1219-K1256 WeakPolarHBondContact OH-CG 3.48Å | ||
| 1220 | L | 87.6 | Confident | 87.8 | Confident | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | trans | -90.8 | -5.6 | -174 | -55.2 | -177.4 | 0 | 0 | 0 | 113.3 | Y1152 L1179 G1181 Q1182 Y1183 D1185 A1218 | Y1152-L1220 HydrophobicContact CE2-CD1 4.5Å; Y1152-L1220 HydrophobicContact CE2-CG 4.18Å; Y1152-L1220 PolarHBondContact OH-N 3.31Å; L1179-L1220 HydrophobicContact CB-CD1 3.69Å; G1181-L1220 CarbonylContact C-O 3.57Å; G1181-L1220 VanDerWaalsContact C-O 3.28Å; Q1182-L1220 PolarHBondContact N-O 3.19Å; Y1183-L1220 PolarHBondContact N-O 2.83Å; D1185-L1220 WeakPolarHBondContact O-CD2 3.39Å; A1218-L1220 VanDerWaalsContact O-CD2 3.29Å; A1218-L1220 WeakPolarHBondContact O-CD2 3.17Å; A1218-L1220 WeakPolarHBondContact O-CG 3.41Å; A1218-L1220 PolarHBondContact O-N 2.87Å | ||
| 1221 | G | 86.8 | Confident | 87.8 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | S | Bend | trans | 73.3 | -146.7 | -169.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y1183 Y1219 V1223 | Y1183-G1221 VanDerWaalsContact CD2-N 3.34Å; Y1219-G1221 VanDerWaalsContact CE1-CA 3.48Å; G1221-V1223 PolarHBondContact O-N 3.46Å |
| 1222 | E | 88.9 | Confident | 87.1 | Confident | 90 Ų | 90 | 22.1 Ų | 22.1 | 42% | 0.421 | 11% | 0.114 | S | C | . | . | S | Bend | trans | -60.7 | 120.1 | 173.3 | -151 | 153.5 | 107.5 | 0 | 0 | 111.3 | G1181 Q1182 K1256 Y1260 | G1181-E1222 CarbonylContact C-O 3.51Å; G1181-E1222 WeakPolarHBondContact CA-O 3.46Å; Q1182-E1222 HydrophobicContact CB-CB 4.32Å; Q1182-E1222 PolarHBondContact N-O 2.87Å; E1222-K1256 VanDerWaalsContact CB-NZ 3.31Å; E1222-K1256 IonicContact OE2-NZ 2.91Å; E1222-K1256 PolarHBondContact OE2-NZ 2.97Å; E1222-Y1260 WeakPolarHBondContact CA-OH 3.37Å; E1222-Y1260 HydrophobicContact CG-CE1 4.06Å |
| 1223 | V | 91.6 | Very high | 86.1 | Confident | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.012 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 127.8 | 170.6 | -178.5 | 0 | 0 | 0 | 0 | 107.8 | Y1152 I1180 G1221 I1251 Y1260 V1283 | Y1152-V1223 HydrophobicContact CE1-CG2 4.19Å; I1180-V1223 WeakPolarHBondContact O-CA 3.38Å; G1221-V1223 PolarHBondContact O-N 3.46Å; V1223-I1251 HydrophobicContact CG1-CD1 4.26Å; V1223-Y1260 HydrophobicContact CB-CD1 4.17Å; V1223-Y1260 HydrophobicContact CB-CD2 3.72Å; V1223-Y1260 HydrophobicContact CB-CE1 4.22Å; V1223-Y1260 HydrophobicContact CB-CE2 3.73Å; V1223-Y1260 HydrophobicContact CB-CG 3.95Å; V1223-Y1260 HydrophobicContact CG2-CD2 3.9Å; V1223-Y1260 HydrophobicContact CG2-CE2 3.65Å; V1223-Y1260 PolarHBondContact N-OH 3.05Å; V1223-Y1260 WeakPolarHBondContact O-CD1 3.21Å; V1223-Y1260 WeakPolarHBondContact O-CE1 3.41Å; V1223-V1283 HydrophobicContact CG1-CG2 4.48Å |
| 1224 | T | 91.5 | Very high | 84.9 | Confident | 71 Ų | 71 | 27.2 Ų | 27.2 | 44% | 0.436 | 14% | 0.137 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | -27.8 | -176.9 | 62.9 | 0 | 0 | 0 | 0 | 112.6 | I1180 V1283 | I1180-T1224 PolarHBondContact O-N 3.46Å; I1180-T1224 PolarHBondContact O-OG1 2.94Å; T1224-V1283 PolarHBondContact O-N 2.91Å; T1224-V1283 VanDerWaalsContact O-N 3.09Å |
| 1225 | S | 93.6 | Very high | 83.3 | Confident | 7 Ų | 7 | 28.4 Ų | 28.4 | 5% | 0.049 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.5 | 170.3 | -177.7 | 52.6 | 0 | 0 | 0 | 0 | 111.4 | I1180 H1280 L1281 | I1180-S1225 PolarHBondContact N-O 3.5Å; I1180-S1225 PolarHBondContact O-N 3Å; S1225-H1280 WeakPolarHBondContact CB-NE2 3.36Å; S1225-H1280 PolarHBondContact OG-NE2 3.14Å; S1225-L1281 CarbonylContact C-O 3.54Å; S1225-L1281 WeakPolarHBondContact CA-O 3.41Å; S1225-L1281 WeakPolarHBondContact CB-O 3.35Å |
| 1226 | C | 93.4 | Very high | 81.6 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 156.1 | 166.8 | 67.1 | 0 | 0 | 0 | 0 | 112.3 | I1177 C1178 L1179 I1262 H1280 L1281 | I1177-C1226 HydrophobicContact CD1-CB 4.05Å; I1177-C1226 HydrophobicContact CG1-CB 3.9Å; C1178-C1226 CarbonylContact O-C 2.98Å; C1178-C1226 WeakPolarHBondContact O-CA 3.34Å; C1178-C1226 WeakPolarHBondContact O-CB 3.24Å; L1179-C1226 HydrophobicContact CD2-CB 3.87Å; C1226-I1262 HydrophobicContact CB-CD1 4.13Å; C1226-I1262 VanDerWaalsContact SG-CD1 3.55Å; C1226-H1280 WeakPolarHBondContact O-CA 3.02Å; C1226-H1280 PolarHBondContact O-CD2 3.45Å; C1226-L1281 PolarHBondContact N-O 2.87Å; C1226-L1281 PolarHBondContact O-N 2.7Å |
| 1227 | F | 92.9 | Very high | 79.8 | Confident | 71 Ų | 71 | 31 Ų | 31 | 31% | 0.311 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 139.6 | 154 | -67.5 | -85.3 | 0 | 0 | 0 | 109.7 | I1177 C1178 I1180 E1278 I1279 H1280 | I1177-F1227 CarbonylContact C-O 3.6Å; I1177-F1227 VanDerWaalsContact CA-O 3.27Å; I1177-F1227 WeakPolarHBondContact CA-O 3.27Å; I1177-F1227 VanDerWaalsContact CG1-O 3.24Å; I1177-F1227 WeakPolarHBondContact CG1-O 3.45Å; C1178-F1227 HydrophobicContact CB-CB 4.2Å; C1178-F1227 PolarHBondContact N-O 3.38Å; C1178-F1227 PolarHBondContact O-N 2.92Å; I1180-F1227 HydrophobicContact CD1-CD2 3.87Å; I1180-F1227 HydrophobicContact CD1-CE2 3.65Å; F1227-E1278 HydrophobicContact CD1-CB 4.34Å; F1227-I1279 CarbonylContact C-O 3.56Å; F1227-I1279 VanDerWaalsContact CA-O 3.22Å; F1227-I1279 WeakPolarHBondContact CA-O 3.27Å; F1227-H1280 HydrophobicContact CD1-CB 3.81Å; F1227-H1280 HydrophobicContact CE1-CB 3.7Å; F1227-H1280 HydrophobicContact CZ-CB 4.46Å |
| 1228 | L | 92.2 | Very high | 78 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 136.5 | 174.4 | -179.5 | 74.5 | 0 | 0 | 0 | 109.4 | L1156 I1177 I1249 L1268 E1278 I1279 L1281 | L1156-L1228 HydrophobicContact CD2-CD1 4.15Å; I1177-L1228 HydrophobicContact CB-CD1 4.5Å; I1177-L1228 HydrophobicContact CG1-CD1 4.4Å; L1228-I1249 HydrophobicContact CB-CD1 4.48Å; L1228-I1249 HydrophobicContact CD1-CD1 4.32Å; L1228-I1249 HydrophobicContact CD2-CD1 4.13Å; L1228-L1268 HydrophobicContact CD1-CD1 4.4Å; L1228-L1268 HydrophobicContact CD1-CD2 4.37Å; L1228-L1268 HydrophobicContact CD2-CD1 4.18Å; L1228-L1268 HydrophobicContact CD2-CD2 4.16Å; L1228-L1268 HydrophobicContact CD2-CG 4.26Å; L1228-L1268 HydrophobicContact CG-CD2 4.02Å; L1228-E1278 CarbonylContact O-C 3.54Å; L1228-E1278 VanDerWaalsContact O-CA 3.3Å; L1228-E1278 WeakPolarHBondContact O-CA 3.33Å; L1228-I1279 HydrophobicContact CB-CG2 3.97Å; L1228-I1279 PolarHBondContact N-O 3.01Å; L1228-I1279 PolarHBondContact O-N 3.47Å; L1228-L1281 HydrophobicContact CB-CD1 4.32Å; L1228-L1281 HydrophobicContact CD2-CD1 4.35Å |
| 1229 | G | 86.6 | Confident | 76.1 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 176.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | P1175 Y1176 | P1175-G1229 CarbonylContact C-O 3.55Å; P1175-G1229 WeakPolarHBondContact CA-O 3.2Å; Y1176-G1229 PolarHBondContact N-O 2.99Å; Y1176-G1229 PolarHBondContact O-N 2.88Å; Y1176-G1229 VanDerWaalsContact O-O 3.1Å |
| 1230 | P | 83.4 | Confident | 74.2 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | cis | -76.3 | 127.7 | -11.4 | 32.7 | -33.1 | 0 | 0 | 0 | 110.4 | E1174 Y1176 L1268 L1269 T1276 | E1174-P1230 VanDerWaalsContact O-CD 3.22Å; E1174-P1230 WeakPolarHBondContact O-CD 3.45Å; Y1176-P1230 HydrophobicContact CE1-CB 4.31Å; P1230-L1268 WeakPolarHBondContact O-CA 3.15Å; P1230-L1268 WeakPolarHBondContact O-CD2 2.99Å; P1230-L1269 HydrophobicContact CB-CB 4.43Å; P1230-L1269 HydrophobicContact CG-CB 4.25Å; P1230-L1269 PolarHBondContact O-N 3.49Å; P1230-T1276 HydrophobicContact CB-CG2 3.36Å; P1230-T1276 HydrophobicContact CG-CG2 4.39Å |
| 1231 | V | 82 | Confident | 72.7 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.012 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 145.2 | -178.4 | -70.6 | 0 | 0 | 0 | 0 | 112.6 | I1233 T1266 W1267 L1268 H1277 I1279 | V1231-I1233 HydrophobicContact CG2-CD1 4.27Å; V1231-I1233 HydrophobicContact CG2-CG1 4.1Å; V1231-T1266 HydrophobicContact CB-CG2 3.77Å; V1231-T1266 HydrophobicContact CG1-CG2 3.48Å; V1231-T1266 VanDerWaalsContact CG1-CG2 3.48Å; V1231-W1267 WeakPolarHBondContact CA-O 3.49Å; V1231-L1268 HydrophobicContact CG1-CD2 3.93Å; V1231-H1277 HydrophobicContact CG2-CB 4.17Å; V1231-H1277 WeakPolarHBondContact CG2-O 3.33Å; V1231-H1277 PolarHBondContact N-O 2.69Å; V1231-H1277 VanDerWaalsContact N-O 3.14Å; V1231-I1279 HydrophobicContact CG1-CG2 3.92Å; V1231-I1279 HydrophobicContact CG2-CB 4.13Å; V1231-I1279 HydrophobicContact CG2-CG2 4.41Å |
| 1232 | D | 70.9 | Confident | 71.5 | Confident | 22 Ų | 22 | 58.6 Ų | 58.6 | 12% | 0.118 | 29% | 0.287 | C | S | . | . | trans | -74 | 128 | 165.6 | -170.9 | 6.5 | 0 | 0 | 0 | 109.2 | E1234 W1267 L1269 | D1232-E1234 PolarHBondContact OD1-N 2.97Å; D1232-W1267 HydrophobicContact CB-CB 4.09Å; D1232-W1267 PolarHBondContact N-O 3.21Å; D1232-L1269 HydrophobicContact CB-CD2 3.86Å; D1232-L1269 HydrophobicContact CB-CG 4.09Å | ||
| 1233 | I | 63.9 | Low | 70.6 | Confident | 96 Ų | 96 | 54.5 Ų | 54.5 | 49% | 0.492 | 27% | 0.269 | S | S | . | . | trans | -118.8 | -7.4 | 176.7 | -65.3 | -163.6 | 0 | 0 | 0 | 110.8 | V1231 H1277 | V1231-I1233 HydrophobicContact CG2-CD1 4.27Å; V1231-I1233 HydrophobicContact CG2-CG1 4.1Å; I1233-H1277 HydrophobicContact CD1-CB 3.41Å; I1233-H1277 VanDerWaalsContact CD1-CB 3.41Å; I1233-H1277 HydrophobicContact CG1-CB 3.89Å | ||
| 1234 | E | 57.6 | Low | 70 | Confident | 71 Ų | 71 | 54.4 Ų | 54.4 | 33% | 0.332 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -75.5 | 146.2 | 179.4 | -62.5 | -173.5 | 161.4 | 0 | 0 | 110.8 | H30 D1232 Q1236 | H30-E1234 IonicContact CE1-OE1 2.63Å; H30-E1234 PolarHBondContact CE1-OE1 2.74Å; D1232-E1234 PolarHBondContact OD1-N 2.97Å; E1234-Q1236 HydrophobicContact CB-CG 4.01Å; E1234-Q1236 PolarHBondContact O-N 2.82Å; E1234-Q1236 PolarHBondContact OE2-NE2 2.82Å |
