| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 57.1 | Low | 76.4 | Confident | 184 Ų | 184 | 109.6 Ų | 109.6 | 91% | 0.906 | 57% | 0.57 | S | S | * | * | 0 | -53.3 | 0 | -49.9 | -43.3 | -78.8 | 0 | 0 | 114.3 | T5 | M1-T5 PolarHBondContact O-N 2.97Å; M1-T5 PolarHBondContact O-OG1 3.02Å | |||
| 2 | A | 60 | Low | 77.8 | Confident | 77 Ų | 77 | 107.8 Ų | 107.8 | 64% | 0.636 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -70.7 | -34.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | T5 R6 | A2-T5 WeakPolarHBondContact O-CB 3.43Å; A2-T5 PolarHBondContact O-N 2.71Å; A2-R6 PolarHBondContact O-N 2.93Å |
| 3 | E | 59.7 | Low | 79.1 | Confident | 109 Ų | 109 | 103.8 Ų | 103.8 | 51% | 0.509 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -72.8 | -40.8 | -179 | -172.9 | 54.4 | -147.9 | 0 | 0 | 112.5 | T5 R6 Q7 | E3-T5 PolarHBondContact O-N 3.4Å; E3-R6 WeakPolarHBondContact O-CB 3.48Å; E3-R6 PolarHBondContact O-N 3.44Å; E3-Q7 WeakPolarHBondContact O-CG 3.36Å; E3-Q7 PolarHBondContact O-N 2.86Å; E3-Q7 PolarHBondContact OE1-NE2 2.96Å |
| 4 | E | 61.9 | Low | 80.2 | Confident | 132 Ų | 132 | 106.6 Ų | 106.6 | 62% | 0.617 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -58.2 | -34.9 | 171.6 | -75.9 | 168.2 | 138.9 | 0 | 0 | 112 | Q7 S8 | E4-Q7 PolarHBondContact O-N 2.91Å; E4-S8 WeakPolarHBondContact O-CB 3.25Å; E4-S8 PolarHBondContact O-N 3.26Å |
| 5 | T | 74.5 | Confident | 81.2 | Confident | 71 Ų | 71 | 107.9 Ų | 107.9 | 44% | 0.436 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -68.3 | -35.5 | 176 | -54.9 | 0 | 0 | 0 | 0 | 111.6 | M1 A2 E3 K9 | M1-T5 PolarHBondContact O-N 2.97Å; M1-T5 PolarHBondContact O-OG1 3.02Å; A2-T5 WeakPolarHBondContact O-CB 3.43Å; A2-T5 PolarHBondContact O-N 2.71Å; E3-T5 PolarHBondContact O-N 3.4Å; T5-K9 HydrophobicContact CG2-CD 4.38Å; T5-K9 WeakPolarHBondContact O-CB 3.17Å; T5-K9 WeakPolarHBondContact O-CD 3.14Å; T5-K9 WeakPolarHBondContact O-CG 3.23Å; T5-K9 PolarHBondContact O-N 3.24Å; T5-K9 VanDerWaalsContact O-N 3.11Å |
| 6 | R | 79.6 | Confident | 82 | Confident | 176 Ų | 176 | 109.9 Ų | 109.9 | 66% | 0.664 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -70.8 | -44 | 175.5 | -69.1 | 176 | 69.4 | 111.5 | 1.2 | 111.4 | A2 E3 K9 L10 | A2-R6 PolarHBondContact O-N 2.93Å; E3-R6 WeakPolarHBondContact O-CB 3.48Å; E3-R6 PolarHBondContact O-N 3.44Å; R6-K9 PolarHBondContact O-N 3.04Å; R6-L10 WeakPolarHBondContact O-CB 3.39Å; R6-L10 PolarHBondContact O-N 3.02Å |
| 7 | Q | 84.9 | Confident | 82.7 | Confident | 102 Ų | 102 | 110.6 Ų | 110.6 | 48% | 0.477 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -66 | -40.7 | 177.8 | -63.2 | -59.8 | -23 | 0 | 0 | 111.8 | E3 E4 L10 A11 | E3-Q7 WeakPolarHBondContact O-CG 3.36Å; E3-Q7 PolarHBondContact O-N 2.86Å; E3-Q7 PolarHBondContact OE1-NE2 2.96Å; E4-Q7 PolarHBondContact O-N 2.91Å; Q7-L10 PolarHBondContact O-N 3.11Å; Q7-A11 WeakPolarHBondContact O-CB 3.43Å; Q7-A11 PolarHBondContact O-N 2.99Å |
| 8 | S | 83.8 | Confident | 83.2 | Confident | 64 Ų | 64 | 112.4 Ų | 112.4 | 45% | 0.448 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -61.3 | -45.8 | 174 | 175.9 | 0 | 0 | 0 | 0 | 112 | E4 L10 A11 I12 | E4-S8 WeakPolarHBondContact O-CB 3.25Å; E4-S8 PolarHBondContact O-N 3.26Å; S8-L10 VanDerWaalsContact C-N 3.32Å; S8-L10 PolarHBondContact O-N 2.95Å; S8-A11 PolarHBondContact O-N 3.19Å; S8-I12 WeakPolarHBondContact O-CG1 3.33Å; S8-I12 PolarHBondContact O-N 3.39Å |
| 9 | K | 91.6 | Very high | 83.6 | Confident | 141 Ų | 141 | 111.8 Ų | 111.8 | 61% | 0.613 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -60.5 | -40.3 | 175.1 | -75.2 | 172.1 | -178.9 | -178.3 | 0 | 112.4 | T5 R6 A13 | T5-K9 HydrophobicContact CG2-CD 4.38Å; T5-K9 WeakPolarHBondContact O-CB 3.17Å; T5-K9 WeakPolarHBondContact O-CD 3.14Å; T5-K9 WeakPolarHBondContact O-CG 3.23Å; T5-K9 PolarHBondContact O-N 3.24Å; T5-K9 VanDerWaalsContact O-N 3.11Å; R6-K9 PolarHBondContact O-N 3.04Å; K9-A13 WeakPolarHBondContact O-CB 3.43Å; K9-A13 PolarHBondContact O-N 3.09Å; K9-A13 VanDerWaalsContact O-N 3.08Å |
| 10 | L | 94.3 | Very high | 84.1 | Confident | 91 Ų | 91 | 113.4 Ų | 113.4 | 48% | 0.476 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -66.8 | -40.1 | 177.1 | -177.7 | 62 | 0 | 0 | 0 | 112 | R6 Q7 S8 A13 K14 | R6-L10 WeakPolarHBondContact O-CB 3.39Å; R6-L10 PolarHBondContact O-N 3.02Å; Q7-L10 PolarHBondContact O-N 3.11Å; S8-L10 VanDerWaalsContact C-N 3.32Å; S8-L10 PolarHBondContact O-N 2.95Å; L10-A13 PolarHBondContact O-N 3.39Å; L10-K14 WeakPolarHBondContact O-CG 3.46Å; L10-K14 PolarHBondContact O-N 3.45Å |
| 11 | A | 92.6 | Very high | 84.2 | Confident | 59 Ų | 59 | 116.2 Ų | 116.2 | 49% | 0.488 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.9 | -46.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q7 S8 A13 K14 E15 | Q7-A11 WeakPolarHBondContact O-CB 3.43Å; Q7-A11 PolarHBondContact O-N 2.99Å; S8-A11 PolarHBondContact O-N 3.19Å; A11-A13 PolarHBondContact O-N 3.37Å; A11-K14 PolarHBondContact O-N 3.35Å; A11-E15 PolarHBondContact O-N 2.99Å; A11-E15 VanDerWaalsContact O-N 3.07Å |
| 12 | I | 93.4 | Very high | 85.5 | Confident | 87 Ų | 87 | 112.5 Ų | 112.5 | 45% | 0.446 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -60.9 | -44 | 177 | -65.3 | 163.8 | 0 | 0 | 0 | 111.1 | S8 K14 E15 K16 | S8-I12 WeakPolarHBondContact O-CG1 3.33Å; S8-I12 PolarHBondContact O-N 3.39Å; I12-K14 VanDerWaalsContact C-N 3.33Å; I12-K14 PolarHBondContact O-N 3.42Å; I12-E15 PolarHBondContact O-N 3.34Å; I12-K16 PolarHBondContact O-N 2.96Å; I12-K16 VanDerWaalsContact O-N 3.11Å |
| 13 | A | 94.9 | Very high | 86.5 | Confident | 57 Ų | 57 | 117.3 Ų | 117.3 | 47% | 0.471 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.3 | -39.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | K9 L10 A11 L17 | K9-A13 WeakPolarHBondContact O-CB 3.43Å; K9-A13 PolarHBondContact O-N 3.09Å; K9-A13 VanDerWaalsContact O-N 3.08Å; L10-A13 PolarHBondContact O-N 3.39Å; A11-A13 PolarHBondContact O-N 3.37Å; A13-L17 PolarHBondContact O-N 3.39Å; A13-L17 VanDerWaalsContact O-N 3.09Å |
| 14 | K | 94.9 | Very high | 87.2 | Confident | 142 Ų | 142 | 117.3 Ų | 117.3 | 62% | 0.617 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64 | -42 | 176.2 | -82.6 | 180 | 152.6 | -175.5 | 0 | 112.6 | L10 A11 I12 L17 K18 | L10-K14 WeakPolarHBondContact O-CG 3.46Å; L10-K14 PolarHBondContact O-N 3.45Å; A11-K14 PolarHBondContact O-N 3.35Å; I12-K14 VanDerWaalsContact C-N 3.33Å; I12-K14 PolarHBondContact O-N 3.42Å; K14-L17 PolarHBondContact O-N 3.28Å; K14-K18 PolarHBondContact O-N 2.98Å; K14-K18 VanDerWaalsContact O-N 3.1Å |
| 15 | E | 95.4 | Very high | 87.6 | Confident | 126 Ų | 126 | 113.9 Ų | 113.9 | 59% | 0.589 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64 | -46 | 178.3 | -170.8 | 176.5 | -169.2 | 0 | 0 | 111.5 | A11 I12 L17 K18 E19 | A11-E15 PolarHBondContact O-N 2.99Å; A11-E15 VanDerWaalsContact O-N 3.07Å; I12-E15 PolarHBondContact O-N 3.34Å; E15-L17 VanDerWaalsContact C-N 3.3Å; E15-L17 PolarHBondContact O-N 3.48Å; E15-K18 WeakPolarHBondContact O-CB 3.49Å; E15-K18 PolarHBondContact O-N 2.86Å; E15-K18 VanDerWaalsContact O-N 3.09Å; E15-E19 PolarHBondContact O-N 3.07Å |
| 16 | K | 94.1 | Very high | 86.9 | Confident | 141 Ų | 141 | 116.6 Ų | 116.6 | 61% | 0.613 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.6 | -36.3 | 176.4 | -73.2 | -161.8 | 173.8 | -169.7 | 0 | 113.4 | I12 Y20 | I12-K16 PolarHBondContact O-N 2.96Å; I12-K16 VanDerWaalsContact O-N 3.11Å; K16-Y20 WeakPolarHBondContact O-CB 3.48Å; K16-Y20 PolarHBondContact O-N 2.95Å |
