| 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 | 47.2 | Very low | 69.7 | Low | 246 Ų | 246 | 107.2 Ų | 107.2 | 100% | 1.212 | 65% | 0.648 | S | S | * | * | 0 | 27.9 | 0 | -71.4 | -106 | -108.3 | 0 | 0 | 112.8 | |||||
| 2 | A | 55.6 | Low | 70.7 | Confident | 87 Ų | 87 | 109 Ų | 109 | 72% | 0.719 | 64% | 0.644 | S | S | * | * | trans | -118.8 | 10.2 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 3 | G | 57.6 | Low | 71.3 | Confident | 67 Ų | 67 | 115 Ų | 115 | 69% | 0.691 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -90.2 | -9.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 4 | N | 66.8 | Low | 71.6 | Confident | 132 Ų | 132 | 110.6 Ų | 110.6 | 71% | 0.706 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -101 | -20.7 | -171.1 | -112 | 9.2 | 0 | 0 | 0 | 114.6 | Y7 A8 | N4-Y7 PolarHBondContact O-N 2.92Å; N4-A8 PolarHBondContact O-N 3.45Å; N4-A8 VanDerWaalsContact O-N 3.12Å |
| 5 | E | 77.1 | Confident | 71.9 | Confident | 151 Ų | 151 | 113 Ų | 113 | 71% | 0.706 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -71.3 | -35.1 | -177.7 | -75 | 174.8 | 89 | 0 | 0 | 112.6 | Y7 A8 S9 | E5-Y7 VanDerWaalsContact C-N 3.34Å; E5-Y7 PolarHBondContact O-N 2.8Å; E5-A8 PolarHBondContact O-N 2.88Å; E5-S9 WeakPolarHBondContact O-CB 3.12Å; E5-S9 PolarHBondContact O-N 3.38Å |
| 6 | A | 74.3 | Confident | 72.3 | Confident | 77 Ų | 77 | 114 Ų | 114 | 64% | 0.636 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -65.9 | -36.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A10 | A6-A10 WeakPolarHBondContact O-CB 3.18Å; A6-A10 PolarHBondContact O-N 2.74Å; A6-A10 VanDerWaalsContact O-N 3.09Å |
| 7 | Y | 76.6 | Confident | 72 | Confident | 161 Ų | 161 | 113.2 Ų | 113.2 | 63% | 0.631 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -72.5 | -41.9 | 177.3 | -172.7 | -103 | 0 | 0 | 0 | 111.8 | N4 E5 S9 A10 I11 | N4-Y7 PolarHBondContact O-N 2.92Å; E5-Y7 VanDerWaalsContact C-N 3.34Å; E5-Y7 PolarHBondContact O-N 2.8Å; Y7-S9 PolarHBondContact O-N 2.73Å; Y7-A10 PolarHBondContact O-N 3.49Å; Y7-I11 HydrophobicContact CD1-CD1 3.94Å; Y7-I11 HydrophobicContact CE1-CD1 3.34Å; Y7-I11 HydrophobicContact CE1-CG1 4.3Å; Y7-I11 HydrophobicContact CE2-CD1 4.48Å; Y7-I11 PolarHBondContact O-N 2.94Å; Y7-I11 VanDerWaalsContact O-N 3.12Å |
| 8 | A | 77.6 | Confident | 71.6 | Confident | 57 Ų | 57 | 113 Ų | 113 | 47% | 0.471 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -60.5 | -44.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | N4 E5 A10 I11 E12 | N4-A8 PolarHBondContact O-N 3.45Å; N4-A8 VanDerWaalsContact O-N 3.12Å; E5-A8 PolarHBondContact O-N 2.88Å; A8-A10 PolarHBondContact O-N 3.15Å; A8-I11 PolarHBondContact O-N 2.79Å; A8-E12 PolarHBondContact O-N 2.91Å; A8-E12 VanDerWaalsContact O-N 3.13Å |
| 9 | S | 77.9 | Confident | 71.1 | Confident | 76 Ų | 76 | 110.6 Ų | 110.6 | 53% | 0.531 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -66.1 | -35.5 | 178 | -166.7 | 0 | 0 | 0 | 0 | 113.1 | E5 Y7 E12 R13 | E5-S9 WeakPolarHBondContact O-CB 3.12Å; E5-S9 PolarHBondContact O-N 3.38Å; Y7-S9 PolarHBondContact O-N 2.73Å; S9-E12 PolarHBondContact O-N 3.02Å; S9-R13 PolarHBondContact O-N 3.08Å; S9-R13 VanDerWaalsContact O-N 3.1Å |