| 1235 | E | 50.5 | Low | 69.7 | Low | 107 Ų | 107 | 52.3 Ų | 52.3 | 50% | 0.5 | 25% | 0.254 | S | S | . | . | trans | -75.1 | 55.2 | 171.3 | -72.5 | -168.4 | -114.2 | 0 | 0 | 111.8 | F58 F113 | F58-E1235 HydrophobicContact CE1-CB 4.19Å; F58-E1235 HydrophobicContact CZ-CB 4.39Å; F113-E1235 HydrophobicContact CE2-CG 3.57Å; F113-E1235 WeakPolarHBondContact CE2-OE2 3.4Å; F113-E1235 HydrophobicContact CZ-CG 3.67Å | ||
| 1236 | Q | 49.1 | Very low | 69.4 | Low | 39 Ų | 39 | 52 Ų | 52 | 18% | 0.182 | 25% | 0.252 | C | S | . | . | trans | -65.8 | 138.2 | 170.7 | -66.4 | -177.8 | 13.5 | 0 | 0 | 109.6 | E1234 E1240 R1241 | E1234-Q1236 HydrophobicContact CB-CG 4.01Å; E1234-Q1236 PolarHBondContact O-N 2.82Å; E1234-Q1236 PolarHBondContact OE2-NE2 2.82Å; Q1236-E1240 HydrophobicContact CB-CB 4.17Å; Q1236-R1241 HydrophobicContact CB-CG 3.93Å; Q1236-R1241 PolarHBondContact O-NE 2.98Å; Q1236-R1241 PolarHBondContact O-NH2 2.85Å | ||
| 1237 | S | 48 | Very low | 69.2 | Low | 56 Ų | 56 | 53.5 Ų | 53.5 | 39% | 0.392 | 26% | 0.261 | S | S | . | . | trans | -63.8 | 164.1 | 179.2 | 75.7 | 0 | 0 | 0 | 0 | 110.9 | E1239 E1240 | S1237-E1239 PolarHBondContact O-N 2.87Å; S1237-E1240 WeakPolarHBondContact CA-OE2 3.36Å; S1237-E1240 WeakPolarHBondContact CB-OE2 3.2Å; S1237-E1240 PolarHBondContact N-OE2 3.4Å; S1237-E1240 PolarHBondContact O-N 3.28Å; S1237-E1240 VanDerWaalsContact O-N 3.08Å; S1237-E1240 VanDerWaalsContact OG-CD 3.29Å; S1237-E1240 WeakPolarHBondContact OG-CG 3.32Å; S1237-E1240 PolarHBondContact OG-OE2 2.77Å | ||
| 1238 | K | 49.1 | Very low | 69.1 | Low | 162 Ų | 162 | 51.7 Ų | 51.7 | 70% | 0.704 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -12.8 | -178.1 | -77 | -167.4 | 173.2 | -172.5 | 0 | 114.3 | N110 | N110-K1238 PolarHBondContact OD1-NZ 2.97Š|
| 1239 | E | 49.1 | Very low | 69.2 | Low | 191 Ų | 191 | 51.7 Ų | 51.7 | 89% | 0.893 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | -15.4 | 179.9 | -61.6 | -179.5 | -179 | 0 | 0 | 112.7 | S1237 | S1237-E1239 PolarHBondContact O-N 2.87Š|
| 1240 | E | 48.8 | Very low | 69.6 | Low | 84 Ų | 84 | 51.8 Ų | 51.8 | 39% | 0.393 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -25.1 | -175.3 | -70.3 | 163.2 | 127.4 | 0 | 0 | 114.3 | Q1236 S1237 T1242 | Q1236-E1240 HydrophobicContact CB-CB 4.17Å; S1237-E1240 WeakPolarHBondContact CA-OE2 3.36Å; S1237-E1240 WeakPolarHBondContact CB-OE2 3.2Å; S1237-E1240 PolarHBondContact N-OE2 3.4Å; S1237-E1240 PolarHBondContact O-N 3.28Å; S1237-E1240 VanDerWaalsContact O-N 3.08Å; S1237-E1240 VanDerWaalsContact OG-CD 3.29Å; S1237-E1240 WeakPolarHBondContact OG-CG 3.32Å; S1237-E1240 PolarHBondContact OG-OE2 2.77Å; E1240-T1242 VanDerWaalsContact O-CG2 3.3Å; E1240-T1242 WeakPolarHBondContact O-CG2 3.29Å; E1240-T1242 PolarHBondContact O-N 2.87Å |
| 1241 | R | 57.6 | Low | 70 | Confident | 84 Ų | 84 | 51.8 Ų | 51.8 | 32% | 0.317 | 25% | 0.254 | S | S | . | . | trans | -54.3 | 110.8 | -166.8 | -73.8 | 174.6 | -172.9 | -144.1 | -8.9 | 113.8 | Q1236 G1243 W1267 | Q1236-R1241 HydrophobicContact CB-CG 3.93Å; Q1236-R1241 PolarHBondContact O-NE 2.98Å; Q1236-R1241 PolarHBondContact O-NH2 2.85Å; R1241-G1243 VanDerWaalsContact C-N 3.27Å; R1241-G1243 PolarHBondContact O-N 2.63Å; R1241-W1267 HydrophobicContact CB-CD2 4.06Å; R1241-W1267 HydrophobicContact CB-CE3 3.62Å; R1241-W1267 HydrophobicContact CB-CH2 4.2Å; R1241-W1267 HydrophobicContact CB-CZ3 3.69Å; R1241-W1267 HydrophobicContact CG-CD2 4.41Å; R1241-W1267 HydrophobicContact CG-CE3 4.44Å; R1241-W1267 VanDerWaalsContact NH1-NE1 3.12Å | ||
| 1242 | T | 60.7 | Low | 70.5 | Confident | 75 Ų | 75 | 52.7 Ų | 52.7 | 46% | 0.46 | 26% | 0.257 | S | S | . | . | trans | -85 | 48.9 | -171.2 | 53.1 | 0 | 0 | 0 | 0 | 113.9 | E1240 F1270 | E1240-T1242 VanDerWaalsContact O-CG2 3.3Å; E1240-T1242 WeakPolarHBondContact O-CG2 3.29Å; E1240-T1242 PolarHBondContact O-N 2.87Å; T1242-F1270 WeakPolarHBondContact O-CD2 3.12Å; T1242-F1270 WeakPolarHBondContact O-CE2 3.44Å | ||
| 1243 | G | 70.6 | Confident | 71.4 | Confident | 4 Ų | 4 | 51.7 Ų | 51.7 | 4% | 0.041 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.6 | -174.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | R1241 W1267 L1268 | R1241-G1243 VanDerWaalsContact C-N 3.27Å; R1241-G1243 PolarHBondContact O-N 2.63Å; G1243-W1267 WeakPolarHBondContact O-CZ3 3.36Å; G1243-L1268 CarbonylContact C-O 3.54Å; G1243-L1268 WeakPolarHBondContact CA-O 3.49Å |
| 1244 | L | 78.9 | Confident | 72.4 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 129.8 | 172.1 | -65.8 | -178.7 | 0 | 0 | 0 | 110.9 | F1158 I1162 I1163 L1171 L1173 F1200 C1246 L1268 F1270 | F1158-L1244 HydrophobicContact CD1-CB 3.46Å; F1158-L1244 VanDerWaalsContact CD1-CB 3.46Å; F1158-L1244 HydrophobicContact CD1-CD1 4.07Å; F1158-L1244 HydrophobicContact CD1-CG 4.43Å; F1158-L1244 HydrophobicContact CE1-CB 3.78Å; F1158-L1244 HydrophobicContact CE1-CD1 4.23Å; F1158-L1244 HydrophobicContact CG-CB 4.37Å; F1158-L1244 HydrophobicContact CG-CD1 4.39Å; I1162-L1244 HydrophobicContact CG2-CD2 4.22Å; I1163-L1244 HydrophobicContact CD1-CD2 4.18Å; I1163-L1244 HydrophobicContact CG1-CD2 3.97Å; L1171-L1244 HydrophobicContact CD2-CD1 3.78Å; L1171-L1244 HydrophobicContact CD2-CD2 4.31Å; L1171-L1244 HydrophobicContact CD2-CG 4.3Å; L1173-L1244 HydrophobicContact CD2-CD1 4.4Å; F1200-L1244 HydrophobicContact CE1-CD1 4.34Å; F1200-L1244 HydrophobicContact CE2-CD1 4.43Å; F1200-L1244 HydrophobicContact CZ-CD1 3.72Å; L1244-C1246 PolarHBondContact O-N 3.06Å; L1244-C1246 VanDerWaalsContact O-N 3.15Å; L1244-L1268 PolarHBondContact N-O 3.13Å; L1244-L1268 PolarHBondContact O-N 2.75Å; L1244-F1270 HydrophobicContact CG-CE1 4.39Å |
| 1245 | L | 84.7 | Confident | 73.7 | Confident | 26 Ų | 26 | 51.1 Ų | 51.1 | 14% | 0.136 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 104.7 | 170 | 175.3 | 51.6 | 0 | 0 | 0 | 110.4 | F1158 N1159 I1162 T1247 D1265 W1267 | F1158-L1245 WeakPolarHBondContact CA-O 3.46Å; N1159-L1245 PolarHBondContact N-O 2.83Å; N1159-L1245 VanDerWaalsContact N-O 3.14Å; I1162-L1245 HydrophobicContact CD1-CB 3.49Å; I1162-L1245 VanDerWaalsContact CD1-CB 3.49Å; L1245-T1247 HydrophobicContact CD2-CG2 4.43Å; L1245-T1247 HydrophobicContact CG-CG2 4.11Å; L1245-T1247 PolarHBondContact O-N 3.16Å; L1245-D1265 WeakPolarHBondContact CD1-O 3.33Å; L1245-W1267 HydrophobicContact CB-CD2 4.02Å; L1245-W1267 HydrophobicContact CB-CE3 4.39Å; L1245-W1267 HydrophobicContact CB-CH2 4.32Å; L1245-W1267 HydrophobicContact CB-CZ2 3.9Å; L1245-W1267 HydrophobicContact CD2-CZ2 4.16Å |
| 1246 | C | 88.1 | Confident | 75.4 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 107.6 | 166 | 179.1 | 0 | 0 | 0 | 0 | 108.7 | E1157 F1158 L1244 S1264 D1265 T1266 L1268 | E1157-C1246 CarbonylContact O-C 3.59Å; E1157-C1246 WeakPolarHBondContact O-CA 3.37Å; F1158-C1246 HydrophobicContact CD1-CB 3.9Å; F1158-C1246 HydrophobicContact CE1-CB 3.8Å; F1158-C1246 HydrophobicContact CZ-CB 4.48Å; L1244-C1246 PolarHBondContact O-N 3.06Å; L1244-C1246 VanDerWaalsContact O-N 3.15Å; C1246-S1264 VanDerWaalsContact O-CB 3.29Å; C1246-S1264 WeakPolarHBondContact O-CB 3.36Å; C1246-S1264 PolarHBondContact O-OG 3.42Å; C1246-D1265 CarbonylContact O-C 3.43Å; C1246-D1265 WeakPolarHBondContact O-CA 3.37Å; C1246-D1265 PolarHBondContact O-N 3.43Å; C1246-T1266 PolarHBondContact N-O 2.91Å; C1246-T1266 PolarHBondContact O-N 3.43Å; C1246-L1268 HydrophobicContact CB-CD1 4Å |
| 1247 | T | 88.7 | Confident | 77.2 | Confident | 33 Ų | 33 | 54.8 Ų | 54.8 | 20% | 0.202 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | -39 | 179.8 | 49.5 | 0 | 0 | 0 | 0 | 111.4 | E1157 L1245 S1264 D1265 | E1157-T1247 PolarHBondContact O-N 2.86Å; E1157-T1247 PolarHBondContact O-OG1 2.86Å; L1245-T1247 HydrophobicContact CD2-CG2 4.43Å; L1245-T1247 HydrophobicContact CG-CG2 4.11Å; L1245-T1247 PolarHBondContact O-N 3.16Å; T1247-S1264 PolarHBondContact O-N 3.02Å; T1247-D1265 PolarHBondContact O-N 2.97Å; T1247-D1265 VanDerWaalsContact O-N 3.09Å |
| 1248 | K | 90.8 | Very high | 79.3 | Confident | 33 Ų | 33 | 53.5 Ų | 53.5 | 14% | 0.143 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 145.5 | -167.9 | -164.4 | -176.1 | -167.5 | 179.7 | 0 | 111.9 | E1157 L1250 E1261 Y1292 | E1157-K1248 HydrophobicContact CB-CB 4.11Å; E1157-K1248 HydrophobicContact CG-CB 4.28Å; E1157-K1248 PolarHBondContact N-O 3.19Å; E1157-K1248 WeakPolarHBondContact OE2-CB 3.39Å; E1157-K1248 WeakPolarHBondContact OE2-CD 3.25Å; K1248-L1250 HydrophobicContact CD-CD2 4.19Å; K1248-L1250 HydrophobicContact CD-CG 4.28Å; K1248-E1261 WeakPolarHBondContact CE-OE1 3.31Å; K1248-E1261 WeakPolarHBondContact CE-OE2 3.28Å; K1248-E1261 IonicContact NZ-OE1 3.12Å; K1248-E1261 PolarHBondContact NZ-OE1 2.9Å; K1248-E1261 IonicContact NZ-OE2 2.94Å; K1248-E1261 PolarHBondContact NZ-OE2 2.98Å; K1248-Y1292 PolarHBondContact NZ-OH 3.26Å; K1248-Y1292 VanDerWaalsContact NZ-OH 3.13Å |
| 1249 | I | 94 | Very high | 81.4 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 132.9 | 165.6 | -36.8 | 173.7 | 0 | 0 | 0 | 108.7 | I1154 Q1155 L1156 I1177 L1228 I1251 I1262 L1281 | I1154-I1249 HydrophobicContact CG2-CG2 3.88Å; Q1155-I1249 CarbonylContact O-C 3.05Å; Q1155-I1249 WeakPolarHBondContact O-CA 3.41Å; L1156-I1249 HydrophobicContact CD1-CG2 4.09Å; L1156-I1249 HydrophobicContact CG-CG2 4.43Å; I1177-I1249 HydrophobicContact CD1-CD1 4.1Å; I1177-I1249 HydrophobicContact CD1-CG2 4.15Å; L1228-I1249 HydrophobicContact CB-CD1 4.48Å; L1228-I1249 HydrophobicContact CD1-CD1 4.32Å; L1228-I1249 HydrophobicContact CD2-CD1 4.13Å; I1249-I1251 HydrophobicContact CG2-CG1 4.28Å; I1249-I1262 HydrophobicContact CB-CB 4.18Å; I1249-I1262 HydrophobicContact CD1-CG2 4.32Å; I1249-I1262 PolarHBondContact N-O 3.23Å; I1249-I1262 PolarHBondContact O-N 3.16Å; I1249-L1281 HydrophobicContact CD1-CD1 3.91Å |
