| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 56.3 | Low | 68.9 | Low | 227 Ų | 227 | 147.2 Ų | 147.2 | 100% | 1.118 | 66% | 0.658 | S | S | * | * | 0 | -20.5 | 0 | -77.9 | 172 | 174.5 | 0 | 0 | 115.4 | R3 | M1-R3 PolarHBondContact O-N 2.92Š| |||
| 2 | L | 58.3 | Low | 69.5 | Low | 136 Ų | 136 | 137 Ų | 137 | 71% | 0.712 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -69.2 | -26 | -178.7 | -104.2 | 85.6 | 0 | 0 | 0 | 116.7 | H4 R5 R6 | L2-H4 PolarHBondContact O-N 3.47Å; L2-R5 PolarHBondContact O-N 2.91Å; L2-R6 PolarHBondContact O-N 3.02Å |
| 3 | R | 57.9 | Low | 70.4 | Confident | 221 Ų | 221 | 134.8 Ų | 134.8 | 83% | 0.834 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -68 | -33.3 | -171.6 | -67.3 | -170 | -169.8 | -159.6 | 3.4 | 113.9 | M1 | M1-R3 PolarHBondContact O-N 2.92Å |
| 4 | H | 55.8 | Low | 71.3 | Confident | 146 Ų | 146 | 135.3 Ų | 135.3 | 68% | 0.676 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -68.9 | -42.1 | 178.3 | -72.9 | 78.1 | 0 | 0 | 0 | 110.7 | L2 R6 K7 D8 | L2-H4 PolarHBondContact O-N 3.47Å; H4-R6 VanDerWaalsContact C-N 3.26Å; H4-R6 PolarHBondContact O-N 3.13Å; H4-K7 PolarHBondContact O-N 2.99Å; H4-K7 VanDerWaalsContact O-N 3.12Å; H4-D8 PolarHBondContact O-N 3.5Å; H4-D8 VanDerWaalsContact O-N 3.14Å |
| 5 | R | 65.5 | Low | 71.6 | Confident | 189 Ų | 189 | 133.1 Ų | 133.1 | 71% | 0.713 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -58.6 | -34.3 | 178.7 | -130.8 | -176.6 | -173.5 | 176.8 | 2.2 | 113.5 | L2 I9 | L2-R5 PolarHBondContact O-N 2.91Å; R5-I9 WeakPolarHBondContact O-CD1 3.43Å; R5-I9 VanDerWaalsContact O-CG1 3.24Å; R5-I9 WeakPolarHBondContact O-CG1 3.26Å; R5-I9 PolarHBondContact O-N 3.33Å; R5-I9 VanDerWaalsContact O-N 3.15Å |
| 6 | R | 74.1 | Confident | 72 | Confident | 182 Ų | 182 | 128.9 Ų | 128.9 | 69% | 0.687 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -66.2 | -44.7 | 176.6 | -83.9 | -175.2 | 164.7 | 150.7 | -2.7 | 112.6 | L2 H4 D8 I9 E10 | L2-R6 PolarHBondContact O-N 3.02Å; H4-R6 VanDerWaalsContact C-N 3.26Å; H4-R6 PolarHBondContact O-N 3.13Å; R6-D8 VanDerWaalsContact C-N 3.31Å; R6-D8 PolarHBondContact O-N 3.19Å; R6-I9 PolarHBondContact O-N 2.72Å; R6-E10 PolarHBondContact O-N 2.82Å |
| 7 | K | 77.2 | Confident | 72.6 | Confident | 143 Ų | 143 | 131.1 Ų | 131.1 | 62% | 0.622 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -62.7 | -40.5 | 176.8 | -77.1 | -174.1 | 174.4 | -176.2 | 0 | 111.5 | H4 I9 E10 I11 | H4-K7 PolarHBondContact O-N 2.99Å; H4-K7 VanDerWaalsContact O-N 3.12Å; K7-I9 VanDerWaalsContact C-N 3.31Å; K7-I9 PolarHBondContact O-N 3.18Å; K7-E10 PolarHBondContact O-N 3.46Å; K7-I11 VanDerWaalsContact O-CG1 3.29Å; K7-I11 WeakPolarHBondContact O-CG1 3.47Å; K7-I11 PolarHBondContact O-N 3.39Å |
| 8 | D | 71.4 | Confident | 73 | Confident | 74 Ų | 74 | 130.8 Ų | 130.8 | 40% | 0.396 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -62.1 | -41.1 | 177.8 | -59.8 | -30.7 | 0 | 0 | 0 | 111.4 | H4 R6 I11 L12 | H4-D8 PolarHBondContact O-N 3.5Å; H4-D8 VanDerWaalsContact O-N 3.14Å; R6-D8 VanDerWaalsContact C-N 3.31Å; R6-D8 PolarHBondContact O-N 3.19Å; D8-I11 PolarHBondContact O-N 3.43Å; D8-L12 VanDerWaalsContact O-CB 3.29Å; D8-L12 WeakPolarHBondContact O-CB 3.49Å; D8-L12 PolarHBondContact O-N 3.15Å |
