| 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 | 57.6 | Low | 69.7 | Low | 225 Ų | 225 | 120 Ų | 120 | 100% | 1.108 | 64% | 0.635 | S | S | * | * | 0 | -1.9 | 0 | -79.3 | 174.1 | 159.6 | 0 | 0 | 114.9 | |||||
| 2 | S | 63.7 | Low | 70.5 | Confident | 82 Ų | 82 | 125.8 Ų | 125.8 | 57% | 0.573 | 64% | 0.642 | S | S | * | * | trans | -82.2 | -29.5 | -178 | 169.4 | 0 | 0 | 0 | 0 | 114.8 | L4 H5 | S2-L4 PolarHBondContact O-N 3.04Å; S2-H5 PolarHBondContact O-N 3.41Å | ||
| 3 | I | 63.8 | Low | 71.2 | Confident | 126 Ų | 126 | 125 Ų | 125 | 65% | 0.646 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -69.3 | -36.2 | -174.9 | -63.3 | 165 | 0 | 0 | 0 | 112.2 | H5 H6 W7 | I3-H5 VanDerWaalsContact C-N 3.31Å; I3-H5 PolarHBondContact O-N 3.25Å; I3-H6 PolarHBondContact O-N 3.03Å; I3-W7 PolarHBondContact O-N 3.23Å |
| 4 | L | 61.2 | Low | 71.7 | Confident | 146 Ų | 146 | 123.7 Ų | 123.7 | 76% | 0.764 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -63.9 | -33.7 | -178.7 | -121.9 | 91.3 | 0 | 0 | 0 | 113.1 | S2 A8 | S2-L4 PolarHBondContact O-N 3.04Å; L4-A8 PolarHBondContact O-N 3.01Å |
| 5 | H | 65.5 | Low | 71.9 | Confident | 144 Ų | 144 | 120.3 Ų | 120.3 | 67% | 0.667 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -70.1 | -32.3 | 179.1 | -78.6 | -70.2 | 0 | 0 | 0 | 112.7 | S2 I3 A9 | S2-H5 PolarHBondContact O-N 3.41Å; I3-H5 VanDerWaalsContact C-N 3.31Å; I3-H5 PolarHBondContact O-N 3.25Å; H5-A9 WeakPolarHBondContact O-CB 3.32Å; H5-A9 PolarHBondContact O-N 3.03Å |
| 6 | H | 67.2 | Low | 71.6 | Confident | 127 Ų | 127 | 117.5 Ų | 117.5 | 59% | 0.588 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -70.2 | -38.1 | 176.6 | -71.5 | -49.1 | 0 | 0 | 0 | 112.5 | I3 A9 C10 | I3-H6 PolarHBondContact O-N 3.03Å; H6-A9 PolarHBondContact O-N 3.44Å; H6-C10 PolarHBondContact O-N 2.97Å |
| 7 | W | 71.7 | Confident | 71.2 | Confident | 176 Ų | 176 | 120.6 Ų | 120.6 | 67% | 0.667 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -65.5 | -41.6 | 174.8 | -72.6 | 102 | 0 | 0 | 0 | 112.2 | I3 C10 L11 | I3-W7 PolarHBondContact O-N 3.23Å; W7-C10 PolarHBondContact O-N 3.11Å; W7-L11 WeakPolarHBondContact O-CB 3.44Å; W7-L11 WeakPolarHBondContact O-CG 3.44Å; W7-L11 PolarHBondContact O-N 3.15Å |
| 8 | A | 76.6 | Confident | 70.4 | Confident | 56 Ų | 56 | 118.1 Ų | 118.1 | 46% | 0.463 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -62.8 | -43.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L4 L11 W12 | L4-A8 PolarHBondContact O-N 3.01Å; A8-L11 PolarHBondContact O-N 2.72Å; A8-W12 WeakPolarHBondContact O-CB 3.44Å; A8-W12 PolarHBondContact O-N 3.44Å |
| 9 | A | 78.4 | Confident | 69.7 | Low | 51 Ų | 51 | 119.4 Ų | 119.4 | 42% | 0.421 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -64.7 | -42.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | H5 H6 W12 L13 | H5-A9 WeakPolarHBondContact O-CB 3.32Å; H5-A9 PolarHBondContact O-N 3.03Å; H6-A9 PolarHBondContact O-N 3.44Å; A9-W12 PolarHBondContact O-N 2.77Å; A9-L13 WeakPolarHBondContact O-CB 3.37Å; A9-L13 WeakPolarHBondContact O-CG 3.49Å; A9-L13 PolarHBondContact O-N 2.78Å |
| 10 | C | 80 | Confident | 68.7 | Low | 71 Ų | 71 | 121.1 Ų | 121.1 | 48% | 0.48 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -63.5 | -42.8 | 174.5 | -90.7 | 0 | 0 | 0 | 0 | 112.4 | H6 W7 W12 L13 L14 | H6-C10 PolarHBondContact O-N 2.97Å; W7-C10 PolarHBondContact O-N 3.11Å; C10-W12 VanDerWaalsContact C-N 3.31Å; C10-W12 PolarHBondContact O-N 2.78Å; C10-L13 PolarHBondContact O-N 3.04Å; C10-L14 WeakPolarHBondContact O-CB 3.11Å; C10-L14 WeakPolarHBondContact O-CG 3.36Å; C10-L14 PolarHBondContact O-N 3.19Å |
| 11 | L | 80.7 | Confident | 67.5 | Low | 116 Ų | 116 | 121.6 Ų | 121.6 | 61% | 0.607 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -63.3 | -39.1 | 175.2 | -80.3 | 164.4 | 0 | 0 | 0 | 111.4 | W7 A8 L14 C15 | W7-L11 WeakPolarHBondContact O-CB 3.44Å; W7-L11 WeakPolarHBondContact O-CG 3.44Å; W7-L11 PolarHBondContact O-N 3.15Å; A8-L11 PolarHBondContact O-N 2.72Å; L11-L14 PolarHBondContact O-N 3.3Å; L11-C15 VanDerWaalsContact O-CB 3.3Å; L11-C15 WeakPolarHBondContact O-CB 3.36Å; L11-C15 PolarHBondContact O-N 2.68Å |
| 12 | W | 79.7 | Confident | 67 | Low | 189 Ų | 189 | 118.8 Ų | 118.8 | 72% | 0.716 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -67.4 | -40.2 | 176 | -131.4 | 63.7 | 0 | 0 | 0 | 112.3 | A8 A9 C10 C15 L16 | A8-W12 WeakPolarHBondContact O-CB 3.44Å; A8-W12 PolarHBondContact O-N 3.44Å; A9-W12 PolarHBondContact O-N 2.77Å; C10-W12 VanDerWaalsContact C-N 3.31Å; C10-W12 PolarHBondContact O-N 2.78Å; W12-C15 PolarHBondContact O-N 3.11Å; W12-L16 HydrophobicContact CD2-CD1 4.4Å; W12-L16 HydrophobicContact CE3-CD1 3.6Å; W12-L16 HydrophobicContact CE3-CG 4.48Å; W12-L16 HydrophobicContact CZ3-CD1 3.93Å; W12-L16 VanDerWaalsContact O-CB 3.31Å; W12-L16 WeakPolarHBondContact O-CB 3.5Å; W12-L16 WeakPolarHBondContact O-CG 3.36Å; W12-L16 PolarHBondContact O-N 2.88Å |
| 13 | L | 80.1 | Confident | 66.3 | Low | 116 Ų | 116 | 118.8 Ų | 118.8 | 61% | 0.607 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -66.5 | -40.5 | 174 | -75.6 | 166.2 | 0 | 0 | 0 | 111.9 | A9 C10 L16 Y17 | A9-L13 WeakPolarHBondContact O-CB 3.37Å; A9-L13 WeakPolarHBondContact O-CG 3.49Å; A9-L13 PolarHBondContact O-N 2.78Å; C10-L13 PolarHBondContact O-N 3.04Å; L13-L16 PolarHBondContact O-N 3.07Å; L13-Y17 VanDerWaalsContact O-CB 3.23Å; L13-Y17 WeakPolarHBondContact O-CB 3.46Å; L13-Y17 PolarHBondContact O-N 3.44Å |
| 14 | L | 77.4 | Confident | 65.8 | Low | 107 Ų | 107 | 117.8 Ų | 117.8 | 56% | 0.56 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65.6 | -38.6 | 172.4 | -81 | 160.9 | 0 | 0 | 0 | 111.8 | C10 L11 S18 | C10-L14 WeakPolarHBondContact O-CB 3.11Å; C10-L14 WeakPolarHBondContact O-CG 3.36Å; C10-L14 PolarHBondContact O-N 3.19Å; L11-L14 PolarHBondContact O-N 3.3Å; L14-S18 VanDerWaalsContact O-CB 3.29Å; L14-S18 WeakPolarHBondContact O-CB 3.4Å; L14-S18 PolarHBondContact O-N 2.92Å; L14-S18 PolarHBondContact O-OG 2.03Å |
| 15 | C | 75 | Confident | 65.9 | Low | 73 Ų | 73 | 112.3 Ų | 112.3 | 49% | 0.493 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -66.4 | -44.8 | 174 | -126 | 0 | 0 | 0 | 0 | 110.9 | L11 W12 S18 L19 | L11-C15 VanDerWaalsContact O-CB 3.3Å; L11-C15 WeakPolarHBondContact O-CB 3.36Å; L11-C15 PolarHBondContact O-N 2.68Å; W12-C15 PolarHBondContact O-N 3.11Å; C15-S18 CarbonylContact O-C 3.6Å; C15-S18 PolarHBondContact O-N 3.29Å; C15-L19 WeakPolarHBondContact O-CB 3.22Å; C15-L19 VanDerWaalsContact O-CD1 3.25Å; C15-L19 WeakPolarHBondContact O-CD1 3.28Å; C15-L19 PolarHBondContact O-N 3.19Å |
| 16 | L | 67.5 | Low | 66.8 | Low | 75 Ų | 75 | 108.9 Ų | 108.9 | 39% | 0.393 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -62.9 | -41.7 | 175 | -82.3 | 162.6 | 0 | 0 | 0 | 111.6 | W12 L13 S18 L19 Q20 | W12-L16 HydrophobicContact CD2-CD1 4.4Å; W12-L16 HydrophobicContact CE3-CD1 3.6Å; W12-L16 HydrophobicContact CE3-CG 4.48Å; W12-L16 HydrophobicContact CZ3-CD1 3.93Å; W12-L16 VanDerWaalsContact O-CB 3.31Å; W12-L16 WeakPolarHBondContact O-CB 3.5Å; W12-L16 WeakPolarHBondContact O-CG 3.36Å; W12-L16 PolarHBondContact O-N 2.88Å; L13-L16 PolarHBondContact O-N 3.07Å; L16-S18 VanDerWaalsContact C-N 3.33Å; L16-L19 CarbonylContact O-C 3.48Å; L16-L19 PolarHBondContact O-N 3.09Å; L16-Q20 WeakPolarHBondContact O-CB 3.23Å; L16-Q20 PolarHBondContact O-N 2.98Å |
| 17 | Y | 63.8 | Low | 68.1 | Low | 170 Ų | 170 | 103 Ų | 103 | 67% | 0.667 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.5 | -37.2 | 174.7 | -166 | -97.7 | 0 | 0 | 0 | 111.7 | L13 Q20 Q21 | L13-Y17 VanDerWaalsContact O-CB 3.23Å; L13-Y17 WeakPolarHBondContact O-CB 3.46Å; L13-Y17 PolarHBondContact O-N 3.44Å; Y17-Q20 CarbonylContact O-C 3.51Å; Y17-Q20 PolarHBondContact O-N 3.15Å; Y17-Q21 PolarHBondContact O-N 3.32Å |
| 18 | S | 58.3 | Low | 69.1 | Low | 76 Ų | 76 | 94.7 Ų | 94.7 | 53% | 0.531 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -72.2 | -33.7 | 175.2 | -55.4 | 0 | 0 | 0 | 0 | 112.4 | L14 C15 L16 | L14-S18 VanDerWaalsContact O-CB 3.29Å; L14-S18 WeakPolarHBondContact O-CB 3.4Å; L14-S18 PolarHBondContact O-N 2.92Å; L14-S18 PolarHBondContact O-OG 2.03Å; C15-S18 CarbonylContact O-C 3.6Å; C15-S18 PolarHBondContact O-N 3.29Å; L16-S18 VanDerWaalsContact C-N 3.33Å |
| 19 | L | 56.7 | Low | 69.9 | Low | 142 Ų | 142 | 94.8 Ų | 94.8 | 74% | 0.743 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -75.5 | -30 | 172.1 | -95.5 | 107.9 | 0 | 0 | 0 | 112.4 | C15 L16 Q21 | C15-L19 WeakPolarHBondContact O-CB 3.22Å; C15-L19 VanDerWaalsContact O-CD1 3.25Å; C15-L19 WeakPolarHBondContact O-CD1 3.28Å; C15-L19 PolarHBondContact O-N 3.19Å; L16-L19 CarbonylContact O-C 3.48Å; L16-L19 PolarHBondContact O-N 3.09Å; L19-Q21 VanDerWaalsContact C-N 3.32Å |
| 20 | Q | 50.3 | Low | 70.6 | Confident | 153 Ų | 153 | 92.4 Ų | 92.4 | 72% | 0.715 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -84.6 | -1.8 | 173.6 | -90.8 | -168.8 | -79.5 | 0 | 0 | 113.7 | L16 Y17 E22 | L16-Q20 WeakPolarHBondContact O-CB 3.23Å; L16-Q20 PolarHBondContact O-N 2.98Å; Y17-Q20 CarbonylContact O-C 3.51Å; Y17-Q20 PolarHBondContact O-N 3.15Å; Q20-E22 PolarHBondContact O-N 3.25Å |
| 21 | Q | 43.4 | Very low | 71.2 | Confident | 132 Ų | 132 | 91.9 Ų | 91.9 | 62% | 0.617 | 47% | 0.473 | S | S | * | . | trans | -69.8 | 68.2 | 159.5 | -147.5 | 174.8 | 6.3 | 0 | 0 | 107.1 | Y17 L19 V23 | Y17-Q21 PolarHBondContact O-N 3.32Å; L19-Q21 VanDerWaalsContact C-N 3.32Å; Q21-V23 PolarHBondContact O-N 3.23Å | ||
| 22 | E | 46.1 | Very low | 71.8 | Confident | 167 Ų | 167 | 92.3 Ų | 92.3 | 78% | 0.78 | 47% | 0.47 | S | S | * | . | trans | -37.3 | 112 | 158.5 | -108.9 | -172.8 | 167.3 | 0 | 0 | 104.3 | Q20 T24 | Q20-E22 PolarHBondContact O-N 3.25Å; E22-T24 VanDerWaalsContact C-N 3.28Å; E22-T24 VanDerWaalsContact O-CA 3.26Å; E22-T24 WeakPolarHBondContact O-CA 3.42Å; E22-T24 WeakPolarHBondContact O-CG2 3Å; E22-T24 PolarHBondContact O-N 3.4Å | ||
| 23 | V | 50 | Low | 72.4 | Confident | 82 Ų | 82 | 84.6 Ų | 84.6 | 50% | 0.497 | 44% | 0.441 | S | S | . | . | trans | -37.2 | 98.7 | 178.9 | 174.2 | 0 | 0 | 0 | 0 | 107.1 | Q21 S25 R77 | Q21-V23 PolarHBondContact O-N 3.23Å; V23-S25 VanDerWaalsContact C-N 3.3Å; V23-S25 PolarHBondContact O-N 3.35Å; V23-R77 HydrophobicContact CG1-CB 4.5Å; V23-R77 HydrophobicContact CG1-CG 4.23Å | ||
| 24 | T | 53 | Low | 73 | Confident | 104 Ų | 104 | 81.9 Ų | 81.9 | 64% | 0.638 | 44% | 0.44 | S | S | * | . | trans | -67.8 | 99.7 | -164.6 | 44.6 | 0 | 0 | 0 | 0 | 105.8 | E22 Q26 | E22-T24 VanDerWaalsContact C-N 3.28Å; E22-T24 VanDerWaalsContact O-CA 3.26Å; E22-T24 WeakPolarHBondContact O-CA 3.42Å; E22-T24 WeakPolarHBondContact O-CG2 3Å; E22-T24 PolarHBondContact O-N 3.4Å; T24-Q26 PolarHBondContact O-N 2.97Å; T24-Q26 VanDerWaalsContact O-N 3.09Å | ||
| 25 | S | 63.2 | Low | 73.7 | Confident | 32 Ų | 32 | 77.6 Ų | 77.6 | 22% | 0.224 | 42% | 0.422 | C | S | . | . | trans | -60.3 | 118.2 | -172 | 54.6 | 0 | 0 | 0 | 0 | 108 | V23 C27 H78 K240 | V23-S25 VanDerWaalsContact C-N 3.3Å; V23-S25 PolarHBondContact O-N 3.35Å; S25-C27 PolarHBondContact O-N 2.97Å; S25-H78 WeakPolarHBondContact CB-NE2 3.17Å; S25-K240 PolarHBondContact O-NZ 3.16Å; S25-K240 PolarHBondContact OG-NZ 2.66Å; S25-K240 VanDerWaalsContact OG-NZ 3.16Å | ||
| 26 | Q | 84.5 | Confident | 74.4 | Confident | 71 Ų | 71 | 77.9 Ų | 77.9 | 33% | 0.332 | 42% | 0.416 | S | S | . | . | trans | -79.3 | -0.5 | -176.9 | -69.6 | 177.9 | -9.2 | 0 | 0 | 112.8 | T24 K32 Y33 | T24-Q26 PolarHBondContact O-N 2.97Å; T24-Q26 VanDerWaalsContact O-N 3.09Å; Q26-K32 HydrophobicContact CB-CB 4.29Å; Q26-K32 HydrophobicContact CG-CB 4.4Å; Q26-Y33 HydrophobicContact CB-CE2 4.11Å; Q26-Y33 WeakPolarHBondContact CB-OH 3.4Å; Q26-Y33 VanDerWaalsContact O-CE2 3.31Å; Q26-Y33 WeakPolarHBondContact O-CE2 3.25Å | ||
| 27 | C | 93 | Very high | 75.5 | Confident | 5 Ų | 5 | 77.4 Ų | 77.4 | 3% | 0.034 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 157.7 | 175.7 | 62.1 | 0 | 0 | 0 | 0 | 111.8 | S25 E29 P70 P163 C165 K240 | S25-C27 PolarHBondContact O-N 2.97Å; C27-E29 PolarHBondContact O-N 3.18Å; C27-E29 VanDerWaalsContact O-N 3.08Å; C27-P70 HydrophobicContact CB-CB 4.48Å; C27-P70 HydrophobicContact CB-CG 4.2Å; C27-P163 HydrophobicContact CB-CB 4.49Å; C27-P163 HydrophobicContact CB-CG 4.09Å; C27-C165 HydrophobicContact CB-CB 4.07Å; C27-C165 WeakPolarHBondContact CB-SG 3.35Å; C27-C165 PolarHBondContact O-SG 3.42Å; C27-C165 WeakPolarHBondContact SG-CA 3.23Å; C27-C165 WeakPolarHBondContact SG-CB 3.22Å; C27-C165 CovalentContact SG-SG 2.04Å; C27-C165 PolarHBondContact SG-SG 2.78Å; C27-K240 WeakPolarHBondContact O-CE 3.37Å; C27-K240 PolarHBondContact O-NZ 3.27Å |
| 28 | G | 93.9 | Very high | 76.6 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 16.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | I38 P163 A241 | G28-I38 WeakPolarHBondContact O-CD1 3.25Å; G28-P163 PolarHBondContact N-O 2.88Å; G28-A241 WeakPolarHBondContact CA-O 3.36Å; G28-A241 PolarHBondContact O-N 2.86Å |
| 29 | E | 93.5 | Very high | 77.9 | Confident | 58 Ų | 58 | 73.1 Ų | 73.1 | 27% | 0.271 | 40% | 0.395 | S | S | . | . | trans | -139.2 | 78.8 | -179.8 | -67.4 | 176.7 | 65.8 | 0 | 0 | 109.7 | C27 A31 K32 K240 | C27-E29 PolarHBondContact O-N 3.18Å; C27-E29 VanDerWaalsContact O-N 3.08Å; E29-A31 PolarHBondContact O-N 2.88Å; E29-A31 VanDerWaalsContact O-N 3.07Å; E29-K32 HydrophobicContact CB-CG 3.81Å; E29-K32 WeakPolarHBondContact O-CB 3.3Å; E29-K32 PolarHBondContact O-N 3.33Å; E29-K32 VanDerWaalsContact OE1-CE 3.28Å; E29-K32 WeakPolarHBondContact OE1-CE 3.1Å; E29-K240 HydrophobicContact CG-CB 4.38Å; E29-K240 HydrophobicContact CG-CD 4.26Å; E29-K240 HydrophobicContact CG-CG 4.08Å; E29-K240 IonicContact OE2-NZ 3.98Å; E29-K240 PolarHBondContact OE2-NZ 2.57Å | ||
| 30 | P | 93.4 | Very high | 79.3 | Confident | 1 Ų | 1 | 67.7 Ų | 67.7 | 1% | 0.006 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -57.8 | -28.6 | -173.1 | -28 | 37.3 | 0 | 0 | 0 | 115.3 | K32 Y33 G34 G35 I38 Y41 P50 W51 | P30-K32 PolarHBondContact O-N 3.17Å; P30-Y33 PolarHBondContact O-N 2.97Å; P30-G34 PolarHBondContact O-N 2.89Å; P30-G35 PolarHBondContact O-N 2.82Å; P30-I38 HydrophobicContact CG-CG1 4.29Å; P30-Y41 HydrophobicContact CB-CE2 4.02Å; P30-Y41 HydrophobicContact CG-CE2 4.24Å; P30-P50 HydrophobicContact CB-CG 3.65Å; P30-P50 HydrophobicContact CG-CG 3.42Å; P30-P50 VanDerWaalsContact CG-CG 3.42Å; P30-W51 HydrophobicContact CG-CE3 4.49Å; P30-W51 HydrophobicContact CG-CH2 4.48Å; P30-W51 HydrophobicContact CG-CZ3 3.74Å |
| 31 | A | 92.6 | Very high | 80.8 | Confident | 60 Ų | 60 | 61.3 Ų | 61.3 | 50% | 0.496 | 34% | 0.34 | S | S | . | . | G | 310 helix | trans | -57.2 | -27.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | E29 Y33 G34 G35 Q36 | E29-A31 PolarHBondContact O-N 2.88Å; E29-A31 VanDerWaalsContact O-N 3.07Å; A31-Y33 PolarHBondContact O-N 2.86Å; A31-G34 PolarHBondContact O-N 2.93Å; A31-G35 WeakPolarHBondContact CA-O 3.04Å; A31-Q36 PolarHBondContact N-O 2.9Å |
| 32 | K | 92.3 | Very high | 82.6 | Confident | 126 Ų | 126 | 57.4 Ų | 57.4 | 55% | 0.548 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -67.2 | -17.6 | 175 | -60 | -63.3 | -176.8 | -179.3 | 0 | 113.2 | Q26 E29 P30 | Q26-K32 HydrophobicContact CB-CB 4.29Å; Q26-K32 HydrophobicContact CG-CB 4.4Å; E29-K32 HydrophobicContact CB-CG 3.81Å; E29-K32 WeakPolarHBondContact O-CB 3.3Å; E29-K32 PolarHBondContact O-N 3.33Å; E29-K32 VanDerWaalsContact OE1-CE 3.28Å; E29-K32 WeakPolarHBondContact OE1-CE 3.1Å; P30-K32 PolarHBondContact O-N 3.17Å |
| 33 | Y | 92.6 | Very high | 84.3 | Confident | 27 Ų | 27 | 55 Ų | 55 | 11% | 0.106 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -111.9 | 13.8 | 179.2 | -56.4 | -74.3 | 0 | 0 | 0 | 112.9 | Q26 P30 A31 F157 N158 K159 P163 | Q26-Y33 HydrophobicContact CB-CE2 4.11Å; Q26-Y33 WeakPolarHBondContact CB-OH 3.4Å; Q26-Y33 VanDerWaalsContact O-CE2 3.31Å; Q26-Y33 WeakPolarHBondContact O-CE2 3.25Å; P30-Y33 PolarHBondContact O-N 2.97Å; A31-Y33 PolarHBondContact O-N 2.86Å; Y33-F157 HydrophobicContact CD1-CB 3.56Å; Y33-F157 HydrophobicContact CD1-CD2 4.29Å; Y33-F157 HydrophobicContact CD1-CG 4.38Å; Y33-F157 HydrophobicContact CE1-CB 3.81Å; Y33-F157 AromaticContact CE1-CD2 3.64Å; Y33-F157 HydrophobicContact CE1-CD2 3.64Å; Y33-F157 HydrophobicContact CE1-CG 4.17Å; Y33-F157 HydrophobicContact CG-CB 4.04Å; Y33-F157 AromaticContact CZ-CD2 3.75Å; Y33-N158 WeakPolarHBondContact CB-O 3.48Å; Y33-N158 CarbonylContact O-C 3.57Å; Y33-K159 PolarHBondContact O-N 3.11Å; Y33-K159 VanDerWaalsContact O-N 3.12Å; Y33-P163 HydrophobicContact CE2-CG 4.49Å |
| 34 | G | 92.1 | Very high | 85.5 | Confident | 58 Ų | 58 | 52.8 Ų | 52.8 | 60% | 0.598 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.1 | 6.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | P30 A31 K159 | P30-G34 PolarHBondContact O-N 2.89Å; A31-G34 PolarHBondContact O-N 2.93Å; G34-K159 VanDerWaalsContact C-CB 3.44Å; G34-K159 WeakPolarHBondContact O-CB 3.47Å |
| 35 | G | 91.7 | Very high | 86.2 | Confident | 17 Ų | 17 | 56.6 Ų | 56.6 | 18% | 0.175 | 31% | 0.312 | C | S | . | . | trans | -78.9 | -176.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | P30 A31 K159 | P30-G35 PolarHBondContact O-N 2.82Å; A31-G35 WeakPolarHBondContact CA-O 3.04Å; G35-K159 WeakPolarHBondContact CA-O 3.41Å | ||
| 36 | Q | 90.6 | Very high | 86.4 | Confident | 80 Ų | 80 | 58.2 Ų | 58.2 | 37% | 0.374 | 32% | 0.323 | S | S | . | . | trans | -78.2 | 167.9 | 175.2 | -52.6 | -163.8 | 39.1 | 0 | 0 | 112.1 | A31 A40 Y41 E47 | A31-Q36 PolarHBondContact N-O 2.9Å; Q36-A40 HydrophobicContact CB-CB 4.02Å; Q36-Y41 HydrophobicContact CB-CD2 4.02Å; Q36-Y41 HydrophobicContact CB-CE2 3.63Å; Q36-Y41 HydrophobicContact CG-CE2 4.41Å; Q36-Y41 WeakPolarHBondContact O-CE2 3.28Å; Q36-E47 PolarHBondContact NE2-OE1 2.74Å; Q36-E47 PolarHBondContact NE2-OE2 3.16Å | ||
| 37 | S | 90.6 | Very high | 86.1 | Confident | 64 Ų | 64 | 57.7 Ų | 57.7 | 45% | 0.448 | 32% | 0.32 | S | S | . | . | trans | -64.1 | 149.9 | 167 | 76.4 | 0 | 0 | 0 | 0 | 110.2 | K39 A40 Y41 | S37-K39 PolarHBondContact O-N 2.96Å; S37-A40 WeakPolarHBondContact O-CB 3.23Å; S37-A40 PolarHBondContact O-N 3.07Å; S37-A40 PolarHBondContact OG-N 3.31Å; S37-Y41 WeakPolarHBondContact O-CD2 3.27Å; S37-Y41 PolarHBondContact O-N 3.21Å | ||
| 38 | I | 86.9 | Confident | 85.8 | Confident | 9 Ų | 9 | 58.4 Ų | 58.4 | 5% | 0.046 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -59 | -36.2 | 178.6 | -58.1 | 169.4 | 0 | 0 | 0 | 111.4 | G28 P30 A40 Y41 L42 W51 L236 G239 A241 | G28-I38 WeakPolarHBondContact O-CD1 3.25Å; P30-I38 HydrophobicContact CG-CG1 4.29Å; I38-A40 VanDerWaalsContact C-N 3.3Å; I38-A40 PolarHBondContact O-N 3.48Å; I38-Y41 PolarHBondContact O-N 2.89Å; I38-L42 HydrophobicContact CG2-CD1 4.18Å; I38-L42 HydrophobicContact CG2-CG 4.3Å; I38-L42 WeakPolarHBondContact O-CG 3.23Å; I38-L42 PolarHBondContact O-N 2.87Å; I38-W51 HydrophobicContact CD1-CH2 4.44Å; I38-W51 HydrophobicContact CG1-CH2 4.39Å; I38-L236 HydrophobicContact CD1-CD2 4.19Å; I38-L236 HydrophobicContact CG2-CD1 4.21Å; I38-L236 HydrophobicContact CG2-CD2 3.58Å; I38-G239 WeakPolarHBondContact CD1-O 3.37Å; I38-A241 HydrophobicContact CD1-CB 3.7Å |
| 39 | K | 85.1 | Confident | 85.8 | Confident | 147 Ų | 147 | 58.5 Ų | 58.5 | 64% | 0.639 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -58.6 | -43.4 | 175.9 | -175.8 | 175.4 | 178.3 | -179.3 | 0 | 111.4 | S37 Y41 L42 D43 | S37-K39 PolarHBondContact O-N 2.96Å; K39-Y41 PolarHBondContact O-N 3.32Å; K39-L42 PolarHBondContact O-N 3.1Å; K39-D43 WeakPolarHBondContact CG-OD2 3.46Å; K39-D43 WeakPolarHBondContact O-CB 3.16Å; K39-D43 PolarHBondContact O-N 2.71Å |
| 40 | A | 85.7 | Confident | 85.9 | Confident | 28 Ų | 28 | 55.9 Ų | 55.9 | 23% | 0.231 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.3 | -39.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q36 S37 I38 L42 D43 S44 | Q36-A40 HydrophobicContact CB-CB 4.02Å; S37-A40 WeakPolarHBondContact O-CB 3.23Å; S37-A40 PolarHBondContact O-N 3.07Å; S37-A40 PolarHBondContact OG-N 3.31Å; I38-A40 VanDerWaalsContact C-N 3.3Å; I38-A40 PolarHBondContact O-N 3.48Å; A40-L42 VanDerWaalsContact C-N 3.34Å; A40-L42 PolarHBondContact O-N 2.73Å; A40-D43 PolarHBondContact O-N 3.02Å; A40-S44 WeakPolarHBondContact O-CB 3.47Å; A40-S44 PolarHBondContact O-N 3.35Å |
| 41 | Y | 82 | Confident | 86 | Confident | 19 Ų | 19 | 55.8 Ų | 55.8 | 8% | 0.075 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61 | -41.6 | 172.9 | -77.8 | -78.9 | 0 | 0 | 0 | 112.5 | P30 Q36 S37 I38 K39 S44 E47 V48 L49 P50 K159 | P30-Y41 HydrophobicContact CB-CE2 4.02Å; P30-Y41 HydrophobicContact CG-CE2 4.24Å; Q36-Y41 HydrophobicContact CB-CD2 4.02Å; Q36-Y41 HydrophobicContact CB-CE2 3.63Å; Q36-Y41 HydrophobicContact CG-CE2 4.41Å; Q36-Y41 WeakPolarHBondContact O-CE2 3.28Å; S37-Y41 WeakPolarHBondContact O-CD2 3.27Å; S37-Y41 PolarHBondContact O-N 3.21Å; I38-Y41 PolarHBondContact O-N 2.89Å; K39-Y41 PolarHBondContact O-N 3.32Å; Y41-S44 CarbonylContact O-C 3.59Å; Y41-S44 PolarHBondContact O-N 3.4Å; Y41-E47 HydrophobicContact CD1-CB 3.58Å; Y41-E47 HydrophobicContact CE1-CB 3.96Å; Y41-E47 WeakPolarHBondContact CE1-OE2 3.41Å; Y41-V48 WeakPolarHBondContact CE1-O 3.48Å; Y41-L49 HydrophobicContact CD1-CD2 4.26Å; Y41-L49 HydrophobicContact CD2-CD2 4.3Å; Y41-L49 HydrophobicContact CG-CD2 3.79Å; Y41-P50 HydrophobicContact CE2-CG 4.5Å; Y41-K159 PolarHBondContact OH-O 3.29Å |
| 42 | L | 81 | Confident | 86.2 | Confident | 51 Ų | 51 | 53.1 Ų | 53.1 | 27% | 0.267 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -75 | -31.3 | -179.1 | -64.8 | 179.5 | 0 | 0 | 0 | 113.1 | I38 K39 A40 F180 L236 | I38-L42 HydrophobicContact CG2-CD1 4.18Å; I38-L42 HydrophobicContact CG2-CG 4.3Å; I38-L42 WeakPolarHBondContact O-CG 3.23Å; I38-L42 PolarHBondContact O-N 2.87Å; K39-L42 PolarHBondContact O-N 3.1Å; A40-L42 VanDerWaalsContact C-N 3.34Å; A40-L42 PolarHBondContact O-N 2.73Å; L42-F180 HydrophobicContact CD1-CD1 4.5Å; L42-F180 HydrophobicContact CD1-CE1 4.31Å; L42-F180 HydrophobicContact CD2-CD1 3.94Å; L42-F180 HydrophobicContact CD2-CE1 4.06Å; L42-F180 HydrophobicContact CD2-CG 4.34Å; L42-L236 HydrophobicContact CD1-CD1 3.49Å; L42-L236 VanDerWaalsContact CD1-CD1 3.49Å; L42-L236 HydrophobicContact CD1-CG 4.3Å |
| 43 | D | 83.1 | Confident | 86.4 | Confident | 115 Ų | 115 | 47.1 Ų | 47.1 | 62% | 0.615 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -75.7 | -32.7 | 174.9 | -66.1 | -18.3 | 0 | 0 | 0 | 110.6 | K39 A40 K45 | K39-D43 WeakPolarHBondContact CG-OD2 3.46Å; K39-D43 WeakPolarHBondContact O-CB 3.16Å; K39-D43 PolarHBondContact O-N 2.71Å; A40-D43 PolarHBondContact O-N 3.02Å; D43-K45 PolarHBondContact O-N 3.46Å |
| 44 | S | 75.6 | Confident | 86.6 | Confident | 37 Ų | 37 | 45.8 Ų | 45.8 | 26% | 0.259 | 26% | 0.259 | S | S | . | . | trans | -84.3 | 92.3 | 174.4 | -173.9 | 0 | 0 | 0 | 0 | 110.7 | A40 Y41 S46 E47 | A40-S44 WeakPolarHBondContact O-CB 3.47Å; A40-S44 PolarHBondContact O-N 3.35Å; Y41-S44 CarbonylContact O-C 3.59Å; Y41-S44 PolarHBondContact O-N 3.4Å; S44-S46 PolarHBondContact O-N 3.21Å; S44-E47 PolarHBondContact O-N 3.37Å; S44-E47 VanDerWaalsContact O-N 3.16Å; S44-E47 WeakPolarHBondContact OG-CG 3.18Å; S44-E47 PolarHBondContact OG-OE1 3.28Å | ||
| 45 | K | 67 | Low | 86.8 | Confident | 184 Ų | 184 | 43 Ų | 43 | 80% | 0.8 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -2.3 | 174.7 | -65.3 | -173 | 178.9 | -179 | 0 | 115.4 | D43 | D43-K45 PolarHBondContact O-N 3.46Š|
| 46 | S | 66.3 | Low | 86.9 | Confident | 66 Ų | 66 | 43.2 Ų | 43.2 | 46% | 0.462 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -8.7 | -175.6 | -81.9 | 0 | 0 | 0 | 0 | 115.2 | S44 R188 | S44-S46 PolarHBondContact O-N 3.21Å; S46-R188 PolarHBondContact O-NH2 3.23Å; S46-R188 PolarHBondContact OG-NH2 3.42Å |