| 17 | L | 92.9 | Very high | 85.8 | Confident | 121 Ų | 121 | 111 Ų | 111 | 63% | 0.634 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.8 | -42 | 174.7 | -177.5 | 63.9 | 0 | 0 | 0 | 111.3 | A13 K14 E15 Y20 W21 | A13-L17 PolarHBondContact O-N 3.39Å; A13-L17 VanDerWaalsContact O-N 3.09Å; K14-L17 PolarHBondContact O-N 3.28Å; E15-L17 VanDerWaalsContact C-N 3.3Å; E15-L17 PolarHBondContact O-N 3.48Å; L17-Y20 PolarHBondContact O-N 2.88Å; L17-W21 WeakPolarHBondContact O-CB 3.1Å; L17-W21 PolarHBondContact O-N 2.94Å |
| 18 | K | 92.4 | Very high | 84.1 | Confident | 144 Ų | 144 | 112 Ų | 112 | 63% | 0.626 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.4 | -42.9 | 176.7 | -173.8 | -176.1 | 176.2 | -172.2 | 0 | 111.9 | K14 E15 W21 Q22 | K14-K18 PolarHBondContact O-N 2.98Å; K14-K18 VanDerWaalsContact O-N 3.1Å; E15-K18 WeakPolarHBondContact O-CB 3.49Å; E15-K18 PolarHBondContact O-N 2.86Å; E15-K18 VanDerWaalsContact O-N 3.09Å; K18-W21 PolarHBondContact O-N 2.75Å; K18-Q22 WeakPolarHBondContact O-CG 3.47Å; K18-Q22 PolarHBondContact O-N 3.27Å |
| 19 | E | 91 | Very high | 82.3 | Confident | 101 Ų | 101 | 114.9 Ų | 114.9 | 47% | 0.472 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -63.1 | -42.8 | 175.3 | -79.1 | -172.6 | 155.3 | 0 | 0 | 112.7 | E15 W21 Q22 R23 | E15-E19 PolarHBondContact O-N 3.07Å; E19-W21 VanDerWaalsContact C-N 3.32Å; E19-Q22 PolarHBondContact O-N 3.1Å; E19-R23 WeakPolarHBondContact O-CB 3.48Å; E19-R23 WeakPolarHBondContact O-CG 3.42Å; E19-R23 PolarHBondContact O-N 3.42Å |
| 20 | Y | 92.8 | Very high | 80.4 | Confident | 143 Ų | 143 | 112.7 Ų | 112.7 | 56% | 0.561 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -60.4 | -46.2 | 175.9 | 178.4 | -95.8 | 0 | 0 | 0 | 110.6 | K16 L17 R23 N24 | K16-Y20 WeakPolarHBondContact O-CB 3.48Å; K16-Y20 PolarHBondContact O-N 2.95Å; L17-Y20 PolarHBondContact O-N 2.88Å; Y20-R23 PolarHBondContact O-N 2.97Å; Y20-N24 VanDerWaalsContact O-CB 3.23Å; Y20-N24 WeakPolarHBondContact O-CB 3.42Å; Y20-N24 PolarHBondContact O-N 3.09Å |
| 21 | W | 86.6 | Confident | 78.4 | Confident | 173 Ų | 173 | 111.6 Ų | 111.6 | 66% | 0.655 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -62.4 | -45.3 | 177.2 | -160.8 | 81.8 | 0 | 0 | 0 | 111.3 | L17 K18 E19 R23 N24 S25 | L17-W21 WeakPolarHBondContact O-CB 3.1Å; L17-W21 PolarHBondContact O-N 2.94Å; K18-W21 PolarHBondContact O-N 2.75Å; E19-W21 VanDerWaalsContact C-N 3.32Å; W21-R23 PolarHBondContact O-N 3.46Å; W21-N24 PolarHBondContact O-N 3.37Å; W21-S25 WeakPolarHBondContact O-CA 3.49Å; W21-S25 WeakPolarHBondContact O-CB 3.42Å; W21-S25 PolarHBondContact O-N 3.15Å; W21-S25 PolarHBondContact O-OG 3.19Å |
| 22 | Q | 84.9 | Confident | 75.9 | Confident | 106 Ų | 106 | 114.8 Ų | 114.8 | 50% | 0.495 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -63.3 | -41.4 | 177.3 | -75.6 | -145.5 | -27.5 | 0 | 0 | 113.6 | K18 E19 N24 L26 | K18-Q22 WeakPolarHBondContact O-CG 3.47Å; K18-Q22 PolarHBondContact O-N 3.27Å; E19-Q22 PolarHBondContact O-N 3.1Å; Q22-N24 VanDerWaalsContact C-N 3.31Å; Q22-N24 PolarHBondContact O-N 3.25Å; Q22-L26 VanDerWaalsContact O-CB 3.25Å; Q22-L26 WeakPolarHBondContact O-CB 3.2Å; Q22-L26 WeakPolarHBondContact O-CG 3.45Å; Q22-L26 PolarHBondContact O-N 2.8Å |
| 23 | R | 80.6 | Confident | 74.1 | Confident | 177 Ų | 177 | 119.4 Ų | 119.4 | 67% | 0.668 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -69.4 | -29.3 | 177.9 | -72 | -174.3 | -67.3 | 132.8 | -5.3 | 113.1 | E19 Y20 W21 | E19-R23 WeakPolarHBondContact O-CB 3.48Å; E19-R23 WeakPolarHBondContact O-CG 3.42Å; E19-R23 PolarHBondContact O-N 3.42Å; Y20-R23 PolarHBondContact O-N 2.97Å; W21-R23 PolarHBondContact O-N 3.46Å |
| 24 | N | 73.4 | Confident | 72.1 | Confident | 109 Ų | 109 | 126.4 Ų | 126.4 | 58% | 0.583 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -88.7 | -29 | 178.9 | -173.5 | 79 | 0 | 0 | 0 | 112.9 | Y20 W21 Q22 | Y20-N24 VanDerWaalsContact O-CB 3.23Å; Y20-N24 WeakPolarHBondContact O-CB 3.42Å; Y20-N24 PolarHBondContact O-N 3.09Å; W21-N24 PolarHBondContact O-N 3.37Å; Q22-N24 VanDerWaalsContact C-N 3.31Å; Q22-N24 PolarHBondContact O-N 3.25Å |
| 25 | S | 72.1 | Confident | 70.2 | Confident | 60 Ų | 60 | 126.2 Ų | 126.2 | 42% | 0.42 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -83.8 | -28.4 | 177.4 | -64.4 | 0 | 0 | 0 | 0 | 112.6 | W21 G27 | W21-S25 WeakPolarHBondContact O-CA 3.49Å; W21-S25 WeakPolarHBondContact O-CB 3.42Å; W21-S25 PolarHBondContact O-N 3.15Å; W21-S25 PolarHBondContact O-OG 3.19Å; S25-G27 VanDerWaalsContact C-N 3.32Å; S25-G27 PolarHBondContact O-N 3.39Å |
| 26 | L | 59.1 | Low | 68.1 | Low | 129 Ų | 129 | 130.4 Ų | 130.4 | 68% | 0.675 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -87 | 77.3 | 169.2 | -67.1 | 165.5 | 0 | 0 | 0 | 108.7 | Q22 | Q22-L26 VanDerWaalsContact O-CB 3.25Å; Q22-L26 WeakPolarHBondContact O-CB 3.2Å; Q22-L26 WeakPolarHBondContact O-CG 3.45Å; Q22-L26 PolarHBondContact O-N 2.8Å |
| 27 | G | 56.1 | Low | 66.1 | Low | 59 Ų | 59 | 133.3 Ų | 133.3 | 61% | 0.608 | 68% | 0.676 | S | S | * | * | trans | -52.7 | 139.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S25 | S25-G27 VanDerWaalsContact C-N 3.32Å; S25-G27 PolarHBondContact O-N 3.39Å | ||
| 28 | V | 48.9 | Very low | 63.5 | Low | 123 Ų | 123 | 132.6 Ų | 132.6 | 75% | 0.745 | 68% | 0.676 | S | S | * | * | trans | 32.9 | 112.7 | 157 | -179.1 | 0 | 0 | 0 | 0 | 115.1 | A30 | V28-A30 PolarHBondContact O-N 3.11Š| ||
| 29 | P | 47.3 | Very low | 60.9 | Low | 124 Ų | 124 | 131.4 Ų | 131.4 | 81% | 0.805 | 69% | 0.686 | S | S | * | * | trans | -64.7 | 94 | 164 | 27 | -28.6 | 0 | 0 | 0 | 108.4 | G31 | P29-G31 PolarHBondContact O-N 3Š| ||
| 30 | A | 51.5 | Low | 58.1 | Low | 94 Ų | 94 | 130 Ų | 130 | 78% | 0.777 | 70% | 0.699 | S | S | * | * | trans | -65.8 | 114.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | V28 | V28-A30 PolarHBondContact O-N 3.11Š| ||
| 31 | G | 52.2 | Low | 55.3 | Low | 69 Ų | 69 | 129.1 Ų | 129.1 | 71% | 0.711 | 71% | 0.714 | S | S | * | * | trans | 78.4 | 73.1 | 158.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | P29 K33 | P29-G31 PolarHBondContact O-N 3Å; G31-K33 PolarHBondContact O-N 3.21Å | ||
| 32 | V | 39.8 | Very low | 52.9 | Low | 126 Ų | 126 | 126.3 Ų | 126.3 | 76% | 0.764 | 72% | 0.721 | S | S | * | * | trans | -72.3 | 79.7 | 148.8 | 178 | 0 | 0 | 0 | 0 | 108 | R34 | V32-R34 HydrophobicContact CG1-CB 3.99Å; V32-R34 PolarHBondContact O-N 3Å | ||
| 33 | K | 54.9 | Low | 51.6 | Low | 183 Ų | 183 | 126.5 Ų | 126.5 | 80% | 0.796 | 73% | 0.731 | S | S | * | * | trans | -68 | 85.4 | 151.9 | -178.1 | -179.3 | 177.5 | 178.3 | 0 | 106.2 | G31 N35 | G31-K33 PolarHBondContact O-N 3.21Å; K33-N35 VanDerWaalsContact C-N 3.28Å; K33-N35 PolarHBondContact O-N 3.08Å | ||
| 34 | R | 52.7 | Low | 49.4 | Very low | 205 Ų | 205 | 126.4 Ų | 126.4 | 77% | 0.774 | 74% | 0.738 | S | S | * | * | trans | -64.1 | 88.5 | 170.7 | 50.5 | -177.4 | -159.7 | 91.4 | 2.9 | 109.4 | V32 R36 | V32-R34 HydrophobicContact CG1-CB 3.99Å; V32-R34 PolarHBondContact O-N 3Å; R34-R36 PolarHBondContact O-N 3.4Å | ||
| 35 | N | 54.7 | Low | 47.4 | Very low | 138 Ų | 138 | 127.3 Ų | 127.3 | 74% | 0.738 | 75% | 0.748 | S | S | * | * | trans | -76.1 | 71.5 | 168.6 | 55.2 | 9.7 | 0 | 0 | 0 | 109.8 | K33 K37 | K33-N35 VanDerWaalsContact C-N 3.28Å; K33-N35 PolarHBondContact O-N 3.08Å; N35-K37 VanDerWaalsContact C-N 3.34Å; N35-K37 PolarHBondContact O-N 3.44Å | ||