| 9 | I | 77.6 | Confident | 73.1 | Confident | 98 Ų | 98 | 128.7 Ų | 128.7 | 50% | 0.503 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -65 | -44.6 | 176.3 | -67.7 | 164.6 | 0 | 0 | 0 | 111.3 | R5 R6 K7 I11 L12 E13 | R5-I9 WeakPolarHBondContact O-CD1 3.43Å; R5-I9 VanDerWaalsContact O-CG1 3.24Å; R5-I9 WeakPolarHBondContact O-CG1 3.26Å; R5-I9 PolarHBondContact O-N 3.33Å; R5-I9 VanDerWaalsContact O-N 3.15Å; R6-I9 PolarHBondContact O-N 2.72Å; K7-I9 VanDerWaalsContact C-N 3.31Å; K7-I9 PolarHBondContact O-N 3.18Å; I9-I11 PolarHBondContact O-N 3.06Å; I9-L12 WeakPolarHBondContact O-CB 3.2Å; I9-L12 PolarHBondContact O-N 3.3Å; I9-L12 VanDerWaalsContact O-N 3.14Å; I9-E13 PolarHBondContact O-N 2.98Å |
| 10 | E | 83.2 | Confident | 73.3 | Confident | 138 Ų | 138 | 129.5 Ų | 129.5 | 65% | 0.645 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -60.5 | -44.3 | 176.8 | -79.1 | 176.5 | -177 | 0 | 0 | 112.2 | R6 K7 L12 E13 K14 | R6-E10 PolarHBondContact O-N 2.82Å; K7-E10 PolarHBondContact O-N 3.46Å; E10-L12 VanDerWaalsContact C-N 3.26Å; E10-L12 PolarHBondContact O-N 2.86Å; E10-E13 PolarHBondContact O-N 3.46Å; E10-K14 WeakPolarHBondContact O-CB 3.41Å; E10-K14 PolarHBondContact O-N 3.39Å |
| 11 | I | 80.7 | Confident | 73.3 | Confident | 65 Ų | 65 | 125.7 Ų | 125.7 | 33% | 0.333 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -59.9 | -42.8 | 175.1 | -68.7 | 167.4 | 0 | 0 | 0 | 109.7 | K7 D8 I9 K14 Y15 I27 | K7-I11 VanDerWaalsContact O-CG1 3.29Å; K7-I11 WeakPolarHBondContact O-CG1 3.47Å; K7-I11 PolarHBondContact O-N 3.39Å; D8-I11 PolarHBondContact O-N 3.43Å; I9-I11 PolarHBondContact O-N 3.06Å; I11-K14 PolarHBondContact O-N 3.44Å; I11-Y15 HydrophobicContact CG2-CD2 3.82Å; I11-Y15 HydrophobicContact CG2-CE2 4.11Å; I11-Y15 WeakPolarHBondContact O-CB 3.42Å; I11-Y15 WeakPolarHBondContact O-CD2 3.24Å; I11-Y15 PolarHBondContact O-N 3.36Å; I11-I27 HydrophobicContact CG2-CD1 4.29Å |
| 12 | L | 75.8 | Confident | 73.9 | Confident | 25 Ų | 25 | 119.9 Ų | 119.9 | 13% | 0.131 | 55% | 0.554 | C | S | . | * | H | α-helix | trans | -64 | -44.5 | -179.9 | -155.1 | 147.9 | 0 | 0 | 0 | 112.3 | D8 I9 E10 Y15 K16 L24 I27 | D8-L12 VanDerWaalsContact O-CB 3.29Å; D8-L12 WeakPolarHBondContact O-CB 3.49Å; D8-L12 PolarHBondContact O-N 3.15Å; I9-L12 WeakPolarHBondContact O-CB 3.2Å; I9-L12 PolarHBondContact O-N 3.3Å; I9-L12 VanDerWaalsContact O-N 3.14Å; E10-L12 VanDerWaalsContact C-N 3.26Å; E10-L12 PolarHBondContact O-N 2.86Å; L12-Y15 PolarHBondContact O-N 2.71Å; L12-K16 HydrophobicContact CD2-CD 4.17Å; L12-K16 HydrophobicContact CD2-CG 4.36Å; L12-K16 WeakPolarHBondContact O-CG 3.41Å; L12-K16 PolarHBondContact O-N 2.97Å; L12-L24 HydrophobicContact CD2-CD2 4.08Å; L12-L24 HydrophobicContact CG-CD2 4.02Å; L12-I27 VanDerWaalsContact CA-CD1 3.49Å; L12-I27 HydrophobicContact CB-CD1 3.74Å; L12-I27 HydrophobicContact CB-CG1 4.34Å; L12-I27 HydrophobicContact CD1-CB 3.9Å; L12-I27 HydrophobicContact CD1-CD1 4.03Å; L12-I27 HydrophobicContact CD1-CG1 3.68Å; L12-I27 VanDerWaalsContact CD1-N 3.27Å; L12-I27 HydrophobicContact CG-CB 4.47Å; L12-I27 HydrophobicContact CG-CD1 3.63Å; L12-I27 HydrophobicContact CG-CG1 3.75Å |
| 13 | E | 81.3 | Confident | 74.5 | Confident | 109 Ų | 109 | 115.3 Ų | 115.3 | 51% | 0.509 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 174.7 | -71.2 | -150.1 | 165 | 0 | 0 | 112.7 | I9 E10 Y15 K16 K17 | I9-E13 PolarHBondContact O-N 2.98Å; E10-E13 PolarHBondContact O-N 3.46Å; E13-Y15 VanDerWaalsContact C-N 3.34Å; E13-Y15 PolarHBondContact O-N 3.12Å; E13-K16 WeakPolarHBondContact O-CB 3.29Å; E13-K16 PolarHBondContact O-N 3.3Å; E13-K17 WeakPolarHBondContact O-CG 3.37Å; E13-K17 PolarHBondContact O-N 3.02Å |
