| 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 | 63.6 | Low | 89 | Confident | 221 Ų | 221 | 129.6 Ų | 129.6 | 100% | 1.089 | 62% | 0.624 | S | S | * | * | 0 | -40.4 | 0 | -84.9 | -168 | -77.4 | 0 | 0 | 111.5 | N3 K4 E5 | M1-N3 PolarHBondContact O-N 3.09Å; M1-K4 WeakPolarHBondContact O-CB 3.49Å; M1-K4 PolarHBondContact O-N 2.72Å; M1-E5 PolarHBondContact O-N 3.16Å | |||
| 2 | E | 77.7 | Confident | 89.6 | Confident | 162 Ų | 162 | 123.9 Ų | 123.9 | 76% | 0.757 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -48.8 | -48.9 | -179 | -158.7 | 163.1 | -159.6 | 0 | 0 | 115.1 | K4 E5 E6 | E2-K4 VanDerWaalsContact C-N 3.25Å; E2-K4 PolarHBondContact O-N 3.49Å; E2-E5 PolarHBondContact O-N 3.21Å; E2-E6 PolarHBondContact O-N 3.36Å |
| 3 | N | 88.3 | Confident | 90.1 | Very high | 128 Ų | 128 | 123.1 Ų | 123.1 | 68% | 0.684 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -62.2 | -28.9 | 179.4 | -160.5 | -2.3 | 0 | 0 | 0 | 113.6 | M1 M7 | M1-N3 PolarHBondContact O-N 3.09Å; N3-M7 VanDerWaalsContact O-CB 3.27Å; N3-M7 WeakPolarHBondContact O-CB 3.44Å; N3-M7 PolarHBondContact O-N 2.97Å |
| 4 | K | 91.4 | Very high | 90.6 | Very high | 143 Ų | 143 | 119.7 Ų | 119.7 | 62% | 0.622 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -74.1 | -37 | 176 | -172.6 | 178 | 178.9 | -179 | 0 | 111.4 | M1 E2 M7 L8 | M1-K4 WeakPolarHBondContact O-CB 3.49Å; M1-K4 PolarHBondContact O-N 2.72Å; E2-K4 VanDerWaalsContact C-N 3.25Å; E2-K4 PolarHBondContact O-N 3.49Å; K4-M7 HydrophobicContact CG-CE 4.26Å; K4-L8 VanDerWaalsContact O-CG 3.32Å; K4-L8 WeakPolarHBondContact O-CG 3.44Å; K4-L8 PolarHBondContact O-N 2.94Å; K4-L8 VanDerWaalsContact O-N 3.1Å |
| 5 | E | 91.8 | Very high | 91 | Very high | 108 Ų | 108 | 117 Ų | 117 | 51% | 0.505 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -70.6 | -41.4 | 177.5 | -164.6 | -174.2 | 146.9 | 0 | 0 | 111.2 | M1 E2 L8 K9 | M1-E5 PolarHBondContact O-N 3.16Å; E2-E5 PolarHBondContact O-N 3.21Å; E5-L8 PolarHBondContact O-N 2.98Å; E5-K9 WeakPolarHBondContact O-CG 3.41Å; E5-K9 PolarHBondContact O-N 3.15Å; E5-K9 VanDerWaalsContact OE1-CE 3.32Å; E5-K9 WeakPolarHBondContact OE1-CE 3.47Å; E5-K9 IonicContact OE1-NZ 2.78Å; E5-K9 PolarHBondContact OE1-NZ 3.01Å |
| 6 | E | 93.8 | Very high | 91.3 | Very high | 115 Ų | 115 | 117.1 Ų | 117.1 | 54% | 0.537 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -61.4 | -45.4 | 174.4 | -170.7 | 174.1 | -169.1 | 0 | 0 | 111.7 | E2 L8 K9 L10 | E2-E6 PolarHBondContact O-N 3.36Å; E6-L8 VanDerWaalsContact C-N 3.31Å; E6-L8 PolarHBondContact O-N 3.44Å; E6-K9 PolarHBondContact O-N 3.13Å; E6-L10 HydrophobicContact CG-CD1 4.31Å; E6-L10 WeakPolarHBondContact O-CG 3.39Å; E6-L10 PolarHBondContact O-N 3.12Å |
| 7 | M | 93.7 | Very high | 91.7 | Very high | 116 Ų | 116 | 115.6 Ų | 115.6 | 57% | 0.571 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -60.1 | -38.5 | 174.7 | 179.7 | 177 | 46.5 | 0 | 0 | 112.6 | N3 K4 Q11 | N3-M7 VanDerWaalsContact O-CB 3.27Å; N3-M7 WeakPolarHBondContact O-CB 3.44Å; N3-M7 PolarHBondContact O-N 2.97Å; K4-M7 HydrophobicContact CG-CE 4.26Å; M7-Q11 WeakPolarHBondContact O-CB 3.29Å; M7-Q11 PolarHBondContact O-N 3.31Å |
| 8 | L | 94.1 | Very high | 91.9 | Very high | 109 Ų | 109 | 115.6 Ų | 115.6 | 57% | 0.571 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.9 | -38.7 | 175.6 | -75.5 | 168.8 | 0 | 0 | 0 | 112.3 | K4 E5 E6 Q11 A12 | K4-L8 VanDerWaalsContact O-CG 3.32Å; K4-L8 WeakPolarHBondContact O-CG 3.44Å; K4-L8 PolarHBondContact O-N 2.94Å; K4-L8 VanDerWaalsContact O-N 3.1Å; E5-L8 PolarHBondContact O-N 2.98Å; E6-L8 VanDerWaalsContact C-N 3.31Å; E6-L8 PolarHBondContact O-N 3.44Å; L8-Q11 PolarHBondContact O-N 3.43Å; L8-A12 PolarHBondContact O-N 3.43Å |
| 9 | K | 95.1 | Very high | 92.1 | Very high | 128 Ų | 128 | 115.8 Ų | 115.8 | 56% | 0.557 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -64.1 | -48 | 175.2 | -73.6 | 174 | -175.5 | 164.5 | 0 | 111.3 | E5 E6 Q11 A12 E13 | E5-K9 WeakPolarHBondContact O-CG 3.41Å; E5-K9 PolarHBondContact O-N 3.15Å; E5-K9 VanDerWaalsContact OE1-CE 3.32Å; E5-K9 WeakPolarHBondContact OE1-CE 3.47Å; E5-K9 IonicContact OE1-NZ 2.78Å; E5-K9 PolarHBondContact OE1-NZ 3.01Å; E6-K9 PolarHBondContact O-N 3.13Å; K9-Q11 VanDerWaalsContact C-N 3.3Å; K9-Q11 PolarHBondContact O-N 3.32Å; K9-A12 PolarHBondContact O-N 3.44Å; K9-E13 PolarHBondContact O-N 3.23Å |
| 10 | L | 95.5 | Very high | 92.3 | Very high | 100 Ų | 100 | 113.8 Ų | 113.8 | 52% | 0.524 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.4 | -37.3 | 177.2 | -71.4 | 172.4 | 0 | 0 | 0 | 112.3 | E6 E13 N14 | E6-L10 HydrophobicContact CG-CD1 4.31Å; E6-L10 WeakPolarHBondContact O-CG 3.39Å; E6-L10 PolarHBondContact O-N 3.12Å; L10-E13 PolarHBondContact O-N 3.24Å; L10-N14 WeakPolarHBondContact O-CB 3.37Å; L10-N14 PolarHBondContact O-N 2.9Å |
| 11 | Q | 94.4 | Very high | 92.5 | Very high | 96 Ų | 96 | 112.2 Ų | 112.2 | 45% | 0.449 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -64.8 | -45.2 | 175.6 | -176.7 | 59.7 | 40.8 | 0 | 0 | 111.5 | M7 L8 K9 E13 N14 D15 | M7-Q11 WeakPolarHBondContact O-CB 3.29Å; M7-Q11 PolarHBondContact O-N 3.31Å; L8-Q11 PolarHBondContact O-N 3.43Å; K9-Q11 VanDerWaalsContact C-N 3.3Å; K9-Q11 PolarHBondContact O-N 3.32Å; Q11-E13 PolarHBondContact O-N 2.95Å; Q11-N14 PolarHBondContact O-N 2.89Å; Q11-D15 PolarHBondContact NE2-OD1 3.02Å; Q11-D15 PolarHBondContact NE2-OD2 3.29Å; Q11-D15 VanDerWaalsContact O-CG 3.32Å; Q11-D15 PolarHBondContact O-N 3.45Å |
| 12 | A | 95.7 | Very high | 94 | Very high | 61 Ų | 61 | 105.7 Ų | 105.7 | 50% | 0.504 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63 | -40.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L8 K9 D15 H16 | L8-A12 PolarHBondContact O-N 3.43Å; K9-A12 PolarHBondContact O-N 3.44Å; A12-D15 PolarHBondContact O-N 3.49Å; A12-H16 WeakPolarHBondContact O-CB 3.08Å; A12-H16 PolarHBondContact O-N 3.18Å |
| 13 | E | 96.8 | Very high | 94.7 | Very high | 113 Ų | 113 | 104 Ų | 104 | 53% | 0.528 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.8 | -42 | 175.3 | -172.8 | 176.2 | -177.7 | 0 | 0 | 111.9 | K9 L10 Q11 D15 H16 L17 | K9-E13 PolarHBondContact O-N 3.23Å; L10-E13 PolarHBondContact O-N 3.24Å; Q11-E13 PolarHBondContact O-N 2.95Å; E13-D15 VanDerWaalsContact C-N 3.34Å; E13-D15 PolarHBondContact O-N 3.04Å; E13-H16 PolarHBondContact O-N 3.49Å; E13-L17 HydrophobicContact CG-CD1 4.22Å; E13-L17 WeakPolarHBondContact O-CB 3.42Å; E13-L17 WeakPolarHBondContact O-CG 3.34Å; E13-L17 PolarHBondContact O-N 3.04Å |
| 14 | N | 96.1 | Very high | 95.1 | Very high | 76 Ų | 76 | 101.7 Ų | 101.7 | 41% | 0.406 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62 | -42.2 | 176.2 | -165 | -62.9 | 0 | 0 | 0 | 111.9 | L10 Q11 L17 K18 | L10-N14 WeakPolarHBondContact O-CB 3.37Å; L10-N14 PolarHBondContact O-N 2.9Å; Q11-N14 PolarHBondContact O-N 2.89Å; N14-L17 PolarHBondContact O-N 3.14Å; N14-K18 WeakPolarHBondContact O-CG 3.39Å; N14-K18 PolarHBondContact O-N 2.65Å; N14-K18 WeakPolarHBondContact OD1-CE 3.39Å; N14-K18 PolarHBondContact OD1-NZ 3.11Å |
| 15 | D | 96.5 | Very high | 95.2 | Very high | 79 Ų | 79 | 101.2 Ų | 101.2 | 42% | 0.422 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.8 | -36.1 | 178.1 | -67.1 | -25.9 | 0 | 0 | 0 | 111.7 | Q11 A12 E13 K18 L19 | Q11-D15 PolarHBondContact NE2-OD1 3.02Å; Q11-D15 PolarHBondContact NE2-OD2 3.29Å; Q11-D15 VanDerWaalsContact O-CG 3.32Å; Q11-D15 PolarHBondContact O-N 3.45Å; A12-D15 PolarHBondContact O-N 3.49Å; E13-D15 VanDerWaalsContact C-N 3.34Å; E13-D15 PolarHBondContact O-N 3.04Å; D15-K18 PolarHBondContact O-N 3.09Å; D15-K18 IonicContact OD1-NZ 2.85Å; D15-L19 PolarHBondContact O-N 3.47Å; D15-L19 VanDerWaalsContact O-N 3.11Å |
| 16 | H | 96.5 | Very high | 95 | Very high | 119 Ų | 119 | 99.4 Ų | 99.4 | 55% | 0.551 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -62.6 | -48.6 | 171 | -177.9 | 64.9 | 0 | 0 | 0 | 112.1 | A12 E13 K18 L19 E20 | A12-H16 WeakPolarHBondContact O-CB 3.08Å; A12-H16 PolarHBondContact O-N 3.18Å; E13-H16 PolarHBondContact O-N 3.49Å; H16-K18 VanDerWaalsContact C-N 3.31Å; H16-K18 PolarHBondContact O-N 2.86Å; H16-L19 WeakPolarHBondContact O-CB 3.4Å; H16-L19 PolarHBondContact O-N 3.31Å; H16-L19 VanDerWaalsContact O-N 3.15Å; H16-E20 PolarHBondContact O-N 2.96Å |
| 17 | L | 97.1 | Very high | 94.9 | Very high | 92 Ų | 92 | 96.9 Ų | 96.9 | 48% | 0.482 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.3 | -35.8 | 178.4 | -73.2 | 171.9 | 0 | 0 | 0 | 112.3 | E13 N14 E20 N21 | E13-L17 HydrophobicContact CG-CD1 4.22Å; E13-L17 WeakPolarHBondContact O-CB 3.42Å; E13-L17 WeakPolarHBondContact O-CG 3.34Å; E13-L17 PolarHBondContact O-N 3.04Å; N14-L17 PolarHBondContact O-N 3.14Å; L17-E20 PolarHBondContact O-N 3.05Å; L17-N21 VanDerWaalsContact O-CB 3.26Å; L17-N21 WeakPolarHBondContact O-CB 3.4Å; L17-N21 PolarHBondContact O-N 3.32Å |
| 18 | K | 96.6 | Very high | 94.8 | Very high | 115 Ų | 115 | 96.3 Ų | 96.3 | 50% | 0.5 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.2 | -45.3 | 172.7 | -79.9 | 172.2 | -178.1 | 148.9 | 0 | 111.4 | N14 D15 H16 N21 T22 | N14-K18 WeakPolarHBondContact O-CG 3.39Å; N14-K18 PolarHBondContact O-N 2.65Å; N14-K18 WeakPolarHBondContact OD1-CE 3.39Å; N14-K18 PolarHBondContact OD1-NZ 3.11Å; D15-K18 PolarHBondContact O-N 3.09Å; D15-K18 IonicContact OD1-NZ 2.85Å; H16-K18 VanDerWaalsContact C-N 3.31Å; H16-K18 PolarHBondContact O-N 2.86Å; K18-N21 PolarHBondContact O-N 3.43Å; K18-T22 WeakPolarHBondContact O-CG2 3.43Å; K18-T22 PolarHBondContact O-N 3.46Å; K18-T22 PolarHBondContact O-OG1 3.11Å |
| 19 | L | 95.4 | Very high | 94.3 | Very high | 120 Ų | 120 | 93.9 Ų | 93.9 | 63% | 0.628 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62.6 | -46.4 | 177.6 | -173.5 | 67.9 | 0 | 0 | 0 | 110.9 | D15 H16 N21 T22 R23 | D15-L19 PolarHBondContact O-N 3.47Å; D15-L19 VanDerWaalsContact O-N 3.11Å; H16-L19 WeakPolarHBondContact O-CB 3.4Å; H16-L19 PolarHBondContact O-N 3.31Å; H16-L19 VanDerWaalsContact O-N 3.15Å; L19-N21 VanDerWaalsContact C-N 3.34Å; L19-N21 PolarHBondContact O-N 2.88Å; L19-T22 WeakPolarHBondContact CA-OG1 3.43Å; L19-T22 PolarHBondContact O-N 3Å; L19-T22 PolarHBondContact O-OG1 3.41Å; L19-R23 PolarHBondContact O-N 2.92Å |
| 20 | E | 96.5 | Very high | 93.7 | Very high | 75 Ų | 75 | 92.1 Ų | 92.1 | 35% | 0.35 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.2 | -41.7 | 176.5 | -170.9 | 175.8 | -166.6 | 0 | 0 | 112 | H16 L17 T22 R23 L24 | H16-E20 PolarHBondContact O-N 2.96Å; L17-E20 PolarHBondContact O-N 3.05Å; E20-T22 VanDerWaalsContact C-N 3.34Å; E20-T22 PolarHBondContact O-N 3.32Å; E20-R23 PolarHBondContact O-N 3.12Å; E20-L24 HydrophobicContact CG-CD1 4.14Å; E20-L24 HydrophobicContact CG-CG 4.41Å; E20-L24 WeakPolarHBondContact O-CG 3.49Å; E20-L24 PolarHBondContact O-N 3.49Å |
| 21 | N | 95.6 | Very high | 93.3 | Very high | 80 Ų | 80 | 92.5 Ų | 92.5 | 43% | 0.428 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.1 | -40.6 | 176.1 | -163.8 | -80.9 | 0 | 0 | 0 | 112 | L17 K18 L19 K25 | L17-N21 VanDerWaalsContact O-CB 3.26Å; L17-N21 WeakPolarHBondContact O-CB 3.4Å; L17-N21 PolarHBondContact O-N 3.32Å; K18-N21 PolarHBondContact O-N 3.43Å; L19-N21 VanDerWaalsContact C-N 3.34Å; L19-N21 PolarHBondContact O-N 2.88Å; N21-K25 WeakPolarHBondContact O-CB 3.32Å; N21-K25 WeakPolarHBondContact O-CG 3.34Å; N21-K25 PolarHBondContact O-N 2.83Å; N21-K25 WeakPolarHBondContact OD1-CE 3.36Å; N21-K25 PolarHBondContact OD1-NZ 3.41Å |
| 22 | T | 94.3 | Very high | 92.6 | Very high | 85 Ų | 85 | 92.7 Ų | 92.7 | 52% | 0.521 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.3 | -39.7 | 175 | 56.5 | 0 | 0 | 0 | 0 | 112.2 | K18 L19 E20 S26 | K18-T22 WeakPolarHBondContact O-CG2 3.43Å; K18-T22 PolarHBondContact O-N 3.46Å; K18-T22 PolarHBondContact O-OG1 3.11Å; L19-T22 WeakPolarHBondContact CA-OG1 3.43Å; L19-T22 PolarHBondContact O-N 3Å; L19-T22 PolarHBondContact O-OG1 3.41Å; E20-T22 VanDerWaalsContact C-N 3.34Å; E20-T22 PolarHBondContact O-N 3.32Å; T22-S26 PolarHBondContact O-N 3.4Å; T22-S26 VanDerWaalsContact O-N 3.13Å |
| 23 | R | 94.2 | Very high | 91.8 | Very high | 127 Ų | 127 | 96.1 Ų | 96.1 | 48% | 0.479 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.6 | -50.2 | 175.2 | -171.9 | -172.2 | 68.2 | 85.3 | -6.4 | 111.4 | L19 E20 K25 S26 D27 | L19-R23 PolarHBondContact O-N 2.92Å; E20-R23 PolarHBondContact O-N 3.12Å; R23-K25 VanDerWaalsContact C-N 3.3Å; R23-K25 PolarHBondContact O-N 3.02Å; R23-S26 WeakPolarHBondContact O-CA 3.38Å; R23-S26 WeakPolarHBondContact O-CB 3.34Å; R23-S26 PolarHBondContact O-N 3.02Å; R23-D27 IonicContact CZ-OD2 2.71Å; R23-D27 IonicContact NH1-OD2 3.91Å; R23-D27 PolarHBondContact NH1-OD2 2.78Å; R23-D27 PolarHBondContact O-N 2.92Å |
| 24 | L | 96.2 | Very high | 90.6 | Very high | 78 Ų | 78 | 94.9 Ų | 94.9 | 41% | 0.408 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.1 | -39.1 | 179.6 | -72.7 | 172.3 | 0 | 0 | 0 | 112.2 | E20 S26 D27 M28 | E20-L24 HydrophobicContact CG-CD1 4.14Å; E20-L24 HydrophobicContact CG-CG 4.41Å; E20-L24 WeakPolarHBondContact O-CG 3.49Å; E20-L24 PolarHBondContact O-N 3.49Å; L24-S26 VanDerWaalsContact C-N 3.34Å; L24-S26 PolarHBondContact O-N 3.28Å; L24-D27 PolarHBondContact O-N 2.95Å; L24-M28 WeakPolarHBondContact O-CB 3.39Å; L24-M28 VanDerWaalsContact O-CG 3.27Å; L24-M28 WeakPolarHBondContact O-CG 3.48Å; L24-M28 PolarHBondContact O-N 2.81Å |
| 25 | K | 93.1 | Very high | 89.9 | Confident | 134 Ų | 134 | 97.1 Ų | 97.1 | 58% | 0.583 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -62.6 | -39.8 | 173.8 | -79.2 | 172.8 | 173.2 | 158.1 | 0 | 112.7 | N21 R23 A29 | N21-K25 WeakPolarHBondContact O-CB 3.32Å; N21-K25 WeakPolarHBondContact O-CG 3.34Å; N21-K25 PolarHBondContact O-N 2.83Å; N21-K25 WeakPolarHBondContact OD1-CE 3.36Å; N21-K25 PolarHBondContact OD1-NZ 3.41Å; R23-K25 VanDerWaalsContact C-N 3.3Å; R23-K25 PolarHBondContact O-N 3.02Å; K25-A29 PolarHBondContact O-N 3.48Å; K25-A29 VanDerWaalsContact O-N 3.11Å |
| 26 | S | 88.6 | Confident | 89 | Confident | 69 Ų | 69 | 100 Ų | 100 | 48% | 0.483 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.6 | -46.9 | 174.6 | -173.3 | 0 | 0 | 0 | 0 | 111.2 | T22 R23 L24 M28 A29 V30 | T22-S26 PolarHBondContact O-N 3.4Å; T22-S26 VanDerWaalsContact O-N 3.13Å; R23-S26 WeakPolarHBondContact O-CA 3.38Å; R23-S26 WeakPolarHBondContact O-CB 3.34Å; R23-S26 PolarHBondContact O-N 3.02Å; L24-S26 VanDerWaalsContact C-N 3.34Å; L24-S26 PolarHBondContact O-N 3.28Å; S26-M28 VanDerWaalsContact C-N 3.33Å; S26-M28 PolarHBondContact O-N 2.95Å; S26-A29 PolarHBondContact O-N 3.03Å; S26-V30 WeakPolarHBondContact O-CG2 3.45Å; S26-V30 PolarHBondContact O-N 3.33Å; S26-V30 VanDerWaalsContact O-N 3.11Å |
| 27 | D | 90.3 | Very high | 87.8 | Confident | 62 Ų | 62 | 98.7 Ų | 98.7 | 33% | 0.332 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.1 | -39.8 | 179.3 | -66 | -15 | 0 | 0 | 0 | 111.4 | R23 L24 V30 M31 | R23-D27 IonicContact CZ-OD2 2.71Å; R23-D27 IonicContact NH1-OD2 3.91Å; R23-D27 PolarHBondContact NH1-OD2 2.78Å; R23-D27 PolarHBondContact O-N 2.92Å; L24-D27 PolarHBondContact O-N 2.95Å; D27-V30 PolarHBondContact O-N 3.34Å; D27-M31 WeakPolarHBondContact O-CG 3.47Å; D27-M31 PolarHBondContact O-N 3.01Å |
| 28 | M | 91.4 | Very high | 86.7 | Confident | 105 Ų | 105 | 98 Ų | 98 | 52% | 0.517 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.5 | -44 | 173.3 | -76.8 | -178.1 | 69 | 0 | 0 | 112.3 | L24 S26 V30 M31 E32 | L24-M28 WeakPolarHBondContact O-CB 3.39Å; L24-M28 VanDerWaalsContact O-CG 3.27Å; L24-M28 WeakPolarHBondContact O-CG 3.48Å; L24-M28 PolarHBondContact O-N 2.81Å; S26-M28 VanDerWaalsContact C-N 3.33Å; S26-M28 PolarHBondContact O-N 2.95Å; M28-V30 VanDerWaalsContact C-N 3.3Å; M28-V30 PolarHBondContact O-N 3.1Å; M28-M31 HydrophobicContact CG-CE 4.37Å; M28-M31 PolarHBondContact O-N 2.84Å; M28-E32 WeakPolarHBondContact O-CG 3.25Å; M28-E32 PolarHBondContact O-N 3.05Å |
| 29 | A | 84.1 | Confident | 85.8 | Confident | 57 Ų | 57 | 97.4 Ų | 97.4 | 47% | 0.471 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.9 | -37.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | K25 S26 H33 | K25-A29 PolarHBondContact O-N 3.48Å; K25-A29 VanDerWaalsContact O-N 3.11Å; S26-A29 PolarHBondContact O-N 3.03Å; A29-H33 PolarHBondContact O-N 3.24Å; A29-H33 VanDerWaalsContact O-N 3.16Å |