| 36 | R | 52.7 | Low | 45.6 | Very low | 214 Ų | 214 | 128.9 Ų | 128.9 | 81% | 0.808 | 76% | 0.764 | S | S | * | * | trans | -75.5 | 92 | 167.9 | -171.1 | 171.9 | 177 | 172.6 | -1.1 | 109 | R34 | R34-R36 PolarHBondContact O-N 3.4Š| ||
| 37 | K | 52.5 | Low | 44.8 | Very low | 202 Ų | 202 | 129.9 Ų | 129.9 | 88% | 0.878 | 78% | 0.776 | S | S | * | * | trans | -77.8 | 116.1 | 166.7 | -162 | 163 | -177.1 | 176.6 | 0 | 108.2 | N35 | N35-K37 VanDerWaalsContact C-N 3.34Å; N35-K37 PolarHBondContact O-N 3.44Å | ||
| 38 | T | 37.6 | Very low | 44.6 | Very low | 105 Ų | 105 | 132.6 Ų | 132.6 | 64% | 0.644 | 79% | 0.785 | S | S | * | * | trans | -155.5 | 105.1 | 158.5 | -13.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 39 | S | 38.1 | Very low | 44.1 | Very low | 119 Ų | 119 | 130.2 Ų | 130.2 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | 2.3 | 135.9 | 159.1 | 42.8 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 40 | G | 31.7 | Very low | 43.7 | Very low | 71 Ų | 71 | 127.9 Ų | 127.9 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | trans | 162 | 94.8 | 150.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 41 | S | 35 | Very low | 43.4 | Very low | 126 Ų | 126 | 129.9 Ų | 129.9 | 88% | 0.881 | 79% | 0.791 | S | S | * | * | trans | 59.8 | 123 | 156.1 | 73.6 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 42 | S | 35.7 | Very low | 43.1 | Very low | 114 Ų | 114 | 135.7 Ų | 135.7 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | -82.1 | -174.3 | 150.9 | -53.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 43 | P | 57.1 | Low | 43.8 | Very low | 110 Ų | 110 | 135.1 Ų | 135.1 | 71% | 0.714 | 80% | 0.801 | S | S | * | * | cis | -134.3 | -179.9 | -10.6 | 23.2 | 2.6 | 0 | 0 | 0 | 114.7 | ||||
| 44 | E | 35 | Very low | 43.9 | Very low | 174 Ų | 174 | 132.3 Ų | 132.3 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | 131.1 | 121.7 | 137.3 | -67 | -161 | 126.8 | 0 | 0 | 119 | ||||
| 45 | T | 30.7 | Very low | 43.3 | Very low | 128 Ų | 128 | 131.8 Ų | 131.8 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | 61.9 | 108.6 | 129.4 | -49.5 | 0 | 0 | 0 | 0 | 121 | |||||
| 46 | A | 34.2 | Very low | 42.6 | Very low | 93 Ų | 93 | 131.8 Ų | 131.8 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | -172.7 | 111.3 | 123.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 47 | T | 43.3 | Very low | 42.3 | Very low | 150 Ų | 150 | 127.3 Ų | 127.3 | 92% | 0.92 | 81% | 0.81 | S | S | * | * | trans | -61.9 | 127.9 | 157.9 | -64.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 48 | S | 50 | Low | 42 | Very low | 116 Ų | 116 | 121.2 Ų | 121.2 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | trans | -161.9 | 119.7 | 163.6 | -177.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 49 | G | 38.8 | Very low | 42.5 | Very low | 73 Ų | 73 | 123.6 Ų | 123.6 | 75% | 0.753 | 81% | 0.812 | S | S | * | * | trans | 61.6 | 104.9 | 158 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 50 | G | 39.1 | Very low | 42.5 | Very low | 76 Ų | 76 | 121 Ų | 121 | 78% | 0.784 | 80% | 0.803 | S | S | * | * | 79.7 | 86.4 | 51.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 51 | C | 45.5 | Very low | 43.2 | Very low | 135 Ų | 135 | 125.4 Ų | 125.4 | 91% | 0.912 | 81% | 0.808 | S | S | * | * | trans | -165.1 | 117.6 | 151.7 | -96 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 52 | H | 46.7 | Very low | 43.8 | Very low | 191 Ų | 191 | 126 Ų | 126 | 88% | 0.884 | 80% | 0.797 | S | S | * | * | trans | -86 | 139.2 | 168.1 | -71.8 | -90.5 | 0 | 0 | 0 | 109.5 | ||||
| 53 | S | 54 | Low | 44.1 | Very low | 115 Ų | 115 | 124.4 Ų | 124.4 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | -167.9 | 134.5 | 128.2 | -91.5 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 54 | P | 57.2 | Low | 43.8 | Very low | 123 Ų | 123 | 125.7 Ų | 125.7 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | trans | -96.4 | 121.9 | 177.7 | 34.5 | -24 | 0 | 0 | 0 | 109.4 | ||||
| 55 | E | 39.2 | Very low | 44.2 | Very low | 194 Ų | 194 | 120.8 Ų | 120.8 | 91% | 0.907 | 79% | 0.791 | S | S | * | * | trans | -140 | 136 | 170.2 | -149.7 | 146.3 | 142.8 | 0 | 0 | 112.5 | ||||
| 56 | D | 41.4 | Very low | 45.7 | Very low | 139 Ų | 139 | 120.4 Ų | 120.4 | 74% | 0.743 | 79% | 0.79 | S | S | * | * | trans | -77.4 | 134.3 | -166 | -172.1 | 5.1 | 0 | 0 | 0 | 110.8 | ||||
| 57 | S | 44.6 | Very low | 46.2 | Very low | 120 Ų | 120 | 121.9 Ų | 121.9 | 84% | 0.839 | 79% | 0.79 | S | S | * | * | trans | -158.4 | 83 | 151.1 | -8.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 58 | A | 47.8 | Very low | 46.4 | Very low | 74 Ų | 74 | 120.1 Ų | 120.1 | 61% | 0.612 | 78% | 0.784 | S | S | * | * | trans | -54.9 | 164.5 | 149.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 59 | T | 47.9 | Very low | 46.4 | Very low | 155 Ų | 155 | 119.5 Ų | 119.5 | 95% | 0.951 | 78% | 0.78 | S | S | * | * | trans | 75.7 | 104.5 | 171.5 | 23.1 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 60 | G | 37.8 | Very low | 47 | Very low | 64 Ų | 64 | 120.1 Ų | 120.1 | 66% | 0.66 | 78% | 0.778 | S | S | * | * | trans | 175.4 | 87 | 162.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 61 | I | 46.4 | Very low | 47.7 | Very low | 163 Ų | 163 | 120.4 Ų | 120.4 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | trans | 62.9 | 93 | 141.8 | 54.1 | 176.5 | 0 | 0 | 0 | 117.8 | G63 | I61-G63 PolarHBondContact O-N 3.28Š| ||
| 62 | H | 46.8 | Very low | 48.1 | Very low | 140 Ų | 140 | 119.7 Ų | 119.7 | 65% | 0.648 | 75% | 0.751 | S | S | * | * | trans | -32.4 | 104.6 | 137.5 | 179.6 | -118.2 | 0 | 0 | 0 | 109.7 | E64 | H62-E64 IonicContact CE1-OE1 3.15Å; H62-E64 IonicContact CE1-OE2 3.63Å; H62-E64 PolarHBondContact CE1-OE2 3.04Å; H62-E64 IonicContact CG-OE1 2.72Å; H62-E64 WeakPolarHBondContact ND1-CG 3.42Å; H62-E64 IonicContact ND1-OE1 3.87Å; H62-E64 PolarHBondContact ND1-OE1 2.93Å; H62-E64 IonicContact ND1-OE2 2.8Å; H62-E64 PolarHBondContact ND1-OE2 2.9Å; H62-E64 PolarHBondContact O-N 3.49Å | ||
| 63 | G | 42.4 | Very low | 48.6 | Very low | 79 Ų | 79 | 118.8 Ų | 118.8 | 81% | 0.814 | 74% | 0.744 | S | S | * | * | trans | -74.3 | 62 | 174 | 0 | 0 | 0 | 0 | 0 | 110.4 | I61 G65 | I61-G63 PolarHBondContact O-N 3.28Å; G63-G65 PolarHBondContact O-N 2.86Å | ||
| 64 | E | 52.1 | Low | 48.7 | Very low | 137 Ų | 137 | 119.1 Ų | 119.1 | 64% | 0.64 | 74% | 0.737 | S | S | * | * | trans | -68.2 | 90.4 | 157.3 | 53.1 | -154.2 | 140.1 | 0 | 0 | 107.6 | H62 P66 | H62-E64 IonicContact CE1-OE1 3.15Å; H62-E64 IonicContact CE1-OE2 3.63Å; H62-E64 PolarHBondContact CE1-OE2 3.04Å; H62-E64 IonicContact CG-OE1 2.72Å; H62-E64 WeakPolarHBondContact ND1-CG 3.42Å; H62-E64 IonicContact ND1-OE1 3.87Å; H62-E64 PolarHBondContact ND1-OE1 2.93Å; H62-E64 IonicContact ND1-OE2 2.8Å; H62-E64 PolarHBondContact ND1-OE2 2.9Å; H62-E64 PolarHBondContact O-N 3.49Å; E64-P66 WeakPolarHBondContact O-CD 3.47Å | ||
| 65 | G | 41.8 | Very low | 48.6 | Very low | 72 Ų | 72 | 118.3 Ų | 118.3 | 74% | 0.742 | 73% | 0.725 | S | S | * | * | trans | -62 | 114.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | G63 T67 | G63-G65 PolarHBondContact O-N 2.86Å; G65-T67 PolarHBondContact O-N 3.46Å | ||
| 66 | P | 61.9 | Low | 49.6 | Very low | 119 Ų | 119 | 114.8 Ų | 114.8 | 77% | 0.773 | 71% | 0.709 | S | S | * | * | trans | -99.7 | 76.5 | 179.2 | 34.6 | -21.1 | 0 | 0 | 0 | 108.5 | E64 | E64-P66 WeakPolarHBondContact O-CD 3.47Š| ||