| 47 | E | 79.1 | Confident | 86.9 | Confident | 59 Ų | 59 | 40 Ų | 40 | 28% | 0.276 | 21% | 0.214 | S | C | . | . | trans | -106 | 129.8 | -172.1 | -69.5 | -177.1 | -137.9 | 0 | 0 | 112.6 | Q36 Y41 S44 | Q36-E47 PolarHBondContact NE2-OE1 2.74Å; Q36-E47 PolarHBondContact NE2-OE2 3.16Å; Y41-E47 HydrophobicContact CD1-CB 3.58Å; Y41-E47 HydrophobicContact CE1-CB 3.96Å; Y41-E47 WeakPolarHBondContact CE1-OE2 3.41Å; S44-E47 PolarHBondContact O-N 3.37Å; S44-E47 VanDerWaalsContact O-N 3.16Å; S44-E47 WeakPolarHBondContact OG-CG 3.18Å; S44-E47 PolarHBondContact OG-OE1 3.28Å | ||
| 48 | V | 87.2 | Confident | 86.5 | Confident | 20 Ų | 20 | 44.9 Ų | 44.9 | 12% | 0.121 | 23% | 0.227 | C | C | . | . | trans | -82.1 | 136.9 | 178.6 | -179 | 0 | 0 | 0 | 0 | 109.1 | Y41 T52 D113 L189 | Y41-V48 WeakPolarHBondContact CE1-O 3.48Å; V48-T52 HydrophobicContact CG1-CG2 4.25Å; V48-D113 HydrophobicContact CG2-CB 4.16Å; V48-L189 HydrophobicContact CB-CB 4.5Å; V48-L189 HydrophobicContact CG1-CB 3.87Å; V48-L189 HydrophobicContact CG1-CD2 4.17Å; V48-L189 HydrophobicContact CG2-CB 3.76Å; V48-L189 WeakPolarHBondContact CG2-O 3.49Å | ||
| 49 | L | 93.4 | Very high | 86.2 | Confident | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | trans | -66.1 | 139.1 | 178.9 | -70.5 | 166.2 | 0 | 0 | 0 | 110.7 | Y41 W51 T52 F180 E191 | Y41-L49 HydrophobicContact CD1-CD2 4.26Å; Y41-L49 HydrophobicContact CD2-CD2 4.3Å; Y41-L49 HydrophobicContact CG-CD2 3.79Å; L49-W51 HydrophobicContact CB-CD2 4.23Å; L49-W51 HydrophobicContact CB-CZ2 3.88Å; L49-W51 HydrophobicContact CD1-CZ2 3.67Å; L49-W51 HydrophobicContact CD2-CH2 4Å; L49-W51 HydrophobicContact CD2-CZ2 3.82Å; L49-W51 HydrophobicContact CG-CZ2 4.02Å; L49-W51 PolarHBondContact O-N 3.43Å; L49-W51 VanDerWaalsContact O-N 3.09Å; L49-T52 VanDerWaalsContact O-CB 3.32Å; L49-T52 WeakPolarHBondContact O-CB 3.38Å; L49-T52 PolarHBondContact O-N 2.81Å; L49-T52 PolarHBondContact O-OG1 2.97Å; L49-F180 HydrophobicContact CD1-CD2 3.63Å; L49-F180 HydrophobicContact CD1-CE2 2.99Å; L49-F180 HydrophobicContact CD1-CZ 3.54Å; L49-F180 HydrophobicContact CG-CE2 4.47Å; L49-E191 HydrophobicContact CD1-CB 4.45Å; L49-E191 VanDerWaalsContact CD1-CD 3.49Å; L49-E191 HydrophobicContact CD1-CG 3.54Å; L49-E191 HydrophobicContact CG-CG 3.9Å | ||
| 50 | P | 94.9 | Very high | 86.1 | Confident | 3 Ų | 3 | 48.2 Ų | 48.2 | 2% | 0.019 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -8.8 | -165.3 | 26.8 | -35.3 | 0 | 0 | 0 | 114.6 | P30 Y41 E160 V161 S162 | P30-P50 HydrophobicContact CB-CG 3.65Å; P30-P50 HydrophobicContact CG-CG 3.42Å; P30-P50 VanDerWaalsContact CG-CG 3.42Å; Y41-P50 HydrophobicContact CE2-CG 4.5Å; P50-E160 WeakPolarHBondContact CA-O 3.26Å; P50-E160 VanDerWaalsContact CB-O 3.31Å; P50-E160 WeakPolarHBondContact CB-O 3.37Å; P50-V161 WeakPolarHBondContact O-CA 3.33Å; P50-S162 CarbonylContact C-O 3.55Å; P50-S162 WeakPolarHBondContact CB-OG 3.31Å; P50-S162 WeakPolarHBondContact CG-OG 3.17Å; P50-S162 PolarHBondContact O-N 2.79Å |
| 51 | W | 96.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -17.3 | 170.1 | 46.1 | 76.3 | 0 | 0 | 0 | 113 | P30 I38 L49 V53 S67 I68 S162 V164 F180 V234 A241 | P30-W51 HydrophobicContact CG-CE3 4.49Å; P30-W51 HydrophobicContact CG-CH2 4.48Å; P30-W51 HydrophobicContact CG-CZ3 3.74Å; I38-W51 HydrophobicContact CD1-CH2 4.44Å; I38-W51 HydrophobicContact CG1-CH2 4.39Å; L49-W51 HydrophobicContact CB-CD2 4.23Å; L49-W51 HydrophobicContact CB-CZ2 3.88Å; L49-W51 HydrophobicContact CD1-CZ2 3.67Å; L49-W51 HydrophobicContact CD2-CH2 4Å; L49-W51 HydrophobicContact CD2-CZ2 3.82Å; L49-W51 HydrophobicContact CG-CZ2 4.02Å; L49-W51 PolarHBondContact O-N 3.43Å; L49-W51 VanDerWaalsContact O-N 3.09Å; W51-V53 PolarHBondContact O-N 3.11Å; W51-S67 CarbonylContact O-C 3.51Å; W51-S67 VanDerWaalsContact O-CA 3.28Å; W51-S67 WeakPolarHBondContact O-CA 3.34Å; W51-I68 HydrophobicContact CB-CB 4.49Å; W51-I68 PolarHBondContact O-N 3.05Å; W51-S162 WeakPolarHBondContact CA-O 3.37Å; W51-S162 VanDerWaalsContact CB-O 3.24Å; W51-S162 WeakPolarHBondContact CB-O 3.34Å; W51-S162 PolarHBondContact N-O 2.87Å; W51-V164 HydrophobicContact CB-CB 3.97Å; W51-V164 HydrophobicContact CB-CG1 4.33Å; W51-V164 HydrophobicContact CD2-CB 3.69Å; W51-V164 HydrophobicContact CD2-CG2 4.13Å; W51-V164 HydrophobicContact CE3-CB 4.02Å; W51-V164 HydrophobicContact CE3-CG2 4.44Å; W51-V164 HydrophobicContact CG-CB 3.68Å; W51-V164 HydrophobicContact CG-CG1 4.28Å; W51-V164 HydrophobicContact CG-CG2 4.47Å; W51-V164 HydrophobicContact CZ2-CG2 4.42Å; W51-F180 HydrophobicContact CZ2-CE2 4.12Å; W51-F180 AromaticContact CZ2-CZ 3.93Å; W51-F180 HydrophobicContact CZ2-CZ 3.93Å; W51-V234 HydrophobicContact CZ2-CG1 4.17Å; W51-A241 HydrophobicContact CH2-CB 3.27Å; W51-A241 HydrophobicContact CZ2-CB 3.72Å; W51-A241 HydrophobicContact CZ3-CB 3.96Å |
| 52 | T | 96.5 | Very high | 86.6 | Confident | 3 Ų | 3 | 57.3 Ų | 57.3 | 2% | 0.018 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 128.2 | -174.6 | -56.6 | 0 | 0 | 0 | 0 | 109.2 | V48 L49 L65 S182 L189 E191 | V48-T52 HydrophobicContact CG1-CG2 4.25Å; L49-T52 VanDerWaalsContact O-CB 3.32Å; L49-T52 WeakPolarHBondContact O-CB 3.38Å; L49-T52 PolarHBondContact O-N 2.81Å; L49-T52 PolarHBondContact O-OG1 2.97Å; T52-L65 HydrophobicContact CG2-CD2 4.37Å; T52-S182 PolarHBondContact OG1-OG 3.48Å; T52-L189 HydrophobicContact CG2-CD2 3.93Å; T52-E191 PolarHBondContact OG1-OE1 2.89Å |
| 53 | V | 97.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 156.2 | 177.2 | -55 | 0 | 0 | 0 | 0 | 111.4 | W51 L65 G66 I68 I85 V108 F109 A110 F155 | W51-V53 PolarHBondContact O-N 3.11Å; V53-L65 CarbonylContact O-C 3.56Å; V53-L65 VanDerWaalsContact O-CA 3.23Å; V53-L65 WeakPolarHBondContact O-CA 3.23Å; V53-G66 VanDerWaalsContact CG2-C 3.45Å; V53-G66 PolarHBondContact N-O 3.18Å; V53-G66 PolarHBondContact O-N 3.21Å; V53-I68 HydrophobicContact CG1-CD1 3.94Å; V53-I68 HydrophobicContact CG1-CG1 3.52Å; V53-I85 HydrophobicContact CG1-CD1 4.27Å; V53-I85 HydrophobicContact CG2-CG2 3.52Å; V53-V108 HydrophobicContact CB-CG1 3.81Å; V53-V108 HydrophobicContact CG1-CG1 4.31Å; V53-V108 HydrophobicContact CG2-CG1 3.72Å; V53-F109 CarbonylContact C-O 3.53Å; V53-F109 WeakPolarHBondContact CA-O 3.44Å; V53-F109 VanDerWaalsContact CB-O 3.22Å; V53-F109 WeakPolarHBondContact CB-O 3.04Å; V53-A110 HydrophobicContact CG1-CB 3.84Å; V53-F155 HydrophobicContact CG1-CE2 4.24Å |
| 54 | A | 96.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 138.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111 | V108 F109 L115 L189 | A54-V108 CarbonylContact O-C 3.55Å; A54-V108 WeakPolarHBondContact O-CA 3.37Å; A54-F109 PolarHBondContact N-O 3.35Å; A54-F109 PolarHBondContact O-N 3.23Å; A54-L115 HydrophobicContact CB-CD1 3.61Å; A54-L115 HydrophobicContact CB-CD2 3.71Å; A54-L115 HydrophobicContact CB-CG 4.07Å; A54-L189 HydrophobicContact CB-CD2 4.31Å |
| 55 | I | 96.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 125.1 | 176.5 | -52.9 | 179.9 | 0 | 0 | 0 | 108.3 | K63 C64 T87 F92 Y106 V108 | I55-K63 HydrophobicContact CG2-CB 4.5Å; I55-K63 WeakPolarHBondContact O-CB 3.08Å; I55-K63 PolarHBondContact O-N 3.09Å; I55-C64 HydrophobicContact CB-CB 4.42Å; I55-C64 HydrophobicContact CD1-CB 4.38Å; I55-C64 PolarHBondContact N-O 2.88Å; I55-C64 PolarHBondContact O-N 3.16Å; I55-T87 HydrophobicContact CD1-CG2 3.76Å; I55-F92 HydrophobicContact CD1-CZ 4.01Å; I55-F92 HydrophobicContact CG2-CE1 4.29Å; I55-Y106 HydrophobicContact CG2-CD1 4.31Å; I55-V108 HydrophobicContact CG1-CG2 4.32Å |
| 56 | R | 93.5 | Very high | 90.2 | Very high | 20 Ų | 20 | 42.8 Ų | 42.8 | 8% | 0.075 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 149 | 171 | -64.1 | -177.3 | 175.3 | 176.8 | 6.3 | 110.7 | G60 R61 Y106 K107 F109 R116 | R56-G60 VanDerWaalsContact CD-O 3.31Å; R56-G60 WeakPolarHBondContact CD-O 3.3Å; R56-R61 VanDerWaalsContact CA-O 3.31Å; R56-R61 WeakPolarHBondContact CA-O 3.32Å; R56-Y106 CarbonylContact O-C 3.46Å; R56-Y106 VanDerWaalsContact O-CA 3.28Å; R56-Y106 WeakPolarHBondContact O-CA 3.49Å; R56-K107 PolarHBondContact N-O 2.92Å; R56-K107 PolarHBondContact O-N 3.24Å; R56-F109 HydrophobicContact CB-CE2 4Å; R56-F109 HydrophobicContact CG-CD2 4.2Å; R56-F109 HydrophobicContact CG-CE2 3.83Å; R56-R116 PolarHBondContact NH1-O 2.89Å; R56-R116 PolarHBondContact NH2-O 2.96Å |
| 57 | G | 92 | Very high | 91.8 | Very high | 12 Ų | 12 | 39.7 Ų | 39.7 | 12% | 0.124 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 176.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F59 G60 R61 S105 | G57-F59 PolarHBondContact O-N 3.03Å; G57-G60 PolarHBondContact O-N 3.21Å; G57-R61 PolarHBondContact N-O 2.97Å; G57-S105 CarbonylContact C-O 3.54Å; G57-S105 WeakPolarHBondContact CA-O 3.25Å |
| 58 | K | 81.4 | Confident | 92.7 | Very high | 168 Ų | 168 | 36.9 Ų | 36.9 | 73% | 0.73 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -47.8 | -31.1 | -177.8 | -166.4 | 175.7 | -177.9 | 178.4 | 0 | 115.4 | S105 | K58-S105 PolarHBondContact N-O 3.49Š|
| 59 | F | 80.5 | Confident | 93.1 | Very high | 184 Ų | 184 | 36.2 Ų | 36.2 | 81% | 0.807 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | 21.3 | -179.3 | -55.6 | -67 | 0 | 0 | 0 | 113.9 | G57 R61 | G57-F59 PolarHBondContact O-N 3.03Å; F59-R61 PolarHBondContact O-N 3.39Å |
| 60 | G | 82 | Confident | 93.1 | Very high | 41 Ų | 41 | 37.2 Ų | 37.2 | 42% | 0.423 | 17% | 0.174 | S | C | . | . | S | Bend | trans | 71.3 | -3.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | R56 G57 F62 | R56-G60 VanDerWaalsContact CD-O 3.31Å; R56-G60 WeakPolarHBondContact CD-O 3.3Å; G57-G60 PolarHBondContact O-N 3.21Å; G60-F62 PolarHBondContact O-N 3.13Å |
| 61 | R | 87.2 | Confident | 92.8 | Very high | 193 Ų | 193 | 39.2 Ų | 39.2 | 73% | 0.728 | 18% | 0.184 | S | C | * | . | trans | -65.2 | 129.8 | 175 | -71.4 | -176.5 | 165.9 | 178.7 | -4.7 | 110.4 | R56 G57 F59 | R56-R61 VanDerWaalsContact CA-O 3.31Å; R56-R61 WeakPolarHBondContact CA-O 3.32Å; G57-R61 PolarHBondContact N-O 2.97Å; F59-R61 PolarHBondContact O-N 3.39Å | ||
| 62 | F | 91.7 | Very high | 91.8 | Very high | 45 Ų | 45 | 43.8 Ų | 43.8 | 20% | 0.197 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.9 | 140.1 | 168.4 | 173.4 | -97.4 | 0 | 0 | 0 | 110 | G60 C64 L65 L115 Y184 | G60-F62 PolarHBondContact O-N 3.13Å; F62-C64 VanDerWaalsContact CE2-C 3.47Å; F62-C64 WeakPolarHBondContact CE2-O 3.08Å; F62-C64 VanDerWaalsContact CZ-C 3.44Å; F62-L65 HydrophobicContact CE2-CD2 3.97Å; F62-L65 HydrophobicContact CE2-CG 4.22Å; F62-L65 HydrophobicContact CZ-CD2 4.21Å; F62-L65 HydrophobicContact CZ-CG 3.98Å; F62-L115 HydrophobicContact CB-CD1 4.4Å; F62-L115 HydrophobicContact CD2-CD1 3.52Å; F62-L115 HydrophobicContact CE2-CD1 4.25Å; F62-L115 HydrophobicContact CG-CD1 4.36Å; F62-Y184 HydrophobicContact CB-CE1 3.89Å; F62-Y184 AromaticContact CD1-CD1 3.52Å; F62-Y184 HydrophobicContact CD1-CD1 3.52Å; F62-Y184 AromaticContact CD1-CE1 3.63Å; F62-Y184 HydrophobicContact CD1-CE1 3.63Å; F62-Y184 HydrophobicContact CD1-CG 4.31Å; F62-Y184 AromaticContact CD2-CD1 3.99Å; F62-Y184 HydrophobicContact CD2-CD1 3.99Å; F62-Y184 HydrophobicContact CD2-CD2 4.3Å; F62-Y184 AromaticContact CD2-CE1 3.97Å; F62-Y184 HydrophobicContact CD2-CE1 3.97Å; F62-Y184 HydrophobicContact CD2-CE2 4.28Å; F62-Y184 HydrophobicContact CD2-CG 4.12Å; F62-Y184 AromaticContact CE1-CD1 3.48Å; F62-Y184 HydrophobicContact CE1-CD1 3.48Å; F62-Y184 VanDerWaalsContact CE1-CD1 3.48Å; F62-Y184 HydrophobicContact CE1-CE1 4.1Å; F62-Y184 AromaticContact CE1-CG 3.98Å; F62-Y184 HydrophobicContact CE1-CG 3.98Å; F62-Y184 AromaticContact CE2-CD1 3.93Å; F62-Y184 HydrophobicContact CE2-CD1 3.93Å; F62-Y184 HydrophobicContact CE2-CD2 4.1Å; F62-Y184 HydrophobicContact CE2-CE1 4.39Å; F62-Y184 AromaticContact CE2-CG 3.75Å; F62-Y184 HydrophobicContact CE2-CG 3.75Å; F62-Y184 AromaticContact CG-CD1 3.76Å; F62-Y184 HydrophobicContact CG-CD1 3.76Å; F62-Y184 AromaticContact CG-CE1 3.54Å; F62-Y184 HydrophobicContact CG-CE1 3.54Å; F62-Y184 HydrophobicContact CG-CG 4.37Å; F62-Y184 AromaticContact CG-CZ 3.98Å; F62-Y184 AromaticContact CZ-CD1 3.67Å; F62-Y184 HydrophobicContact CZ-CD1 3.67Å; F62-Y184 HydrophobicContact CZ-CD2 4.46Å; F62-Y184 HydrophobicContact CZ-CE1 4.43Å; F62-Y184 AromaticContact CZ-CG 3.66Å; F62-Y184 HydrophobicContact CZ-CG 3.66Å |
| 63 | K | 93 | Very high | 90.3 | Very high | 83 Ų | 83 | 46 Ų | 46 | 36% | 0.361 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | -51.8 | 178.4 | -72.4 | -63 | -170.8 | 175.9 | 0 | 111.7 | I55 | I55-K63 HydrophobicContact CG2-CB 4.5Å; I55-K63 WeakPolarHBondContact O-CB 3.08Å; I55-K63 PolarHBondContact O-N 3.09Å |
| 64 | C | 95.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 168.2 | -172.7 | -74.2 | 0 | 0 | 0 | 0 | 111.3 | I55 F62 C91 L229 | I55-C64 HydrophobicContact CB-CB 4.42Å; I55-C64 HydrophobicContact CD1-CB 4.38Å; I55-C64 PolarHBondContact N-O 2.88Å; I55-C64 PolarHBondContact O-N 3.16Å; F62-C64 VanDerWaalsContact CE2-C 3.47Å; F62-C64 WeakPolarHBondContact CE2-O 3.08Å; F62-C64 VanDerWaalsContact CZ-C 3.44Å; C64-C91 HydrophobicContact CB-CB 3.75Å; C64-C91 WeakPolarHBondContact CB-SG 3.08Å; C64-C91 WeakPolarHBondContact SG-CA 3.49Å; C64-C91 WeakPolarHBondContact SG-CB 3.09Å; C64-C91 CovalentContact SG-SG 2Å; C64-C91 PolarHBondContact SG-SG 2.82Å; C64-L229 WeakPolarHBondContact CA-O 3.34Å; C64-L229 VanDerWaalsContact CB-O 3.29Å; C64-L229 WeakPolarHBondContact CB-O 3.38Å; C64-L229 VanDerWaalsContact SG-CD2 3.58Å |
| 65 | L | 97 | Very high | 86.5 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 176.7 | 160.7 | -63.3 | 169.2 | 0 | 0 | 0 | 110.8 | T52 V53 F62 T87 S182 L189 L229 G230 | T52-L65 HydrophobicContact CG2-CD2 4.37Å; V53-L65 CarbonylContact O-C 3.56Å; V53-L65 VanDerWaalsContact O-CA 3.23Å; V53-L65 WeakPolarHBondContact O-CA 3.23Å; F62-L65 HydrophobicContact CE2-CD2 3.97Å; F62-L65 HydrophobicContact CE2-CG 4.22Å; F62-L65 HydrophobicContact CZ-CD2 4.21Å; F62-L65 HydrophobicContact CZ-CG 3.98Å; L65-T87 PolarHBondContact O-OG1 3.47Å; L65-S182 VanDerWaalsContact CD1-C 3.42Å; L65-S182 WeakPolarHBondContact CD1-O 3.43Å; L65-L189 HydrophobicContact CD2-CD2 3.99Å; L65-L189 HydrophobicContact CD2-CG 4.01Å; L65-L229 PolarHBondContact N-O 2.92Å; L65-G230 CarbonylContact C-O 3.48Å; L65-G230 CarbonylContact O-C 3.56Å |
| 66 | G | 98 | Very high | 85.1 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.4 | -171.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | V53 L86 G230 | V53-G66 VanDerWaalsContact CG2-C 3.45Å; V53-G66 PolarHBondContact N-O 3.18Å; V53-G66 PolarHBondContact O-N 3.21Å; G66-L86 CarbonylContact C-O 3.44Å; G66-L86 WeakPolarHBondContact CA-O 3.05Å; G66-G230 WeakPolarHBondContact CA-O 3.41Å |
| 67 | S | 98.4 | Very high | 83.9 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 139.7 | -177.5 | 40.2 | 0 | 0 | 0 | 0 | 111.8 | W51 I85 L86 Q243 | W51-S67 CarbonylContact O-C 3.51Å; W51-S67 VanDerWaalsContact O-CA 3.28Å; W51-S67 WeakPolarHBondContact O-CA 3.34Å; S67-I85 CarbonylContact O-C 3.49Å; S67-I85 VanDerWaalsContact O-CA 3.24Å; S67-I85 WeakPolarHBondContact O-CA 3.14Å; S67-L86 PolarHBondContact N-O 3.29Å; S67-L86 PolarHBondContact O-N 3.48Å; S67-L86 PolarHBondContact OG-O 2.95Å; S67-Q243 VanDerWaalsContact OG-CD 3.31Å; S67-Q243 PolarHBondContact OG-NE2 3.01Å; S67-Q243 PolarHBondContact OG-OE1 2.98Å |
| 68 | I | 98.1 | Very high | 82.8 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 125.1 | 170.3 | -54.1 | 171.1 | 0 | 0 | 0 | 108.5 | W51 V53 I85 A110 F155 F157 V161 P163 V164 | W51-I68 HydrophobicContact CB-CB 4.49Å; W51-I68 PolarHBondContact O-N 3.05Å; V53-I68 HydrophobicContact CG1-CD1 3.94Å; V53-I68 HydrophobicContact CG1-CG1 3.52Å; I68-I85 HydrophobicContact CB-CD1 4.45Å; I68-I85 HydrophobicContact CG1-CD1 3.85Å; I68-A110 HydrophobicContact CD1-CB 3.94Å; I68-F155 HydrophobicContact CD1-CD2 3.81Å; I68-F155 HydrophobicContact CG1-CD2 4.12Å; I68-F157 HydrophobicContact CG2-CE1 3.91Å; I68-F157 HydrophobicContact CG2-CZ 4.46Å; I68-V161 HydrophobicContact CD1-CG1 3.44Å; I68-V161 VanDerWaalsContact CD1-CG1 3.44Å; I68-P163 HydrophobicContact CG2-CB 4.19Å; I68-P163 CarbonylContact O-C 3.08Å; I68-P163 VanDerWaalsContact O-CA 3.31Å; I68-P163 WeakPolarHBondContact O-CA 3.31Å; I68-V164 PolarHBondContact O-N 2.84Å |
| 69 | I | 95.9 | Very high | 82.9 | Confident | 6 Ų | 6 | 67.5 Ų | 67.5 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | trans | -112.2 | 153.5 | 175.8 | 61.3 | 162.9 | 0 | 0 | 0 | 110.6 | S82 L84 L86 L148 V164 V166 L274 | I69-S82 VanDerWaalsContact O-CB 3.23Å; I69-S82 WeakPolarHBondContact O-CB 3.46Å; I69-S82 PolarHBondContact O-OG 3.32Å; I69-L84 HydrophobicContact CD1-CB 3.98Å; I69-L84 HydrophobicContact CD1-CD1 4.37Å; I69-L84 HydrophobicContact CG1-CB 3.54Å; I69-L84 PolarHBondContact N-O 3.32Å; I69-L86 HydrophobicContact CD1-CD1 4.1Å; I69-L86 HydrophobicContact CD1-CD2 4.25Å; I69-L86 HydrophobicContact CD1-CG 3.78Å; I69-L86 HydrophobicContact CG1-CG 4.28Å; I69-L86 HydrophobicContact CG2-CB 4.29Å; I69-L86 HydrophobicContact CG2-CD1 3.6Å; I69-L86 HydrophobicContact CG2-CG 3.78Å; I69-L148 HydrophobicContact CD1-CD1 3.85Å; I69-V164 HydrophobicContact CG2-CG1 4.37Å; I69-V166 HydrophobicContact CB-CG2 3.75Å; I69-V166 HydrophobicContact CG2-CG2 3.4Å; I69-L274 HydrophobicContact CD1-CD2 4.2Å | ||
| 70 | P | 92.9 | Very high | 83.5 | Confident | 23 Ų | 23 | 63.9 Ų | 63.9 | 15% | 0.149 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 144.7 | -179.4 | 24.5 | -34.3 | 0 | 0 | 0 | 112.4 | C27 H78 V164 | C27-P70 HydrophobicContact CB-CB 4.48Å; C27-P70 HydrophobicContact CB-CG 4.2Å; P70-H78 VanDerWaalsContact CB-CE1 3.41Å; P70-H78 WeakPolarHBondContact CB-CE1 3.02Å; P70-H78 WeakPolarHBondContact CB-ND1 3.36Å; P70-V164 WeakPolarHBondContact CD-O 3.5Å |
| 71 | E | 88.2 | Confident | 84.1 | Confident | 45 Ų | 45 | 62.7 Ų | 62.7 | 21% | 0.21 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -103.6 | 123.1 | 162.7 | -173.8 | 178.2 | -130.4 | 0 | 0 | 107.6 | R79 L84 | E71-R79 PolarHBondContact O-N 3.3Å; E71-R79 WeakPolarHBondContact OE2-CD 3.07Å; E71-R79 IonicContact OE2-CZ 3.71Å; E71-R79 IonicContact OE2-NE 3.8Å; E71-R79 IonicContact OE2-NH1 2.92Å; E71-R79 PolarHBondContact OE2-NH1 2.83Å; E71-L84 HydrophobicContact CB-CD1 4.29Å; E71-L84 HydrophobicContact CG-CD1 4.47Å |
| 72 | N | 77.2 | Confident | 84.5 | Confident | 97 Ų | 97 | 53.5 Ų | 53.5 | 52% | 0.519 | 26% | 0.26 | S | S | . | . | B | Isolated β-bridge | trans | -83.8 | 137.7 | 173.5 | -63.4 | -7.8 | 0 | 0 | 0 | 108.8 | R77 H78 | N72-R77 CarbonylContact C-O 3.39Å; N72-H78 PolarHBondContact OD1-CE1 3.42Å |
| 73 | D | 64.3 | Low | 84.7 | Confident | 50 Ų | 50 | 54.3 Ų | 54.3 | 27% | 0.267 | 26% | 0.263 | S | S | . | . | trans | -71 | 175.4 | 168.2 | 79 | 6.3 | 0 | 0 | 0 | 110.9 | N75 G76 R77 R79 | D73-N75 PolarHBondContact O-N 3.18Å; D73-N75 VanDerWaalsContact O-N 3.08Å; D73-N75 VanDerWaalsContact OD1-C 3.27Å; D73-N75 VanDerWaalsContact OD1-CA 3.29Å; D73-N75 WeakPolarHBondContact OD1-CA 3.26Å; D73-N75 WeakPolarHBondContact OD1-CB 3.08Å; D73-N75 PolarHBondContact OD1-N 2.97Å; D73-G76 PolarHBondContact O-N 2.86Å; D73-G76 PolarHBondContact OD1-N 3.07Å; D73-R77 WeakPolarHBondContact CB-O 3.5Å; D73-R77 PolarHBondContact N-O 3.2Å; D73-R77 WeakPolarHBondContact OD1-CA 2.97Å; D73-R77 PolarHBondContact OD1-N 2.92Å; D73-R77 WeakPolarHBondContact OD2-CB 3.37Å; D73-R77 IonicContact OD2-NE 3.83Å; D73-R79 HydrophobicContact CB-CG 4.22Å | ||
| 74 | F | 54.8 | Low | 84.9 | Confident | 219 Ų | 219 | 51.9 Ų | 51.9 | 96% | 0.961 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -22.8 | -179.7 | -65.9 | -77.1 | 0 | 0 | 0 | 113.5 | ||
| 75 | N | 59.8 | Low | 85.1 | Confident | 113 Ų | 113 | 51.9 Ų | 51.9 | 60% | 0.604 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | 8 | 179.7 | -63.4 | 5.3 | 0 | 0 | 0 | 111.8 | D73 R77 | D73-N75 PolarHBondContact O-N 3.18Å; D73-N75 VanDerWaalsContact O-N 3.08Å; D73-N75 VanDerWaalsContact OD1-C 3.27Å; D73-N75 VanDerWaalsContact OD1-CA 3.29Å; D73-N75 WeakPolarHBondContact OD1-CA 3.26Å; D73-N75 WeakPolarHBondContact OD1-CB 3.08Å; D73-N75 PolarHBondContact OD1-N 2.97Å; N75-R77 VanDerWaalsContact C-N 3.27Å; N75-R77 PolarHBondContact ND2-NH2 3.46Å; N75-R77 PolarHBondContact O-N 3.22Å |
| 76 | G | 65.7 | Low | 85.1 | Confident | 34 Ų | 34 | 51.9 Ų | 51.9 | 35% | 0.351 | 25% | 0.254 | S | S | . | . | S | Bend | trans | 78 | 4.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | D73 | D73-G76 PolarHBondContact O-N 2.86Å; D73-G76 PolarHBondContact OD1-N 3.07Å |
| 77 | R | 68.7 | Low | 85.1 | Confident | 135 Ų | 135 | 51.9 Ų | 51.9 | 51% | 0.509 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -81.5 | 140.8 | 177.7 | -61.2 | -176.8 | -76.8 | -148.1 | -4 | 111.2 | V23 N72 D73 N75 R79 | V23-R77 HydrophobicContact CG1-CB 4.5Å; V23-R77 HydrophobicContact CG1-CG 4.23Å; N72-R77 CarbonylContact C-O 3.39Å; D73-R77 WeakPolarHBondContact CB-O 3.5Å; D73-R77 PolarHBondContact N-O 3.2Å; D73-R77 WeakPolarHBondContact OD1-CA 2.97Å; D73-R77 PolarHBondContact OD1-N 2.92Å; D73-R77 WeakPolarHBondContact OD2-CB 3.37Å; D73-R77 IonicContact OD2-NE 3.83Å; N75-R77 VanDerWaalsContact C-N 3.27Å; N75-R77 PolarHBondContact ND2-NH2 3.46Å; N75-R77 PolarHBondContact O-N 3.22Å; R77-R79 PolarHBondContact O-N 3.23Å |
| 78 | H | 69.5 | Low | 85 | Confident | 43 Ų | 43 | 51.9 Ų | 51.9 | 20% | 0.199 | 25% | 0.254 | C | S | . | . | B | Isolated β-bridge | trans | -66.7 | 132.4 | 174.7 | -71.2 | -86.4 | 0 | 0 | 0 | 110.6 | S25 P70 N72 | S25-H78 WeakPolarHBondContact CB-NE2 3.17Å; P70-H78 VanDerWaalsContact CB-CE1 3.41Å; P70-H78 WeakPolarHBondContact CB-CE1 3.02Å; P70-H78 WeakPolarHBondContact CB-ND1 3.36Å; N72-H78 PolarHBondContact OD1-CE1 3.42Å |
| 79 | R | 83.4 | Confident | 84.9 | Confident | 107 Ų | 107 | 51.9 Ų | 51.9 | 40% | 0.404 | 25% | 0.254 | S | S | . | . | P | Polyproline II helix | trans | -77.7 | 150.1 | 169.2 | -58.3 | -178.7 | 75 | -178.6 | 9.6 | 109.5 | E71 D73 R77 S81 F157 | E71-R79 PolarHBondContact O-N 3.3Å; E71-R79 WeakPolarHBondContact OE2-CD 3.07Å; E71-R79 IonicContact OE2-CZ 3.71Å; E71-R79 IonicContact OE2-NE 3.8Å; E71-R79 IonicContact OE2-NH1 2.92Å; E71-R79 PolarHBondContact OE2-NH1 2.83Å; D73-R79 HydrophobicContact CB-CG 4.22Å; R77-R79 PolarHBondContact O-N 3.23Å; R79-S81 WeakPolarHBondContact CB-O 3.2Å; R79-S81 PolarHBondContact O-N 3.46Å; R79-F157 WeakPolarHBondContact O-CE2 3.36Å |
| 80 | N | 91.6 | Very high | 84.8 | Confident | 108 Ų | 108 | 52.3 Ų | 52.3 | 58% | 0.578 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -73.5 | 24.9 | 170.1 | -70.2 | -20.5 | 0 | 0 | 0 | 113.1 | F157 | N80-F157 PolarHBondContact O-N 3Š|
| 81 | S | 94.9 | Very high | 84.9 | Confident | 16 Ų | 16 | 51.4 Ų | 51.4 | 11% | 0.112 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.6 | 157 | -178.5 | 70.2 | 0 | 0 | 0 | 0 | 109.6 | R79 F155 F157 | R79-S81 WeakPolarHBondContact CB-O 3.2Å; R79-S81 PolarHBondContact O-N 3.46Å; S81-F155 CarbonylContact C-O 3.6Å; S81-F155 WeakPolarHBondContact CA-O 3.49Å; S81-F155 WeakPolarHBondContact CB-O 3.38Å; S81-F157 VanDerWaalsContact C-CZ 3.47Å |
| 82 | S | 95.8 | Very high | 85.2 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 144.8 | 174.2 | 178.1 | 0 | 0 | 0 | 0 | 112.5 | I69 L84 P154 F155 | I69-S82 VanDerWaalsContact O-CB 3.23Å; I69-S82 WeakPolarHBondContact O-CB 3.46Å; I69-S82 PolarHBondContact O-OG 3.32Å; S82-L84 PolarHBondContact OG-N 3.47Å; S82-P154 CarbonylContact O-C 3.58Å; S82-P154 VanDerWaalsContact O-CA 3.27Å; S82-P154 WeakPolarHBondContact O-CA 3.35Å; S82-F155 PolarHBondContact N-O 3.18Å; S82-F155 PolarHBondContact O-N 2.96Å |
| 83 | K | 97 | Very high | 86 | Confident | 62 Ų | 62 | 46.8 Ų | 46.8 | 27% | 0.27 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | -6.4 | 171.2 | -60.8 | -179.3 | -180 | 177.4 | 0 | 112.8 | T150 L151 P154 | K83-T150 HydrophobicContact CB-CG2 4.38Å; K83-T150 WeakPolarHBondContact O-CA 3.4Å; K83-L151 HydrophobicContact CB-CB 4.38Å; K83-L151 WeakPolarHBondContact O-CG 3.27Å; K83-L151 PolarHBondContact O-N 2.92Å; K83-P154 HydrophobicContact CG-CB 3.67Å; K83-P154 HydrophobicContact CG-CG 4.49Å |