| 30 | V | 82.3 | Confident | 84.8 | Confident | 91 Ų | 91 | 95.5 Ų | 95.5 | 55% | 0.552 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.1 | -47.3 | 174.2 | 174.7 | 0 | 0 | 0 | 0 | 110.8 | S26 D27 M28 E32 H33 E34 | S26-V30 WeakPolarHBondContact O-CG2 3.45Å; S26-V30 PolarHBondContact O-N 3.33Å; S26-V30 VanDerWaalsContact O-N 3.11Å; D27-V30 PolarHBondContact O-N 3.34Å; M28-V30 VanDerWaalsContact C-N 3.3Å; M28-V30 PolarHBondContact O-N 3.1Å; V30-E32 PolarHBondContact O-N 3.34Å; V30-H33 WeakPolarHBondContact O-CB 3.42Å; V30-H33 PolarHBondContact O-N 2.83Å; V30-E34 PolarHBondContact O-N 3.06Å |
| 31 | M | 86.8 | Confident | 83.6 | Confident | 108 Ų | 108 | 96 Ų | 96 | 53% | 0.532 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.8 | -39.9 | 178.3 | -73.2 | -170.2 | -67.8 | 0 | 0 | 112.8 | D27 M28 H33 E34 M35 | D27-M31 WeakPolarHBondContact O-CG 3.47Å; D27-M31 PolarHBondContact O-N 3.01Å; M28-M31 HydrophobicContact CG-CE 4.37Å; M28-M31 PolarHBondContact O-N 2.84Å; M31-H33 VanDerWaalsContact C-N 3.3Å; M31-H33 PolarHBondContact O-N 2.87Å; M31-E34 PolarHBondContact O-N 3.49Å; M31-M35 WeakPolarHBondContact O-CG 3.38Å; M31-M35 PolarHBondContact O-N 3.4Å |
| 32 | E | 80 | Confident | 83 | Confident | 100 Ų | 100 | 96.7 Ų | 96.7 | 47% | 0.467 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.1 | -40.1 | 174.9 | -78.4 | -176.9 | -178.5 | 0 | 0 | 112 | M28 V30 K36 | M28-E32 WeakPolarHBondContact O-CG 3.25Å; M28-E32 PolarHBondContact O-N 3.05Å; V30-E32 PolarHBondContact O-N 3.34Å; E32-K36 WeakPolarHBondContact O-CG 3.19Å; E32-K36 PolarHBondContact O-N 2.88Å; E32-K36 VanDerWaalsContact O-N 3.09Å |
| 33 | H | 78.4 | Confident | 82.2 | Confident | 134 Ų | 134 | 94.3 Ų | 94.3 | 62% | 0.62 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.2 | -42.8 | 174.9 | -174.6 | -86 | 0 | 0 | 0 | 111.3 | A29 V30 M31 K36 R37 | A29-H33 PolarHBondContact O-N 3.24Å; A29-H33 VanDerWaalsContact O-N 3.16Å; V30-H33 WeakPolarHBondContact O-CB 3.42Å; V30-H33 PolarHBondContact O-N 2.83Å; M31-H33 VanDerWaalsContact C-N 3.3Å; M31-H33 PolarHBondContact O-N 2.87Å; H33-K36 PolarHBondContact O-N 2.78Å; H33-R37 PolarHBondContact O-N 3.07Å |
| 34 | E | 71.5 | Confident | 81.5 | Confident | 87 Ų | 87 | 93.4 Ų | 93.4 | 41% | 0.407 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.9 | -41.9 | 176.3 | -177.2 | 160.2 | -143.4 | 0 | 0 | 112.7 | V30 M31 K36 R37 L38 | V30-E34 PolarHBondContact O-N 3.06Å; M31-E34 PolarHBondContact O-N 3.49Å; E34-K36 PolarHBondContact O-N 3.48Å; E34-R37 WeakPolarHBondContact O-CB 3.43Å; E34-R37 PolarHBondContact O-N 3.33Å; E34-R37 IonicContact OE1-NH2 3.68Å; E34-R37 PolarHBondContact OE1-NH2 3.17Å; E34-L38 HydrophobicContact CG-CD1 4.23Å; E34-L38 HydrophobicContact CG-CG 4.48Å; E34-L38 WeakPolarHBondContact O-CG 3.31Å; E34-L38 PolarHBondContact O-N 2.73Å |
| 35 | M | 81.5 | Confident | 80.7 | Confident | 122 Ų | 122 | 94.4 Ų | 94.4 | 60% | 0.601 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -59.6 | -47.1 | 174.1 | -74.5 | -156 | -52.5 | 0 | 0 | 111.7 | M31 R37 L38 T39 | M31-M35 WeakPolarHBondContact O-CG 3.38Å; M31-M35 PolarHBondContact O-N 3.4Å; M35-R37 VanDerWaalsContact C-N 3.26Å; M35-R37 PolarHBondContact O-N 3.2Å; M35-L38 PolarHBondContact O-N 3.03Å; M35-T39 PolarHBondContact O-N 2.9Å; M35-T39 PolarHBondContact O-OG1 2.95Å |
| 36 | K | 77.8 | Confident | 80.3 | Confident | 139 Ų | 139 | 93 Ų | 93 | 60% | 0.604 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -58.6 | -39.7 | 176.8 | -75.1 | 173.1 | -178 | 169.7 | 0 | 112 | E32 H33 E34 S40 | E32-K36 WeakPolarHBondContact O-CG 3.19Å; E32-K36 PolarHBondContact O-N 2.88Å; E32-K36 VanDerWaalsContact O-N 3.09Å; H33-K36 PolarHBondContact O-N 2.78Å; E34-K36 PolarHBondContact O-N 3.48Å; K36-S40 PolarHBondContact O-N 3.46Å; K36-S40 VanDerWaalsContact O-N 3.12Å; K36-S40 PolarHBondContact O-OG 3.1Å |
| 37 | R | 71.5 | Confident | 80.2 | Confident | 93 Ų | 93 | 95.6 Ų | 95.6 | 35% | 0.351 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.4 | -48.8 | 175.4 | -172.8 | -179.3 | 67.6 | 138.9 | -2.1 | 111.4 | H33 E34 M35 T39 S40 R41 N228 | H33-R37 PolarHBondContact O-N 3.07Å; E34-R37 WeakPolarHBondContact O-CB 3.43Å; E34-R37 PolarHBondContact O-N 3.33Å; E34-R37 IonicContact OE1-NH2 3.68Å; E34-R37 PolarHBondContact OE1-NH2 3.17Å; M35-R37 VanDerWaalsContact C-N 3.26Å; M35-R37 PolarHBondContact O-N 3.2Å; R37-T39 PolarHBondContact O-N 3.47Å; R37-S40 PolarHBondContact O-N 3.35Å; R37-R41 PolarHBondContact O-N 2.88Å; R37-N228 PolarHBondContact NH1-OD1 3.46Å |
| 38 | L | 74.1 | Confident | 80 | Confident | 78 Ų | 78 | 96 Ų | 96 | 41% | 0.408 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.5 | -42.1 | 178.3 | -71.5 | 173.3 | 0 | 0 | 0 | 112.3 | E34 M35 S40 R41 I42 | E34-L38 HydrophobicContact CG-CD1 4.23Å; E34-L38 HydrophobicContact CG-CG 4.48Å; E34-L38 WeakPolarHBondContact O-CG 3.31Å; E34-L38 PolarHBondContact O-N 2.73Å; M35-L38 PolarHBondContact O-N 3.03Å; L38-S40 VanDerWaalsContact C-N 3.3Å; L38-S40 PolarHBondContact O-N 3.41Å; L38-R41 PolarHBondContact O-N 3.24Å; L38-I42 WeakPolarHBondContact O-CG1 3.34Å; L38-I42 PolarHBondContact O-N 2.9Å |
| 39 | T | 79.1 | Confident | 79.9 | Confident | 102 Ų | 102 | 98.3 Ų | 98.3 | 63% | 0.626 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -58.5 | -42.9 | 174.7 | -57.5 | 0 | 0 | 0 | 0 | 111.6 | M35 R37 I42 G43 | M35-T39 PolarHBondContact O-N 2.9Å; M35-T39 PolarHBondContact O-OG1 2.95Å; R37-T39 PolarHBondContact O-N 3.47Å; T39-I42 PolarHBondContact O-N 3.36Å; T39-G43 PolarHBondContact O-N 3Å |
| 40 | S | 73 | Confident | 80.2 | Confident | 79 Ų | 79 | 101.5 Ų | 101.5 | 55% | 0.552 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.8 | -40.7 | 177.1 | -55.7 | 0 | 0 | 0 | 0 | 111.9 | K36 R37 L38 G43 L44 | K36-S40 PolarHBondContact O-N 3.46Å; K36-S40 VanDerWaalsContact O-N 3.12Å; K36-S40 PolarHBondContact O-OG 3.1Å; R37-S40 PolarHBondContact O-N 3.35Å; L38-S40 VanDerWaalsContact C-N 3.3Å; L38-S40 PolarHBondContact O-N 3.41Å; S40-G43 PolarHBondContact O-N 3.48Å; S40-L44 PolarHBondContact O-N 2.73Å; S40-L44 VanDerWaalsContact O-N 3.17Å |
| 41 | R | 70.8 | Confident | 80.5 | Confident | 87 Ų | 87 | 99.9 Ų | 99.9 | 33% | 0.328 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.6 | -43.2 | 177 | -172.8 | 176.2 | -178.3 | -173 | 2.6 | 112.3 | R37 L38 G43 L44 I45 A225 | R37-R41 PolarHBondContact O-N 2.88Å; L38-R41 PolarHBondContact O-N 3.24Å; R41-G43 VanDerWaalsContact C-N 3.27Å; R41-G43 PolarHBondContact O-N 3.15Å; R41-L44 PolarHBondContact O-N 2.82Å; R41-I45 HydrophobicContact CG-CD1 3.91Å; R41-I45 HydrophobicContact CG-CG1 4.46Å; R41-I45 WeakPolarHBondContact O-CG1 3.29Å; R41-I45 PolarHBondContact O-N 2.93Å; R41-A225 PolarHBondContact NH2-O 3.38Å |
| 42 | I | 83.6 | Confident | 80.7 | Confident | 94 Ų | 94 | 98.6 Ų | 98.6 | 48% | 0.482 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -57.6 | -43.5 | 175.7 | -70.9 | 168.3 | 0 | 0 | 0 | 110.3 | L38 T39 L44 I45 Q46 | L38-I42 WeakPolarHBondContact O-CG1 3.34Å; L38-I42 PolarHBondContact O-N 2.9Å; T39-I42 PolarHBondContact O-N 3.36Å; I42-L44 PolarHBondContact O-N 2.99Å; I42-I45 PolarHBondContact O-N 2.86Å; I42-Q46 HydrophobicContact CG2-CG 4.35Å; I42-Q46 WeakPolarHBondContact O-CB 3.37Å; I42-Q46 VanDerWaalsContact O-CG 3.25Å; I42-Q46 WeakPolarHBondContact O-CG 3.2Å; I42-Q46 PolarHBondContact O-N 2.88Å |
| 43 | G | 78.6 | Confident | 81.3 | Confident | 34 Ų | 34 | 98 Ų | 98 | 35% | 0.351 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.2 | -40.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | T39 S40 R41 K47 | T39-G43 PolarHBondContact O-N 3Å; S40-G43 PolarHBondContact O-N 3.48Å; R41-G43 VanDerWaalsContact C-N 3.27Å; R41-G43 PolarHBondContact O-N 3.15Å; G43-K47 PolarHBondContact O-N 3.09Å; G43-K47 VanDerWaalsContact O-N 3.07Å |
| 44 | L | 78.9 | Confident | 81.9 | Confident | 109 Ų | 109 | 96.7 Ų | 96.7 | 57% | 0.571 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66.8 | -44.1 | 175.7 | -69.1 | 175.2 | 0 | 0 | 0 | 112.2 | S40 R41 I42 Q46 K47 S48 | S40-L44 PolarHBondContact O-N 2.73Å; S40-L44 VanDerWaalsContact O-N 3.17Å; R41-L44 PolarHBondContact O-N 2.82Å; I42-L44 PolarHBondContact O-N 2.99Å; L44-Q46 VanDerWaalsContact C-N 3.32Å; L44-Q46 PolarHBondContact O-N 3.07Å; L44-K47 PolarHBondContact O-N 2.62Å; L44-S48 WeakPolarHBondContact O-CB 3.08Å; L44-S48 PolarHBondContact O-N 3.47Å |
| 45 | I | 79.8 | Confident | 82.8 | Confident | 98 Ų | 98 | 95.7 Ų | 95.7 | 50% | 0.503 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62 | -42.4 | 177.1 | -69.1 | 170.5 | 0 | 0 | 0 | 110.4 | R41 I42 S48 R49 | R41-I45 HydrophobicContact CG-CD1 3.91Å; R41-I45 HydrophobicContact CG-CG1 4.46Å; R41-I45 WeakPolarHBondContact O-CG1 3.29Å; R41-I45 PolarHBondContact O-N 2.93Å; I42-I45 PolarHBondContact O-N 2.86Å; I45-S48 PolarHBondContact O-N 2.97Å; I45-R49 VanDerWaalsContact O-CB 3.31Å; I45-R49 WeakPolarHBondContact O-CB 3.32Å; I45-R49 PolarHBondContact O-N 3.13Å |
| 46 | Q | 85.2 | Confident | 83.3 | Confident | 106 Ų | 106 | 92.3 Ų | 92.3 | 50% | 0.495 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.1 | -48 | 176.1 | -76.7 | 171.7 | -18.6 | 0 | 0 | 111.6 | I42 L44 S48 R49 E50 | I42-Q46 HydrophobicContact CG2-CG 4.35Å; I42-Q46 WeakPolarHBondContact O-CB 3.37Å; I42-Q46 VanDerWaalsContact O-CG 3.25Å; I42-Q46 WeakPolarHBondContact O-CG 3.2Å; I42-Q46 PolarHBondContact O-N 2.88Å; L44-Q46 VanDerWaalsContact C-N 3.32Å; L44-Q46 PolarHBondContact O-N 3.07Å; Q46-S48 VanDerWaalsContact C-N 3.34Å; Q46-S48 PolarHBondContact O-N 3.17Å; Q46-R49 WeakPolarHBondContact O-CB 3.32Å; Q46-R49 PolarHBondContact O-N 2.87Å; Q46-E50 WeakPolarHBondContact O-CG 3.44Å; Q46-E50 PolarHBondContact O-N 2.91Å |
| 47 | K | 85.9 | Confident | 84.2 | Confident | 122 Ų | 122 | 89.3 Ų | 89.3 | 53% | 0.53 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.3 | -40 | 177.6 | -171.7 | 177.2 | -178.9 | -178.8 | 0 | 112.8 | G43 L44 T51 | G43-K47 PolarHBondContact O-N 3.09Å; G43-K47 VanDerWaalsContact O-N 3.07Å; L44-K47 PolarHBondContact O-N 2.62Å; K47-T51 PolarHBondContact O-N 2.72Å; K47-T51 PolarHBondContact O-OG1 3.42Å |
| 48 | S | 84.9 | Confident | 85.2 | Confident | 71 Ų | 71 | 90.7 Ų | 90.7 | 50% | 0.497 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 175.7 | -177.9 | 0 | 0 | 0 | 0 | 111.6 | L44 I45 Q46 T51 T52 | L44-S48 WeakPolarHBondContact O-CB 3.08Å; L44-S48 PolarHBondContact O-N 3.47Å; I45-S48 PolarHBondContact O-N 2.97Å; Q46-S48 VanDerWaalsContact C-N 3.34Å; Q46-S48 PolarHBondContact O-N 3.17Å; S48-T51 PolarHBondContact O-N 3.42Å; S48-T52 PolarHBondContact O-N 2.87Å; S48-T52 PolarHBondContact O-OG1 2.72Å |
| 49 | R | 90.2 | Very high | 86.2 | Confident | 154 Ų | 154 | 90.6 Ų | 90.6 | 58% | 0.581 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -59.4 | -50.4 | 174.7 | 178.5 | -176.7 | 168.7 | -147.8 | -12.5 | 111.3 | I45 Q46 T51 T52 E53 | I45-R49 VanDerWaalsContact O-CB 3.31Å; I45-R49 WeakPolarHBondContact O-CB 3.32Å; I45-R49 PolarHBondContact O-N 3.13Å; Q46-R49 WeakPolarHBondContact O-CB 3.32Å; Q46-R49 PolarHBondContact O-N 2.87Å; R49-T51 VanDerWaalsContact C-N 3.29Å; R49-T51 PolarHBondContact O-N 3Å; R49-T52 PolarHBondContact O-N 3.23Å; R49-T52 VanDerWaalsContact O-N 3.1Å; R49-E53 HydrophobicContact CG-CG 4.29Å; R49-E53 IonicContact CZ-OE1 3.03Å; R49-E53 IonicContact NE-OE1 2.65Å; R49-E53 PolarHBondContact NE-OE1 2.9Å; R49-E53 IonicContact NH2-OE1 2.72Å; R49-E53 PolarHBondContact NH2-OE1 3.12Å; R49-E53 IonicContact NH2-OE2 3.09Å; R49-E53 WeakPolarHBondContact O-CB 3.39Å; R49-E53 WeakPolarHBondContact O-CG 3.39Å; R49-E53 PolarHBondContact O-N 2.9Å |
| 50 | E | 91.5 | Very high | 86.9 | Confident | 123 Ų | 123 | 91.5 Ų | 91.5 | 58% | 0.575 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -56.8 | -42.6 | 177.5 | -73.2 | 168.3 | -171.6 | 0 | 0 | 111.9 | Q46 E53 M54 | Q46-E50 WeakPolarHBondContact O-CG 3.44Å; Q46-E50 PolarHBondContact O-N 2.91Å; E50-E53 PolarHBondContact O-N 3.3Å; E50-M54 WeakPolarHBondContact O-CB 3.47Å; E50-M54 PolarHBondContact O-N 2.81Å |
| 51 | T | 88.4 | Confident | 87.9 | Confident | 58 Ų | 58 | 91.6 Ų | 91.6 | 36% | 0.356 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 176.8 | -54.7 | 0 | 0 | 0 | 0 | 111.5 | K47 S48 R49 M54 Q55 | K47-T51 PolarHBondContact O-N 2.72Å; K47-T51 PolarHBondContact O-OG1 3.42Å; S48-T51 PolarHBondContact O-N 3.42Å; R49-T51 VanDerWaalsContact C-N 3.29Å; R49-T51 PolarHBondContact O-N 3Å; T51-M54 PolarHBondContact O-N 2.83Å; T51-Q55 WeakPolarHBondContact O-CG 3.31Å; T51-Q55 PolarHBondContact O-N 2.96Å |
| 52 | T | 89.3 | Confident | 89.1 | Confident | 80 Ų | 80 | 93 Ų | 93 | 49% | 0.491 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.4 | -40.2 | 179.9 | -54.6 | 0 | 0 | 0 | 0 | 111.7 | S48 R49 M54 Q55 A56 | S48-T52 PolarHBondContact O-N 2.87Å; S48-T52 PolarHBondContact O-OG1 2.72Å; R49-T52 PolarHBondContact O-N 3.23Å; R49-T52 VanDerWaalsContact O-N 3.1Å; T52-M54 VanDerWaalsContact C-N 3.34Å; T52-Q55 PolarHBondContact O-N 3.28Å; T52-A56 WeakPolarHBondContact O-CB 3.4Å; T52-A56 PolarHBondContact O-N 3.03Å |
| 53 | E | 92.7 | Very high | 89.5 | Confident | 88 Ų | 88 | 93 Ų | 93 | 41% | 0.411 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.3 | -38.6 | 175.8 | -74.5 | 177.2 | 169 | 0 | 0 | 111.8 | R49 E50 A56 S57 | R49-E53 HydrophobicContact CG-CG 4.29Å; R49-E53 IonicContact CZ-OE1 3.03Å; R49-E53 IonicContact NE-OE1 2.65Å; R49-E53 PolarHBondContact NE-OE1 2.9Å; R49-E53 IonicContact NH2-OE1 2.72Å; R49-E53 PolarHBondContact NH2-OE1 3.12Å; R49-E53 IonicContact NH2-OE2 3.09Å; R49-E53 WeakPolarHBondContact O-CB 3.39Å; R49-E53 WeakPolarHBondContact O-CG 3.39Å; R49-E53 PolarHBondContact O-N 2.9Å; E50-E53 PolarHBondContact O-N 3.3Å; E53-A56 PolarHBondContact O-N 2.95Å; E53-S57 WeakPolarHBondContact O-CB 3.27Å; E53-S57 PolarHBondContact O-N 3.12Å; E53-S57 PolarHBondContact O-OG 3.34Å |
| 54 | M | 92.6 | Very high | 90.3 | Very high | 106 Ų | 106 | 98.5 Ų | 98.5 | 52% | 0.522 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.3 | -48.7 | 172.6 | 179 | 170.4 | 46.8 | 0 | 0 | 111.4 | E50 T51 T52 A56 S57 E58 | E50-M54 WeakPolarHBondContact O-CB 3.47Å; E50-M54 PolarHBondContact O-N 2.81Å; T51-M54 PolarHBondContact O-N 2.83Å; T52-M54 VanDerWaalsContact C-N 3.34Å; M54-A56 VanDerWaalsContact C-N 3.33Å; M54-A56 PolarHBondContact O-N 3.01Å; M54-S57 WeakPolarHBondContact O-CB 3.47Å; M54-S57 PolarHBondContact O-N 3.2Å; M54-S57 VanDerWaalsContact O-N 3.11Å; M54-E58 PolarHBondContact O-N 3.45Å |
| 55 | Q | 90 | Very high | 91 | Very high | 67 Ų | 67 | 98.2 Ų | 98.2 | 31% | 0.313 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60 | -42 | 176.3 | -73.5 | -179.4 | -12.9 | 0 | 0 | 112.3 | T51 T52 S57 E58 V59 | T51-Q55 WeakPolarHBondContact O-CG 3.31Å; T51-Q55 PolarHBondContact O-N 2.96Å; T52-Q55 PolarHBondContact O-N 3.28Å; Q55-S57 VanDerWaalsContact C-N 3.28Å; Q55-S57 PolarHBondContact O-N 3.23Å; Q55-E58 PolarHBondContact O-N 2.95Å; Q55-V59 WeakPolarHBondContact O-CG2 3.48Å; Q55-V59 PolarHBondContact O-N 3.4Å |
| 56 | A | 92.3 | Very high | 91.7 | Very high | 51 Ų | 51 | 97.8 Ų | 97.8 | 42% | 0.421 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.8 | -37.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | T52 E53 M54 L60 | T52-A56 WeakPolarHBondContact O-CB 3.4Å; T52-A56 PolarHBondContact O-N 3.03Å; E53-A56 PolarHBondContact O-N 2.95Å; M54-A56 VanDerWaalsContact C-N 3.33Å; M54-A56 PolarHBondContact O-N 3.01Å; A56-L60 VanDerWaalsContact O-CG 3.32Å; A56-L60 WeakPolarHBondContact O-CG 3.38Å; A56-L60 PolarHBondContact O-N 3.19Å |
| 57 | S | 95.1 | Very high | 92.2 | Very high | 75 Ų | 75 | 99 Ų | 99 | 52% | 0.524 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.1 | -40.5 | 177 | -58.7 | 0 | 0 | 0 | 0 | 112.5 | E53 M54 Q55 L60 S61 | E53-S57 WeakPolarHBondContact O-CB 3.27Å; E53-S57 PolarHBondContact O-N 3.12Å; E53-S57 PolarHBondContact O-OG 3.34Å; M54-S57 WeakPolarHBondContact O-CB 3.47Å; M54-S57 PolarHBondContact O-N 3.2Å; M54-S57 VanDerWaalsContact O-N 3.11Å; Q55-S57 VanDerWaalsContact C-N 3.28Å; Q55-S57 PolarHBondContact O-N 3.23Å; S57-L60 PolarHBondContact O-N 2.88Å; S57-S61 PolarHBondContact O-N 3.14Å |
| 58 | E | 93.6 | Very high | 92.6 | Very high | 122 Ų | 122 | 97.9 Ų | 97.9 | 57% | 0.57 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.6 | -48.6 | 174.3 | -71.2 | 173.1 | 176.4 | 0 | 0 | 111.2 | M54 Q55 L60 S61 E62 | M54-E58 PolarHBondContact O-N 3.45Å; Q55-E58 PolarHBondContact O-N 2.95Å; E58-L60 VanDerWaalsContact C-N 3.34Å; E58-L60 PolarHBondContact O-N 2.96Å; E58-S61 WeakPolarHBondContact O-CB 3.19Å; E58-S61 PolarHBondContact O-N 2.92Å; E58-S61 VanDerWaalsContact O-N 3.12Å; E58-E62 PolarHBondContact O-N 3.18Å |