| 67 | T | 46 | Very low | 50.8 | Low | 125 Ų | 125 | 111.9 Ų | 111.9 | 77% | 0.767 | 70% | 0.7 | S | S | * | * | trans | -159.2 | 67.9 | 164.8 | -20 | 0 | 0 | 0 | 0 | 113.8 | G65 | G65-T67 PolarHBondContact O-N 3.46Š| ||
| 68 | S | 48.1 | Very low | 52.1 | Low | 113 Ų | 113 | 108.7 Ų | 108.7 | 79% | 0.79 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -143 | 24.1 | 153.3 | -79.8 | 0 | 0 | 0 | 0 | 112.3 | ||
| 69 | S | 49.9 | Very low | 53.2 | Low | 102 Ų | 102 | 109.1 Ų | 109.1 | 71% | 0.713 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -92.4 | -7.6 | 177.1 | -170.2 | 0 | 0 | 0 | 0 | 113.2 | T71 | S69-T71 VanDerWaalsContact C-N 3.34Å; S69-T71 PolarHBondContact O-N 2.85Å |
| 70 | A | 50.1 | Low | 54.5 | Low | 86 Ų | 86 | 107.9 Ų | 107.9 | 71% | 0.711 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -77.8 | -13.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 71 | T | 54.9 | Low | 56.5 | Low | 82 Ų | 82 | 111 Ų | 111 | 50% | 0.503 | 65% | 0.654 | S | S | . | * | S | Bend | trans | -106.6 | -12.5 | -168 | -21.1 | 0 | 0 | 0 | 0 | 114.9 | S69 L75 | S69-T71 VanDerWaalsContact C-N 3.34Å; S69-T71 PolarHBondContact O-N 2.85Å; T71-L75 WeakPolarHBondContact O-CD1 3.43Å |
| 72 | L | 52.4 | Low | 58.2 | Low | 121 Ų | 121 | 108.3 Ų | 108.3 | 63% | 0.634 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -71.6 | -43.5 | -179.6 | -150.6 | -170.9 | 0 | 0 | 0 | 111 | D74 L75 E76 | L72-D74 VanDerWaalsContact C-N 3.29Å; L72-D74 PolarHBondContact O-N 3.26Å; L72-L75 PolarHBondContact O-N 3.37Å; L72-E76 PolarHBondContact O-N 3.35Å |
| 73 | K | 57.5 | Low | 59.9 | Low | 172 Ų | 172 | 103.9 Ų | 103.9 | 75% | 0.748 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -70.7 | -26.5 | -176 | -50.2 | -164.1 | 178.5 | -166.8 | 0 | 113.1 | L75 | K73-L75 VanDerWaalsContact C-N 3.34Å |
| 74 | D | 56.5 | Low | 61.8 | Low | 122 Ų | 122 | 104.7 Ų | 104.7 | 65% | 0.652 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -78 | -20.5 | 178.7 | -158.1 | 48.7 | 0 | 0 | 0 | 112.4 | L72 P78 | L72-D74 VanDerWaalsContact C-N 3.29Å; L72-D74 PolarHBondContact O-N 3.26Å; D74-P78 WeakPolarHBondContact O-CD 3.46Å; D74-P78 WeakPolarHBondContact O-CG 3.09Å |
| 75 | L | 55.8 | Low | 63.5 | Low | 105 Ų | 105 | 101.9 Ų | 101.9 | 55% | 0.55 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -92 | -18.1 | 176.8 | -79.8 | 159.2 | 0 | 0 | 0 | 113.4 | T71 L72 K73 P78 C79 | T71-L75 WeakPolarHBondContact O-CD1 3.43Å; L72-L75 PolarHBondContact O-N 3.37Å; K73-L75 VanDerWaalsContact C-N 3.34Å; L75-P78 WeakPolarHBondContact O-CD 3.21Å; L75-C79 PolarHBondContact O-N 3.11Å; L75-C79 PolarHBondContact O-SG 3.34Å |
| 76 | E | 59.9 | Low | 65.7 | Low | 120 Ų | 120 | 103.5 Ų | 103.5 | 56% | 0.561 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -75.1 | -35.7 | -179.1 | -168.4 | 146.3 | 170.5 | 0 | 0 | 112.7 | L72 C79 Q80 | L72-E76 PolarHBondContact O-N 3.35Å; E76-C79 PolarHBondContact O-N 3.38Å; E76-Q80 WeakPolarHBondContact O-CB 3.45Å; E76-Q80 PolarHBondContact O-N 3.13Å |
| 77 | S | 65.6 | Low | 67 | Low | 79 Ų | 79 | 103 Ų | 103 | 55% | 0.552 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -60.2 | -49.5 | 174.4 | 136.4 | 0 | 0 | 0 | 0 | 112.8 | C79 Q80 E81 | S77-C79 VanDerWaalsContact C-N 3.29Å; S77-C79 PolarHBondContact O-N 3.41Å; S77-Q80 PolarHBondContact O-N 3.35Å; S77-E81 WeakPolarHBondContact O-CB 3.41Å; S77-E81 PolarHBondContact O-N 2.89Å |
| 78 | P | 72.3 | Confident | 69.2 | Low | 53 Ų | 53 | 99.6 Ų | 99.6 | 34% | 0.344 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -60.4 | -36.9 | 174.1 | -24.9 | 32 | 0 | 0 | 0 | 113 | D74 L75 L82 | D74-P78 WeakPolarHBondContact O-CD 3.46Å; D74-P78 WeakPolarHBondContact O-CG 3.09Å; L75-P78 WeakPolarHBondContact O-CD 3.21Å; P78-L82 WeakPolarHBondContact O-CB 3.23Å; P78-L82 WeakPolarHBondContact O-CG 3.41Å; P78-L82 PolarHBondContact O-N 2.98Å |
| 79 | C | 70.6 | Confident | 71.4 | Confident | 82 Ų | 82 | 102 Ų | 102 | 55% | 0.554 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -67.5 | -41.6 | 178.6 | -67.9 | 0 | 0 | 0 | 0 | 111.9 | L75 E76 S77 A83 | L75-C79 PolarHBondContact O-N 3.11Å; L75-C79 PolarHBondContact O-SG 3.34Å; E76-C79 PolarHBondContact O-N 3.38Å; S77-C79 VanDerWaalsContact C-N 3.29Å; S77-C79 PolarHBondContact O-N 3.41Å; C79-A83 PolarHBondContact O-N 2.94Å; C79-A83 VanDerWaalsContact O-N 3.13Å |
| 80 | Q | 75.8 | Confident | 73.4 | Confident | 129 Ų | 129 | 100.6 Ų | 100.6 | 60% | 0.603 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -65.5 | -42.6 | 176.3 | -161.4 | 80.3 | 16.6 | 0 | 0 | 111.4 | E76 S77 A83 V84 | E76-Q80 WeakPolarHBondContact O-CB 3.45Å; E76-Q80 PolarHBondContact O-N 3.13Å; S77-Q80 PolarHBondContact O-N 3.35Å; Q80-A83 PolarHBondContact O-N 3.39Å; Q80-V84 WeakPolarHBondContact O-CG2 3.5Å; Q80-V84 PolarHBondContact O-N 3.16Å |
| 81 | E | 79.6 | Confident | 75.4 | Confident | 129 Ų | 129 | 102 Ų | 102 | 60% | 0.603 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.2 | -44.7 | 177.9 | -173.6 | -179 | 165.5 | 0 | 0 | 111.6 | S77 A83 V84 V85 | S77-E81 WeakPolarHBondContact O-CB 3.41Å; S77-E81 PolarHBondContact O-N 2.89Å; E81-A83 VanDerWaalsContact C-N 3.32Å; E81-A83 PolarHBondContact O-N 3.27Å; E81-V84 PolarHBondContact O-N 2.85Å; E81-V85 WeakPolarHBondContact O-CG2 3.32Å; E81-V85 PolarHBondContact O-N 2.93Å |
| 82 | L | 82.8 | Confident | 77.4 | Confident | 108 Ų | 108 | 104.5 Ų | 104.5 | 57% | 0.565 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.9 | -37.4 | 176.9 | -72.8 | 175 | 0 | 0 | 0 | 112.3 | P78 V85 L86 | P78-L82 WeakPolarHBondContact O-CB 3.23Å; P78-L82 WeakPolarHBondContact O-CG 3.41Å; P78-L82 PolarHBondContact O-N 2.98Å; L82-V85 PolarHBondContact O-N 2.99Å; L82-L86 WeakPolarHBondContact O-CB 3.24Å; L82-L86 VanDerWaalsContact O-CG 3.23Å; L82-L86 WeakPolarHBondContact O-CG 3.46Å; L82-L86 PolarHBondContact O-N 3.32Å |
| 83 | A | 81 | Confident | 79.3 | Confident | 47 Ų | 47 | 103.4 Ų | 103.4 | 39% | 0.388 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60.8 | -47.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | C79 Q80 E81 V85 L86 D87 | C79-A83 PolarHBondContact O-N 2.94Å; C79-A83 VanDerWaalsContact O-N 3.13Å; Q80-A83 PolarHBondContact O-N 3.39Å; E81-A83 VanDerWaalsContact C-N 3.32Å; E81-A83 PolarHBondContact O-N 3.27Å; A83-V85 VanDerWaalsContact C-N 3.33Å; A83-V85 PolarHBondContact O-N 3.25Å; A83-L86 PolarHBondContact O-N 3.32Å; A83-D87 PolarHBondContact O-N 2.97Å |
| 84 | V | 82.6 | Confident | 81.1 | Confident | 95 Ų | 95 | 98 Ų | 98 | 58% | 0.576 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.9 | -40.1 | 177.5 | 175.9 | 0 | 0 | 0 | 0 | 111.6 | Q80 E81 S88 | Q80-V84 WeakPolarHBondContact O-CG2 3.5Å; Q80-V84 PolarHBondContact O-N 3.16Å; E81-V84 PolarHBondContact O-N 2.85Å; V84-S88 WeakPolarHBondContact O-CB 3.4Å; V84-S88 PolarHBondContact O-N 3.3Å |
| 85 | V | 87.9 | Confident | 82.9 | Confident | 78 Ų | 78 | 98.4 Ų | 98.4 | 47% | 0.473 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65 | -41.6 | 176.4 | 170.6 | 0 | 0 | 0 | 0 | 111.5 | E81 L82 A83 S88 R89 | E81-V85 WeakPolarHBondContact O-CG2 3.32Å; E81-V85 PolarHBondContact O-N 2.93Å; L82-V85 PolarHBondContact O-N 2.99Å; A83-V85 VanDerWaalsContact C-N 3.33Å; A83-V85 PolarHBondContact O-N 3.25Å; V85-S88 PolarHBondContact O-N 2.96Å; V85-R89 WeakPolarHBondContact O-CB 3.47Å; V85-R89 PolarHBondContact O-N 3.5Å |