| 1250 | L | 94 | Very high | 83.5 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 133.5 | 171.1 | -65.9 | 172.6 | 0 | 0 | 0 | 109.1 | I1154 Q1155 K1248 W1252 I1259 E1261 Y1292 | I1154-L1250 WeakPolarHBondContact CA-O 3.32Å; Q1155-L1250 HydrophobicContact CB-CB 4.37Å; Q1155-L1250 PolarHBondContact N-O 3.12Å; Q1155-L1250 PolarHBondContact O-N 3.32Å; K1248-L1250 HydrophobicContact CD-CD2 4.19Å; K1248-L1250 HydrophobicContact CD-CG 4.28Å; L1250-W1252 HydrophobicContact CB-CE3 4.32Å; L1250-W1252 HydrophobicContact CB-CH2 3.45Å; L1250-W1252 VanDerWaalsContact CB-CH2 3.45Å; L1250-W1252 HydrophobicContact CB-CZ2 4.43Å; L1250-W1252 HydrophobicContact CB-CZ3 3.4Å; L1250-W1252 VanDerWaalsContact CB-CZ3 3.4Å; L1250-W1252 HydrophobicContact CD1-CH2 3.8Å; L1250-W1252 HydrophobicContact CD1-CZ2 4.46Å; L1250-W1252 HydrophobicContact CG-CH2 4.26Å; L1250-W1252 WeakPolarHBondContact O-CZ3 3.07Å; L1250-I1259 HydrophobicContact CB-CG2 4.16Å; L1250-I1259 HydrophobicContact CD2-CG2 3.96Å; L1250-E1261 HydrophobicContact CD2-CB 4.02Å; L1250-Y1292 HydrophobicContact CD1-CE1 3.94Å |
| 1251 | I | 93.8 | Very high | 85.7 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 116.2 | -178.5 | -56.1 | 159.8 | 0 | 0 | 0 | 109.2 | Y1152 R1153 I1154 L1179 V1223 I1249 I1259 Y1260 I1262 | Y1152-I1251 HydrophobicContact CD1-CG2 3.96Å; R1153-I1251 WeakPolarHBondContact O-CA 3.46Å; I1154-I1251 HydrophobicContact CG1-CG1 4.33Å; I1154-I1251 HydrophobicContact CG1-CG2 4.32Å; L1179-I1251 HydrophobicContact CD1-CG2 3.92Å; L1179-I1251 HydrophobicContact CD2-CD1 3.52Å; L1179-I1251 HydrophobicContact CD2-CG1 4.27Å; V1223-I1251 HydrophobicContact CG1-CD1 4.26Å; I1249-I1251 HydrophobicContact CG2-CG1 4.28Å; I1251-I1259 CarbonylContact O-C 3.47Å; I1251-I1259 WeakPolarHBondContact O-CA 3.3Å; I1251-Y1260 HydrophobicContact CB-CD2 4.45Å; I1251-Y1260 HydrophobicContact CG2-CD2 4.45Å; I1251-Y1260 PolarHBondContact N-O 3.23Å; I1251-Y1260 PolarHBondContact O-N 3.05Å; I1251-I1262 HydrophobicContact CD1-CD1 3.55Å; I1251-I1262 HydrophobicContact CD1-CG1 4.39Å |
| 1252 | W | 92.6 | Very high | 87.4 | Confident | 22 Ų | 22 | 30.2 Ų | 30.2 | 8% | 0.083 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 122.7 | 177.6 | -69.3 | -111.8 | 0 | 0 | 0 | 110.6 | Y1152 R1153 Q1155 L1250 I1259 | Y1152-W1252 WeakPolarHBondContact CD1-O 3.41Å; R1153-W1252 HydrophobicContact CB-CB 4.1Å; R1153-W1252 HydrophobicContact CB-CD2 4.29Å; R1153-W1252 HydrophobicContact CB-CE3 4.01Å; R1153-W1252 HydrophobicContact CB-CG 4.32Å; R1153-W1252 HydrophobicContact CG-CD2 4.39Å; R1153-W1252 HydrophobicContact CG-CE3 3.97Å; R1153-W1252 HydrophobicContact CG-CZ3 4.47Å; R1153-W1252 PolarHBondContact O-N 2.89Å; Q1155-W1252 HydrophobicContact CB-CH2 3.94Å; Q1155-W1252 HydrophobicContact CB-CZ3 3.73Å; Q1155-W1252 VanDerWaalsContact CD-CH2 3.44Å; Q1155-W1252 HydrophobicContact CG-CH2 3.75Å; Q1155-W1252 HydrophobicContact CG-CZ3 3.63Å; Q1155-W1252 VanDerWaalsContact OE1-CH2 3.26Å; L1250-W1252 HydrophobicContact CB-CE3 4.32Å; L1250-W1252 HydrophobicContact CB-CH2 3.45Å; L1250-W1252 VanDerWaalsContact CB-CH2 3.45Å; L1250-W1252 HydrophobicContact CB-CZ2 4.43Å; L1250-W1252 HydrophobicContact CB-CZ3 3.4Å; L1250-W1252 VanDerWaalsContact CB-CZ3 3.4Å; L1250-W1252 HydrophobicContact CD1-CH2 3.8Å; L1250-W1252 HydrophobicContact CD1-CZ2 4.46Å; L1250-W1252 HydrophobicContact CG-CH2 4.26Å; L1250-W1252 WeakPolarHBondContact O-CZ3 3.07Å; W1252-I1259 HydrophobicContact CD2-CG1 4.29Å; W1252-I1259 HydrophobicContact CD2-CG2 4.45Å; W1252-I1259 HydrophobicContact CG-CG1 4.01Å; W1252-I1259 HydrophobicContact CZ2-CD1 4.19Å; W1252-I1259 VanDerWaalsContact NE1-CD1 3.3Å |
| 1253 | D | 89 | Confident | 88.8 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 90.6 | 164.7 | 176 | -3.2 | 0 | 0 | 0 | 108.9 | Y1152 Y1219 K1255 K1256 E1257 V1258 Y1260 | Y1152-D1253 HydrophobicContact CE1-CB 4.12Å; Y1219-D1253 VanDerWaalsContact CE2-OD1 3.3Å; Y1219-D1253 WeakPolarHBondContact CE2-OD1 3.03Å; Y1219-D1253 WeakPolarHBondContact CE2-OD2 3.47Å; Y1219-D1253 PolarHBondContact OH-OD2 3.41Å; D1253-K1255 PolarHBondContact O-N 2.9Å; D1253-K1255 WeakPolarHBondContact OD1-CA 3.47Å; D1253-K1255 WeakPolarHBondContact OD1-CB 3.22Å; D1253-K1255 PolarHBondContact OD1-N 3.46Å; D1253-K1256 PolarHBondContact O-N 2.95Å; D1253-K1256 PolarHBondContact OD1-N 3.13Å; D1253-E1257 PolarHBondContact O-N 2.96Å; D1253-V1258 HydrophobicContact CB-CG2 4.22Å; D1253-V1258 PolarHBondContact N-O 3.29Å; D1253-V1258 PolarHBondContact O-N 3.05Å; D1253-Y1260 HydrophobicContact CB-CD2 4.36Å; D1253-Y1260 HydrophobicContact CB-CE2 3.52Å; D1253-Y1260 PolarHBondContact OD2-OH 2.68Å |
| 1254 | T | 85.6 | Confident | 89.6 | Confident | 85 Ų | 85 | 30.2 Ų | 30.2 | 52% | 0.521 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | 3.8 | 176.1 | 53.3 | 0 | 0 | 0 | 0 | 113.8 | I1289 | T1254-I1289 HydrophobicContact CG2-CD1 4.1Š|
| 1255 | K | 84.8 | Confident | 89.9 | Confident | 71 Ų | 71 | 33.7 Ų | 33.7 | 31% | 0.309 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -23 | 173.9 | -171.7 | 165 | -168.2 | 166.7 | 0 | 113.4 | N1146 C1148 L1150 Y1219 D1253 | N1146-K1255 PolarHBondContact O-NZ 3.43Å; N1146-K1255 PolarHBondContact OD1-NZ 3.15Å; C1148-K1255 PolarHBondContact SG-NZ 3.25Å; L1150-K1255 HydrophobicContact CD2-CB 4.28Å; Y1219-K1255 HydrophobicContact CD1-CD 3.98Å; Y1219-K1255 HydrophobicContact CD2-CB 4.29Å; Y1219-K1255 HydrophobicContact CD2-CD 4.09Å; Y1219-K1255 HydrophobicContact CE1-CD 4.1Å; Y1219-K1255 HydrophobicContact CE1-CG 4.46Å; Y1219-K1255 HydrophobicContact CE2-CB 3.87Å; Y1219-K1255 HydrophobicContact CE2-CD 4.25Å; Y1219-K1255 HydrophobicContact CE2-CG 4.35Å; Y1219-K1255 HydrophobicContact CG-CD 3.99Å; D1253-K1255 PolarHBondContact O-N 2.9Å; D1253-K1255 WeakPolarHBondContact OD1-CA 3.47Å; D1253-K1255 WeakPolarHBondContact OD1-CB 3.22Å; D1253-K1255 PolarHBondContact OD1-N 3.46Å |
| 1256 | K | 85.2 | Confident | 89.8 | Confident | 76 Ų | 76 | 33.1 Ų | 33.1 | 33% | 0.33 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | -4.7 | 166 | -92.5 | -179.1 | 168.5 | -175 | 0 | 113.9 | Y1219 E1222 D1253 V1258 | Y1219-K1256 WeakPolarHBondContact OH-CG 3.48Å; E1222-K1256 VanDerWaalsContact CB-NZ 3.31Å; E1222-K1256 IonicContact OE2-NZ 2.91Å; E1222-K1256 PolarHBondContact OE2-NZ 2.97Å; D1253-K1256 PolarHBondContact O-N 2.95Å; D1253-K1256 PolarHBondContact OD1-N 3.13Å; K1256-V1258 VanDerWaalsContact C-N 3.25Å; K1256-V1258 HydrophobicContact CB-CG2 3.78Å; K1256-V1258 PolarHBondContact O-N 3.03Å |
| 1257 | E | 88 | Confident | 89.6 | Confident | 147 Ų | 147 | 35 Ų | 35 | 69% | 0.687 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 34.3 | -175.9 | -59.7 | 176.3 | 153.6 | 0 | 0 | 112.9 | D1253 I1289 | D1253-E1257 PolarHBondContact O-N 2.96Å; E1257-I1289 PolarHBondContact O-N 3.07Å |
| 1258 | V | 91.5 | Very high | 89.3 | Confident | 29 Ų | 29 | 33.5 Ų | 33.5 | 18% | 0.176 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 157.2 | -179.7 | -62.1 | 0 | 0 | 0 | 0 | 113.6 | D1253 K1256 Y1260 I1286 H1287 | D1253-V1258 HydrophobicContact CB-CG2 4.22Å; D1253-V1258 PolarHBondContact N-O 3.29Å; D1253-V1258 PolarHBondContact O-N 3.05Å; K1256-V1258 VanDerWaalsContact C-N 3.25Å; K1256-V1258 HydrophobicContact CB-CG2 3.78Å; K1256-V1258 PolarHBondContact O-N 3.03Å; V1258-Y1260 HydrophobicContact CG2-CE1 4.08Å; V1258-Y1260 HydrophobicContact CG2-CE2 3.88Å; V1258-I1286 HydrophobicContact CB-CG2 3.81Å; V1258-I1286 HydrophobicContact CG1-CG2 4.01Å; V1258-I1286 HydrophobicContact CG2-CG2 4.17Å; V1258-H1287 CarbonylContact C-O 3.53Å; V1258-H1287 VanDerWaalsContact CA-O 3.22Å; V1258-H1287 WeakPolarHBondContact CA-O 3.09Å; V1258-H1287 WeakPolarHBondContact CB-O 3.15Å |
| 1259 | I | 92.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 119.5 | 170.7 | -56.6 | 167.9 | 0 | 0 | 0 | 107.4 | L1250 I1251 W1252 I1286 H1287 I1289 Y1292 | L1250-I1259 HydrophobicContact CB-CG2 4.16Å; L1250-I1259 HydrophobicContact CD2-CG2 3.96Å; I1251-I1259 CarbonylContact O-C 3.47Å; I1251-I1259 WeakPolarHBondContact O-CA 3.3Å; W1252-I1259 HydrophobicContact CD2-CG1 4.29Å; W1252-I1259 HydrophobicContact CD2-CG2 4.45Å; W1252-I1259 HydrophobicContact CG-CG1 4.01Å; W1252-I1259 HydrophobicContact CZ2-CD1 4.19Å; W1252-I1259 VanDerWaalsContact NE1-CD1 3.3Å; I1259-I1286 WeakPolarHBondContact O-CA 3.46Å; I1259-H1287 PolarHBondContact N-O 3.35Å; I1259-H1287 PolarHBondContact O-N 3.47Å; I1259-I1289 HydrophobicContact CD1-CG1 4.31Å; I1259-I1289 HydrophobicContact CG1-CG1 3.81Å; I1259-Y1292 HydrophobicContact CD1-CD2 3.46Å; I1259-Y1292 VanDerWaalsContact CD1-CD2 3.46Å; I1259-Y1292 HydrophobicContact CD1-CE2 4.23Å; I1259-Y1292 HydrophobicContact CD1-CG 3.83Å |
| 1260 | Y | 94.1 | Very high | 87.3 | Confident | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.008 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 122.6 | 171.5 | -51.7 | -86.2 | 0 | 0 | 0 | 108.8 | E1222 V1223 I1251 D1253 V1258 V1283 I1286 | E1222-Y1260 WeakPolarHBondContact CA-OH 3.37Å; E1222-Y1260 HydrophobicContact CG-CE1 4.06Å; V1223-Y1260 HydrophobicContact CB-CD1 4.17Å; V1223-Y1260 HydrophobicContact CB-CD2 3.72Å; V1223-Y1260 HydrophobicContact CB-CE1 4.22Å; V1223-Y1260 HydrophobicContact CB-CE2 3.73Å; V1223-Y1260 HydrophobicContact CB-CG 3.95Å; V1223-Y1260 HydrophobicContact CG2-CD2 3.9Å; V1223-Y1260 HydrophobicContact CG2-CE2 3.65Å; V1223-Y1260 PolarHBondContact N-OH 3.05Å; V1223-Y1260 WeakPolarHBondContact O-CD1 3.21Å; V1223-Y1260 WeakPolarHBondContact O-CE1 3.41Å; I1251-Y1260 HydrophobicContact CB-CD2 4.45Å; I1251-Y1260 HydrophobicContact CG2-CD2 4.45Å; I1251-Y1260 PolarHBondContact N-O 3.23Å; I1251-Y1260 PolarHBondContact O-N 3.05Å; D1253-Y1260 HydrophobicContact CB-CD2 4.36Å; D1253-Y1260 HydrophobicContact CB-CE2 3.52Å; D1253-Y1260 PolarHBondContact OD2-OH 2.68Å; V1258-Y1260 HydrophobicContact CG2-CE1 4.08Å; V1258-Y1260 HydrophobicContact CG2-CE2 3.88Å; Y1260-V1283 HydrophobicContact CD1-CG1 4.16Å; Y1260-V1283 HydrophobicContact CD1-CG2 4.32Å; Y1260-V1283 HydrophobicContact CG-CG2 4.45Å; Y1260-I1286 HydrophobicContact CD1-CD1 3.96Å; Y1260-I1286 HydrophobicContact CD1-CG1 3.94Å; Y1260-I1286 HydrophobicContact CD1-CG2 4.28Å; Y1260-I1286 HydrophobicContact CE1-CD1 4.03Å; Y1260-I1286 HydrophobicContact CE1-CG1 4.44Å; Y1260-I1286 HydrophobicContact CE1-CG2 4.37Å |