| 59 | V | 93.8 | Very high | 93 | Very high | 77 Ų | 77 | 100.1 Ų | 100.1 | 47% | 0.467 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.8 | -39.8 | 178 | 171.3 | 0 | 0 | 0 | 0 | 111.9 | Q55 S61 E62 N63 | Q55-V59 WeakPolarHBondContact O-CG2 3.48Å; Q55-V59 PolarHBondContact O-N 3.4Å; V59-S61 VanDerWaalsContact C-N 3.33Å; V59-S61 PolarHBondContact O-N 3.5Å; V59-E62 PolarHBondContact O-N 3.24Å; V59-N63 WeakPolarHBondContact O-CB 3.27Å; V59-N63 PolarHBondContact O-N 2.9Å; V59-N63 PolarHBondContact O-ND2 3.06Å |
| 60 | L | 95 | Very high | 93.1 | Very high | 121 Ų | 121 | 98.5 Ų | 98.5 | 63% | 0.634 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.5 | -39.1 | 175 | -76.8 | 172 | 0 | 0 | 0 | 112.2 | A56 S57 E58 K64 | A56-L60 VanDerWaalsContact O-CG 3.32Å; A56-L60 WeakPolarHBondContact O-CG 3.38Å; A56-L60 PolarHBondContact O-N 3.19Å; S57-L60 PolarHBondContact O-N 2.88Å; E58-L60 VanDerWaalsContact C-N 3.34Å; E58-L60 PolarHBondContact O-N 2.96Å; L60-K64 PolarHBondContact O-N 2.85Å; L60-K64 VanDerWaalsContact O-N 3.09Å |
| 61 | S | 93.9 | Very high | 93.1 | Very high | 81 Ų | 81 | 96.5 Ų | 96.5 | 57% | 0.566 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.5 | -45.5 | 176.1 | -172.7 | 0 | 0 | 0 | 0 | 111.7 | S57 E58 V59 N63 K64 E65 | S57-S61 PolarHBondContact O-N 3.14Å; E58-S61 WeakPolarHBondContact O-CB 3.19Å; E58-S61 PolarHBondContact O-N 2.92Å; E58-S61 VanDerWaalsContact O-N 3.12Å; V59-S61 VanDerWaalsContact C-N 3.33Å; V59-S61 PolarHBondContact O-N 3.5Å; S61-N63 PolarHBondContact O-N 3.13Å; S61-K64 WeakPolarHBondContact O-CB 3.33Å; S61-K64 PolarHBondContact O-N 3.4Å; S61-E65 PolarHBondContact O-N 2.94Å |
| 62 | E | 95.1 | Very high | 93.2 | Very high | 117 Ų | 117 | 96.2 Ų | 96.2 | 55% | 0.547 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.8 | -45 | 176.5 | -174.3 | 178.6 | -174.6 | 0 | 0 | 111.4 | E58 V59 K64 E65 L66 | E58-E62 PolarHBondContact O-N 3.18Å; V59-E62 PolarHBondContact O-N 3.24Å; E62-K64 VanDerWaalsContact C-N 3.27Å; E62-K64 PolarHBondContact O-N 2.63Å; E62-E65 PolarHBondContact O-N 2.84Å; E62-E65 VanDerWaalsContact O-N 3.11Å; E62-L66 HydrophobicContact CG-CD1 4.14Å; E62-L66 HydrophobicContact CG-CG 4.46Å; E62-L66 WeakPolarHBondContact O-CG 3.32Å; E62-L66 PolarHBondContact O-N 3.22Å |
| 63 | N | 92.8 | Very high | 93.2 | Very high | 92 Ų | 92 | 95.7 Ų | 95.7 | 49% | 0.492 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.9 | -38.2 | 175.2 | -84.8 | -34.7 | 0 | 0 | 0 | 112.4 | V59 S61 K67 | V59-N63 WeakPolarHBondContact O-CB 3.27Å; V59-N63 PolarHBondContact O-N 2.9Å; V59-N63 PolarHBondContact O-ND2 3.06Å; S61-N63 PolarHBondContact O-N 3.13Å; N63-K67 WeakPolarHBondContact O-CB 3.47Å; N63-K67 PolarHBondContact O-N 2.92Å |
| 64 | K | 94.9 | Very high | 93 | Very high | 151 Ų | 151 | 96 Ų | 96 | 66% | 0.657 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.6 | -41.6 | 175.6 | -172.4 | -180 | 178.5 | -177.9 | 0 | 111.7 | L60 S61 E62 K67 L68 | L60-K64 PolarHBondContact O-N 2.85Å; L60-K64 VanDerWaalsContact O-N 3.09Å; S61-K64 WeakPolarHBondContact O-CB 3.33Å; S61-K64 PolarHBondContact O-N 3.4Å; E62-K64 VanDerWaalsContact C-N 3.27Å; E62-K64 PolarHBondContact O-N 2.63Å; K64-K67 PolarHBondContact O-N 2.85Å; K64-L68 WeakPolarHBondContact O-CG 3.45Å; K64-L68 PolarHBondContact O-N 3.42Å; K64-L68 VanDerWaalsContact O-N 3.12Å |
| 65 | E | 94.8 | Very high | 92.6 | Very high | 103 Ų | 103 | 97.7 Ų | 97.7 | 48% | 0.481 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66 | -45 | 176.7 | -169.1 | -173.9 | 156.3 | 0 | 0 | 111.8 | S61 E62 K67 L68 K69 | S61-E65 PolarHBondContact O-N 2.94Å; E62-E65 PolarHBondContact O-N 2.84Å; E62-E65 VanDerWaalsContact O-N 3.11Å; E65-K67 VanDerWaalsContact C-N 3.31Å; E65-K67 PolarHBondContact O-N 2.79Å; E65-L68 PolarHBondContact O-N 3.13Å; E65-K69 WeakPolarHBondContact O-CG 3.43Å; E65-K69 PolarHBondContact O-N 3.21Å; E65-K69 WeakPolarHBondContact OE1-CE 3.22Å; E65-K69 IonicContact OE1-NZ 3.79Å; E65-K69 PolarHBondContact OE1-NZ 2.74Å |
| 66 | L | 94.9 | Very high | 92.3 | Very high | 88 Ų | 88 | 101.7 Ų | 101.7 | 46% | 0.461 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.4 | -41.1 | 176.1 | -73 | 173.1 | 0 | 0 | 0 | 111.5 | E62 K69 L70 | E62-L66 HydrophobicContact CG-CD1 4.14Å; E62-L66 HydrophobicContact CG-CG 4.46Å; E62-L66 WeakPolarHBondContact O-CG 3.32Å; E62-L66 PolarHBondContact O-N 3.22Å; L66-K69 PolarHBondContact O-N 2.66Å; L66-L70 WeakPolarHBondContact O-CB 3.44Å; L66-L70 PolarHBondContact O-N 3.02Å |
| 67 | K | 95 | Very high | 91.6 | Very high | 133 Ų | 133 | 106 Ų | 106 | 58% | 0.578 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.5 | -43.8 | 175.2 | -169.5 | 173.7 | -179.3 | 177.7 | 0 | 112.2 | N63 K64 E65 L70 E71 | N63-K67 WeakPolarHBondContact O-CB 3.47Å; N63-K67 PolarHBondContact O-N 2.92Å; K64-K67 PolarHBondContact O-N 2.85Å; E65-K67 VanDerWaalsContact C-N 3.31Å; E65-K67 PolarHBondContact O-N 2.79Å; K67-L70 PolarHBondContact O-N 3.07Å; K67-E71 WeakPolarHBondContact O-CG 2.89Å; K67-E71 PolarHBondContact O-N 2.71Å |
| 68 | L | 94 | Very high | 90.7 | Very high | 98 Ų | 98 | 109.5 Ų | 109.5 | 51% | 0.513 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.2 | -40.7 | 175.7 | -72.3 | 171.3 | 0 | 0 | 0 | 112.5 | K64 E65 E71 S72 | K64-L68 WeakPolarHBondContact O-CG 3.45Å; K64-L68 PolarHBondContact O-N 3.42Å; K64-L68 VanDerWaalsContact O-N 3.12Å; E65-L68 PolarHBondContact O-N 3.13Å; L68-E71 PolarHBondContact O-N 2.72Å; L68-S72 PolarHBondContact O-N 2.65Å |
| 69 | K | 93 | Very high | 89.5 | Confident | 117 Ų | 117 | 110 Ų | 110 | 51% | 0.509 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.6 | -43 | 174.6 | -74.7 | 176 | -176.9 | 165.6 | 0 | 111.3 | E65 L66 S72 L73 | E65-K69 WeakPolarHBondContact O-CG 3.43Å; E65-K69 PolarHBondContact O-N 3.21Å; E65-K69 WeakPolarHBondContact OE1-CE 3.22Å; E65-K69 IonicContact OE1-NZ 3.79Å; E65-K69 PolarHBondContact OE1-NZ 2.74Å; L66-K69 PolarHBondContact O-N 2.66Å; K69-S72 PolarHBondContact O-N 2.86Å; K69-L73 WeakPolarHBondContact O-CB 3.49Å; K69-L73 PolarHBondContact O-N 2.82Å |
| 70 | L | 91.8 | Very high | 87.8 | Confident | 121 Ų | 121 | 109.5 Ų | 109.5 | 63% | 0.634 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.4 | -45.8 | 177 | -173.4 | 65.5 | 0 | 0 | 0 | 111.4 | L66 K67 S72 L73 N74 | L66-L70 WeakPolarHBondContact O-CB 3.44Å; L66-L70 PolarHBondContact O-N 3.02Å; K67-L70 PolarHBondContact O-N 3.07Å; L70-S72 VanDerWaalsContact C-N 3.34Å; L70-S72 PolarHBondContact O-N 2.79Å; L70-L73 PolarHBondContact O-N 3.03Å; L70-N74 WeakPolarHBondContact O-CB 3.4Å; L70-N74 PolarHBondContact O-N 2.92Å |
| 71 | E | 92.6 | Very high | 85.8 | Confident | 81 Ų | 81 | 109.9 Ų | 109.9 | 38% | 0.379 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.4 | -41.2 | 175 | -73.9 | 173.7 | -167.4 | 0 | 0 | 112.2 | K67 L68 R75 | K67-E71 WeakPolarHBondContact O-CG 2.89Å; K67-E71 PolarHBondContact O-N 2.71Å; L68-E71 PolarHBondContact O-N 2.72Å; E71-R75 PolarHBondContact O-N 2.8Å |
| 72 | S | 89.7 | Confident | 83.7 | Confident | 51 Ų | 51 | 112.7 Ų | 112.7 | 36% | 0.357 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67 | -37.7 | 175.9 | -177.2 | 0 | 0 | 0 | 0 | 113 | L68 K69 L70 R76 | L68-S72 PolarHBondContact O-N 2.65Å; K69-S72 PolarHBondContact O-N 2.86Å; L70-S72 VanDerWaalsContact C-N 3.34Å; L70-S72 PolarHBondContact O-N 2.79Å; S72-R76 WeakPolarHBondContact O-CG 3.42Å; S72-R76 PolarHBondContact O-N 2.93Å |
| 73 | L | 89.3 | Confident | 81.4 | Confident | 69 Ų | 69 | 115.3 Ų | 115.3 | 36% | 0.361 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -69 | -43.5 | 177.3 | -174.1 | 65.3 | 0 | 0 | 0 | 110.4 | K69 L70 R75 R76 F77 | K69-L73 WeakPolarHBondContact O-CB 3.49Å; K69-L73 PolarHBondContact O-N 2.82Å; L70-L73 PolarHBondContact O-N 3.03Å; L73-R75 VanDerWaalsContact C-N 3.34Å; L73-R75 PolarHBondContact O-N 3.22Å; L73-R76 VanDerWaalsContact CD1-NH2 3.29Å; L73-R76 PolarHBondContact O-N 3.47Å; L73-R76 VanDerWaalsContact O-N 3.16Å; L73-F77 HydrophobicContact CD1-CD2 4.26Å; L73-F77 HydrophobicContact CD1-CE2 3.87Å; L73-F77 HydrophobicContact CD2-CE2 4.11Å; L73-F77 HydrophobicContact CG-CD2 3.92Å; L73-F77 HydrophobicContact CG-CE2 3.68Å; L73-F77 VanDerWaalsContact O-CD2 3.29Å; L73-F77 WeakPolarHBondContact O-CD2 3.39Å; L73-F77 PolarHBondContact O-N 2.87Å |
| 74 | N | 88.4 | Confident | 79.5 | Confident | 96 Ų | 96 | 118 Ų | 118 | 51% | 0.513 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -59.8 | -42.2 | 176 | -167.3 | 54.5 | 0 | 0 | 0 | 112 | L70 R76 F77 Q78 | L70-N74 WeakPolarHBondContact O-CB 3.4Å; L70-N74 PolarHBondContact O-N 2.92Å; N74-R76 PolarHBondContact O-N 2.82Å; N74-F77 PolarHBondContact O-N 3.5Å; N74-Q78 WeakPolarHBondContact O-CG 3.43Å; N74-Q78 PolarHBondContact O-N 3.33Å; N74-Q78 VanDerWaalsContact O-N 3.14Å |
| 75 | R | 85.3 | Confident | 76.9 | Confident | 140 Ų | 140 | 119 Ų | 119 | 53% | 0.528 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -58.8 | -45.8 | 172.6 | -78.9 | -170.5 | -74.6 | -98 | -1.6 | 112.6 | E71 L73 F77 Q78 D79 | E71-R75 PolarHBondContact O-N 2.8Å; L73-R75 VanDerWaalsContact C-N 3.34Å; L73-R75 PolarHBondContact O-N 3.22Å; R75-F77 VanDerWaalsContact C-N 3.3Å; R75-F77 PolarHBondContact O-N 3.37Å; R75-Q78 PolarHBondContact O-N 3.5Å; R75-Q78 VanDerWaalsContact O-N 3.09Å; R75-D79 PolarHBondContact O-N 2.92Å |
| 76 | R | 83 | Confident | 74.3 | Confident | 151 Ų | 151 | 121.1 Ų | 121.1 | 57% | 0.57 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -63.2 | -33.2 | 177.7 | -74.2 | -174 | -68.6 | 169 | -3.5 | 113.6 | S72 L73 N74 S80 | S72-R76 WeakPolarHBondContact O-CG 3.42Å; S72-R76 PolarHBondContact O-N 2.93Å; L73-R76 VanDerWaalsContact CD1-NH2 3.29Å; L73-R76 PolarHBondContact O-N 3.47Å; L73-R76 VanDerWaalsContact O-N 3.16Å; N74-R76 PolarHBondContact O-N 2.82Å; R76-S80 WeakPolarHBondContact O-CB 3.39Å; R76-S80 PolarHBondContact O-N 3.43Å; R76-S80 VanDerWaalsContact O-N 3.15Å; R76-S80 PolarHBondContact O-OG 3.24Å |
| 77 | F | 78.2 | Confident | 71.8 | Confident | 143 Ų | 143 | 122 Ų | 122 | 63% | 0.627 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -68 | -35.5 | 173.5 | -86.9 | -69.1 | 0 | 0 | 0 | 112.1 | L73 N74 R75 | L73-F77 HydrophobicContact CD1-CD2 4.26Å; L73-F77 HydrophobicContact CD1-CE2 3.87Å; L73-F77 HydrophobicContact CD2-CE2 4.11Å; L73-F77 HydrophobicContact CG-CD2 3.92Å; L73-F77 HydrophobicContact CG-CE2 3.68Å; L73-F77 VanDerWaalsContact O-CD2 3.29Å; L73-F77 WeakPolarHBondContact O-CD2 3.39Å; L73-F77 PolarHBondContact O-N 2.87Å; N74-F77 PolarHBondContact O-N 3.5Å; R75-F77 VanDerWaalsContact C-N 3.3Å; R75-F77 PolarHBondContact O-N 3.37Å |
| 78 | Q | 75 | Confident | 69.2 | Low | 147 Ų | 147 | 121.2 Ų | 121.2 | 69% | 0.687 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -73.5 | -34.7 | 176 | -64 | -70.6 | -28.2 | 0 | 0 | 112.7 | N74 R75 | N74-Q78 WeakPolarHBondContact O-CG 3.43Å; N74-Q78 PolarHBondContact O-N 3.33Å; N74-Q78 VanDerWaalsContact O-N 3.14Å; R75-Q78 PolarHBondContact O-N 3.5Å; R75-Q78 VanDerWaalsContact O-N 3.09Å |
| 79 | D | 68.4 | Low | 66.6 | Low | 134 Ų | 134 | 123.8 Ų | 123.8 | 72% | 0.717 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -85.4 | -10.8 | -178.4 | -67 | -27 | 0 | 0 | 0 | 113.8 | R75 | R75-D79 PolarHBondContact O-N 2.92Å |
| 80 | S | 58.2 | Low | 64 | Low | 65 Ų | 65 | 123.1 Ų | 123.1 | 46% | 0.455 | 64% | 0.638 | S | S | . | * | S | Bend | trans | -77.9 | 128.5 | 178.4 | -69.1 | 0 | 0 | 0 | 0 | 109.6 | R76 I82 | R76-S80 WeakPolarHBondContact O-CB 3.39Å; R76-S80 PolarHBondContact O-N 3.43Å; R76-S80 VanDerWaalsContact O-N 3.15Å; R76-S80 PolarHBondContact O-OG 3.24Å; S80-I82 PolarHBondContact O-N 3.09Å |
| 81 | P | 53.2 | Low | 61.4 | Low | 129 Ų | 129 | 123.5 Ų | 123.5 | 84% | 0.838 | 64% | 0.636 | S | S | * | * | trans | -61.5 | 114.5 | 179.2 | 25.6 | -32.2 | 0 | 0 | 0 | 109 | L83 | P81-L83 PolarHBondContact O-N 3.16Å; P81-L83 VanDerWaalsContact O-N 3.13Å | ||
| 82 | I | 49.4 | Very low | 58.8 | Low | 140 Ų | 140 | 128.6 Ų | 128.6 | 72% | 0.718 | 66% | 0.657 | S | S | * | * | trans | -58.3 | 112.8 | -179.5 | -59.6 | 165.1 | 0 | 0 | 0 | 107.9 | S80 | S80-I82 PolarHBondContact O-N 3.09Š| ||
| 83 | L | 48.4 | Very low | 56.2 | Low | 173 Ų | 173 | 132.6 Ų | 132.6 | 91% | 0.906 | 67% | 0.67 | S | S | * | * | trans | -71.3 | 123.8 | 147.2 | -85 | 165 | 0 | 0 | 0 | 105.8 | P81 E85 | P81-L83 PolarHBondContact O-N 3.16Å; P81-L83 VanDerWaalsContact O-N 3.13Å; L83-E85 PolarHBondContact O-N 3.49Å | ||
| 84 | D | 51.2 | Low | 53.8 | Low | 148 Ų | 148 | 136.7 Ų | 136.7 | 79% | 0.791 | 69% | 0.693 | S | S | * | * | trans | -33 | 125.4 | -176.8 | -75.9 | -45.1 | 0 | 0 | 0 | 114.9 | N86 | D84-N86 PolarHBondContact O-N 2.86Š| ||
| 85 | E | 41.5 | Very low | 51.3 | Low | 171 Ų | 171 | 137.4 Ų | 137.4 | 80% | 0.799 | 70% | 0.701 | S | S | * | * | trans | 16.1 | 98.3 | 142.7 | -57.7 | -177 | -177.3 | 0 | 0 | 117 | L83 | L83-E85 PolarHBondContact O-N 3.49Š| ||
| 86 | N | 40 | Very low | 49 | Very low | 148 Ų | 148 | 137.7 Ų | 137.7 | 79% | 0.791 | 71% | 0.711 | S | S | * | * | trans | -123.3 | 112.3 | 137.6 | -123 | -15.7 | 0 | 0 | 0 | 106.8 | D84 V88 | D84-N86 PolarHBondContact O-N 2.86Å; N86-V88 PolarHBondContact O-N 3.22Å | ||
| 87 | P | 41.7 | Very low | 46.6 | Very low | 106 Ų | 106 | 135.7 Ų | 135.7 | 69% | 0.688 | 72% | 0.721 | S | S | * | * | trans | -72.3 | 87.2 | 177 | 30.1 | -30.6 | 0 | 0 | 0 | 107.4 | H89 | P87-H89 PolarHBondContact O-N 3.49Š| ||
| 88 | V | 41 | Very low | 44.6 | Very low | 117 Ų | 117 | 135.1 Ų | 135.1 | 71% | 0.709 | 73% | 0.728 | S | S | * | * | trans | -73.3 | 86.5 | 154.7 | -172.7 | 0 | 0 | 0 | 0 | 104.8 | N86 V90 | N86-V88 PolarHBondContact O-N 3.22Å; V88-V90 HydrophobicContact CG1-CG2 3.81Å; V88-V90 PolarHBondContact O-N 2.84Å | ||
| 89 | H | 40.3 | Very low | 42.7 | Very low | 153 Ų | 153 | 135.4 Ų | 135.4 | 71% | 0.708 | 74% | 0.735 | S | S | * | * | trans | -55.1 | 90.8 | 155.6 | -102.4 | -90.8 | 0 | 0 | 0 | 106.2 | P87 H91 | P87-H89 PolarHBondContact O-N 3.49Å; H89-H91 PolarHBondContact O-N 2.9Å | ||
| 90 | V | 38.5 | Very low | 41.3 | Very low | 103 Ų | 103 | 133.8 Ų | 133.8 | 62% | 0.624 | 73% | 0.734 | S | S | * | * | trans | -73 | 83.1 | 158 | -171.8 | 0 | 0 | 0 | 0 | 104.2 | V88 F92 | V88-V90 HydrophobicContact CG1-CG2 3.81Å; V88-V90 PolarHBondContact O-N 2.84Å; V90-F92 VanDerWaalsContact C-N 3.34Å; V90-F92 HydrophobicContact CG1-CE2 4.46Å; V90-F92 PolarHBondContact O-N 2.73Å | ||
| 91 | H | 36.2 | Very low | 40.1 | Very low | 128 Ų | 128 | 138.1 Ų | 138.1 | 59% | 0.593 | 75% | 0.752 | S | S | * | * | trans | -55.9 | 108.9 | 155.8 | -101.2 | -62.7 | 0 | 0 | 0 | 105.6 | H89 E93 | H89-H91 PolarHBondContact O-N 2.9Å; H91-E93 HydrophobicContact CB-CG 4.11Å; H91-E93 PolarHBondContact O-N 3.18Å | ||
| 92 | F | 37.7 | Very low | 39.3 | Very low | 188 Ų | 188 | 140.9 Ų | 140.9 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | trans | -65.3 | 77.5 | 149.6 | -79.4 | -88.6 | 0 | 0 | 0 | 105.3 | V90 D94 | V90-F92 VanDerWaalsContact C-N 3.34Å; V90-F92 HydrophobicContact CG1-CE2 4.46Å; V90-F92 PolarHBondContact O-N 2.73Å; F92-D94 PolarHBondContact O-N 2.95Å | ||
| 93 | E | 36.1 | Very low | 38.5 | Very low | 135 Ų | 135 | 141 Ų | 141 | 63% | 0.631 | 76% | 0.763 | S | S | * | * | trans | -66.4 | 97.7 | 161.9 | -93.4 | 173 | -165 | 0 | 0 | 105.4 | H91 T95 | H91-E93 HydrophobicContact CB-CG 4.11Å; H91-E93 PolarHBondContact O-N 3.18Å; E93-T95 HydrophobicContact CB-CG2 4.5Å; E93-T95 PolarHBondContact O-N 3.12Å; E93-T95 PolarHBondContact O-OG1 2.99Å | ||
| 94 | D | 39 | Very low | 37.8 | Very low | 156 Ų | 156 | 136.4 Ų | 136.4 | 83% | 0.834 | 76% | 0.758 | S | S | * | * | trans | -49.5 | 86.4 | 147.8 | -76.8 | -30.9 | 0 | 0 | 0 | 107.1 | F92 I96 | F92-D94 PolarHBondContact O-N 2.95Å; D94-I96 PolarHBondContact O-N 3.29Å | ||
| 95 | T | 34.3 | Very low | 36.9 | Very low | 110 Ų | 110 | 136.3 Ų | 136.3 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | trans | -78 | 70.2 | 170.9 | 17.8 | 0 | 0 | 0 | 0 | 106.9 | E93 | E93-T95 HydrophobicContact CB-CG2 4.5Å; E93-T95 PolarHBondContact O-N 3.12Å; E93-T95 PolarHBondContact O-OG1 2.99Å | ||
| 96 | I | 37.8 | Very low | 36.6 | Very low | 146 Ų | 146 | 133.2 Ų | 133.2 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | trans | -115.1 | 89.2 | 150.1 | -58.4 | -179.2 | 0 | 0 | 0 | 106.1 | D94 V98 | D94-I96 PolarHBondContact O-N 3.29Å; I96-V98 HydrophobicContact CG2-CG2 4.14Å; I96-V98 PolarHBondContact O-N 3.18Å | ||
| 97 | S | 31.9 | Very low | 36.2 | Very low | 110 Ų | 110 | 131.2 Ų | 131.2 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | trans | -67.6 | 104.3 | 172.2 | -30.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 98 | V | 37.7 | Very low | 35.8 | Very low | 130 Ų | 130 | 137 Ų | 137 | 79% | 0.788 | 77% | 0.767 | S | S | * | * | trans | -122.3 | 89.6 | 159.9 | -175.2 | 0 | 0 | 0 | 0 | 107.8 | I96 | I96-V98 HydrophobicContact CG2-CG2 4.14Å; I96-V98 PolarHBondContact O-N 3.18Å | ||