| 86 | L | 88.4 | Confident | 84.8 | Confident | 107 Ų | 107 | 98.4 Ų | 98.4 | 56% | 0.56 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.1 | -41.6 | 178 | -72.9 | 176 | 0 | 0 | 0 | 112 | L82 A83 R89 S90 | L82-L86 WeakPolarHBondContact O-CB 3.24Å; L82-L86 VanDerWaalsContact O-CG 3.23Å; L82-L86 WeakPolarHBondContact O-CG 3.46Å; L82-L86 PolarHBondContact O-N 3.32Å; A83-L86 PolarHBondContact O-N 3.32Å; L86-R89 PolarHBondContact O-N 3.42Å; L86-S90 WeakPolarHBondContact O-CB 3.36Å; L86-S90 PolarHBondContact O-N 3.22Å |
| 87 | D | 89.8 | Confident | 86.5 | Confident | 108 Ų | 108 | 96.5 Ų | 96.5 | 58% | 0.578 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.3 | -45.6 | 176 | -77.2 | -16.7 | 0 | 0 | 0 | 111.5 | A83 R89 S90 I91 | A83-D87 PolarHBondContact O-N 2.97Å; D87-R89 VanDerWaalsContact C-N 3.26Å; D87-R89 PolarHBondContact O-N 2.99Å; D87-S90 WeakPolarHBondContact O-CB 3.41Å; D87-S90 PolarHBondContact O-N 2.89Å; D87-S90 VanDerWaalsContact O-N 3.16Å; D87-I91 WeakPolarHBondContact O-CG1 3.39Å; D87-I91 PolarHBondContact O-N 3.25Å |
| 88 | S | 91.4 | Very high | 87.9 | Confident | 53 Ų | 53 | 97.5 Ų | 97.5 | 37% | 0.371 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -57.3 | -41.6 | 173.8 | -173.4 | 0 | 0 | 0 | 0 | 111.8 | V84 V85 I91 K92 | V84-S88 WeakPolarHBondContact O-CB 3.4Å; V84-S88 PolarHBondContact O-N 3.3Å; V85-S88 PolarHBondContact O-N 2.96Å; S88-I91 PolarHBondContact O-N 3.24Å; S88-K92 WeakPolarHBondContact O-CG 3.3Å; S88-K92 PolarHBondContact O-N 3.46Å; S88-K92 VanDerWaalsContact O-N 3.13Å |
| 89 | R | 94.5 | Very high | 89 | Confident | 163 Ų | 163 | 99 Ų | 99 | 62% | 0.615 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -67.4 | -40.4 | 177.5 | -168.8 | 179.9 | -177.7 | -171.7 | 1.6 | 111.9 | V85 L86 D87 I91 K92 I93 | V85-R89 WeakPolarHBondContact O-CB 3.47Å; V85-R89 PolarHBondContact O-N 3.5Å; L86-R89 PolarHBondContact O-N 3.42Å; D87-R89 VanDerWaalsContact C-N 3.26Å; D87-R89 PolarHBondContact O-N 2.99Å; R89-I91 VanDerWaalsContact C-N 3.35Å; R89-K92 PolarHBondContact O-N 3Å; R89-I93 HydrophobicContact CG-CD1 3.93Å; R89-I93 HydrophobicContact CG-CG1 4.48Å; R89-I93 VanDerWaalsContact O-CG1 3.24Å; R89-I93 WeakPolarHBondContact O-CG1 3.48Å; R89-I93 PolarHBondContact O-N 3.28Å |
| 90 | S | 91.8 | Very high | 90.3 | Very high | 73 Ų | 73 | 99.5 Ų | 99.5 | 51% | 0.51 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.9 | -45.9 | 175.6 | -175.6 | 0 | 0 | 0 | 0 | 111.4 | L86 D87 K92 I93 S94 | L86-S90 WeakPolarHBondContact O-CB 3.36Å; L86-S90 PolarHBondContact O-N 3.22Å; D87-S90 WeakPolarHBondContact O-CB 3.41Å; D87-S90 PolarHBondContact O-N 2.89Å; D87-S90 VanDerWaalsContact O-N 3.16Å; S90-K92 PolarHBondContact O-N 2.98Å; S90-I93 PolarHBondContact O-N 3.4Å; S90-S94 PolarHBondContact O-N 3.41Å |
| 91 | I | 93.1 | Very high | 91.2 | Very high | 116 Ų | 116 | 99 Ų | 99 | 60% | 0.595 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -58.8 | -49 | 176.2 | -66 | 165.2 | 0 | 0 | 0 | 110.4 | D87 S88 R89 I93 S94 Q95 | D87-I91 WeakPolarHBondContact O-CG1 3.39Å; D87-I91 PolarHBondContact O-N 3.25Å; S88-I91 PolarHBondContact O-N 3.24Å; R89-I91 VanDerWaalsContact C-N 3.35Å; I91-I93 PolarHBondContact O-N 3.26Å; I91-S94 PolarHBondContact O-N 3.13Å; I91-S94 PolarHBondContact O-OG 3.47Å; I91-Q95 PolarHBondContact O-N 3.41Å |
| 92 | K | 95.2 | Very high | 91.9 | Very high | 134 Ų | 134 | 96.1 Ų | 96.1 | 58% | 0.583 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.5 | -39.8 | 178.1 | -71.1 | 175.4 | -178.6 | 174.9 | 0 | 113.1 | S88 R89 S90 Q95 L96 | S88-K92 WeakPolarHBondContact O-CG 3.3Å; S88-K92 PolarHBondContact O-N 3.46Å; S88-K92 VanDerWaalsContact O-N 3.13Å; R89-K92 PolarHBondContact O-N 3Å; S90-K92 PolarHBondContact O-N 2.98Å; K92-Q95 PolarHBondContact O-N 3.33Å; K92-L96 WeakPolarHBondContact O-CB 3.44Å; K92-L96 PolarHBondContact O-N 2.89Å |
| 93 | I | 93.8 | Very high | 92.5 | Very high | 99 Ų | 99 | 96.9 Ų | 96.9 | 51% | 0.508 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.7 | -43.3 | 178.1 | -71 | 165.3 | 0 | 0 | 0 | 110.6 | R89 S90 I91 L96 N97 | R89-I93 HydrophobicContact CG-CD1 3.93Å; R89-I93 HydrophobicContact CG-CG1 4.48Å; R89-I93 VanDerWaalsContact O-CG1 3.24Å; R89-I93 WeakPolarHBondContact O-CG1 3.48Å; R89-I93 PolarHBondContact O-N 3.28Å; S90-I93 PolarHBondContact O-N 3.4Å; I91-I93 PolarHBondContact O-N 3.26Å; I93-L96 PolarHBondContact O-N 3.09Å; I93-N97 WeakPolarHBondContact O-CB 3.28Å; I93-N97 PolarHBondContact O-N 3.03Å |
| 94 | S | 93.8 | Very high | 93.2 | Very high | 59 Ų | 59 | 98.4 Ų | 98.4 | 41% | 0.413 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.8 | -40 | 177.8 | 70.2 | 0 | 0 | 0 | 0 | 112.1 | S90 I91 N97 N98 | S90-S94 PolarHBondContact O-N 3.41Å; I91-S94 PolarHBondContact O-N 3.13Å; I91-S94 PolarHBondContact O-OG 3.47Å; S94-N97 PolarHBondContact O-N 3.12Å; S94-N98 PolarHBondContact O-N 2.98Å; S94-N98 VanDerWaalsContact O-N 3.09Å; S94-N98 PolarHBondContact O-ND2 3.45Å; S94-N98 VanDerWaalsContact O-ND2 3.12Å |
| 95 | Q | 94.8 | Very high | 93.6 | Very high | 129 Ų | 129 | 98.8 Ų | 98.8 | 60% | 0.603 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -59.1 | -48.9 | 173.4 | -170.3 | -175.3 | 26.3 | 0 | 0 | 111.3 | I91 K92 N97 N98 T99 | I91-Q95 PolarHBondContact O-N 3.41Å; K92-Q95 PolarHBondContact O-N 3.33Å; Q95-N97 VanDerWaalsContact C-N 3.33Å; Q95-N97 PolarHBondContact O-N 2.92Å; Q95-N98 PolarHBondContact O-N 3.25Å; Q95-T99 PolarHBondContact O-N 3.43Å; Q95-T99 PolarHBondContact O-OG1 3.28Å |
| 96 | L | 95.9 | Very high | 93.8 | Very high | 106 Ų | 106 | 100.9 Ų | 100.9 | 56% | 0.555 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.7 | -40.5 | 179.2 | -176.3 | 62.5 | 0 | 0 | 0 | 112.1 | K92 I93 N98 T99 I100 | K92-L96 WeakPolarHBondContact O-CB 3.44Å; K92-L96 PolarHBondContact O-N 2.89Å; I93-L96 PolarHBondContact O-N 3.09Å; L96-N98 VanDerWaalsContact C-N 3.33Å; L96-N98 PolarHBondContact O-N 3.48Å; L96-T99 PolarHBondContact O-N 3.35Å; L96-I100 HydrophobicContact CD1-CD1 4.34Å; L96-I100 HydrophobicContact CD1-CG1 4.47Å; L96-I100 HydrophobicContact CG-CD1 3.94Å; L96-I100 HydrophobicContact CG-CG1 4.5Å; L96-I100 VanDerWaalsContact O-CG1 3.3Å; L96-I100 WeakPolarHBondContact O-CG1 3.47Å; L96-I100 PolarHBondContact O-N 2.95Å |
| 97 | N | 96 | Very high | 94 | Very high | 80 Ų | 80 | 98.1 Ų | 98.1 | 43% | 0.428 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.2 | -44.7 | 176.7 | -170.8 | -34 | 0 | 0 | 0 | 111.4 | I93 S94 Q95 T99 I100 K101 | I93-N97 WeakPolarHBondContact O-CB 3.28Å; I93-N97 PolarHBondContact O-N 3.03Å; S94-N97 PolarHBondContact O-N 3.12Å; Q95-N97 VanDerWaalsContact C-N 3.33Å; Q95-N97 PolarHBondContact O-N 2.92Å; N97-T99 PolarHBondContact O-N 3.27Å; N97-I100 PolarHBondContact O-N 2.85Å; N97-K101 WeakPolarHBondContact O-CG 3.27Å; N97-K101 PolarHBondContact O-N 2.91Å; N97-K101 VanDerWaalsContact OD1-CE 3.27Å; N97-K101 WeakPolarHBondContact OD1-CE 3.4Å |
| 98 | N | 94.7 | Very high | 93.8 | Very high | 100 Ų | 100 | 97.9 Ų | 97.9 | 54% | 0.535 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.9 | -41.4 | 176.4 | -70.6 | -37.7 | 0 | 0 | 0 | 112 | S94 Q95 L96 K101 S102 | S94-N98 PolarHBondContact O-N 2.98Å; S94-N98 VanDerWaalsContact O-N 3.09Å; S94-N98 PolarHBondContact O-ND2 3.45Å; S94-N98 VanDerWaalsContact O-ND2 3.12Å; Q95-N98 PolarHBondContact O-N 3.25Å; L96-N98 VanDerWaalsContact C-N 3.33Å; L96-N98 PolarHBondContact O-N 3.48Å; N98-K101 PolarHBondContact O-N 3.28Å; N98-S102 PolarHBondContact O-N 3.47Å |