| 84 | L | 97.1 | Very high | 87 | Confident | 32 Ų | 32 | 48 Ų | 48 | 17% | 0.168 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 124.5 | -163.1 | -60.1 | -178.5 | 0 | 0 | 0 | 110.8 | I69 E71 S82 L148 V149 | I69-L84 HydrophobicContact CD1-CB 3.98Å; I69-L84 HydrophobicContact CD1-CD1 4.37Å; I69-L84 HydrophobicContact CG1-CB 3.54Å; I69-L84 PolarHBondContact N-O 3.32Å; E71-L84 HydrophobicContact CB-CD1 4.29Å; E71-L84 HydrophobicContact CG-CD1 4.47Å; S82-L84 PolarHBondContact OG-N 3.47Å; L84-L148 HydrophobicContact CB-CD1 4.27Å; L84-L148 HydrophobicContact CD2-CD1 4.43Å; L84-V149 WeakPolarHBondContact CA-O 3.02Å |
| 85 | I | 98.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 126.8 | 177.6 | -47.6 | -65.6 | 0 | 0 | 0 | 109.3 | V53 S67 I68 V108 V149 L151 F155 | V53-I85 HydrophobicContact CG1-CD1 4.27Å; V53-I85 HydrophobicContact CG2-CG2 3.52Å; S67-I85 CarbonylContact O-C 3.49Å; S67-I85 VanDerWaalsContact O-CA 3.24Å; S67-I85 WeakPolarHBondContact O-CA 3.14Å; I68-I85 HydrophobicContact CB-CD1 4.45Å; I68-I85 HydrophobicContact CG1-CD1 3.85Å; I85-V108 HydrophobicContact CD1-CG1 4.37Å; I85-V108 HydrophobicContact CG1-CG1 4.22Å; I85-V149 HydrophobicContact CB-CB 4.09Å; I85-V149 PolarHBondContact N-O 2.99Å; I85-V149 PolarHBondContact O-N 3Å; I85-L151 HydrophobicContact CD1-CD1 4.15Å; I85-L151 HydrophobicContact CG1-CD1 4.05Å; I85-L151 HydrophobicContact CG1-CD2 4.41Å; I85-L151 HydrophobicContact CG1-CG 4.13Å; I85-F155 HydrophobicContact CD1-CD2 4.07Å; I85-F155 HydrophobicContact CD1-CE2 3.9Å |
| 86 | L | 98 | Very high | 89.2 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 135.4 | 168.8 | -73.5 | -178.1 | 0 | 0 | 0 | 110.7 | G66 S67 I69 L148 V166 V246 V270 V273 L274 | G66-L86 CarbonylContact C-O 3.44Å; G66-L86 WeakPolarHBondContact CA-O 3.05Å; S67-L86 PolarHBondContact N-O 3.29Å; S67-L86 PolarHBondContact O-N 3.48Å; S67-L86 PolarHBondContact OG-O 2.95Å; I69-L86 HydrophobicContact CD1-CD1 4.1Å; I69-L86 HydrophobicContact CD1-CD2 4.25Å; I69-L86 HydrophobicContact CD1-CG 3.78Å; I69-L86 HydrophobicContact CG1-CG 4.28Å; I69-L86 HydrophobicContact CG2-CB 4.29Å; I69-L86 HydrophobicContact CG2-CD1 3.6Å; I69-L86 HydrophobicContact CG2-CG 3.78Å; L86-L148 HydrophobicContact CD2-CB 4.37Å; L86-L148 HydrophobicContact CD2-CD1 3.75Å; L86-L148 HydrophobicContact CG-CD1 4.41Å; L86-V166 HydrophobicContact CD1-CG2 4.29Å; L86-V246 HydrophobicContact CB-CG2 4.43Å; L86-V270 HydrophobicContact CD1-CB 4.18Å; L86-V270 HydrophobicContact CD1-CG1 3.87Å; L86-V273 HydrophobicContact CD2-CG1 3.53Å; L86-L274 HydrophobicContact CD2-CD2 4.34Å |
| 87 | T | 98 | Very high | 90.1 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | -175.4 | -179.6 | -171.6 | 0 | 0 | 0 | 0 | 110.7 | I55 L65 C91 F92 I146 A147 V149 V246 | I55-T87 HydrophobicContact CD1-CG2 3.76Å; L65-T87 PolarHBondContact O-OG1 3.47Å; T87-C91 PolarHBondContact OG1-SG 2.88Å; T87-F92 HydrophobicContact CG2-CE2 3.61Å; T87-F92 HydrophobicContact CG2-CZ 3.86Å; T87-I146 WeakPolarHBondContact O-CG2 3.34Å; T87-A147 HydrophobicContact CG2-CB 4.02Å; T87-A147 PolarHBondContact N-O 3.29Å; T87-A147 PolarHBondContact O-N 2.04Å; T87-V149 HydrophobicContact CG2-CG2 4.01Å; T87-V246 VanDerWaalsContact C-CG1 3.45Å |
| 88 | A | 96.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 147.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | S90 C91 L229 V246 L248 | A88-S90 VanDerWaalsContact C-N 3.27Å; A88-S90 PolarHBondContact O-N 2.87Å; A88-C91 VanDerWaalsContact O-CB 3.27Å; A88-C91 WeakPolarHBondContact O-CB 3.37Å; A88-C91 PolarHBondContact O-N 3.45Å; A88-C91 PolarHBondContact O-SG 3.47Å; A88-L229 HydrophobicContact CB-CD1 3.94Å; A88-L229 HydrophobicContact CB-CG 4.27Å; A88-V246 HydrophobicContact CB-CG1 4.25Å; A88-L248 HydrophobicContact CB-CD2 3.53Å |
| 89 | G | 95.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -64.6 | -33.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | C91 F92 W100 N144 G145 | G89-C91 PolarHBondContact O-N 2.94Å; G89-F92 PolarHBondContact O-N 3.06Å; G89-W100 WeakPolarHBondContact O-CZ3 3.48Å; G89-N144 WeakPolarHBondContact CA-O 3.5Å; G89-G145 PolarHBondContact N-O 3.01Å |
| 90 | S | 94.1 | Very high | 92.3 | Very high | 14 Ų | 14 | 54 Ų | 54 | 10% | 0.098 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -55.7 | -23.2 | 178.4 | -60 | 0 | 0 | 0 | 0 | 113.2 | A88 F92 R93 N141 N144 | A88-S90 VanDerWaalsContact C-N 3.27Å; A88-S90 PolarHBondContact O-N 2.87Å; S90-F92 PolarHBondContact O-N 2.96Å; S90-R93 PolarHBondContact O-N 3.2Å; S90-N141 PolarHBondContact OG-O 2Å; S90-N144 VanDerWaalsContact OG-CB 3.3Å; S90-N144 WeakPolarHBondContact OG-CB 3.34Å; S90-N144 PolarHBondContact OG-ND2 2.9Å |
| 91 | C | 94.8 | Very high | 92.4 | Very high | 4 Ų | 4 | 49.1 Ų | 49.1 | 3% | 0.027 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -58.6 | -28.4 | 174.8 | -54.9 | 0 | 0 | 0 | 0 | 113.6 | C64 T87 A88 G89 Y106 | C64-C91 HydrophobicContact CB-CB 3.75Å; C64-C91 WeakPolarHBondContact CB-SG 3.08Å; C64-C91 WeakPolarHBondContact SG-CA 3.49Å; C64-C91 WeakPolarHBondContact SG-CB 3.09Å; C64-C91 CovalentContact SG-SG 2Å; C64-C91 PolarHBondContact SG-SG 2.82Å; T87-C91 PolarHBondContact OG1-SG 2.88Å; A88-C91 VanDerWaalsContact O-CB 3.27Å; A88-C91 WeakPolarHBondContact O-CB 3.37Å; A88-C91 PolarHBondContact O-N 3.45Å; A88-C91 PolarHBondContact O-SG 3.47Å; G89-C91 PolarHBondContact O-N 2.94Å; C91-Y106 WeakPolarHBondContact O-CE1 3.3Å |
| 92 | F | 95.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -108.8 | 4.1 | -173.5 | -50.6 | -65.7 | 0 | 0 | 0 | 113.3 | I55 T87 G89 S90 W100 G101 Y106 I130 I132 A147 V149 L287 | I55-F92 HydrophobicContact CD1-CZ 4.01Å; I55-F92 HydrophobicContact CG2-CE1 4.29Å; T87-F92 HydrophobicContact CG2-CE2 3.61Å; T87-F92 HydrophobicContact CG2-CZ 3.86Å; G89-F92 PolarHBondContact O-N 3.06Å; S90-F92 PolarHBondContact O-N 2.96Å; F92-W100 HydrophobicContact CB-CE3 4.31Å; F92-W100 WeakPolarHBondContact O-CA 3.09Å; F92-G101 PolarHBondContact O-N 2.88Å; F92-Y106 WeakPolarHBondContact CA-OH 3.28Å; F92-Y106 HydrophobicContact CB-CE2 4.44Å; F92-Y106 AromaticContact CD1-CD1 3.97Å; F92-Y106 HydrophobicContact CD1-CD1 3.97Å; F92-Y106 AromaticContact CD1-CD2 3.78Å; F92-Y106 HydrophobicContact CD1-CD2 3.78Å; F92-Y106 AromaticContact CD1-CE1 3.91Å; F92-Y106 HydrophobicContact CD1-CE1 3.91Å; F92-Y106 AromaticContact CD1-CE2 3.74Å; F92-Y106 HydrophobicContact CD1-CE2 3.74Å; F92-Y106 AromaticContact CD1-CG 3.91Å; F92-Y106 HydrophobicContact CD1-CG 3.91Å; F92-Y106 AromaticContact CD1-CZ 3.81Å; F92-Y106 HydrophobicContact CE1-CD1 4.2Å; F92-Y106 HydrophobicContact CE1-CD2 4.23Å; F92-Y106 HydrophobicContact CE1-CG 4.03Å; F92-Y106 PolarHBondContact O-OH 3.24Å; F92-I130 HydrophobicContact CB-CD1 4.49Å; F92-I130 HydrophobicContact CD1-CD1 3.52Å; F92-I130 HydrophobicContact CD2-CD1 4.26Å; F92-I130 HydrophobicContact CD2-CG2 3.66Å; F92-I130 HydrophobicContact CE1-CD1 3.69Å; F92-I130 HydrophobicContact CE2-CD1 4.4Å; F92-I130 HydrophobicContact CE2-CG2 3.72Å; F92-I130 HydrophobicContact CG-CD1 3.81Å; F92-I130 HydrophobicContact CG-CG2 4.24Å; F92-I130 HydrophobicContact CZ-CD1 4.14Å; F92-I130 HydrophobicContact CZ-CG2 4.36Å; F92-I132 HydrophobicContact CB-CD1 4.36Å; F92-I132 HydrophobicContact CD2-CD1 4.27Å; F92-A147 HydrophobicContact CD2-CB 4.07Å; F92-A147 HydrophobicContact CE2-CB 3.75Å; F92-V149 HydrophobicContact CE1-CG2 4.45Å; F92-V149 HydrophobicContact CE2-CG2 3.83Å; F92-V149 HydrophobicContact CZ-CG2 3.44Å; F92-V149 VanDerWaalsContact CZ-CG2 3.44Å; F92-L287 HydrophobicContact CB-CD1 4.22Å |
| 93 | R | 92.3 | Very high | 92.4 | Very high | 45 Ų | 45 | 52.3 Ų | 52.3 | 17% | 0.17 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 131.3 | 176.6 | -162.8 | 169.3 | -177 | -165.7 | 0.1 | 110.6 | S90 A95 K98 W100 N144 | S90-R93 PolarHBondContact O-N 3.2Å; R93-A95 PolarHBondContact O-N 2.85Å; R93-K98 PolarHBondContact NE-O 2.86Å; R93-W100 HydrophobicContact CB-CE3 4.01Å; R93-W100 HydrophobicContact CB-CH2 4.38Å; R93-W100 HydrophobicContact CB-CZ3 3.83Å; R93-W100 HydrophobicContact CG-CE3 4.43Å; R93-W100 HydrophobicContact CG-CZ3 4.44Å; R93-N144 WeakPolarHBondContact CD-OD1 3.3Å; R93-N144 PolarHBondContact NH1-OD1 3.22Å |
| 94 | H | 86.4 | Confident | 92.3 | Very high | 75 Ų | 75 | 53.7 Ų | 53.7 | 35% | 0.347 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 106.4 | 171.2 | -69.3 | -84.3 | 0 | 0 | 0 | 109.2 | L96 K97 K98 R99 | H94-L96 PolarHBondContact O-N 3.47Å; H94-K97 HydrophobicContact CB-CB 4.1Å; H94-K97 PolarHBondContact O-N 2.84Å; H94-K98 WeakPolarHBondContact O-CA 3.33Å; H94-K98 PolarHBondContact O-N 3.33Å; H94-R99 PolarHBondContact CD2-O 2.85Å; H94-R99 PolarHBondContact N-O 3.14Å |
| 95 | A | 77.3 | Confident | 92.2 | Very high | 80 Ų | 80 | 53.6 Ų | 53.6 | 66% | 0.661 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.5 | -53.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113 | R93 K97 | R93-A95 PolarHBondContact O-N 2.85Å; A95-K97 PolarHBondContact O-N 2.83Å |
| 96 | L | 82.3 | Confident | 92 | Very high | 175 Ų | 175 | 54.1 Ų | 54.1 | 92% | 0.916 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -38 | -177.8 | -64.1 | 175.5 | 0 | 0 | 0 | 114.1 | H94 | H94-L96 PolarHBondContact O-N 3.47Š|
| 97 | K | 84.4 | Confident | 91.9 | Very high | 152 Ų | 152 | 57.9 Ų | 57.9 | 66% | 0.661 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -7.6 | -175.2 | -64.4 | -173.9 | 179.2 | -175.8 | 0 | 112.8 | H94 A95 R99 | H94-K97 HydrophobicContact CB-CB 4.1Å; H94-K97 PolarHBondContact O-N 2.84Å; A95-K97 PolarHBondContact O-N 2.83Å; K97-R99 HydrophobicContact CB-CB 4.36Å; K97-R99 WeakPolarHBondContact O-CG 3.46Å; K97-R99 PolarHBondContact O-N 2.98Å |
| 98 | K | 85.3 | Confident | 91.9 | Very high | 118 Ų | 118 | 57.9 Ų | 57.9 | 51% | 0.513 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.5 | 24.4 | -170.7 | -58.9 | -166 | -177.6 | -160.2 | 0 | 114.7 | R93 H94 E140 | R93-K98 PolarHBondContact NE-O 2.86Å; H94-K98 WeakPolarHBondContact O-CA 3.33Å; H94-K98 PolarHBondContact O-N 3.33Å; K98-E140 WeakPolarHBondContact CE-OE1 3.47Å; K98-E140 IonicContact NZ-OE1 2.85Å; K98-E140 PolarHBondContact NZ-OE1 2.86Å |
| 99 | R | 90.9 | Very high | 91.8 | Very high | 183 Ų | 183 | 58.3 Ų | 58.3 | 69% | 0.691 | 30% | 0.295 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 149.1 | -176.5 | -76.7 | 173.6 | -170.4 | -177.3 | 2.9 | 111.6 | H94 K97 | H94-R99 PolarHBondContact CD2-O 2.85Å; H94-R99 PolarHBondContact N-O 3.14Å; K97-R99 HydrophobicContact CB-CB 4.36Å; K97-R99 WeakPolarHBondContact O-CG 3.46Å; K97-R99 PolarHBondContact O-N 2.98Å |
| 100 | W | 92.8 | Very high | 91.9 | Very high | 69 Ų | 69 | 58.4 Ų | 58.4 | 26% | 0.261 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 139.5 | 170.8 | -60 | 106.8 | 0 | 0 | 0 | 111 | G89 F92 R93 I132 W143 N144 I285 L287 | G89-W100 WeakPolarHBondContact O-CZ3 3.48Å; F92-W100 HydrophobicContact CB-CE3 4.31Å; F92-W100 WeakPolarHBondContact O-CA 3.09Å; R93-W100 HydrophobicContact CB-CE3 4.01Å; R93-W100 HydrophobicContact CB-CH2 4.38Å; R93-W100 HydrophobicContact CB-CZ3 3.83Å; R93-W100 HydrophobicContact CG-CE3 4.43Å; R93-W100 HydrophobicContact CG-CZ3 4.44Å; W100-I132 HydrophobicContact CE3-CD1 3.65Å; W100-I132 HydrophobicContact CH2-CD1 3.82Å; W100-I132 HydrophobicContact CH2-CG2 4.28Å; W100-I132 HydrophobicContact CZ3-CD1 3.24Å; W100-W143 HydrophobicContact CZ2-CH2 4.45Å; W100-W143 AromaticContact CZ2-CZ3 3.93Å; W100-W143 HydrophobicContact CZ2-CZ3 3.93Å; W100-N144 HydrophobicContact CH2-CB 4.16Å; W100-I285 HydrophobicContact CD2-CG2 4.34Å; W100-I285 HydrophobicContact CH2-CD1 4.18Å; W100-I285 HydrophobicContact CZ2-CD1 3.31Å; W100-I285 HydrophobicContact CZ2-CG2 4.42Å; W100-L287 HydrophobicContact CB-CD1 4.11Å; W100-L287 HydrophobicContact CB-CD2 3.68Å; W100-L287 HydrophobicContact CE3-CD1 4.2Å; W100-L287 HydrophobicContact CG-CD2 4.03Å |
| 101 | G | 93.2 | Very high | 91.9 | Very high | 6 Ų | 6 | 58.5 Ų | 58.5 | 6% | 0.062 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -79.1 | 165.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F92 | F92-G101 PolarHBondContact O-N 2.88Š|
| 102 | T | 94.6 | Very high | 91.7 | Very high | 73 Ų | 73 | 59 Ų | 59 | 45% | 0.448 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -83.9 | 151 | 171.5 | 61.5 | 0 | 0 | 0 | 0 | 110.5 | S104 S105 Y106 | T102-S104 PolarHBondContact O-N 2.87Å; T102-S104 VanDerWaalsContact O-N 3.14Å; T102-S104 PolarHBondContact OG1-OG 2.85Å; T102-S104 VanDerWaalsContact OG1-OG 3.06Å; T102-S105 VanDerWaalsContact O-CB 3.23Å; T102-S105 WeakPolarHBondContact O-CB 3.47Å; T102-S105 PolarHBondContact O-N 3.36Å; T102-S105 PolarHBondContact OG1-OG 3.19Å; T102-Y106 WeakPolarHBondContact O-CD2 3.32Å; T102-Y106 VanDerWaalsContact O-CE2 3.26Å; T102-Y106 WeakPolarHBondContact O-CE2 2.99Å |
| 103 | P | 96 | Very high | 91.3 | Very high | 11 Ų | 11 | 61.8 Ų | 61.8 | 7% | 0.071 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -53.6 | -36.3 | 177.1 | -30 | 37.6 | 0 | 0 | 0 | 113.9 | S105 Y106 P127 I130 L287 | P103-S105 PolarHBondContact O-N 2.85Å; P103-Y106 PolarHBondContact O-N 3.25Å; P103-P127 HydrophobicContact CB-CB 3.84Å; P103-P127 WeakPolarHBondContact CB-O 3.42Å; P103-I130 HydrophobicContact CB-CD1 4.26Å; P103-I130 HydrophobicContact CB-CG1 4.5Å; P103-I130 HydrophobicContact CG-CD1 4.19Å; P103-I130 HydrophobicContact CG-CG1 4.36Å; P103-L287 HydrophobicContact CG-CB 4.1Å; P103-L287 WeakPolarHBondContact CG-O 3.02Å |
| 104 | S | 94.8 | Very high | 91.1 | Very high | 90 Ų | 90 | 65.2 Ų | 65.2 | 63% | 0.629 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -66.1 | -12.4 | 176.3 | 56.2 | 0 | 0 | 0 | 0 | 114.7 | T102 Y106 | T102-S104 PolarHBondContact O-N 2.87Å; T102-S104 VanDerWaalsContact O-N 3.14Å; T102-S104 PolarHBondContact OG1-OG 2.85Å; T102-S104 VanDerWaalsContact OG1-OG 3.06Å; S104-Y106 PolarHBondContact O-N 3.28Å |
| 105 | S | 94.4 | Very high | 91 | Very high | 30 Ų | 30 | 61.9 Ų | 61.9 | 21% | 0.21 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -81.7 | 0.1 | 176.9 | -61.7 | 0 | 0 | 0 | 0 | 113.3 | G57 K58 T102 P103 | G57-S105 CarbonylContact C-O 3.54Å; G57-S105 WeakPolarHBondContact CA-O 3.25Å; K58-S105 PolarHBondContact N-O 3.49Å; T102-S105 VanDerWaalsContact O-CB 3.23Å; T102-S105 WeakPolarHBondContact O-CB 3.47Å; T102-S105 PolarHBondContact O-N 3.36Å; T102-S105 PolarHBondContact OG1-OG 3.19Å; P103-S105 PolarHBondContact O-N 2.85Å |
| 106 | Y | 96.1 | Very high | 91.2 | Very high | 11 Ų | 11 | 64.2 Ų | 64.2 | 4% | 0.043 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 155.2 | -173.3 | -55.1 | -85.6 | 0 | 0 | 0 | 112 | I55 R56 C91 F92 T102 P103 S104 P127 | I55-Y106 HydrophobicContact CG2-CD1 4.31Å; R56-Y106 CarbonylContact O-C 3.46Å; R56-Y106 VanDerWaalsContact O-CA 3.28Å; R56-Y106 WeakPolarHBondContact O-CA 3.49Å; C91-Y106 WeakPolarHBondContact O-CE1 3.3Å; F92-Y106 WeakPolarHBondContact CA-OH 3.28Å; F92-Y106 HydrophobicContact CB-CE2 4.44Å; F92-Y106 AromaticContact CD1-CD1 3.97Å; F92-Y106 HydrophobicContact CD1-CD1 3.97Å; F92-Y106 AromaticContact CD1-CD2 3.78Å; F92-Y106 HydrophobicContact CD1-CD2 3.78Å; F92-Y106 AromaticContact CD1-CE1 3.91Å; F92-Y106 HydrophobicContact CD1-CE1 3.91Å; F92-Y106 AromaticContact CD1-CE2 3.74Å; F92-Y106 HydrophobicContact CD1-CE2 3.74Å; F92-Y106 AromaticContact CD1-CG 3.91Å; F92-Y106 HydrophobicContact CD1-CG 3.91Å; F92-Y106 AromaticContact CD1-CZ 3.81Å; F92-Y106 HydrophobicContact CE1-CD1 4.2Å; F92-Y106 HydrophobicContact CE1-CD2 4.23Å; F92-Y106 HydrophobicContact CE1-CG 4.03Å; F92-Y106 PolarHBondContact O-OH 3.24Å; T102-Y106 WeakPolarHBondContact O-CD2 3.32Å; T102-Y106 VanDerWaalsContact O-CE2 3.26Å; T102-Y106 WeakPolarHBondContact O-CE2 2.99Å; P103-Y106 PolarHBondContact O-N 3.25Å; S104-Y106 PolarHBondContact O-N 3.28Å; Y106-P127 VanDerWaalsContact O-CD 3.23Å; Y106-P127 WeakPolarHBondContact O-CD 3.34Å |
| 107 | K | 95.7 | Very high | 90.8 | Very high | 79 Ų | 79 | 59.4 Ų | 59.4 | 34% | 0.343 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 134 | 173.3 | -168.4 | 162.6 | 175.2 | 170.1 | 0 | 109.6 | R56 F109 S124 | R56-K107 PolarHBondContact N-O 2.92Å; R56-K107 PolarHBondContact O-N 3.24Å; K107-F109 HydrophobicContact CB-CE2 3.82Å; K107-F109 HydrophobicContact CB-CZ 4.01Å; K107-F109 HydrophobicContact CD-CE1 3.96Å; K107-F109 HydrophobicContact CD-CE2 4.19Å; K107-F109 HydrophobicContact CD-CZ 3.5Å; K107-F109 VanDerWaalsContact CD-CZ 3.5Å; K107-F109 HydrophobicContact CG-CD2 4.45Å; K107-F109 HydrophobicContact CG-CE1 4.04Å; K107-F109 HydrophobicContact CG-CE2 3.71Å; K107-F109 HydrophobicContact CG-CZ 3.51Å; K107-S124 WeakPolarHBondContact CE-OG 3.38Å; K107-S124 PolarHBondContact NZ-OG 2.75Å |
| 108 | V | 96.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 138.9 | 179.4 | -173.1 | 0 | 0 | 0 | 0 | 108.7 | V53 A54 I55 I85 S124 G125 P127 L151 F155 | V53-V108 HydrophobicContact CB-CG1 3.81Å; V53-V108 HydrophobicContact CG1-CG1 4.31Å; V53-V108 HydrophobicContact CG2-CG1 3.72Å; A54-V108 CarbonylContact O-C 3.55Å; A54-V108 WeakPolarHBondContact O-CA 3.37Å; I55-V108 HydrophobicContact CG1-CG2 4.32Å; I85-V108 HydrophobicContact CD1-CG1 4.37Å; I85-V108 HydrophobicContact CG1-CG1 4.22Å; V108-S124 CarbonylContact O-C 3.51Å; V108-S124 VanDerWaalsContact O-CA 3.31Å; V108-S124 WeakPolarHBondContact O-CA 3.14Å; V108-G125 PolarHBondContact N-O 2.76Å; V108-G125 PolarHBondContact O-N 2.88Å; V108-P127 HydrophobicContact CG2-CG 4.21Å; V108-L151 HydrophobicContact CB-CD2 4.04Å; V108-L151 HydrophobicContact CG2-CD2 3.8Å; V108-F155 HydrophobicContact CB-CZ 4.3Å; V108-F155 HydrophobicContact CG1-CE2 3.98Å; V108-F155 HydrophobicContact CG1-CZ 4.09Å |
| 109 | F | 95.8 | Very high | 89.1 | Confident | 10 Ų | 10 | 63.1 Ų | 63.1 | 4% | 0.044 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 138 | -179.5 | -58.6 | -88.8 | 0 | 0 | 0 | 111.1 | V53 A54 R56 K107 L112 I120 Q123 | V53-F109 CarbonylContact C-O 3.53Å; V53-F109 WeakPolarHBondContact CA-O 3.44Å; V53-F109 VanDerWaalsContact CB-O 3.22Å; V53-F109 WeakPolarHBondContact CB-O 3.04Å; A54-F109 PolarHBondContact N-O 3.35Å; A54-F109 PolarHBondContact O-N 3.23Å; R56-F109 HydrophobicContact CB-CE2 4Å; R56-F109 HydrophobicContact CG-CD2 4.2Å; R56-F109 HydrophobicContact CG-CE2 3.83Å; K107-F109 HydrophobicContact CB-CE2 3.82Å; K107-F109 HydrophobicContact CB-CZ 4.01Å; K107-F109 HydrophobicContact CD-CE1 3.96Å; K107-F109 HydrophobicContact CD-CE2 4.19Å; K107-F109 HydrophobicContact CD-CZ 3.5Å; K107-F109 VanDerWaalsContact CD-CZ 3.5Å; K107-F109 HydrophobicContact CG-CD2 4.45Å; K107-F109 HydrophobicContact CG-CE1 4.04Å; K107-F109 HydrophobicContact CG-CE2 3.71Å; K107-F109 HydrophobicContact CG-CZ 3.51Å; F109-L112 HydrophobicContact CB-CD2 3.31Å; F109-L112 HydrophobicContact CG-CD2 4.35Å; F109-I120 HydrophobicContact CD1-CB 4.5Å; F109-I120 HydrophobicContact CD1-CD1 3.8Å; F109-I120 HydrophobicContact CD1-CG2 3.63Å; F109-I120 HydrophobicContact CE1-CB 4.48Å; F109-I120 HydrophobicContact CE1-CD1 3.17Å; F109-I120 HydrophobicContact CE1-CG1 4.37Å; F109-I120 HydrophobicContact CE1-CG2 4.08Å; F109-I120 HydrophobicContact CE2-CD1 4.39Å; F109-I120 HydrophobicContact CG-CG2 4.39Å; F109-I120 HydrophobicContact CZ-CD1 3.51Å; F109-Q123 VanDerWaalsContact CA-O 3.31Å; F109-Q123 WeakPolarHBondContact CA-O 3.35Å |
| 110 | A | 96.1 | Very high | 88 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.008 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 158 | -178 | 0 | 0 | 0 | 0 | 0 | 111 | V53 I68 G122 Q123 F155 V161 | V53-A110 HydrophobicContact CG1-CB 3.84Å; I68-A110 HydrophobicContact CD1-CB 3.94Å; A110-G122 CarbonylContact O-C 3.42Å; A110-G122 VanDerWaalsContact O-CA 3.3Å; A110-G122 WeakPolarHBondContact O-CA 3.28Å; A110-Q123 PolarHBondContact N-O 3.19Å; A110-Q123 PolarHBondContact O-N 3.25Å; A110-F155 HydrophobicContact CB-CD2 3.84Å; A110-F155 HydrophobicContact CB-CE1 4.43Å; A110-F155 HydrophobicContact CB-CE2 3.66Å; A110-F155 HydrophobicContact CB-CG 4.31Å; A110-F155 HydrophobicContact CB-CZ 3.98Å; A110-V161 HydrophobicContact CB-CG1 4.24Å; A110-V161 HydrophobicContact CB-CG2 4.12Å |
| 111 | G | 94.1 | Very high | 87.3 | Confident | 17 Ų | 17 | 61.3 Ų | 61.3 | 18% | 0.175 | 31% | 0.305 | C | S | . | . | S | Bend | trans | 69.4 | 41.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | G122 E160 | G111-G122 WeakPolarHBondContact O-CA 3.37Å; G111-E160 WeakPolarHBondContact CA-O 3.11Å |
| 112 | L | 90.5 | Very high | 87.1 | Confident | 13 Ų | 13 | 63.4 Ų | 63.4 | 7% | 0.068 | 33% | 0.327 | C | S | . | . | trans | -141.1 | 143.7 | -179.2 | 68.8 | 103.9 | 0 | 0 | 0 | 111.1 | F109 R114 L115 I120 Q121 L189 | F109-L112 HydrophobicContact CB-CD2 3.31Å; F109-L112 HydrophobicContact CG-CD2 4.35Å; L112-R114 WeakPolarHBondContact CD1-O 3.32Å; L112-L115 HydrophobicContact CD1-CD2 3.52Å; L112-L115 HydrophobicContact CD1-CG 3.92Å; L112-L115 HydrophobicContact CD2-CD2 4.26Å; L112-I120 HydrophobicContact CD2-CG2 4.06Å; L112-Q121 VanDerWaalsContact CB-O 3.31Å; L112-Q121 WeakPolarHBondContact CB-O 3.27Å; L112-L189 HydrophobicContact CD1-CD1 3.77Å | ||
| 113 | D | 87.2 | Confident | 87.1 | Confident | 59 Ų | 59 | 62 Ų | 62 | 32% | 0.316 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -90.2 | -32.1 | 176.6 | 70.7 | -31.2 | 0 | 0 | 0 | 112.4 | V48 R188 L189 | V48-D113 HydrophobicContact CG2-CB 4.16Å; D113-R188 WeakPolarHBondContact O-CA 3.36Å; D113-L189 PolarHBondContact O-N 3.07Å |
| 114 | R | 87.5 | Confident | 87.1 | Confident | 117 Ų | 117 | 64.5 Ų | 64.5 | 44% | 0.442 | 33% | 0.333 | S | S | . | . | B | Isolated β-bridge | trans | -133.2 | 133.2 | -174.9 | -66.2 | 179.9 | -169.3 | -165.4 | 0.1 | 113.1 | L112 R116 R187 R188 | L112-R114 WeakPolarHBondContact CD1-O 3.32Å; R114-R116 HydrophobicContact CB-CG 4.32Å; R114-R116 PolarHBondContact O-N 2.83Å; R114-R187 CarbonylContact C-O 3.52Å; R114-R187 WeakPolarHBondContact CA-O 3.43Å; R114-R188 HydrophobicContact CG-CB 4.47Å; R114-R188 HydrophobicContact CG-CG 4.32Å |
| 115 | L | 84.7 | Confident | 87.1 | Confident | 6 Ų | 6 | 60.3 Ų | 60.3 | 3% | 0.031 | 30% | 0.304 | C | S | . | . | trans | -81.6 | 84.6 | 171.3 | -73.9 | 179.9 | 0 | 0 | 0 | 110.8 | A54 F62 L112 Y184 R187 L189 | A54-L115 HydrophobicContact CB-CD1 3.61Å; A54-L115 HydrophobicContact CB-CD2 3.71Å; A54-L115 HydrophobicContact CB-CG 4.07Å; F62-L115 HydrophobicContact CB-CD1 4.4Å; F62-L115 HydrophobicContact CD2-CD1 3.52Å; F62-L115 HydrophobicContact CE2-CD1 4.25Å; F62-L115 HydrophobicContact CG-CD1 4.36Å; L112-L115 HydrophobicContact CD1-CD2 3.52Å; L112-L115 HydrophobicContact CD1-CG 3.92Å; L112-L115 HydrophobicContact CD2-CD2 4.26Å; L115-Y184 HydrophobicContact CB-CE2 4.09Å; L115-Y184 HydrophobicContact CD1-CD2 4.22Å; L115-Y184 HydrophobicContact CD1-CE2 3.51Å; L115-Y184 HydrophobicContact CG-CE2 4.07Å; L115-R187 PolarHBondContact N-O 3.26Å; L115-L189 HydrophobicContact CD1-CD1 4.41Å; L115-L189 HydrophobicContact CG-CD1 3.99Å | ||
| 116 | R | 82 | Confident | 87.2 | Confident | 129 Ų | 129 | 63.9 Ų | 63.9 | 49% | 0.487 | 32% | 0.317 | S | S | . | . | trans | -82.6 | 149.2 | 172.7 | -48.8 | -177.5 | -173.8 | -163.7 | 2.1 | 111.3 | R56 R114 F119 | R56-R116 PolarHBondContact NH1-O 2.89Å; R56-R116 PolarHBondContact NH2-O 2.96Å; R114-R116 HydrophobicContact CB-CG 4.32Å; R114-R116 PolarHBondContact O-N 2.83Å; R116-F119 WeakPolarHBondContact CB-O 3.47Å | ||
| 117 | P | 74.7 | Confident | 87.3 | Confident | 74 Ų | 74 | 63.3 Ų | 63.3 | 48% | 0.481 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -68.3 | -38.3 | -179.7 | -22.1 | 33.6 | 0 | 0 | 0 | 114.1 | ||
| 118 | F | 69.1 | Low | 87.4 | Confident | 185 Ų | 185 | 65.3 Ų | 65.3 | 81% | 0.811 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -110.7 | -20.2 | -167.3 | -56.7 | -70.2 | 0 | 0 | 0 | 114.9 | ||
| 119 | F | 63.1 | Low | 87.4 | Confident | 163 Ų | 163 | 65.3 Ų | 65.3 | 72% | 0.715 | 32% | 0.324 | S | S | * | . | trans | -132.5 | 115.4 | -178.6 | -72.5 | -80.3 | 0 | 0 | 0 | 110 | R116 | R116-F119 WeakPolarHBondContact CB-O 3.47Š| ||