| 99 | N | 34 | Very low | 35.7 | Very low | 154 Ų | 154 | 140.2 Ų | 140.2 | 82% | 0.824 | 77% | 0.772 | S | S | * | * | trans | -71.9 | 127.9 | 164.7 | -96.7 | -14.1 | 0 | 0 | 0 | 109 | ||||
| 100 | S | 38.5 | Very low | 35.4 | Very low | 100 Ų | 100 | 138.3 Ų | 138.3 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | 149.5 | 102.7 | 115.7 | -58.5 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 101 | N | 33.7 | Very low | 35.2 | Very low | 155 Ų | 155 | 141 Ų | 141 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | trans | 37.3 | 119.1 | 137.4 | -58.7 | -14.9 | 0 | 0 | 0 | 118.8 | ||||
| 102 | M | 37.4 | Very low | 35.2 | Very low | 187 Ų | 187 | 144.1 Ų | 144.1 | 92% | 0.921 | 80% | 0.799 | S | S | * | * | -164.3 | 134.5 | 115.5 | -87.2 | -101.4 | 175.6 | 0 | 0 | 110.2 | |||||
| 103 | T | 31.6 | Very low | 35 | Very low | 143 Ų | 143 | 143.8 Ų | 143.8 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | trans | -63.7 | 135.1 | -176.2 | 42.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 104 | G | 34.8 | Very low | 34.8 | Very low | 77 Ų | 77 | 142.5 Ų | 142.5 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | trans | -171.4 | 103 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 105 | T | 31.2 | Very low | 34.3 | Very low | 146 Ų | 146 | 144 Ų | 144 | 90% | 0.896 | 81% | 0.806 | S | S | * | * | trans | -57.6 | 128 | 175.4 | 43.5 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 106 | S | 34.8 | Very low | 34.2 | Very low | 106 Ų | 106 | 149.7 Ų | 149.7 | 74% | 0.741 | 82% | 0.815 | S | S | * | * | trans | -162.3 | 137.2 | 147.2 | -166.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 107 | S | 33.2 | Very low | 33.8 | Very low | 106 Ų | 106 | 148.1 Ų | 148.1 | 74% | 0.741 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 126.1 | -175.1 | 100.6 | 0 | 0 | 0 | 0 | 110.8 | ||
| 108 | Y | 33.1 | Very low | 33.7 | Very low | 226 Ų | 226 | 148.5 Ų | 148.5 | 89% | 0.886 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -91.3 | 123.6 | 172.6 | -85.6 | -90.7 | 0 | 0 | 0 | 111 | ||
| 109 | K | 38.8 | Very low | 33.2 | Very low | 185 Ų | 185 | 151.6 Ų | 151.6 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 139.9 | 159.2 | -77.3 | -174.8 | 176.6 | -179.3 | 0 | 108.3 | D111 | K109-D111 PolarHBondContact O-N 3.13Š|
| 110 | P | 33.5 | Very low | 33 | Very low | 114 Ų | 114 | 150.2 Ų | 150.2 | 74% | 0.74 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -82.3 | 117.3 | -179.6 | 32.8 | -27.9 | 0 | 0 | 0 | 108.3 | ||
| 111 | D | 34 | Very low | 32.4 | Very low | 159 Ų | 159 | 148.1 Ų | 148.1 | 85% | 0.85 | 81% | 0.812 | S | S | * | * | trans | 166.3 | 78.2 | 157.1 | -84.6 | -20.3 | 0 | 0 | 0 | 108.1 | K109 | K109-D111 PolarHBondContact O-N 3.13Š| ||
| 112 | Q | 35.5 | Very low | 32.1 | Very low | 193 Ų | 193 | 146.5 Ų | 146.5 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | trans | -169.3 | 120.9 | 159.8 | -110.8 | 165.5 | 10 | 0 | 0 | 109.5 | ||||
| 113 | E | 33.7 | Very low | 31.6 | Very low | 181 Ų | 181 | 145.1 Ų | 145.1 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | trans | -52.8 | 144.4 | 170.4 | -75.4 | -179.3 | 139.3 | 0 | 0 | 110.4 | Q115 | E113-Q115 PolarHBondContact O-N 2.88Š| ||
| 114 | P | 33.5 | Very low | 31.7 | Very low | 109 Ų | 109 | 145.6 Ų | 145.6 | 71% | 0.708 | 80% | 0.797 | S | S | * | * | trans | -64.4 | 107 | 176 | -4.8 | 18.6 | 0 | 0 | 0 | 107.8 | W116 | P114-W116 VanDerWaalsContact O-CD1 3.23Å; P114-W116 PolarHBondContact O-N 2.5Å | ||
| 115 | Q | 27.6 | Very low | 31.6 | Very low | 188 Ų | 188 | 147.9 Ų | 147.9 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | trans | -73.1 | 104.8 | 169.7 | -150.3 | 175.5 | 24.7 | 0 | 0 | 106.1 | E113 S117 | E113-Q115 PolarHBondContact O-N 2.88Å; Q115-S117 PolarHBondContact O-N 2.88Å | ||
| 116 | W | 32.7 | Very low | 31.8 | Very low | 228 Ų | 228 | 143.2 Ų | 143.2 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | trans | -64.8 | 102.3 | 176.6 | -70 | 54.3 | 0 | 0 | 0 | 107.3 | P114 T118 | P114-W116 VanDerWaalsContact O-CD1 3.23Å; P114-W116 PolarHBondContact O-N 2.5Å; W116-T118 PolarHBondContact O-N 2.69Å; W116-T118 VanDerWaalsContact O-N 3.12Å | ||
| 117 | S | 29 | Very low | 32 | Very low | 113 Ų | 113 | 146.2 Ų | 146.2 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | trans | -73.9 | 98.8 | 171.2 | 46.1 | 0 | 0 | 0 | 0 | 108.3 | Q115 E119 | Q115-S117 PolarHBondContact O-N 2.88Å; S117-E119 PolarHBondContact O-N 2.98Å | ||
| 118 | T | 30.3 | Very low | 32.9 | Very low | 119 Ų | 119 | 144.9 Ų | 144.9 | 73% | 0.73 | 74% | 0.742 | S | S | * | * | trans | -65.5 | 94.2 | 169.9 | -42.5 | 0 | 0 | 0 | 0 | 108.4 | W116 T120 | W116-T118 PolarHBondContact O-N 2.69Å; W116-T118 VanDerWaalsContact O-N 3.12Å; T118-T120 VanDerWaalsContact C-N 3.3Å; T118-T120 HydrophobicContact CG2-CG2 4.18Å; T118-T120 PolarHBondContact O-N 2.95Å | ||
| 119 | E | 26.8 | Very low | 33.8 | Very low | 195 Ų | 195 | 135.2 Ų | 135.2 | 91% | 0.911 | 71% | 0.708 | S | S | * | * | trans | -77.2 | 86.6 | 171.4 | -149.3 | 171.9 | -155.5 | 0 | 0 | 107.9 | S117 G121 | S117-E119 PolarHBondContact O-N 2.98Å; E119-G121 PolarHBondContact O-N 2.92Å; E119-G121 VanDerWaalsContact O-N 3.12Å | ||
| 120 | T | 28.4 | Very low | 34.9 | Very low | 124 Ų | 124 | 134.4 Ų | 134.4 | 76% | 0.761 | 70% | 0.704 | S | S | * | * | trans | -67.4 | 101.3 | 172 | 39.7 | 0 | 0 | 0 | 0 | 109.6 | T118 | T118-T120 VanDerWaalsContact C-N 3.3Å; T118-T120 HydrophobicContact CG2-CG2 4.18Å; T118-T120 PolarHBondContact O-N 2.95Å | ||
| 121 | G | 27.4 | Very low | 37 | Very low | 56 Ų | 56 | 132.5 Ų | 132.5 | 58% | 0.577 | 69% | 0.685 | S | S | * | * | trans | -62.8 | 166.3 | 162.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E119 D123 | E119-G121 PolarHBondContact O-N 2.92Å; E119-G121 VanDerWaalsContact O-N 3.12Å; G121-D123 PolarHBondContact O-N 2.92Å; G121-D123 VanDerWaalsContact O-N 3.13Å | ||
| 122 | P | 27.5 | Very low | 39.4 | Very low | 122 Ų | 122 | 124.9 Ų | 124.9 | 79% | 0.792 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -64.2 | 117.2 | -162.4 | 28.5 | -33.4 | 0 | 0 | 0 | 110.6 | F124 | P122-F124 PolarHBondContact O-N 2.63Š|
| 123 | D | 26.5 | Very low | 41.9 | Very low | 158 Ų | 158 | 115.9 Ų | 115.9 | 85% | 0.845 | 60% | 0.603 | S | S | * | * | trans | 30.7 | 66.2 | 157.4 | -67.3 | -25.3 | 0 | 0 | 0 | 115.1 | G121 D125 | G121-D123 PolarHBondContact O-N 2.92Å; G121-D123 VanDerWaalsContact O-N 3.13Å; D123-D125 PolarHBondContact O-N 3.06Å | ||
| 124 | F | 33.6 | Very low | 44.5 | Very low | 153 Ų | 153 | 107.7 Ų | 107.7 | 67% | 0.671 | 57% | 0.565 | S | S | * | * | trans | -74.3 | 60.4 | 166 | -124.8 | -90.7 | 0 | 0 | 0 | 109.2 | P122 S126 | P122-F124 PolarHBondContact O-N 2.63Å; F124-S126 PolarHBondContact O-N 2.88Å | ||
| 125 | D | 31.6 | Very low | 47.2 | Very low | 125 Ų | 125 | 104.6 Ų | 104.6 | 67% | 0.668 | 54% | 0.542 | S | S | * | . | trans | -73.6 | 67.8 | 170.2 | -157.5 | 24.4 | 0 | 0 | 0 | 107.2 | D123 K127 | D123-D125 PolarHBondContact O-N 3.06Å; D125-K127 PolarHBondContact O-N 3.15Å | ||
| 126 | S | 35.7 | Very low | 50.2 | Low | 48 Ų | 48 | 101 Ų | 101 | 34% | 0.336 | 52% | 0.524 | S | S | . | . | trans | -65.6 | 80.7 | 170.2 | -96.8 | 0 | 0 | 0 | 0 | 107.6 | F124 W128 | F124-S126 PolarHBondContact O-N 2.88Å; S126-W128 VanDerWaalsContact O-CD1 3.22Å; S126-W128 PolarHBondContact O-N 3.28Å | ||
| 127 | K | 40.1 | Very low | 52.9 | Low | 168 Ų | 168 | 91 Ų | 91 | 73% | 0.73 | 49% | 0.488 | S | S | * | . | trans | -60.3 | 91.9 | 159.4 | -72.8 | -177.8 | -178.4 | 176.5 | 0 | 106.8 | D125 S129 | D125-K127 PolarHBondContact O-N 3.15Å; K127-S129 VanDerWaalsContact C-N 3.34Å; K127-S129 PolarHBondContact O-N 3.38Å | ||
| 128 | W | 51.8 | Low | 55.9 | Low | 79 Ų | 79 | 89.3 Ų | 89.3 | 30% | 0.299 | 47% | 0.467 | S | S | . | . | trans | -30.8 | 90.1 | 175.3 | -56.2 | 79.1 | 0 | 0 | 0 | 111.2 | S126 K130 D156 D157 F158 D224 A225 | S126-W128 VanDerWaalsContact O-CD1 3.22Å; S126-W128 PolarHBondContact O-N 3.28Å; W128-K130 PolarHBondContact O-N 2.88Å; W128-D156 WeakPolarHBondContact CH2-O 3.41Å; W128-D156 WeakPolarHBondContact CZ3-O 3.46Å; W128-D157 HydrophobicContact CH2-CB 3.69Å; W128-D157 HydrophobicContact CZ2-CB 4.46Å; W128-F158 HydrophobicContact CE3-CD2 4.18Å; W128-F158 HydrophobicContact CE3-CE1 4.42Å; W128-F158 AromaticContact CE3-CE2 3.56Å; W128-F158 HydrophobicContact CE3-CE2 3.56Å; W128-F158 AromaticContact CE3-CZ 3.74Å; W128-F158 HydrophobicContact CE3-CZ 3.74Å; W128-F158 AromaticContact CZ3-CD2 3.64Å; W128-F158 HydrophobicContact CZ3-CD2 3.64Å; W128-F158 AromaticContact CZ3-CE2 3.49Å; W128-F158 HydrophobicContact CZ3-CE2 3.49Å; W128-F158 VanDerWaalsContact CZ3-CE2 3.49Å; W128-F158 HydrophobicContact CZ3-CG 4.25Å; W128-F158 HydrophobicContact CZ3-CZ 4.05Å; W128-D224 HydrophobicContact CD2-CB 4.29Å; W128-D224 HydrophobicContact CE3-CB 3.75Å; W128-D224 HydrophobicContact CZ3-CB 4.05Å; W128-A225 HydrophobicContact CH2-CB 3.81Å; W128-A225 HydrophobicContact CZ2-CB 3.72Å | ||
| 129 | S | 51.4 | Low | 58.9 | Low | 23 Ų | 23 | 85.2 Ų | 85.2 | 16% | 0.161 | 44% | 0.443 | C | S | . | . | trans | -75.1 | 119.4 | -174.3 | 86 | 0 | 0 | 0 | 0 | 106.4 | K127 H131 Q153 | K127-S129 VanDerWaalsContact C-N 3.34Å; K127-S129 PolarHBondContact O-N 3.38Å; S129-H131 PolarHBondContact O-N 2.76Å; S129-H131 PolarHBondContact OG-CD2 3.26Å; S129-H131 VanDerWaalsContact OG-CD2 3.3Å; S129-Q153 PolarHBondContact O-OE1 2.96Å; S129-Q153 PolarHBondContact OG-OE1 2.84Å | ||
| 130 | K | 63.2 | Low | 62.1 | Low | 168 Ų | 168 | 78 Ų | 78 | 73% | 0.73 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | 31.2 | -175.3 | -61.2 | -178.8 | 177.4 | -176.5 | 0 | 113.6 | W128 | W128-K130 PolarHBondContact O-N 2.88Š|
| 131 | H | 75.8 | Confident | 65.3 | Low | 73 Ų | 73 | 74.8 Ų | 74.8 | 34% | 0.338 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99 | 2.4 | -171.5 | -61.1 | -43.1 | 0 | 0 | 0 | 112.3 | S129 N147 | S129-H131 PolarHBondContact O-N 2.76Å; S129-H131 PolarHBondContact OG-CD2 3.26Å; S129-H131 VanDerWaalsContact OG-CD2 3.3Å; H131-N147 WeakPolarHBondContact O-CA 3.42Å; H131-N147 WeakPolarHBondContact O-CB 3.44Å; H131-N147 PolarHBondContact O-N 3.26Å; H131-N147 PolarHBondContact O-ND2 3.03Å |
| 132 | I | 85.9 | Confident | 68.5 | Low | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 145.7 | 176.3 | -163.3 | 158.2 | 0 | 0 | 0 | 111.8 | L144 K145 Q153 L155 F158 M181 L222 A231 N232 | I132-L144 HydrophobicContact CD1-CB 4.13Å; I132-L144 HydrophobicContact CD1-CD1 4.12Å; I132-L144 HydrophobicContact CG1-CB 4.32Å; I132-K145 WeakPolarHBondContact CA-O 3.42Å; I132-Q153 HydrophobicContact CB-CG 4.45Å; I132-Q153 HydrophobicContact CD1-CG 4.36Å; I132-L155 HydrophobicContact CD1-CD2 3.38Å; I132-F158 HydrophobicContact CG2-CE1 3.99Å; I132-F158 HydrophobicContact CG2-CZ 4.25Å; I132-M181 HydrophobicContact CD1-SD 3.94Å; I132-L222 HydrophobicContact CD1-CD2 3.77Å; I132-L222 HydrophobicContact CG1-CD2 4.09Å; I132-L222 HydrophobicContact CG2-CD2 3.75Å; I132-A231 HydrophobicContact CG2-CB 4.2Å; I132-A231 WeakPolarHBondContact O-CA 3.27Å; I132-N232 PolarHBondContact O-N 2.96Å |
| 133 | S | 86.5 | Confident | 71.6 | Confident | 3 Ų | 3 | 66.7 Ų | 66.7 | 2% | 0.021 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 149.4 | 171.3 | 61.6 | 0 | 0 | 0 | 0 | 110.7 | I135 L144 K145 N147 N232 | S133-I135 PolarHBondContact O-N 3.14Å; S133-I135 WeakPolarHBondContact OG-CG2 3.14Å; S133-L144 CarbonylContact O-C 3.51Å; S133-L144 WeakPolarHBondContact O-CA 3.43Å; S133-K145 PolarHBondContact N-O 3.32Å; S133-K145 PolarHBondContact O-N 2.99Å; S133-N147 VanDerWaalsContact CB-ND2 3.29Å; S133-N147 WeakPolarHBondContact CB-ND2 3.08Å; S133-N147 PolarHBondContact OG-ND2 3.12Å; S133-N232 WeakPolarHBondContact CB-O 3.45Å |
| 134 | I | 89.9 | Confident | 74.8 | Confident | 10 Ų | 10 | 59.1 Ų | 59.1 | 5% | 0.051 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 113 | 165.9 | -57 | 177.1 | 0 | 0 | 0 | 107.5 | K136 I142 V143 L144 D220 A231 | I134-K136 WeakPolarHBondContact CG2-O 3.43Å; I134-I142 HydrophobicContact CD1-CD1 4.39Å; I134-I142 HydrophobicContact CG2-CB 4.21Å; I134-I142 HydrophobicContact CG2-CG2 4.4Å; I134-V143 CarbonylContact C-O 3.53Å; I134-V143 WeakPolarHBondContact CA-O 3.32Å; I134-L144 HydrophobicContact CG1-CD2 3.78Å; I134-D220 HydrophobicContact CD1-CB 3.79Å; I134-D220 WeakPolarHBondContact CD1-O 3.02Å; I134-A231 HydrophobicContact CG1-CB 4.5Å |
| 135 | I | 88.8 | Confident | 77.5 | Confident | 44 Ų | 44 | 54.6 Ų | 54.6 | 23% | 0.226 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | -19.6 | -176 | 59.8 | 158.7 | 0 | 0 | 0 | 113.4 | S133 V143 K145 E186 | S133-I135 PolarHBondContact O-N 3.14Å; S133-I135 WeakPolarHBondContact OG-CG2 3.14Å; I135-V143 HydrophobicContact CD1-CB 4.33Å; I135-V143 HydrophobicContact CD1-CG1 3.75Å; I135-V143 HydrophobicContact CG1-CB 3.87Å; I135-V143 HydrophobicContact CG1-CG1 3.75Å; I135-V143 WeakPolarHBondContact CG1-O 3.45Å; I135-V143 PolarHBondContact N-O 2.88Å; I135-K145 HydrophobicContact CD1-CB 4.22Å; I135-K145 HydrophobicContact CD1-CD 4.3Å; I135-K145 HydrophobicContact CG1-CB 4.24Å; I135-K145 HydrophobicContact CG2-CB 3.54Å; I135-K145 HydrophobicContact CG2-CD 3.86Å; I135-K145 HydrophobicContact CG2-CG 4.36Å; I135-E186 VanDerWaalsContact CD1-CD 3.5Å; I135-E186 HydrophobicContact CD1-CG 4.04Å; I135-E186 WeakPolarHBondContact CD1-OE1 3.38Å |
| 136 | K | 90.9 | Very high | 80.3 | Confident | 113 Ų | 113 | 48.6 Ų | 48.6 | 49% | 0.491 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 140.9 | 175.7 | -64.2 | 179.8 | -177.2 | 167.9 | 0 | 108.8 | I134 I142 V143 | I134-K136 WeakPolarHBondContact CG2-O 3.43Å; K136-I142 WeakPolarHBondContact O-CA 3.42Å; K136-V143 HydrophobicContact CB-CB 3.99Å; K136-V143 HydrophobicContact CB-CG2 3.94Å; K136-V143 HydrophobicContact CD-CG2 4.11Å; K136-V143 HydrophobicContact CG-CB 4.46Å; K136-V143 HydrophobicContact CG-CG2 4.45Å; K136-V143 PolarHBondContact O-N 3.31Å |
| 137 | S | 90.2 | Very high | 82.8 | Confident | 18 Ų | 18 | 49.2 Ų | 49.2 | 13% | 0.126 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 126.3 | 176.4 | 178.5 | 0 | 0 | 0 | 0 | 108.8 | R162 I217 D220 F238 | S137-R162 PolarHBondContact OG-NH2 3.13Å; S137-I217 WeakPolarHBondContact OG-CD1 3.32Å; S137-D220 WeakPolarHBondContact CB-OD2 3.49Å; S137-D220 PolarHBondContact OG-OD2 3.06Å; S137-F238 WeakPolarHBondContact O-CZ 3.2Å |
| 138 | H | 92.4 | Very high | 85 | Confident | 76 Ų | 76 | 41.5 Ų | 41.5 | 35% | 0.352 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 152.7 | 178.1 | -175 | -94.3 | 0 | 0 | 0 | 107.8 | D140 F141 R162 | H138-D140 IonicContact CE1-OD2 3.99Å; H138-D140 PolarHBondContact CE1-OD2 3.41Å; H138-D140 PolarHBondContact ND1-N 3.2Å; H138-D140 VanDerWaalsContact ND1-N 3.13Å; H138-D140 IonicContact ND1-OD2 3.21Å; H138-D140 PolarHBondContact O-N 2.87Å; H138-F141 HydrophobicContact CB-CD1 3.68Å; H138-F141 HydrophobicContact CB-CD2 4.15Å; H138-F141 HydrophobicContact CB-CE1 3.45Å; H138-F141 VanDerWaalsContact CB-CE1 3.45Å; H138-F141 HydrophobicContact CB-CE2 3.94Å; H138-F141 HydrophobicContact CB-CG 4.02Å; H138-F141 HydrophobicContact CB-CZ 3.58Å; H138-F141 AromaticContact CG-CD1 3.82Å; H138-F141 AromaticContact CG-CE1 3.41Å; H138-F141 VanDerWaalsContact CG-CE1 3.41Å; H138-F141 AromaticContact CG-CZ 3.92Å; H138-F141 PolarHBondContact N-O 3.44Å; H138-F141 AromaticContact ND1-CD1 3.68Å; H138-F141 AromaticContact ND1-CE1 3.56Å; H138-F141 PolarHBondContact O-N 3.11Å; H138-R162 PolarHBondContact O-NH1 3.34Å |
| 139 | P | 92.8 | Very high | 86.7 | Confident | 34 Ų | 34 | 46.2 Ų | 46.2 | 22% | 0.221 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -44.2 | -38.5 | 173.1 | -35.4 | 38.4 | 0 | 0 | 0 | 114.1 | T211 F212 G213 T214 | P139-T211 PolarHBondContact O-OG1 2.77Å; P139-T211 VanDerWaalsContact O-OG1 3.13Å; P139-F212 VanDerWaalsContact O-CA 3.32Å; P139-F212 WeakPolarHBondContact O-CA 3.41Å; P139-F212 WeakPolarHBondContact O-CB 3.5Å; P139-F212 PolarHBondContact O-N 2.93Å; P139-G213 WeakPolarHBondContact CA-O 3.4Å; P139-G213 VanDerWaalsContact CB-O 3.29Å; P139-G213 WeakPolarHBondContact CB-O 3.49Å; P139-T214 HydrophobicContact CB-CG2 4.23Å |