| 99 | T | 96 | Very high | 93.5 | Very high | 83 Ų | 83 | 99.8 Ų | 99.8 | 51% | 0.509 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.5 | -46.5 | 174.5 | -57.2 | 0 | 0 | 0 | 0 | 111.8 | Q95 L96 N97 K101 S102 L103 | Q95-T99 PolarHBondContact O-N 3.43Å; Q95-T99 PolarHBondContact O-OG1 3.28Å; L96-T99 PolarHBondContact O-N 3.35Å; N97-T99 PolarHBondContact O-N 3.27Å; T99-K101 PolarHBondContact O-N 2.74Å; T99-S102 PolarHBondContact O-N 2.99Å; T99-L103 WeakPolarHBondContact O-CB 3.37Å; T99-L103 PolarHBondContact O-N 2.9Å |
| 100 | I | 96.6 | Very high | 93.1 | Very high | 93 Ų | 93 | 96.4 Ų | 96.4 | 48% | 0.477 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.4 | -46.7 | 178.1 | -69.6 | 166.2 | 0 | 0 | 0 | 110.4 | L96 N97 S102 L103 V104 | L96-I100 HydrophobicContact CD1-CD1 4.34Å; L96-I100 HydrophobicContact CD1-CG1 4.47Å; L96-I100 HydrophobicContact CG-CD1 3.94Å; L96-I100 HydrophobicContact CG-CG1 4.5Å; L96-I100 VanDerWaalsContact O-CG1 3.3Å; L96-I100 WeakPolarHBondContact O-CG1 3.47Å; L96-I100 PolarHBondContact O-N 2.95Å; N97-I100 PolarHBondContact O-N 2.85Å; I100-S102 VanDerWaalsContact C-N 3.35Å; I100-S102 PolarHBondContact O-N 3.43Å; I100-L103 PolarHBondContact O-N 3.45Å; I100-V104 HydrophobicContact CG2-CG2 4.31Å; I100-V104 WeakPolarHBondContact O-CB 3.46Å; I100-V104 VanDerWaalsContact O-CG2 3.28Å; I100-V104 WeakPolarHBondContact O-CG2 3.43Å; I100-V104 PolarHBondContact O-N 3.38Å |
| 101 | K | 95.9 | Very high | 92.5 | Very high | 120 Ų | 120 | 98 Ų | 98 | 52% | 0.522 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -57.3 | -47.4 | 176.6 | -78.7 | 177.7 | 174.4 | 177.4 | 0 | 111.9 | N97 N98 T99 L103 V104 I105 | N97-K101 WeakPolarHBondContact O-CG 3.27Å; N97-K101 PolarHBondContact O-N 2.91Å; N97-K101 VanDerWaalsContact OD1-CE 3.27Å; N97-K101 WeakPolarHBondContact OD1-CE 3.4Å; N98-K101 PolarHBondContact O-N 3.28Å; T99-K101 PolarHBondContact O-N 2.74Å; K101-L103 VanDerWaalsContact C-N 3.35Å; K101-L103 PolarHBondContact O-N 3.32Å; K101-V104 PolarHBondContact O-N 3.01Å; K101-I105 VanDerWaalsContact O-CG1 3.28Å; K101-I105 WeakPolarHBondContact O-CG1 3.45Å; K101-I105 PolarHBondContact O-N 3.4Å |
| 102 | S | 94.2 | Very high | 91.8 | Very high | 68 Ų | 68 | 99.1 Ų | 99.1 | 48% | 0.476 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.3 | -43.6 | 177.9 | 179.7 | 0 | 0 | 0 | 0 | 111.8 | N98 T99 I100 V104 I105 M106 | N98-S102 PolarHBondContact O-N 3.47Å; T99-S102 PolarHBondContact O-N 2.99Å; I100-S102 VanDerWaalsContact C-N 3.35Å; I100-S102 PolarHBondContact O-N 3.43Å; S102-V104 PolarHBondContact O-N 3.22Å; S102-I105 PolarHBondContact O-N 2.77Å; S102-M106 WeakPolarHBondContact O-CB 3.44Å; S102-M106 VanDerWaalsContact O-CG 3.3Å; S102-M106 WeakPolarHBondContact O-CG 3.46Å; S102-M106 PolarHBondContact O-N 3.23Å |
| 103 | L | 95.7 | Very high | 90.8 | Very high | 124 Ų | 124 | 95.6 Ų | 95.6 | 65% | 0.649 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.2 | -39.6 | 179.6 | -163.1 | 69.8 | 0 | 0 | 0 | 112.1 | T99 I100 K101 M106 A107 | T99-L103 WeakPolarHBondContact O-CB 3.37Å; T99-L103 PolarHBondContact O-N 2.9Å; I100-L103 PolarHBondContact O-N 3.45Å; K101-L103 VanDerWaalsContact C-N 3.35Å; K101-L103 PolarHBondContact O-N 3.32Å; L103-M106 PolarHBondContact O-N 3.2Å; L103-A107 VanDerWaalsContact O-CB 3.31Å; L103-A107 WeakPolarHBondContact O-CB 3.09Å; L103-A107 PolarHBondContact O-N 2.95Å |
| 104 | V | 94.3 | Very high | 89.7 | Confident | 78 Ų | 78 | 96.6 Ų | 96.6 | 47% | 0.473 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 173.8 | 168.7 | 0 | 0 | 0 | 0 | 110.6 | I100 K101 S102 A107 N108 | I100-V104 HydrophobicContact CG2-CG2 4.31Å; I100-V104 WeakPolarHBondContact O-CB 3.46Å; I100-V104 VanDerWaalsContact O-CG2 3.28Å; I100-V104 WeakPolarHBondContact O-CG2 3.43Å; I100-V104 PolarHBondContact O-N 3.38Å; K101-V104 PolarHBondContact O-N 3.01Å; S102-V104 PolarHBondContact O-N 3.22Å; V104-A107 PolarHBondContact O-N 2.87Å; V104-N108 WeakPolarHBondContact CG1-ND2 3.23Å; V104-N108 WeakPolarHBondContact O-CB 3.44Å; V104-N108 PolarHBondContact O-N 3.49Å; V104-N108 PolarHBondContact O-ND2 2.98Å |
| 105 | I | 92.6 | Very high | 88.7 | Confident | 103 Ų | 103 | 97.1 Ų | 97.1 | 53% | 0.528 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.9 | -47.7 | 176.5 | -67.9 | 164.1 | 0 | 0 | 0 | 110.5 | K101 S102 A107 N108 I109 | K101-I105 VanDerWaalsContact O-CG1 3.28Å; K101-I105 WeakPolarHBondContact O-CG1 3.45Å; K101-I105 PolarHBondContact O-N 3.4Å; S102-I105 PolarHBondContact O-N 2.77Å; I105-A107 PolarHBondContact O-N 2.94Å; I105-N108 PolarHBondContact O-N 3.39Å; I105-I109 HydrophobicContact CG2-CD1 3.84Å; I105-I109 HydrophobicContact CG2-CG1 4.49Å; I105-I109 WeakPolarHBondContact O-CG1 3.31Å; I105-I109 PolarHBondContact O-N 2.97Å |
| 106 | M | 92.1 | Very high | 87.6 | Confident | 123 Ų | 123 | 95.7 Ų | 95.7 | 61% | 0.606 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -57.7 | -46.1 | 177.1 | -75.3 | -80.6 | -76.2 | 0 | 0 | 111.9 | S102 L103 I109 L110 | S102-M106 WeakPolarHBondContact O-CB 3.44Å; S102-M106 VanDerWaalsContact O-CG 3.3Å; S102-M106 WeakPolarHBondContact O-CG 3.46Å; S102-M106 PolarHBondContact O-N 3.23Å; L103-M106 PolarHBondContact O-N 3.2Å; M106-I109 PolarHBondContact O-N 3.02Å; M106-L110 WeakPolarHBondContact O-CB 3.3Å; M106-L110 PolarHBondContact O-N 3.39Å |
| 107 | A | 91.1 | Very high | 86.4 | Confident | 49 Ų | 49 | 93.4 Ų | 93.4 | 41% | 0.405 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.1 | -41.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L103 V104 I105 L110 V111 | L103-A107 VanDerWaalsContact O-CB 3.31Å; L103-A107 WeakPolarHBondContact O-CB 3.09Å; L103-A107 PolarHBondContact O-N 2.95Å; V104-A107 PolarHBondContact O-N 2.87Å; I105-A107 PolarHBondContact O-N 2.94Å; A107-L110 WeakPolarHBondContact O-CB 3.3Å; A107-L110 PolarHBondContact O-N 3.24Å; A107-V111 WeakPolarHBondContact O-CB 3.24Å; A107-V111 VanDerWaalsContact O-CG2 3.23Å; A107-V111 WeakPolarHBondContact O-CG2 3.33Å; A107-V111 PolarHBondContact O-N 2.99Å |
| 108 | N | 86.9 | Confident | 85.3 | Confident | 102 Ų | 102 | 94.5 Ų | 94.5 | 55% | 0.545 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 176 | -79.9 | -60.6 | 0 | 0 | 0 | 112.1 | V104 I105 V111 F112 | V104-N108 WeakPolarHBondContact CG1-ND2 3.23Å; V104-N108 WeakPolarHBondContact O-CB 3.44Å; V104-N108 PolarHBondContact O-N 3.49Å; V104-N108 PolarHBondContact O-ND2 2.98Å; I105-N108 PolarHBondContact O-N 3.39Å; N108-V111 PolarHBondContact O-N 3.19Å; N108-F112 VanDerWaalsContact O-CB 3.3Å; N108-F112 WeakPolarHBondContact O-CB 3.33Å; N108-F112 PolarHBondContact O-N 3.48Å |
| 109 | I | 84.6 | Confident | 84.3 | Confident | 93 Ų | 93 | 94.5 Ų | 94.5 | 48% | 0.477 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.9 | -46.9 | 174 | -67.6 | 167.9 | 0 | 0 | 0 | 109.7 | I105 M106 V111 F112 V113 | I105-I109 HydrophobicContact CG2-CD1 3.84Å; I105-I109 HydrophobicContact CG2-CG1 4.49Å; I105-I109 WeakPolarHBondContact O-CG1 3.31Å; I105-I109 PolarHBondContact O-N 2.97Å; M106-I109 PolarHBondContact O-N 3.02Å; I109-V111 VanDerWaalsContact C-N 3.35Å; I109-V111 PolarHBondContact O-N 3.08Å; I109-F112 PolarHBondContact O-N 2.82Å; I109-V113 HydrophobicContact CG2-CB 4.45Å; I109-V113 HydrophobicContact CG2-CG2 3.86Å; I109-V113 WeakPolarHBondContact O-CB 3.46Å; I109-V113 VanDerWaalsContact O-CG2 3.26Å; I109-V113 WeakPolarHBondContact O-CG2 3.25Å; I109-V113 PolarHBondContact O-N 3.24Å |