| 14 | K | 83.1 | Confident | 74.9 | Confident | 141 Ų | 141 | 105 Ų | 105 | 61% | 0.613 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.1 | -43.8 | 176.3 | -172.2 | 176.5 | 179.3 | -179.5 | 0 | 111 | E10 I11 K17 L18 | E10-K14 WeakPolarHBondContact O-CB 3.41Å; E10-K14 PolarHBondContact O-N 3.39Å; I11-K14 PolarHBondContact O-N 3.44Å; K14-K17 PolarHBondContact O-N 3.28Å; K14-L18 HydrophobicContact CG-CD1 3.93Å; K14-L18 HydrophobicContact CG-CG 4.49Å; K14-L18 WeakPolarHBondContact O-CB 3.41Å; K14-L18 WeakPolarHBondContact O-CG 3.39Å; K14-L18 PolarHBondContact O-N 3.46Å |
| 15 | Y | 75.2 | Confident | 75.6 | Confident | 102 Ų | 102 | 105.5 Ų | 105.5 | 40% | 0.4 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.1 | -42.1 | 176.1 | -101.7 | -86.8 | 0 | 0 | 0 | 112.6 | I11 L12 E13 K17 L18 N19 I27 | I11-Y15 HydrophobicContact CG2-CD2 3.82Å; I11-Y15 HydrophobicContact CG2-CE2 4.11Å; I11-Y15 WeakPolarHBondContact O-CB 3.42Å; I11-Y15 WeakPolarHBondContact O-CD2 3.24Å; I11-Y15 PolarHBondContact O-N 3.36Å; L12-Y15 PolarHBondContact O-N 2.71Å; E13-Y15 VanDerWaalsContact C-N 3.34Å; E13-Y15 PolarHBondContact O-N 3.12Å; Y15-K17 VanDerWaalsContact C-N 3.34Å; Y15-K17 PolarHBondContact O-N 3.19Å; Y15-L18 PolarHBondContact O-N 3.15Å; Y15-N19 PolarHBondContact O-N 3.14Å; Y15-N19 VanDerWaalsContact O-N 3.1Å; Y15-N19 PolarHBondContact O-ND2 3.14Å; Y15-I27 HydrophobicContact CD2-CD1 4.44Å; Y15-I27 HydrophobicContact CG-CD1 4.49Å |
| 16 | K | 78.2 | Confident | 75.8 | Confident | 66 Ų | 66 | 101.8 Ų | 101.8 | 29% | 0.287 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -56 | -48.5 | 174.6 | -77.9 | -177.7 | 170.1 | -178.4 | 0 | 111.7 | L12 E13 N20 I21 L24 | L12-K16 HydrophobicContact CD2-CD 4.17Å; L12-K16 HydrophobicContact CD2-CG 4.36Å; L12-K16 WeakPolarHBondContact O-CG 3.41Å; L12-K16 PolarHBondContact O-N 2.97Å; E13-K16 WeakPolarHBondContact O-CB 3.29Å; E13-K16 PolarHBondContact O-N 3.3Å; K16-N20 WeakPolarHBondContact O-CA 3.29Å; K16-N20 PolarHBondContact O-N 3.43Å; K16-I21 WeakPolarHBondContact CG-O 3.46Å; K16-I21 PolarHBondContact O-N 2.88Å; K16-I21 VanDerWaalsContact O-N 3.08Å; K16-L24 HydrophobicContact CD-CB 4.42Å; K16-L24 WeakPolarHBondContact CE-O 3.42Å; K16-L24 HydrophobicContact CG-CB 3.76Å; K16-L24 HydrophobicContact CG-CD2 4.09Å; K16-L24 PolarHBondContact NZ-O 3.34Å |
| 17 | K | 81.9 | Confident | 75.5 | Confident | 166 Ų | 166 | 94.3 Ų | 94.3 | 72% | 0.722 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -66.1 | -46.1 | -179.3 | -73.1 | 179.8 | -178.9 | 175.5 | 0 | 111.8 | E13 K14 Y15 N19 | E13-K17 WeakPolarHBondContact O-CG 3.37Å; E13-K17 PolarHBondContact O-N 3.02Å; K14-K17 PolarHBondContact O-N 3.28Å; Y15-K17 VanDerWaalsContact C-N 3.34Å; Y15-K17 PolarHBondContact O-N 3.19Å; K17-N19 VanDerWaalsContact C-N 3.33Å; K17-N19 PolarHBondContact O-N 3.48Å |
| 18 | L | 81.3 | Confident | 75.3 | Confident | 126 Ų | 126 | 91.7 Ų | 91.7 | 66% | 0.66 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -64.1 | -35.4 | -177.8 | -77.1 | 169.8 | 0 | 0 | 0 | 113.4 | K14 Y15 | K14-L18 HydrophobicContact CG-CD1 3.93Å; K14-L18 HydrophobicContact CG-CG 4.49Å; K14-L18 WeakPolarHBondContact O-CB 3.41Å; K14-L18 WeakPolarHBondContact O-CG 3.39Å; K14-L18 PolarHBondContact O-N 3.46Å; Y15-L18 PolarHBondContact O-N 3.15Å |
| 19 | N | 74.8 | Confident | 75.5 | Confident | 92 Ų | 92 | 92 Ų | 92 | 49% | 0.492 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -104.3 | 2.6 | -174.9 | -61.3 | -84.8 | 0 | 0 | 0 | 113.2 | Y15 K17 I21 | Y15-N19 PolarHBondContact O-N 3.14Å; Y15-N19 VanDerWaalsContact O-N 3.1Å; Y15-N19 PolarHBondContact O-ND2 3.14Å; K17-N19 VanDerWaalsContact C-N 3.33Å; K17-N19 PolarHBondContact O-N 3.48Å; N19-I21 VanDerWaalsContact C-N 3.29Å; N19-I21 HydrophobicContact CB-CD1 3.71Å; N19-I21 HydrophobicContact CB-CG1 3.72Å; N19-I21 VanDerWaalsContact O-CG1 3.27Å; N19-I21 WeakPolarHBondContact O-CG1 2.68Å; N19-I21 PolarHBondContact O-N 3.14Å |