| 10 | A | 74.6 | Confident | 70.6 | Confident | 58 Ų | 58 | 113.9 Ų | 113.9 | 48% | 0.479 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -67.4 | -41.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A6 Y7 A8 E12 A14 | A6-A10 WeakPolarHBondContact O-CB 3.18Å; A6-A10 PolarHBondContact O-N 2.74Å; A6-A10 VanDerWaalsContact O-N 3.09Å; Y7-A10 PolarHBondContact O-N 3.49Å; A8-A10 PolarHBondContact O-N 3.15Å; A10-E12 VanDerWaalsContact C-N 3.34Å; A10-A14 PolarHBondContact O-N 2.76Å; A10-A14 VanDerWaalsContact O-N 3.07Å |
| 11 | I | 81.5 | Confident | 69.9 | Low | 67 Ų | 67 | 117.2 Ų | 117.2 | 34% | 0.344 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -65.3 | -39.1 | 175.5 | -70.7 | -178 | 0 | 0 | 0 | 111 | Y7 A8 A14 K15 | Y7-I11 HydrophobicContact CD1-CD1 3.94Å; Y7-I11 HydrophobicContact CE1-CD1 3.34Å; Y7-I11 HydrophobicContact CE1-CG1 4.3Å; Y7-I11 HydrophobicContact CE2-CD1 4.48Å; Y7-I11 PolarHBondContact O-N 2.94Å; Y7-I11 VanDerWaalsContact O-N 3.12Å; A8-I11 PolarHBondContact O-N 2.79Å; I11-A14 PolarHBondContact O-N 2.84Å; I11-K15 HydrophobicContact CG2-CD 4.42Å; I11-K15 WeakPolarHBondContact O-CG 3.46Å; I11-K15 PolarHBondContact O-N 3.44Å |
| 12 | E | 81.6 | Confident | 70.2 | Confident | 129 Ų | 129 | 110.2 Ų | 110.2 | 60% | 0.603 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -69.2 | -37.2 | -178.8 | -154.1 | 148.8 | 103.7 | 0 | 0 | 112.4 | A8 S9 A10 K15 Q16 | A8-E12 PolarHBondContact O-N 2.91Å; A8-E12 VanDerWaalsContact O-N 3.13Å; S9-E12 PolarHBondContact O-N 3.02Å; A10-E12 VanDerWaalsContact C-N 3.34Å; E12-K15 PolarHBondContact O-N 2.93Å; E12-Q16 PolarHBondContact O-N 3.18Å; E12-Q16 VanDerWaalsContact O-N 3.1Å |
| 13 | R | 78.4 | Confident | 70 | Confident | 187 Ų | 187 | 113.1 Ų | 113.1 | 71% | 0.706 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -63.4 | -41.3 | 168.8 | -99.3 | -170 | -179.9 | -177.2 | 2.6 | 112.5 | S9 K15 Q16 I17 | S9-R13 PolarHBondContact O-N 3.08Å; S9-R13 VanDerWaalsContact O-N 3.1Å; R13-K15 VanDerWaalsContact C-N 3.32Å; R13-K15 PolarHBondContact O-N 2.83Å; R13-Q16 PolarHBondContact O-N 3.39Å; R13-I17 WeakPolarHBondContact O-CG1 3.26Å; R13-I17 PolarHBondContact O-N 2.79Å; R13-I17 VanDerWaalsContact O-N 3.1Å |
| 14 | A | 75 | Confident | 69.4 | Low | 54 Ų | 54 | 115.6 Ų | 115.6 | 45% | 0.446 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -62.4 | -39.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A10 I11 I17 V18 | A10-A14 PolarHBondContact O-N 2.76Å; A10-A14 VanDerWaalsContact O-N 3.07Å; I11-A14 PolarHBondContact O-N 2.84Å; A14-I17 PolarHBondContact O-N 3.06Å; A14-V18 PolarHBondContact O-N 2.57Å |
| 15 | K | 76.6 | Confident | 68.5 | Low | 146 Ų | 146 | 117.2 Ų | 117.2 | 64% | 0.635 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -63.6 | -40.5 | 173.8 | -73.4 | 178 | 178.1 | 178.5 | 0 | 112.7 | I11 E12 R13 I17 V18 S19 | I11-K15 HydrophobicContact CG2-CD 4.42Å; I11-K15 WeakPolarHBondContact O-CG 3.46Å; I11-K15 PolarHBondContact O-N 3.44Å; E12-K15 PolarHBondContact O-N 2.93Å; R13-K15 VanDerWaalsContact C-N 3.32Å; R13-K15 PolarHBondContact O-N 2.83Å; K15-I17 PolarHBondContact O-N 3.02Å; K15-V18 PolarHBondContact O-N 2.8Å; K15-S19 WeakPolarHBondContact O-CB 3.38Å; K15-S19 PolarHBondContact O-N 3.38Å |