| 140 | D | 94.4 | Very high | 88.3 | Confident | 43 Ų | 43 | 53.7 Ų | 53.7 | 23% | 0.23 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | -4.2 | -172.8 | -52.2 | -33.8 | 0 | 0 | 0 | 115 | H138 A191 T193 T211 | H138-D140 IonicContact CE1-OD2 3.99Å; H138-D140 PolarHBondContact CE1-OD2 3.41Å; H138-D140 PolarHBondContact ND1-N 3.2Å; H138-D140 VanDerWaalsContact ND1-N 3.13Å; H138-D140 IonicContact ND1-OD2 3.21Å; H138-D140 PolarHBondContact O-N 2.87Å; D140-A191 WeakPolarHBondContact O-CB 3.04Å; D140-A191 PolarHBondContact O-N 3.26Å; D140-T193 HydrophobicContact CB-CG2 3.84Å; D140-T211 WeakPolarHBondContact OD1-CB 3.29Å; D140-T211 PolarHBondContact OD1-OG1 3.49Å |
| 141 | F | 94.9 | Very high | 89.2 | Confident | 57 Ų | 57 | 50.9 Ų | 50.9 | 25% | 0.25 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 159.7 | 178.3 | 65.6 | -91.5 | 0 | 0 | 0 | 113.2 | H138 V143 T188 V189 Y190 | H138-F141 HydrophobicContact CB-CD1 3.68Å; H138-F141 HydrophobicContact CB-CD2 4.15Å; H138-F141 HydrophobicContact CB-CE1 3.45Å; H138-F141 VanDerWaalsContact CB-CE1 3.45Å; H138-F141 HydrophobicContact CB-CE2 3.94Å; H138-F141 HydrophobicContact CB-CG 4.02Å; H138-F141 HydrophobicContact CB-CZ 3.58Å; H138-F141 AromaticContact CG-CD1 3.82Å; H138-F141 AromaticContact CG-CE1 3.41Å; H138-F141 VanDerWaalsContact CG-CE1 3.41Å; H138-F141 AromaticContact CG-CZ 3.92Å; H138-F141 PolarHBondContact N-O 3.44Å; H138-F141 AromaticContact ND1-CD1 3.68Å; H138-F141 AromaticContact ND1-CE1 3.56Å; H138-F141 PolarHBondContact O-N 3.11Å; F141-V143 HydrophobicContact CD2-CG2 4Å; F141-V143 HydrophobicContact CE2-CG2 4.08Å; F141-T188 HydrophobicContact CB-CG2 4.16Å; F141-T188 HydrophobicContact CD2-CG2 4.21Å; F141-T188 HydrophobicContact CG-CG2 4.47Å; F141-V189 CarbonylContact C-O 3.55Å; F141-V189 WeakPolarHBondContact CA-O 3.02Å; F141-V189 WeakPolarHBondContact CB-O 2.99Å; F141-Y190 HydrophobicContact CB-CD1 3.6Å; F141-Y190 HydrophobicContact CB-CE1 3.94Å; F141-Y190 HydrophobicContact CB-CG 4.31Å; F141-Y190 HydrophobicContact CD1-CE1 4.33Å; F141-Y190 HydrophobicContact CG-CD1 4.28Å; F141-Y190 HydrophobicContact CG-CE1 4.17Å |
| 142 | I | 93.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 151.9 | 163.2 | 59.5 | 168.9 | 0 | 0 | 0 | 110 | I134 K136 L144 F160 T188 V189 | I134-I142 HydrophobicContact CD1-CD1 4.39Å; I134-I142 HydrophobicContact CG2-CB 4.21Å; I134-I142 HydrophobicContact CG2-CG2 4.4Å; K136-I142 WeakPolarHBondContact O-CA 3.42Å; I142-L144 HydrophobicContact CD1-CD2 3.84Å; I142-L144 HydrophobicContact CG1-CD2 4.49Å; I142-F160 HydrophobicContact CD1-CD1 4.27Å; I142-F160 HydrophobicContact CD1-CD2 3.65Å; I142-F160 HydrophobicContact CD1-CE1 4.23Å; I142-F160 HydrophobicContact CD1-CE2 3.64Å; I142-F160 HydrophobicContact CD1-CG 4Å; I142-F160 HydrophobicContact CD1-CZ 3.93Å; I142-F160 HydrophobicContact CG2-CE2 4.23Å; I142-F160 HydrophobicContact CG2-CZ 3.91Å; I142-T188 WeakPolarHBondContact O-CA 2.78Å; I142-T188 WeakPolarHBondContact O-CG2 3.12Å; I142-V189 HydrophobicContact CD1-CB 4.27Å; I142-V189 HydrophobicContact CD1-CG2 4.36Å; I142-V189 HydrophobicContact CG1-CB 3.71Å; I142-V189 HydrophobicContact CG1-CG2 4.16Å; I142-V189 PolarHBondContact N-O 2.87Å; I142-V189 PolarHBondContact O-N 2.97Å |
| 143 | V | 93.7 | Very high | 89.6 | Confident | 7 Ų | 7 | 51 Ų | 51 | 4% | 0.042 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 118.5 | 172.5 | -174.8 | 0 | 0 | 0 | 0 | 109.1 | I134 I135 K136 F141 E186 T188 | I134-V143 CarbonylContact C-O 3.53Å; I134-V143 WeakPolarHBondContact CA-O 3.32Å; I135-V143 HydrophobicContact CD1-CB 4.33Å; I135-V143 HydrophobicContact CD1-CG1 3.75Å; I135-V143 HydrophobicContact CG1-CB 3.87Å; I135-V143 HydrophobicContact CG1-CG1 3.75Å; I135-V143 WeakPolarHBondContact CG1-O 3.45Å; I135-V143 PolarHBondContact N-O 2.88Å; K136-V143 HydrophobicContact CB-CB 3.99Å; K136-V143 HydrophobicContact CB-CG2 3.94Å; K136-V143 HydrophobicContact CD-CG2 4.11Å; K136-V143 HydrophobicContact CG-CB 4.46Å; K136-V143 HydrophobicContact CG-CG2 4.45Å; K136-V143 PolarHBondContact O-N 3.31Å; F141-V143 HydrophobicContact CD2-CG2 4Å; F141-V143 HydrophobicContact CE2-CG2 4.08Å; V143-E186 HydrophobicContact CG1-CB 3.97Å; V143-E186 HydrophobicContact CG1-CG 4.34Å; V143-T188 HydrophobicContact CG2-CG2 4.05Å |
| 144 | L | 92.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 145 | 172.5 | -50.9 | -178.3 | 0 | 0 | 0 | 109.2 | I132 S133 I134 I142 L155 L175 M181 E186 F187 V189 | I132-L144 HydrophobicContact CD1-CB 4.13Å; I132-L144 HydrophobicContact CD1-CD1 4.12Å; I132-L144 HydrophobicContact CG1-CB 4.32Å; S133-L144 CarbonylContact O-C 3.51Å; S133-L144 WeakPolarHBondContact O-CA 3.43Å; I134-L144 HydrophobicContact CG1-CD2 3.78Å; I142-L144 HydrophobicContact CD1-CD2 3.84Å; I142-L144 HydrophobicContact CG1-CD2 4.49Å; L144-L155 HydrophobicContact CD1-CD1 4.14Å; L144-L155 HydrophobicContact CD1-CD2 4.13Å; L144-L175 HydrophobicContact CD1-CD1 3.6Å; L144-M181 HydrophobicContact CB-CE 4.24Å; L144-M181 HydrophobicContact CB-SD 4.39Å; L144-E186 CarbonylContact O-C 3.49Å; L144-E186 WeakPolarHBondContact O-CA 3.43Å; L144-F187 HydrophobicContact CB-CB 4.41Å; L144-F187 WeakPolarHBondContact CB-O 3.33Å; L144-F187 HydrophobicContact CD1-CD1 4.32Å; L144-F187 PolarHBondContact N-O 3.3Å; L144-F187 PolarHBondContact O-N 2.96Å; L144-V189 HydrophobicContact CD1-CG2 4.09Å; L144-V189 HydrophobicContact CG-CG2 4.4Å |
| 145 | K | 91.6 | Very high | 89.4 | Confident | 57 Ų | 57 | 50.9 Ų | 50.9 | 25% | 0.248 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 131.7 | 174.3 | -176.3 | 172.3 | -170.3 | 149.8 | 0 | 110.8 | I132 S133 I135 N147 S185 E186 | I132-K145 WeakPolarHBondContact CA-O 3.42Å; S133-K145 PolarHBondContact N-O 3.32Å; S133-K145 PolarHBondContact O-N 2.99Å; I135-K145 HydrophobicContact CD1-CB 4.22Å; I135-K145 HydrophobicContact CD1-CD 4.3Å; I135-K145 HydrophobicContact CG1-CB 4.24Å; I135-K145 HydrophobicContact CG2-CB 3.54Å; I135-K145 HydrophobicContact CG2-CD 3.86Å; I135-K145 HydrophobicContact CG2-CG 4.36Å; K145-N147 PolarHBondContact O-N 2.71Å; K145-S185 WeakPolarHBondContact CA-O 3.46Å; K145-E186 HydrophobicContact CB-CG 4.44Å; K145-E186 HydrophobicContact CG-CG 4.33Å; K145-E186 IonicContact NZ-OE1 3.62Å |
| 146 | N | 90.4 | Very high | 89 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 105 | 165.1 | -179.3 | -1.4 | 0 | 0 | 0 | 109 | S148 H151 Q153 M181 Q182 K184 S185 | N146-S148 PolarHBondContact O-N 3.12Å; N146-S148 WeakPolarHBondContact OD1-CB 3.43Å; N146-S148 PolarHBondContact OD1-N 2.75Å; N146-H151 PolarHBondContact ND2-O 3.11Å; N146-Q153 HydrophobicContact CB-CB 4.3Å; N146-Q153 PolarHBondContact ND2-N 2.84Å; N146-M181 HydrophobicContact CB-CB 4.07Å; N146-M181 HydrophobicContact CB-CE 4.12Å; N146-M181 PolarHBondContact ND2-O 3.35Å; N146-M181 VanDerWaalsContact ND2-O 3.16Å; N146-Q182 WeakPolarHBondContact CB-O 3.23Å; N146-Q182 PolarHBondContact ND2-O 3.39Å; N146-K184 WeakPolarHBondContact O-CA 3.48Å; N146-K184 PolarHBondContact O-N 3.04Å; N146-S185 PolarHBondContact N-O 3.19Å |
| 147 | N | 87.8 | Confident | 88.5 | Confident | 60 Ų | 60 | 49.9 Ų | 49.9 | 32% | 0.321 | 24% | 0.236 | S | C | . | . | trans | -76.9 | -8.3 | 179.5 | -61.6 | -65.3 | 0 | 0 | 0 | 113.6 | H131 S133 K145 K184 | H131-N147 WeakPolarHBondContact O-CA 3.42Å; H131-N147 WeakPolarHBondContact O-CB 3.44Å; H131-N147 PolarHBondContact O-N 3.26Å; H131-N147 PolarHBondContact O-ND2 3.03Å; S133-N147 VanDerWaalsContact CB-ND2 3.29Å; S133-N147 WeakPolarHBondContact CB-ND2 3.08Å; S133-N147 PolarHBondContact OG-ND2 3.12Å; K145-N147 PolarHBondContact O-N 2.71Å; N147-K184 PolarHBondContact O-NZ 3.41Å | ||
| 148 | S | 86.1 | Confident | 88.4 | Confident | 6 Ų | 6 | 49.1 Ų | 49.1 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | trans | -63.4 | 144.9 | 177.4 | -168.2 | 0 | 0 | 0 | 0 | 110.5 | N146 Y150 H151 K184 | N146-S148 PolarHBondContact O-N 3.12Å; N146-S148 WeakPolarHBondContact OD1-CB 3.43Å; N146-S148 PolarHBondContact OD1-N 2.75Å; S148-Y150 PolarHBondContact OG-N 3.3Å; S148-H151 VanDerWaalsContact CB-O 3.23Å; S148-H151 WeakPolarHBondContact CB-O 3.29Å; S148-H151 WeakPolarHBondContact OG-CB 3.47Å; S148-H151 PolarHBondContact OG-N 3.28Å; S148-H151 PolarHBondContact OG-ND1 3.5Å; S148-H151 PolarHBondContact OG-O 3.37Å; S148-K184 WeakPolarHBondContact O-CD 3.23Å; S148-K184 PolarHBondContact O-N 3.43Å | ||
| 149 | R | 86.7 | Confident | 88.2 | Confident | 179 Ų | 179 | 47.9 Ų | 47.9 | 68% | 0.675 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -88.7 | -21 | 172.4 | -69.4 | -179 | -176 | -162.2 | -0.1 | 112.4 | ||
| 150 | Y | 85.2 | Confident | 88.2 | Confident | 180 Ų | 180 | 46.2 Ų | 46.2 | 71% | 0.706 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -133 | -27.9 | -165.2 | -52.4 | -66.1 | 0 | 0 | 0 | 113.2 | S148 | S148-Y150 PolarHBondContact OG-N 3.3Š|
| 151 | H | 82.5 | Confident | 88 | Confident | 109 Ų | 109 | 45 Ų | 45 | 51% | 0.505 | 21% | 0.21 | S | C | . | . | trans | -105.2 | 137.1 | -172.9 | -52 | 103.7 | 0 | 0 | 0 | 110.9 | N146 S148 | N146-H151 PolarHBondContact ND2-O 3.11Å; S148-H151 VanDerWaalsContact CB-O 3.23Å; S148-H151 WeakPolarHBondContact CB-O 3.29Å; S148-H151 WeakPolarHBondContact OG-CB 3.47Å; S148-H151 PolarHBondContact OG-N 3.28Å; S148-H151 PolarHBondContact OG-ND1 3.5Å; S148-H151 PolarHBondContact OG-O 3.37Å | ||
| 152 | T | 84.8 | Confident | 87.9 | Confident | 71 Ų | 71 | 42.3 Ų | 42.3 | 44% | 0.436 | 20% | 0.199 | S | C | . | . | trans | -67.8 | 160.6 | 165.6 | 50.2 | 0 | 0 | 0 | 0 | 110.2 | V180 M181 | T152-V180 HydrophobicContact CG2-CG1 4.08Å; T152-M181 CarbonylContact C-O 3.54Å; T152-M181 VanDerWaalsContact CA-O 3.25Å; T152-M181 WeakPolarHBondContact CA-O 3.42Å | ||
| 153 | Q | 85.1 | Confident | 87.6 | Confident | 5 Ų | 5 | 44.5 Ų | 44.5 | 2% | 0.023 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 119.3 | 176.2 | 178.1 | 59.6 | 48.1 | 0 | 0 | 109.3 | S129 I132 N146 M181 | S129-Q153 PolarHBondContact O-OE1 2.96Å; S129-Q153 PolarHBondContact OG-OE1 2.84Å; I132-Q153 HydrophobicContact CB-CG 4.45Å; I132-Q153 HydrophobicContact CD1-CG 4.36Å; N146-Q153 HydrophobicContact CB-CB 4.3Å; N146-Q153 PolarHBondContact ND2-N 2.84Å; Q153-M181 HydrophobicContact CB-CB 4.28Å; Q153-M181 PolarHBondContact N-O 2.7Å; Q153-M181 WeakPolarHBondContact O-CB 3.46Å; Q153-M181 PolarHBondContact O-N 2.69Å |
| 154 | C | 85.6 | Confident | 87.4 | Confident | 9 Ų | 9 | 44.6 Ų | 44.6 | 6% | 0.061 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 143.8 | 170.2 | -156.9 | 0 | 0 | 0 | 0 | 110.3 | D156 F158 V179 | C154-D156 PolarHBondContact SG-OD2 2.84Å; C154-F158 WeakPolarHBondContact O-CE2 3.36Å; C154-V179 WeakPolarHBondContact CA-O 3.35Å |
| 155 | L | 86.3 | Confident | 87.3 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -97.3 | 2.4 | 173.5 | -63.8 | -174.3 | 0 | 0 | 0 | 113.6 | I132 L144 F158 L175 V179 M181 F187 | I132-L155 HydrophobicContact CD1-CD2 3.38Å; L144-L155 HydrophobicContact CD1-CD1 4.14Å; L144-L155 HydrophobicContact CD1-CD2 4.13Å; L155-F158 PolarHBondContact O-N 3.15Å; L155-L175 HydrophobicContact CB-CB 4.46Å; L155-L175 HydrophobicContact CB-CD1 4.39Å; L155-L175 HydrophobicContact CD1-CD1 4.29Å; L155-L175 HydrophobicContact CD2-CD1 4.3Å; L155-V179 HydrophobicContact CB-CB 4.21Å; L155-V179 HydrophobicContact CD1-CB 4.17Å; L155-V179 HydrophobicContact CD1-CG1 3.7Å; L155-V179 HydrophobicContact CG-CB 4.37Å; L155-V179 HydrophobicContact CG-CG1 4.14Å; L155-V179 PolarHBondContact N-O 2.78Å; L155-M181 HydrophobicContact CD1-CG 4.22Å; L155-M181 HydrophobicContact CD1-SD 4.09Å; L155-M181 HydrophobicContact CD2-CG 4.32Å; L155-M181 HydrophobicContact CD2-SD 3.65Å; L155-M181 HydrophobicContact CG-CG 4.12Å; L155-M181 HydrophobicContact CG-SD 4.05Å; L155-F187 HydrophobicContact CD1-CB 4.36Å; L155-F187 HydrophobicContact CD1-CD1 3.54Å; L155-F187 HydrophobicContact CD1-CD2 4.38Å; L155-F187 HydrophobicContact CD1-CE1 3.83Å; L155-F187 HydrophobicContact CD1-CG 3.83Å; L155-F187 HydrophobicContact CD1-CZ 4.38Å | ||
| 156 | D | 81.7 | Confident | 87.1 | Confident | 47 Ų | 47 | 49.7 Ų | 49.7 | 25% | 0.251 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 141.9 | 177.1 | -65.8 | -7.2 | 0 | 0 | 0 | 111.2 | W128 C154 F158 T177 G178 | W128-D156 WeakPolarHBondContact CH2-O 3.41Å; W128-D156 WeakPolarHBondContact CZ3-O 3.46Å; C154-D156 PolarHBondContact SG-OD2 2.84Å; D156-F158 WeakPolarHBondContact O-CD2 3.38Å; D156-F158 PolarHBondContact O-N 2.89Å; D156-T177 WeakPolarHBondContact OD1-CA 3.46Å; D156-G178 PolarHBondContact OD1-N 2.86Å |
| 157 | D | 80 | Confident | 87 | Confident | 89 Ų | 89 | 54.2 Ų | 54.2 | 48% | 0.476 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 8.4 | -176.4 | -27.1 | -61.9 | 0 | 0 | 0 | 117.7 | W128 L159 A225 | W128-D157 HydrophobicContact CH2-CB 3.69Å; W128-D157 HydrophobicContact CZ2-CB 4.46Å; D157-L159 PolarHBondContact O-N 3.13Å; D157-A225 HydrophobicContact CB-CB 3.71Å |
| 158 | F | 87 | Confident | 87.2 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 1% | 0.009 | 29% | 0.291 | C | S | . | . | trans | -69 | 134.8 | 169.9 | -79.7 | -90.2 | 0 | 0 | 0 | 110.4 | W128 I132 C154 L155 D156 P174 L175 L222 L223 A230 | W128-F158 HydrophobicContact CE3-CD2 4.18Å; W128-F158 HydrophobicContact CE3-CE1 4.42Å; W128-F158 AromaticContact CE3-CE2 3.56Å; W128-F158 HydrophobicContact CE3-CE2 3.56Å; W128-F158 AromaticContact CE3-CZ 3.74Å; W128-F158 HydrophobicContact CE3-CZ 3.74Å; W128-F158 AromaticContact CZ3-CD2 3.64Å; W128-F158 HydrophobicContact CZ3-CD2 3.64Å; W128-F158 AromaticContact CZ3-CE2 3.49Å; W128-F158 HydrophobicContact CZ3-CE2 3.49Å; W128-F158 VanDerWaalsContact CZ3-CE2 3.49Å; W128-F158 HydrophobicContact CZ3-CG 4.25Å; W128-F158 HydrophobicContact CZ3-CZ 4.05Å; I132-F158 HydrophobicContact CG2-CE1 3.99Å; I132-F158 HydrophobicContact CG2-CZ 4.25Å; C154-F158 WeakPolarHBondContact O-CE2 3.36Å; L155-F158 PolarHBondContact O-N 3.15Å; D156-F158 WeakPolarHBondContact O-CD2 3.38Å; D156-F158 PolarHBondContact O-N 2.89Å; F158-P174 WeakPolarHBondContact O-CA 3.27Å; F158-L175 HydrophobicContact CB-CB 4.5Å; F158-L175 HydrophobicContact CB-CD1 3.96Å; F158-L175 HydrophobicContact CB-CG 4.26Å; F158-L175 PolarHBondContact O-N 2.97Å; F158-L222 HydrophobicContact CB-CD1 4.16Å; F158-L222 HydrophobicContact CB-CG 4.3Å; F158-L222 HydrophobicContact CD1-CD1 4.35Å; F158-L222 HydrophobicContact CD1-CD2 3.44Å; F158-L222 VanDerWaalsContact CD1-CD2 3.44Å; F158-L222 HydrophobicContact CD1-CG 3.58Å; F158-L222 HydrophobicContact CE1-CD2 3.73Å; F158-L222 HydrophobicContact CE1-CG 4.27Å; F158-L222 HydrophobicContact CG-CD2 4.16Å; F158-L222 HydrophobicContact CG-CG 4.31Å; F158-L223 CarbonylContact C-O 3.59Å; F158-L223 WeakPolarHBondContact CA-O 3.48Å; F158-L223 WeakPolarHBondContact CD1-O 3.44Å; F158-A230 HydrophobicContact CD1-CB 4.16Å; F158-A230 HydrophobicContact CE1-CB 3.43Å; F158-A230 VanDerWaalsContact CE1-CB 3.43Å; F158-A230 HydrophobicContact CZ-CB 4.31Å | ||
| 159 | L | 89.7 | Confident | 87.5 | Confident | 50 Ų | 50 | 56.1 Ų | 56.1 | 26% | 0.262 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 131.1 | 175.7 | -50.6 | 178.6 | 0 | 0 | 0 | 110.3 | D157 V173 P174 L222 L223 | D157-L159 PolarHBondContact O-N 3.13Å; L159-V173 CarbonylContact C-O 3.6Å; L159-V173 WeakPolarHBondContact CA-O 3.18Å; L159-P174 HydrophobicContact CD2-CB 3.96Å; L159-L222 CarbonylContact O-C 3.56Å; L159-L222 WeakPolarHBondContact O-CA 3.32Å; L159-L223 HydrophobicContact CB-CB 4.21Å; L159-L223 PolarHBondContact N-O 3.34Å; L159-L223 PolarHBondContact O-N 2.91Å |
| 160 | F | 91.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 132.5 | 172.7 | 175.4 | -127.6 | 0 | 0 | 0 | 111.1 | I142 R162 V170 G172 V173 L175 L206 F212 D220 R221 L222 | I142-F160 HydrophobicContact CD1-CD1 4.27Å; I142-F160 HydrophobicContact CD1-CD2 3.65Å; I142-F160 HydrophobicContact CD1-CE1 4.23Å; I142-F160 HydrophobicContact CD1-CE2 3.64Å; I142-F160 HydrophobicContact CD1-CG 4Å; I142-F160 HydrophobicContact CD1-CZ 3.93Å; I142-F160 HydrophobicContact CG2-CE2 4.23Å; I142-F160 HydrophobicContact CG2-CZ 3.91Å; F160-R162 HydrophobicContact CE2-CB 4.42Å; F160-R162 HydrophobicContact CZ-CB 3.95Å; F160-V170 HydrophobicContact CD1-CB 4.48Å; F160-V170 HydrophobicContact CD1-CG1 3.78Å; F160-V170 HydrophobicContact CE1-CB 4.24Å; F160-V170 HydrophobicContact CE1-CG1 4Å; F160-V170 HydrophobicContact CE1-CG2 4.12Å; F160-G172 PolarHBondContact O-N 3.43Å; F160-V173 PolarHBondContact N-O 2.81Å; F160-V173 PolarHBondContact O-N 2.98Å; F160-L175 HydrophobicContact CB-CD2 4.23Å; F160-L206 HydrophobicContact CD1-CD1 4.24Å; F160-F212 HydrophobicContact CE1-CD1 4.31Å; F160-F212 AromaticContact CE1-CD2 3.95Å; F160-F212 HydrophobicContact CE1-CD2 3.95Å; F160-F212 HydrophobicContact CE1-CE1 4.39Å; F160-F212 HydrophobicContact CE1-CE2 4.02Å; F160-F212 HydrophobicContact CE1-CG 4.1Å; F160-F212 HydrophobicContact CE1-CZ 4.26Å; F160-F212 HydrophobicContact CZ-CD2 4.39Å; F160-D220 HydrophobicContact CE2-CB 4.37Å; F160-D220 WeakPolarHBondContact CE2-OD1 3.41Å; F160-R221 CarbonylContact C-O 3.35Å; F160-R221 WeakPolarHBondContact CA-O 3.33Å; F160-R221 WeakPolarHBondContact CD2-O 3.41Å; F160-L222 HydrophobicContact CB-CD1 4.49Å |