| 110 | L | 85.3 | Confident | 83.5 | Confident | 93 Ų | 93 | 95.1 Ų | 95.1 | 49% | 0.487 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -55.7 | -50.8 | 178.2 | -162.9 | 83.7 | 0 | 0 | 0 | 110.9 | M106 A107 F112 F114 | M106-L110 WeakPolarHBondContact O-CB 3.3Å; M106-L110 PolarHBondContact O-N 3.39Å; A107-L110 WeakPolarHBondContact O-CB 3.3Å; A107-L110 PolarHBondContact O-N 3.24Å; L110-F112 VanDerWaalsContact C-N 3.32Å; L110-F112 PolarHBondContact O-N 3.41Å; L110-F114 HydrophobicContact CB-CD2 4.4Å; L110-F114 HydrophobicContact CD1-CD2 3.43Å; L110-F114 VanDerWaalsContact CD1-CD2 3.43Å; L110-F114 HydrophobicContact CD1-CE1 4.43Å; L110-F114 HydrophobicContact CD1-CE2 3.05Å; L110-F114 HydrophobicContact CD1-CG 4.29Å; L110-F114 HydrophobicContact CD1-CZ 3.61Å; L110-F114 HydrophobicContact CG-CD2 3.75Å; L110-F114 HydrophobicContact CG-CE2 3.92Å; L110-F114 HydrophobicContact CG-CG 4.38Å; L110-F114 WeakPolarHBondContact O-CB 3.17Å; L110-F114 WeakPolarHBondContact O-CD2 3.28Å; L110-F114 PolarHBondContact O-N 3.45Å |
| 111 | V | 80.9 | Confident | 82.5 | Confident | 107 Ų | 107 | 95.2 Ų | 95.2 | 65% | 0.648 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.9 | -31.9 | -178.1 | 173.7 | 0 | 0 | 0 | 0 | 112.3 | A107 N108 I109 P115 | A107-V111 WeakPolarHBondContact O-CB 3.24Å; A107-V111 VanDerWaalsContact O-CG2 3.23Å; A107-V111 WeakPolarHBondContact O-CG2 3.33Å; A107-V111 PolarHBondContact O-N 2.99Å; N108-V111 PolarHBondContact O-N 3.19Å; I109-V111 VanDerWaalsContact C-N 3.35Å; I109-V111 PolarHBondContact O-N 3.08Å; V111-P115 WeakPolarHBondContact O-CD 3.21Å; V111-P115 VanDerWaalsContact O-CG 3.24Å; V111-P115 WeakPolarHBondContact O-CG 3.42Å |
| 112 | F | 76.8 | Confident | 81.6 | Confident | 138 Ų | 138 | 95 Ų | 95 | 61% | 0.605 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -88.7 | -33.3 | -177.8 | -168.9 | -98.5 | 0 | 0 | 0 | 113.9 | N108 I109 L110 K116 | N108-F112 VanDerWaalsContact O-CB 3.3Å; N108-F112 WeakPolarHBondContact O-CB 3.33Å; N108-F112 PolarHBondContact O-N 3.48Å; I109-F112 PolarHBondContact O-N 2.82Å; L110-F112 VanDerWaalsContact C-N 3.32Å; L110-F112 PolarHBondContact O-N 3.41Å; F112-K116 HydrophobicContact CD1-CD 4.44Å; F112-K116 VanDerWaalsContact CD2-NZ 3.28Å; F112-K116 HydrophobicContact CE1-CD 4.16Å; F112-K116 WeakPolarHBondContact O-CG 3.41Å; F112-K116 PolarHBondContact O-NZ 3.25Å |
| 113 | V | 75.3 | Confident | 80.7 | Confident | 60 Ų | 60 | 96.6 Ų | 96.6 | 36% | 0.364 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -91.1 | -41.5 | -173.4 | 178 | 0 | 0 | 0 | 0 | 111.1 | I109 K116 C117 | I109-V113 HydrophobicContact CG2-CB 4.45Å; I109-V113 HydrophobicContact CG2-CG2 3.86Å; I109-V113 WeakPolarHBondContact O-CB 3.46Å; I109-V113 VanDerWaalsContact O-CG2 3.26Å; I109-V113 WeakPolarHBondContact O-CG2 3.25Å; I109-V113 PolarHBondContact O-N 3.24Å; V113-K116 PolarHBondContact O-N 3.43Å; V113-C117 PolarHBondContact O-N 3.01Å; V113-C117 PolarHBondContact O-SG 3.35Å; V113-C117 VanDerWaalsContact O-SG 3.33Å |
| 114 | F | 69.4 | Low | 79.9 | Confident | 120 Ų | 120 | 98.4 Ų | 98.4 | 53% | 0.526 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.6 | -48.5 | -177.1 | -87.1 | -108.7 | 0 | 0 | 0 | 113.5 | L110 K116 C117 I118 | L110-F114 HydrophobicContact CB-CD2 4.4Å; L110-F114 HydrophobicContact CD1-CD2 3.43Å; L110-F114 VanDerWaalsContact CD1-CD2 3.43Å; L110-F114 HydrophobicContact CD1-CE1 4.43Å; L110-F114 HydrophobicContact CD1-CE2 3.05Å; L110-F114 HydrophobicContact CD1-CG 4.29Å; L110-F114 HydrophobicContact CD1-CZ 3.61Å; L110-F114 HydrophobicContact CG-CD2 3.75Å; L110-F114 HydrophobicContact CG-CE2 3.92Å; L110-F114 HydrophobicContact CG-CG 4.38Å; L110-F114 WeakPolarHBondContact O-CB 3.17Å; L110-F114 WeakPolarHBondContact O-CD2 3.28Å; L110-F114 PolarHBondContact O-N 3.45Å; F114-K116 VanDerWaalsContact C-N 3.28Å; F114-K116 PolarHBondContact O-N 2.88Å; F114-C117 PolarHBondContact O-N 3.34Å; F114-I118 WeakPolarHBondContact O-CD1 3.25Å; F114-I118 VanDerWaalsContact O-CG1 3.25Å; F114-I118 WeakPolarHBondContact O-CG1 3.47Å; F114-I118 PolarHBondContact O-N 3.23Å |
| 115 | P | 74.6 | Confident | 79.3 | Confident | 71 Ų | 71 | 99.3 Ų | 99.3 | 46% | 0.461 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.3 | -35.2 | 179 | -22.3 | 34.6 | 0 | 0 | 0 | 112.4 | V111 V119 | V111-P115 WeakPolarHBondContact O-CD 3.21Å; V111-P115 VanDerWaalsContact O-CG 3.24Å; V111-P115 WeakPolarHBondContact O-CG 3.42Å; P115-V119 VanDerWaalsContact O-CG2 3.25Å; P115-V119 WeakPolarHBondContact O-CG2 3.38Å; P115-V119 PolarHBondContact O-N 2.98Å; P115-V119 VanDerWaalsContact O-N 3.08Å |
| 116 | K | 70.6 | Confident | 78.9 | Confident | 98 Ų | 98 | 97.7 Ų | 97.7 | 43% | 0.426 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.2 | -43.7 | 177.2 | -72.6 | -170.6 | 179.5 | 72.5 | 0 | 112 | F112 V113 F114 V119 I120 | F112-K116 HydrophobicContact CD1-CD 4.44Å; F112-K116 VanDerWaalsContact CD2-NZ 3.28Å; F112-K116 HydrophobicContact CE1-CD 4.16Å; F112-K116 WeakPolarHBondContact O-CG 3.41Å; F112-K116 PolarHBondContact O-NZ 3.25Å; V113-K116 PolarHBondContact O-N 3.43Å; F114-K116 VanDerWaalsContact C-N 3.28Å; F114-K116 PolarHBondContact O-N 2.88Å; K116-V119 PolarHBondContact O-N 3.38Å; K116-I120 WeakPolarHBondContact O-CD1 3.43Å; K116-I120 WeakPolarHBondContact O-CG1 3.26Å; K116-I120 PolarHBondContact O-N 2.88Å |
| 117 | C | 70 | Confident | 78.3 | Confident | 59 Ų | 59 | 96.1 Ų | 96.1 | 40% | 0.399 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.2 | -46.6 | 176 | -69.8 | 0 | 0 | 0 | 0 | 111.2 | V113 F114 V119 I120 D121 | V113-C117 PolarHBondContact O-N 3.01Å; V113-C117 PolarHBondContact O-SG 3.35Å; V113-C117 VanDerWaalsContact O-SG 3.33Å; F114-C117 PolarHBondContact O-N 3.34Å; C117-V119 VanDerWaalsContact C-N 3.35Å; C117-V119 PolarHBondContact O-N 3.41Å; C117-I120 PolarHBondContact O-N 3.33Å; C117-D121 WeakPolarHBondContact O-CB 3.39Å; C117-D121 VanDerWaalsContact O-CG 3.29Å; C117-D121 PolarHBondContact O-N 3.33Å |
| 118 | I | 74.5 | Confident | 77.8 | Confident | 102 Ų | 102 | 96.9 Ų | 96.9 | 52% | 0.523 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.5 | -45.5 | 178.1 | -67.6 | 164.7 | 0 | 0 | 0 | 111.4 | F114 D121 L122 | F114-I118 WeakPolarHBondContact O-CD1 3.25Å; F114-I118 VanDerWaalsContact O-CG1 3.25Å; F114-I118 WeakPolarHBondContact O-CG1 3.47Å; F114-I118 PolarHBondContact O-N 3.23Å; I118-D121 PolarHBondContact O-N 3.04Å; I118-L122 WeakPolarHBondContact O-CB 3.48Å; I118-L122 PolarHBondContact O-N 2.99Å |
| 119 | V | 74 | Confident | 77.5 | Confident | 100 Ų | 100 | 95.9 Ų | 95.9 | 61% | 0.606 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.1 | -41 | 179.4 | 170.8 | 0 | 0 | 0 | 0 | 111.8 | P115 K116 C117 L122 N123 | P115-V119 VanDerWaalsContact O-CG2 3.25Å; P115-V119 WeakPolarHBondContact O-CG2 3.38Å; P115-V119 PolarHBondContact O-N 2.98Å; P115-V119 VanDerWaalsContact O-N 3.08Å; K116-V119 PolarHBondContact O-N 3.38Å; C117-V119 VanDerWaalsContact C-N 3.35Å; C117-V119 PolarHBondContact O-N 3.41Å; V119-L122 PolarHBondContact O-N 3.29Å; V119-N123 WeakPolarHBondContact O-CB 3.4Å; V119-N123 PolarHBondContact O-N 2.93Å |
| 120 | I | 77.7 | Confident | 77.4 | Confident | 97 Ų | 97 | 96.4 Ų | 96.4 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.4 | -43.8 | 177.6 | -67.9 | 163 | 0 | 0 | 0 | 110.9 | K116 C117 N123 R124 | K116-I120 WeakPolarHBondContact O-CD1 3.43Å; K116-I120 WeakPolarHBondContact O-CG1 3.26Å; K116-I120 PolarHBondContact O-N 2.88Å; C117-I120 PolarHBondContact O-N 3.33Å; I120-N123 PolarHBondContact O-N 3.45Å; I120-R124 WeakPolarHBondContact O-CB 3.21Å; I120-R124 PolarHBondContact O-N 3.4Å |