| 1261 | E | 94.5 | Very high | 85.6 | Confident | 30 Ų | 30 | 41.6 Ų | 41.6 | 14% | 0.14 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 118.9 | 176.7 | 155.7 | 164.3 | 175.7 | 0 | 0 | 109.5 | K1248 L1250 G1284 Q1285 H1287 | K1248-E1261 WeakPolarHBondContact CE-OE1 3.31Å; K1248-E1261 WeakPolarHBondContact CE-OE2 3.28Å; K1248-E1261 IonicContact NZ-OE1 3.12Å; K1248-E1261 PolarHBondContact NZ-OE1 2.9Å; K1248-E1261 IonicContact NZ-OE2 2.94Å; K1248-E1261 PolarHBondContact NZ-OE2 2.98Å; L1250-E1261 HydrophobicContact CD2-CB 4.02Å; E1261-G1284 PolarHBondContact O-N 3.24Å; E1261-Q1285 HydrophobicContact CB-CB 4.06Å; E1261-Q1285 HydrophobicContact CG-CB 4.06Å; E1261-Q1285 PolarHBondContact N-O 2.91Å; E1261-Q1285 PolarHBondContact O-N 3.32Å; E1261-Q1285 VanDerWaalsContact O-N 3.15Å; E1261-H1287 IonicContact OE2-CD2 2.75Å; E1261-H1287 IonicContact OE2-CE1 2.67Å; E1261-H1287 IonicContact OE2-NE2 3.33Å; E1261-H1287 PolarHBondContact OE2-NE2 2.98Å |
| 1262 | I | 93.7 | Very high | 83.8 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 111.5 | 178.8 | -61.5 | -177.9 | 0 | 0 | 0 | 107.7 | C1226 I1249 I1251 L1281 V1283 | C1226-I1262 HydrophobicContact CB-CD1 4.13Å; C1226-I1262 VanDerWaalsContact SG-CD1 3.55Å; I1249-I1262 HydrophobicContact CB-CB 4.18Å; I1249-I1262 HydrophobicContact CD1-CG2 4.32Å; I1249-I1262 PolarHBondContact N-O 3.23Å; I1249-I1262 PolarHBondContact O-N 3.16Å; I1251-I1262 HydrophobicContact CD1-CD1 3.55Å; I1251-I1262 HydrophobicContact CD1-CG1 4.39Å; I1262-L1281 HydrophobicContact CG2-CB 3.31Å; I1262-L1281 HydrophobicContact CG2-CD1 3.99Å; I1262-L1281 HydrophobicContact CG2-CG 4.27Å; I1262-V1283 HydrophobicContact CD1-CG2 4.08Å; I1262-V1283 HydrophobicContact CG1-CB 4.49Å; I1262-V1283 HydrophobicContact CG1-CG2 3.84Å |
| 1263 | P | 90.2 | Very high | 81.9 | Confident | 66 Ų | 66 | 50.5 Ų | 50.5 | 43% | 0.429 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 136.8 | 168.3 | 29.7 | -32.6 | 0 | 0 | 0 | 108.9 | ||
| 1264 | S | 86.3 | Confident | 79.8 | Confident | 12 Ų | 12 | 59.9 Ų | 59.9 | 8% | 0.084 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | -56.3 | -176.4 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | C1246 T1247 T1266 | C1246-S1264 VanDerWaalsContact O-CB 3.29Å; C1246-S1264 WeakPolarHBondContact O-CB 3.36Å; C1246-S1264 PolarHBondContact O-OG 3.42Å; T1247-S1264 PolarHBondContact O-N 3.02Å; S1264-T1266 PolarHBondContact O-N 3.24Å; S1264-T1266 PolarHBondContact O-OG1 2.97Å; S1264-T1266 PolarHBondContact OG-N 3.39Å; S1264-T1266 PolarHBondContact OG-OG1 3.06Å |
| 1265 | D | 85.8 | Confident | 78 | Confident | 74 Ų | 74 | 60.8 Ų | 60.8 | 40% | 0.396 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 40.2 | 31.7 | -171.5 | -72 | -35.7 | 0 | 0 | 0 | 114.5 | C108 L1245 C1246 T1247 | C108-D1265 WeakPolarHBondContact CB-OD2 3.44Å; C108-D1265 PolarHBondContact SG-OD2 3.11Å; L1245-D1265 WeakPolarHBondContact CD1-O 3.33Å; C1246-D1265 CarbonylContact O-C 3.43Å; C1246-D1265 WeakPolarHBondContact O-CA 3.37Å; C1246-D1265 PolarHBondContact O-N 3.43Å; T1247-D1265 PolarHBondContact O-N 2.97Å; T1247-D1265 VanDerWaalsContact O-N 3.09Å |
| 1266 | T | 82.6 | Confident | 76.8 | Confident | 14 Ų | 14 | 59 Ų | 59 | 9% | 0.086 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 144.7 | -173.4 | -41.4 | 0 | 0 | 0 | 0 | 111.3 | V1231 C1246 S1264 I1279 | V1231-T1266 HydrophobicContact CB-CG2 3.77Å; V1231-T1266 HydrophobicContact CG1-CG2 3.48Å; V1231-T1266 VanDerWaalsContact CG1-CG2 3.48Å; C1246-T1266 PolarHBondContact N-O 2.91Å; C1246-T1266 PolarHBondContact O-N 3.43Å; S1264-T1266 PolarHBondContact O-N 3.24Å; S1264-T1266 PolarHBondContact O-OG1 2.97Å; S1264-T1266 PolarHBondContact OG-N 3.39Å; S1264-T1266 PolarHBondContact OG-OG1 3.06Å; T1266-I1279 HydrophobicContact CG2-CD1 4.1Å; T1266-I1279 HydrophobicContact CG2-CG2 4.16Å |
| 1267 | W | 83.8 | Confident | 76 | Confident | 40 Ų | 40 | 59.8 Ų | 59.8 | 15% | 0.152 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 121.3 | 177 | -69.2 | 71.1 | 0 | 0 | 0 | 110 | I1162 V1231 D1232 R1241 G1243 L1245 | I1162-W1267 HydrophobicContact CD1-CH2 3.51Å; I1162-W1267 HydrophobicContact CD1-CZ2 4.15Å; I1162-W1267 HydrophobicContact CD1-CZ3 3.8Å; I1162-W1267 HydrophobicContact CG1-CH2 4.12Å; I1162-W1267 HydrophobicContact CG2-CZ3 4.37Å; V1231-W1267 WeakPolarHBondContact CA-O 3.49Å; D1232-W1267 HydrophobicContact CB-CB 4.09Å; D1232-W1267 PolarHBondContact N-O 3.21Å; R1241-W1267 HydrophobicContact CB-CD2 4.06Å; R1241-W1267 HydrophobicContact CB-CE3 3.62Å; R1241-W1267 HydrophobicContact CB-CH2 4.2Å; R1241-W1267 HydrophobicContact CB-CZ3 3.69Å; R1241-W1267 HydrophobicContact CG-CD2 4.41Å; R1241-W1267 HydrophobicContact CG-CE3 4.44Å; R1241-W1267 VanDerWaalsContact NH1-NE1 3.12Å; G1243-W1267 WeakPolarHBondContact O-CZ3 3.36Å; L1245-W1267 HydrophobicContact CB-CD2 4.02Å; L1245-W1267 HydrophobicContact CB-CE3 4.39Å; L1245-W1267 HydrophobicContact CB-CH2 4.32Å; L1245-W1267 HydrophobicContact CB-CZ2 3.9Å; L1245-W1267 HydrophobicContact CD2-CZ2 4.16Å |
| 1268 | L | 83.3 | Confident | 75.8 | Confident | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 125.7 | 175.6 | -82.3 | 169.5 | 0 | 0 | 0 | 110 | L1156 F1158 L1173 P1175 L1228 P1230 V1231 G1243 L1244 C1246 | L1156-L1268 HydrophobicContact CD2-CD1 3.84Å; F1158-L1268 HydrophobicContact CE1-CD1 3.72Å; F1158-L1268 HydrophobicContact CZ-CD1 3.91Å; L1173-L1268 HydrophobicContact CD1-CB 4.22Å; L1173-L1268 HydrophobicContact CD2-CB 4.48Å; P1175-L1268 HydrophobicContact CB-CD1 3.95Å; P1175-L1268 HydrophobicContact CB-CD2 4.34Å; L1228-L1268 HydrophobicContact CD1-CD1 4.4Å; L1228-L1268 HydrophobicContact CD1-CD2 4.37Å; L1228-L1268 HydrophobicContact CD2-CD1 4.18Å; L1228-L1268 HydrophobicContact CD2-CD2 4.16Å; L1228-L1268 HydrophobicContact CD2-CG 4.26Å; L1228-L1268 HydrophobicContact CG-CD2 4.02Å; P1230-L1268 WeakPolarHBondContact O-CA 3.15Å; P1230-L1268 WeakPolarHBondContact O-CD2 2.99Å; V1231-L1268 HydrophobicContact CG1-CD2 3.93Å; G1243-L1268 CarbonylContact C-O 3.54Å; G1243-L1268 WeakPolarHBondContact CA-O 3.49Å; L1244-L1268 PolarHBondContact N-O 3.13Å; L1244-L1268 PolarHBondContact O-N 2.75Å; C1246-L1268 HydrophobicContact CB-CD1 4Å |
| 1269 | L | 74.8 | Confident | 75.5 | Confident | 22 Ų | 22 | 56.2 Ų | 56.2 | 12% | 0.115 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 147.1 | 179.7 | -68.5 | 168.8 | 0 | 0 | 0 | 111.3 | L1173 P1230 D1232 | L1173-L1269 WeakPolarHBondContact CD1-O 3.48Å; P1230-L1269 HydrophobicContact CB-CB 4.43Å; P1230-L1269 HydrophobicContact CG-CB 4.25Å; P1230-L1269 PolarHBondContact O-N 3.49Å; D1232-L1269 HydrophobicContact CB-CD2 3.86Å; D1232-L1269 HydrophobicContact CB-CG 4.09Å |
| 1270 | F | 67.9 | Low | 75.4 | Confident | 41 Ų | 41 | 58.3 Ų | 58.3 | 18% | 0.18 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -62.2 | -50.1 | 176.4 | -70.7 | -57.2 | 0 | 0 | 0 | 112.9 | L1169 L1171 S1172 L1173 E1174 T1242 L1244 | L1169-F1270 HydrophobicContact CD2-CE2 4.2Å; L1169-F1270 HydrophobicContact CD2-CZ 4.07Å; L1171-F1270 HydrophobicContact CD2-CE1 4.23Å; L1171-F1270 HydrophobicContact CG-CE1 4.1Å; S1172-F1270 CarbonylContact O-C 3.55Å; S1172-F1270 WeakPolarHBondContact O-CA 3.44Å; S1172-F1270 WeakPolarHBondContact O-CB 3.06Å; S1172-F1270 WeakPolarHBondContact O-CD1 3.2Å; L1173-F1270 WeakPolarHBondContact CA-O 3.44Å; L1173-F1270 HydrophobicContact CB-CD1 4.37Å; L1173-F1270 HydrophobicContact CD1-CD1 3.77Å; L1173-F1270 HydrophobicContact CD1-CE1 4.14Å; E1174-F1270 PolarHBondContact N-O 3.15Å; T1242-F1270 WeakPolarHBondContact O-CD2 3.12Å; T1242-F1270 WeakPolarHBondContact O-CE2 3.44Å; L1244-F1270 HydrophobicContact CG-CE1 4.39Å |
| 1271 | Q | 58.1 | Low | 75.3 | Confident | 141 Ų | 141 | 59.1 Ų | 59.1 | 66% | 0.659 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -119.5 | 153.8 | -173.6 | -71.2 | -172.5 | -26.1 | 0 | 0 | 113.8 | N1273 | Q1271-N1273 PolarHBondContact O-N 3.1Š|
| 1272 | R | 56.4 | Low | 75.1 | Confident | 124 Ų | 124 | 64.2 Ų | 64.2 | 47% | 0.468 | 31% | 0.31 | S | S | . | . | trans | -83.7 | 101.8 | 176.5 | -145.1 | -176.7 | -169.4 | 163 | 7.7 | 110.6 | Y1176 T1276 | Y1176-R1272 VanDerWaalsContact CE1-NH2 3.31Å; R1272-T1276 HydrophobicContact CB-CG2 4.3Å; R1272-T1276 HydrophobicContact CG-CG2 3.6Å | ||
| 1273 | N | 52.4 | Low | 75 | Confident | 86 Ų | 86 | 65.8 Ų | 65.8 | 46% | 0.46 | 32% | 0.319 | S | S | . | . | trans | -90.4 | 164.9 | 172.2 | 51.4 | 7.4 | 0 | 0 | 0 | 111.8 | Q1271 Q1275 T1276 | Q1271-N1273 PolarHBondContact O-N 3.1Å; N1273-Q1275 PolarHBondContact O-N 3.31Å; N1273-T1276 WeakPolarHBondContact O-CG2 3.3Å; N1273-T1276 PolarHBondContact O-N 2.86Å; N1273-T1276 VanDerWaalsContact O-N 3.16Å; N1273-T1276 WeakPolarHBondContact OD1-CG2 3.47Å; N1273-T1276 PolarHBondContact OD1-N 3.48Å | ||
| 1274 | E | 43.4 | Very low | 74.8 | Confident | 197 Ų | 197 | 65 Ų | 65 | 92% | 0.921 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -13.2 | -176 | -63.2 | -168.5 | 149.2 | 0 | 0 | 114 | ||
| 1275 | Q | 49.4 | Very low | 74.9 | Confident | 104 Ų | 104 | 69.5 Ų | 69.5 | 49% | 0.486 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | 21.5 | 179 | -61.3 | -172.9 | -8.1 | 0 | 0 | 113.6 | N1273 H1277 | N1273-Q1275 PolarHBondContact O-N 3.31Å; Q1275-H1277 PolarHBondContact O-N 2.82Å |