| 120 | I | 67.9 | Low | 87.4 | Confident | 60 Ų | 60 | 64.8 Ų | 64.8 | 31% | 0.308 | 32% | 0.322 | S | S | . | . | trans | -115.3 | 100.5 | 176.4 | -53.2 | 175.5 | 0 | 0 | 0 | 106.6 | F109 L112 | F109-I120 HydrophobicContact CD1-CB 4.5Å; F109-I120 HydrophobicContact CD1-CD1 3.8Å; F109-I120 HydrophobicContact CD1-CG2 3.63Å; F109-I120 HydrophobicContact CE1-CB 4.48Å; F109-I120 HydrophobicContact CE1-CD1 3.17Å; F109-I120 HydrophobicContact CE1-CG1 4.37Å; F109-I120 HydrophobicContact CE1-CG2 4.08Å; F109-I120 HydrophobicContact CE2-CD1 4.39Å; F109-I120 HydrophobicContact CG-CG2 4.39Å; F109-I120 HydrophobicContact CZ-CD1 3.51Å; L112-I120 HydrophobicContact CD2-CG2 4.06Å | ||
| 121 | Q | 78.2 | Confident | 87.4 | Confident | 153 Ų | 153 | 67.7 Ų | 67.7 | 72% | 0.715 | 33% | 0.332 | S | S | * | . | trans | -69.2 | 145.7 | 160.8 | -73.9 | 176.1 | -24.4 | 0 | 0 | 107.9 | L112 | L112-Q121 VanDerWaalsContact CB-O 3.31Å; L112-Q121 WeakPolarHBondContact CB-O 3.27Å | ||
| 122 | G | 89.8 | Confident | 87.4 | Confident | 50 Ų | 50 | 66.9 Ų | 66.9 | 52% | 0.515 | 32% | 0.324 | S | S | . | . | S | Bend | trans | 106.5 | -166.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | A110 G111 | A110-G122 CarbonylContact O-C 3.42Å; A110-G122 VanDerWaalsContact O-CA 3.3Å; A110-G122 WeakPolarHBondContact O-CA 3.28Å; G111-G122 WeakPolarHBondContact O-CA 3.37Å |
| 123 | Q | 94.9 | Very high | 87.4 | Confident | 44 Ų | 44 | 67.1 Ų | 67.1 | 21% | 0.206 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 151.1 | -177.3 | -63.8 | -178.2 | 53.7 | 0 | 0 | 110.9 | F109 A110 F155 V156 | F109-Q123 VanDerWaalsContact CA-O 3.31Å; F109-Q123 WeakPolarHBondContact CA-O 3.35Å; A110-Q123 PolarHBondContact N-O 3.19Å; A110-Q123 PolarHBondContact O-N 3.25Å; Q123-F155 HydrophobicContact CB-CD1 3.57Å; Q123-F155 HydrophobicContact CB-CE1 3.76Å; Q123-F155 HydrophobicContact CB-CG 4.46Å; Q123-F155 VanDerWaalsContact OE1-CA 3.31Å; Q123-V156 PolarHBondContact NE2-O 3.07Å |
| 124 | S | 95.1 | Very high | 87.6 | Confident | 63 Ų | 63 | 65.8 Ų | 65.8 | 44% | 0.441 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 139.6 | 175.3 | 81 | 0 | 0 | 0 | 0 | 112.1 | K107 V108 | K107-S124 WeakPolarHBondContact CE-OG 3.38Å; K107-S124 PolarHBondContact NZ-OG 2.75Å; V108-S124 CarbonylContact O-C 3.51Å; V108-S124 VanDerWaalsContact O-CA 3.31Å; V108-S124 WeakPolarHBondContact O-CA 3.14Å |
| 125 | G | 95.8 | Very high | 87.5 | Confident | 3 Ų | 3 | 60.9 Ų | 60.9 | 3% | 0.031 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 139 | -173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V108 | V108-G125 PolarHBondContact N-O 2.76Å; V108-G125 PolarHBondContact O-N 2.88Å |
| 126 | E | 96.6 | Very high | 87 | Confident | 104 Ų | 104 | 68 Ų | 68 | 49% | 0.486 | 34% | 0.34 | S | S | . | . | trans | -96.4 | 129.3 | 173.8 | -70.3 | 178.2 | -167.9 | 0 | 0 | 109.9 | K128 L151 R152 | E126-K128 PolarHBondContact O-N 3.35Å; E126-L151 CarbonylContact O-C 3.43Å; E126-L151 WeakPolarHBondContact O-CA 3.15Å; E126-R152 HydrophobicContact CB-CG 4.47Å; E126-R152 PolarHBondContact O-N 3.01Å; E126-R152 IonicContact OE2-NE 2.75Å | ||
| 127 | P | 97.5 | Very high | 86.7 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 126 | 170.4 | -28.1 | 39.3 | 0 | 0 | 0 | 111.7 | P103 Y106 V108 I130 V149 | P103-P127 HydrophobicContact CB-CB 3.84Å; P103-P127 WeakPolarHBondContact CB-O 3.42Å; Y106-P127 VanDerWaalsContact O-CD 3.23Å; Y106-P127 WeakPolarHBondContact O-CD 3.34Å; V108-P127 HydrophobicContact CG2-CG 4.21Å; P127-I130 HydrophobicContact CB-CD1 4.48Å; P127-I130 HydrophobicContact CB-CG1 4.32Å; P127-V149 HydrophobicContact CB-CG1 3.7Å; P127-V149 HydrophobicContact CG-CG1 3.81Å |
| 128 | K | 97.3 | Very high | 86.3 | Confident | 120 Ų | 120 | 65.2 Ų | 65.2 | 52% | 0.522 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | -46.2 | 165.4 | -177.4 | -179.8 | 174.1 | -178.3 | 0 | 109.9 | E126 T150 R152 | E126-K128 PolarHBondContact O-N 3.35Å; K128-T150 WeakPolarHBondContact CA-O 3.46Å; K128-T150 WeakPolarHBondContact CB-O 3.4Å; K128-T150 PolarHBondContact N-O 2.8Å; K128-R152 HydrophobicContact CB-CG 3.74Å; K128-R152 HydrophobicContact CG-CG 4.42Å |
| 129 | G | 96.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 158.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | T150 L287 | G129-T150 PolarHBondContact N-O 3.13Å; G129-T150 PolarHBondContact O-N 3.31Å; G129-L287 CarbonylContact C-O 3.54Å; G129-L287 WeakPolarHBondContact CA-O 3.4Å |
| 130 | I | 96.6 | Very high | 86.8 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 127 | -178.7 | -54.9 | 161.6 | 0 | 0 | 0 | 107.4 | F92 P103 P127 I132 A147 V149 L287 | F92-I130 HydrophobicContact CB-CD1 4.49Å; F92-I130 HydrophobicContact CD1-CD1 3.52Å; F92-I130 HydrophobicContact CD2-CD1 4.26Å; F92-I130 HydrophobicContact CD2-CG2 3.66Å; F92-I130 HydrophobicContact CE1-CD1 3.69Å; F92-I130 HydrophobicContact CE2-CD1 4.4Å; F92-I130 HydrophobicContact CE2-CG2 3.72Å; F92-I130 HydrophobicContact CG-CD1 3.81Å; F92-I130 HydrophobicContact CG-CG2 4.24Å; F92-I130 HydrophobicContact CZ-CD1 4.14Å; F92-I130 HydrophobicContact CZ-CG2 4.36Å; P103-I130 HydrophobicContact CB-CD1 4.26Å; P103-I130 HydrophobicContact CB-CG1 4.5Å; P103-I130 HydrophobicContact CG-CD1 4.19Å; P103-I130 HydrophobicContact CG-CG1 4.36Å; P127-I130 HydrophobicContact CB-CD1 4.48Å; P127-I130 HydrophobicContact CB-CG1 4.32Å; I130-I132 HydrophobicContact CG2-CD1 4.1Å; I130-I132 HydrophobicContact CG2-CG1 3.77Å; I130-A147 HydrophobicContact CG2-CB 4.16Å; I130-V149 HydrophobicContact CG1-CG1 4.21Å; I130-V149 HydrophobicContact CG1-CG2 4.34Å; I130-V149 HydrophobicContact CG2-CG2 4.38Å; I130-L287 HydrophobicContact CB-CB 4.17Å; I130-L287 HydrophobicContact CB-CD1 4.3Å; I130-L287 HydrophobicContact CD1-CD1 4.31Å; I130-L287 PolarHBondContact N-O 2.83Å; I130-L287 PolarHBondContact O-N 2.86Å |
| 131 | R | 94.8 | Very high | 86.9 | Confident | 61 Ų | 61 | 55.7 Ų | 55.7 | 23% | 0.23 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 124.3 | 175.2 | 175.3 | 173.5 | 173.3 | 175.9 | -6.6 | 108.7 | A147 L148 D275 F284 | R131-A147 CarbonylContact O-C 3.39Å; R131-A147 VanDerWaalsContact O-CA 3.31Å; R131-A147 WeakPolarHBondContact O-CA 3.44Å; R131-L148 PolarHBondContact N-O 2.65Å; R131-L148 PolarHBondContact O-N 2.86Å; R131-D275 PolarHBondContact NH2-O 2.93Å; R131-F284 HydrophobicContact CG-CB 4.12Å; R131-F284 HydrophobicContact CG-CD1 3.4Å; R131-F284 HydrophobicContact CG-CE1 4.04Å; R131-F284 HydrophobicContact CG-CG 3.93Å; R131-F284 VanDerWaalsContact NE-CG 3.3Å |
| 132 | I | 94.3 | Very high | 87 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 129.5 | -173.8 | -50.3 | 179.5 | 0 | 0 | 0 | 108.6 | F92 W100 I130 P134 N144 I146 A147 F284 I285 L287 | F92-I132 HydrophobicContact CB-CD1 4.36Å; F92-I132 HydrophobicContact CD2-CD1 4.27Å; W100-I132 HydrophobicContact CE3-CD1 3.65Å; W100-I132 HydrophobicContact CH2-CD1 3.82Å; W100-I132 HydrophobicContact CH2-CG2 4.28Å; W100-I132 HydrophobicContact CZ3-CD1 3.24Å; I130-I132 HydrophobicContact CG2-CD1 4.1Å; I130-I132 HydrophobicContact CG2-CG1 3.77Å; I132-P134 WeakPolarHBondContact O-CD 3.47Å; I132-N144 WeakPolarHBondContact CG2-O 2.96Å; I132-I146 WeakPolarHBondContact CA-O 3.44Å; I132-A147 HydrophobicContact CG1-CB 3.91Å; I132-F284 CarbonylContact O-C 3.56Å; I132-F284 VanDerWaalsContact O-CA 3.28Å; I132-F284 WeakPolarHBondContact O-CA 3.18Å; I132-I285 HydrophobicContact CB-CB 4.21Å; I132-I285 PolarHBondContact N-O 3.32Å; I132-I285 PolarHBondContact O-N 2.96Å; I132-L287 HydrophobicContact CD1-CD1 3.96Å |
| 133 | M | 91.9 | Very high | 86.8 | Confident | 18 Ų | 18 | 49.9 Ų | 49.9 | 9% | 0.089 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 104.2 | 169.5 | 179 | 51.2 | 70.2 | 0 | 0 | 108.7 | G145 I146 T272 V273 N280 F284 | M133-G145 WeakPolarHBondContact O-CA 3.46Å; M133-I146 PolarHBondContact N-O 3.26Å; M133-I146 PolarHBondContact O-N 3.2Å; M133-I146 VanDerWaalsContact O-N 3.16Å; M133-T272 HydrophobicContact CB-CG2 4.09Å; M133-T272 HydrophobicContact CG-CG2 3.38Å; M133-V273 HydrophobicContact CB-CB 4.42Å; M133-V273 HydrophobicContact CB-CG2 4.37Å; M133-N280 HydrophobicContact CE-CB 4.06Å; M133-F284 HydrophobicContact CB-CD1 3.93Å; M133-F284 HydrophobicContact CB-CE1 3.68Å; M133-F284 HydrophobicContact CB-CZ 4.47Å; M133-F284 HydrophobicContact CE-CD1 3.63Å; M133-F284 HydrophobicContact CE-CD2 3.52Å; M133-F284 HydrophobicContact CE-CE1 3.39Å; M133-F284 HydrophobicContact CE-CE2 3.19Å; M133-F284 HydrophobicContact CE-CG 3.72Å; M133-F284 HydrophobicContact CE-CZ 3.13Å; M133-F284 HydrophobicContact CG-CE1 4.35Å |
| 134 | P | 89.7 | Confident | 86.5 | Confident | 32 Ų | 32 | 48 Ų | 48 | 21% | 0.208 | 25% | 0.245 | C | C | . | . | trans | -71.4 | 154.6 | 176.5 | 31.5 | -33.7 | 0 | 0 | 0 | 111.6 | I132 W143 G283 I285 | I132-P134 WeakPolarHBondContact O-CD 3.47Å; P134-W143 CarbonylContact C-O 3.54Å; P134-W143 WeakPolarHBondContact CA-O 3.4Å; P134-W143 WeakPolarHBondContact CB-O 3.29Å; P134-G283 WeakPolarHBondContact CD-O 3.07Å; P134-G283 WeakPolarHBondContact CG-O 3.18Å; P134-I285 HydrophobicContact CG-CD1 4.3Å | ||
| 135 | Y | 85.6 | Confident | 86.5 | Confident | 14 Ų | 14 | 45 Ų | 45 | 6% | 0.055 | 22% | 0.224 | C | C | . | . | trans | -95.9 | 144.5 | 168.1 | -72.2 | -57.8 | 0 | 0 | 0 | 110.4 | T137 I142 W143 I146 T213 L248 G268 H269 T272 | Y135-T137 VanDerWaalsContact C-N 3.27Å; Y135-T137 PolarHBondContact O-N 2.89Å; Y135-I142 HydrophobicContact CD2-CG2 3.89Å; Y135-I142 WeakPolarHBondContact CD2-O 3.43Å; Y135-W143 PolarHBondContact N-O 2.97Å; Y135-I146 HydrophobicContact CE2-CG1 4.5Å; Y135-T213 HydrophobicContact CD1-CG2 3.72Å; Y135-T213 HydrophobicContact CE1-CG2 4.26Å; Y135-T213 HydrophobicContact CG-CG2 3.99Å; Y135-L248 HydrophobicContact CD2-CD1 3.98Å; Y135-L248 HydrophobicContact CE2-CD1 3.59Å; Y135-G268 WeakPolarHBondContact OH-CA 3.14Å; Y135-H269 PolarHBondContact OH-N 2.84Å; Y135-T272 HydrophobicContact CE1-CG2 3.76Å; Y135-T272 PolarHBondContact OH-OG1 3.2Å | ||
| 136 | N | 76.1 | Confident | 86.4 | Confident | 156 Ų | 156 | 44.9 Ų | 44.9 | 83% | 0.834 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -80.4 | 74.6 | 173.2 | -167.2 | 13.3 | 0 | 0 | 0 | 110.5 | ||
| 137 | T | 73.7 | Confident | 86.4 | Confident | 10 Ų | 10 | 40 Ų | 40 | 6% | 0.061 | 20% | 0.2 | C | C | . | . | trans | -137.7 | 156.1 | -179.8 | 170.6 | 0 | 0 | 0 | 0 | 111.7 | Y135 N139 I142 W143 E209 L210 | Y135-T137 VanDerWaalsContact C-N 3.27Å; Y135-T137 PolarHBondContact O-N 2.89Å; T137-N139 PolarHBondContact OG1-N 2.84Å; T137-I142 HydrophobicContact CG2-CB 3.87Å; T137-I142 HydrophobicContact CG2-CG2 3.78Å; T137-W143 HydrophobicContact CG2-CB 4.13Å; T137-E209 VanDerWaalsContact OG1-CG 3.23Å; T137-E209 WeakPolarHBondContact OG1-CG 3.45Å; T137-E209 PolarHBondContact OG1-OE1 2.89Å; T137-L210 HydrophobicContact CG2-CD2 4.24Å | ||
| 138 | V | 66.8 | Low | 86.4 | Confident | 133 Ų | 133 | 41.1 Ų | 41.1 | 81% | 0.806 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -76.3 | -24.2 | 178.8 | -177.3 | 0 | 0 | 0 | 0 | 112.2 | E140 | V138-E140 PolarHBondContact O-N 2.96Š|
| 139 | N | 71.7 | Confident | 86.4 | Confident | 37 Ų | 37 | 35.4 Ų | 35.4 | 20% | 0.198 | 18% | 0.181 | C | C | . | . | trans | -72.2 | 113.4 | 179.8 | -178.2 | -45.7 | 0 | 0 | 0 | 110.9 | T137 N141 I142 W143 | T137-N139 PolarHBondContact OG1-N 2.84Å; N139-N141 VanDerWaalsContact C-N 3.31Å; N139-N141 PolarHBondContact O-N 2.89Å; N139-N141 PolarHBondContact OD1-N 2.81Å; N139-I142 HydrophobicContact CB-CB 4.2Å; N139-I142 HydrophobicContact CB-CD1 4.03Å; N139-I142 HydrophobicContact CB-CG1 4.18Å; N139-I142 CarbonylContact O-C 3.56Å; N139-I142 PolarHBondContact O-N 3.28Å; N139-I142 VanDerWaalsContact O-N 3.1Å; N139-I142 PolarHBondContact OD1-N 3.3Å; N139-W143 VanDerWaalsContact O-CB 3.26Å; N139-W143 WeakPolarHBondContact O-CB 3.29Å; N139-W143 PolarHBondContact O-N 3.37Å | ||
| 140 | E | 71.7 | Confident | 86.5 | Confident | 90 Ų | 90 | 37.5 Ų | 37.5 | 42% | 0.421 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -57.9 | -36.1 | -173.7 | -65.7 | -165.7 | 163.6 | 0 | 0 | 114.4 | K98 V138 N144 | K98-E140 WeakPolarHBondContact CE-OE1 3.47Å; K98-E140 IonicContact NZ-OE1 2.85Å; K98-E140 PolarHBondContact NZ-OE1 2.86Å; V138-E140 PolarHBondContact O-N 2.96Å; E140-N144 PolarHBondContact O-N 3.01Å; E140-N144 PolarHBondContact O-ND2 3.2Å |
| 141 | N | 70.5 | Confident | 86.5 | Confident | 81 Ų | 81 | 37.6 Ų | 37.6 | 43% | 0.433 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -70.6 | -36.3 | 179.8 | -75.8 | -30.2 | 0 | 0 | 0 | 111.7 | S90 N139 | S90-N141 PolarHBondContact OG-O 2Å; N139-N141 VanDerWaalsContact C-N 3.31Å; N139-N141 PolarHBondContact O-N 2.89Å; N139-N141 PolarHBondContact OD1-N 2.81Å |
| 142 | I | 80.3 | Confident | 86.6 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -81.7 | -35.6 | 177.9 | -54.2 | 174.8 | 0 | 0 | 0 | 110.3 | Y135 T137 N139 N144 G145 L210 L248 L251 F266 | Y135-I142 HydrophobicContact CD2-CG2 3.89Å; Y135-I142 WeakPolarHBondContact CD2-O 3.43Å; T137-I142 HydrophobicContact CG2-CB 3.87Å; T137-I142 HydrophobicContact CG2-CG2 3.78Å; N139-I142 HydrophobicContact CB-CB 4.2Å; N139-I142 HydrophobicContact CB-CD1 4.03Å; N139-I142 HydrophobicContact CB-CG1 4.18Å; N139-I142 CarbonylContact O-C 3.56Å; N139-I142 PolarHBondContact O-N 3.28Å; N139-I142 VanDerWaalsContact O-N 3.1Å; N139-I142 PolarHBondContact OD1-N 3.3Å; I142-N144 PolarHBondContact O-N 2.75Å; I142-G145 WeakPolarHBondContact O-CA 3.39Å; I142-G145 PolarHBondContact O-N 3.43Å; I142-L210 HydrophobicContact CD1-CD1 3.75Å; I142-L210 HydrophobicContact CD1-CD2 4.05Å; I142-L210 HydrophobicContact CG2-CD2 3.73Å; I142-L248 HydrophobicContact CG2-CD1 4.27Å; I142-L251 HydrophobicContact CD1-CD2 3.82Å; I142-F266 HydrophobicContact CD1-CD1 3.99Å; I142-F266 HydrophobicContact CD1-CE1 4.46Å; I142-F266 HydrophobicContact CD1-CG 4.42Å; I142-F266 HydrophobicContact CG1-CD1 4.14Å; I142-F266 HydrophobicContact CG2-CD1 3.93Å; I142-F266 HydrophobicContact CG2-CE1 3.49Å; I142-F266 VanDerWaalsContact CG2-CE1 3.49Å; I142-F266 HydrophobicContact CG2-CZ 4.35Å |
| 143 | W | 84.3 | Confident | 86.8 | Confident | 82 Ų | 82 | 49 Ų | 49 | 31% | 0.311 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -56.4 | -37.5 | 179.7 | 178.9 | 88 | 0 | 0 | 0 | 111.9 | W100 P134 Y135 T137 N139 G145 I285 | W100-W143 HydrophobicContact CZ2-CH2 4.45Å; W100-W143 AromaticContact CZ2-CZ3 3.93Å; W100-W143 HydrophobicContact CZ2-CZ3 3.93Å; P134-W143 CarbonylContact C-O 3.54Å; P134-W143 WeakPolarHBondContact CA-O 3.4Å; P134-W143 WeakPolarHBondContact CB-O 3.29Å; Y135-W143 PolarHBondContact N-O 2.97Å; T137-W143 HydrophobicContact CG2-CB 4.13Å; N139-W143 VanDerWaalsContact O-CB 3.26Å; N139-W143 WeakPolarHBondContact O-CB 3.29Å; N139-W143 PolarHBondContact O-N 3.37Å; W143-G145 PolarHBondContact O-N 2.91Å; W143-G145 VanDerWaalsContact O-N 3.14Å; W143-I285 HydrophobicContact CH2-CD1 4.45Å |
| 144 | N | 90.4 | Very high | 87 | Confident | 5 Ų | 5 | 50.1 Ų | 50.1 | 3% | 0.027 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -12.5 | 176.6 | -58.3 | -44.2 | 0 | 0 | 0 | 113.1 | G89 S90 R93 W100 I132 E140 I142 | G89-N144 WeakPolarHBondContact CA-O 3.5Å; S90-N144 VanDerWaalsContact OG-CB 3.3Å; S90-N144 WeakPolarHBondContact OG-CB 3.34Å; S90-N144 PolarHBondContact OG-ND2 2.9Å; R93-N144 WeakPolarHBondContact CD-OD1 3.3Å; R93-N144 PolarHBondContact NH1-OD1 3.22Å; W100-N144 HydrophobicContact CH2-CB 4.16Å; I132-N144 WeakPolarHBondContact CG2-O 2.96Å; E140-N144 PolarHBondContact O-N 3.01Å; E140-N144 PolarHBondContact O-ND2 3.2Å; I142-N144 PolarHBondContact O-N 2.75Å |
| 145 | G | 93.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | 55.4 | -141 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | G89 M133 I142 W143 L248 | G89-G145 PolarHBondContact N-O 3.01Å; M133-G145 WeakPolarHBondContact O-CA 3.46Å; I142-G145 WeakPolarHBondContact O-CA 3.39Å; I142-G145 PolarHBondContact O-N 3.43Å; W143-G145 PolarHBondContact O-N 2.91Å; W143-G145 VanDerWaalsContact O-N 3.14Å; G145-L248 VanDerWaalsContact O-CD2 3.25Å; G145-L248 WeakPolarHBondContact O-CD2 3.24Å | ||
| 146 | I | 95.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 142.9 | -173.7 | -52.1 | 176.4 | 0 | 0 | 0 | 110 | T87 I132 M133 Y135 V246 G268 H269 V273 | T87-I146 WeakPolarHBondContact O-CG2 3.34Å; I132-I146 WeakPolarHBondContact CA-O 3.44Å; M133-I146 PolarHBondContact N-O 3.26Å; M133-I146 PolarHBondContact O-N 3.2Å; M133-I146 VanDerWaalsContact O-N 3.16Å; Y135-I146 HydrophobicContact CE2-CG1 4.5Å; I146-V246 HydrophobicContact CG1-CB 4.41Å; I146-V246 HydrophobicContact CG2-CB 4.32Å; I146-V246 HydrophobicContact CG2-CG2 3.92Å; I146-G268 WeakPolarHBondContact CD1-O 3.49Å; I146-H269 WeakPolarHBondContact CD1-O 3.31Å; I146-V273 HydrophobicContact CB-CB 4.16Å; I146-V273 HydrophobicContact CB-CG1 4.33Å; I146-V273 HydrophobicContact CG2-CB 4.04Å; I146-V273 HydrophobicContact CG2-CG1 3.68Å |
| 147 | A | 96.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 141 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | T87 F92 I130 R131 I132 | T87-A147 HydrophobicContact CG2-CB 4.02Å; T87-A147 PolarHBondContact N-O 3.29Å; T87-A147 PolarHBondContact O-N 2.04Å; F92-A147 HydrophobicContact CD2-CB 4.07Å; F92-A147 HydrophobicContact CE2-CB 3.75Å; I130-A147 HydrophobicContact CG2-CB 4.16Å; R131-A147 CarbonylContact O-C 3.39Å; R131-A147 VanDerWaalsContact O-CA 3.31Å; R131-A147 WeakPolarHBondContact O-CA 3.44Å; I132-A147 HydrophobicContact CG1-CB 3.91Å |
| 148 | L | 96.9 | Very high | 89.7 | Confident | 25 Ų | 25 | 47.7 Ų | 47.7 | 13% | 0.131 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 117.6 | 165.5 | -179.6 | 67.9 | 0 | 0 | 0 | 108.5 | I69 L84 L86 R131 V273 L274 | I69-L148 HydrophobicContact CD1-CD1 3.85Å; L84-L148 HydrophobicContact CB-CD1 4.27Å; L84-L148 HydrophobicContact CD2-CD1 4.43Å; L86-L148 HydrophobicContact CD2-CB 4.37Å; L86-L148 HydrophobicContact CD2-CD1 3.75Å; L86-L148 HydrophobicContact CG-CD1 4.41Å; R131-L148 PolarHBondContact N-O 2.65Å; R131-L148 PolarHBondContact O-N 2.86Å; L148-V273 HydrophobicContact CB-CG2 3.92Å; L148-L274 HydrophobicContact CD1-CD2 4.48Å; L148-L274 HydrophobicContact CD2-CD2 4.36Å |
| 149 | V | 98 | Very high | 91 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 133.5 | 175.9 | -174 | 0 | 0 | 0 | 0 | 109.1 | L84 I85 T87 F92 P127 I130 L151 | L84-V149 WeakPolarHBondContact CA-O 3.02Å; I85-V149 HydrophobicContact CB-CB 4.09Å; I85-V149 PolarHBondContact N-O 2.99Å; I85-V149 PolarHBondContact O-N 3Å; T87-V149 HydrophobicContact CG2-CG2 4.01Å; F92-V149 HydrophobicContact CE1-CG2 4.45Å; F92-V149 HydrophobicContact CE2-CG2 3.83Å; F92-V149 HydrophobicContact CZ-CG2 3.44Å; F92-V149 VanDerWaalsContact CZ-CG2 3.44Å; P127-V149 HydrophobicContact CB-CG1 3.7Å; P127-V149 HydrophobicContact CG-CG1 3.81Å; I130-V149 HydrophobicContact CG1-CG1 4.21Å; I130-V149 HydrophobicContact CG1-CG2 4.34Å; I130-V149 HydrophobicContact CG2-CG2 4.38Å; V149-L151 HydrophobicContact CG1-CD2 4.29Å |
| 150 | T | 97.7 | Very high | 92 | Very high | 44 Ų | 44 | 49.3 Ų | 49.3 | 27% | 0.27 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 115.1 | 170.3 | -58.4 | 0 | 0 | 0 | 0 | 109 | K83 K128 G129 | K83-T150 HydrophobicContact CB-CG2 4.38Å; K83-T150 WeakPolarHBondContact O-CA 3.4Å; K128-T150 WeakPolarHBondContact CA-O 3.46Å; K128-T150 WeakPolarHBondContact CB-O 3.4Å; K128-T150 PolarHBondContact N-O 2.8Å; G129-T150 PolarHBondContact N-O 3.13Å; G129-T150 PolarHBondContact O-N 3.31Å |
| 151 | L | 98.1 | Very high | 93.2 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 152.6 | 177.2 | -58.8 | 176.9 | 0 | 0 | 0 | 112 | K83 I85 V108 E126 V149 K153 F155 | K83-L151 HydrophobicContact CB-CB 4.38Å; K83-L151 WeakPolarHBondContact O-CG 3.27Å; K83-L151 PolarHBondContact O-N 2.92Å; I85-L151 HydrophobicContact CD1-CD1 4.15Å; I85-L151 HydrophobicContact CG1-CD1 4.05Å; I85-L151 HydrophobicContact CG1-CD2 4.41Å; I85-L151 HydrophobicContact CG1-CG 4.13Å; V108-L151 HydrophobicContact CB-CD2 4.04Å; V108-L151 HydrophobicContact CG2-CD2 3.8Å; E126-L151 CarbonylContact O-C 3.43Å; E126-L151 WeakPolarHBondContact O-CA 3.15Å; V149-L151 HydrophobicContact CG1-CD2 4.29Å; L151-K153 VanDerWaalsContact CB-O 3.24Å; L151-K153 WeakPolarHBondContact CB-O 3.35Å; L151-F155 HydrophobicContact CD1-CD1 4.41Å; L151-F155 HydrophobicContact CD1-CD2 3.87Å; L151-F155 HydrophobicContact CD1-CE1 4.2Å; L151-F155 HydrophobicContact CD1-CE2 3.62Å; L151-F155 HydrophobicContact CD1-CG 4.26Å; L151-F155 HydrophobicContact CD1-CZ 3.8Å |
| 152 | R | 97.1 | Very high | 94.4 | Very high | 135 Ų | 135 | 41.2 Ų | 41.2 | 51% | 0.509 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | -47.6 | 172.7 | -70.2 | -178.6 | -178.1 | -87 | -3.9 | 111.5 | E126 K128 | E126-R152 HydrophobicContact CB-CG 4.47Å; E126-R152 PolarHBondContact O-N 3.01Å; E126-R152 IonicContact OE2-NE 2.75Å; K128-R152 HydrophobicContact CB-CG 3.74Å; K128-R152 HydrophobicContact CG-CG 4.42Å |
| 153 | K | 96.9 | Very high | 95.2 | Very high | 165 Ų | 165 | 41.2 Ų | 41.2 | 72% | 0.717 | 19% | 0.193 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 141.1 | 175.4 | -65.1 | -176 | -179.4 | -178.7 | 0 | 109.1 | L151 | L151-K153 VanDerWaalsContact CB-O 3.24Å; L151-K153 WeakPolarHBondContact CB-O 3.35Å |
| 154 | P | 96.8 | Very high | 95.7 | Very high | 42 Ų | 42 | 37.3 Ų | 37.3 | 27% | 0.273 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 152.9 | 177.9 | 32.3 | -34.1 | 0 | 0 | 0 | 110.9 | S82 K83 | S82-P154 CarbonylContact O-C 3.58Å; S82-P154 VanDerWaalsContact O-CA 3.27Å; S82-P154 WeakPolarHBondContact O-CA 3.35Å; K83-P154 HydrophobicContact CG-CB 3.67Å; K83-P154 HydrophobicContact CG-CG 4.49Å |
| 155 | F | 97.4 | Very high | 95.9 | Very high | 3 Ų | 3 | 37.1 Ų | 37.1 | 1% | 0.013 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 130.4 | 159.6 | -67.8 | -36.7 | 0 | 0 | 0 | 109.5 | V53 I68 S81 S82 I85 V108 A110 Q123 L151 V161 | V53-F155 HydrophobicContact CG1-CE2 4.24Å; I68-F155 HydrophobicContact CD1-CD2 3.81Å; I68-F155 HydrophobicContact CG1-CD2 4.12Å; S81-F155 CarbonylContact C-O 3.6Å; S81-F155 WeakPolarHBondContact CA-O 3.49Å; S81-F155 WeakPolarHBondContact CB-O 3.38Å; S82-F155 PolarHBondContact N-O 3.18Å; S82-F155 PolarHBondContact O-N 2.96Å; I85-F155 HydrophobicContact CD1-CD2 4.07Å; I85-F155 HydrophobicContact CD1-CE2 3.9Å; V108-F155 HydrophobicContact CB-CZ 4.3Å; V108-F155 HydrophobicContact CG1-CE2 3.98Å; V108-F155 HydrophobicContact CG1-CZ 4.09Å; A110-F155 HydrophobicContact CB-CD2 3.84Å; A110-F155 HydrophobicContact CB-CE1 4.43Å; A110-F155 HydrophobicContact CB-CE2 3.66Å; A110-F155 HydrophobicContact CB-CG 4.31Å; A110-F155 HydrophobicContact CB-CZ 3.98Å; Q123-F155 HydrophobicContact CB-CD1 3.57Å; Q123-F155 HydrophobicContact CB-CE1 3.76Å; Q123-F155 HydrophobicContact CB-CG 4.46Å; Q123-F155 VanDerWaalsContact OE1-CA 3.31Å; L151-F155 HydrophobicContact CD1-CD1 4.41Å; L151-F155 HydrophobicContact CD1-CD2 3.87Å; L151-F155 HydrophobicContact CD1-CE1 4.2Å; L151-F155 HydrophobicContact CD1-CE2 3.62Å; L151-F155 HydrophobicContact CD1-CG 4.26Å; L151-F155 HydrophobicContact CD1-CZ 3.8Å; F155-V161 HydrophobicContact CB-CG1 4.08Å |
| 156 | V | 96 | Very high | 96 | Very high | 83 Ų | 83 | 39 Ų | 39 | 50% | 0.503 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 132.2 | 178 | -179.3 | 0 | 0 | 0 | 0 | 108.5 | Q123 | Q123-V156 PolarHBondContact NE2-O 3.07Å |
| 157 | F | 95.2 | Very high | 95.7 | Very high | 18 Ų | 18 | 41.8 Ų | 41.8 | 8% | 0.079 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -76 | 137.9 | -178.1 | -55.7 | -28.6 | 0 | 0 | 0 | 111.6 | Y33 I68 R79 N80 S81 V161 P163 | Y33-F157 HydrophobicContact CD1-CB 3.56Å; Y33-F157 HydrophobicContact CD1-CD2 4.29Å; Y33-F157 HydrophobicContact CD1-CG 4.38Å; Y33-F157 HydrophobicContact CE1-CB 3.81Å; Y33-F157 AromaticContact CE1-CD2 3.64Å; Y33-F157 HydrophobicContact CE1-CD2 3.64Å; Y33-F157 HydrophobicContact CE1-CG 4.17Å; Y33-F157 HydrophobicContact CG-CB 4.04Å; Y33-F157 AromaticContact CZ-CD2 3.75Å; I68-F157 HydrophobicContact CG2-CE1 3.91Å; I68-F157 HydrophobicContact CG2-CZ 4.46Å; R79-F157 WeakPolarHBondContact O-CE2 3.36Å; N80-F157 PolarHBondContact O-N 3Å; S81-F157 VanDerWaalsContact C-CZ 3.47Å; F157-V161 CarbonylContact C-O 3.54Å; F157-V161 WeakPolarHBondContact CA-O 3.1Å; F157-V161 WeakPolarHBondContact CB-O 3.1Å; F157-V161 HydrophobicContact CD1-CG1 4.5Å; F157-P163 HydrophobicContact CD2-CG 4.18Å; F157-P163 HydrophobicContact CE1-CB 4.25Å; F157-P163 HydrophobicContact CE1-CG 4.14Å; F157-P163 HydrophobicContact CE2-CB 4.33Å; F157-P163 HydrophobicContact CE2-CG 3.52Å; F157-P163 HydrophobicContact CZ-CB 3.79Å; F157-P163 HydrophobicContact CZ-CG 3.49Å; F157-P163 VanDerWaalsContact CZ-CG 3.49Å |