| 20 | N | 77.1 | Confident | 75.7 | Confident | 144 Ų | 144 | 88.1 Ų | 88.1 | 77% | 0.77 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 45.4 | -173.3 | -163.3 | 26.6 | 0 | 0 | 0 | 113.6 | K16 P22 | K16-N20 WeakPolarHBondContact O-CA 3.29Å; K16-N20 PolarHBondContact O-N 3.43Å; N20-P22 VanDerWaalsContact C-CD 3.5Å; N20-P22 WeakPolarHBondContact O-CD 3.34Å |
| 21 | I | 71.6 | Confident | 75.6 | Confident | 50 Ų | 50 | 85.5 Ų | 85.5 | 26% | 0.256 | 43% | 0.427 | S | S | . | . | trans | -114.3 | 81 | -178 | -49.2 | 179.5 | 0 | 0 | 0 | 109.9 | K16 N19 S23 L24 L50 | K16-I21 WeakPolarHBondContact CG-O 3.46Å; K16-I21 PolarHBondContact O-N 2.88Å; K16-I21 VanDerWaalsContact O-N 3.08Å; N19-I21 VanDerWaalsContact C-N 3.29Å; N19-I21 HydrophobicContact CB-CD1 3.71Å; N19-I21 HydrophobicContact CB-CG1 3.72Å; N19-I21 VanDerWaalsContact O-CG1 3.27Å; N19-I21 WeakPolarHBondContact O-CG1 2.68Å; N19-I21 PolarHBondContact O-N 3.14Å; I21-S23 PolarHBondContact O-N 3.47Å; I21-L24 HydrophobicContact CG2-CB 4.32Å; I21-L24 HydrophobicContact CG2-CD1 4.43Å; I21-L24 PolarHBondContact O-N 3.42Å; I21-L50 HydrophobicContact CB-CD2 4.36Å; I21-L50 HydrophobicContact CD1-CD2 4.04Å; I21-L50 HydrophobicContact CG2-CD2 3.12Å | ||
| 22 | P | 70.4 | Confident | 75.6 | Confident | 104 Ų | 104 | 85.6 Ų | 85.6 | 68% | 0.675 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -26.3 | -178.7 | 23.2 | -32.2 | 0 | 0 | 0 | 112.9 | N20 L24 | N20-P22 VanDerWaalsContact C-CD 3.5Å; N20-P22 WeakPolarHBondContact O-CD 3.34Å; P22-L24 VanDerWaalsContact C-N 3.3Å; P22-L24 PolarHBondContact O-N 2.97Å |
| 23 | S | 69.4 | Low | 75.8 | Confident | 40 Ų | 40 | 94.6 Ų | 94.6 | 28% | 0.28 | 47% | 0.466 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 3.2 | -175 | 67.3 | 0 | 0 | 0 | 0 | 115.8 | I21 K25 S51 | I21-S23 PolarHBondContact O-N 3.47Å; S23-K25 PolarHBondContact O-N 2.88Å; S23-K25 VanDerWaalsContact O-N 3.13Å; S23-S51 WeakPolarHBondContact CB-O 3.47Å; S23-S51 PolarHBondContact O-N 3.08Å; S23-S51 PolarHBondContact O-OG 3.04Å; S23-S51 PolarHBondContact OG-O 3.36Å |
| 24 | L | 68.3 | Low | 75.8 | Confident | 4 Ų | 4 | 91.8 Ų | 91.8 | 2% | 0.021 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 111.5 | 175.2 | -156.2 | 81.9 | 0 | 0 | 0 | 109.8 | L12 K16 I21 P22 I27 T48 L50 | L12-L24 HydrophobicContact CD2-CD2 4.08Å; L12-L24 HydrophobicContact CG-CD2 4.02Å; K16-L24 HydrophobicContact CD-CB 4.42Å; K16-L24 WeakPolarHBondContact CE-O 3.42Å; K16-L24 HydrophobicContact CG-CB 3.76Å; K16-L24 HydrophobicContact CG-CD2 4.09Å; K16-L24 PolarHBondContact NZ-O 3.34Å; I21-L24 HydrophobicContact CG2-CB 4.32Å; I21-L24 HydrophobicContact CG2-CD1 4.43Å; I21-L24 PolarHBondContact O-N 3.42Å; P22-L24 VanDerWaalsContact C-N 3.3Å; P22-L24 PolarHBondContact O-N 2.97Å; L24-I27 HydrophobicContact CD2-CD1 4.17Å; L24-I27 HydrophobicContact CD2-CG1 4.1Å; L24-T48 HydrophobicContact CD1-CG2 3.6Å; L24-T48 HydrophobicContact CD2-CG2 4.13Å; L24-T48 HydrophobicContact CG-CG2 4.23Å; L24-L50 HydrophobicContact CD1-CD2 3.66Å; L24-L50 HydrophobicContact CD1-CG 4.35Å |
| 25 | K | 68.9 | Low | 75.9 | Confident | 158 Ų | 158 | 90.8 Ų | 90.8 | 69% | 0.687 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.9 | -32.7 | -178.7 | -74.6 | -173.8 | 179.5 | 178.8 | 0 | 113.2 | S23 H49 S51 | S23-K25 PolarHBondContact O-N 2.88Å; S23-K25 VanDerWaalsContact O-N 3.13Å; K25-H49 PolarHBondContact N-O 3.48Å; K25-S51 WeakPolarHBondContact CE-OG 3.39Å |