| 1276 | T | 58.4 | Low | 75.1 | Confident | 34 Ų | 34 | 70 Ų | 70 | 21% | 0.209 | 35% | 0.345 | C | S | . | . | trans | -54.9 | 126.8 | -179.2 | 49.3 | 0 | 0 | 0 | 0 | 113.1 | P1230 R1272 N1273 | P1230-T1276 HydrophobicContact CB-CG2 3.36Å; P1230-T1276 HydrophobicContact CG-CG2 4.39Å; R1272-T1276 HydrophobicContact CB-CG2 4.3Å; R1272-T1276 HydrophobicContact CG-CG2 3.6Å; N1273-T1276 WeakPolarHBondContact O-CG2 3.3Å; N1273-T1276 PolarHBondContact O-N 2.86Å; N1273-T1276 VanDerWaalsContact O-N 3.16Å; N1273-T1276 WeakPolarHBondContact OD1-CG2 3.47Å; N1273-T1276 PolarHBondContact OD1-N 3.48Å | ||
| 1277 | H | 69.1 | Low | 75.4 | Confident | 91 Ų | 91 | 71 Ų | 71 | 42% | 0.421 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 162.3 | 174.5 | -64 | -47.4 | 0 | 0 | 0 | 113 | V1231 I1233 Q1275 | V1231-H1277 HydrophobicContact CG2-CB 4.17Å; V1231-H1277 WeakPolarHBondContact CG2-O 3.33Å; V1231-H1277 PolarHBondContact N-O 2.69Å; V1231-H1277 VanDerWaalsContact N-O 3.14Å; I1233-H1277 HydrophobicContact CD1-CB 3.41Å; I1233-H1277 VanDerWaalsContact CD1-CB 3.41Å; I1233-H1277 HydrophobicContact CG1-CB 3.89Å; Q1275-H1277 PolarHBondContact O-N 2.82Å |
| 1278 | E | 83.4 | Confident | 75.5 | Confident | 50 Ų | 50 | 72.2 Ų | 72.2 | 23% | 0.234 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 124.6 | 176.3 | -71.6 | 167.8 | -163.9 | 0 | 0 | 109.3 | Y1176 R1188 F1227 L1228 | Y1176-E1278 HydrophobicContact CE2-CG 3.78Å; Y1176-E1278 WeakPolarHBondContact CE2-OE1 3.19Å; Y1176-E1278 VanDerWaalsContact OH-CG 3.28Å; Y1176-E1278 WeakPolarHBondContact OH-CG 3.44Å; Y1176-E1278 PolarHBondContact OH-OE1 3.19Å; R1188-E1278 IonicContact CZ-OE1 3.91Å; R1188-E1278 IonicContact CZ-OE2 3.34Å; R1188-E1278 IonicContact NE-OE1 2.7Å; R1188-E1278 PolarHBondContact NE-OE1 3.08Å; R1188-E1278 IonicContact NE-OE2 2.85Å; R1188-E1278 PolarHBondContact NE-OE2 2.57Å; R1188-E1278 IonicContact NH2-OE1 2.69Å; R1188-E1278 PolarHBondContact NH2-OE1 3.01Å; R1188-E1278 IonicContact NH2-OE2 3.91Å; R1188-E1278 PolarHBondContact NH2-OE2 3.08Å; F1227-E1278 HydrophobicContact CD1-CB 4.34Å; L1228-E1278 CarbonylContact O-C 3.54Å; L1228-E1278 VanDerWaalsContact O-CA 3.3Å; L1228-E1278 WeakPolarHBondContact O-CA 3.33Å |
| 1279 | I | 85.9 | Confident | 75.4 | Confident | 52 Ų | 52 | 73.4 Ų | 73.4 | 27% | 0.267 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 148.8 | 167.4 | -164.8 | 160.5 | 0 | 0 | 0 | 109.3 | F1227 L1228 V1231 T1266 L1281 | F1227-I1279 CarbonylContact C-O 3.56Å; F1227-I1279 VanDerWaalsContact CA-O 3.22Å; F1227-I1279 WeakPolarHBondContact CA-O 3.27Å; L1228-I1279 HydrophobicContact CB-CG2 3.97Å; L1228-I1279 PolarHBondContact N-O 3.01Å; L1228-I1279 PolarHBondContact O-N 3.47Å; V1231-I1279 HydrophobicContact CG1-CG2 3.92Å; V1231-I1279 HydrophobicContact CG2-CB 4.13Å; V1231-I1279 HydrophobicContact CG2-CG2 4.41Å; T1266-I1279 HydrophobicContact CG2-CD1 4.1Å; T1266-I1279 HydrophobicContact CG2-CG2 4.16Å; I1279-L1281 HydrophobicContact CD1-CD2 3.84Å; I1279-L1281 HydrophobicContact CG1-CD2 3.83Å; I1279-L1281 HydrophobicContact CG1-CG 4.32Å; I1279-L1281 HydrophobicContact CG2-CD1 4.03Å; I1279-L1281 HydrophobicContact CG2-CD2 4.12Å; I1279-L1281 HydrophobicContact CG2-CG 3.92Å |
| 1280 | H | 91 | Very high | 75.3 | Confident | 44 Ų | 44 | 79.7 Ų | 79.7 | 20% | 0.204 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 124.5 | 172.1 | 175.7 | -129.1 | 0 | 0 | 0 | 107.4 | R150 S1225 C1226 F1227 E1282 | R150-H1280 VanDerWaalsContact NH2-CG 3.25Å; R150-H1280 PolarHBondContact NH2-ND1 3.4Å; S1225-H1280 WeakPolarHBondContact CB-NE2 3.36Å; S1225-H1280 PolarHBondContact OG-NE2 3.14Å; C1226-H1280 WeakPolarHBondContact O-CA 3.02Å; C1226-H1280 PolarHBondContact O-CD2 3.45Å; F1227-H1280 HydrophobicContact CD1-CB 3.81Å; F1227-H1280 HydrophobicContact CE1-CB 3.7Å; F1227-H1280 HydrophobicContact CZ-CB 4.46Å; H1280-E1282 IonicContact CE1-OE1 2.72Å |
| 1281 | L | 91.3 | Very high | 75.4 | Confident | 18 Ų | 18 | 81.1 Ų | 81.1 | 9% | 0.094 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 129 | -173.3 | -56.5 | 169 | 0 | 0 | 0 | 108.4 | S1225 C1226 L1228 I1249 I1262 I1279 | S1225-L1281 CarbonylContact C-O 3.54Å; S1225-L1281 WeakPolarHBondContact CA-O 3.41Å; S1225-L1281 WeakPolarHBondContact CB-O 3.35Å; C1226-L1281 PolarHBondContact N-O 2.87Å; C1226-L1281 PolarHBondContact O-N 2.7Å; L1228-L1281 HydrophobicContact CB-CD1 4.32Å; L1228-L1281 HydrophobicContact CD2-CD1 4.35Å; I1249-L1281 HydrophobicContact CD1-CD1 3.91Å; I1262-L1281 HydrophobicContact CG2-CB 3.31Å; I1262-L1281 HydrophobicContact CG2-CD1 3.99Å; I1262-L1281 HydrophobicContact CG2-CG 4.27Å; I1279-L1281 HydrophobicContact CD1-CD2 3.84Å; I1279-L1281 HydrophobicContact CG1-CD2 3.83Å; I1279-L1281 HydrophobicContact CG1-CG 4.32Å; I1279-L1281 HydrophobicContact CG2-CD1 4.03Å; I1279-L1281 HydrophobicContact CG2-CD2 4.12Å; I1279-L1281 HydrophobicContact CG2-CG 3.92Å |
| 1282 | E | 90.7 | Very high | 75.6 | Confident | 138 Ų | 138 | 76.1 Ų | 76.1 | 65% | 0.645 | 38% | 0.384 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 155.1 | 177.7 | -58.1 | -163.6 | 155.6 | 0 | 0 | 111 | H1280 G1284 | H1280-E1282 IonicContact CE1-OE1 2.72Å; E1282-G1284 PolarHBondContact O-N 3.34Å |
| 1283 | V | 91 | Very high | 75.4 | Confident | 32 Ų | 32 | 75.5 Ų | 75.5 | 19% | 0.194 | 39% | 0.387 | C | S | . | . | trans | -68.1 | 116 | 176.7 | 174.4 | 0 | 0 | 0 | 0 | 109.9 | V1223 T1224 Y1260 I1262 Q1285 I1286 | V1223-V1283 HydrophobicContact CG1-CG2 4.48Å; T1224-V1283 PolarHBondContact O-N 2.91Å; T1224-V1283 VanDerWaalsContact O-N 3.09Å; Y1260-V1283 HydrophobicContact CD1-CG1 4.16Å; Y1260-V1283 HydrophobicContact CD1-CG2 4.32Å; Y1260-V1283 HydrophobicContact CG-CG2 4.45Å; I1262-V1283 HydrophobicContact CD1-CG2 4.08Å; I1262-V1283 HydrophobicContact CG1-CB 4.49Å; I1262-V1283 HydrophobicContact CG1-CG2 3.84Å; V1283-Q1285 WeakPolarHBondContact CG1-O 3.35Å; V1283-I1286 HydrophobicContact CG1-CD1 4.32Å; V1283-I1286 HydrophobicContact CG1-CG1 3.7Å | ||
| 1284 | G | 86.7 | Confident | 75 | Confident | 51 Ų | 51 | 79.5 Ų | 79.5 | 53% | 0.526 | 40% | 0.403 | S | S | . | . | trans | -84.3 | -36.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | E1261 E1282 | E1261-G1284 PolarHBondContact O-N 3.24Å; E1282-G1284 PolarHBondContact O-N 3.34Å | ||
| 1285 | Q | 88.6 | Confident | 75.1 | Confident | 105 Ų | 105 | 73.9 Ų | 73.9 | 49% | 0.491 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 156.3 | 177.3 | -58 | -173.7 | 28.6 | 0 | 0 | 111.4 | E1261 V1283 H1287 | E1261-Q1285 HydrophobicContact CB-CB 4.06Å; E1261-Q1285 HydrophobicContact CG-CB 4.06Å; E1261-Q1285 PolarHBondContact N-O 2.91Å; E1261-Q1285 PolarHBondContact O-N 3.32Å; E1261-Q1285 VanDerWaalsContact O-N 3.15Å; V1283-Q1285 WeakPolarHBondContact CG1-O 3.35Å; Q1285-H1287 PolarHBondContact OE1-CE1 3.35Å |
| 1286 | I | 90.1 | Very high | 74.7 | Confident | 86 Ų | 86 | 71.3 Ų | 71.3 | 44% | 0.441 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 121.8 | 174.9 | -53.8 | 179.8 | 0 | 0 | 0 | 107.3 | V1258 I1259 Y1260 V1283 | V1258-I1286 HydrophobicContact CB-CG2 3.81Å; V1258-I1286 HydrophobicContact CG1-CG2 4.01Å; V1258-I1286 HydrophobicContact CG2-CG2 4.17Å; I1259-I1286 WeakPolarHBondContact O-CA 3.46Å; Y1260-I1286 HydrophobicContact CD1-CD1 3.96Å; Y1260-I1286 HydrophobicContact CD1-CG1 3.94Å; Y1260-I1286 HydrophobicContact CD1-CG2 4.28Å; Y1260-I1286 HydrophobicContact CE1-CD1 4.03Å; Y1260-I1286 HydrophobicContact CE1-CG1 4.44Å; Y1260-I1286 HydrophobicContact CE1-CG2 4.37Å; V1283-I1286 HydrophobicContact CG1-CD1 4.32Å; V1283-I1286 HydrophobicContact CG1-CG1 3.7Å |
| 1287 | H | 88.7 | Confident | 73.5 | Confident | 33 Ų | 33 | 73.9 Ų | 73.9 | 15% | 0.153 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 146.8 | -178.1 | -54.3 | -73.8 | 0 | 0 | 0 | 110.6 | V1258 I1259 E1261 Q1285 T1291 Y1292 | V1258-H1287 CarbonylContact C-O 3.53Å; V1258-H1287 VanDerWaalsContact CA-O 3.22Å; V1258-H1287 WeakPolarHBondContact CA-O 3.09Å; V1258-H1287 WeakPolarHBondContact CB-O 3.15Å; I1259-H1287 PolarHBondContact N-O 3.35Å; I1259-H1287 PolarHBondContact O-N 3.47Å; E1261-H1287 IonicContact OE2-CD2 2.75Å; E1261-H1287 IonicContact OE2-CE1 2.67Å; E1261-H1287 IonicContact OE2-NE2 3.33Å; E1261-H1287 PolarHBondContact OE2-NE2 2.98Å; Q1285-H1287 PolarHBondContact OE1-CE1 3.35Å; H1287-T1291 HydrophobicContact CB-CG2 4.48Å; H1287-Y1292 HydrophobicContact CB-CE2 4.3Å; H1287-Y1292 AromaticContact CD2-CE2 3.91Å |
| 1288 | P | 85 | Confident | 71.9 | Confident | 66 Ų | 66 | 75.6 Ų | 75.6 | 43% | 0.429 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 146.4 | 162.5 | -20.9 | 32.8 | 0 | 0 | 0 | 111.2 | E1290 T1291 | P1288-E1290 PolarHBondContact O-N 2.73Å; P1288-T1291 VanDerWaalsContact O-CB 3.27Å; P1288-T1291 WeakPolarHBondContact O-CB 3.08Å; P1288-T1291 PolarHBondContact O-N 3.1Å; P1288-T1291 VanDerWaalsContact O-N 3.08Å; P1288-T1291 PolarHBondContact O-OG1 2.83Å |
| 1289 | I | 81.7 | Confident | 69.6 | Low | 27 Ų | 27 | 75.6 Ų | 75.6 | 14% | 0.138 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -39 | 178.3 | -77.6 | 175.7 | 0 | 0 | 0 | 111.8 | T1254 E1257 I1259 T1291 Y1292 E1293 | T1254-I1289 HydrophobicContact CG2-CD1 4.1Å; E1257-I1289 PolarHBondContact O-N 3.07Å; I1259-I1289 HydrophobicContact CD1-CG1 4.31Å; I1259-I1289 HydrophobicContact CG1-CG1 3.81Å; I1289-T1291 PolarHBondContact O-N 2.81Å; I1289-Y1292 PolarHBondContact O-N 2.68Å; I1289-E1293 HydrophobicContact CG2-CG 4.17Å |
| 1290 | E | 72.5 | Confident | 67 | Low | 153 Ų | 153 | 80.4 Ų | 80.4 | 72% | 0.715 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -45.3 | -34 | 175.9 | -58.7 | 179.7 | 157 | 0 | 0 | 113.1 | P1288 Y1292 E1293 | P1288-E1290 PolarHBondContact O-N 2.73Å; E1290-Y1292 PolarHBondContact O-N 2.91Å; E1290-Y1292 VanDerWaalsContact O-N 3.12Å; E1290-E1293 PolarHBondContact O-N 3.16Å |