| 158 | N | 94.1 | Very high | 94.7 | Very high | 57 Ų | 57 | 45.3 Ų | 45.3 | 31% | 0.305 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -156.5 | -166.4 | -179.7 | 70.2 | 2.8 | 0 | 0 | 0 | 109.4 | Y33 E160 V161 | Y33-N158 WeakPolarHBondContact CB-O 3.48Å; Y33-N158 CarbonylContact O-C 3.57Å; N158-E160 VanDerWaalsContact C-N 3.25Å; N158-E160 PolarHBondContact ND2-OE2 3.07Å; N158-E160 PolarHBondContact O-N 3.18Å; N158-E160 PolarHBondContact OD1-N 2.84Å; N158-E160 PolarHBondContact OD1-OE2 3.41Å; N158-V161 PolarHBondContact N-O 3.16Å; N158-V161 CarbonylContact O-C 3.51Å; N158-V161 PolarHBondContact O-N 3.34Å; N158-V161 WeakPolarHBondContact OD1-CB 3.11Å; N158-V161 PolarHBondContact OD1-N 2.04Å |
| 159 | K | 93.5 | Very high | 93.7 | Very high | 124 Ų | 124 | 48.2 Ų | 48.2 | 54% | 0.539 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -65 | -25.2 | -177.9 | 70.4 | -177 | -173.8 | -179.1 | 0 | 114.2 | Y33 G34 G35 Y41 | Y33-K159 PolarHBondContact O-N 3.11Å; Y33-K159 VanDerWaalsContact O-N 3.12Å; G34-K159 VanDerWaalsContact C-CB 3.44Å; G34-K159 WeakPolarHBondContact O-CB 3.47Å; G35-K159 WeakPolarHBondContact CA-O 3.41Å; Y41-K159 PolarHBondContact OH-O 3.29Å |
| 160 | E | 93.4 | Very high | 92.9 | Very high | 80 Ų | 80 | 51.7 Ų | 51.7 | 37% | 0.374 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -99.4 | -16 | 178.4 | -55.8 | 88 | 177.4 | 0 | 0 | 114 | P50 G111 N158 | P50-E160 WeakPolarHBondContact CA-O 3.26Å; P50-E160 VanDerWaalsContact CB-O 3.31Å; P50-E160 WeakPolarHBondContact CB-O 3.37Å; G111-E160 WeakPolarHBondContact CA-O 3.11Å; N158-E160 VanDerWaalsContact C-N 3.25Å; N158-E160 PolarHBondContact ND2-OE2 3.07Å; N158-E160 PolarHBondContact O-N 3.18Å; N158-E160 PolarHBondContact OD1-N 2.84Å; N158-E160 PolarHBondContact OD1-OE2 3.41Å |
| 161 | V | 95.5 | Very high | 92.4 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | trans | -134.5 | 114 | -171.1 | -177.1 | 0 | 0 | 0 | 0 | 109.8 | P50 I68 A110 F155 F157 N158 | P50-V161 WeakPolarHBondContact O-CA 3.33Å; I68-V161 HydrophobicContact CD1-CG1 3.44Å; I68-V161 VanDerWaalsContact CD1-CG1 3.44Å; A110-V161 HydrophobicContact CB-CG1 4.24Å; A110-V161 HydrophobicContact CB-CG2 4.12Å; F155-V161 HydrophobicContact CB-CG1 4.08Å; F157-V161 CarbonylContact C-O 3.54Å; F157-V161 WeakPolarHBondContact CA-O 3.1Å; F157-V161 WeakPolarHBondContact CB-O 3.1Å; F157-V161 HydrophobicContact CD1-CG1 4.5Å; N158-V161 PolarHBondContact N-O 3.16Å; N158-V161 CarbonylContact O-C 3.51Å; N158-V161 PolarHBondContact O-N 3.34Å; N158-V161 WeakPolarHBondContact OD1-CB 3.11Å; N158-V161 PolarHBondContact OD1-N 2.04Å | ||
| 162 | S | 95.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | trans | -152.6 | 155.8 | 176.2 | 61.9 | 0 | 0 | 0 | 0 | 111 | P50 W51 | P50-S162 CarbonylContact C-O 3.55Å; P50-S162 WeakPolarHBondContact CB-OG 3.31Å; P50-S162 WeakPolarHBondContact CG-OG 3.17Å; P50-S162 PolarHBondContact O-N 2.79Å; W51-S162 WeakPolarHBondContact CA-O 3.37Å; W51-S162 VanDerWaalsContact CB-O 3.24Å; W51-S162 WeakPolarHBondContact CB-O 3.34Å; W51-S162 PolarHBondContact N-O 2.87Å | ||
| 163 | P | 96.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -83.9 | 148.9 | -173.5 | 33.7 | -34 | 0 | 0 | 0 | 111.9 | C27 G28 Y33 I68 F157 | C27-P163 HydrophobicContact CB-CB 4.49Å; C27-P163 HydrophobicContact CB-CG 4.09Å; G28-P163 PolarHBondContact N-O 2.88Å; Y33-P163 HydrophobicContact CE2-CG 4.49Å; I68-P163 HydrophobicContact CG2-CB 4.19Å; I68-P163 CarbonylContact O-C 3.08Å; I68-P163 VanDerWaalsContact O-CA 3.31Å; I68-P163 WeakPolarHBondContact O-CA 3.31Å; F157-P163 HydrophobicContact CD2-CG 4.18Å; F157-P163 HydrophobicContact CE1-CB 4.25Å; F157-P163 HydrophobicContact CE1-CG 4.14Å; F157-P163 HydrophobicContact CE2-CB 4.33Å; F157-P163 HydrophobicContact CE2-CG 3.52Å; F157-P163 HydrophobicContact CZ-CB 3.79Å; F157-P163 HydrophobicContact CZ-CG 3.49Å; F157-P163 VanDerWaalsContact CZ-CG 3.49Å |
| 164 | V | 96.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -85.2 | 145.7 | 165.5 | 69.3 | 0 | 0 | 0 | 0 | 109.8 | W51 I68 I69 P70 V234 A241 Q243 | W51-V164 HydrophobicContact CB-CB 3.97Å; W51-V164 HydrophobicContact CB-CG1 4.33Å; W51-V164 HydrophobicContact CD2-CB 3.69Å; W51-V164 HydrophobicContact CD2-CG2 4.13Å; W51-V164 HydrophobicContact CE3-CB 4.02Å; W51-V164 HydrophobicContact CE3-CG2 4.44Å; W51-V164 HydrophobicContact CG-CB 3.68Å; W51-V164 HydrophobicContact CG-CG1 4.28Å; W51-V164 HydrophobicContact CG-CG2 4.47Å; W51-V164 HydrophobicContact CZ2-CG2 4.42Å; I68-V164 PolarHBondContact O-N 2.84Å; I69-V164 HydrophobicContact CG2-CG1 4.37Å; P70-V164 WeakPolarHBondContact CD-O 3.5Å; V164-V234 HydrophobicContact CG2-CG1 3.88Å; V164-V234 HydrophobicContact CG2-CG2 4.08Å; V164-A241 HydrophobicContact CG2-CB 4.08Å; V164-Q243 HydrophobicContact CG1-CB 3.84Å; V164-Q243 HydrophobicContact CG2-CB 4.16Å |
| 165 | C | 95 | Very high | 90 | Very high | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.014 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 152.6 | 170.8 | -62.7 | 0 | 0 | 0 | 0 | 110.6 | C27 K240 A241 Y242 Q243 | C27-C165 HydrophobicContact CB-CB 4.07Å; C27-C165 WeakPolarHBondContact CB-SG 3.35Å; C27-C165 PolarHBondContact O-SG 3.42Å; C27-C165 WeakPolarHBondContact SG-CA 3.23Å; C27-C165 WeakPolarHBondContact SG-CB 3.22Å; C27-C165 CovalentContact SG-SG 2.04Å; C27-C165 PolarHBondContact SG-SG 2.78Å; C165-K240 WeakPolarHBondContact SG-CE 3.1Å; C165-A241 WeakPolarHBondContact CB-O 3.22Å; C165-A241 PolarHBondContact N-O 3.17Å; C165-Y242 HydrophobicContact CB-CD1 3.51Å; C165-Y242 HydrophobicContact CB-CE1 3.66Å; C165-Y242 HydrophobicContact CB-CG 4.17Å; C165-Y242 CarbonylContact O-C 3.59Å; C165-Y242 WeakPolarHBondContact O-CA 3.21Å; C165-Q243 PolarHBondContact O-N 3.21Å |
| 166 | V | 93.9 | Very high | 89.3 | Confident | 40 Ų | 40 | 53.6 Ų | 53.6 | 24% | 0.242 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 132.6 | 176.9 | -173.1 | 0 | 0 | 0 | 0 | 109.3 | I69 L86 V270 L274 | I69-V166 HydrophobicContact CB-CG2 3.75Å; I69-V166 HydrophobicContact CG2-CG2 3.4Å; L86-V166 HydrophobicContact CD1-CG2 4.29Å; V166-V270 HydrophobicContact CG1-CB 3.79Å; V166-V270 HydrophobicContact CG1-CG1 4.35Å; V166-V270 HydrophobicContact CG1-CG2 3.4Å; V166-V270 VanDerWaalsContact CG1-CG2 3.4Å; V166-L274 HydrophobicContact CB-CD1 4.41Å; V166-L274 HydrophobicContact CG1-CD1 3.58Å |
| 167 | K | 89.5 | Confident | 88.7 | Confident | 58 Ų | 58 | 50.6 Ų | 50.6 | 25% | 0.252 | 29% | 0.292 | S | S | . | . | trans | -80.6 | 136.4 | 178.6 | -155.4 | 69.4 | 176.8 | 174.5 | 0 | 111.6 | A171 Y242 Q243 Y244 | K167-A171 HydrophobicContact CB-CB 4.38Å; K167-A171 HydrophobicContact CD-CB 4.48Å; K167-A171 HydrophobicContact CG-CB 3.41Å; K167-A171 VanDerWaalsContact CG-CB 3.41Å; K167-Y242 HydrophobicContact CD-CD1 3.92Å; K167-Y242 HydrophobicContact CD-CE1 4.48Å; K167-Y242 HydrophobicContact CD-CG 4.35Å; K167-Q243 PolarHBondContact N-O 3.21Å; K167-Y244 HydrophobicContact CB-CD1 3.98Å; K167-Y244 HydrophobicContact CB-CE1 3.96Å; K167-Y244 HydrophobicContact CB-CE2 4.48Å; K167-Y244 HydrophobicContact CB-CG 4.3Å; K167-Y244 HydrophobicContact CD-CE1 4.32Å; K167-Y244 HydrophobicContact CG-CD1 4.09Å; K167-Y244 HydrophobicContact CG-CE1 3.59Å | ||
| 168 | A | 74.9 | Confident | 88.5 | Confident | 74 Ų | 74 | 57.3 Ų | 57.3 | 61% | 0.612 | 32% | 0.321 | S | S | * | . | trans | -73.3 | 158.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y170 A171 | A168-Y170 PolarHBondContact O-N 3.33Å; A168-A171 WeakPolarHBondContact O-CB 3.44Å; A168-A171 PolarHBondContact O-N 2.73Å | ||
| 169 | A | 75.9 | Confident | 88.4 | Confident | 86 Ų | 86 | 54.6 Ų | 54.6 | 71% | 0.711 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 30.6 | 66.8 | 162.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | A171 | A169-A171 PolarHBondContact O-N 2.69Å; A169-A171 VanDerWaalsContact O-N 3.11Å |
| 170 | Y | 81.8 | Confident | 88.4 | Confident | 72 Ų | 72 | 48.8 Ų | 48.8 | 28% | 0.282 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 29.1 | 171.4 | -60.2 | -79.1 | 0 | 0 | 0 | 115.1 | A168 K214 H269 A271 T272 | A168-Y170 PolarHBondContact O-N 3.33Å; Y170-K214 HydrophobicContact CD1-CB 3.57Å; Y170-K214 HydrophobicContact CD1-CD 3.72Å; Y170-K214 HydrophobicContact CD1-CG 4.3Å; Y170-K214 HydrophobicContact CD2-CD 4.09Å; Y170-K214 HydrophobicContact CE1-CB 3.85Å; Y170-K214 HydrophobicContact CE1-CD 3.92Å; Y170-K214 HydrophobicContact CE1-CG 4.48Å; Y170-K214 HydrophobicContact CE2-CD 4.29Å; Y170-K214 HydrophobicContact CG-CB 4.36Å; Y170-K214 HydrophobicContact CG-CD 3.8Å; Y170-H269 WeakPolarHBondContact CA-CE1 3.42Å; Y170-H269 VanDerWaalsContact CA-NE2 3.33Å; Y170-H269 WeakPolarHBondContact CA-NE2 3.31Å; Y170-H269 HydrophobicContact CD1-CB 3.89Å; Y170-H269 AromaticContact CD1-CG 3.71Å; Y170-H269 AromaticContact CD1-ND1 3.72Å; Y170-H269 HydrophobicContact CE1-CB 4.16Å; Y170-H269 PolarHBondContact N-CE1 3.06Å; Y170-A271 HydrophobicContact CD1-CB 4.27Å; Y170-A271 HydrophobicContact CD2-CB 4.15Å; Y170-A271 HydrophobicContact CE1-CB 4.22Å; Y170-A271 HydrophobicContact CE2-CB 4.08Å; Y170-A271 HydrophobicContact CG-CB 4.25Å; Y170-T272 WeakPolarHBondContact CE1-OG1 3.15Å; Y170-T272 PolarHBondContact OH-OG1 2.82Å |
| 171 | A | 87.2 | Confident | 88.4 | Confident | 27 Ų | 27 | 45 Ų | 45 | 22% | 0.223 | 26% | 0.263 | C | S | . | . | trans | -59.8 | 146.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | K167 A168 A169 Y244 H269 | K167-A171 HydrophobicContact CB-CB 4.38Å; K167-A171 HydrophobicContact CD-CB 4.48Å; K167-A171 HydrophobicContact CG-CB 3.41Å; K167-A171 VanDerWaalsContact CG-CB 3.41Å; A168-A171 WeakPolarHBondContact O-CB 3.44Å; A168-A171 PolarHBondContact O-N 2.73Å; A169-A171 PolarHBondContact O-N 2.69Å; A169-A171 VanDerWaalsContact O-N 3.11Å; A171-Y244 HydrophobicContact CB-CD1 4.43Å; A171-Y244 HydrophobicContact CB-CE1 4.01Å; A171-Y244 VanDerWaalsContact O-CD1 3.31Å; A171-Y244 WeakPolarHBondContact O-CD1 3.28Å; A171-H269 PolarHBondContact N-NE2 2.79Å; A171-H269 PolarHBondContact O-CD2 2.97Å; A171-H269 PolarHBondContact O-NE2 3.43Å | ||
| 172 | I | 87.2 | Confident | 88.3 | Confident | 95 Ų | 95 | 45 Ų | 45 | 49% | 0.487 | 26% | 0.263 | S | S | . | . | trans | -111.1 | 135.1 | 176.7 | -56.8 | 176.8 | 0 | 0 | 0 | 107.5 | L216 | I172-L216 HydrophobicContact CG1-CD2 4.15Å; I172-L216 HydrophobicContact CG2-CD2 4.26Å | ||
| 173 | P | 88.6 | Confident | 88.1 | Confident | 4 Ų | 4 | 45.6 Ų | 45.6 | 3% | 0.026 | 27% | 0.267 | C | S | . | . | trans | -59.5 | 144.8 | 172.2 | -18.3 | 29.4 | 0 | 0 | 0 | 111.1 | M196 C235 Y244 | P173-M196 HydrophobicContact CB-CG 4.32Å; P173-M196 HydrophobicContact CG-CE 4.31Å; P173-M196 HydrophobicContact CG-CG 4.39Å; P173-C235 HydrophobicContact CB-CB 4.29Å; P173-C235 VanDerWaalsContact CB-SG 3.58Å; P173-C235 WeakPolarHBondContact CG-SG 3.48Å; P173-Y244 HydrophobicContact CB-CE1 4.32Å; P173-Y244 HydrophobicContact CB-CE2 4.41Å; P173-Y244 VanDerWaalsContact CD-CD1 3.47Å; P173-Y244 HydrophobicContact CG-CD1 3.61Å; P173-Y244 HydrophobicContact CG-CD2 3.83Å; P173-Y244 HydrophobicContact CG-CE1 3.84Å; P173-Y244 HydrophobicContact CG-CE2 4.08Å; P173-Y244 HydrophobicContact CG-CG 3.59Å | ||
| 174 | S | 84.9 | Confident | 87.8 | Confident | 62 Ų | 62 | 47.1 Ų | 47.1 | 43% | 0.434 | 27% | 0.273 | S | S | . | . | trans | -58.9 | 148.1 | 166.2 | 178 | 0 | 0 | 0 | 0 | 110.8 | T176 S177 | S174-T176 PolarHBondContact O-N 2.99Å; S174-T176 PolarHBondContact OG-N 3.42Å; S174-T176 PolarHBondContact OG-OG1 2.87Å; S174-S177 PolarHBondContact N-OG 3.15Å; S174-S177 WeakPolarHBondContact O-CB 3.31Å; S174-S177 PolarHBondContact O-N 3.31Å; S174-S177 PolarHBondContact O-OG 3.44Å | ||
| 175 | D | 78.1 | Confident | 87.5 | Confident | 117 Ų | 117 | 50.9 Ų | 50.9 | 63% | 0.626 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -21.4 | 175.2 | -62.9 | -18.3 | 0 | 0 | 0 | 112.6 | ||
| 176 | T | 81.3 | Confident | 87 | Confident | 126 Ų | 126 | 57.2 Ų | 57.2 | 77% | 0.773 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | -8.1 | 174.8 | 58.7 | 0 | 0 | 0 | 0 | 113.5 | S174 | S174-T176 PolarHBondContact O-N 2.99Å; S174-T176 PolarHBondContact OG-N 3.42Å; S174-T176 PolarHBondContact OG-OG1 2.87Å |
| 177 | S | 85 | Confident | 86.6 | Confident | 20 Ų | 20 | 62.5 Ų | 62.5 | 14% | 0.14 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -70.8 | 132.5 | -179.9 | -67.1 | 0 | 0 | 0 | 0 | 110.9 | S174 C179 | S174-S177 PolarHBondContact N-OG 3.15Å; S174-S177 WeakPolarHBondContact O-CB 3.31Å; S174-S177 PolarHBondContact O-N 3.31Å; S174-S177 PolarHBondContact O-OG 3.44Å; S177-C179 PolarHBondContact O-N 3.46Å |
| 178 | K | 90.1 | Very high | 86.6 | Confident | 159 Ų | 159 | 62.6 Ų | 62.6 | 69% | 0.691 | 34% | 0.338 | S | S | * | . | trans | -75.6 | 112.8 | 168.1 | -66.3 | -176.2 | 179 | -177 | 0 | 108.8 | C235 L236 | K178-C235 WeakPolarHBondContact O-CA 3.25Å; K178-L236 PolarHBondContact O-N 2.85Å | ||
| 179 | C | 93 | Very high | 87.4 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 152.4 | 179.5 | -58.8 | 0 | 0 | 0 | 0 | 111.2 | S177 V194 M196 L233 V234 C235 | S177-C179 PolarHBondContact O-N 3.46Å; C179-V194 HydrophobicContact CB-CG2 3.92Å; C179-V194 PolarHBondContact O-N 3.22Å; C179-M196 HydrophobicContact CB-CG 4.15Å; C179-M196 HydrophobicContact CB-SD 4.07Å; C179-M196 VanDerWaalsContact SG-CG 3.55Å; C179-L233 HydrophobicContact CB-CD1 4.25Å; C179-V234 CarbonylContact C-O 3.49Å; C179-V234 WeakPolarHBondContact CA-O 3.41Å; C179-C235 HydrophobicContact CB-CB 4.07Å; C179-C235 WeakPolarHBondContact CB-SG 3.3Å; C179-C235 WeakPolarHBondContact SG-CB 3.16Å; C179-C235 CovalentContact SG-SG 2.04Å; C179-C235 PolarHBondContact SG-SG 2.85Å |
| 180 | F | 91.8 | Very high | 88 | Confident | 2 Ų | 2 | 57.7 Ų | 57.7 | 1% | 0.009 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 159.9 | 177.1 | 51.9 | -89.8 | 0 | 0 | 0 | 110.9 | L42 L49 W51 E191 D192 V234 L236 | L42-F180 HydrophobicContact CD1-CD1 4.5Å; L42-F180 HydrophobicContact CD1-CE1 4.31Å; L42-F180 HydrophobicContact CD2-CD1 3.94Å; L42-F180 HydrophobicContact CD2-CE1 4.06Å; L42-F180 HydrophobicContact CD2-CG 4.34Å; L49-F180 HydrophobicContact CD1-CD2 3.63Å; L49-F180 HydrophobicContact CD1-CE2 2.99Å; L49-F180 HydrophobicContact CD1-CZ 3.54Å; L49-F180 HydrophobicContact CG-CE2 4.47Å; W51-F180 HydrophobicContact CZ2-CE2 4.12Å; W51-F180 AromaticContact CZ2-CZ 3.93Å; W51-F180 HydrophobicContact CZ2-CZ 3.93Å; F180-E191 HydrophobicContact CD2-CB 4.44Å; F180-D192 CarbonylContact C-O 3.6Å; F180-D192 WeakPolarHBondContact CA-O 3.23Å; F180-D192 WeakPolarHBondContact CB-O 3.2Å; F180-V234 HydrophobicContact CD2-CB 4.07Å; F180-V234 HydrophobicContact CE1-CB 4.24Å; F180-V234 HydrophobicContact CE1-CG1 4.06Å; F180-V234 HydrophobicContact CE2-CB 3.39Å; F180-V234 HydrophobicContact CE2-CG1 3.72Å; F180-V234 HydrophobicContact CE2-CG2 4.03Å; F180-V234 HydrophobicContact CZ-CB 3.51Å; F180-V234 HydrophobicContact CZ-CG1 3.31Å; F180-V234 HydrophobicContact CZ-CG2 4.48Å; F180-V234 PolarHBondContact N-O 3.35Å; F180-V234 PolarHBondContact O-N 3.35Å; F180-L236 HydrophobicContact CE1-CD2 3.97Å; F180-L236 HydrophobicContact CE1-CG 4.24Å; F180-L236 HydrophobicContact CZ-CD2 4.49Å |
| 181 | V | 93.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 136.3 | 175.1 | 64.1 | 0 | 0 | 0 | 0 | 109.7 | T183 D192 V194 P232 Y267 | V181-T183 HydrophobicContact CG1-CG2 4.31Å; V181-D192 HydrophobicContact CG1-CB 4.33Å; V181-D192 PolarHBondContact N-O 3.22Å; V181-D192 PolarHBondContact O-N 3.2Å; V181-V194 HydrophobicContact CB-CG1 4.43Å; V181-V194 HydrophobicContact CG1-CG1 3.68Å; V181-P232 WeakPolarHBondContact CA-O 3.41Å; V181-Y267 HydrophobicContact CB-CE1 4.2Å; V181-Y267 HydrophobicContact CG2-CE1 3.81Å |
| 182 | S | 93.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 137.8 | 174.9 | -43.7 | 0 | 0 | 0 | 0 | 110.9 | T52 L65 D190 E191 P232 | T52-S182 PolarHBondContact OG1-OG 3.48Å; L65-S182 VanDerWaalsContact CD1-C 3.42Å; L65-S182 WeakPolarHBondContact CD1-O 3.43Å; S182-D190 CarbonylContact C-O 3.46Å; S182-D190 VanDerWaalsContact CA-O 3.27Å; S182-D190 WeakPolarHBondContact CA-O 3.38Å; S182-E191 WeakPolarHBondContact CA-OE2 2.91Å; S182-E191 WeakPolarHBondContact CB-OE2 3.32Å; S182-E191 PolarHBondContact N-OE2 2.77Å; S182-E191 PolarHBondContact OG-OE1 2.93Å; S182-E191 PolarHBondContact OG-OE2 3.47Å; S182-P232 WeakPolarHBondContact OG-CD 3.5Å; S182-P232 WeakPolarHBondContact OG-CG 3.39Å |
| 183 | T | 92 | Very high | 88.4 | Confident | 13 Ų | 13 | 57.7 Ų | 57.7 | 8% | 0.08 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 163.5 | -179.9 | 71.3 | 0 | 0 | 0 | 0 | 110.7 | V181 L189 D190 D192 S228 | V181-T183 HydrophobicContact CG1-CG2 4.31Å; T183-L189 WeakPolarHBondContact O-CA 3.17Å; T183-D190 PolarHBondContact N-O 3.43Å; T183-D190 PolarHBondContact O-N 2.91Å; T183-D192 HydrophobicContact CG2-CB 3.99Å; T183-D192 VanDerWaalsContact CG2-OD2 3.32Å; T183-D192 WeakPolarHBondContact CG2-OD2 2.82Å; T183-S228 WeakPolarHBondContact CG2-OG 3.04Å |
| 184 | Y | 91.7 | Very high | 88.4 | Confident | 33 Ų | 33 | 57.8 Ų | 57.8 | 13% | 0.129 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 104.5 | -179.3 | 174.8 | -104.9 | 0 | 0 | 0 | 111.6 | F62 L115 R187 R188 L189 K227 | F62-Y184 HydrophobicContact CB-CE1 3.89Å; F62-Y184 AromaticContact CD1-CD1 3.52Å; F62-Y184 HydrophobicContact CD1-CD1 3.52Å; F62-Y184 AromaticContact CD1-CE1 3.63Å; F62-Y184 HydrophobicContact CD1-CE1 3.63Å; F62-Y184 HydrophobicContact CD1-CG 4.31Å; F62-Y184 AromaticContact CD2-CD1 3.99Å; F62-Y184 HydrophobicContact CD2-CD1 3.99Å; F62-Y184 HydrophobicContact CD2-CD2 4.3Å; F62-Y184 AromaticContact CD2-CE1 3.97Å; F62-Y184 HydrophobicContact CD2-CE1 3.97Å; F62-Y184 HydrophobicContact CD2-CE2 4.28Å; F62-Y184 HydrophobicContact CD2-CG 4.12Å; F62-Y184 AromaticContact CE1-CD1 3.48Å; F62-Y184 HydrophobicContact CE1-CD1 3.48Å; F62-Y184 VanDerWaalsContact CE1-CD1 3.48Å; F62-Y184 HydrophobicContact CE1-CE1 4.1Å; F62-Y184 AromaticContact CE1-CG 3.98Å; F62-Y184 HydrophobicContact CE1-CG 3.98Å; F62-Y184 AromaticContact CE2-CD1 3.93Å; F62-Y184 HydrophobicContact CE2-CD1 3.93Å; F62-Y184 HydrophobicContact CE2-CD2 4.1Å; F62-Y184 HydrophobicContact CE2-CE1 4.39Å; F62-Y184 AromaticContact CE2-CG 3.75Å; F62-Y184 HydrophobicContact CE2-CG 3.75Å; F62-Y184 AromaticContact CG-CD1 3.76Å; F62-Y184 HydrophobicContact CG-CD1 3.76Å; F62-Y184 AromaticContact CG-CE1 3.54Å; F62-Y184 HydrophobicContact CG-CE1 3.54Å; F62-Y184 HydrophobicContact CG-CG 4.37Å; F62-Y184 AromaticContact CG-CZ 3.98Å; F62-Y184 AromaticContact CZ-CD1 3.67Å; F62-Y184 HydrophobicContact CZ-CD1 3.67Å; F62-Y184 HydrophobicContact CZ-CD2 4.46Å; F62-Y184 HydrophobicContact CZ-CE1 4.43Å; F62-Y184 AromaticContact CZ-CG 3.66Å; F62-Y184 HydrophobicContact CZ-CG 3.66Å; L115-Y184 HydrophobicContact CB-CE2 4.09Å; L115-Y184 HydrophobicContact CD1-CD2 4.22Å; L115-Y184 HydrophobicContact CD1-CE2 3.51Å; L115-Y184 HydrophobicContact CG-CE2 4.07Å; Y184-R187 VanDerWaalsContact CE2-CA 3.48Å; Y184-R187 WeakPolarHBondContact OH-CA 3.12Å; Y184-R188 CarbonylContact C-O 3.55Å; Y184-R188 WeakPolarHBondContact CA-O 3.45Å; Y184-R188 WeakPolarHBondContact CD2-O 3.35Å; Y184-L189 HydrophobicContact CD2-CD1 4.16Å; Y184-L189 HydrophobicContact CD2-CG 4.4Å; Y184-L189 HydrophobicContact CE2-CD1 4.41Å; Y184-K227 WeakPolarHBondContact CB-O 3.43Å; Y184-K227 PolarHBondContact N-O 2.91Å; Y184-K227 WeakPolarHBondContact O-CB 3.29Å; Y184-K227 WeakPolarHBondContact O-CD 3.34Å; Y184-K227 WeakPolarHBondContact O-CG 3.46Å |
| 185 | H | 88.1 | Confident | 88.7 | Confident | 78 Ų | 78 | 62.1 Ų | 62.1 | 36% | 0.361 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 134.9 | -179.1 | -173.8 | -168.2 | 0 | 0 | 0 | 111.1 | R187 R188 E224 K227 | H185-R187 VanDerWaalsContact C-N 3.25Å; H185-R187 PolarHBondContact O-N 3.45Å; H185-R187 VanDerWaalsContact O-N 3.17Å; H185-R188 PolarHBondContact N-O 2.77Å; H185-R188 WeakPolarHBondContact O-CA 3.15Å; H185-R188 VanDerWaalsContact O-CB 3.29Å; H185-R188 WeakPolarHBondContact O-CB 3.27Å; H185-R188 PolarHBondContact O-N 3.07Å; H185-E224 IonicContact CG-OE2 2.79Å; H185-E224 IonicContact ND1-OE2 3.75Å; H185-K227 HydrophobicContact CB-CD 4.48Å; H185-K227 PolarHBondContact CD2-NZ 3.38Å; H185-K227 PolarHBondContact NE2-NZ 3.47Å |
| 186 | N | 85.7 | Confident | 89.2 | Confident | 135 Ų | 135 | 57.9 Ų | 57.9 | 72% | 0.722 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 43.3 | 174.4 | -69.4 | -16.1 | 0 | 0 | 0 | 113.3 | R188 | N186-R188 PolarHBondContact O-N 3.34Š|
| 187 | R | 85.8 | Confident | 89.4 | Confident | 151 Ų | 151 | 52.5 Ų | 52.5 | 57% | 0.57 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.3 | 9.5 | -177.4 | -51 | -179.7 | -177 | 169.9 | 0.6 | 115.2 | R114 L115 Y184 H185 | R114-R187 CarbonylContact C-O 3.52Å; R114-R187 WeakPolarHBondContact CA-O 3.43Å; L115-R187 PolarHBondContact N-O 3.26Å; Y184-R187 VanDerWaalsContact CE2-CA 3.48Å; Y184-R187 WeakPolarHBondContact OH-CA 3.12Å; H185-R187 VanDerWaalsContact C-N 3.25Å; H185-R187 PolarHBondContact O-N 3.45Å; H185-R187 VanDerWaalsContact O-N 3.17Å |
| 188 | R | 89.2 | Confident | 89 | Confident | 61 Ų | 61 | 52.5 Ų | 52.5 | 23% | 0.23 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 138.8 | 177.6 | -164.1 | -173.8 | -176.2 | 147.1 | 10 | 109.9 | S46 D113 R114 Y184 H185 N186 | S46-R188 PolarHBondContact O-NH2 3.23Å; S46-R188 PolarHBondContact OG-NH2 3.42Å; D113-R188 WeakPolarHBondContact O-CA 3.36Å; R114-R188 HydrophobicContact CG-CB 4.47Å; R114-R188 HydrophobicContact CG-CG 4.32Å; Y184-R188 CarbonylContact C-O 3.55Å; Y184-R188 WeakPolarHBondContact CA-O 3.45Å; Y184-R188 WeakPolarHBondContact CD2-O 3.35Å; H185-R188 PolarHBondContact N-O 2.77Å; H185-R188 WeakPolarHBondContact O-CA 3.15Å; H185-R188 VanDerWaalsContact O-CB 3.29Å; H185-R188 WeakPolarHBondContact O-CB 3.27Å; H185-R188 PolarHBondContact O-N 3.07Å; N186-R188 PolarHBondContact O-N 3.34Å |
| 189 | L | 90.6 | Very high | 88 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 140.8 | 166.5 | -67.2 | 71.8 | 0 | 0 | 0 | 107.7 | V48 T52 A54 L65 L112 D113 L115 T183 Y184 | V48-L189 HydrophobicContact CB-CB 4.5Å; V48-L189 HydrophobicContact CG1-CB 3.87Å; V48-L189 HydrophobicContact CG1-CD2 4.17Å; V48-L189 HydrophobicContact CG2-CB 3.76Å; V48-L189 WeakPolarHBondContact CG2-O 3.49Å; T52-L189 HydrophobicContact CG2-CD2 3.93Å; A54-L189 HydrophobicContact CB-CD2 4.31Å; L65-L189 HydrophobicContact CD2-CD2 3.99Å; L65-L189 HydrophobicContact CD2-CG 4.01Å; L112-L189 HydrophobicContact CD1-CD1 3.77Å; D113-L189 PolarHBondContact O-N 3.07Å; L115-L189 HydrophobicContact CD1-CD1 4.41Å; L115-L189 HydrophobicContact CG-CD1 3.99Å; T183-L189 WeakPolarHBondContact O-CA 3.17Å; Y184-L189 HydrophobicContact CD2-CD1 4.16Å; Y184-L189 HydrophobicContact CD2-CG 4.4Å; Y184-L189 HydrophobicContact CE2-CD1 4.41Å |
| 190 | D | 88.4 | Confident | 86.7 | Confident | 55 Ų | 55 | 54 Ų | 54 | 29% | 0.294 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 174.3 | -177.5 | -153.7 | -10.3 | 0 | 0 | 0 | 110.1 | S182 T183 | S182-D190 CarbonylContact C-O 3.46Å; S182-D190 VanDerWaalsContact CA-O 3.27Å; S182-D190 WeakPolarHBondContact CA-O 3.38Å; T183-D190 PolarHBondContact N-O 3.43Å; T183-D190 PolarHBondContact O-N 2.91Å |
| 191 | E | 88.9 | Confident | 85.6 | Confident | 27 Ų | 27 | 58.6 Ų | 58.6 | 13% | 0.126 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 121.2 | 179.3 | -53.8 | -67.2 | 162.1 | 0 | 0 | 109.9 | L49 T52 F180 S182 | L49-E191 HydrophobicContact CD1-CB 4.45Å; L49-E191 VanDerWaalsContact CD1-CD 3.49Å; L49-E191 HydrophobicContact CD1-CG 3.54Å; L49-E191 HydrophobicContact CG-CG 3.9Å; T52-E191 PolarHBondContact OG1-OE1 2.89Å; F180-E191 HydrophobicContact CD2-CB 4.44Å; S182-E191 WeakPolarHBondContact CA-OE2 2.91Å; S182-E191 WeakPolarHBondContact CB-OE2 3.32Å; S182-E191 PolarHBondContact N-OE2 2.77Å; S182-E191 PolarHBondContact OG-OE1 2.93Å; S182-E191 PolarHBondContact OG-OE2 3.47Å |