| 121 | D | 76 | Confident | 77.1 | Confident | 95 Ų | 95 | 95.2 Ų | 95.2 | 51% | 0.508 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.2 | -39.9 | 179.3 | -70.1 | -32.5 | 0 | 0 | 0 | 111.4 | C117 I118 N125 | C117-D121 WeakPolarHBondContact O-CB 3.39Å; C117-D121 VanDerWaalsContact O-CG 3.29Å; C117-D121 PolarHBondContact O-N 3.33Å; I118-D121 PolarHBondContact O-N 3.04Å; D121-N125 WeakPolarHBondContact O-CB 3.35Å; D121-N125 PolarHBondContact O-N 3.03Å |
| 122 | L | 77 | Confident | 77.1 | Confident | 115 Ų | 115 | 96.2 Ų | 96.2 | 60% | 0.602 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.7 | -43.5 | 175.6 | -138.4 | 74.5 | 0 | 0 | 0 | 111.7 | I118 V119 N125 V126 | I118-L122 WeakPolarHBondContact O-CB 3.48Å; I118-L122 PolarHBondContact O-N 2.99Å; V119-L122 PolarHBondContact O-N 3.29Å; L122-N125 PolarHBondContact O-N 3.31Å; L122-V126 WeakPolarHBondContact O-CG2 3.44Å; L122-V126 PolarHBondContact O-N 3.36Å |
| 123 | N | 76.1 | Confident | 77.1 | Confident | 101 Ų | 101 | 96.9 Ų | 96.9 | 54% | 0.54 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.8 | -43.9 | -179.6 | -154 | 42.8 | 0 | 0 | 0 | 111.3 | V119 I120 N125 V126 D127 | V119-N123 WeakPolarHBondContact O-CB 3.4Å; V119-N123 PolarHBondContact O-N 2.93Å; I120-N123 PolarHBondContact O-N 3.45Å; N123-N125 VanDerWaalsContact C-N 3.31Å; N123-N125 PolarHBondContact O-N 3.01Å; N123-V126 PolarHBondContact O-N 3.1Å; N123-D127 PolarHBondContact O-N 2.98Å |
| 124 | R | 77.8 | Confident | 77.2 | Confident | 162 Ų | 162 | 98.8 Ų | 98.8 | 61% | 0.611 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.3 | -39.4 | 174.8 | -172.2 | -170.2 | -65.8 | 177.7 | 0.8 | 112.2 | I120 T128 | I120-R124 WeakPolarHBondContact O-CB 3.21Å; I120-R124 PolarHBondContact O-N 3.4Å; R124-T128 WeakPolarHBondContact O-CB 3.34Å; R124-T128 PolarHBondContact O-N 3.46Å; R124-T128 PolarHBondContact O-OG1 3.17Å |
| 125 | N | 82.3 | Confident | 77.4 | Confident | 97 Ų | 97 | 101 Ų | 101 | 52% | 0.519 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.2 | -43.2 | 178.1 | -175.4 | 66.3 | 0 | 0 | 0 | 111.7 | D121 L122 N123 T128 E129 | D121-N125 WeakPolarHBondContact O-CB 3.35Å; D121-N125 PolarHBondContact O-N 3.03Å; L122-N125 PolarHBondContact O-N 3.31Å; N123-N125 VanDerWaalsContact C-N 3.31Å; N123-N125 PolarHBondContact O-N 3.01Å; N125-T128 PolarHBondContact O-N 2.97Å; N125-E129 PolarHBondContact O-N 3.32Å |
| 126 | V | 83.5 | Confident | 76.7 | Confident | 69 Ų | 69 | 103.7 Ų | 103.7 | 42% | 0.418 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.5 | -46 | 175.8 | 171.7 | 0 | 0 | 0 | 0 | 111.4 | L122 N123 T128 E129 I130 | L122-V126 WeakPolarHBondContact O-CG2 3.44Å; L122-V126 PolarHBondContact O-N 3.36Å; N123-V126 PolarHBondContact O-N 3.1Å; V126-T128 PolarHBondContact O-N 3.04Å; V126-E129 PolarHBondContact O-N 2.9Å; V126-I130 HydrophobicContact CG1-CD1 3.65Å; V126-I130 HydrophobicContact CG1-CG1 4.28Å; V126-I130 WeakPolarHBondContact O-CG1 3.27Å; V126-I130 PolarHBondContact O-N 2.97Å |
| 127 | D | 79.3 | Confident | 77 | Confident | 91 Ų | 91 | 104 Ų | 104 | 49% | 0.487 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -59.1 | -38.2 | 176.6 | -71.4 | -31 | 0 | 0 | 0 | 111.9 | N123 S131 | N123-D127 PolarHBondContact O-N 2.98Å; D127-S131 VanDerWaalsContact O-CB 3.27Å; D127-S131 WeakPolarHBondContact O-CB 3.49Å; D127-S131 PolarHBondContact O-N 3.3Å |
| 128 | T | 80.8 | Confident | 77.4 | Confident | 64 Ų | 64 | 106.3 Ų | 106.3 | 39% | 0.393 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -66.1 | -42.9 | 177.2 | -58.2 | 0 | 0 | 0 | 0 | 111.6 | R124 N125 V126 S131 K132 | R124-T128 WeakPolarHBondContact O-CB 3.34Å; R124-T128 PolarHBondContact O-N 3.46Å; R124-T128 PolarHBondContact O-OG1 3.17Å; N125-T128 PolarHBondContact O-N 2.97Å; V126-T128 PolarHBondContact O-N 3.04Å; T128-S131 PolarHBondContact O-N 3.23Å; T128-K132 WeakPolarHBondContact O-CG 3.38Å; T128-K132 PolarHBondContact O-N 3.5Å; T128-K132 VanDerWaalsContact O-N 3.12Å |
| 129 | E | 81.6 | Confident | 77.5 | Confident | 81 Ų | 81 | 106.6 Ų | 106.6 | 38% | 0.379 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -68.8 | -40.8 | 177.4 | -74.3 | -62.2 | 122.1 | 0 | 0 | 112.5 | N125 V126 S131 K132 M133 | N125-E129 PolarHBondContact O-N 3.32Å; V126-E129 PolarHBondContact O-N 2.9Å; E129-S131 VanDerWaalsContact C-N 3.33Å; E129-S131 PolarHBondContact O-N 2.76Å; E129-K132 PolarHBondContact O-N 3.31Å; E129-K132 IonicContact OE1-NZ 3.19Å; E129-K132 PolarHBondContact OE1-NZ 3.1Å; E129-M133 WeakPolarHBondContact O-CG 3.42Å; E129-M133 PolarHBondContact O-N 3.04Å; E129-M133 VanDerWaalsContact O-N 3.1Å |
| 130 | I | 81.3 | Confident | 77.7 | Confident | 104 Ų | 104 | 106.9 Ų | 106.9 | 53% | 0.533 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -61.5 | -43.4 | 174.4 | -68.3 | 170.5 | 0 | 0 | 0 | 110.5 | V126 K132 M133 S134 | V126-I130 HydrophobicContact CG1-CD1 3.65Å; V126-I130 HydrophobicContact CG1-CG1 4.28Å; V126-I130 WeakPolarHBondContact O-CG1 3.27Å; V126-I130 PolarHBondContact O-N 2.97Å; I130-K132 VanDerWaalsContact C-N 3.34Å; I130-K132 PolarHBondContact O-N 3.48Å; I130-M133 PolarHBondContact O-N 3.45Å; I130-S134 PolarHBondContact O-N 3.12Å; I130-S134 VanDerWaalsContact O-N 3.1Å |
| 131 | S | 78.7 | Confident | 77.8 | Confident | 68 Ų | 68 | 107.6 Ų | 107.6 | 48% | 0.476 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -62.2 | -39.6 | 178.2 | -168 | 0 | 0 | 0 | 0 | 112.4 | D127 T128 E129 S134 | D127-S131 VanDerWaalsContact O-CB 3.27Å; D127-S131 WeakPolarHBondContact O-CB 3.49Å; D127-S131 PolarHBondContact O-N 3.3Å; T128-S131 PolarHBondContact O-N 3.23Å; E129-S131 VanDerWaalsContact C-N 3.33Å; E129-S131 PolarHBondContact O-N 2.76Å; S131-S134 PolarHBondContact O-N 3.49Å |
| 132 | K | 82.8 | Confident | 77.9 | Confident | 128 Ų | 128 | 108.4 Ų | 108.4 | 56% | 0.557 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -63.8 | -39.9 | 174.1 | -71.6 | 172.7 | -170.9 | 167.4 | 0 | 112.7 | T128 E129 I130 S134 M135 | T128-K132 WeakPolarHBondContact O-CG 3.38Å; T128-K132 PolarHBondContact O-N 3.5Å; T128-K132 VanDerWaalsContact O-N 3.12Å; E129-K132 PolarHBondContact O-N 3.31Å; E129-K132 IonicContact OE1-NZ 3.19Å; E129-K132 PolarHBondContact OE1-NZ 3.1Å; I130-K132 VanDerWaalsContact C-N 3.34Å; I130-K132 PolarHBondContact O-N 3.48Å; K132-S134 VanDerWaalsContact C-N 3.3Å; K132-S134 PolarHBondContact O-N 2.72Å; K132-M135 PolarHBondContact O-N 3.34Å |
| 133 | M | 76.2 | Confident | 77.9 | Confident | 152 Ų | 152 | 107.9 Ų | 107.9 | 75% | 0.749 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -69.5 | -26.6 | 178.8 | -73.2 | 178.8 | 164.9 | 0 | 0 | 113 | E129 I130 | E129-M133 WeakPolarHBondContact O-CG 3.42Å; E129-M133 PolarHBondContact O-N 3.04Å; E129-M133 VanDerWaalsContact O-N 3.1Å; I130-M133 PolarHBondContact O-N 3.45Å |
| 134 | S | 78 | Confident | 78.1 | Confident | 100 Ų | 100 | 108.5 Ų | 108.5 | 70% | 0.699 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -10.3 | 179.9 | -171.5 | 0 | 0 | 0 | 0 | 114.4 | I130 S131 K132 | I130-S134 PolarHBondContact O-N 3.12Å; I130-S134 VanDerWaalsContact O-N 3.1Å; S131-S134 PolarHBondContact O-N 3.49Å; K132-S134 VanDerWaalsContact C-N 3.3Å; K132-S134 PolarHBondContact O-N 2.72Å |
| 135 | M | 72.4 | Confident | 78.1 | Confident | 167 Ų | 167 | 104 Ų | 104 | 82% | 0.823 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.6 | -1 | -177 | -81.6 | 176.7 | 64.5 | 0 | 0 | 114.5 | K132 | K132-M135 PolarHBondContact O-N 3.34Š|
| 136 | G | 60.4 | Low | 77.7 | Confident | 127 Ų | 127 | 104.6 Ų | 104.6 | 100% | 1.309 | 62% | 0.62 | S | S | * | * | trans | -99.6 | 0 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.2 |
Retrieved 136 of 136 residues in 31.1 ms
(Link to these results)