| 1291 | T | 70.4 | Confident | 64.2 | Low | 72 Ų | 72 | 85.3 Ų | 85.3 | 44% | 0.442 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -62.1 | -22.4 | -176.5 | -50.9 | 0 | 0 | 0 | 0 | 113.3 | H1287 P1288 I1289 | H1287-T1291 HydrophobicContact CB-CG2 4.48Å; P1288-T1291 VanDerWaalsContact O-CB 3.27Å; P1288-T1291 WeakPolarHBondContact O-CB 3.08Å; P1288-T1291 PolarHBondContact O-N 3.1Å; P1288-T1291 VanDerWaalsContact O-N 3.08Å; P1288-T1291 PolarHBondContact O-OG1 2.83Å; I1289-T1291 PolarHBondContact O-N 2.81Å |
| 1292 | Y | 62.6 | Low | 61.3 | Low | 35 Ų | 35 | 88.6 Ų | 88.6 | 14% | 0.137 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -113.3 | -1.7 | -179.3 | -75.3 | -100.5 | 0 | 0 | 0 | 113.5 | K1248 L1250 I1259 H1287 I1289 E1290 E1295 S1296 | K1248-Y1292 PolarHBondContact NZ-OH 3.26Å; K1248-Y1292 VanDerWaalsContact NZ-OH 3.13Å; L1250-Y1292 HydrophobicContact CD1-CE1 3.94Å; I1259-Y1292 HydrophobicContact CD1-CD2 3.46Å; I1259-Y1292 VanDerWaalsContact CD1-CD2 3.46Å; I1259-Y1292 HydrophobicContact CD1-CE2 4.23Å; I1259-Y1292 HydrophobicContact CD1-CG 3.83Å; H1287-Y1292 HydrophobicContact CB-CE2 4.3Å; H1287-Y1292 AromaticContact CD2-CE2 3.91Å; I1289-Y1292 PolarHBondContact O-N 2.68Å; E1290-Y1292 PolarHBondContact O-N 2.91Å; E1290-Y1292 VanDerWaalsContact O-N 3.12Å; Y1292-E1295 PolarHBondContact O-N 3.48Å; Y1292-S1296 WeakPolarHBondContact O-CB 3.5Å; Y1292-S1296 PolarHBondContact O-N 2.79Å; Y1292-S1296 VanDerWaalsContact O-N 3.11Å; Y1292-S1296 PolarHBondContact O-OG 3.22Å |
| 1293 | E | 50.9 | Low | 58.4 | Low | 112 Ų | 112 | 89.3 Ų | 89.3 | 52% | 0.523 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -74.6 | -28.5 | 177.3 | -63 | -158.2 | 147.2 | 0 | 0 | 112.5 | I1289 E1290 S1296 N1297 | I1289-E1293 HydrophobicContact CG2-CG 4.17Å; E1290-E1293 PolarHBondContact O-N 3.16Å; E1293-S1296 PolarHBondContact O-OG 2.93Å; E1293-N1297 PolarHBondContact O-ND2 2.81Å |
| 1294 | E | 44.1 | Very low | 55.3 | Low | 169 Ų | 169 | 96.2 Ų | 96.2 | 79% | 0.79 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -69.4 | -39.8 | 170.8 | -63.2 | -163.6 | 148.1 | 0 | 0 | 112.1 | N1297 | E1294-N1297 WeakPolarHBondContact O-CB 3.44Å |
| 1295 | E | 46.7 | Very low | 52.5 | Low | 79 Ų | 79 | 102.6 Ų | 102.6 | 37% | 0.369 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -76 | -41.8 | -176.1 | -55.2 | -154.9 | 126.8 | 0 | 0 | 113.3 | R1206 Y1292 N1297 E1298 | R1206-E1295 IonicContact CZ-OE1 2.72Å; R1206-E1295 IonicContact CZ-OE2 3.47Å; R1206-E1295 VanDerWaalsContact CZ-OE2 3.24Å; R1206-E1295 IonicContact NH1-OE1 3.87Å; R1206-E1295 IonicContact NH1-OE2 2.93Å; R1206-E1295 PolarHBondContact NH1-OE2 2.77Å; R1206-E1295 IonicContact NH2-OE1 3.88Å; R1206-E1295 PolarHBondContact NH2-OE1 2.57Å; R1206-E1295 IonicContact NH2-OE2 3.51Å; R1206-E1295 PolarHBondContact NH2-OE2 2.6Å; Y1292-E1295 PolarHBondContact O-N 3.48Å; E1295-N1297 PolarHBondContact O-N 3.32Å; E1295-E1298 PolarHBondContact O-N 2.89Å |
| 1296 | S | 39.9 | Very low | 49.6 | Very low | 50 Ų | 50 | 103.1 Ų | 103.1 | 35% | 0.35 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63 | -26.8 | 177.9 | 50.1 | 0 | 0 | 0 | 0 | 112.3 | Y1292 E1293 E1298 V1299 F1300 | Y1292-S1296 WeakPolarHBondContact O-CB 3.5Å; Y1292-S1296 PolarHBondContact O-N 2.79Å; Y1292-S1296 VanDerWaalsContact O-N 3.11Å; Y1292-S1296 PolarHBondContact O-OG 3.22Å; E1293-S1296 PolarHBondContact O-OG 2.93Å; S1296-E1298 PolarHBondContact O-N 3.14Å; S1296-V1299 PolarHBondContact O-N 3.11Å; S1296-F1300 PolarHBondContact O-N 3.23Å |
| 1297 | N | 34.1 | Very low | 46.5 | Very low | 89 Ų | 89 | 105.5 Ų | 105.5 | 48% | 0.476 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.3 | -9.9 | 173.1 | -99.9 | -75.4 | 0 | 0 | 0 | 115.2 | E1293 E1294 E1295 K1301 | E1293-N1297 PolarHBondContact O-ND2 2.81Å; E1294-N1297 WeakPolarHBondContact O-CB 3.44Å; E1295-N1297 PolarHBondContact O-N 3.32Å; N1297-K1301 VanDerWaalsContact O-CD 3.24Å; N1297-K1301 WeakPolarHBondContact O-CD 3.42Å; N1297-K1301 VanDerWaalsContact O-CE 3.32Å; N1297-K1301 WeakPolarHBondContact O-CE 3.49Å; N1297-K1301 PolarHBondContact O-NZ 2.98Å; N1297-K1301 PolarHBondContact OD1-NZ 2.98Å |
| 1298 | E | 33.9 | Very low | 43.8 | Very low | 126 Ų | 126 | 110.5 Ų | 110.5 | 59% | 0.589 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -92.7 | -25.7 | 168.9 | -79.1 | -148.3 | 155.5 | 0 | 0 | 113.7 | K1205 E1295 S1296 | K1205-E1298 IonicContact NZ-OE2 2.78Å; K1205-E1298 PolarHBondContact NZ-OE2 2.87Å; E1295-E1298 PolarHBondContact O-N 2.89Å; S1296-E1298 PolarHBondContact O-N 3.14Å |
| 1299 | V | 36.2 | Very low | 41.1 | Very low | 51 Ų | 51 | 113.9 Ų | 113.9 | 31% | 0.309 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -82.7 | -34.1 | -173.2 | -177.5 | 0 | 0 | 0 | 0 | 111.7 | I1201 S1296 K1301 | I1201-V1299 HydrophobicContact CG2-CG1 4.27Å; S1296-V1299 PolarHBondContact O-N 3.11Å; V1299-K1301 VanDerWaalsContact C-N 3.31Å; V1299-K1301 PolarHBondContact O-N 2.79Å |
| 1300 | F | 31.5 | Very low | 38.8 | Very low | 152 Ų | 152 | 120.2 Ų | 120.2 | 67% | 0.667 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | 25.1 | -179.9 | -73 | -82.7 | 0 | 0 | 0 | 114.5 | S1296 | S1296-F1300 PolarHBondContact O-N 3.23Š|
| 1301 | K | 31.4 | Very low | 36.7 | Very low | 148 Ų | 148 | 119.2 Ų | 119.2 | 64% | 0.643 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.3 | 9.1 | -178.6 | -73.5 | -172.1 | -177.3 | 125.9 | 0 | 115.2 | N1297 V1299 | N1297-K1301 VanDerWaalsContact O-CD 3.24Å; N1297-K1301 WeakPolarHBondContact O-CD 3.42Å; N1297-K1301 VanDerWaalsContact O-CE 3.32Å; N1297-K1301 WeakPolarHBondContact O-CE 3.49Å; N1297-K1301 PolarHBondContact O-NZ 2.98Å; N1297-K1301 PolarHBondContact OD1-NZ 2.98Å; V1299-K1301 VanDerWaalsContact C-N 3.31Å; V1299-K1301 PolarHBondContact O-N 2.79Å |
| 1302 | S | 30.4 | Very low | 34.9 | Very low | 86 Ų | 86 | 123.3 Ų | 123.3 | 60% | 0.601 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -93 | -19.8 | -177.3 | 50.1 | 0 | 0 | 0 | 0 | 115.6 | ||
| 1303 | D | 29.5 | Very low | 33.4 | Very low | 153 Ų | 153 | 128.7 Ų | 128.7 | 82% | 0.818 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -105.4 | 15.1 | -159.9 | -67.9 | 19.7 | 0 | 0 | 0 | 114 | ||
| 1304 | E | 27.3 | Very low | 32.5 | Very low | 177 Ų | 177 | 129.9 Ų | 129.9 | 83% | 0.827 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -107.8 | 131.5 | 165.6 | -69.9 | -163.5 | 141.4 | 0 | 0 | 111.1 | ||
| 1305 | M | 26.4 | Very low | 31.8 | Very low | 185 Ų | 185 | 127.9 Ų | 127.9 | 91% | 0.911 | 67% | 0.673 | S | S | * | * | trans | 64.1 | 112.7 | -178.1 | -51.6 | -176.7 | -40.3 | 0 | 0 | 114.1 | ||||
| 1306 | S | 28.4 | Very low | 31 | Very low | 117 Ų | 117 | 132 Ų | 132 | 82% | 0.818 | 69% | 0.69 | S | S | * | * | -158.2 | 145.3 | 50.7 | 53.3 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1307 | T | 24.8 | Very low | 30.6 | Very low | 135 Ų | 135 | 136 Ų | 136 | 83% | 0.828 | 71% | 0.707 | S | S | * | * | trans | -81.8 | 146.5 | 159.6 | 45 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1308 | V | 31.7 | Very low | 30.5 | Very low | 139 Ų | 139 | 138.5 Ų | 138.5 | 84% | 0.842 | 72% | 0.719 | S | S | * | * | trans | -176.3 | 143.7 | 140.8 | 139.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1309 | D | 28.2 | Very low | 30.2 | Very low | 137 Ų | 137 | 137 Ų | 137 | 73% | 0.733 | 72% | 0.723 | S | S | * | * | trans | -65.2 | 153.6 | 178.1 | -50.1 | -106.4 | 0 | 0 | 0 | 113.5 | ||||
| 1310 | D | 34.5 | Very low | 30 | Very low | 160 Ų | 160 | 142.8 Ų | 142.8 | 86% | 0.856 | 75% | 0.746 | S | S | * | * | -156.1 | 161.8 | 110.8 | -133.2 | -32.6 | 0 | 0 | 0 | 113.3 | |||||
| 1311 | Q | 27.6 | Very low | 30 | Very low | 132 Ų | 132 | 142.8 Ų | 142.8 | 62% | 0.617 | 75% | 0.753 | S | S | * | * | trans | -100.1 | 153.8 | -170.9 | -53.5 | 179.7 | 10.4 | 0 | 0 | 112.8 | ||||
| 1312 | H | 33.5 | Very low | 30 | Very low | 158 Ų | 158 | 141.8 Ų | 141.8 | 73% | 0.731 | 76% | 0.759 | S | S | * | * | -176.2 | 112.6 | 114.1 | -111.3 | -102.9 | 0 | 0 | 0 | 117.3 | |||||
| 1313 | K | 29.8 | Very low | 30 | Very low | 148 Ų | 148 | 146.2 Ų | 146.2 | 64% | 0.643 | 77% | 0.77 | S | S | * | * | trans | 4.5 | 127 | 144.9 | -59.3 | 153.3 | -176.3 | 146.1 | 0 | 120.5 | ||||
| 1314 | V | 31.8 | Very low | 30.2 | Very low | 137 Ų | 137 | 148.8 Ų | 148.8 | 83% | 0.83 | 77% | 0.77 | S | S | * | * | -153.6 | 102.5 | 118.8 | 172.8 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 1315 | N | 29.9 | Very low | 30.8 | Very low | 126 Ų | 126 | 145.2 Ų | 145.2 | 67% | 0.674 | 76% | 0.756 | S | S | * | * | 58.3 | 132.9 | 93.4 | -83.8 | -27.3 | 0 | 0 | 0 | 115.5 | |||||
| 1316 | K | 29.7 | Very low | 31.7 | Very low | 166 Ų | 166 | 141.6 Ų | 141.6 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | cis | -174 | 170.6 | -5.9 | -142.2 | -179.5 | -174.7 | -172.5 | 0 | 111.1 | ||||
| 1317 | N | 31.9 | Very low | 32.6 | Very low | 134 Ų | 134 | 143.2 Ų | 143.2 | 72% | 0.717 | 74% | 0.74 | S | S | * | * | trans | 74.1 | 135.3 | 163.9 | -52.7 | -15.7 | 0 | 0 | 0 | 114.7 | ||||
| 1318 | I | 31.9 | Very low | 33.6 | Very low | 142 Ų | 142 | 140.9 Ų | 140.9 | 73% | 0.728 | 72% | 0.722 | S | S | * | * | cis | -147.9 | 117.9 | 5.7 | -100.4 | 145.2 | 0 | 0 | 0 | 104.9 | ||||
| 1319 | S | 28.8 | Very low | 34.3 | Very low | 94 Ų | 94 | 140.7 Ų | 140.7 | 66% | 0.657 | 71% | 0.712 | S | S | * | * | 46.3 | 139.2 | 99.3 | 68.4 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 1320 | E | 31.7 | Very low | 35.6 | Very low | 172 Ų | 172 | 139.8 Ų | 139.8 | 80% | 0.804 | 71% | 0.706 | S | S | * | * | cis | -141.5 | 149.4 | 32.3 | -67.4 | 166.8 | 156.1 | 0 | 0 | 114.2 | ||||
| 1321 | D | 30.6 | Very low | 37 | Very low | 153 Ų | 153 | 135.9 Ų | 135.9 | 82% | 0.818 | 69% | 0.686 | S | S | * | * | trans | 36.4 | 115.9 | 147.5 | -54 | -5.3 | 0 | 0 | 0 | 123 | ||||