| 192 | D | 87.6 | Confident | 84.7 | Confident | 28 Ų | 28 | 59 Ų | 59 | 15% | 0.15 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 128.1 | 174.9 | -84.8 | -41.5 | 0 | 0 | 0 | 110 | F180 V181 T183 H220 K222 | F180-D192 CarbonylContact C-O 3.6Å; F180-D192 WeakPolarHBondContact CA-O 3.23Å; F180-D192 WeakPolarHBondContact CB-O 3.2Å; V181-D192 HydrophobicContact CG1-CB 4.33Å; V181-D192 PolarHBondContact N-O 3.22Å; V181-D192 PolarHBondContact O-N 3.2Å; T183-D192 HydrophobicContact CG2-CB 3.99Å; T183-D192 VanDerWaalsContact CG2-OD2 3.32Å; T183-D192 WeakPolarHBondContact CG2-OD2 2.82Å; D192-H220 IonicContact OD2-CE1 2.71Å; D192-K222 IonicContact OD1-NZ 3.68Å; D192-K222 PolarHBondContact OD1-NZ 3.01Å; D192-K222 IonicContact OD2-NZ 3.23Å |
| 193 | I | 88.8 | Confident | 83.3 | Confident | 138 Ų | 138 | 64.6 Ų | 64.6 | 71% | 0.708 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 134.1 | 171.7 | -61.7 | 174.2 | 0 | 0 | 0 | 108.9 | ||
| 194 | V | 89.7 | Confident | 82.4 | Confident | 6 Ų | 6 | 65.1 Ų | 65.1 | 4% | 0.036 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 147 | -179.8 | -62.7 | 0 | 0 | 0 | 0 | 111.7 | C179 V181 M196 L233 | C179-V194 HydrophobicContact CB-CG2 3.92Å; C179-V194 PolarHBondContact O-N 3.22Å; V181-V194 HydrophobicContact CB-CG1 4.43Å; V181-V194 HydrophobicContact CG1-CG1 3.68Å; V194-M196 HydrophobicContact CG2-SD 4.37Å; V194-L233 HydrophobicContact CG2-CD1 3.72Å |
| 195 | R | 89.2 | Confident | 81.1 | Confident | 154 Ų | 154 | 66 Ų | 66 | 58% | 0.581 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98 | 119.8 | 173 | -58.6 | -177 | -144.3 | 99.5 | 11.2 | 108.6 | S218 H219 D221 | R195-S218 CarbonylContact O-C 3.57Å; R195-S218 VanDerWaalsContact O-CA 3.23Å; R195-S218 WeakPolarHBondContact O-CA 3.49Å; R195-S218 VanDerWaalsContact O-CB 3.27Å; R195-S218 WeakPolarHBondContact O-CB 3.5Å; R195-H219 PolarHBondContact O-N 3.14Å; R195-D221 IonicContact CZ-OD2 3.94Å; R195-D221 IonicContact NH1-OD1 2.76Å; R195-D221 IonicContact NH1-OD2 3.96Å; R195-D221 IonicContact NH2-OD2 3.75Å; R195-D221 PolarHBondContact NH2-OD2 3.41Å |
| 196 | M | 89.9 | Confident | 80.2 | Confident | 27 Ų | 27 | 69 Ų | 69 | 13% | 0.133 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 142.3 | -179.3 | -64.4 | -52.2 | -59.8 | 0 | 0 | 111 | P173 C179 V194 L216 C217 L233 | P173-M196 HydrophobicContact CB-CG 4.32Å; P173-M196 HydrophobicContact CG-CE 4.31Å; P173-M196 HydrophobicContact CG-CG 4.39Å; C179-M196 HydrophobicContact CB-CG 4.15Å; C179-M196 HydrophobicContact CB-SD 4.07Å; C179-M196 VanDerWaalsContact SG-CG 3.55Å; V194-M196 HydrophobicContact CG2-SD 4.37Å; M196-L216 HydrophobicContact CE-CB 4.16Å; M196-C217 VanDerWaalsContact CE-O 3.25Å; M196-C217 WeakPolarHBondContact CE-O 3.21Å; M196-L233 HydrophobicContact CE-CD2 3.63Å; M196-L233 HydrophobicContact SD-CD1 3.85Å; M196-L233 HydrophobicContact SD-CD2 3.94Å; M196-L233 HydrophobicContact SD-CG 4.42Å |
| 197 | V | 85.4 | Confident | 79.6 | Confident | 14 Ų | 14 | 64.5 Ų | 64.5 | 9% | 0.085 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 123.7 | 164.5 | -179.6 | 0 | 0 | 0 | 0 | 106.1 | G199 L201 C202 C217 H219 L264 | V197-G199 PolarHBondContact O-N 3.04Å; V197-L201 HydrophobicContact CG1-CB 4.19Å; V197-C202 HydrophobicContact CG1-CB 4.4Å; V197-C217 HydrophobicContact CB-CB 4.08Å; V197-C217 PolarHBondContact N-O 2.84Å; V197-H219 VanDerWaalsContact CG2-CD2 3.42Å; V197-H219 WeakPolarHBondContact CG2-CD2 3.38Å; V197-H219 WeakPolarHBondContact CG2-NE2 3.29Å; V197-L264 HydrophobicContact CG2-CD2 4.08Å |
| 198 | P | 76.3 | Confident | 79.1 | Confident | 19 Ų | 19 | 61.5 Ų | 61.5 | 12% | 0.123 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -51.7 | 133.6 | 175.7 | -27.5 | 34.6 | 0 | 0 | 0 | 110.4 | F200 L201 C202 | P198-F200 HydrophobicContact CB-CD1 3.7Å; P198-F200 HydrophobicContact CB-CE1 3.35Å; P198-F200 HydrophobicContact CB-CZ 4.03Å; P198-F200 HydrophobicContact CG-CE1 4.29Å; P198-F200 PolarHBondContact O-N 2.72Å; P198-F200 VanDerWaalsContact O-N 3.11Å; P198-L201 HydrophobicContact CB-CB 4.24Å; P198-L201 HydrophobicContact CB-CD1 4.14Å; P198-L201 HydrophobicContact CB-CG 4.15Å; P198-L201 HydrophobicContact CG-CD1 3.92Å; P198-L201 HydrophobicContact CG-CG 4.46Å; P198-L201 CarbonylContact O-C 3.52Å; P198-L201 VanDerWaalsContact O-CA 3.32Å; P198-L201 WeakPolarHBondContact O-CA 3.46Å; P198-L201 WeakPolarHBondContact O-CB 3.28Å; P198-L201 PolarHBondContact O-N 2.93Å; P198-C202 PolarHBondContact O-N 2.93Å |
| 199 | G | 69.3 | Low | 78.5 | Confident | 19 Ų | 19 | 61 Ų | 61 | 20% | 0.196 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -56.5 | -34.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | V197 L201 C202 | V197-G199 PolarHBondContact O-N 3.04Å; G199-L201 VanDerWaalsContact C-N 3.27Å; G199-L201 PolarHBondContact O-N 2.91Å; G199-C202 PolarHBondContact O-N 3.07Å |
| 200 | F | 66.3 | Low | 78 | Confident | 172 Ų | 172 | 61 Ų | 61 | 75% | 0.754 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -70.5 | -21.7 | 175 | 72.9 | -87.9 | 0 | 0 | 0 | 113.7 | P198 | P198-F200 HydrophobicContact CB-CD1 3.7Å; P198-F200 HydrophobicContact CB-CE1 3.35Å; P198-F200 HydrophobicContact CB-CZ 4.03Å; P198-F200 HydrophobicContact CG-CE1 4.29Å; P198-F200 PolarHBondContact O-N 2.72Å; P198-F200 VanDerWaalsContact O-N 3.11Å |
| 201 | L | 68 | Low | 77.5 | Confident | 99 Ų | 99 | 61.6 Ų | 61.6 | 52% | 0.518 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -96.7 | -4.2 | 173.7 | -62 | -178.3 | 0 | 0 | 0 | 112.8 | V197 P198 G199 N203 | V197-L201 HydrophobicContact CG1-CB 4.19Å; P198-L201 HydrophobicContact CB-CB 4.24Å; P198-L201 HydrophobicContact CB-CD1 4.14Å; P198-L201 HydrophobicContact CB-CG 4.15Å; P198-L201 HydrophobicContact CG-CD1 3.92Å; P198-L201 HydrophobicContact CG-CG 4.46Å; P198-L201 CarbonylContact O-C 3.52Å; P198-L201 VanDerWaalsContact O-CA 3.32Å; P198-L201 WeakPolarHBondContact O-CA 3.46Å; P198-L201 WeakPolarHBondContact O-CB 3.28Å; P198-L201 PolarHBondContact O-N 2.93Å; G199-L201 VanDerWaalsContact C-N 3.27Å; G199-L201 PolarHBondContact O-N 2.91Å; L201-N203 PolarHBondContact O-N 2.8Å |
| 202 | C | 74.3 | Confident | 77.1 | Confident | 7 Ų | 7 | 69.2 Ų | 69.2 | 5% | 0.047 | 36% | 0.357 | C | S | . | . | trans | -68.1 | 94.3 | 171.2 | -166.4 | 0 | 0 | 0 | 0 | 107.3 | V197 P198 G199 F204 C217 | V197-C202 HydrophobicContact CG1-CB 4.4Å; P198-C202 PolarHBondContact O-N 2.93Å; G199-C202 PolarHBondContact O-N 3.07Å; C202-F204 HydrophobicContact CB-CD2 4.43Å; C202-F204 HydrophobicContact CB-CE1 4.05Å; C202-F204 HydrophobicContact CB-CE2 3.83Å; C202-F204 HydrophobicContact CB-CZ 3.62Å; C202-F204 WeakPolarHBondContact O-CD2 3.23Å; C202-F204 WeakPolarHBondContact O-CE2 3.24Å; C202-F204 PolarHBondContact O-N 2.82Å; C202-F204 WeakPolarHBondContact SG-CE1 3.24Å; C202-F204 VanDerWaalsContact SG-CZ 3.52Å; C202-C217 HydrophobicContact CB-CB 3.72Å; C202-C217 WeakPolarHBondContact CB-SG 3.28Å; C202-C217 WeakPolarHBondContact SG-CB 3.48Å; C202-C217 CovalentContact SG-SG 2.03Å; C202-C217 PolarHBondContact SG-SG 3.24Å | ||
| 203 | N | 64.9 | Low | 76.7 | Confident | 119 Ų | 119 | 68.5 Ų | 68.5 | 64% | 0.636 | 35% | 0.354 | S | S | * | . | trans | -70.6 | 84.8 | 179 | -175.6 | -3.4 | 0 | 0 | 0 | 107.4 | L201 G205 | L201-N203 PolarHBondContact O-N 2.8Å; N203-G205 PolarHBondContact O-N 3.38Å; N203-G205 VanDerWaalsContact O-N 3.15Å; N203-G205 WeakPolarHBondContact OD1-CA 3.37Å; N203-G205 PolarHBondContact OD1-N 2.94Å; N203-G205 VanDerWaalsContact OD1-N 3.11Å | ||
| 204 | F | 71.6 | Confident | 76.5 | Confident | 23 Ų | 23 | 68.2 Ų | 68.2 | 10% | 0.101 | 35% | 0.348 | C | S | . | . | trans | -63.9 | -17.3 | 178.1 | -64.6 | -67.5 | 0 | 0 | 0 | 111.3 | C202 R206 F207 L210 A211 C217 L251 F266 | C202-F204 HydrophobicContact CB-CD2 4.43Å; C202-F204 HydrophobicContact CB-CE1 4.05Å; C202-F204 HydrophobicContact CB-CE2 3.83Å; C202-F204 HydrophobicContact CB-CZ 3.62Å; C202-F204 WeakPolarHBondContact O-CD2 3.23Å; C202-F204 WeakPolarHBondContact O-CE2 3.24Å; C202-F204 PolarHBondContact O-N 2.82Å; C202-F204 WeakPolarHBondContact SG-CE1 3.24Å; C202-F204 VanDerWaalsContact SG-CZ 3.52Å; F204-R206 CarbonylContact O-C 3.39Å; F204-R206 PolarHBondContact O-N 3.08Å; F204-F207 HydrophobicContact CB-CB 4.45Å; F204-F207 WeakPolarHBondContact CB-O 3.18Å; F204-F207 WeakPolarHBondContact O-CA 3.12Å; F204-F207 WeakPolarHBondContact O-CB 3.31Å; F204-F207 PolarHBondContact O-N 3.45Å; F204-L210 HydrophobicContact CB-CB 4.41Å; F204-L210 HydrophobicContact CD1-CB 3.61Å; F204-L210 HydrophobicContact CD1-CD1 3.99Å; F204-L210 HydrophobicContact CD1-CG 4.45Å; F204-L210 HydrophobicContact CE1-CB 3.94Å; F204-L210 HydrophobicContact CE1-CD1 4.38Å; F204-L210 HydrophobicContact CG-CB 3.93Å; F204-A211 HydrophobicContact CD2-CB 4.28Å; F204-C217 WeakPolarHBondContact CE1-SG 3.22Å; F204-L251 HydrophobicContact CD1-CD1 4.02Å; F204-L251 HydrophobicContact CE1-CD1 4.18Å; F204-F266 AromaticContact CE1-CD2 3.8Å; F204-F266 HydrophobicContact CE1-CD2 3.8Å; F204-F266 AromaticContact CE1-CE2 3.7Å; F204-F266 HydrophobicContact CE1-CE2 3.7Å; F204-F266 HydrophobicContact CZ-CE2 4.13Å | ||
| 205 | G | 66.1 | Low | 76.4 | Confident | 52 Ų | 52 | 68.3 Ų | 68.3 | 54% | 0.536 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 41.6 | -90.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 114 | N203 F207 | N203-G205 PolarHBondContact O-N 3.38Å; N203-G205 VanDerWaalsContact O-N 3.15Å; N203-G205 WeakPolarHBondContact OD1-CA 3.37Å; N203-G205 PolarHBondContact OD1-N 2.94Å; N203-G205 VanDerWaalsContact OD1-N 3.11Å; G205-F207 VanDerWaalsContact C-N 3.26Å; G205-F207 PolarHBondContact O-N 2.83Å |
| 206 | R | 68.3 | Low | 76.5 | Confident | 142 Ų | 142 | 61.2 Ų | 61.2 | 54% | 0.536 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -9.7 | 178.7 | -64.9 | -179.6 | 171.6 | -145.6 | -17.4 | 115.6 | F204 P208 | F204-R206 CarbonylContact O-C 3.39Å; F204-R206 PolarHBondContact O-N 3.08Å; R206-P208 WeakPolarHBondContact O-CD 3.26Å |
| 207 | F | 72.4 | Confident | 76.6 | Confident | 39 Ų | 39 | 59.9 Ų | 59.9 | 17% | 0.171 | 32% | 0.317 | C | S | . | . | trans | -126.6 | 52.5 | -175.4 | -49.9 | -75.1 | 0 | 0 | 0 | 110.5 | F204 G205 E209 L210 L251 | F204-F207 HydrophobicContact CB-CB 4.45Å; F204-F207 WeakPolarHBondContact CB-O 3.18Å; F204-F207 WeakPolarHBondContact O-CA 3.12Å; F204-F207 WeakPolarHBondContact O-CB 3.31Å; F204-F207 PolarHBondContact O-N 3.45Å; G205-F207 VanDerWaalsContact C-N 3.26Å; G205-F207 PolarHBondContact O-N 2.83Å; F207-E209 WeakPolarHBondContact CA-OE2 3.26Å; F207-E209 PolarHBondContact O-N 2.94Å; F207-L210 HydrophobicContact CB-CB 4.38Å; F207-L210 HydrophobicContact CB-CD1 3.56Å; F207-L210 HydrophobicContact CB-CG 3.77Å; F207-L210 HydrophobicContact CG-CD1 4.1Å; F207-L210 WeakPolarHBondContact O-CB 3.23Å; F207-L210 PolarHBondContact O-N 2.79Å; F207-L251 HydrophobicContact CD2-CB 4.49Å; F207-L251 HydrophobicContact CD2-CD2 3.96Å; F207-L251 HydrophobicContact CE2-CB 4.13Å; F207-L251 HydrophobicContact CE2-CD2 3.91Å; F207-L251 HydrophobicContact CG-CD2 4.41Å; F207-L251 HydrophobicContact CZ-CD2 4.33Å | ||
| 208 | P | 76.4 | Confident | 76.8 | Confident | 88 Ų | 88 | 59.2 Ų | 59.2 | 57% | 0.571 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -56.9 | -25 | -176.3 | 26.8 | -36.1 | 0 | 0 | 0 | 112.9 | R206 L210 A211 | R206-P208 WeakPolarHBondContact O-CD 3.26Å; P208-L210 PolarHBondContact O-N 3.19Å; P208-A211 VanDerWaalsContact O-CB 3.28Å; P208-A211 WeakPolarHBondContact O-CB 3.04Å; P208-A211 PolarHBondContact O-N 3.48Å |
| 209 | E | 75.4 | Confident | 77.2 | Confident | 52 Ų | 52 | 61.8 Ų | 61.8 | 24% | 0.243 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -62.1 | -26.6 | 174.1 | 71.6 | -81.3 | -166.3 | 0 | 0 | 113.4 | T137 F207 A211 | T137-E209 VanDerWaalsContact OG1-CG 3.23Å; T137-E209 WeakPolarHBondContact OG1-CG 3.45Å; T137-E209 PolarHBondContact OG1-OE1 2.89Å; F207-E209 WeakPolarHBondContact CA-OE2 3.26Å; F207-E209 PolarHBondContact O-N 2.94Å; E209-A211 VanDerWaalsContact C-N 3.28Å; E209-A211 PolarHBondContact O-N 2.85Å |
| 210 | L | 80.7 | Confident | 77.6 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | G | 310 helix | trans | -72.7 | -21.9 | 178 | -61.2 | -176.8 | 0 | 0 | 0 | 112.7 | T137 I142 F204 F207 P208 K212 T213 L251 F266 | T137-L210 HydrophobicContact CG2-CD2 4.24Å; I142-L210 HydrophobicContact CD1-CD1 3.75Å; I142-L210 HydrophobicContact CD1-CD2 4.05Å; I142-L210 HydrophobicContact CG2-CD2 3.73Å; F204-L210 HydrophobicContact CB-CB 4.41Å; F204-L210 HydrophobicContact CD1-CB 3.61Å; F204-L210 HydrophobicContact CD1-CD1 3.99Å; F204-L210 HydrophobicContact CD1-CG 4.45Å; F204-L210 HydrophobicContact CE1-CB 3.94Å; F204-L210 HydrophobicContact CE1-CD1 4.38Å; F204-L210 HydrophobicContact CG-CB 3.93Å; F207-L210 HydrophobicContact CB-CB 4.38Å; F207-L210 HydrophobicContact CB-CD1 3.56Å; F207-L210 HydrophobicContact CB-CG 3.77Å; F207-L210 HydrophobicContact CG-CD1 4.1Å; F207-L210 WeakPolarHBondContact O-CB 3.23Å; F207-L210 PolarHBondContact O-N 2.79Å; P208-L210 PolarHBondContact O-N 3.19Å; L210-K212 PolarHBondContact O-N 3.5Å; L210-K212 VanDerWaalsContact O-N 3.07Å; L210-T213 HydrophobicContact CD2-CG2 4.14Å; L210-T213 WeakPolarHBondContact O-CB 3.41Å; L210-T213 PolarHBondContact O-N 2.61Å; L210-T213 PolarHBondContact O-OG1 3.27Å; L210-L251 HydrophobicContact CD1-CD1 4.04Å; L210-L251 HydrophobicContact CD1-CD2 3.86Å; L210-F266 HydrophobicContact CB-CE2 4.4Å; L210-F266 HydrophobicContact CD1-CD2 4.31Å; L210-F266 HydrophobicContact CD1-CE2 4.27Å; L210-F266 HydrophobicContact CD2-CZ 4.24Å |
| 211 | A | 78.5 | Confident | 77.7 | Confident | 67 Ų | 67 | 59.8 Ų | 59.8 | 55% | 0.554 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -57.8 | -27.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F204 P208 E209 | F204-A211 HydrophobicContact CD2-CB 4.28Å; P208-A211 VanDerWaalsContact O-CB 3.28Å; P208-A211 WeakPolarHBondContact O-CB 3.04Å; P208-A211 PolarHBondContact O-N 3.48Å; E209-A211 VanDerWaalsContact C-N 3.28Å; E209-A211 PolarHBondContact O-N 2.85Å |
| 212 | K | 79.9 | Confident | 77.7 | Confident | 188 Ų | 188 | 60.3 Ų | 60.3 | 82% | 0.817 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -86.2 | -13.5 | 179.3 | -62.9 | -177.7 | -178.4 | 178.2 | 0 | 114 | L210 K214 | L210-K212 PolarHBondContact O-N 3.5Å; L210-K212 VanDerWaalsContact O-N 3.07Å; K212-K214 VanDerWaalsContact C-N 3.29Å; K212-K214 PolarHBondContact O-N 3.09Å |
| 213 | T | 79.1 | Confident | 77.2 | Confident | 13 Ų | 13 | 65.6 Ų | 65.6 | 8% | 0.08 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -13.4 | -172.5 | 64.7 | 0 | 0 | 0 | 0 | 113.8 | Y135 L210 G215 F266 | Y135-T213 HydrophobicContact CD1-CG2 3.72Å; Y135-T213 HydrophobicContact CE1-CG2 4.26Å; Y135-T213 HydrophobicContact CG-CG2 3.99Å; L210-T213 HydrophobicContact CD2-CG2 4.14Å; L210-T213 WeakPolarHBondContact O-CB 3.41Å; L210-T213 PolarHBondContact O-N 2.61Å; L210-T213 PolarHBondContact O-OG1 3.27Å; T213-G215 PolarHBondContact O-N 2.61Å; T213-G215 PolarHBondContact OG1-N 3.17Å; T213-F266 WeakPolarHBondContact OG1-CZ 3.38Å |
| 214 | K | 84.5 | Confident | 77.3 | Confident | 132 Ų | 132 | 63.5 Ų | 63.5 | 57% | 0.574 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 30.9 | -170.9 | -54.7 | -179.3 | 179.7 | -178.5 | 0 | 112.6 | Y170 K212 H269 | Y170-K214 HydrophobicContact CD1-CB 3.57Å; Y170-K214 HydrophobicContact CD1-CD 3.72Å; Y170-K214 HydrophobicContact CD1-CG 4.3Å; Y170-K214 HydrophobicContact CD2-CD 4.09Å; Y170-K214 HydrophobicContact CE1-CB 3.85Å; Y170-K214 HydrophobicContact CE1-CD 3.92Å; Y170-K214 HydrophobicContact CE1-CG 4.48Å; Y170-K214 HydrophobicContact CE2-CD 4.29Å; Y170-K214 HydrophobicContact CG-CB 4.36Å; Y170-K214 HydrophobicContact CG-CD 3.8Å; K212-K214 VanDerWaalsContact C-N 3.29Å; K212-K214 PolarHBondContact O-N 3.09Å; K214-H269 WeakPolarHBondContact O-CB 3.16Å |
| 215 | G | 88.6 | Confident | 77.1 | Confident | 8 Ų | 8 | 63.1 Ų | 63.1 | 8% | 0.082 | 33% | 0.332 | C | S | . | . | trans | -69 | 173.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | T213 Y267 | T213-G215 PolarHBondContact O-N 2.61Å; T213-G215 PolarHBondContact OG1-N 3.17Å; G215-Y267 CarbonylContact C-O 3.53Å; G215-Y267 VanDerWaalsContact CA-O 3.25Å; G215-Y267 WeakPolarHBondContact CA-O 3.47Å | ||
| 216 | L | 91.2 | Very high | 77.2 | Confident | 4 Ų | 4 | 69 Ų | 69 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 157.1 | 178.6 | -56.3 | 167 | 0 | 0 | 0 | 109.6 | I172 M196 L233 Y267 | I172-L216 HydrophobicContact CG1-CD2 4.15Å; I172-L216 HydrophobicContact CG2-CD2 4.26Å; M196-L216 HydrophobicContact CE-CB 4.16Å; L216-L233 HydrophobicContact CB-CD2 4.25Å; L216-L233 HydrophobicContact CD1-CD2 3.84Å; L216-Y267 PolarHBondContact N-O 2.89Å; L216-Y267 PolarHBondContact O-N 3.45Å |
| 217 | C | 90.3 | Very high | 78.1 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 149.4 | 178.6 | -58 | 0 | 0 | 0 | 0 | 111.5 | M196 V197 C202 F204 H265 | M196-C217 VanDerWaalsContact CE-O 3.25Å; M196-C217 WeakPolarHBondContact CE-O 3.21Å; V197-C217 HydrophobicContact CB-CB 4.08Å; V197-C217 PolarHBondContact N-O 2.84Å; C202-C217 HydrophobicContact CB-CB 3.72Å; C202-C217 WeakPolarHBondContact CB-SG 3.28Å; C202-C217 WeakPolarHBondContact SG-CB 3.48Å; C202-C217 CovalentContact SG-SG 2.03Å; C202-C217 PolarHBondContact SG-SG 3.24Å; F204-C217 WeakPolarHBondContact CE1-SG 3.22Å; C217-H265 VanDerWaalsContact CA-O 3.23Å; C217-H265 WeakPolarHBondContact CA-O 3.17Å |
| 218 | S | 90 | Very high | 79 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 154.5 | 169.4 | 74.8 | 0 | 0 | 0 | 0 | 110.6 | R195 L264 H265 Y267 | R195-S218 CarbonylContact O-C 3.57Å; R195-S218 VanDerWaalsContact O-CA 3.23Å; R195-S218 WeakPolarHBondContact O-CA 3.49Å; R195-S218 VanDerWaalsContact O-CB 3.27Å; R195-S218 WeakPolarHBondContact O-CB 3.5Å; S218-L264 WeakPolarHBondContact O-CA 3.39Å; S218-H265 PolarHBondContact N-O 2.97Å; S218-H265 VanDerWaalsContact N-O 3.11Å; S218-H265 PolarHBondContact O-N 3.44Å; S218-Y267 VanDerWaalsContact OG-CE2 3.28Å; S218-Y267 WeakPolarHBondContact OG-CE2 3.45Å; S218-Y267 PolarHBondContact OG-OH 2.88Å |
| 219 | H | 85.2 | Confident | 79.9 | Confident | 73 Ų | 73 | 60.3 Ų | 60.3 | 34% | 0.338 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 139.6 | 167.3 | -70.6 | -76.6 | 0 | 0 | 0 | 109.6 | R195 V197 | R195-H219 PolarHBondContact O-N 3.14Å; V197-H219 VanDerWaalsContact CG2-CD2 3.42Å; V197-H219 WeakPolarHBondContact CG2-CD2 3.38Å; V197-H219 WeakPolarHBondContact CG2-NE2 3.29Å |
| 220 | H | 77.4 | Confident | 80.9 | Confident | 19 Ų | 19 | 57.9 Ų | 57.9 | 9% | 0.088 | 29% | 0.293 | C | S | . | . | trans | -135.6 | 126.2 | 170.5 | -164.3 | 59.7 | 0 | 0 | 0 | 111.1 | D192 K222 H265 | D192-H220 IonicContact OD2-CE1 2.71Å; H220-K222 VanDerWaalsContact C-N 3.33Å; H220-K222 PolarHBondContact CD2-O 2.71Å; H220-H265 WeakPolarHBondContact CB-NE2 3.41Å; H220-H265 AromaticContact CD2-CD2 3.99Å; H220-H265 AromaticContact CD2-CE1 2.99Å; H220-H265 PolarHBondContact CD2-CE1 3.25Å; H220-H265 AromaticContact CD2-ND1 3.95Å; H220-H265 AromaticContact CD2-NE2 3Å; H220-H265 PolarHBondContact CD2-NE2 2.66Å; H220-H265 AromaticContact CE1-CE1 3.86Å; H220-H265 AromaticContact CG-CE1 3.19Å; H220-H265 AromaticContact CG-ND1 3.71Å; H220-H265 AromaticContact CG-NE2 3.39Å; H220-H265 AromaticContact ND1-CE1 3.72Å; H220-H265 AromaticContact NE2-CE1 3.47Å; H220-H265 PolarHBondContact NE2-CE1 3.17Å; H220-H265 AromaticContact NE2-NE2 3.85Å | ||
| 221 | D | 68.6 | Low | 81.7 | Confident | 129 Ų | 129 | 57.8 Ų | 57.8 | 69% | 0.69 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -84.7 | -8.5 | -174.6 | -60.9 | -29.4 | 0 | 0 | 0 | 112 | R195 | R195-D221 IonicContact CZ-OD2 3.94Å; R195-D221 IonicContact NH1-OD1 2.76Å; R195-D221 IonicContact NH1-OD2 3.96Å; R195-D221 IonicContact NH2-OD2 3.75Å; R195-D221 PolarHBondContact NH2-OD2 3.41Å |
| 222 | K | 67.5 | Low | 82.6 | Confident | 111 Ų | 111 | 54.6 Ų | 54.6 | 48% | 0.483 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -114.4 | 152.3 | -179.2 | -56.8 | 173.7 | -173.3 | 162.4 | 0 | 111 | D192 H220 E224 | D192-K222 IonicContact OD1-NZ 3.68Å; D192-K222 PolarHBondContact OD1-NZ 3.01Å; D192-K222 IonicContact OD2-NZ 3.23Å; H220-K222 VanDerWaalsContact C-N 3.33Å; H220-K222 PolarHBondContact CD2-O 2.71Å; K222-E224 PolarHBondContact O-N 3.4Å |
| 223 | T | 64.7 | Low | 83.3 | Confident | 117 Ų | 117 | 45.7 Ų | 45.7 | 72% | 0.718 | 23% | 0.228 | S | C | * | . | trans | -97.6 | 29.6 | -175.4 | 56.8 | 0 | 0 | 0 | 0 | 113.7 | A225 | T223-A225 PolarHBondContact O-N 2.86Š| ||
| 224 | E | 66.4 | Low | 84.1 | Confident | 75 Ų | 75 | 45 Ų | 45 | 35% | 0.35 | 22% | 0.224 | S | C | . | . | trans | -102.8 | 39.7 | -168.7 | -65.2 | -146.1 | 143.7 | 0 | 0 | 114.2 | H185 K222 E226 K227 | H185-E224 IonicContact CG-OE2 2.79Å; H185-E224 IonicContact ND1-OE2 3.75Å; K222-E224 PolarHBondContact O-N 3.4Å; E224-E226 PolarHBondContact O-N 2.89Å; E224-K227 HydrophobicContact CB-CD 4.19Å; E224-K227 WeakPolarHBondContact O-CB 3.29Å; E224-K227 PolarHBondContact O-N 2.95Å; E224-K227 IonicContact OE1-NZ 3.53Å; E224-K227 PolarHBondContact OE1-NZ 3.29Å; E224-K227 VanDerWaalsContact OE2-CD 3.27Å; E224-K227 WeakPolarHBondContact OE2-CD 3.44Å; E224-K227 IonicContact OE2-NZ 3.94Å; E224-K227 PolarHBondContact OE2-NZ 3.26Å | ||
| 225 | A | 67.2 | Low | 84.6 | Confident | 15 Ų | 15 | 38.8 Ų | 38.8 | 12% | 0.124 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -46.3 | -48.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | T223 K227 S228 Y247 E250 | T223-A225 PolarHBondContact O-N 2.86Å; A225-K227 PolarHBondContact O-N 3.23Å; A225-S228 PolarHBondContact O-N 3.42Å; A225-S228 VanDerWaalsContact O-N 3.13Å; A225-Y247 WeakPolarHBondContact CA-OH 3.42Å; A225-Y247 WeakPolarHBondContact CB-OH 3.42Å; A225-Y247 WeakPolarHBondContact O-CE1 3.4Å; A225-Y247 PolarHBondContact O-OH 3.46Å; A225-E250 HydrophobicContact CB-CB 3.58Å; A225-E250 HydrophobicContact CB-CG 4.5Å; A225-E250 WeakPolarHBondContact CB-OE2 3.39Å |
| 226 | E | 69.7 | Low | 84.7 | Confident | 175 Ų | 175 | 40.2 Ų | 40.2 | 82% | 0.818 | 20% | 0.202 | S | C | * | . | G | 310 helix | trans | -63.1 | -28.7 | -173.2 | -68 | -169.7 | 162.8 | 0 | 0 | 112.9 | E224 S228 L229 | E224-E226 PolarHBondContact O-N 2.89Å; E226-S228 PolarHBondContact O-N 2.75Å; E226-L229 WeakPolarHBondContact O-CB 3.1Å; E226-L229 PolarHBondContact O-N 2.75Å |
| 227 | K | 85.5 | Confident | 84.6 | Confident | 57 Ų | 57 | 42.8 Ų | 42.8 | 25% | 0.248 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -73.8 | -13.3 | -178.3 | -72.7 | 170.4 | 172.2 | 172.2 | 0 | 112.9 | Y184 H185 E224 A225 | Y184-K227 WeakPolarHBondContact CB-O 3.43Å; Y184-K227 PolarHBondContact N-O 2.91Å; Y184-K227 WeakPolarHBondContact O-CB 3.29Å; Y184-K227 WeakPolarHBondContact O-CD 3.34Å; Y184-K227 WeakPolarHBondContact O-CG 3.46Å; H185-K227 HydrophobicContact CB-CD 4.48Å; H185-K227 PolarHBondContact CD2-NZ 3.38Å; H185-K227 PolarHBondContact NE2-NZ 3.47Å; E224-K227 HydrophobicContact CB-CD 4.19Å; E224-K227 WeakPolarHBondContact O-CB 3.29Å; E224-K227 PolarHBondContact O-N 2.95Å; E224-K227 IonicContact OE1-NZ 3.53Å; E224-K227 PolarHBondContact OE1-NZ 3.29Å; E224-K227 VanDerWaalsContact OE2-CD 3.27Å; E224-K227 WeakPolarHBondContact OE2-CD 3.44Å; E224-K227 IonicContact OE2-NZ 3.94Å; E224-K227 PolarHBondContact OE2-NZ 3.26Å; A225-K227 PolarHBondContact O-N 3.23Å |
| 228 | S | 93 | Very high | 84.4 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.014 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -101.4 | -1.9 | 179 | -53.1 | 0 | 0 | 0 | 0 | 112.6 | T183 A225 E226 G230 G231 Y247 | T183-S228 WeakPolarHBondContact CG2-OG 3.04Å; A225-S228 PolarHBondContact O-N 3.42Å; A225-S228 VanDerWaalsContact O-N 3.13Å; E226-S228 PolarHBondContact O-N 2.75Å; S228-G230 PolarHBondContact O-N 3.39Å; S228-G231 WeakPolarHBondContact O-CA 3.35Å; S228-G231 PolarHBondContact O-N 2.82Å; S228-Y247 WeakPolarHBondContact O-CB 3.43Å; S228-Y247 WeakPolarHBondContact O-CD1 3.23Å |