| 26 | Q | 69.8 | Low | 76.2 | Confident | 110 Ų | 110 | 92.3 Ų | 92.3 | 51% | 0.514 | 48% | 0.482 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 138.2 | -171.6 | -163.8 | 170.6 | -6.8 | 0 | 0 | 111.2 | I28 H49 | Q26-I28 HydrophobicContact CG-CG1 3.99Å; Q26-H49 PolarHBondContact O-N 3.32Å; Q26-H49 VanDerWaalsContact O-N 3.14Å |
| 27 | I | 68.9 | Low | 76.4 | Confident | 25 Ų | 25 | 90.8 Ų | 90.8 | 13% | 0.128 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 125.2 | 165.5 | -67.9 | 172.4 | 0 | 0 | 0 | 106.4 | I11 L12 Y15 L24 F29 P46 T48 | I11-I27 HydrophobicContact CG2-CD1 4.29Å; L12-I27 VanDerWaalsContact CA-CD1 3.49Å; L12-I27 HydrophobicContact CB-CD1 3.74Å; L12-I27 HydrophobicContact CB-CG1 4.34Å; L12-I27 HydrophobicContact CD1-CB 3.9Å; L12-I27 HydrophobicContact CD1-CD1 4.03Å; L12-I27 HydrophobicContact CD1-CG1 3.68Å; L12-I27 VanDerWaalsContact CD1-N 3.27Å; L12-I27 HydrophobicContact CG-CB 4.47Å; L12-I27 HydrophobicContact CG-CD1 3.63Å; L12-I27 HydrophobicContact CG-CG1 3.75Å; Y15-I27 HydrophobicContact CD2-CD1 4.44Å; Y15-I27 HydrophobicContact CG-CD1 4.49Å; L24-I27 HydrophobicContact CD2-CD1 4.17Å; L24-I27 HydrophobicContact CD2-CG1 4.1Å; I27-F29 HydrophobicContact CG2-CD2 4.19Å; I27-F29 HydrophobicContact CG2-CE2 3.8Å; I27-F29 HydrophobicContact CG2-CZ 4.15Å; I27-P46 HydrophobicContact CG2-CB 3.82Å; I27-T48 HydrophobicContact CD1-CG2 4.49Å; I27-T48 HydrophobicContact CG1-CG2 3.75Å |
| 28 | I | 73.5 | Confident | 76.5 | Confident | 88 Ų | 88 | 85.7 Ų | 85.7 | 45% | 0.451 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 128.4 | 173.1 | -56.8 | 175.5 | 0 | 0 | 0 | 105.9 | Q26 I47 | Q26-I28 HydrophobicContact CG-CG1 3.99Å; I28-I47 PolarHBondContact N-O 2.94Å; I28-I47 WeakPolarHBondContact O-CA 3.45Å; I28-I47 WeakPolarHBondContact O-CB 3.39Å; I28-I47 PolarHBondContact O-N 3.11Å |
| 29 | F | 75.1 | Confident | 76.6 | Confident | 82 Ų | 82 | 88.2 Ų | 88.2 | 36% | 0.36 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 136.2 | 171.6 | -70.5 | -91.7 | 0 | 0 | 0 | 109.7 | I27 Y44 P46 | I27-F29 HydrophobicContact CG2-CD2 4.19Å; I27-F29 HydrophobicContact CG2-CE2 3.8Å; I27-F29 HydrophobicContact CG2-CZ 4.15Å; F29-Y44 HydrophobicContact CB-CE1 3.93Å; F29-Y44 HydrophobicContact CB-CE2 4.49Å; F29-Y44 WeakPolarHBondContact CB-OH 3.27Å; F29-Y44 HydrophobicContact CD1-CE1 4.17Å; F29-Y44 HydrophobicContact CG-CE1 4.46Å; F29-P46 HydrophobicContact CD1-CB 4.19Å; F29-P46 HydrophobicContact CE1-CB 3.85Å; F29-P46 HydrophobicContact CE1-CG 4.38Å; F29-P46 HydrophobicContact CZ-CB 4.3Å |
| 30 | G | 81 | Confident | 77.1 | Confident | 16 Ų | 16 | 90.9 Ų | 90.9 | 17% | 0.165 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.5 | 172.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y44 G45 | G30-Y44 VanDerWaalsContact C-CD2 3.48Å; G30-Y44 WeakPolarHBondContact O-CA 3.35Å; G30-Y44 WeakPolarHBondContact O-CD2 3.13Å; G30-G45 PolarHBondContact N-O 3.39Å; G30-G45 PolarHBondContact O-N 3.45Å |
| 31 | T | 80.5 | Confident | 77.4 | Confident | 83 Ų | 83 | 91.3 Ų | 91.3 | 51% | 0.509 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 121.9 | 171.3 | 46.6 | 0 | 0 | 0 | 0 | 110 | W42 L43 Y44 | T31-W42 HydrophobicContact CG2-CB 4.15Å; T31-L43 CarbonylContact C-O 3.57Å; T31-L43 WeakPolarHBondContact CA-O 3.5Å; T31-Y44 HydrophobicContact CG2-CD2 4.16Å |
| 32 | L | 80.9 | Confident | 78 | Confident | 67 Ų | 67 | 96.5 Ų | 96.5 | 35% | 0.351 | 50% | 0.496 | S | S | . | . | trans | -77.3 | 128.7 | 173.7 | -67.2 | 167.9 | 0 | 0 | 0 | 108.9 | T34 N37 L43 I47 | L32-T34 HydrophobicContact CB-CG2 4.03Å; L32-T34 PolarHBondContact O-N 3.38Å; L32-T34 VanDerWaalsContact O-N 3.15Å; L32-N37 PolarHBondContact O-ND2 3.13Å; L32-L43 HydrophobicContact CB-CB 4.48Å; L32-L43 HydrophobicContact CD1-CD2 3.9Å; L32-L43 PolarHBondContact N-O 3.31Å; L32-I47 HydrophobicContact CD2-CD1 4.31Å; L32-I47 HydrophobicContact CD2-CG1 3.9Å | ||