| 1322 | V | 32.2 | Very low | 38.6 | Very low | 127 Ų | 127 | 135.1 Ų | 135.1 | 77% | 0.77 | 69% | 0.685 | S | S | * | * | -152.5 | 135 | 105 | 172.8 | 0 | 0 | 0 | 0 | 109.1 | Y1324 | V1322-Y1324 HydrophobicContact CG1-CD2 3.89Å; V1322-Y1324 HydrophobicContact CG1-CE2 3.8Å | |||
| 1323 | H | 30.9 | Very low | 39.9 | Very low | 178 Ų | 178 | 132.8 Ų | 132.8 | 82% | 0.824 | 68% | 0.677 | S | S | * | * | trans | -88.3 | 136.4 | 171.5 | -107.9 | -82.9 | 0 | 0 | 0 | 111.8 | ||||
| 1324 | Y | 33.6 | Very low | 41.8 | Very low | 208 Ų | 208 | 134.2 Ų | 134.2 | 82% | 0.816 | 68% | 0.678 | S | S | * | * | trans | -134.9 | 155.3 | 155.5 | -87.1 | -82 | 0 | 0 | 0 | 109.8 | V1322 | V1322-Y1324 HydrophobicContact CG1-CD2 3.89Å; V1322-Y1324 HydrophobicContact CG1-CE2 3.8Å | ||
| 1325 | N | 38.5 | Very low | 43.7 | Very low | 102 Ų | 102 | 133 Ų | 133 | 55% | 0.545 | 67% | 0.667 | S | S | . | * | trans | -84.2 | 121.5 | -167.8 | -63.2 | -25.6 | 0 | 0 | 0 | 112.7 | E1327 D1328 | N1325-E1327 PolarHBondContact O-N 2.58Å; N1325-D1328 HydrophobicContact CB-CB 4.38Å; N1325-D1328 VanDerWaalsContact CB-OD2 3.24Å; N1325-D1328 WeakPolarHBondContact CB-OD2 3.42Å; N1325-D1328 PolarHBondContact ND2-OD2 3.08Å; N1325-D1328 PolarHBondContact O-N 2.88Å | ||
| 1326 | T | 45.9 | Very low | 45.5 | Very low | 109 Ų | 109 | 129.3 Ų | 129.3 | 67% | 0.669 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -70.1 | -14.8 | 170.9 | 46 | 0 | 0 | 0 | 0 | 113.9 | L1330 | T1326-L1330 PolarHBondContact O-N 2.86Å |
| 1327 | E | 47 | Very low | 47.5 | Very low | 151 Ų | 151 | 127.9 Ų | 127.9 | 71% | 0.706 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -77.9 | -29.6 | 178 | -160 | 163.2 | -145.6 | 0 | 0 | 112.2 | N1325 N1331 | N1325-E1327 PolarHBondContact O-N 2.58Å; E1327-N1331 PolarHBondContact O-N 3.14Å; E1327-N1331 VanDerWaalsContact O-N 3.13Å; E1327-N1331 PolarHBondContact O-ND2 3.34Å |
| 1328 | D | 46.5 | Very low | 49.6 | Very low | 86 Ų | 86 | 126.9 Ų | 126.9 | 46% | 0.46 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -71.8 | -40.4 | 175.5 | -71.2 | -52.4 | 0 | 0 | 0 | 111.5 | N1325 L1330 N1331 I1332 | N1325-D1328 HydrophobicContact CB-CB 4.38Å; N1325-D1328 VanDerWaalsContact CB-OD2 3.24Å; N1325-D1328 WeakPolarHBondContact CB-OD2 3.42Å; N1325-D1328 PolarHBondContact ND2-OD2 3.08Å; N1325-D1328 PolarHBondContact O-N 2.88Å; D1328-L1330 PolarHBondContact O-N 3.17Å; D1328-N1331 PolarHBondContact O-N 2.85Å; D1328-I1332 VanDerWaalsContact O-CG1 3.29Å; D1328-I1332 WeakPolarHBondContact O-CG1 3.47Å; D1328-I1332 PolarHBondContact O-N 2.9Å |
| 1329 | E | 45.8 | Very low | 51.4 | Low | 134 Ų | 134 | 125.4 Ų | 125.4 | 63% | 0.626 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -63.1 | -39.7 | 175.1 | -65.2 | -172.4 | 140 | 0 | 0 | 112.5 | I1332 L1333 | E1329-I1332 PolarHBondContact O-N 2.96Å; E1329-L1333 PolarHBondContact O-N 3Å |
| 1330 | L | 55.6 | Low | 53.4 | Low | 118 Ų | 118 | 124.9 Ų | 124.9 | 62% | 0.618 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -65 | -38.9 | 174.6 | -87.3 | 165.9 | 0 | 0 | 0 | 112.3 | T1326 D1328 R1334 | T1326-L1330 PolarHBondContact O-N 2.86Å; D1328-L1330 PolarHBondContact O-N 3.17Å; L1330-R1334 WeakPolarHBondContact O-CB 3.21Å; L1330-R1334 PolarHBondContact O-N 3.41Å |
| 1331 | N | 64.9 | Low | 55.5 | Low | 79 Ų | 79 | 119.1 Ų | 119.1 | 42% | 0.422 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -67.7 | -40.9 | 174.2 | -73.9 | -40.8 | 0 | 0 | 0 | 111.8 | E1327 D1328 L1333 R1334 D1335 | E1327-N1331 PolarHBondContact O-N 3.14Å; E1327-N1331 VanDerWaalsContact O-N 3.13Å; E1327-N1331 PolarHBondContact O-ND2 3.34Å; D1328-N1331 PolarHBondContact O-N 2.85Å; N1331-L1333 PolarHBondContact O-N 3.21Å; N1331-R1334 PolarHBondContact O-N 3.17Å; N1331-R1334 VanDerWaalsContact O-N 3.12Å; N1331-D1335 PolarHBondContact O-N 3.02Å |
| 1332 | I | 60.8 | Low | 57.6 | Low | 116 Ų | 116 | 115.8 Ų | 115.8 | 60% | 0.595 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -60.7 | -43.2 | 175.2 | -70.1 | 163.3 | 0 | 0 | 0 | 111.3 | D1328 E1329 R1334 A1336 | D1328-I1332 VanDerWaalsContact O-CG1 3.29Å; D1328-I1332 WeakPolarHBondContact O-CG1 3.47Å; D1328-I1332 PolarHBondContact O-N 2.9Å; E1329-I1332 PolarHBondContact O-N 2.96Å; I1332-R1334 VanDerWaalsContact C-N 3.32Å; I1332-R1334 PolarHBondContact O-N 3.33Å; I1332-A1336 VanDerWaalsContact O-CB 3.26Å; I1332-A1336 WeakPolarHBondContact O-CB 3.29Å; I1332-A1336 PolarHBondContact O-N 2.84Å |
| 1333 | L | 60.4 | Low | 59.4 | Low | 108 Ų | 108 | 114.6 Ų | 114.6 | 57% | 0.565 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -61.1 | -40.4 | 173.5 | -89.3 | 163.4 | 0 | 0 | 0 | 112.3 | E1329 N1331 A1336 Q1337 | E1329-L1333 PolarHBondContact O-N 3Å; N1331-L1333 PolarHBondContact O-N 3.21Å; L1333-A1336 PolarHBondContact O-N 3.16Å; L1333-Q1337 WeakPolarHBondContact O-CG 3.3Å; L1333-Q1337 PolarHBondContact O-N 2.75Å |
| 1334 | R | 70.2 | Confident | 61.5 | Low | 179 Ų | 179 | 110 Ų | 110 | 68% | 0.675 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -70.2 | -41.5 | -179.5 | -148.4 | 171.8 | -157.7 | 157.3 | 7 | 112.3 | L1330 N1331 I1332 Q1337 L1338 | L1330-R1334 WeakPolarHBondContact O-CB 3.21Å; L1330-R1334 PolarHBondContact O-N 3.41Å; N1331-R1334 PolarHBondContact O-N 3.17Å; N1331-R1334 VanDerWaalsContact O-N 3.12Å; I1332-R1334 VanDerWaalsContact C-N 3.32Å; I1332-R1334 PolarHBondContact O-N 3.33Å; R1334-Q1337 PolarHBondContact O-N 2.92Å; R1334-L1338 WeakPolarHBondContact O-CB 3.38Å; R1334-L1338 PolarHBondContact O-N 3.02Å |
| 1335 | D | 72 | Confident | 63.5 | Low | 111 Ų | 111 | 106.4 Ų | 106.4 | 59% | 0.594 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -67.5 | -37.4 | 173.8 | -81.6 | -11.3 | 0 | 0 | 0 | 111.5 | N1331 L1338 L1339 | N1331-D1335 PolarHBondContact O-N 3.02Å; D1335-L1338 PolarHBondContact O-N 3.22Å; D1335-L1339 VanDerWaalsContact O-CB 3.29Å; D1335-L1339 WeakPolarHBondContact O-CB 3.5Å; D1335-L1339 PolarHBondContact O-N 2.57Å |
| 1336 | A | 67.8 | Low | 65 | Low | 48 Ų | 48 | 108.3 Ų | 108.3 | 40% | 0.397 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63 | -44.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I1332 L1333 L1338 L1339 V1340 | I1332-A1336 VanDerWaalsContact O-CB 3.26Å; I1332-A1336 WeakPolarHBondContact O-CB 3.29Å; I1332-A1336 PolarHBondContact O-N 2.84Å; L1333-A1336 PolarHBondContact O-N 3.16Å; A1336-L1338 VanDerWaalsContact C-N 3.35Å; A1336-L1338 PolarHBondContact O-N 2.89Å; A1336-L1339 PolarHBondContact O-N 3.4Å; A1336-V1340 WeakPolarHBondContact O-CG2 3.47Å; A1336-V1340 PolarHBondContact O-N 3.07Å |
| 1337 | Q | 70.9 | Confident | 65.9 | Low | 136 Ų | 136 | 106 Ų | 106 | 64% | 0.636 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -60.8 | -42.2 | 172.8 | -75.1 | 177.3 | -11.3 | 0 | 0 | 112 | L1333 R1334 V1340 S1341 | L1333-Q1337 WeakPolarHBondContact O-CG 3.3Å; L1333-Q1337 PolarHBondContact O-N 2.75Å; R1334-Q1337 PolarHBondContact O-N 2.92Å; Q1337-V1340 PolarHBondContact O-N 3.16Å; Q1337-S1341 VanDerWaalsContact O-CB 3.28Å; Q1337-S1341 WeakPolarHBondContact O-CB 3.47Å; Q1337-S1341 PolarHBondContact O-N 3.4Å |
| 1338 | L | 75.4 | Confident | 67.2 | Low | 114 Ų | 114 | 103.6 Ų | 103.6 | 60% | 0.597 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.9 | -39.3 | 177.1 | -156.1 | 80.4 | 0 | 0 | 0 | 111.8 | R1334 D1335 A1336 T1342 | R1334-L1338 WeakPolarHBondContact O-CB 3.38Å; R1334-L1338 PolarHBondContact O-N 3.02Å; D1335-L1338 PolarHBondContact O-N 3.22Å; A1336-L1338 VanDerWaalsContact C-N 3.35Å; A1336-L1338 PolarHBondContact O-N 2.89Å; L1338-T1342 WeakPolarHBondContact O-CB 3.42Å; L1338-T1342 PolarHBondContact O-N 2.85Å; L1338-T1342 PolarHBondContact O-OG1 2.96Å |
| 1339 | L | 70.2 | Confident | 68.5 | Low | 110 Ų | 110 | 105.4 Ų | 105.4 | 58% | 0.576 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.9 | -47.1 | 176.7 | -166.8 | 79 | 0 | 0 | 0 | 111.1 | D1335 A1336 T1342 I1343 | D1335-L1339 VanDerWaalsContact O-CB 3.29Å; D1335-L1339 WeakPolarHBondContact O-CB 3.5Å; D1335-L1339 PolarHBondContact O-N 2.57Å; A1336-L1339 PolarHBondContact O-N 3.4Å; L1339-T1342 PolarHBondContact O-N 2.8Å; L1339-I1343 HydrophobicContact CD2-CD1 4.31Å; L1339-I1343 HydrophobicContact CG-CD1 4Å; L1339-I1343 VanDerWaalsContact O-CG1 3.28Å; L1339-I1343 WeakPolarHBondContact O-CG1 3.29Å; L1339-I1343 PolarHBondContact O-N 3.27Å |
| 1340 | V | 71.6 | Confident | 69.3 | Low | 84 Ų | 84 | 103.5 Ų | 103.5 | 51% | 0.509 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.9 | -47 | 176.3 | 170.2 | 0 | 0 | 0 | 0 | 110.8 | A1336 Q1337 T1342 I1343 I1344 | A1336-V1340 WeakPolarHBondContact O-CG2 3.47Å; A1336-V1340 PolarHBondContact O-N 3.07Å; Q1337-V1340 PolarHBondContact O-N 3.16Å; V1340-T1342 VanDerWaalsContact C-N 3.28Å; V1340-T1342 PolarHBondContact O-N 3.17Å; V1340-I1343 PolarHBondContact O-N 2.9Å; V1340-I1344 HydrophobicContact CG1-CD1 3.81Å; V1340-I1344 HydrophobicContact CG1-CG1 4.45Å; V1340-I1344 WeakPolarHBondContact O-CG1 3.47Å; V1340-I1344 PolarHBondContact O-N 3.26Å |
| 1341 | S | 74.6 | Confident | 69.6 | Low | 51 Ų | 51 | 103 Ų | 103 | 36% | 0.357 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -56 | -40.9 | 173.6 | 180 | 0 | 0 | 0 | 0 | 112.6 | Q1337 K1345 | Q1337-S1341 VanDerWaalsContact O-CB 3.28Å; Q1337-S1341 WeakPolarHBondContact O-CB 3.47Å; Q1337-S1341 PolarHBondContact O-N 3.4Å; S1341-K1345 WeakPolarHBondContact O-CG 3.41Å; S1341-K1345 PolarHBondContact O-N 2.98Å |
| 1342 | T | 75.5 | Confident | 69.9 | Low | 82 Ų | 82 | 104.6 Ų | 104.6 | 50% | 0.503 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -71.4 | -37.7 | 177.8 | -57.5 | 0 | 0 | 0 | 0 | 112.3 | L1338 L1339 V1340 K1346 | L1338-T1342 WeakPolarHBondContact O-CB 3.42Å; L1338-T1342 PolarHBondContact O-N 2.85Å; L1338-T1342 PolarHBondContact O-OG1 2.96Å; L1339-T1342 PolarHBondContact O-N 2.8Å; V1340-T1342 VanDerWaalsContact C-N 3.28Å; V1340-T1342 PolarHBondContact O-N 3.17Å; T1342-K1346 VanDerWaalsContact O-CB 3.23Å; T1342-K1346 WeakPolarHBondContact O-CB 2.9Å; T1342-K1346 PolarHBondContact O-N 3.35Å |