| 229 | L | 94.8 | Very high | 84.2 | Confident | 29 Ų | 29 | 53.4 Ų | 53.4 | 15% | 0.152 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | 123.1 | -175.8 | -172.8 | 64.2 | 0 | 0 | 0 | 112 | C64 L65 A88 E226 G231 L248 | C64-L229 WeakPolarHBondContact CA-O 3.34Å; C64-L229 VanDerWaalsContact CB-O 3.29Å; C64-L229 WeakPolarHBondContact CB-O 3.38Å; C64-L229 VanDerWaalsContact SG-CD2 3.58Å; L65-L229 PolarHBondContact N-O 2.92Å; A88-L229 HydrophobicContact CB-CD1 3.94Å; A88-L229 HydrophobicContact CB-CG 4.27Å; E226-L229 WeakPolarHBondContact O-CB 3.1Å; E226-L229 PolarHBondContact O-N 2.75Å; L229-G231 PolarHBondContact O-N 2.69Å; L229-L248 WeakPolarHBondContact CD1-O 3.27Å |
| 230 | G | 96.7 | Very high | 84.5 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.3 | -4.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115 | L65 G66 S228 Y247 | L65-G230 CarbonylContact C-O 3.48Å; L65-G230 CarbonylContact O-C 3.56Å; G66-G230 WeakPolarHBondContact CA-O 3.41Å; S228-G230 PolarHBondContact O-N 3.39Å; G230-Y247 PolarHBondContact N-O 2.91Å |
| 231 | G | 96.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | trans | -62.4 | 139.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S228 L229 Y247 | S228-G231 WeakPolarHBondContact O-CA 3.35Å; S228-G231 PolarHBondContact O-N 2.82Å; L229-G231 PolarHBondContact O-N 2.69Å; G231-Y247 PolarHBondContact O-N 3.41Å | ||
| 232 | P | 97.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 137.2 | -180 | 32.6 | -37.7 | 0 | 0 | 0 | 111.2 | V181 S182 V234 Q243 | V181-P232 WeakPolarHBondContact CA-O 3.41Å; S182-P232 WeakPolarHBondContact OG-CD 3.5Å; S182-P232 WeakPolarHBondContact OG-CG 3.39Å; P232-V234 HydrophobicContact CB-CG2 3.75Å; P232-V234 HydrophobicContact CG-CG2 4.09Å; P232-Q243 HydrophobicContact CB-CG 3.93Å |
| 233 | L | 95.8 | Very high | 88 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 110.4 | 161.7 | 174.4 | 67.3 | 0 | 0 | 0 | 108.2 | C179 V194 M196 L216 Q243 Y244 G245 Y267 | C179-L233 HydrophobicContact CB-CD1 4.25Å; V194-L233 HydrophobicContact CG2-CD1 3.72Å; M196-L233 HydrophobicContact CE-CD2 3.63Å; M196-L233 HydrophobicContact SD-CD1 3.85Å; M196-L233 HydrophobicContact SD-CD2 3.94Å; M196-L233 HydrophobicContact SD-CG 4.42Å; L216-L233 HydrophobicContact CB-CD2 4.25Å; L216-L233 HydrophobicContact CD1-CD2 3.84Å; L233-Q243 CarbonylContact O-C 3.55Å; L233-Q243 WeakPolarHBondContact O-CA 3.18Å; L233-Y244 PolarHBondContact O-N 2.93Å; L233-G245 PolarHBondContact N-O 3.04Å; L233-G245 PolarHBondContact O-N 2.85Å; L233-Y267 HydrophobicContact CB-CD1 3.55Å; L233-Y267 HydrophobicContact CB-CE1 3.75Å; L233-Y267 HydrophobicContact CB-CG 4.12Å; L233-Y267 HydrophobicContact CD1-CE1 4.12Å; L233-Y267 HydrophobicContact CD1-CE2 4.45Å; L233-Y267 HydrophobicContact CD2-CD1 4.19Å; L233-Y267 HydrophobicContact CD2-CD2 4.01Å; L233-Y267 HydrophobicContact CD2-CE1 4.5Å; L233-Y267 HydrophobicContact CD2-CE2 4.36Å; L233-Y267 HydrophobicContact CD2-CG 3.92Å; L233-Y267 HydrophobicContact CG-CD1 4.31Å; L233-Y267 HydrophobicContact CG-CE1 4.33Å |
| 234 | V | 95.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 136.9 | -175.6 | -178.3 | 0 | 0 | 0 | 0 | 109.7 | W51 V164 C179 F180 P232 A241 Y242 Q243 | W51-V234 HydrophobicContact CZ2-CG1 4.17Å; V164-V234 HydrophobicContact CG2-CG1 3.88Å; V164-V234 HydrophobicContact CG2-CG2 4.08Å; C179-V234 CarbonylContact C-O 3.49Å; C179-V234 WeakPolarHBondContact CA-O 3.41Å; F180-V234 HydrophobicContact CD2-CB 4.07Å; F180-V234 HydrophobicContact CE1-CB 4.24Å; F180-V234 HydrophobicContact CE1-CG1 4.06Å; F180-V234 HydrophobicContact CE2-CB 3.39Å; F180-V234 HydrophobicContact CE2-CG1 3.72Å; F180-V234 HydrophobicContact CE2-CG2 4.03Å; F180-V234 HydrophobicContact CZ-CB 3.51Å; F180-V234 HydrophobicContact CZ-CG1 3.31Å; F180-V234 HydrophobicContact CZ-CG2 4.48Å; F180-V234 PolarHBondContact N-O 3.35Å; F180-V234 PolarHBondContact O-N 3.35Å; P232-V234 HydrophobicContact CB-CG2 3.75Å; P232-V234 HydrophobicContact CG-CG2 4.09Å; V234-A241 HydrophobicContact CG1-CB 3.68Å; V234-Y242 CarbonylContact C-O 3.4Å; V234-Y242 VanDerWaalsContact CA-O 3.29Å; V234-Y242 WeakPolarHBondContact CA-O 3.45Å; V234-Q243 HydrophobicContact CG2-CB 4.24Å; V234-Q243 HydrophobicContact CG2-CG 4.39Å |
| 235 | C | 94.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.007 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 145.9 | 176.4 | -53.2 | 0 | 0 | 0 | 0 | 110.9 | P173 K178 C179 Y242 Y244 | P173-C235 HydrophobicContact CB-CB 4.29Å; P173-C235 VanDerWaalsContact CB-SG 3.58Å; P173-C235 WeakPolarHBondContact CG-SG 3.48Å; K178-C235 WeakPolarHBondContact O-CA 3.25Å; C179-C235 HydrophobicContact CB-CB 4.07Å; C179-C235 WeakPolarHBondContact CB-SG 3.3Å; C179-C235 WeakPolarHBondContact SG-CB 3.16Å; C179-C235 CovalentContact SG-SG 2.04Å; C179-C235 PolarHBondContact SG-SG 2.85Å; C235-Y242 PolarHBondContact N-O 3.08Å; C235-Y242 PolarHBondContact O-N 3.43Å; C235-Y244 HydrophobicContact CB-CD2 3.99Å; C235-Y244 HydrophobicContact CB-CE2 3.76Å |
| 236 | L | 92.1 | Very high | 92.2 | Very high | 37 Ų | 37 | 31.5 Ų | 31.5 | 19% | 0.194 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 128.4 | 176.9 | -58.3 | -170.8 | 0 | 0 | 0 | 111.4 | I38 L42 K178 F180 K240 A241 | I38-L236 HydrophobicContact CD1-CD2 4.19Å; I38-L236 HydrophobicContact CG2-CD1 4.21Å; I38-L236 HydrophobicContact CG2-CD2 3.58Å; L42-L236 HydrophobicContact CD1-CD1 3.49Å; L42-L236 VanDerWaalsContact CD1-CD1 3.49Å; L42-L236 HydrophobicContact CD1-CG 4.3Å; K178-L236 PolarHBondContact O-N 2.85Å; F180-L236 HydrophobicContact CE1-CD2 3.97Å; F180-L236 HydrophobicContact CE1-CG 4.24Å; F180-L236 HydrophobicContact CZ-CD2 4.49Å; L236-K240 WeakPolarHBondContact CA-O 3.44Å; L236-A241 HydrophobicContact CD2-CB 4.07Å |
| 237 | L | 89.1 | Confident | 93.5 | Very high | 58 Ų | 58 | 23.3 Ų | 23.3 | 30% | 0.304 | 13% | 0.131 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 119.1 | 172.7 | -177.4 | 66.9 | 0 | 0 | 0 | 108.2 | G239 K240 Y242 | L237-G239 PolarHBondContact O-N 2.72Å; L237-K240 PolarHBondContact N-O 3.49Å; L237-K240 WeakPolarHBondContact O-CB 3.31Å; L237-K240 PolarHBondContact O-N 3.3Å; L237-Y242 HydrophobicContact CB-CD2 3.9Å; L237-Y242 HydrophobicContact CB-CE2 4.02Å; L237-Y242 HydrophobicContact CD2-CE2 4.33Å |
| 238 | N | 85.6 | Confident | 93.8 | Very high | 162 Ų | 162 | 20.7 Ų | 20.7 | 87% | 0.866 | 12% | 0.119 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51 | 42 | 178.2 | -57.4 | -17.5 | 0 | 0 | 0 | 113.6 | K240 | N238-K240 VanDerWaalsContact C-N 3.3Å; N238-K240 PolarHBondContact O-N 3.47Å |
| 239 | G | 85.5 | Confident | 93.7 | Very high | 61 Ų | 61 | 21.3 Ų | 21.3 | 63% | 0.629 | 12% | 0.124 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.4 | 1.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | I38 L237 | I38-G239 WeakPolarHBondContact CD1-O 3.37Å; L237-G239 PolarHBondContact O-N 2.72Å |
| 240 | K | 91.2 | Very high | 93.4 | Very high | 23 Ų | 23 | 21.8 Ų | 21.8 | 10% | 0.1 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 142 | -175.9 | -177 | 165.6 | -175.7 | 142.4 | 0 | 112.2 | S25 C27 E29 C165 L236 L237 N238 Y242 | S25-K240 PolarHBondContact O-NZ 3.16Å; S25-K240 PolarHBondContact OG-NZ 2.66Å; S25-K240 VanDerWaalsContact OG-NZ 3.16Å; C27-K240 WeakPolarHBondContact O-CE 3.37Å; C27-K240 PolarHBondContact O-NZ 3.27Å; E29-K240 HydrophobicContact CG-CB 4.38Å; E29-K240 HydrophobicContact CG-CD 4.26Å; E29-K240 HydrophobicContact CG-CG 4.08Å; E29-K240 IonicContact OE2-NZ 3.98Å; E29-K240 PolarHBondContact OE2-NZ 2.57Å; C165-K240 WeakPolarHBondContact SG-CE 3.1Å; L236-K240 WeakPolarHBondContact CA-O 3.44Å; L237-K240 PolarHBondContact N-O 3.49Å; L237-K240 WeakPolarHBondContact O-CB 3.31Å; L237-K240 PolarHBondContact O-N 3.3Å; N238-K240 VanDerWaalsContact C-N 3.3Å; N238-K240 PolarHBondContact O-N 3.47Å; K240-Y242 HydrophobicContact CB-CE2 3.86Å; K240-Y242 HydrophobicContact CD-CE2 3.95Å; K240-Y242 WeakPolarHBondContact CD-OH 3.31Å; K240-Y242 HydrophobicContact CG-CD2 4.32Å; K240-Y242 HydrophobicContact CG-CE2 3.65Å |
| 241 | A | 94.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 125.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | G28 I38 W51 V164 C165 V234 L236 | G28-A241 WeakPolarHBondContact CA-O 3.36Å; G28-A241 PolarHBondContact O-N 2.86Å; I38-A241 HydrophobicContact CD1-CB 3.7Å; W51-A241 HydrophobicContact CH2-CB 3.27Å; W51-A241 HydrophobicContact CZ2-CB 3.72Å; W51-A241 HydrophobicContact CZ3-CB 3.96Å; V164-A241 HydrophobicContact CG2-CB 4.08Å; C165-A241 WeakPolarHBondContact CB-O 3.22Å; C165-A241 PolarHBondContact N-O 3.17Å; V234-A241 HydrophobicContact CG1-CB 3.68Å; L236-A241 HydrophobicContact CD2-CB 4.07Å |
| 242 | Y | 95.2 | Very high | 91.7 | Very high | 48 Ų | 48 | 25.6 Ų | 25.6 | 19% | 0.188 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 127.4 | 176.5 | -69.8 | -92 | 0 | 0 | 0 | 110.9 | C165 K167 V234 C235 L237 K240 Y244 | C165-Y242 HydrophobicContact CB-CD1 3.51Å; C165-Y242 HydrophobicContact CB-CE1 3.66Å; C165-Y242 HydrophobicContact CB-CG 4.17Å; C165-Y242 CarbonylContact O-C 3.59Å; C165-Y242 WeakPolarHBondContact O-CA 3.21Å; K167-Y242 HydrophobicContact CD-CD1 3.92Å; K167-Y242 HydrophobicContact CD-CE1 4.48Å; K167-Y242 HydrophobicContact CD-CG 4.35Å; V234-Y242 CarbonylContact C-O 3.4Å; V234-Y242 VanDerWaalsContact CA-O 3.29Å; V234-Y242 WeakPolarHBondContact CA-O 3.45Å; C235-Y242 PolarHBondContact N-O 3.08Å; C235-Y242 PolarHBondContact O-N 3.43Å; L237-Y242 HydrophobicContact CB-CD2 3.9Å; L237-Y242 HydrophobicContact CB-CE2 4.02Å; L237-Y242 HydrophobicContact CD2-CE2 4.33Å; K240-Y242 HydrophobicContact CB-CE2 3.86Å; K240-Y242 HydrophobicContact CD-CE2 3.95Å; K240-Y242 WeakPolarHBondContact CD-OH 3.31Å; K240-Y242 HydrophobicContact CG-CD2 4.32Å; K240-Y242 HydrophobicContact CG-CE2 3.65Å; Y242-Y244 VanDerWaalsContact O-CD2 3.28Å; Y242-Y244 WeakPolarHBondContact O-CD2 3.42Å |
| 243 | Q | 96.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 127.1 | 170.9 | -170.6 | -178.3 | -3 | 0 | 0 | 110.5 | S67 V164 C165 K167 P232 L233 V234 G245 V270 | S67-Q243 VanDerWaalsContact OG-CD 3.31Å; S67-Q243 PolarHBondContact OG-NE2 3.01Å; S67-Q243 PolarHBondContact OG-OE1 2.98Å; V164-Q243 HydrophobicContact CG1-CB 3.84Å; V164-Q243 HydrophobicContact CG2-CB 4.16Å; C165-Q243 PolarHBondContact O-N 3.21Å; K167-Q243 PolarHBondContact N-O 3.21Å; P232-Q243 HydrophobicContact CB-CG 3.93Å; L233-Q243 CarbonylContact O-C 3.55Å; L233-Q243 WeakPolarHBondContact O-CA 3.18Å; V234-Q243 HydrophobicContact CG2-CB 4.24Å; V234-Q243 HydrophobicContact CG2-CG 4.39Å; Q243-G245 WeakPolarHBondContact CG-O 3.31Å; Q243-G245 PolarHBondContact NE2-O 2.92Å; Q243-V270 HydrophobicContact CG-CG1 3.83Å |
| 244 | Y | 95.2 | Very high | 88.4 | Confident | 9 Ų | 9 | 33 Ų | 33 | 4% | 0.035 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | -32.7 | 178.5 | -75.4 | -98.8 | 0 | 0 | 0 | 112.1 | K167 A171 P173 L233 C235 Y242 H269 V270 | K167-Y244 HydrophobicContact CB-CD1 3.98Å; K167-Y244 HydrophobicContact CB-CE1 3.96Å; K167-Y244 HydrophobicContact CB-CE2 4.48Å; K167-Y244 HydrophobicContact CB-CG 4.3Å; K167-Y244 HydrophobicContact CD-CE1 4.32Å; K167-Y244 HydrophobicContact CG-CD1 4.09Å; K167-Y244 HydrophobicContact CG-CE1 3.59Å; A171-Y244 HydrophobicContact CB-CD1 4.43Å; A171-Y244 HydrophobicContact CB-CE1 4.01Å; A171-Y244 VanDerWaalsContact O-CD1 3.31Å; A171-Y244 WeakPolarHBondContact O-CD1 3.28Å; P173-Y244 HydrophobicContact CB-CE1 4.32Å; P173-Y244 HydrophobicContact CB-CE2 4.41Å; P173-Y244 VanDerWaalsContact CD-CD1 3.47Å; P173-Y244 HydrophobicContact CG-CD1 3.61Å; P173-Y244 HydrophobicContact CG-CD2 3.83Å; P173-Y244 HydrophobicContact CG-CE1 3.84Å; P173-Y244 HydrophobicContact CG-CE2 4.08Å; P173-Y244 HydrophobicContact CG-CG 3.59Å; L233-Y244 PolarHBondContact O-N 2.93Å; C235-Y244 HydrophobicContact CB-CD2 3.99Å; C235-Y244 HydrophobicContact CB-CE2 3.76Å; Y242-Y244 VanDerWaalsContact O-CD2 3.28Å; Y242-Y244 WeakPolarHBondContact O-CD2 3.42Å; Y244-H269 PolarHBondContact O-CD2 2.76Å; Y244-V270 WeakPolarHBondContact O-CG2 3.43Å; Y244-V270 PolarHBondContact O-N 3.45Å |
| 245 | G | 95.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 177.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L233 Q243 G268 | L233-G245 PolarHBondContact N-O 3.04Å; L233-G245 PolarHBondContact O-N 2.85Å; Q243-G245 WeakPolarHBondContact CG-O 3.31Å; Q243-G245 PolarHBondContact NE2-O 2.92Å; G245-G268 CarbonylContact C-O 3.5Å; G245-G268 WeakPolarHBondContact CA-O 3.18Å |
| 246 | V | 96.8 | Very high | 84.4 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 126.8 | 173.1 | 173.3 | 0 | 0 | 0 | 0 | 107.4 | L86 T87 A88 I146 L248 Y267 G268 V270 | L86-V246 HydrophobicContact CB-CG2 4.43Å; T87-V246 VanDerWaalsContact C-CG1 3.45Å; A88-V246 HydrophobicContact CB-CG1 4.25Å; I146-V246 HydrophobicContact CG1-CB 4.41Å; I146-V246 HydrophobicContact CG2-CB 4.32Å; I146-V246 HydrophobicContact CG2-CG2 3.92Å; V246-L248 HydrophobicContact CG1-CD2 4.16Å; V246-L248 WeakPolarHBondContact O-CG 3.1Å; V246-L248 PolarHBondContact O-N 3.09Å; V246-Y267 CarbonylContact O-C 3.59Å; V246-Y267 WeakPolarHBondContact O-CA 3.45Å; V246-G268 PolarHBondContact N-O 3.27Å; V246-G268 PolarHBondContact O-N 2.98Å; V246-V270 HydrophobicContact CG2-CG1 4.47Å |
| 247 | Y | 95.5 | Very high | 82.3 | Confident | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.008 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 128.8 | -180 | 176.8 | -88.6 | 0 | 0 | 0 | 111.2 | A225 S228 G230 G231 S249 E250 H265 Y267 | A225-Y247 WeakPolarHBondContact CA-OH 3.42Å; A225-Y247 WeakPolarHBondContact CB-OH 3.42Å; A225-Y247 WeakPolarHBondContact O-CE1 3.4Å; A225-Y247 PolarHBondContact O-OH 3.46Å; S228-Y247 WeakPolarHBondContact O-CB 3.43Å; S228-Y247 WeakPolarHBondContact O-CD1 3.23Å; G230-Y247 PolarHBondContact N-O 2.91Å; G231-Y247 PolarHBondContact O-N 3.41Å; Y247-S249 VanDerWaalsContact OH-C 3.23Å; Y247-E250 PolarHBondContact OH-N 2.97Å; Y247-E250 VanDerWaalsContact OH-N 3.16Å; Y247-H265 HydrophobicContact CD2-CB 3.93Å; Y247-H265 AromaticContact CD2-CG 3.96Å; Y247-H265 AromaticContact CD2-ND1 3.91Å; Y247-H265 HydrophobicContact CE2-CB 3.64Å; Y247-H265 AromaticContact CE2-CD2 3.63Å; Y247-H265 AromaticContact CE2-CE1 3.88Å; Y247-H265 AromaticContact CE2-CG 3.4Å; Y247-H265 AromaticContact CE2-ND1 3.6Å; Y247-H265 AromaticContact CE2-NE2 3.91Å; Y247-Y267 VanDerWaalsContact CA-CD1 3.47Å; Y247-Y267 HydrophobicContact CD2-CD1 4.2Å; Y247-Y267 AromaticContact CD2-CE1 3.79Å; Y247-Y267 HydrophobicContact CD2-CE1 3.79Å; Y247-Y267 HydrophobicContact CG-CD1 4.45Å; Y247-Y267 HydrophobicContact CG-CE1 4.22Å |
| 248 | L | 93.4 | Very high | 80.6 | Confident | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | -40.3 | -176.4 | -58.3 | -175.5 | 0 | 0 | 0 | 113.7 | A88 Y135 I142 G145 L229 V246 F266 | A88-L248 HydrophobicContact CB-CD2 3.53Å; Y135-L248 HydrophobicContact CD2-CD1 3.98Å; Y135-L248 HydrophobicContact CE2-CD1 3.59Å; I142-L248 HydrophobicContact CG2-CD1 4.27Å; G145-L248 VanDerWaalsContact O-CD2 3.25Å; G145-L248 WeakPolarHBondContact O-CD2 3.24Å; L229-L248 WeakPolarHBondContact CD1-O 3.27Å; V246-L248 HydrophobicContact CG1-CD2 4.16Å; V246-L248 WeakPolarHBondContact O-CG 3.1Å; V246-L248 PolarHBondContact O-N 3.09Å; L248-F266 HydrophobicContact CB-CD1 4.24Å; L248-F266 HydrophobicContact CD1-CD1 4.33Å; L248-F266 HydrophobicContact CD1-CE1 4.09Å; L248-F266 PolarHBondContact N-O 2.91Å |
| 249 | S | 90.2 | Very high | 79 | Confident | 15 Ų | 15 | 39.4 Ų | 39.4 | 11% | 0.105 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.6 | 161.7 | -176.3 | -153.3 | 0 | 0 | 0 | 0 | 112.6 | Y247 F266 | Y247-S249 VanDerWaalsContact OH-C 3.23Å; S249-F266 WeakPolarHBondContact O-CB 3.4Å; S249-F266 PolarHBondContact O-N 2.87Å |
| 250 | E | 87.6 | Confident | 77.5 | Confident | 40 Ų | 40 | 42.3 Ų | 42.3 | 19% | 0.187 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 131.7 | 166.7 | 179.3 | -174.2 | 174 | 0 | 0 | 109.1 | A225 Y247 T252 S263 L264 | A225-E250 HydrophobicContact CB-CB 3.58Å; A225-E250 HydrophobicContact CB-CG 4.5Å; A225-E250 WeakPolarHBondContact CB-OE2 3.39Å; Y247-E250 PolarHBondContact OH-N 2.97Å; Y247-E250 VanDerWaalsContact OH-N 3.16Å; E250-T252 HydrophobicContact CG-CG2 4.34Å; E250-S263 WeakPolarHBondContact OE1-CB 3.45Å; E250-S263 PolarHBondContact OE1-OG 2.83Å; E250-L264 CarbonylContact C-O 3.57Å; E250-L264 WeakPolarHBondContact CA-O 3.45Å |
| 251 | L | 82.2 | Confident | 76.2 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 113.3 | 172.8 | -54.5 | 179.6 | 0 | 0 | 0 | 108.1 | I142 F204 F207 L210 L264 F266 | I142-L251 HydrophobicContact CD1-CD2 3.82Å; F204-L251 HydrophobicContact CD1-CD1 4.02Å; F204-L251 HydrophobicContact CE1-CD1 4.18Å; F207-L251 HydrophobicContact CD2-CB 4.49Å; F207-L251 HydrophobicContact CD2-CD2 3.96Å; F207-L251 HydrophobicContact CE2-CB 4.13Å; F207-L251 HydrophobicContact CE2-CD2 3.91Å; F207-L251 HydrophobicContact CG-CD2 4.41Å; F207-L251 HydrophobicContact CZ-CD2 4.33Å; L210-L251 HydrophobicContact CD1-CD1 4.04Å; L210-L251 HydrophobicContact CD1-CD2 3.86Å; L251-L264 HydrophobicContact CB-CB 4.38Å; L251-L264 PolarHBondContact N-O 2.98Å; L251-L264 PolarHBondContact O-N 3.01Å; L251-F266 HydrophobicContact CD1-CB 3.83Å; L251-F266 HydrophobicContact CD1-CD2 4.04Å; L251-F266 HydrophobicContact CD1-CG 4.25Å; L251-F266 HydrophobicContact CD2-CB 4.22Å; L251-F266 HydrophobicContact CG-CB 3.81Å |
| 252 | T | 76.4 | Confident | 75 | Confident | 77 Ų | 77 | 53 Ų | 53 | 47% | 0.472 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 109.3 | 172.9 | 50.2 | 0 | 0 | 0 | 0 | 109.4 | E250 | E250-T252 HydrophobicContact CG-CG2 4.34Å |
| 253 | T | 64.9 | Low | 74.2 | Confident | 28 Ų | 28 | 52.2 Ų | 52.2 | 17% | 0.172 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 123.8 | 170.7 | 63.5 | 0 | 0 | 0 | 0 | 108 | K261 Q262 | T253-K261 WeakPolarHBondContact O-CA 3.46Å; T253-Q262 PolarHBondContact N-O 2.89Å; T253-Q262 PolarHBondContact O-N 2.88Å; T253-Q262 PolarHBondContact OG1-O 2.94Å; T253-Q262 VanDerWaalsContact OG1-O 3.09Å |
| 254 | K | 58 | Low | 73.6 | Confident | 128 Ų | 128 | 52.6 Ų | 52.6 | 56% | 0.557 | 31% | 0.314 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 114.7 | 164.7 | -61.3 | -174.7 | -178.5 | -179.7 | 0 | 106.2 | ||
| 255 | G | 55.2 | Low | 73.4 | Confident | 29 Ų | 29 | 52.2 Ų | 52.2 | 30% | 0.299 | 31% | 0.313 | S | S | . | . | trans | -60.9 | 176.6 | 167 | 0 | 0 | 0 | 0 | 0 | 111.8 | S257 Q260 | G255-S257 PolarHBondContact O-N 2.97Å; G255-Q260 WeakPolarHBondContact CA-O 3.48Å; G255-Q260 PolarHBondContact N-O 3.24Å | ||
| 256 | A | 50.9 | Low | 73.2 | Confident | 113 Ų | 113 | 52.2 Ų | 52.2 | 93% | 0.934 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -58.5 | -20.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 257 | S | 48.4 | Very low | 73.1 | Confident | 63 Ų | 63 | 52.2 Ų | 52.2 | 44% | 0.441 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -122.8 | 149.7 | 171.6 | -177.7 | 0 | 0 | 0 | 0 | 111.5 | G255 S259 Q260 | G255-S257 PolarHBondContact O-N 2.97Å; S257-S259 PolarHBondContact O-N 3.17Å; S257-S259 PolarHBondContact OG-OG 3.07Å; S257-Q260 PolarHBondContact O-N 3.05Å |
| 258 | A | 53.7 | Low | 72.9 | Confident | 83 Ų | 83 | 52.1 Ų | 52.1 | 69% | 0.686 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -20.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 259 | S | 51.9 | Low | 72.9 | Confident | 105 Ų | 105 | 52.1 Ų | 52.1 | 73% | 0.734 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -10.7 | 177.5 | 54.8 | 0 | 0 | 0 | 0 | 114.8 | S257 | S257-S259 PolarHBondContact O-N 3.17Å; S257-S259 PolarHBondContact OG-OG 3.07Å |
| 260 | Q | 54.6 | Low | 73.1 | Confident | 122 Ų | 122 | 51.4 Ų | 51.4 | 57% | 0.57 | 31% | 0.307 | S | S | * | . | trans | -107.4 | 45.1 | -180 | -70 | -179.9 | -21.7 | 0 | 0 | 111.6 | G255 S257 Q262 | G255-Q260 WeakPolarHBondContact CA-O 3.48Å; G255-Q260 PolarHBondContact N-O 3.24Å; S257-Q260 PolarHBondContact O-N 3.05Å; Q260-Q262 PolarHBondContact O-N 2.83Å | ||
| 261 | K | 62.2 | Low | 73.2 | Confident | 139 Ų | 139 | 50 Ų | 50 | 60% | 0.604 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 120.9 | 171.1 | -69.8 | 178.5 | -172.1 | 172.3 | 0 | 108.7 | T253 | T253-K261 WeakPolarHBondContact O-CA 3.46Å |
| 262 | Q | 69.5 | Low | 73.5 | Confident | 107 Ų | 107 | 50.5 Ų | 50.5 | 50% | 0.5 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 126.4 | 169.3 | -66.1 | -175.8 | -0.9 | 0 | 0 | 109.1 | T253 Q260 | T253-Q262 PolarHBondContact N-O 2.89Å; T253-Q262 PolarHBondContact O-N 2.88Å; T253-Q262 PolarHBondContact OG1-O 2.94Å; T253-Q262 VanDerWaalsContact OG1-O 3.09Å; Q260-Q262 PolarHBondContact O-N 2.83Å |
| 263 | S | 78.7 | Confident | 74.1 | Confident | 32 Ų | 32 | 46.9 Ų | 46.9 | 22% | 0.224 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 117.6 | 171.6 | -75.1 | 0 | 0 | 0 | 0 | 109 | E250 | E250-S263 WeakPolarHBondContact OE1-CB 3.45Å; E250-S263 PolarHBondContact OE1-OG 2.83Å |
| 264 | L | 85.4 | Confident | 75.2 | Confident | 9 Ų | 9 | 48.5 Ų | 48.5 | 5% | 0.047 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 140.3 | 175.7 | -61.6 | 177.1 | 0 | 0 | 0 | 109.2 | V197 S218 E250 L251 | V197-L264 HydrophobicContact CG2-CD2 4.08Å; S218-L264 WeakPolarHBondContact O-CA 3.39Å; E250-L264 CarbonylContact C-O 3.57Å; E250-L264 WeakPolarHBondContact CA-O 3.45Å; L251-L264 HydrophobicContact CB-CB 4.38Å; L251-L264 PolarHBondContact N-O 2.98Å; L251-L264 PolarHBondContact O-N 3.01Å |
| 265 | H | 90.2 | Very high | 76.1 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.005 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 132.3 | 167.4 | -77.6 | -169.7 | 0 | 0 | 0 | 109.9 | C217 S218 H220 Y247 Y267 | C217-H265 VanDerWaalsContact CA-O 3.23Å; C217-H265 WeakPolarHBondContact CA-O 3.17Å; S218-H265 PolarHBondContact N-O 2.97Å; S218-H265 VanDerWaalsContact N-O 3.11Å; S218-H265 PolarHBondContact O-N 3.44Å; H220-H265 WeakPolarHBondContact CB-NE2 3.41Å; H220-H265 AromaticContact CD2-CD2 3.99Å; H220-H265 AromaticContact CD2-CE1 2.99Å; H220-H265 PolarHBondContact CD2-CE1 3.25Å; H220-H265 AromaticContact CD2-ND1 3.95Å; H220-H265 AromaticContact CD2-NE2 3Å; H220-H265 PolarHBondContact CD2-NE2 2.66Å; H220-H265 AromaticContact CE1-CE1 3.86Å; H220-H265 AromaticContact CG-CE1 3.19Å; H220-H265 AromaticContact CG-ND1 3.71Å; H220-H265 AromaticContact CG-NE2 3.39Å; H220-H265 AromaticContact ND1-CE1 3.72Å; H220-H265 AromaticContact NE2-CE1 3.47Å; H220-H265 PolarHBondContact NE2-CE1 3.17Å; H220-H265 AromaticContact NE2-NE2 3.85Å; Y247-H265 HydrophobicContact CD2-CB 3.93Å; Y247-H265 AromaticContact CD2-CG 3.96Å; Y247-H265 AromaticContact CD2-ND1 3.91Å; Y247-H265 HydrophobicContact CE2-CB 3.64Å; Y247-H265 AromaticContact CE2-CD2 3.63Å; Y247-H265 AromaticContact CE2-CE1 3.88Å; Y247-H265 AromaticContact CE2-CG 3.4Å; Y247-H265 AromaticContact CE2-ND1 3.6Å; Y247-H265 AromaticContact CE2-NE2 3.91Å; H265-Y267 HydrophobicContact CB-CD2 4.47Å; H265-Y267 HydrophobicContact CB-CE2 3.53Å; H265-Y267 WeakPolarHBondContact O-CE2 3.48Å |