| 33 | K | 80.8 | Confident | 78.4 | Confident | 214 Ų | 214 | 96.3 Ų | 96.3 | 93% | 0.93 | 49% | 0.489 | S | S | * | . | trans | -74.8 | 103.7 | 174.2 | -170 | 176.8 | -178.8 | -179.8 | 0 | 108.6 | ||||
| 34 | T | 81.1 | Confident | 79 | Confident | 50 Ų | 50 | 102 Ų | 102 | 31% | 0.307 | 51% | 0.505 | S | S | . | . | trans | -126.3 | 155.7 | 178.8 | 77.3 | 0 | 0 | 0 | 0 | 110.6 | L32 N36 N37 L43 | L32-T34 HydrophobicContact CB-CG2 4.03Å; L32-T34 PolarHBondContact O-N 3.38Å; L32-T34 VanDerWaalsContact O-N 3.15Å; T34-N36 PolarHBondContact O-N 3.38Å; T34-N36 PolarHBondContact OG1-N 2.95Å; T34-N37 PolarHBondContact N-ND2 2.93Å; T34-N37 WeakPolarHBondContact O-CB 3.35Å; T34-N37 PolarHBondContact O-N 3.35Å; T34-N37 VanDerWaalsContact O-N 3.13Å; T34-N37 PolarHBondContact OG1-N 3.33Å; T34-N37 PolarHBondContact OG1-OD1 3.39Å; T34-L43 HydrophobicContact CG2-CB 4.44Å; T34-L43 HydrophobicContact CG2-CD2 4.2Å | ||
| 35 | S | 84.9 | Confident | 79.5 | Confident | 119 Ų | 119 | 102.2 Ų | 102.2 | 83% | 0.832 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -20.1 | 173.5 | 50.6 | 0 | 0 | 0 | 0 | 113.3 | N37 | S35-N37 VanDerWaalsContact C-N 3.32Š|
| 36 | N | 81.9 | Confident | 79.8 | Confident | 134 Ų | 134 | 97.2 Ų | 97.2 | 72% | 0.717 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.9 | -5.4 | -178.7 | -68.5 | 39 | 0 | 0 | 0 | 112.3 | T34 S38 | T34-N36 PolarHBondContact O-N 3.38Å; T34-N36 PolarHBondContact OG1-N 2.95Å; N36-S38 PolarHBondContact O-N 3.1Å |
| 37 | N | 82.5 | Confident | 80.1 | Confident | 34 Ų | 34 | 95.4 Ų | 95.4 | 18% | 0.182 | 49% | 0.486 | C | S | . | . | trans | -69 | 125 | 174.3 | -68.6 | -7 | 0 | 0 | 0 | 109 | L32 T34 S35 K41 W42 L43 | L32-N37 PolarHBondContact O-ND2 3.13Å; T34-N37 PolarHBondContact N-ND2 2.93Å; T34-N37 WeakPolarHBondContact O-CB 3.35Å; T34-N37 PolarHBondContact O-N 3.35Å; T34-N37 VanDerWaalsContact O-N 3.13Å; T34-N37 PolarHBondContact OG1-N 3.33Å; T34-N37 PolarHBondContact OG1-OD1 3.39Å; S35-N37 VanDerWaalsContact C-N 3.32Å; N37-K41 CarbonylContact C-O 3.56Å; N37-K41 VanDerWaalsContact CA-O 3.26Å; N37-K41 WeakPolarHBondContact CA-O 3.44Å; N37-W42 HydrophobicContact CB-CD2 4.49Å; N37-W42 HydrophobicContact CB-CE3 3.99Å; N37-W42 HydrophobicContact CB-CZ3 4.21Å; N37-L43 PolarHBondContact OD1-N 2.97Å | ||
| 38 | S | 84.1 | Confident | 80.1 | Confident | 59 Ų | 59 | 97.1 Ų | 97.1 | 41% | 0.413 | 50% | 0.497 | S | S | . | . | B | Isolated β-bridge | trans | -122.1 | 171.1 | 173 | 69.8 | 0 | 0 | 0 | 0 | 109.4 | N36 N40 K41 W42 | N36-S38 PolarHBondContact O-N 3.1Å; S38-N40 PolarHBondContact O-N 3.06Å; S38-K41 PolarHBondContact N-O 3.49Å; S38-K41 PolarHBondContact O-N 3.44Å; S38-K41 VanDerWaalsContact O-O 3.07Å; S38-K41 PolarHBondContact OG-N 3.47Å; S38-W42 PolarHBondContact O-NE1 2.96Å |
| 39 | Q | 83.5 | Confident | 79.8 | Confident | 180 Ų | 180 | 99 Ų | 99 | 84% | 0.841 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | -28.7 | -177.2 | -159.5 | 163.3 | -3.4 | 0 | 0 | 113.1 | ||
| 40 | N | 84.6 | Confident | 79.4 | Confident | 148 Ų | 148 | 99.2 Ų | 99.2 | 79% | 0.791 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.6 | 0.7 | -178 | -60.6 | -15.5 | 0 | 0 | 0 | 114.4 | S38 | S38-N40 PolarHBondContact O-N 3.06Š|