| 161 | S | 91.5 | Very high | 88.1 | Confident | 16 Ų | 16 | 43.8 Ų | 43.8 | 11% | 0.112 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 148.3 | 172.3 | -52.9 | 0 | 0 | 0 | 0 | 110.7 | V170 G172 D220 R221 | S161-V170 CarbonylContact C-O 3.57Å; S161-V170 VanDerWaalsContact CA-O 3.27Å; S161-V170 WeakPolarHBondContact CA-O 3.18Å; S161-G172 WeakPolarHBondContact OG-CA 3.08Å; S161-G172 PolarHBondContact OG-N 3.22Å; S161-D220 CarbonylContact O-C 3.5Å; S161-D220 WeakPolarHBondContact O-CA 3.2Å; S161-R221 PolarHBondContact N-O 3.38Å; S161-R221 PolarHBondContact O-N 3.32Å |
| 162 | R | 91.4 | Very high | 88.3 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 0% | 0.004 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 140.5 | 177.5 | 174.7 | 174.5 | -73.7 | -167.7 | -4.6 | 111.1 | S137 H138 F160 V164 A168 T169 V170 F212 E219 D220 | S137-R162 PolarHBondContact OG-NH2 3.13Å; H138-R162 PolarHBondContact O-NH1 3.34Å; F160-R162 HydrophobicContact CE2-CB 4.42Å; F160-R162 HydrophobicContact CZ-CB 3.95Å; R162-V164 HydrophobicContact CG-CG2 3.8Å; R162-A168 CarbonylContact O-C 3.5Å; R162-A168 WeakPolarHBondContact O-CA 3.4Å; R162-T169 PolarHBondContact O-N 2.86Å; R162-T169 PolarHBondContact O-OG1 3.21Å; R162-V170 HydrophobicContact CB-CB 3.95Å; R162-V170 HydrophobicContact CB-CG2 4.07Å; R162-V170 PolarHBondContact N-O 2.98Å; R162-V170 PolarHBondContact O-N 3.03Å; R162-F212 WeakPolarHBondContact CD-O 3.32Å; R162-E219 WeakPolarHBondContact CA-O 3.25Å; R162-D220 IonicContact CZ-OD1 2.66Å; R162-D220 IonicContact CZ-OD2 2.65Å; R162-D220 IonicContact NE-OD1 3.71Å; R162-D220 PolarHBondContact NE-OD1 3.12Å; R162-D220 IonicContact NE-OD2 3.17Å; R162-D220 VanDerWaalsContact NH2-CG 3.27Å; R162-D220 IonicContact NH2-OD1 3.39Å; R162-D220 PolarHBondContact NH2-OD1 3.03Å; R162-D220 IonicContact NH2-OD2 3.99Å; R162-D220 PolarHBondContact NH2-OD2 2.9Å |
| 163 | I | 88.6 | Confident | 88.6 | Confident | 47 Ų | 47 | 37.6 Ų | 37.6 | 24% | 0.241 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 123.4 | 169.9 | -56.6 | 179.4 | 0 | 0 | 0 | 109.1 | V167 I218 E219 | I163-V167 CarbonylContact C-O 3.56Å; I163-V167 WeakPolarHBondContact CA-O 3.36Å; I163-I218 HydrophobicContact CB-CB 4.37Å; I163-I218 HydrophobicContact CG2-CB 4.11Å; I163-I218 HydrophobicContact CG2-CG1 4.46Å; I163-I218 PolarHBondContact O-N 3.13Å; I163-E219 HydrophobicContact CB-CB 4.21Å; I163-E219 PolarHBondContact N-O 3.4Å; I163-E219 PolarHBondContact O-N 2.91Å |
| 164 | V | 89.6 | Confident | 88.8 | Confident | 8 Ų | 8 | 41.3 Ų | 41.3 | 5% | 0.048 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 127.1 | 175 | -179.5 | 0 | 0 | 0 | 0 | 108.3 | R162 G166 V167 T169 G215 K216 I217 | R162-V164 HydrophobicContact CG-CG2 3.8Å; V164-G166 PolarHBondContact O-N 3.36Å; V164-G166 VanDerWaalsContact O-N 3.07Å; V164-V167 PolarHBondContact N-O 3.43Å; V164-V167 PolarHBondContact O-N 3.35Å; V164-T169 HydrophobicContact CB-CG2 3.77Å; V164-T169 HydrophobicContact CG2-CG2 3.98Å; V164-G215 VanDerWaalsContact CG1-CA 3.42Å; V164-K216 WeakPolarHBondContact CA-O 3.35Å; V164-I217 HydrophobicContact CG2-CG1 4.39Å |
| 165 | D | 89.4 | Confident | 89 | Confident | 104 Ų | 104 | 41.2 Ų | 41.2 | 56% | 0.556 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 33.8 | -178.7 | -58.8 | -41.7 | 0 | 0 | 0 | 113.9 | V167 G215 K216 | D165-V167 VanDerWaalsContact C-N 3.29Å; D165-V167 PolarHBondContact O-N 3.49Å; D165-G215 WeakPolarHBondContact OD2-CA 3.5Å; D165-K216 PolarHBondContact N-O 3.05Å; D165-K216 WeakPolarHBondContact OD1-CB 3.13Å; D165-K216 PolarHBondContact OD1-N 2.86Å |
| 166 | G | 87 | Confident | 89 | Confident | 61 Ų | 61 | 43.1 Ų | 43.1 | 63% | 0.629 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.6 | -0 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | V164 | V164-G166 PolarHBondContact O-N 3.36Å; V164-G166 VanDerWaalsContact O-N 3.07Å |
| 167 | V | 89.5 | Confident | 89 | Confident | 95 Ų | 95 | 46.2 Ų | 46.2 | 58% | 0.576 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 132 | 177.2 | -177.7 | 0 | 0 | 0 | 0 | 110 | I163 V164 D165 T169 | I163-V167 CarbonylContact C-O 3.56Å; I163-V167 WeakPolarHBondContact CA-O 3.36Å; V164-V167 PolarHBondContact N-O 3.43Å; V164-V167 PolarHBondContact O-N 3.35Å; D165-V167 VanDerWaalsContact C-N 3.29Å; D165-V167 PolarHBondContact O-N 3.49Å; V167-T169 PolarHBondContact O-N 3.47Å; V167-T169 VanDerWaalsContact O-N 3.09Å |
| 168 | A | 91.8 | Very high | 89 | Confident | 61 Ų | 61 | 44.2 Ų | 44.2 | 50% | 0.504 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 103.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110 | R162 | R162-A168 CarbonylContact O-C 3.5Å; R162-A168 WeakPolarHBondContact O-CA 3.4Å |
| 169 | T | 92.9 | Very high | 89 | Confident | 45 Ų | 45 | 44.9 Ų | 44.9 | 28% | 0.276 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | -24.3 | 179.1 | 52.3 | 0 | 0 | 0 | 0 | 112.4 | R162 V164 V167 F212 | R162-T169 PolarHBondContact O-N 2.86Å; R162-T169 PolarHBondContact O-OG1 3.21Å; V164-T169 HydrophobicContact CB-CG2 3.77Å; V164-T169 HydrophobicContact CG2-CG2 3.98Å; V167-T169 PolarHBondContact O-N 3.47Å; V167-T169 VanDerWaalsContact O-N 3.09Å; T169-F212 WeakPolarHBondContact CB-O 3.11Å; T169-F212 PolarHBondContact OG1-O 2.88Å |
| 170 | V | 92.7 | Very high | 88.8 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.012 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 128.8 | 170 | -174 | 0 | 0 | 0 | 0 | 107.4 | F160 S161 R162 V173 F209 F212 | F160-V170 HydrophobicContact CD1-CB 4.48Å; F160-V170 HydrophobicContact CD1-CG1 3.78Å; F160-V170 HydrophobicContact CE1-CB 4.24Å; F160-V170 HydrophobicContact CE1-CG1 4Å; F160-V170 HydrophobicContact CE1-CG2 4.12Å; S161-V170 CarbonylContact C-O 3.57Å; S161-V170 VanDerWaalsContact CA-O 3.27Å; S161-V170 WeakPolarHBondContact CA-O 3.18Å; R162-V170 HydrophobicContact CB-CB 3.95Å; R162-V170 HydrophobicContact CB-CG2 4.07Å; R162-V170 PolarHBondContact N-O 2.98Å; R162-V170 PolarHBondContact O-N 3.03Å; V170-V173 HydrophobicContact CG1-CB 4.17Å; V170-V173 HydrophobicContact CG1-CG2 3.57Å; V170-F209 HydrophobicContact CB-CE1 4.33Å; V170-F209 HydrophobicContact CG1-CE1 4.2Å; V170-F209 HydrophobicContact CG1-CE2 4.45Å; V170-F209 HydrophobicContact CG1-CZ 3.98Å; V170-F209 HydrophobicContact CG2-CD1 4.04Å; V170-F209 HydrophobicContact CG2-CE1 3.95Å; V170-F212 HydrophobicContact CG2-CB 3.81Å; V170-F212 HydrophobicContact CG2-CD1 3.66Å; V170-F212 HydrophobicContact CG2-CG 4.02Å |
| 171 | N | 90.4 | Very high | 88.7 | Confident | 98 Ų | 98 | 44.9 Ų | 44.9 | 52% | 0.524 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 102.2 | -174.4 | -176.1 | 39.1 | 0 | 0 | 0 | 111.2 | V173 | N171-V173 PolarHBondContact O-N 2.71Å |
| 172 | G | 86.8 | Confident | 88.7 | Confident | 25 Ų | 25 | 49.6 Ų | 49.6 | 26% | 0.258 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 60 | 42.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | F160 S161 | F160-G172 PolarHBondContact O-N 3.43Å; S161-G172 WeakPolarHBondContact OG-CA 3.08Å; S161-G172 PolarHBondContact OG-N 3.22Å |
| 173 | V | 90.8 | Very high | 88.7 | Confident | 25 Ų | 25 | 51.5 Ų | 51.5 | 15% | 0.152 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 125 | -177.2 | -179.7 | 0 | 0 | 0 | 0 | 110.1 | L159 F160 V170 N171 L206 F209 | L159-V173 CarbonylContact C-O 3.6Å; L159-V173 WeakPolarHBondContact CA-O 3.18Å; F160-V173 PolarHBondContact N-O 2.81Å; F160-V173 PolarHBondContact O-N 2.98Å; V170-V173 HydrophobicContact CG1-CB 4.17Å; V170-V173 HydrophobicContact CG1-CG2 3.57Å; N171-V173 PolarHBondContact O-N 2.71Å; V173-L206 HydrophobicContact CG1-CD1 4.03Å; V173-L206 HydrophobicContact CG1-CD2 4.21Å; V173-F209 HydrophobicContact CB-CE2 4.46Å; V173-F209 HydrophobicContact CG1-CE2 4.2Å; V173-F209 HydrophobicContact CG2-CE2 3.62Å; V173-F209 HydrophobicContact CG2-CZ 3.51Å |
| 174 | P | 90.3 | Very high | 88.8 | Confident | 83 Ų | 83 | 54.2 Ų | 54.2 | 54% | 0.539 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 139.4 | 178.3 | 27.1 | -34.1 | 0 | 0 | 0 | 111.4 | F158 L159 | F158-P174 WeakPolarHBondContact O-CA 3.27Å; L159-P174 HydrophobicContact CD2-CB 3.96Å |
| 175 | L | 89.4 | Confident | 89 | Confident | 7 Ų | 7 | 55.4 Ų | 55.4 | 4% | 0.037 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 160.9 | 166.3 | -65.9 | -169.3 | 0 | 0 | 0 | 110.7 | L144 L155 F158 F160 T177 V189 L222 | L144-L175 HydrophobicContact CD1-CD1 3.6Å; L155-L175 HydrophobicContact CB-CB 4.46Å; L155-L175 HydrophobicContact CB-CD1 4.39Å; L155-L175 HydrophobicContact CD1-CD1 4.29Å; L155-L175 HydrophobicContact CD2-CD1 4.3Å; F158-L175 HydrophobicContact CB-CB 4.5Å; F158-L175 HydrophobicContact CB-CD1 3.96Å; F158-L175 HydrophobicContact CB-CG 4.26Å; F158-L175 PolarHBondContact O-N 2.97Å; F160-L175 HydrophobicContact CB-CD2 4.23Å; L175-T177 PolarHBondContact O-N 2.84Å; L175-V189 HydrophobicContact CD2-CG1 4.2Å; L175-V189 HydrophobicContact CD2-CG2 3.84Å; L175-L222 HydrophobicContact CD1-CD1 3.72Å; L175-L222 HydrophobicContact CG-CD1 4.37Å |
| 176 | P | 85.7 | Confident | 89.3 | Confident | 39 Ų | 39 | 54.6 Ų | 54.6 | 25% | 0.253 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 138.3 | 179.6 | -16.8 | 27.6 | 0 | 0 | 0 | 111.7 | V179 C204 | P176-V179 HydrophobicContact CB-CG2 4.03Å; P176-C204 HydrophobicContact CG-CB 3.4Å; P176-C204 VanDerWaalsContact CG-CB 3.4Å; P176-C204 WeakPolarHBondContact CG-SG 3.4Å |
| 177 | T | 83 | Confident | 89.6 | Confident | 113 Ų | 113 | 51.8 Ų | 51.8 | 69% | 0.693 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | 154.6 | 175.5 | 56.3 | 0 | 0 | 0 | 0 | 111.6 | D156 L175 V179 | D156-T177 WeakPolarHBondContact OD1-CA 3.46Å; L175-T177 PolarHBondContact O-N 2.84Å; T177-V179 VanDerWaalsContact C-N 3.28Å; T177-V179 PolarHBondContact O-N 2.89Å |
| 178 | G | 79.5 | Confident | 90 | Very high | 46 Ų | 46 | 48.3 Ų | 48.3 | 47% | 0.474 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | 4.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | D156 | D156-G178 PolarHBondContact OD1-N 2.86Š|
| 179 | V | 86.2 | Confident | 90.2 | Very high | 17 Ų | 17 | 45.4 Ų | 45.4 | 10% | 0.103 | 27% | 0.27 | C | S | . | . | trans | -85.8 | 117.4 | 178.3 | 178.5 | 0 | 0 | 0 | 0 | 110.4 | C154 L155 P176 T177 F187 | C154-V179 WeakPolarHBondContact CA-O 3.35Å; L155-V179 HydrophobicContact CB-CB 4.21Å; L155-V179 HydrophobicContact CD1-CB 4.17Å; L155-V179 HydrophobicContact CD1-CG1 3.7Å; L155-V179 HydrophobicContact CG-CB 4.37Å; L155-V179 HydrophobicContact CG-CG1 4.14Å; L155-V179 PolarHBondContact N-O 2.78Å; P176-V179 HydrophobicContact CB-CG2 4.03Å; T177-V179 VanDerWaalsContact C-N 3.28Å; T177-V179 PolarHBondContact O-N 2.89Å; V179-F187 HydrophobicContact CG1-CD2 3.76Å; V179-F187 HydrophobicContact CG1-CE2 3.54Å; V179-F187 HydrophobicContact CG1-CG 4.47Å; V179-F187 HydrophobicContact CG1-CZ 4.07Å; V179-F187 HydrophobicContact CG2-CE2 4.21Å; V179-F187 HydrophobicContact CG2-CZ 4.19Å | ||
| 180 | V | 86.7 | Confident | 90.4 | Very high | 49 Ų | 49 | 45.8 Ų | 45.8 | 30% | 0.297 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 106.4 | 176.7 | -176.7 | 0 | 0 | 0 | 0 | 110.4 | T152 | T152-V180 HydrophobicContact CG2-CG1 4.08Å |
| 181 | M | 90 | Very high | 90.5 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 123.8 | 176.8 | -61.7 | -178.2 | 69.3 | 0 | 0 | 111.3 | I132 L144 N146 T152 Q153 L155 S185 F187 | I132-M181 HydrophobicContact CD1-SD 3.94Å; L144-M181 HydrophobicContact CB-CE 4.24Å; L144-M181 HydrophobicContact CB-SD 4.39Å; N146-M181 HydrophobicContact CB-CB 4.07Å; N146-M181 HydrophobicContact CB-CE 4.12Å; N146-M181 PolarHBondContact ND2-O 3.35Å; N146-M181 VanDerWaalsContact ND2-O 3.16Å; T152-M181 CarbonylContact C-O 3.54Å; T152-M181 VanDerWaalsContact CA-O 3.25Å; T152-M181 WeakPolarHBondContact CA-O 3.42Å; Q153-M181 HydrophobicContact CB-CB 4.28Å; Q153-M181 PolarHBondContact N-O 2.7Å; Q153-M181 WeakPolarHBondContact O-CB 3.46Å; Q153-M181 PolarHBondContact O-N 2.69Å; L155-M181 HydrophobicContact CD1-CG 4.22Å; L155-M181 HydrophobicContact CD1-SD 4.09Å; L155-M181 HydrophobicContact CD2-CG 4.32Å; L155-M181 HydrophobicContact CD2-SD 3.65Å; L155-M181 HydrophobicContact CG-CG 4.12Å; L155-M181 HydrophobicContact CG-SD 4.05Å; M181-S185 WeakPolarHBondContact CE-O 3.34Å; M181-F187 HydrophobicContact CE-CB 3.67Å; M181-F187 HydrophobicContact CG-CB 4.15Å; M181-F187 HydrophobicContact SD-CB 3.89Å |
| 182 | Q | 91.8 | Very high | 90.8 | Very high | 114 Ų | 114 | 44.9 Ų | 44.9 | 53% | 0.533 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 157.2 | 173.7 | -62.1 | -58.9 | -37.8 | 0 | 0 | 111.9 | N146 K184 S185 | N146-Q182 WeakPolarHBondContact CB-O 3.23Å; N146-Q182 PolarHBondContact ND2-O 3.39Å; Q182-K184 PolarHBondContact O-N 2.98Å; Q182-S185 PolarHBondContact N-OG 2.74Å; Q182-S185 VanDerWaalsContact N-OG 3.12Å; Q182-S185 WeakPolarHBondContact O-CB 3.2Å; Q182-S185 PolarHBondContact O-N 3.12Å; Q182-S185 PolarHBondContact O-OG 2.65Å |
| 183 | P | 90 | Very high | 91 | Very high | 42 Ų | 42 | 45.4 Ų | 45.4 | 27% | 0.273 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | 134 | 173 | -24.6 | 32.9 | 0 | 0 | 0 | 111.3 | S185 | P183-S185 PolarHBondContact O-N 2.94Å; P183-S185 VanDerWaalsContact O-N 3.12Å |
| 184 | K | 91.5 | Very high | 91.1 | Very high | 103 Ų | 103 | 49.6 Ų | 49.6 | 45% | 0.448 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 5.6 | -177.3 | -54.9 | -57.3 | -173.3 | -174.7 | 0 | 116.4 | N146 N147 S148 Q182 | N146-K184 WeakPolarHBondContact O-CA 3.48Å; N146-K184 PolarHBondContact O-N 3.04Å; N147-K184 PolarHBondContact O-NZ 3.41Å; S148-K184 WeakPolarHBondContact O-CD 3.23Å; S148-K184 PolarHBondContact O-N 3.43Å; Q182-K184 PolarHBondContact O-N 2.98Å |
| 185 | S | 93.9 | Very high | 91.1 | Very high | 33 Ų | 33 | 53 Ų | 53 | 23% | 0.231 | 30% | 0.296 | C | S | . | . | trans | -77.4 | 163 | 177 | 81.2 | 0 | 0 | 0 | 0 | 112.3 | K145 N146 M181 Q182 P183 | K145-S185 WeakPolarHBondContact CA-O 3.46Å; N146-S185 PolarHBondContact N-O 3.19Å; M181-S185 WeakPolarHBondContact CE-O 3.34Å; Q182-S185 PolarHBondContact N-OG 2.74Å; Q182-S185 VanDerWaalsContact N-OG 3.12Å; Q182-S185 WeakPolarHBondContact O-CB 3.2Å; Q182-S185 PolarHBondContact O-N 3.12Å; Q182-S185 PolarHBondContact O-OG 2.65Å; P183-S185 PolarHBondContact O-N 2.94Å; P183-S185 VanDerWaalsContact O-N 3.12Å | ||
| 186 | E | 94.7 | Very high | 91.3 | Very high | 88 Ų | 88 | 53.4 Ų | 53.4 | 41% | 0.411 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 148.5 | 175.1 | -65.2 | 178.9 | -174.6 | 0 | 0 | 109.3 | I135 V143 L144 K145 | I135-E186 VanDerWaalsContact CD1-CD 3.5Å; I135-E186 HydrophobicContact CD1-CG 4.04Å; I135-E186 WeakPolarHBondContact CD1-OE1 3.38Å; V143-E186 HydrophobicContact CG1-CB 3.97Å; V143-E186 HydrophobicContact CG1-CG 4.34Å; L144-E186 CarbonylContact O-C 3.49Å; L144-E186 WeakPolarHBondContact O-CA 3.43Å; K145-E186 HydrophobicContact CB-CG 4.44Å; K145-E186 HydrophobicContact CG-CG 4.33Å; K145-E186 IonicContact NZ-OE1 3.62Å |
| 187 | F | 94.7 | Very high | 91.6 | Very high | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.009 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 128.3 | 175.9 | -173.8 | -92.1 | 0 | 0 | 0 | 109.1 | L144 L155 V179 M181 V189 K202 C204 | L144-F187 HydrophobicContact CB-CB 4.41Å; L144-F187 WeakPolarHBondContact CB-O 3.33Å; L144-F187 HydrophobicContact CD1-CD1 4.32Å; L144-F187 PolarHBondContact N-O 3.3Å; L144-F187 PolarHBondContact O-N 2.96Å; L155-F187 HydrophobicContact CD1-CB 4.36Å; L155-F187 HydrophobicContact CD1-CD1 3.54Å; L155-F187 HydrophobicContact CD1-CD2 4.38Å; L155-F187 HydrophobicContact CD1-CE1 3.83Å; L155-F187 HydrophobicContact CD1-CG 3.83Å; L155-F187 HydrophobicContact CD1-CZ 4.38Å; V179-F187 HydrophobicContact CG1-CD2 3.76Å; V179-F187 HydrophobicContact CG1-CE2 3.54Å; V179-F187 HydrophobicContact CG1-CG 4.47Å; V179-F187 HydrophobicContact CG1-CZ 4.07Å; V179-F187 HydrophobicContact CG2-CE2 4.21Å; V179-F187 HydrophobicContact CG2-CZ 4.19Å; M181-F187 HydrophobicContact CE-CB 3.67Å; M181-F187 HydrophobicContact CG-CB 4.15Å; M181-F187 HydrophobicContact SD-CB 3.89Å; F187-V189 HydrophobicContact CD1-CG2 4.05Å; F187-V189 HydrophobicContact CE1-CG2 4.01Å; F187-K202 CarbonylContact C-O 3.59Å; F187-K202 WeakPolarHBondContact CA-O 3.48Å; F187-C204 HydrophobicContact CE1-CB 4.29Å; F187-C204 HydrophobicContact CZ-CB 3.94Å |