| 266 | F | 91.7 | Very high | 76.8 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 133.4 | 173.9 | -177.7 | -100.5 | 0 | 0 | 0 | 111.4 | I142 F204 L210 T213 L248 S249 L251 | I142-F266 HydrophobicContact CD1-CD1 3.99Å; I142-F266 HydrophobicContact CD1-CE1 4.46Å; I142-F266 HydrophobicContact CD1-CG 4.42Å; I142-F266 HydrophobicContact CG1-CD1 4.14Å; I142-F266 HydrophobicContact CG2-CD1 3.93Å; I142-F266 HydrophobicContact CG2-CE1 3.49Å; I142-F266 VanDerWaalsContact CG2-CE1 3.49Å; I142-F266 HydrophobicContact CG2-CZ 4.35Å; F204-F266 AromaticContact CE1-CD2 3.8Å; F204-F266 HydrophobicContact CE1-CD2 3.8Å; F204-F266 AromaticContact CE1-CE2 3.7Å; F204-F266 HydrophobicContact CE1-CE2 3.7Å; F204-F266 HydrophobicContact CZ-CE2 4.13Å; L210-F266 HydrophobicContact CB-CE2 4.4Å; L210-F266 HydrophobicContact CD1-CD2 4.31Å; L210-F266 HydrophobicContact CD1-CE2 4.27Å; L210-F266 HydrophobicContact CD2-CZ 4.24Å; T213-F266 WeakPolarHBondContact OG1-CZ 3.38Å; L248-F266 HydrophobicContact CB-CD1 4.24Å; L248-F266 HydrophobicContact CD1-CD1 4.33Å; L248-F266 HydrophobicContact CD1-CE1 4.09Å; L248-F266 PolarHBondContact N-O 2.91Å; S249-F266 WeakPolarHBondContact O-CB 3.4Å; S249-F266 PolarHBondContact O-N 2.87Å; L251-F266 HydrophobicContact CD1-CB 3.83Å; L251-F266 HydrophobicContact CD1-CD2 4.04Å; L251-F266 HydrophobicContact CD1-CG 4.25Å; L251-F266 HydrophobicContact CD2-CB 4.22Å; L251-F266 HydrophobicContact CG-CB 3.81Å |
| 267 | Y | 93.6 | Very high | 77.9 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 129.9 | 179.1 | -51 | -97.6 | 0 | 0 | 0 | 110.1 | V181 G215 L216 S218 L233 V246 Y247 H265 | V181-Y267 HydrophobicContact CB-CE1 4.2Å; V181-Y267 HydrophobicContact CG2-CE1 3.81Å; G215-Y267 CarbonylContact C-O 3.53Å; G215-Y267 VanDerWaalsContact CA-O 3.25Å; G215-Y267 WeakPolarHBondContact CA-O 3.47Å; L216-Y267 PolarHBondContact N-O 2.89Å; L216-Y267 PolarHBondContact O-N 3.45Å; S218-Y267 VanDerWaalsContact OG-CE2 3.28Å; S218-Y267 WeakPolarHBondContact OG-CE2 3.45Å; S218-Y267 PolarHBondContact OG-OH 2.88Å; L233-Y267 HydrophobicContact CB-CD1 3.55Å; L233-Y267 HydrophobicContact CB-CE1 3.75Å; L233-Y267 HydrophobicContact CB-CG 4.12Å; L233-Y267 HydrophobicContact CD1-CE1 4.12Å; L233-Y267 HydrophobicContact CD1-CE2 4.45Å; L233-Y267 HydrophobicContact CD2-CD1 4.19Å; L233-Y267 HydrophobicContact CD2-CD2 4.01Å; L233-Y267 HydrophobicContact CD2-CE1 4.5Å; L233-Y267 HydrophobicContact CD2-CE2 4.36Å; L233-Y267 HydrophobicContact CD2-CG 3.92Å; L233-Y267 HydrophobicContact CG-CD1 4.31Å; L233-Y267 HydrophobicContact CG-CE1 4.33Å; V246-Y267 CarbonylContact O-C 3.59Å; V246-Y267 WeakPolarHBondContact O-CA 3.45Å; Y247-Y267 VanDerWaalsContact CA-CD1 3.47Å; Y247-Y267 HydrophobicContact CD2-CD1 4.2Å; Y247-Y267 AromaticContact CD2-CE1 3.79Å; Y247-Y267 HydrophobicContact CD2-CE1 3.79Å; Y247-Y267 HydrophobicContact CG-CD1 4.45Å; Y247-Y267 HydrophobicContact CG-CE1 4.22Å; H265-Y267 HydrophobicContact CB-CD2 4.47Å; H265-Y267 HydrophobicContact CB-CE2 3.53Å; H265-Y267 WeakPolarHBondContact O-CE2 3.48Å |
| 268 | G | 93.1 | Very high | 78.4 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 135.9 | 165.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y135 I146 G245 V246 | Y135-G268 WeakPolarHBondContact OH-CA 3.14Å; I146-G268 WeakPolarHBondContact CD1-O 3.49Å; G245-G268 CarbonylContact C-O 3.5Å; G245-G268 WeakPolarHBondContact CA-O 3.18Å; V246-G268 PolarHBondContact N-O 3.27Å; V246-G268 PolarHBondContact O-N 2.98Å |
| 269 | H | 93.5 | Very high | 79 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 131.6 | 178.9 | -171.5 | -72.8 | 0 | 0 | 0 | 111.5 | Y135 I146 Y170 A171 K214 Y244 A271 T272 | Y135-H269 PolarHBondContact OH-N 2.84Å; I146-H269 WeakPolarHBondContact CD1-O 3.31Å; Y170-H269 WeakPolarHBondContact CA-CE1 3.42Å; Y170-H269 VanDerWaalsContact CA-NE2 3.33Å; Y170-H269 WeakPolarHBondContact CA-NE2 3.31Å; Y170-H269 HydrophobicContact CD1-CB 3.89Å; Y170-H269 AromaticContact CD1-CG 3.71Å; Y170-H269 AromaticContact CD1-ND1 3.72Å; Y170-H269 HydrophobicContact CE1-CB 4.16Å; Y170-H269 PolarHBondContact N-CE1 3.06Å; A171-H269 PolarHBondContact N-NE2 2.79Å; A171-H269 PolarHBondContact O-CD2 2.97Å; A171-H269 PolarHBondContact O-NE2 3.43Å; K214-H269 WeakPolarHBondContact O-CB 3.16Å; Y244-H269 PolarHBondContact O-CD2 2.76Å; H269-A271 WeakPolarHBondContact ND1-CB 3.47Å; H269-A271 PolarHBondContact ND1-N 3.31Å; H269-A271 PolarHBondContact O-N 2.8Å; H269-A271 VanDerWaalsContact O-N 3.09Å; H269-T272 VanDerWaalsContact O-CB 3.3Å; H269-T272 WeakPolarHBondContact O-CB 3.5Å; H269-T272 PolarHBondContact O-N 2.67Å; H269-T272 PolarHBondContact O-OG1 3.07Å |
| 270 | V | 93.8 | Very high | 79.8 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -34.9 | -175.3 | -68.4 | 0 | 0 | 0 | 0 | 114.4 | L86 V166 Q243 Y244 V246 T272 V273 | L86-V270 HydrophobicContact CD1-CB 4.18Å; L86-V270 HydrophobicContact CD1-CG1 3.87Å; V166-V270 HydrophobicContact CG1-CB 3.79Å; V166-V270 HydrophobicContact CG1-CG1 4.35Å; V166-V270 HydrophobicContact CG1-CG2 3.4Å; V166-V270 VanDerWaalsContact CG1-CG2 3.4Å; Q243-V270 HydrophobicContact CG-CG1 3.83Å; Y244-V270 WeakPolarHBondContact O-CG2 3.43Å; Y244-V270 PolarHBondContact O-N 3.45Å; V246-V270 HydrophobicContact CG2-CG1 4.47Å; V270-T272 PolarHBondContact O-N 2.81Å; V270-T272 VanDerWaalsContact O-N 3.13Å; V270-V273 PolarHBondContact O-N 3.24Å |
| 271 | A | 89.7 | Confident | 80.1 | Confident | 12 Ų | 12 | 51.4 Ų | 51.4 | 10% | 0.099 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -55.9 | -28.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y170 H269 V273 L274 D275 | Y170-A271 HydrophobicContact CD1-CB 4.27Å; Y170-A271 HydrophobicContact CD2-CB 4.15Å; Y170-A271 HydrophobicContact CE1-CB 4.22Å; Y170-A271 HydrophobicContact CE2-CB 4.08Å; Y170-A271 HydrophobicContact CG-CB 4.25Å; H269-A271 WeakPolarHBondContact ND1-CB 3.47Å; H269-A271 PolarHBondContact ND1-N 3.31Å; H269-A271 PolarHBondContact O-N 2.8Å; H269-A271 VanDerWaalsContact O-N 3.09Å; A271-V273 VanDerWaalsContact C-N 3.31Å; A271-V273 PolarHBondContact O-N 3.18Å; A271-L274 PolarHBondContact O-N 2.98Å; A271-D275 PolarHBondContact O-N 2.85Å |
| 272 | T | 87.9 | Confident | 80.1 | Confident | 11 Ų | 11 | 55.4 Ų | 55.4 | 7% | 0.067 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.1 | -38.7 | -178.5 | -63.3 | 0 | 0 | 0 | 0 | 113 | M133 Y135 Y170 H269 V270 | M133-T272 HydrophobicContact CB-CG2 4.09Å; M133-T272 HydrophobicContact CG-CG2 3.38Å; Y135-T272 HydrophobicContact CE1-CG2 3.76Å; Y135-T272 PolarHBondContact OH-OG1 3.2Å; Y170-T272 WeakPolarHBondContact CE1-OG1 3.15Å; Y170-T272 PolarHBondContact OH-OG1 2.82Å; H269-T272 VanDerWaalsContact O-CB 3.3Å; H269-T272 WeakPolarHBondContact O-CB 3.5Å; H269-T272 PolarHBondContact O-N 2.67Å; H269-T272 PolarHBondContact O-OG1 3.07Å; V270-T272 PolarHBondContact O-N 2.81Å; V270-T272 VanDerWaalsContact O-N 3.13Å |
| 273 | V | 89.9 | Confident | 80.7 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.012 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -92.9 | -20.1 | -179 | 74.4 | 0 | 0 | 0 | 0 | 113 | L86 M133 I146 L148 V270 A271 F284 | L86-V273 HydrophobicContact CD2-CG1 3.53Å; M133-V273 HydrophobicContact CB-CB 4.42Å; M133-V273 HydrophobicContact CB-CG2 4.37Å; I146-V273 HydrophobicContact CB-CB 4.16Å; I146-V273 HydrophobicContact CB-CG1 4.33Å; I146-V273 HydrophobicContact CG2-CB 4.04Å; I146-V273 HydrophobicContact CG2-CG1 3.68Å; L148-V273 HydrophobicContact CB-CG2 3.92Å; V270-V273 PolarHBondContact O-N 3.24Å; A271-V273 VanDerWaalsContact C-N 3.31Å; A271-V273 PolarHBondContact O-N 3.18Å; V273-F284 HydrophobicContact CG2-CE1 4.19Å |
| 274 | L | 87.8 | Confident | 81.2 | Confident | 61 Ų | 61 | 51.4 Ų | 51.4 | 32% | 0.319 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -89.1 | -11.7 | -178.7 | -62.4 | 180 | 0 | 0 | 0 | 113.3 | I69 L86 L148 V166 A271 R276 | I69-L274 HydrophobicContact CD1-CD2 4.2Å; L86-L274 HydrophobicContact CD2-CD2 4.34Å; L148-L274 HydrophobicContact CD1-CD2 4.48Å; L148-L274 HydrophobicContact CD2-CD2 4.36Å; V166-L274 HydrophobicContact CB-CD1 4.41Å; V166-L274 HydrophobicContact CG1-CD1 3.58Å; A271-L274 PolarHBondContact O-N 2.98Å; L274-R276 PolarHBondContact O-N 3.47Å |
| 275 | D | 77.4 | Confident | 81.4 | Confident | 51 Ų | 51 | 52.9 Ų | 52.9 | 27% | 0.273 | 27% | 0.272 | S | S | . | . | trans | -61.4 | 126.9 | 175.4 | -169.4 | 0.6 | 0 | 0 | 0 | 111.1 | R131 A271 N277 N280 | R131-D275 PolarHBondContact NH2-O 2.93Å; A271-D275 PolarHBondContact O-N 2.85Å; D275-N277 VanDerWaalsContact OD1-CB 3.26Å; D275-N277 WeakPolarHBondContact OD1-CB 3.38Å; D275-N277 PolarHBondContact OD1-N 3.26Å; D275-N280 PolarHBondContact OD2-ND2 3.27Å | ||
| 276 | R | 70 | Confident | 81.6 | Confident | 222 Ų | 222 | 57.1 Ų | 57.1 | 84% | 0.838 | 29% | 0.291 | S | S | * | . | trans | -100.6 | 4 | 179.6 | -61.8 | -173.7 | -179.3 | -172.4 | 0.6 | 112.5 | L274 L278 | L274-R276 PolarHBondContact O-N 3.47Å; R276-L278 PolarHBondContact O-N 2.93Å | ||
| 277 | N | 72.8 | Confident | 81.7 | Confident | 92 Ų | 92 | 58 Ų | 58 | 49% | 0.492 | 30% | 0.296 | S | S | . | . | trans | -57.3 | 128.6 | 177.8 | -167.2 | -24.1 | 0 | 0 | 0 | 110.5 | D275 A279 N280 | D275-N277 VanDerWaalsContact OD1-CB 3.26Å; D275-N277 WeakPolarHBondContact OD1-CB 3.38Å; D275-N277 PolarHBondContact OD1-N 3.26Å; N277-A279 PolarHBondContact O-N 3.02Å; N277-A279 PolarHBondContact OD1-N 3.12Å; N277-N280 PolarHBondContact O-N 3.49Å | ||
| 278 | L | 59.6 | Low | 81.4 | Confident | 139 Ų | 139 | 60.7 Ų | 60.7 | 73% | 0.728 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -55.9 | -32.3 | -179.4 | -78 | 161.2 | 0 | 0 | 0 | 112.3 | R276 N280 V281 | R276-L278 PolarHBondContact O-N 2.93Å; L278-N280 PolarHBondContact O-N 2.86Å; L278-V281 HydrophobicContact CD2-CG2 4.32Å; L278-V281 WeakPolarHBondContact O-CB 3.31Å; L278-V281 PolarHBondContact O-N 3.35Å; L278-V281 VanDerWaalsContact O-N 3.07Å |
| 279 | A | 65.2 | Low | 80.8 | Confident | 75 Ų | 75 | 63.5 Ų | 63.5 | 62% | 0.62 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -58.4 | -30.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | N277 | N277-A279 PolarHBondContact O-N 3.02Å; N277-A279 PolarHBondContact OD1-N 3.12Å |
| 280 | N | 68.4 | Low | 79.3 | Confident | 58 Ų | 58 | 69.3 Ų | 69.3 | 31% | 0.31 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -89.3 | -11.2 | -179 | -69.3 | -26.1 | 0 | 0 | 0 | 112.7 | M133 D275 N277 L278 Y282 G283 F284 | M133-N280 HydrophobicContact CE-CB 4.06Å; D275-N280 PolarHBondContact OD2-ND2 3.27Å; N277-N280 PolarHBondContact O-N 3.49Å; L278-N280 PolarHBondContact O-N 2.86Å; N280-Y282 PolarHBondContact O-N 3.28Å; N280-G283 PolarHBondContact O-N 3Å; N280-F284 HydrophobicContact CB-CE2 3.96Å; N280-F284 WeakPolarHBondContact O-CD2 3.31Å; N280-F284 WeakPolarHBondContact O-CE2 3.3Å |
| 281 | V | 61.9 | Low | 77.2 | Confident | 68 Ų | 68 | 77.5 Ų | 77.5 | 41% | 0.412 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -58.2 | -37.8 | -175.1 | 172.9 | 0 | 0 | 0 | 0 | 111.8 | L278 G283 F284 | L278-V281 HydrophobicContact CD2-CG2 4.32Å; L278-V281 WeakPolarHBondContact O-CB 3.31Å; L278-V281 PolarHBondContact O-N 3.35Å; L278-V281 VanDerWaalsContact O-N 3.07Å; V281-G283 VanDerWaalsContact C-N 3.28Å; V281-G283 PolarHBondContact O-N 2.81Å; V281-F284 PolarHBondContact O-N 3.19Å |
| 282 | Y | 61.2 | Low | 75 | Confident | 222 Ų | 222 | 86.1 Ų | 86.1 | 87% | 0.871 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -13.3 | 177.7 | -62.6 | -73.5 | 0 | 0 | 0 | 114.3 | N280 | N280-Y282 PolarHBondContact O-N 3.28Š|
| 283 | G | 82.2 | Confident | 72.4 | Confident | 35 Ų | 35 | 91.5 Ų | 91.5 | 36% | 0.361 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -15.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | P134 N280 V281 | P134-G283 WeakPolarHBondContact CD-O 3.07Å; P134-G283 WeakPolarHBondContact CG-O 3.18Å; N280-G283 PolarHBondContact O-N 3Å; V281-G283 VanDerWaalsContact C-N 3.28Å; V281-G283 PolarHBondContact O-N 2.81Å |
| 284 | F | 89 | Confident | 69.9 | Low | 21 Ų | 21 | 96.3 Ų | 96.3 | 9% | 0.092 | 52% | 0.522 | C | S | . | . | trans | -81.1 | 139.7 | -175.7 | -66.9 | -85.4 | 0 | 0 | 0 | 112.6 | R131 I132 M133 V273 N280 V281 | R131-F284 HydrophobicContact CG-CB 4.12Å; R131-F284 HydrophobicContact CG-CD1 3.4Å; R131-F284 HydrophobicContact CG-CE1 4.04Å; R131-F284 HydrophobicContact CG-CG 3.93Å; R131-F284 VanDerWaalsContact NE-CG 3.3Å; I132-F284 CarbonylContact O-C 3.56Å; I132-F284 VanDerWaalsContact O-CA 3.28Å; I132-F284 WeakPolarHBondContact O-CA 3.18Å; M133-F284 HydrophobicContact CB-CD1 3.93Å; M133-F284 HydrophobicContact CB-CE1 3.68Å; M133-F284 HydrophobicContact CB-CZ 4.47Å; M133-F284 HydrophobicContact CE-CD1 3.63Å; M133-F284 HydrophobicContact CE-CD2 3.52Å; M133-F284 HydrophobicContact CE-CE1 3.39Å; M133-F284 HydrophobicContact CE-CE2 3.19Å; M133-F284 HydrophobicContact CE-CG 3.72Å; M133-F284 HydrophobicContact CE-CZ 3.13Å; M133-F284 HydrophobicContact CG-CE1 4.35Å; V273-F284 HydrophobicContact CG2-CE1 4.19Å; N280-F284 HydrophobicContact CB-CE2 3.96Å; N280-F284 WeakPolarHBondContact O-CD2 3.31Å; N280-F284 WeakPolarHBondContact O-CE2 3.3Å; V281-F284 PolarHBondContact O-N 3.19Å | ||
| 285 | I | 91.5 | Very high | 67.7 | Low | 40 Ų | 40 | 99.5 Ų | 99.5 | 21% | 0.205 | 55% | 0.546 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 119.7 | 165.1 | -58.3 | 170 | 0 | 0 | 0 | 107.3 | W100 I132 P134 W143 L287 | W100-I285 HydrophobicContact CD2-CG2 4.34Å; W100-I285 HydrophobicContact CH2-CD1 4.18Å; W100-I285 HydrophobicContact CZ2-CD1 3.31Å; W100-I285 HydrophobicContact CZ2-CG2 4.42Å; I132-I285 HydrophobicContact CB-CB 4.21Å; I132-I285 PolarHBondContact N-O 3.32Å; I132-I285 PolarHBondContact O-N 2.96Å; P134-I285 HydrophobicContact CG-CD1 4.3Å; W143-I285 HydrophobicContact CH2-CD1 4.45Å; I285-L287 HydrophobicContact CG2-CD2 4.05Å |
| 286 | E | 93.3 | Very high | 65.8 | Low | 89 Ų | 89 | 102.4 Ų | 102.4 | 42% | 0.416 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.4 | 126 | 179.6 | -63.3 | -164 | 144.5 | 0 | 0 | 111.4 | L289 | E286-L289 HydrophobicContact CB-CB 4.4Å; E286-L289 HydrophobicContact CB-CD1 4.41Å; E286-L289 HydrophobicContact CG-CD1 4.36Å |
| 287 | L | 94.2 | Very high | 64.4 | Low | 20 Ų | 20 | 101.6 Ų | 101.6 | 11% | 0.105 | 57% | 0.573 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.1 | 118.6 | 178.7 | -48.9 | 175.3 | 0 | 0 | 0 | 109.2 | F92 W100 P103 G129 I130 I132 I285 L289 | F92-L287 HydrophobicContact CB-CD1 4.22Å; W100-L287 HydrophobicContact CB-CD1 4.11Å; W100-L287 HydrophobicContact CB-CD2 3.68Å; W100-L287 HydrophobicContact CE3-CD1 4.2Å; W100-L287 HydrophobicContact CG-CD2 4.03Å; P103-L287 HydrophobicContact CG-CB 4.1Å; P103-L287 WeakPolarHBondContact CG-O 3.02Å; G129-L287 CarbonylContact C-O 3.54Å; G129-L287 WeakPolarHBondContact CA-O 3.4Å; I130-L287 HydrophobicContact CB-CB 4.17Å; I130-L287 HydrophobicContact CB-CD1 4.3Å; I130-L287 HydrophobicContact CD1-CD1 4.31Å; I130-L287 PolarHBondContact N-O 2.83Å; I130-L287 PolarHBondContact O-N 2.86Å; I132-L287 HydrophobicContact CD1-CD1 3.96Å; I285-L287 HydrophobicContact CG2-CD2 4.05Å; L287-L289 PolarHBondContact O-N 2.9Å |
| 288 | G | 88 | Confident | 62.9 | Low | 56 Ų | 56 | 106.9 Ų | 106.9 | 58% | 0.577 | 59% | 0.591 | S | S | * | * | S | Bend | trans | 69.3 | 11.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 289 | L | 78.7 | Confident | 61.9 | Low | 58 Ų | 58 | 105.8 Ų | 105.8 | 30% | 0.304 | 60% | 0.595 | S | S | . | * | S | Bend | trans | -94.2 | 122.1 | 164.4 | -59.8 | 172.4 | 0 | 0 | 0 | 106.8 | E286 L287 Q291 | E286-L289 HydrophobicContact CB-CB 4.4Å; E286-L289 HydrophobicContact CB-CD1 4.41Å; E286-L289 HydrophobicContact CG-CD1 4.36Å; L287-L289 PolarHBondContact O-N 2.9Å; L289-Q291 PolarHBondContact O-N 2.75Å; L289-Q291 VanDerWaalsContact O-N 3.15Å |
| 290 | S | 63 | Low | 61 | Low | 124 Ų | 124 | 108.1 Ų | 108.1 | 87% | 0.867 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 120.5 | 178.1 | -60 | 0 | 0 | 0 | 0 | 109.4 | K292 | S290-K292 PolarHBondContact O-N 2.92Š|
| 291 | Q | 48.9 | Very low | 59.8 | Low | 172 Ų | 172 | 110.9 Ų | 110.9 | 80% | 0.804 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 132.1 | 173.8 | -69.6 | 179.2 | -15.6 | 0 | 0 | 109.1 | L289 | L289-Q291 PolarHBondContact O-N 2.75Å; L289-Q291 VanDerWaalsContact O-N 3.15Å |
| 292 | K | 44.3 | Very low | 58.8 | Low | 192 Ų | 192 | 111.1 Ų | 111.1 | 84% | 0.835 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -49.8 | 141.4 | 170.3 | -108 | 179.8 | 176 | -179.7 | 0 | 109.1 | S290 S294 | S290-K292 PolarHBondContact O-N 2.92Å; K292-S294 PolarHBondContact O-N 2.82Å |
| 293 | P | 33.7 | Very low | 58 | Low | 124 Ų | 124 | 106.5 Ų | 106.5 | 81% | 0.805 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 120.8 | -178.3 | 26.5 | -30.1 | 0 | 0 | 0 | 109.8 | ||
| 294 | S | 37.1 | Very low | 56 | Low | 104 Ų | 104 | 114 Ų | 114 | 73% | 0.727 | 67% | 0.673 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 144.1 | 165 | -39.9 | 0 | 0 | 0 | 0 | 109.4 | K292 S296 | K292-S294 PolarHBondContact O-N 2.82Å; S294-S296 PolarHBondContact O-N 2.82Å |
| 295 | P | 41.3 | Very low | 53.7 | Low | 127 Ų | 127 | 122.6 Ų | 122.6 | 83% | 0.825 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 125.4 | 179.2 | 28.2 | -33.1 | 0 | 0 | 0 | 109.6 | K297 | P295-K297 PolarHBondContact O-N 3.24Š|
| 296 | S | 37.1 | Very low | 51.3 | Low | 112 Ų | 112 | 129.9 Ų | 129.9 | 78% | 0.783 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 118 | 178.5 | 42.7 | 0 | 0 | 0 | 0 | 110.7 | S294 K298 | S294-S296 PolarHBondContact O-N 2.82Å; S296-K298 PolarHBondContact O-N 2.98Å |
| 297 | K | 41.1 | Very low | 48.9 | Very low | 205 Ų | 205 | 130.5 Ų | 130.5 | 89% | 0.891 | 76% | 0.756 | S | S | * | * | trans | -70 | 109.6 | 159.7 | -76.4 | -173.9 | 177.2 | -177.3 | 0 | 107.4 | P295 S299 | P295-K297 PolarHBondContact O-N 3.24Å; K297-S299 PolarHBondContact O-N 3.41Å | ||
| 298 | K | 40.5 | Very low | 46.4 | Very low | 203 Ų | 203 | 136.4 Ų | 136.4 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | trans | -61.2 | 114.9 | 165.1 | -78.4 | 179.8 | 175.4 | 179.9 | 0 | 108.4 | S296 | S296-K298 PolarHBondContact O-N 2.98Š| ||
| 299 | S | 38.7 | Very low | 44.3 | Very low | 116 Ų | 116 | 142.4 Ų | 142.4 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | -104.7 | 106.4 | 161.2 | 52.5 | 0 | 0 | 0 | 0 | 107.7 | K297 | K297-S299 PolarHBondContact O-N 3.41Š| ||
| 300 | S | 46.5 | Very low | 42.4 | Very low | 124 Ų | 124 | 143.4 Ų | 143.4 | 87% | 0.867 | 83% | 0.825 | S | S | * | * | trans | -87.8 | 122.7 | 165.6 | 47.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 301 | S | 43 | Very low | 41 | Very low | 117 Ų | 117 | 143.1 Ų | 143.1 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | -95.5 | 144.6 | 176.1 | 57 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 302 | G | 41.1 | Very low | 40.8 | Very low | 72 Ų | 72 | 144.9 Ų | 144.9 | 74% | 0.742 | 83% | 0.826 | S | S | * | * | trans | 84.4 | 124.8 | 162.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 303 | S | 45.5 | Very low | 40.8 | Very low | 126 Ų | 126 | 144.6 Ų | 144.6 | 88% | 0.881 | 83% | 0.828 | S | S | * | * | cis | -160.1 | 155 | 45.7 | -45.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 304 | E | 40.1 | Very low | 41.5 | Very low | 192 Ų | 192 | 143.6 Ų | 143.6 | 90% | 0.897 | 82% | 0.821 | S | S | * | * | trans | -64.5 | 139.6 | -177.7 | -66.5 | 159.8 | 122.6 | 0 | 0 | 114.5 | ||||
| 305 | E | 40.5 | Very low | 41.8 | Very low | 201 Ų | 201 | 143.7 Ų | 143.7 | 94% | 0.939 | 82% | 0.819 | S | S | * | * | trans | -166.4 | 139.8 | 131 | -114.1 | 175.9 | 165.8 | 0 | 0 | 110.4 | ||||
| 306 | K | 41.4 | Very low | 41.6 | Very low | 193 Ų | 193 | 143.6 Ų | 143.6 | 84% | 0.839 | 82% | 0.817 | S | S | * | * | trans | -105.2 | -170.5 | -166.3 | -145.4 | -164.6 | 172.1 | 177.5 | 0 | 109.5 | ||||
| 307 | P | 41.7 | Very low | 41.7 | Very low | 103 Ų | 103 | 145 Ų | 145 | 67% | 0.669 | 82% | 0.82 | S | S | * | * | -116.7 | 166.1 | -52.3 | 18.5 | 2.5 | 0 | 0 | 0 | 112.3 | |||||
| 308 | D | 41.5 | Very low | 41.6 | Very low | 143 Ų | 143 | 139.4 Ų | 139.4 | 77% | 0.765 | 81% | 0.807 | S | S | * | * | -165.1 | 159.8 | 123.6 | -137.4 | -9.2 | 0 | 0 | 0 | 114.3 | |||||
| 309 | Q | 44.5 | Very low | 41.2 | Very low | 182 Ų | 182 | 137.4 Ų | 137.4 | 85% | 0.85 | 80% | 0.801 | S | S | * | * | trans | -60.3 | 157.7 | -160.9 | -65.8 | 151.3 | 8.7 | 0 | 0 | 118.9 | ||||
| 310 | G | 38 | Very low | 40.9 | Very low | 80 Ų | 80 | 142.4 Ų | 142.4 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | 168.2 | 74.8 | 162.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 311 | C | 34.6 | Very low | 40.3 | Very low | 118 Ų | 118 | 143.8 Ų | 143.8 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | trans | -34.1 | 137.1 | 176.1 | -54.8 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 312 | K | 44.4 | Very low | 39.9 | Very low | 208 Ų | 208 | 148.3 Ų | 148.3 | 90% | 0.904 | 80% | 0.795 | S | S | * | * | 166.1 | 136.5 | 103.3 | -85.7 | -177.2 | -176 | -179.8 | 0 | 112 | |||||
| 313 | H | 43.5 | Very low | 39.4 | Very low | 186 Ų | 186 | 149.8 Ų | 149.8 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | trans | -107.9 | 175.8 | -172.9 | -118.7 | -6.1 | 0 | 0 | 0 | 111.6 | ||||
| 314 | P | 49.7 | Very low | 38.7 | Very low | 103 Ų | 103 | 150 Ų | 150 | 67% | 0.669 | 79% | 0.789 | S | S | * | * | trans | -110.2 | -154.9 | -135.4 | 37.2 | -16.2 | 0 | 0 | 0 | 112.1 | ||||
| 315 | P | 42.5 | Very low | 38.3 | Very low | 106 Ų | 106 | 146.6 Ų | 146.6 | 69% | 0.688 | 79% | 0.787 | S | S | * | * | -157.9 | 163 | 77.9 | 43.2 | -21.4 | 0 | 0 | 0 | 118.7 | |||||
| 316 | T | 37.4 | Very low | 37.9 | Very low | 126 Ų | 126 | 141.3 Ų | 141.3 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | 36.8 | 128.7 | 141.7 | 54.9 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 317 | V | 39.5 | Very low | 37.9 | Very low | 140 Ų | 140 | 139.2 Ų | 139.2 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | trans | -135.7 | 129.1 | 143.7 | 178 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 318 | S | 39.5 | Very low | 37.7 | Very low | 88 Ų | 88 | 149.4 Ų | 149.4 | 62% | 0.615 | 80% | 0.801 | S | S | * | * | trans | -21.8 | 131.7 | 166.5 | 49.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 319 | E | 31.5 | Very low | 37.5 | Very low | 161 Ų | 161 | 149.7 Ų | 149.7 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | 76.9 | 105.7 | 72.7 | -157.7 | 176.7 | -146.1 | 0 | 0 | 113.5 | |||||
| 320 | W | 32.1 | Very low | 37.1 | Very low | 221 Ų | 221 | 148 Ų | 148 | 84% | 0.837 | 80% | 0.8 | S | S | * | * | trans | -142.6 | 100.1 | 152 | -79 | 100.5 | 0 | 0 | 0 | 108.7 | Y322 | W320-Y322 AromaticContact CE3-CE2 3.92Å; W320-Y322 HydrophobicContact CE3-CE2 3.92Å; W320-Y322 HydrophobicContact CZ3-CE2 4.24Å | ||
| 321 | H | 33.3 | Very low | 37 | Very low | 153 Ų | 153 | 151.8 Ų | 151.8 | 71% | 0.708 | 80% | 0.799 | S | S | * | * | trans | -85.5 | 136.9 | 162.8 | -95.5 | -156.3 | 0 | 0 | 0 | 109.5 | ||||
| 322 | Y | 34.8 | Very low | 37.2 | Very low | 212 Ų | 212 | 153.8 Ų | 153.8 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | trans | -133.1 | 113.2 | 152.2 | -87.8 | -76.8 | 0 | 0 | 0 | 109.5 | W320 | W320-Y322 AromaticContact CE3-CE2 3.92Å; W320-Y322 HydrophobicContact CE3-CE2 3.92Å; W320-Y322 HydrophobicContact CZ3-CE2 4.24Å | ||
| 323 | S | 31.6 | Very low | 36.7 | Very low | 103 Ų | 103 | 150.4 Ų | 150.4 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | trans | -101.9 | 132.8 | 174 | -66.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 324 | V | 30.3 | Very low | 36.3 | Very low | 130 Ų | 130 | 148 Ų | 148 | 79% | 0.788 | 79% | 0.788 | S | S | * | * | trans | 10.8 | 134.6 | 147.7 | -170 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 325 | S | 32.3 | Very low | 35.3 | Very low | 121 Ų | 121 | 151.2 Ų | 151.2 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -143.8 | 109.6 | 140 | -84.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 326 | A | 31.8 | Very low | 34.8 | Very low | 90 Ų | 90 | 154.7 Ų | 154.7 | 74% | 0.744 | 81% | 0.805 | S | S | * | * | trans | -74.1 | 137.1 | 156.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 327 | N | 40.9 | Very low | 34.6 | Very low | 150 Ų | 150 | 157.1 Ų | 157.1 | 80% | 0.802 | 81% | 0.807 | S | S | * | * | trans | -135.3 | 127.5 | 165.7 | -117.2 | -15.6 | 0 | 0 | 0 | 109.2 | ||||
| 328 | R | 37.1 | Very low | 34.1 | Very low | 316 Ų | 316 | 158.6 Ų | 158.6 | 100% | 1.192 | 80% | 0.803 | S | S | * | * | trans | 19.6 | 0 | 162 | -71 | -179 | -171.2 | -169.2 | 2 | 119.3 |
Retrieved 328 of 328 residues in 178.7 ms
(Link to these results)