| 41 | K | 84.1 | Confident | 78.5 | Confident | 153 Ų | 153 | 99.7 Ų | 99.7 | 67% | 0.665 | 51% | 0.51 | S | S | * | . | B | Isolated β-bridge | trans | -140.3 | 118.2 | -177.8 | -66.1 | -175.7 | -179 | 178.6 | 0 | 110.6 | N37 S38 | N37-K41 CarbonylContact C-O 3.56Å; N37-K41 VanDerWaalsContact CA-O 3.26Å; N37-K41 WeakPolarHBondContact CA-O 3.44Å; S38-K41 PolarHBondContact N-O 3.49Å; S38-K41 PolarHBondContact O-N 3.44Å; S38-K41 VanDerWaalsContact O-O 3.07Å; S38-K41 PolarHBondContact OG-N 3.47Å |
| 42 | W | 83.1 | Confident | 77.4 | Confident | 159 Ų | 159 | 103.9 Ų | 103.9 | 60% | 0.602 | 52% | 0.523 | S | S | * | . | trans | -124.1 | 133.3 | 177.4 | -61.9 | 84.4 | 0 | 0 | 0 | 109.4 | T31 N37 S38 Y44 | T31-W42 HydrophobicContact CG2-CB 4.15Å; N37-W42 HydrophobicContact CB-CD2 4.49Å; N37-W42 HydrophobicContact CB-CE3 3.99Å; N37-W42 HydrophobicContact CB-CZ3 4.21Å; S38-W42 PolarHBondContact O-NE1 2.96Å; W42-Y44 PolarHBondContact O-N 3.36Å | ||
| 43 | L | 80.2 | Confident | 76.1 | Confident | 100 Ų | 100 | 105.5 Ų | 105.5 | 52% | 0.524 | 54% | 0.54 | S | S | . | . | trans | -78.1 | 110.6 | 172 | -153.1 | 80.8 | 0 | 0 | 0 | 108.9 | T31 L32 T34 N37 | T31-L43 CarbonylContact C-O 3.57Å; T31-L43 WeakPolarHBondContact CA-O 3.5Å; L32-L43 HydrophobicContact CB-CB 4.48Å; L32-L43 HydrophobicContact CD1-CD2 3.9Å; L32-L43 PolarHBondContact N-O 3.31Å; T34-L43 HydrophobicContact CG2-CB 4.44Å; T34-L43 HydrophobicContact CG2-CD2 4.2Å; N37-L43 PolarHBondContact OD1-N 2.97Å | ||
| 44 | Y | 81.9 | Confident | 74.7 | Confident | 158 Ų | 158 | 101.1 Ų | 101.1 | 62% | 0.62 | 53% | 0.527 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 131.5 | 176.4 | -174.8 | -95.1 | 0 | 0 | 0 | 109.9 | F29 G30 T31 W42 | F29-Y44 HydrophobicContact CB-CE1 3.93Å; F29-Y44 HydrophobicContact CB-CE2 4.49Å; F29-Y44 WeakPolarHBondContact CB-OH 3.27Å; F29-Y44 HydrophobicContact CD1-CE1 4.17Å; F29-Y44 HydrophobicContact CG-CE1 4.46Å; G30-Y44 VanDerWaalsContact C-CD2 3.48Å; G30-Y44 WeakPolarHBondContact O-CA 3.35Å; G30-Y44 WeakPolarHBondContact O-CD2 3.13Å; T31-Y44 HydrophobicContact CG2-CD2 4.16Å; W42-Y44 PolarHBondContact O-N 3.36Å |
| 45 | G | 78.9 | Confident | 73.1 | Confident | 10 Ų | 10 | 104.5 Ų | 104.5 | 10% | 0.103 | 55% | 0.55 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.7 | 175.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | G30 | G30-G45 PolarHBondContact N-O 3.39Å; G30-G45 PolarHBondContact O-N 3.45Å |
| 46 | P | 75 | Confident | 71 | Confident | 53 Ų | 53 | 103.6 Ų | 103.6 | 34% | 0.344 | 54% | 0.543 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 127.4 | 175.2 | 29.2 | -31.9 | 0 | 0 | 0 | 110.7 | I27 F29 | I27-P46 HydrophobicContact CG2-CB 3.82Å; F29-P46 HydrophobicContact CD1-CB 4.19Å; F29-P46 HydrophobicContact CE1-CB 3.85Å; F29-P46 HydrophobicContact CE1-CG 4.38Å; F29-P46 HydrophobicContact CZ-CB 4.3Å |
| 47 | I | 74.7 | Confident | 69.1 | Low | 72 Ų | 72 | 105.6 Ų | 105.6 | 37% | 0.369 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 119 | 171.2 | -56.2 | 171.2 | 0 | 0 | 0 | 106.8 | I28 L32 | I28-I47 PolarHBondContact N-O 2.94Å; I28-I47 WeakPolarHBondContact O-CA 3.45Å; I28-I47 WeakPolarHBondContact O-CB 3.39Å; I28-I47 PolarHBondContact O-N 3.11Å; L32-I47 HydrophobicContact CD2-CD1 4.31Å; L32-I47 HydrophobicContact CD2-CG1 3.9Å |
| 48 | T | 70.8 | Confident | 67 | Low | 60 Ų | 60 | 109.2 Ų | 109.2 | 37% | 0.368 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -106.7 | 125.2 | -176.3 | 40.3 | 0 | 0 | 0 | 0 | 110.8 | L24 I27 L50 | L24-T48 HydrophobicContact CD1-CG2 3.6Å; L24-T48 HydrophobicContact CD2-CG2 4.13Å; L24-T48 HydrophobicContact CG-CG2 4.23Å; I27-T48 HydrophobicContact CD1-CG2 4.49Å; I27-T48 HydrophobicContact CG1-CG2 3.75Å; T48-L50 PolarHBondContact O-N 3.36Å |