| 188 | T | 96.5 | Very high | 92 | Very high | 22 Ų | 22 | 60.7 Ų | 60.7 | 14% | 0.135 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 125.9 | -174.9 | -50.2 | 0 | 0 | 0 | 0 | 111.3 | F141 I142 V143 Y190 K202 S203 C204 | F141-T188 HydrophobicContact CB-CG2 4.16Å; F141-T188 HydrophobicContact CD2-CG2 4.21Å; F141-T188 HydrophobicContact CG-CG2 4.47Å; I142-T188 WeakPolarHBondContact O-CA 2.78Å; I142-T188 WeakPolarHBondContact O-CG2 3.12Å; V143-T188 HydrophobicContact CG2-CG2 4.05Å; T188-Y190 HydrophobicContact CG2-CD1 4.25Å; T188-Y190 HydrophobicContact CG2-CD2 3.87Å; T188-Y190 HydrophobicContact CG2-CE1 3.79Å; T188-Y190 HydrophobicContact CG2-CE2 3.38Å; T188-Y190 HydrophobicContact CG2-CG 4.27Å; T188-K202 PolarHBondContact N-O 2.88Å; T188-S203 CarbonylContact O-C 3.6Å; T188-S203 WeakPolarHBondContact O-CA 3.26Å; T188-S203 VanDerWaalsContact O-CB 3.23Å; T188-S203 WeakPolarHBondContact O-CB 3.2Å; T188-C204 PolarHBondContact O-N 3Å |
| 189 | V | 95.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 113.9 | 175 | -175.8 | 0 | 0 | 0 | 0 | 107.4 | F141 I142 L144 L175 F187 L206 F212 | F141-V189 CarbonylContact C-O 3.55Å; F141-V189 WeakPolarHBondContact CA-O 3.02Å; F141-V189 WeakPolarHBondContact CB-O 2.99Å; I142-V189 HydrophobicContact CD1-CB 4.27Å; I142-V189 HydrophobicContact CD1-CG2 4.36Å; I142-V189 HydrophobicContact CG1-CB 3.71Å; I142-V189 HydrophobicContact CG1-CG2 4.16Å; I142-V189 PolarHBondContact N-O 2.87Å; I142-V189 PolarHBondContact O-N 2.97Å; L144-V189 HydrophobicContact CD1-CG2 4.09Å; L144-V189 HydrophobicContact CG-CG2 4.4Å; L175-V189 HydrophobicContact CD2-CG1 4.2Å; L175-V189 HydrophobicContact CD2-CG2 3.84Å; F187-V189 HydrophobicContact CD1-CG2 4.05Å; F187-V189 HydrophobicContact CE1-CG2 4.01Å; V189-L206 HydrophobicContact CG1-CD1 3.58Å; V189-L206 HydrophobicContact CG1-CD2 4.21Å; V189-L206 HydrophobicContact CG1-CG 3.6Å; V189-F212 HydrophobicContact CG1-CZ 4.2Å |
| 190 | Y | 97.3 | Very high | 92.4 | Very high | 53 Ų | 53 | 71 Ų | 71 | 21% | 0.208 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 147.8 | -179 | -69.1 | -81.5 | 0 | 0 | 0 | 111.9 | F141 T188 A196 C204 I205 L206 F212 | F141-Y190 HydrophobicContact CB-CD1 3.6Å; F141-Y190 HydrophobicContact CB-CE1 3.94Å; F141-Y190 HydrophobicContact CB-CG 4.31Å; F141-Y190 HydrophobicContact CD1-CE1 4.33Å; F141-Y190 HydrophobicContact CG-CD1 4.28Å; F141-Y190 HydrophobicContact CG-CE1 4.17Å; T188-Y190 HydrophobicContact CG2-CD1 4.25Å; T188-Y190 HydrophobicContact CG2-CD2 3.87Å; T188-Y190 HydrophobicContact CG2-CE1 3.79Å; T188-Y190 HydrophobicContact CG2-CE2 3.38Å; T188-Y190 HydrophobicContact CG2-CG 4.27Å; Y190-A196 HydrophobicContact CD1-CB 4.15Å; Y190-A196 HydrophobicContact CG-CB 3.88Å; Y190-C204 PolarHBondContact N-O 3.16Å; Y190-I205 WeakPolarHBondContact O-CA 3.47Å; Y190-L206 PolarHBondContact O-N 2.75Å; Y190-F212 VanDerWaalsContact C-CZ 3.5Å |
| 191 | A | 96 | Very high | 92.1 | Very high | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 156.8 | 152.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | D140 T193 A196 F209 F212 | D140-A191 WeakPolarHBondContact O-CB 3.04Å; D140-A191 PolarHBondContact O-N 3.26Å; A191-T193 VanDerWaalsContact C-N 3.33Å; A191-T193 HydrophobicContact CB-CG2 4.4Å; A191-T193 PolarHBondContact O-N 3.18Å; A191-T193 PolarHBondContact O-OG1 2.98Å; A191-A196 WeakPolarHBondContact O-CB 3.48Å; A191-F209 CarbonylContact C-O 3.5Å; A191-F209 WeakPolarHBondContact CA-O 3.35Å; A191-F209 HydrophobicContact CB-CB 4.3Å; A191-F209 WeakPolarHBondContact CB-O 3.47Å; A191-F212 HydrophobicContact CB-CD1 4.09Å; A191-F212 HydrophobicContact CB-CE1 3.88Å; A191-F212 HydrophobicContact CB-CG 4.48Å; A191-F212 HydrophobicContact CB-CZ 4.11Å |
| 192 | Q | 95.6 | Very high | 92.2 | Very high | 80 Ų | 80 | 78.4 Ų | 78.4 | 37% | 0.374 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -66.4 | 87.4 | 176 | -168 | -179.6 | 18.4 | 0 | 0 | 111 | I205 H207 F209 Q210 | Q192-I205 HydrophobicContact CB-CG2 4.1Å; Q192-I205 HydrophobicContact CG-CG2 4.49Å; Q192-H207 PolarHBondContact OE1-O 3.43Å; Q192-F209 WeakPolarHBondContact CB-O 3.36Å; Q192-F209 PolarHBondContact N-O 3.4Å; Q192-Q210 PolarHBondContact O-OE1 3.49Å; Q192-Q210 VanDerWaalsContact O-OE1 3.1Å |
| 193 | T | 92.6 | Very high | 92.4 | Very high | 36 Ų | 36 | 73.4 Ų | 73.4 | 22% | 0.221 | 35% | 0.354 | C | S | . | . | trans | -126.2 | 164.1 | 178.8 | 57.4 | 0 | 0 | 0 | 0 | 110.7 | D140 A191 H195 A196 Q210 | D140-T193 HydrophobicContact CB-CG2 3.84Å; A191-T193 VanDerWaalsContact C-N 3.33Å; A191-T193 HydrophobicContact CB-CG2 4.4Å; A191-T193 PolarHBondContact O-N 3.18Å; A191-T193 PolarHBondContact O-OG1 2.98Å; T193-H195 PolarHBondContact O-N 2.93Å; T193-H195 VanDerWaalsContact O-N 3.13Å; T193-A196 VanDerWaalsContact O-CB 3.32Å; T193-A196 WeakPolarHBondContact O-CB 3.35Å; T193-A196 PolarHBondContact O-N 2.68Å; T193-Q210 VanDerWaalsContact CG2-O 3.31Å; T193-Q210 WeakPolarHBondContact CG2-O 3.33Å | ||
| 194 | S | 92.2 | Very high | 92.7 | Very high | 114 Ų | 114 | 71.6 Ų | 71.6 | 80% | 0.797 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -22.7 | -179.8 | 54.9 | 0 | 0 | 0 | 0 | 114.2 | ||
| 195 | H | 90.1 | Very high | 92.9 | Very high | 154 Ų | 154 | 68 Ų | 68 | 71% | 0.713 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -10.6 | 179.3 | -55.8 | -55.8 | 0 | 0 | 0 | 113.3 | T193 | T193-H195 PolarHBondContact O-N 2.93Å; T193-H195 VanDerWaalsContact O-N 3.13Å |
| 196 | A | 93.3 | Very high | 92.9 | Very high | 16 Ų | 16 | 67.2 Ų | 67.2 | 13% | 0.132 | 32% | 0.321 | C | S | . | . | trans | -66.7 | 134.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y190 A191 T193 I205 | Y190-A196 HydrophobicContact CD1-CB 4.15Å; Y190-A196 HydrophobicContact CG-CB 3.88Å; A191-A196 WeakPolarHBondContact O-CB 3.48Å; T193-A196 VanDerWaalsContact O-CB 3.32Å; T193-A196 WeakPolarHBondContact O-CB 3.35Å; T193-A196 PolarHBondContact O-N 2.68Å; A196-I205 HydrophobicContact CB-CD1 3.74Å; A196-I205 HydrophobicContact CB-CG1 4.01Å | ||
| 197 | R | 92.3 | Very high | 92.8 | Very high | 182 Ų | 182 | 67.9 Ų | 67.9 | 69% | 0.687 | 32% | 0.324 | S | S | * | . | trans | -131.2 | 127.4 | 174.9 | -65.4 | -173.1 | -176.7 | -143.4 | 0.1 | 108.8 | I199 S203 | R197-I199 HydrophobicContact CB-CG1 4.45Å; R197-S203 WeakPolarHBondContact O-CB 3.49Å; R197-S203 PolarHBondContact O-OG 3.39Å | ||
| 198 | E | 91.8 | Very high | 92.6 | Very high | 122 Ų | 122 | 77 Ų | 77 | 57% | 0.57 | 36% | 0.359 | S | S | * | . | trans | -84.9 | 121.1 | 170.1 | -169.4 | 153.7 | -127.8 | 0 | 0 | 108.7 | I205 | E198-I205 HydrophobicContact CB-CD1 4.22Å; E198-I205 HydrophobicContact CB-CG1 4.25Å | ||
| 199 | I | 92.2 | Very high | 92.5 | Very high | 81 Ų | 81 | 77.8 Ų | 77.8 | 42% | 0.415 | 36% | 0.36 | S | S | . | . | B | Isolated β-bridge | trans | -132.9 | 116.2 | 177.9 | -58.6 | 175.3 | 0 | 0 | 0 | 105.1 | R197 D201 K202 S203 | R197-I199 HydrophobicContact CB-CG1 4.45Å; I199-D201 PolarHBondContact O-N 2.76Å; I199-K202 HydrophobicContact CB-CB 4.17Å; I199-K202 HydrophobicContact CG2-CB 4.07Å; I199-K202 HydrophobicContact CG2-CD 4.04Å; I199-K202 HydrophobicContact CG2-CG 4.01Å; I199-K202 PolarHBondContact O-N 2.78Å; I199-S203 PolarHBondContact N-O 3.43Å; I199-S203 PolarHBondContact N-OG 3.45Å; I199-S203 VanDerWaalsContact N-OG 3.15Å; I199-S203 PolarHBondContact O-N 3.29Å |
| 200 | Y | 81.4 | Confident | 92.4 | Very high | 198 Ų | 198 | 83.9 Ų | 83.9 | 78% | 0.776 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -46.2 | 135.5 | 175.6 | -174.7 | -95.6 | 0 | 0 | 0 | 110 | K202 | Y200-K202 PolarHBondContact O-N 2.97Å; Y200-K202 VanDerWaalsContact O-N 3.13Å |
| 201 | D | 79.9 | Confident | 92.3 | Very high | 84 Ų | 84 | 83.5 Ų | 83.5 | 45% | 0.449 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.7 | -6.3 | -175.9 | 79.5 | 33.2 | 0 | 0 | 0 | 118.7 | I199 | I199-D201 PolarHBondContact O-N 2.76Š|
| 202 | K | 93.3 | Very high | 92.2 | Very high | 122 Ų | 122 | 83.6 Ų | 83.6 | 53% | 0.53 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.4 | -30.7 | -178.8 | -50.2 | -167.8 | -179 | 167.6 | 0 | 114.7 | F187 T188 I199 Y200 | F187-K202 CarbonylContact C-O 3.59Å; F187-K202 WeakPolarHBondContact CA-O 3.48Å; T188-K202 PolarHBondContact N-O 2.88Å; I199-K202 HydrophobicContact CB-CB 4.17Å; I199-K202 HydrophobicContact CG2-CB 4.07Å; I199-K202 HydrophobicContact CG2-CD 4.04Å; I199-K202 HydrophobicContact CG2-CG 4.01Å; I199-K202 PolarHBondContact O-N 2.78Å; Y200-K202 PolarHBondContact O-N 2.97Å; Y200-K202 VanDerWaalsContact O-N 3.13Å |
| 203 | S | 96.2 | Very high | 91.9 | Very high | 9 Ų | 9 | 80.2 Ų | 80.2 | 6% | 0.063 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 153.9 | -178.1 | 53.6 | 0 | 0 | 0 | 0 | 113.5 | T188 R197 I199 | T188-S203 CarbonylContact O-C 3.6Å; T188-S203 WeakPolarHBondContact O-CA 3.26Å; T188-S203 VanDerWaalsContact O-CB 3.23Å; T188-S203 WeakPolarHBondContact O-CB 3.2Å; R197-S203 WeakPolarHBondContact O-CB 3.49Å; R197-S203 PolarHBondContact O-OG 3.39Å; I199-S203 PolarHBondContact N-O 3.43Å; I199-S203 PolarHBondContact N-OG 3.45Å; I199-S203 VanDerWaalsContact N-OG 3.15Å; I199-S203 PolarHBondContact O-N 3.29Å |
| 204 | C | 95.2 | Very high | 91.7 | Very high | 4 Ų | 4 | 84.2 Ų | 84.2 | 3% | 0.027 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 166.7 | 170.8 | 67.6 | 0 | 0 | 0 | 0 | 111.1 | P176 F187 T188 Y190 | P176-C204 HydrophobicContact CG-CB 3.4Å; P176-C204 VanDerWaalsContact CG-CB 3.4Å; P176-C204 WeakPolarHBondContact CG-SG 3.4Å; F187-C204 HydrophobicContact CE1-CB 4.29Å; F187-C204 HydrophobicContact CZ-CB 3.94Å; T188-C204 PolarHBondContact O-N 3Å; Y190-C204 PolarHBondContact N-O 3.16Å |
| 205 | I | 96 | Very high | 91.4 | Very high | 27 Ų | 27 | 80.4 Ų | 80.4 | 14% | 0.138 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 123.2 | 175.5 | -55 | 179.4 | 0 | 0 | 0 | 109.1 | Y190 Q192 A196 E198 H207 | Y190-I205 WeakPolarHBondContact O-CA 3.47Å; Q192-I205 HydrophobicContact CB-CG2 4.1Å; Q192-I205 HydrophobicContact CG-CG2 4.49Å; A196-I205 HydrophobicContact CB-CD1 3.74Å; A196-I205 HydrophobicContact CB-CG1 4.01Å; E198-I205 HydrophobicContact CB-CD1 4.22Å; E198-I205 HydrophobicContact CB-CG1 4.25Å; I205-H207 PolarHBondContact O-CD2 2.92Å; I205-H207 PolarHBondContact O-N 3.41Å; I205-H207 VanDerWaalsContact O-N 3.12Å |
| 206 | L | 94.2 | Very high | 91.3 | Very high | 18 Ų | 18 | 80.1 Ų | 80.1 | 9% | 0.094 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 85.6 | 168.7 | -57.2 | -175.1 | 0 | 0 | 0 | 108.8 | F160 V173 V189 Y190 R208 F209 F212 | F160-L206 HydrophobicContact CD1-CD1 4.24Å; V173-L206 HydrophobicContact CG1-CD1 4.03Å; V173-L206 HydrophobicContact CG1-CD2 4.21Å; V189-L206 HydrophobicContact CG1-CD1 3.58Å; V189-L206 HydrophobicContact CG1-CD2 4.21Å; V189-L206 HydrophobicContact CG1-CG 3.6Å; Y190-L206 PolarHBondContact O-N 2.75Å; L206-R208 PolarHBondContact O-N 2.91Å; L206-F209 HydrophobicContact CB-CD2 3.81Å; L206-F209 HydrophobicContact CB-CE2 4.48Å; L206-F209 HydrophobicContact CD1-CD2 4.5Å; L206-F209 PolarHBondContact O-N 3.15Å; L206-F212 HydrophobicContact CB-CE1 4.21Å; L206-F212 HydrophobicContact CB-CZ 4.44Å; L206-F212 HydrophobicContact CD1-CE1 3.88Å; L206-F212 HydrophobicContact CD1-CZ 3.88Å; L206-F212 HydrophobicContact CG-CE1 4.47Å; L206-F212 HydrophobicContact CG-CZ 4.35Å |
| 207 | H | 91.8 | Very high | 91 | Very high | 101 Ų | 101 | 81.5 Ų | 81.5 | 47% | 0.468 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -19.1 | -172.7 | -69.6 | -75.8 | 0 | 0 | 0 | 115.6 | Q192 I205 F209 | Q192-H207 PolarHBondContact OE1-O 3.43Å; I205-H207 PolarHBondContact O-CD2 2.92Å; I205-H207 PolarHBondContact O-N 3.41Å; I205-H207 VanDerWaalsContact O-N 3.12Å; H207-F209 VanDerWaalsContact C-N 3.26Å; H207-F209 PolarHBondContact O-N 3.11Å |
| 208 | R | 91.6 | Very high | 90.6 | Very high | 194 Ų | 194 | 77.3 Ų | 77.3 | 73% | 0.732 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -12.7 | 177.9 | -65.2 | -176.4 | 178.7 | -161.1 | -5.3 | 113.7 | L206 | L206-R208 PolarHBondContact O-N 2.91Š|
| 209 | F | 94.1 | Very high | 90.2 | Very high | 38 Ų | 38 | 73.6 Ų | 73.6 | 17% | 0.167 | 36% | 0.356 | C | S | . | . | trans | -117.1 | 120.1 | -173.9 | -60.5 | -85.4 | 0 | 0 | 0 | 109.8 | V170 V173 A191 Q192 L206 H207 T211 F212 | V170-F209 HydrophobicContact CB-CE1 4.33Å; V170-F209 HydrophobicContact CG1-CE1 4.2Å; V170-F209 HydrophobicContact CG1-CE2 4.45Å; V170-F209 HydrophobicContact CG1-CZ 3.98Å; V170-F209 HydrophobicContact CG2-CD1 4.04Å; V170-F209 HydrophobicContact CG2-CE1 3.95Å; V173-F209 HydrophobicContact CB-CE2 4.46Å; V173-F209 HydrophobicContact CG1-CE2 4.2Å; V173-F209 HydrophobicContact CG2-CE2 3.62Å; V173-F209 HydrophobicContact CG2-CZ 3.51Å; A191-F209 CarbonylContact C-O 3.5Å; A191-F209 WeakPolarHBondContact CA-O 3.35Å; A191-F209 HydrophobicContact CB-CB 4.3Å; A191-F209 WeakPolarHBondContact CB-O 3.47Å; Q192-F209 WeakPolarHBondContact CB-O 3.36Å; Q192-F209 PolarHBondContact N-O 3.4Å; L206-F209 HydrophobicContact CB-CD2 3.81Å; L206-F209 HydrophobicContact CB-CE2 4.48Å; L206-F209 HydrophobicContact CD1-CD2 4.5Å; L206-F209 PolarHBondContact O-N 3.15Å; H207-F209 VanDerWaalsContact C-N 3.26Å; H207-F209 PolarHBondContact O-N 3.11Å; F209-T211 VanDerWaalsContact C-N 3.28Å; F209-F212 HydrophobicContact CB-CD1 3.84Å; F209-F212 HydrophobicContact CB-CE1 3.82Å; F209-F212 HydrophobicContact CD1-CD1 4.41Å; F209-F212 HydrophobicContact CD2-CE1 4.24Å; F209-F212 HydrophobicContact CG-CD1 4.03Å; F209-F212 HydrophobicContact CG-CE1 4.04Å | ||
| 210 | Q | 94.3 | Very high | 90 | Very high | 129 Ų | 129 | 70.1 Ų | 70.1 | 60% | 0.603 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -76.8 | -23.7 | 167.9 | -61.6 | -60.4 | -42.5 | 0 | 0 | 111.4 | Q192 T193 | Q192-Q210 PolarHBondContact O-OE1 3.49Å; Q192-Q210 VanDerWaalsContact O-OE1 3.1Å; T193-Q210 VanDerWaalsContact CG2-O 3.31Å; T193-Q210 WeakPolarHBondContact CG2-O 3.33Å |
| 211 | T | 93.8 | Very high | 90.2 | Very high | 45 Ų | 45 | 65.5 Ų | 65.5 | 28% | 0.276 | 32% | 0.32 | S | S | . | . | trans | -156.4 | 155.8 | 171.5 | -174.1 | 0 | 0 | 0 | 0 | 107.8 | P139 D140 F209 G213 T214 | P139-T211 PolarHBondContact O-OG1 2.77Å; P139-T211 VanDerWaalsContact O-OG1 3.13Å; D140-T211 WeakPolarHBondContact OD1-CB 3.29Å; D140-T211 PolarHBondContact OD1-OG1 3.49Å; F209-T211 VanDerWaalsContact C-N 3.28Å; T211-G213 VanDerWaalsContact C-N 3.26Å; T211-G213 PolarHBondContact OG1-N 2.82Å; T211-T214 HydrophobicContact CG2-CG2 4.39Å | ||
| 212 | F | 93.5 | Very high | 90.6 | Very high | 1 Ų | 1 | 61.5 Ų | 61.5 | 0% | 0.004 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -86.1 | 0.9 | 166.8 | -52.5 | -37.8 | 0 | 0 | 0 | 111.9 | P139 F160 R162 T169 V170 V189 Y190 A191 L206 F209 | P139-F212 VanDerWaalsContact O-CA 3.32Å; P139-F212 WeakPolarHBondContact O-CA 3.41Å; P139-F212 WeakPolarHBondContact O-CB 3.5Å; P139-F212 PolarHBondContact O-N 2.93Å; F160-F212 HydrophobicContact CE1-CD1 4.31Å; F160-F212 AromaticContact CE1-CD2 3.95Å; F160-F212 HydrophobicContact CE1-CD2 3.95Å; F160-F212 HydrophobicContact CE1-CE1 4.39Å; F160-F212 HydrophobicContact CE1-CE2 4.02Å; F160-F212 HydrophobicContact CE1-CG 4.1Å; F160-F212 HydrophobicContact CE1-CZ 4.26Å; F160-F212 HydrophobicContact CZ-CD2 4.39Å; R162-F212 WeakPolarHBondContact CD-O 3.32Å; T169-F212 WeakPolarHBondContact CB-O 3.11Å; T169-F212 PolarHBondContact OG1-O 2.88Å; V170-F212 HydrophobicContact CG2-CB 3.81Å; V170-F212 HydrophobicContact CG2-CD1 3.66Å; V170-F212 HydrophobicContact CG2-CG 4.02Å; V189-F212 HydrophobicContact CG1-CZ 4.2Å; Y190-F212 VanDerWaalsContact C-CZ 3.5Å; A191-F212 HydrophobicContact CB-CD1 4.09Å; A191-F212 HydrophobicContact CB-CE1 3.88Å; A191-F212 HydrophobicContact CB-CG 4.48Å; A191-F212 HydrophobicContact CB-CZ 4.11Å; L206-F212 HydrophobicContact CB-CE1 4.21Å; L206-F212 HydrophobicContact CB-CZ 4.44Å; L206-F212 HydrophobicContact CD1-CE1 3.88Å; L206-F212 HydrophobicContact CD1-CZ 3.88Å; L206-F212 HydrophobicContact CG-CE1 4.47Å; L206-F212 HydrophobicContact CG-CZ 4.35Å; F209-F212 HydrophobicContact CB-CD1 3.84Å; F209-F212 HydrophobicContact CB-CE1 3.82Å; F209-F212 HydrophobicContact CD1-CD1 4.41Å; F209-F212 HydrophobicContact CD2-CE1 4.24Å; F209-F212 HydrophobicContact CG-CD1 4.03Å; F209-F212 HydrophobicContact CG-CE1 4.04Å |
| 213 | G | 91.1 | Very high | 90.2 | Very high | 9 Ų | 9 | 56.9 Ų | 56.9 | 9% | 0.093 | 28% | 0.279 | C | S | . | . | trans | 120.4 | 139.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | P139 T211 | P139-G213 WeakPolarHBondContact CA-O 3.4Å; P139-G213 VanDerWaalsContact CB-O 3.29Å; P139-G213 WeakPolarHBondContact CB-O 3.49Å; T211-G213 VanDerWaalsContact C-N 3.26Å; T211-G213 PolarHBondContact OG1-N 2.82Å | ||