| 1343 | I | 69.5 | Low | 69.9 | Low | 103 Ų | 103 | 102.9 Ų | 102.9 | 53% | 0.528 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.2 | -45.1 | 175.5 | -71.5 | 164.7 | 0 | 0 | 0 | 110.3 | L1339 V1340 K1346 S1347 | L1339-I1343 HydrophobicContact CD2-CD1 4.31Å; L1339-I1343 HydrophobicContact CG-CD1 4Å; L1339-I1343 VanDerWaalsContact O-CG1 3.28Å; L1339-I1343 WeakPolarHBondContact O-CG1 3.29Å; L1339-I1343 PolarHBondContact O-N 3.27Å; V1340-I1343 PolarHBondContact O-N 2.9Å; I1343-K1346 PolarHBondContact O-N 3.15Å; I1343-S1347 WeakPolarHBondContact O-CB 3.44Å; I1343-S1347 PolarHBondContact O-N 2.86Å; I1343-S1347 PolarHBondContact O-OG 3.49Å |
| 1344 | I | 74.2 | Confident | 69.4 | Low | 82 Ų | 82 | 103.2 Ų | 103.2 | 42% | 0.421 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.3 | -56.3 | 176.5 | -69.1 | 167.5 | 0 | 0 | 0 | 109.7 | V1340 K1346 S1347 E1348 | V1340-I1344 HydrophobicContact CG1-CD1 3.81Å; V1340-I1344 HydrophobicContact CG1-CG1 4.45Å; V1340-I1344 WeakPolarHBondContact O-CG1 3.47Å; V1340-I1344 PolarHBondContact O-N 3.26Å; I1344-K1346 PolarHBondContact O-N 3.24Å; I1344-K1346 VanDerWaalsContact O-N 3.16Å; I1344-S1347 CarbonylContact O-C 3.56Å; I1344-S1347 WeakPolarHBondContact O-CA 3.46Å; I1344-S1347 WeakPolarHBondContact O-CB 3.43Å; I1344-S1347 PolarHBondContact O-N 2.9Å; I1344-S1347 PolarHBondContact O-OG 3.07Å; I1344-E1348 HydrophobicContact CG2-CG 4.32Å; I1344-E1348 WeakPolarHBondContact O-CG 3.15Å; I1344-E1348 PolarHBondContact O-N 3.21Å |
| 1345 | K | 75.9 | Confident | 69.1 | Low | 132 Ų | 132 | 100.9 Ų | 100.9 | 57% | 0.574 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -57.4 | -33.7 | 178.3 | -76.1 | 177.2 | 176 | 174.7 | 0 | 114.1 | S1341 E1348 M1349 | S1341-K1345 WeakPolarHBondContact O-CG 3.41Å; S1341-K1345 PolarHBondContact O-N 2.98Å; K1345-E1348 WeakPolarHBondContact CA-OE2 2.99Å; K1345-M1349 WeakPolarHBondContact O-CB 3.26Å; K1345-M1349 PolarHBondContact O-N 3.43Å |
| 1346 | K | 70.4 | Confident | 68.3 | Low | 142 Ų | 142 | 99.8 Ų | 99.8 | 62% | 0.617 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -76.1 | -30.4 | 175.9 | -164.5 | 167.4 | -174.3 | 174.9 | 0 | 112.2 | T1342 I1343 I1344 N1350 | T1342-K1346 VanDerWaalsContact O-CB 3.23Å; T1342-K1346 WeakPolarHBondContact O-CB 2.9Å; T1342-K1346 PolarHBondContact O-N 3.35Å; I1343-K1346 PolarHBondContact O-N 3.15Å; I1344-K1346 PolarHBondContact O-N 3.24Å; I1344-K1346 VanDerWaalsContact O-N 3.16Å; K1346-N1350 VanDerWaalsContact O-CB 3.28Å; K1346-N1350 WeakPolarHBondContact O-CB 3.48Å; K1346-N1350 PolarHBondContact O-N 2.94Å; K1346-N1350 PolarHBondContact O-ND2 3.11Å; K1346-N1350 PolarHBondContact O-OD1 3.24Å |
| 1347 | S | 64.9 | Low | 67.7 | Low | 60 Ų | 60 | 104.9 Ų | 104.9 | 42% | 0.42 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -71.8 | -39.1 | 171.1 | 74.2 | 0 | 0 | 0 | 0 | 112.1 | I1343 I1344 N1350 L1351 | I1343-S1347 WeakPolarHBondContact O-CB 3.44Å; I1343-S1347 PolarHBondContact O-N 2.86Å; I1343-S1347 PolarHBondContact O-OG 3.49Å; I1344-S1347 CarbonylContact O-C 3.56Å; I1344-S1347 WeakPolarHBondContact O-CA 3.46Å; I1344-S1347 WeakPolarHBondContact O-CB 3.43Å; I1344-S1347 PolarHBondContact O-N 2.9Å; I1344-S1347 PolarHBondContact O-OG 3.07Å; S1347-N1350 PolarHBondContact O-N 3.3Å; S1347-L1351 PolarHBondContact O-N 3.09Å |
| 1348 | E | 74.6 | Confident | 66.5 | Low | 101 Ų | 101 | 110.6 Ų | 110.6 | 47% | 0.472 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.4 | -50.2 | 172.3 | -67.8 | 170.7 | 155.1 | 0 | 0 | 111.1 | I1344 K1345 N1350 L1351 I1352 | I1344-E1348 HydrophobicContact CG2-CG 4.32Å; I1344-E1348 WeakPolarHBondContact O-CG 3.15Å; I1344-E1348 PolarHBondContact O-N 3.21Å; K1345-E1348 WeakPolarHBondContact CA-OE2 2.99Å; E1348-N1350 VanDerWaalsContact C-N 3.27Å; E1348-N1350 PolarHBondContact O-N 3.46Å; E1348-L1351 WeakPolarHBondContact O-CB 3.48Å; E1348-L1351 PolarHBondContact O-N 3.23Å; E1348-L1351 VanDerWaalsContact O-N 3.11Å; E1348-I1352 WeakPolarHBondContact O-CG1 3.31Å; E1348-I1352 PolarHBondContact O-N 3.07Å |
| 1349 | M | 72.8 | Confident | 66.1 | Low | 124 Ų | 124 | 110.4 Ų | 110.4 | 61% | 0.611 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -59.5 | -37.2 | 174.2 | -85.5 | -154.2 | 72.7 | 0 | 0 | 112.8 | K1345 L1353 | K1345-M1349 WeakPolarHBondContact O-CB 3.26Å; K1345-M1349 PolarHBondContact O-N 3.43Å; M1349-L1353 VanDerWaalsContact O-CB 3.31Å; M1349-L1353 WeakPolarHBondContact O-CB 3.47Å; M1349-L1353 PolarHBondContact O-N 3.44Å |
| 1350 | N | 63.5 | Low | 65.9 | Low | 93 Ų | 93 | 110.4 Ų | 110.4 | 50% | 0.497 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -70.6 | -33.8 | 175.7 | -75.3 | -11.6 | 0 | 0 | 0 | 112.2 | K1346 S1347 E1348 F1354 | K1346-N1350 VanDerWaalsContact O-CB 3.28Å; K1346-N1350 WeakPolarHBondContact O-CB 3.48Å; K1346-N1350 PolarHBondContact O-N 2.94Å; K1346-N1350 PolarHBondContact O-ND2 3.11Å; K1346-N1350 PolarHBondContact O-OD1 3.24Å; S1347-N1350 PolarHBondContact O-N 3.3Å; E1348-N1350 VanDerWaalsContact C-N 3.27Å; E1348-N1350 PolarHBondContact O-N 3.46Å; N1350-F1354 VanDerWaalsContact O-CB 3.25Å; N1350-F1354 WeakPolarHBondContact O-CB 3.25Å; N1350-F1354 PolarHBondContact O-N 2.61Å |
| 1351 | L | 62.4 | Low | 65.6 | Low | 109 Ų | 109 | 111.9 Ų | 111.9 | 57% | 0.571 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64 | -51.4 | 171.4 | -117.4 | 76.4 | 0 | 0 | 0 | 110.5 | S1347 E1348 L1353 F1354 E1355 | S1347-L1351 PolarHBondContact O-N 3.09Å; E1348-L1351 WeakPolarHBondContact O-CB 3.48Å; E1348-L1351 PolarHBondContact O-N 3.23Å; E1348-L1351 VanDerWaalsContact O-N 3.11Å; L1351-L1353 VanDerWaalsContact C-N 3.29Å; L1351-L1353 PolarHBondContact O-N 3.28Å; L1351-F1354 CarbonylContact O-C 3.41Å; L1351-F1354 PolarHBondContact O-N 3.05Å; L1351-E1355 WeakPolarHBondContact O-CB 3.46Å; L1351-E1355 WeakPolarHBondContact O-CG 3.49Å; L1351-E1355 PolarHBondContact O-N 3.18Å |
| 1352 | I | 70.9 | Confident | 65 | Low | 112 Ų | 112 | 115.5 Ų | 115.5 | 57% | 0.574 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -60.2 | -39.5 | 178.7 | -65.8 | 163.7 | 0 | 0 | 0 | 110.9 | E1348 S1356 | E1348-I1352 WeakPolarHBondContact O-CG1 3.31Å; E1348-I1352 PolarHBondContact O-N 3.07Å; I1352-S1356 WeakPolarHBondContact O-CB 3.41Å; I1352-S1356 PolarHBondContact O-N 3.45Å; I1352-S1356 PolarHBondContact O-OG 2.83Å |
| 1353 | L | 60.3 | Low | 64.4 | Low | 79 Ų | 79 | 117.6 Ų | 117.6 | 41% | 0.414 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.1 | -46.3 | 172.1 | -90.8 | 160.4 | 0 | 0 | 0 | 111.9 | M1349 L1351 E1355 S1356 Q1357 | M1349-L1353 VanDerWaalsContact O-CB 3.31Å; M1349-L1353 WeakPolarHBondContact O-CB 3.47Å; M1349-L1353 PolarHBondContact O-N 3.44Å; L1351-L1353 VanDerWaalsContact C-N 3.29Å; L1351-L1353 PolarHBondContact O-N 3.28Å; L1353-E1355 VanDerWaalsContact C-N 3.34Å; L1353-E1355 PolarHBondContact O-N 3.14Å; L1353-S1356 WeakPolarHBondContact CA-OG 3.25Å; L1353-S1356 CarbonylContact O-C 3.55Å; L1353-S1356 PolarHBondContact O-N 3.14Å; L1353-S1356 PolarHBondContact O-OG 3.26Å; L1353-Q1357 WeakPolarHBondContact O-CB 3.39Å; L1353-Q1357 WeakPolarHBondContact O-CG 2.78Å; L1353-Q1357 PolarHBondContact O-N 2.63Å |
| 1354 | F | 49.1 | Very low | 64 | Low | 115 Ų | 115 | 118.5 Ų | 118.5 | 50% | 0.504 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66 | -34.3 | 179.2 | -169.2 | -98.4 | 0 | 0 | 0 | 112.7 | N1350 L1351 Q1357 R1358 | N1350-F1354 VanDerWaalsContact O-CB 3.25Å; N1350-F1354 WeakPolarHBondContact O-CB 3.25Å; N1350-F1354 PolarHBondContact O-N 2.61Å; L1351-F1354 CarbonylContact O-C 3.41Å; L1351-F1354 PolarHBondContact O-N 3.05Å; F1354-Q1357 PolarHBondContact O-N 3.38Å; F1354-R1358 VanDerWaalsContact O-CB 3.28Å; F1354-R1358 WeakPolarHBondContact O-CB 3.13Å; F1354-R1358 PolarHBondContact O-N 3.45Å |
| 1355 | E | 64.3 | Low | 63.3 | Low | 131 Ų | 131 | 121.1 Ų | 121.1 | 61% | 0.612 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -74 | -28.3 | 172.2 | -70.5 | -178.7 | 161.2 | 0 | 0 | 112.6 | L1351 L1353 Q1357 | L1351-E1355 WeakPolarHBondContact O-CB 3.46Å; L1351-E1355 WeakPolarHBondContact O-CG 3.49Å; L1351-E1355 PolarHBondContact O-N 3.18Å; L1353-E1355 VanDerWaalsContact C-N 3.34Å; L1353-E1355 PolarHBondContact O-N 3.14Å; E1355-Q1357 VanDerWaalsContact C-N 3.32Å |
| 1356 | S | 55.9 | Low | 62.3 | Low | 88 Ų | 88 | 120.3 Ų | 120.3 | 62% | 0.615 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -78.9 | -13.5 | 171.6 | 75.8 | 0 | 0 | 0 | 0 | 114.2 | I1352 L1353 | I1352-S1356 WeakPolarHBondContact O-CB 3.41Å; I1352-S1356 PolarHBondContact O-N 3.45Å; I1352-S1356 PolarHBondContact O-OG 2.83Å; L1353-S1356 WeakPolarHBondContact CA-OG 3.25Å; L1353-S1356 CarbonylContact O-C 3.55Å; L1353-S1356 PolarHBondContact O-N 3.14Å; L1353-S1356 PolarHBondContact O-OG 3.26Å |
| 1357 | Q | 54.4 | Low | 61.7 | Low | 154 Ų | 154 | 118.5 Ų | 118.5 | 72% | 0.72 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.9 | 5.6 | 177.9 | -75.3 | -176.9 | -16.6 | 0 | 0 | 113.2 | L1353 F1354 E1355 | L1353-Q1357 WeakPolarHBondContact O-CB 3.39Å; L1353-Q1357 WeakPolarHBondContact O-CG 2.78Å; L1353-Q1357 PolarHBondContact O-N 2.63Å; F1354-Q1357 PolarHBondContact O-N 3.38Å; E1355-Q1357 VanDerWaalsContact C-N 3.32Å |
| 1358 | R | 47 | Very low | 61.4 | Low | 256 Ų | 256 | 123.8 Ų | 123.8 | 97% | 0.966 | 60% | 0.596 | S | S | * | * | trans | -125.4 | 0 | -169.6 | -176 | 175.8 | -177 | -151.5 | -3.6 | 112.9 | F1354 | F1354-R1358 VanDerWaalsContact O-CB 3.28Å; F1354-R1358 WeakPolarHBondContact O-CB 3.13Å; F1354-R1358 PolarHBondContact O-N 3.45Å |
Retrieved 1,358 of 1,358 residues in 303.2 ms
(Link to these results)