| 49 | H | 66.6 | Low | 64.6 | Low | 128 Ų | 128 | 110.9 Ų | 110.9 | 59% | 0.593 | 59% | 0.594 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.5 | 108.5 | 170.1 | -161.2 | -83.2 | 0 | 0 | 0 | 109.6 | K25 Q26 | K25-H49 PolarHBondContact N-O 3.48Å; Q26-H49 PolarHBondContact O-N 3.32Å; Q26-H49 VanDerWaalsContact O-N 3.14Å |
| 50 | L | 65.4 | Low | 62.9 | Low | 86 Ų | 86 | 115.4 Ų | 115.4 | 45% | 0.45 | 61% | 0.611 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.9 | 107.8 | 173.2 | -67.1 | 165.8 | 0 | 0 | 0 | 107.8 | I21 L24 T48 Q52 | I21-L50 HydrophobicContact CB-CD2 4.36Å; I21-L50 HydrophobicContact CD1-CD2 4.04Å; I21-L50 HydrophobicContact CG2-CD2 3.12Å; L24-L50 HydrophobicContact CD1-CD2 3.66Å; L24-L50 HydrophobicContact CD1-CG 4.35Å; T48-L50 PolarHBondContact O-N 3.36Å; L50-Q52 PolarHBondContact O-N 3.17Å |
| 51 | S | 63.1 | Low | 61.8 | Low | 27 Ų | 27 | 113.8 Ų | 113.8 | 19% | 0.189 | 60% | 0.602 | C | S | . | * | trans | -78 | 112.5 | 166.8 | 69.5 | 0 | 0 | 0 | 0 | 107.6 | S23 K25 S53 | S23-S51 WeakPolarHBondContact CB-O 3.47Å; S23-S51 PolarHBondContact O-N 3.08Å; S23-S51 PolarHBondContact O-OG 3.04Å; S23-S51 PolarHBondContact OG-O 3.36Å; K25-S51 WeakPolarHBondContact CE-OG 3.39Å; S51-S53 PolarHBondContact O-N 3.4Å; S51-S53 VanDerWaalsContact O-N 3.11Å | ||
| 52 | Q | 58.4 | Low | 60.6 | Low | 170 Ų | 170 | 111.7 Ų | 111.7 | 79% | 0.794 | 60% | 0.598 | S | S | * | * | trans | -60.8 | 118.6 | 159.3 | -75 | -174.2 | -28.5 | 0 | 0 | 106.4 | L50 N54 | L50-Q52 PolarHBondContact O-N 3.17Å; Q52-N54 PolarHBondContact O-N 2.78Å | ||
| 53 | S | 53.2 | Low | 59.3 | Low | 102 Ų | 102 | 109.1 Ų | 109.1 | 71% | 0.713 | 60% | 0.598 | S | S | * | * | trans | -63.5 | 99.1 | 157.9 | 49.7 | 0 | 0 | 0 | 0 | 104.8 | S51 P55 | S51-S53 PolarHBondContact O-N 3.4Å; S51-S53 VanDerWaalsContact O-N 3.11Å; S53-P55 WeakPolarHBondContact O-CD 3.19Å | ||
| 54 | N | 49.9 | Very low | 58.1 | Low | 121 Ų | 121 | 109.6 Ų | 109.6 | 65% | 0.647 | 60% | 0.603 | S | S | * | * | trans | -50.2 | 127.7 | 163.8 | -87 | 0.7 | 0 | 0 | 0 | 106.3 | Q52 S56 | Q52-N54 PolarHBondContact O-N 2.78Å; N54-S56 PolarHBondContact O-N 2.94Å | ||
| 55 | P | 49 | Very low | 56.6 | Low | 121 Ų | 121 | 106.6 Ų | 106.6 | 79% | 0.786 | 60% | 0.602 | S | S | * | * | trans | -68.5 | 77.7 | 159.6 | 29.5 | -30 | 0 | 0 | 0 | 106.6 | S53 H57 | S53-P55 WeakPolarHBondContact O-CD 3.19Å; P55-H57 PolarHBondContact O-N 2.96Å | ||
| 56 | S | 41 | Very low | 55.1 | Low | 100 Ų | 100 | 113 Ų | 113 | 70% | 0.699 | 64% | 0.635 | S | S | * | * | trans | -76.7 | 70.4 | 165.7 | 51.4 | 0 | 0 | 0 | 0 | 107.9 | N54 | N54-S56 PolarHBondContact O-N 2.94Š| ||
| 57 | H | 41.2 | Very low | 53.7 | Low | 176 Ų | 176 | 117.3 Ų | 117.3 | 82% | 0.815 | 66% | 0.656 | S | S | * | * | trans | -175.4 | 103.5 | 165.9 | -99.3 | -73.8 | 0 | 0 | 0 | 103.8 | P55 | P55-H57 PolarHBondContact O-N 2.96Š| ||
| 58 | S | 37.9 | Very low | 52.1 | Low | 111 Ų | 111 | 120.8 Ų | 120.8 | 78% | 0.776 | 68% | 0.678 | S | S | * | * | -155.4 | 114.3 | 57.5 | 45 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 59 | A | 33.3 | Very low | 50.6 | Low | 94 Ų | 94 | 125.8 Ų | 125.8 | 78% | 0.777 | 70% | 0.703 | S | S | * | * | trans | -118.4 | 82.2 | 154.9 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 60 | F | 47.6 | Very low | 49.1 | Very low | 274 Ų | 274 | 125.6 Ų | 125.6 | 100% | 1.202 | 71% | 0.713 | S | S | * | * | trans | -150.4 | 0 | 162.3 | -86.5 | -72.8 | 0 | 0 | 0 | 107.4 |
Retrieved 60 of 60 residues in 126.6 ms
(Link to these results)