| 214 | T | 86.7 | Confident | 89.3 | Confident | 121 Ų | 121 | 57.3 Ų | 57.3 | 74% | 0.742 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -105 | 20.4 | -164.5 | 49.7 | 0 | 0 | 0 | 0 | 115.2 | P139 T211 | P139-T214 HydrophobicContact CB-CG2 4.23Å; T211-T214 HydrophobicContact CG2-CG2 4.39Å |
| 215 | G | 87.6 | Confident | 88 | Confident | 33 Ų | 33 | 58.5 Ų | 58.5 | 34% | 0.34 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -116 | -155.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | V164 D165 I217 | V164-G215 VanDerWaalsContact CG1-CA 3.42Å; D165-G215 WeakPolarHBondContact OD2-CA 3.5Å; G215-I217 PolarHBondContact O-N 3.04Å; G215-I217 VanDerWaalsContact O-N 3.14Å |
| 216 | K | 87.2 | Confident | 86.6 | Confident | 149 Ų | 149 | 60.2 Ų | 60.2 | 65% | 0.648 | 30% | 0.299 | S | S | * | . | trans | -73.8 | 109.9 | 175.1 | -174.5 | -174.9 | 175 | -174.7 | 0 | 109 | V164 D165 I218 | V164-K216 WeakPolarHBondContact CA-O 3.35Å; D165-K216 PolarHBondContact N-O 3.05Å; D165-K216 WeakPolarHBondContact OD1-CB 3.13Å; D165-K216 PolarHBondContact OD1-N 2.86Å; K216-I218 HydrophobicContact CD-CD1 4Å; K216-I218 HydrophobicContact CG-CD1 4.19Å; K216-I218 PolarHBondContact O-N 3.2Å | ||
| 217 | I | 86.5 | Confident | 85.5 | Confident | 44 Ų | 44 | 61 Ų | 61 | 23% | 0.226 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 110.9 | 172.3 | -53.8 | 176.7 | 0 | 0 | 0 | 107.5 | S137 V164 G215 | S137-I217 WeakPolarHBondContact OG-CD1 3.32Å; V164-I217 HydrophobicContact CG2-CG1 4.39Å; G215-I217 PolarHBondContact O-N 3.04Å; G215-I217 VanDerWaalsContact O-N 3.14Å |
| 218 | I | 83.6 | Confident | 84.6 | Confident | 95 Ų | 95 | 58.9 Ų | 58.9 | 49% | 0.487 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | -39.1 | 175.1 | -59.4 | -58.8 | 0 | 0 | 0 | 109 | I163 K216 | I163-I218 HydrophobicContact CB-CB 4.37Å; I163-I218 HydrophobicContact CG2-CB 4.11Å; I163-I218 HydrophobicContact CG2-CG1 4.46Å; I163-I218 PolarHBondContact O-N 3.13Å; K216-I218 HydrophobicContact CD-CD1 4Å; K216-I218 HydrophobicContact CG-CD1 4.19Å; K216-I218 PolarHBondContact O-N 3.2Å |
| 219 | E | 84.9 | Confident | 83.7 | Confident | 43 Ų | 43 | 54.4 Ų | 54.4 | 20% | 0.201 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.7 | 148.2 | -170.8 | -172 | 164.1 | -136.9 | 0 | 0 | 113.5 | R162 I163 R221 Y233 | R162-E219 WeakPolarHBondContact CA-O 3.25Å; I163-E219 HydrophobicContact CB-CB 4.21Å; I163-E219 PolarHBondContact N-O 3.4Å; I163-E219 PolarHBondContact O-N 2.91Å; E219-R221 HydrophobicContact CG-CG 3.91Å; E219-R221 IonicContact OE1-CZ 2.73Å; E219-R221 IonicContact OE1-NE 2.63Å; E219-R221 PolarHBondContact OE1-NE 2.91Å; E219-R221 IonicContact OE1-NH2 3.82Å; E219-R221 PolarHBondContact OE1-NH2 3Å; E219-R221 IonicContact OE2-CZ 2.78Å; E219-R221 IonicContact OE2-NE 2.92Å; E219-R221 PolarHBondContact OE2-NE 3.37Å; E219-R221 IonicContact OE2-NH1 3.2Å; E219-R221 IonicContact OE2-NH2 3.5Å; E219-R221 PolarHBondContact OE2-NH2 3.19Å; E219-Y233 VanDerWaalsContact CG-OH 3.27Å; E219-Y233 WeakPolarHBondContact CG-OH 3.46Å |
| 220 | D | 88 | Confident | 82.6 | Confident | 8 Ų | 8 | 53.3 Ų | 53.3 | 4% | 0.043 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 81.7 | 178.6 | -95 | -29.8 | 0 | 0 | 0 | 112 | I134 S137 F160 S161 R162 Y233 | I134-D220 HydrophobicContact CD1-CB 3.79Å; I134-D220 WeakPolarHBondContact CD1-O 3.02Å; S137-D220 WeakPolarHBondContact CB-OD2 3.49Å; S137-D220 PolarHBondContact OG-OD2 3.06Å; F160-D220 HydrophobicContact CE2-CB 4.37Å; F160-D220 WeakPolarHBondContact CE2-OD1 3.41Å; S161-D220 CarbonylContact O-C 3.5Å; S161-D220 WeakPolarHBondContact O-CA 3.2Å; R162-D220 IonicContact CZ-OD1 2.66Å; R162-D220 IonicContact CZ-OD2 2.65Å; R162-D220 IonicContact NE-OD1 3.71Å; R162-D220 PolarHBondContact NE-OD1 3.12Å; R162-D220 IonicContact NE-OD2 3.17Å; R162-D220 VanDerWaalsContact NH2-CG 3.27Å; R162-D220 IonicContact NH2-OD1 3.39Å; R162-D220 PolarHBondContact NH2-OD1 3.03Å; R162-D220 IonicContact NH2-OD2 3.99Å; R162-D220 PolarHBondContact NH2-OD2 2.9Å; D220-Y233 VanDerWaalsContact C-CE1 3.46Å; D220-Y233 VanDerWaalsContact C-CZ 3.49Å; D220-Y233 HydrophobicContact CB-CE1 3.93Å; D220-Y233 PolarHBondContact N-OH 2.75Å; D220-Y233 WeakPolarHBondContact O-CE1 3.48Å; D220-Y233 PolarHBondContact O-OH 3.31Å |
| 221 | R | 85.4 | Confident | 81.2 | Confident | 102 Ų | 102 | 47.3 Ų | 47.3 | 39% | 0.385 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 135 | -173.4 | -73.7 | -178.1 | -173.8 | 157.1 | 15.8 | 111.8 | F160 S161 E219 L223 Y233 | F160-R221 CarbonylContact C-O 3.35Å; F160-R221 WeakPolarHBondContact CA-O 3.33Å; F160-R221 WeakPolarHBondContact CD2-O 3.41Å; S161-R221 PolarHBondContact N-O 3.38Å; S161-R221 PolarHBondContact O-N 3.32Å; E219-R221 HydrophobicContact CG-CG 3.91Å; E219-R221 IonicContact OE1-CZ 2.73Å; E219-R221 IonicContact OE1-NE 2.63Å; E219-R221 PolarHBondContact OE1-NE 2.91Å; E219-R221 IonicContact OE1-NH2 3.82Å; E219-R221 PolarHBondContact OE1-NH2 3Å; E219-R221 IonicContact OE2-CZ 2.78Å; E219-R221 IonicContact OE2-NE 2.92Å; E219-R221 PolarHBondContact OE2-NE 3.37Å; E219-R221 IonicContact OE2-NH1 3.2Å; E219-R221 IonicContact OE2-NH2 3.5Å; E219-R221 PolarHBondContact OE2-NH2 3.19Å; R221-L223 HydrophobicContact CB-CD2 3.95Å; R221-L223 HydrophobicContact CB-CG 4.26Å; R221-L223 HydrophobicContact CG-CD2 4.47Å; R221-Y233 WeakPolarHBondContact CA-OH 3.32Å; R221-Y233 HydrophobicContact CG-CE2 4.47Å; R221-Y233 WeakPolarHBondContact CG-OH 3.36Å; R221-Y233 PolarHBondContact N-OH 3.49Å |
| 222 | L | 87.7 | Confident | 79.3 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 114.7 | 158.9 | -162.5 | 76.1 | 0 | 0 | 0 | 108.2 | I132 F158 L159 F160 L175 A230 A231 | I132-L222 HydrophobicContact CD1-CD2 3.77Å; I132-L222 HydrophobicContact CG1-CD2 4.09Å; I132-L222 HydrophobicContact CG2-CD2 3.75Å; F158-L222 HydrophobicContact CB-CD1 4.16Å; F158-L222 HydrophobicContact CB-CG 4.3Å; F158-L222 HydrophobicContact CD1-CD1 4.35Å; F158-L222 HydrophobicContact CD1-CD2 3.44Å; F158-L222 VanDerWaalsContact CD1-CD2 3.44Å; F158-L222 HydrophobicContact CD1-CG 3.58Å; F158-L222 HydrophobicContact CE1-CD2 3.73Å; F158-L222 HydrophobicContact CE1-CG 4.27Å; F158-L222 HydrophobicContact CG-CD2 4.16Å; F158-L222 HydrophobicContact CG-CG 4.31Å; L159-L222 CarbonylContact O-C 3.56Å; L159-L222 WeakPolarHBondContact O-CA 3.32Å; F160-L222 HydrophobicContact CB-CD1 4.49Å; L175-L222 HydrophobicContact CD1-CD1 3.72Å; L175-L222 HydrophobicContact CG-CD1 4.37Å; L222-A230 PolarHBondContact O-N 3.49Å; L222-A231 HydrophobicContact CB-CB 3.63Å; L222-A231 HydrophobicContact CD2-CB 4.16Å |
| 223 | L | 84.5 | Confident | 77.4 | Confident | 24 Ų | 24 | 53.5 Ų | 53.5 | 13% | 0.126 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 143.1 | -178.1 | -49.9 | 174.2 | 0 | 0 | 0 | 109.3 | F158 L159 R221 N228 | F158-L223 CarbonylContact C-O 3.59Å; F158-L223 WeakPolarHBondContact CA-O 3.48Å; F158-L223 WeakPolarHBondContact CD1-O 3.44Å; L159-L223 HydrophobicContact CB-CB 4.21Å; L159-L223 PolarHBondContact N-O 3.34Å; L159-L223 PolarHBondContact O-N 2.91Å; R221-L223 HydrophobicContact CB-CD2 3.95Å; R221-L223 HydrophobicContact CB-CG 4.26Å; R221-L223 HydrophobicContact CG-CD2 4.47Å; L223-N228 CarbonylContact C-O 3.57Å; L223-N228 VanDerWaalsContact CA-O 3.23Å; L223-N228 WeakPolarHBondContact CA-O 3.46Å |
| 224 | D | 78.7 | Confident | 74.9 | Confident | 18 Ų | 18 | 59.2 Ų | 59.2 | 10% | 0.096 | 32% | 0.315 | C | S | . | . | trans | -75.1 | 179.4 | 167.1 | 61.1 | 22.8 | 0 | 0 | 0 | 111.7 | W128 E226 G227 N228 A230 | W128-D224 HydrophobicContact CD2-CB 4.29Å; W128-D224 HydrophobicContact CE3-CB 3.75Å; W128-D224 HydrophobicContact CZ3-CB 4.05Å; D224-E226 PolarHBondContact O-N 3.32Å; D224-E226 VanDerWaalsContact O-N 3.14Å; D224-E226 VanDerWaalsContact OD1-C 3.31Å; D224-E226 VanDerWaalsContact OD1-CA 3.32Å; D224-E226 WeakPolarHBondContact OD1-CA 3.42Å; D224-E226 WeakPolarHBondContact OD1-CB 3.07Å; D224-E226 PolarHBondContact OD1-N 3.1Å; D224-G227 PolarHBondContact O-N 3.36Å; D224-G227 PolarHBondContact OD1-N 3.25Å; D224-N228 PolarHBondContact N-O 3.24Å; D224-N228 PolarHBondContact OD1-N 2.98Å; D224-N228 PolarHBondContact OD1-ND2 3.05Å; D224-N228 WeakPolarHBondContact OD2-CB 3.14Å; D224-N228 PolarHBondContact OD2-ND2 3.4Å; D224-A230 HydrophobicContact CB-CB 4.05Å | ||
| 225 | A | 66.5 | Low | 72.4 | Confident | 29 Ų | 29 | 62.5 Ų | 62.5 | 24% | 0.24 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -30.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | R41 W128 D157 G227 | R41-A225 PolarHBondContact NH2-O 3.38Å; W128-A225 HydrophobicContact CH2-CB 3.81Å; W128-A225 HydrophobicContact CZ2-CB 3.72Å; D157-A225 HydrophobicContact CB-CB 3.71Å; A225-G227 VanDerWaalsContact C-N 3.32Å |
| 226 | E | 67.8 | Low | 69.8 | Low | 64 Ų | 64 | 63.6 Ų | 63.6 | 30% | 0.299 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -6.2 | 179.5 | -65.4 | 72.5 | -144.1 | 0 | 0 | 113.7 | D224 N228 | D224-E226 PolarHBondContact O-N 3.32Å; D224-E226 VanDerWaalsContact O-N 3.14Å; D224-E226 VanDerWaalsContact OD1-C 3.31Å; D224-E226 VanDerWaalsContact OD1-CA 3.32Å; D224-E226 WeakPolarHBondContact OD1-CA 3.42Å; D224-E226 WeakPolarHBondContact OD1-CB 3.07Å; D224-E226 PolarHBondContact OD1-N 3.1Å; E226-N228 VanDerWaalsContact C-N 3.34Å; E226-N228 VanDerWaalsContact CB-ND2 3.29Å; E226-N228 WeakPolarHBondContact CB-ND2 3.23Å |
| 227 | G | 70.1 | Confident | 66.9 | Low | 34 Ų | 34 | 62.2 Ų | 62.2 | 35% | 0.351 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 80.1 | 11.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | D224 A225 | D224-G227 PolarHBondContact O-N 3.36Å; D224-G227 PolarHBondContact OD1-N 3.25Å; A225-G227 VanDerWaalsContact C-N 3.32Å |
| 228 | N | 74 | Confident | 64.5 | Low | 56 Ų | 56 | 66.1 Ų | 66.1 | 30% | 0.299 | 34% | 0.341 | S | S | . | . | trans | -82.4 | 145.1 | 172.8 | -38.3 | -72.6 | 0 | 0 | 0 | 109.7 | R37 L223 D224 E226 A230 | R37-N228 PolarHBondContact NH1-OD1 3.46Å; L223-N228 CarbonylContact C-O 3.57Å; L223-N228 VanDerWaalsContact CA-O 3.23Å; L223-N228 WeakPolarHBondContact CA-O 3.46Å; D224-N228 PolarHBondContact N-O 3.24Å; D224-N228 PolarHBondContact OD1-N 2.98Å; D224-N228 PolarHBondContact OD1-ND2 3.05Å; D224-N228 WeakPolarHBondContact OD2-CB 3.14Å; D224-N228 PolarHBondContact OD2-ND2 3.4Å; E226-N228 VanDerWaalsContact C-N 3.34Å; E226-N228 VanDerWaalsContact CB-ND2 3.29Å; E226-N228 WeakPolarHBondContact CB-ND2 3.23Å; N228-A230 PolarHBondContact O-N 2.92Å; N228-A230 VanDerWaalsContact O-N 3.15Å | ||
| 229 | E | 72.5 | Confident | 61.7 | Low | 101 Ų | 101 | 70.9 Ų | 70.9 | 47% | 0.472 | 36% | 0.358 | S | S | . | . | B | Isolated β-bridge | trans | -63.6 | 117 | 172.4 | -169.2 | -175.6 | 134.9 | 0 | 0 | 110 | Y233 | E229-Y233 VanDerWaalsContact CD-CE2 3.4Å; E229-Y233 HydrophobicContact CG-CE2 4.13Å; E229-Y233 WeakPolarHBondContact OE1-CD2 3.37Å; E229-Y233 WeakPolarHBondContact OE1-CE2 3.32Å |
| 230 | A | 70.1 | Confident | 59 | Low | 14 Ų | 14 | 73.5 Ų | 73.5 | 12% | 0.116 | 39% | 0.387 | C | S | . | . | trans | -108.7 | -18.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F158 L222 D224 N228 | F158-A230 HydrophobicContact CD1-CB 4.16Å; F158-A230 HydrophobicContact CE1-CB 3.43Å; F158-A230 VanDerWaalsContact CE1-CB 3.43Å; F158-A230 HydrophobicContact CZ-CB 4.31Å; L222-A230 PolarHBondContact O-N 3.49Å; D224-A230 HydrophobicContact CB-CB 4.05Å; N228-A230 PolarHBondContact O-N 2.92Å; N228-A230 VanDerWaalsContact O-N 3.15Å | ||
| 231 | A | 64 | Low | 56.3 | Low | 4 Ų | 4 | 84.8 Ų | 84.8 | 3% | 0.033 | 45% | 0.446 | C | S | . | . | S | Bend | trans | -94.1 | 128 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I132 I134 L222 Y233 | I132-A231 HydrophobicContact CG2-CB 4.2Å; I132-A231 WeakPolarHBondContact O-CA 3.27Å; I134-A231 HydrophobicContact CG1-CB 4.5Å; L222-A231 HydrophobicContact CB-CB 3.63Å; L222-A231 HydrophobicContact CD2-CB 4.16Å; A231-Y233 PolarHBondContact O-N 3.06Å |
| 232 | N | 55.8 | Low | 54.8 | Low | 110 Ų | 110 | 84 Ų | 84 | 59% | 0.588 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -72.1 | 116.2 | 165.6 | -68.6 | -68.9 | 0 | 0 | 0 | 108.3 | I132 S133 L234 | I132-N232 PolarHBondContact O-N 2.96Å; S133-N232 WeakPolarHBondContact CB-O 3.45Å; N232-L234 PolarHBondContact O-N 3.18Å |
| 233 | Y | 51.7 | Low | 53.1 | Low | 66 Ų | 66 | 88.4 Ų | 88.4 | 26% | 0.259 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 121.3 | 168.5 | -69.6 | -86 | 0 | 0 | 0 | 110.6 | E219 D220 R221 E229 A231 F235 | E219-Y233 VanDerWaalsContact CG-OH 3.27Å; E219-Y233 WeakPolarHBondContact CG-OH 3.46Å; D220-Y233 VanDerWaalsContact C-CE1 3.46Å; D220-Y233 VanDerWaalsContact C-CZ 3.49Å; D220-Y233 HydrophobicContact CB-CE1 3.93Å; D220-Y233 PolarHBondContact N-OH 2.75Å; D220-Y233 WeakPolarHBondContact O-CE1 3.48Å; D220-Y233 PolarHBondContact O-OH 3.31Å; R221-Y233 WeakPolarHBondContact CA-OH 3.32Å; R221-Y233 HydrophobicContact CG-CE2 4.47Å; R221-Y233 WeakPolarHBondContact CG-OH 3.36Å; R221-Y233 PolarHBondContact N-OH 3.49Å; E229-Y233 VanDerWaalsContact CD-CE2 3.4Å; E229-Y233 HydrophobicContact CG-CE2 4.13Å; E229-Y233 WeakPolarHBondContact OE1-CD2 3.37Å; E229-Y233 WeakPolarHBondContact OE1-CE2 3.32Å; A231-Y233 PolarHBondContact O-N 3.06Å; Y233-F235 PolarHBondContact O-N 3.06Å |
| 234 | L | 39.9 | Very low | 51.3 | Low | 128 Ų | 128 | 91.9 Ų | 91.9 | 67% | 0.67 | 49% | 0.492 | S | S | * | . | trans | -74.9 | 114.5 | 141.9 | -106 | 88 | 0 | 0 | 0 | 105.8 | N232 C236 | N232-L234 PolarHBondContact O-N 3.18Å; L234-C236 VanDerWaalsContact C-N 3.26Å; L234-C236 PolarHBondContact O-N 2.96Å | ||
| 235 | F | 34.3 | Very low | 49.7 | Very low | 190 Ų | 190 | 96.3 Ų | 96.3 | 83% | 0.833 | 52% | 0.516 | S | S | * | . | trans | -53.6 | 92.9 | 166.9 | -113.7 | -92.3 | 0 | 0 | 0 | 108.7 | Y233 V237 | Y233-F235 PolarHBondContact O-N 3.06Å; F235-V237 VanDerWaalsContact C-N 3.33Å; F235-V237 HydrophobicContact CD1-CG2 4.35Å; F235-V237 PolarHBondContact O-N 3.17Å; F235-V237 VanDerWaalsContact O-N 3.12Å | ||
| 236 | C | 31.7 | Very low | 48.7 | Very low | 56 Ų | 56 | 100.5 Ų | 100.5 | 38% | 0.378 | 53% | 0.533 | S | S | . | . | trans | -80.6 | 89.7 | 167 | -71.3 | 0 | 0 | 0 | 0 | 106.9 | L234 F238 | L234-C236 VanDerWaalsContact C-N 3.26Å; L234-C236 PolarHBondContact O-N 2.96Å; C236-F238 HydrophobicContact CB-CD2 3.77Å; C236-F238 HydrophobicContact CB-CE1 4.38Å; C236-F238 HydrophobicContact CB-CE2 3.21Å; C236-F238 HydrophobicContact CB-CZ 3.57Å; C236-F238 VanDerWaalsContact O-CD2 3.32Å; C236-F238 WeakPolarHBondContact O-CD2 3.32Å; C236-F238 PolarHBondContact O-N 2.98Å | ||
| 237 | V | 28 | Very low | 47.4 | Very low | 121 Ų | 121 | 102.9 Ų | 102.9 | 73% | 0.733 | 55% | 0.549 | S | S | * | . | trans | -66.5 | 87.9 | 162.2 | -177.8 | 0 | 0 | 0 | 0 | 106.6 | F235 K239 | F235-V237 VanDerWaalsContact C-N 3.33Å; F235-V237 HydrophobicContact CD1-CG2 4.35Å; F235-V237 PolarHBondContact O-N 3.17Å; F235-V237 VanDerWaalsContact O-N 3.12Å; V237-K239 PolarHBondContact O-N 3.03Å; V237-K239 VanDerWaalsContact O-N 3.13Å | ||
| 238 | F | 34.9 | Very low | 45.8 | Very low | 126 Ų | 126 | 107.9 Ų | 107.9 | 55% | 0.553 | 56% | 0.563 | S | S | * | * | trans | -70.9 | 107.1 | 167.9 | -66.3 | -78.6 | 0 | 0 | 0 | 107.3 | S137 C236 A240 | S137-F238 WeakPolarHBondContact O-CZ 3.2Å; C236-F238 HydrophobicContact CB-CD2 3.77Å; C236-F238 HydrophobicContact CB-CE1 4.38Å; C236-F238 HydrophobicContact CB-CE2 3.21Å; C236-F238 HydrophobicContact CB-CZ 3.57Å; C236-F238 VanDerWaalsContact O-CD2 3.32Å; C236-F238 WeakPolarHBondContact O-CD2 3.32Å; C236-F238 PolarHBondContact O-N 2.98Å; F238-A240 PolarHBondContact O-N 3.36Å | ||
| 239 | K | 25.4 | Very low | 43.6 | Very low | 194 Ų | 194 | 111.8 Ų | 111.8 | 84% | 0.843 | 58% | 0.583 | S | S | * | * | trans | -59.4 | 120.9 | 153.5 | -95.3 | -178 | 172.1 | 179.9 | 0 | 106 | V237 L241 | V237-K239 PolarHBondContact O-N 3.03Å; V237-K239 VanDerWaalsContact O-N 3.13Å; K239-L241 PolarHBondContact O-N 2.78Å | ||
| 240 | A | 27.1 | Very low | 41.2 | Very low | 99 Ų | 99 | 112.8 Ų | 112.8 | 82% | 0.818 | 59% | 0.592 | S | S | * | * | trans | -50.7 | 123.1 | 162.4 | 0 | 0 | 0 | 0 | 0 | 108 | F238 | F238-A240 PolarHBondContact O-N 3.36Š| ||
| 241 | L | 31.7 | Very low | 38.6 | Very low | 245 Ų | 245 | 121.7 Ų | 121.7 | 100% | 1.283 | 64% | 0.636 | S | S | * | * | trans | -88.7 | 0 | 153 | -80.8 | 169.7 | 0 | 0 | 0 | 107.1 | K239 | K239-L241 PolarHBondContact O-N 2.78Š|
Retrieved 241 of 241 residues in 285.1 ms
(Link to these results)