| 16 | Q | 78.1 | Confident | 66.9 | Low | 129 Ų | 129 | 118.1 Ų | 118.1 | 60% | 0.603 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66.1 | -35.1 | 176.7 | -76.1 | -174.1 | 17.1 | 0 | 0 | 113.1 | E12 R13 S19 K20 | E12-Q16 PolarHBondContact O-N 3.18Å; E12-Q16 VanDerWaalsContact O-N 3.1Å; R13-Q16 PolarHBondContact O-N 3.39Å; Q16-S19 PolarHBondContact O-N 3.3Å; Q16-K20 WeakPolarHBondContact O-CB 3.38Å; Q16-K20 PolarHBondContact O-N 2.77Å |
| 17 | I | 67.1 | Low | 65.3 | Low | 101 Ų | 101 | 117.7 Ų | 117.7 | 52% | 0.518 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -67.8 | -44 | 177.9 | -65.6 | 165.6 | 0 | 0 | 0 | 110.1 | R13 A14 K15 S19 K20 F21 | R13-I17 WeakPolarHBondContact O-CG1 3.26Å; R13-I17 PolarHBondContact O-N 2.79Å; R13-I17 VanDerWaalsContact O-N 3.1Å; A14-I17 PolarHBondContact O-N 3.06Å; K15-I17 PolarHBondContact O-N 3.02Å; I17-S19 VanDerWaalsContact C-N 3.32Å; I17-S19 PolarHBondContact O-N 3.46Å; I17-K20 PolarHBondContact O-N 3.18Å; I17-F21 HydrophobicContact CG2-CD2 4.03Å; I17-F21 HydrophobicContact CG2-CE2 4.01Å; I17-F21 VanDerWaalsContact O-CD2 3.29Å; I17-F21 WeakPolarHBondContact O-CD2 3.26Å; I17-F21 PolarHBondContact O-N 2.75Å |
| 18 | V | 65.2 | Low | 63.7 | Low | 109 Ų | 109 | 115.2 Ų | 115.2 | 66% | 0.661 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -65 | -36.5 | 175.7 | 177.5 | 0 | 0 | 0 | 0 | 111.7 | A14 K15 | A14-V18 PolarHBondContact O-N 2.57Å; K15-V18 PolarHBondContact O-N 2.8Å |
| 19 | S | 61.3 | Low | 62.1 | Low | 67 Ų | 67 | 118 Ų | 118 | 47% | 0.469 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -72.4 | -28.4 | 177 | -157.4 | 0 | 0 | 0 | 0 | 113.3 | K15 Q16 I17 | K15-S19 WeakPolarHBondContact O-CB 3.38Å; K15-S19 PolarHBondContact O-N 3.38Å; Q16-S19 PolarHBondContact O-N 3.3Å; I17-S19 VanDerWaalsContact C-N 3.32Å; I17-S19 PolarHBondContact O-N 3.46Å |
| 20 | K | 61 | Low | 60.6 | Low | 176 Ų | 176 | 120 Ų | 120 | 77% | 0.765 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -78 | -23 | 175.9 | -102.3 | -175.2 | 173.4 | 175.5 | 0 | 114.1 | Q16 I17 | Q16-K20 WeakPolarHBondContact O-CB 3.38Å; Q16-K20 PolarHBondContact O-N 2.77Å; I17-K20 PolarHBondContact O-N 3.18Å |
| 21 | F | 57.3 | Low | 59.2 | Low | 185 Ų | 185 | 124.8 Ų | 124.8 | 81% | 0.811 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -87.7 | -3.9 | 173.8 | -80.8 | -76.3 | 0 | 0 | 0 | 113.6 | I17 | I17-F21 HydrophobicContact CG2-CD2 4.03Å; I17-F21 HydrophobicContact CG2-CE2 4.01Å; I17-F21 VanDerWaalsContact O-CD2 3.29Å; I17-F21 WeakPolarHBondContact O-CD2 3.26Å; I17-F21 PolarHBondContact O-N 2.75Å |
| 22 | S | 52.3 | Low | 57.2 | Low | 98 Ų | 98 | 125.6 Ų | 125.6 | 69% | 0.685 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -107.2 | 11.5 | -178.6 | -169 | 0 | 0 | 0 | 0 | 114.5 | ||
| 23 | M | 51.3 | Low | 55.2 | Low | 149 Ų | 149 | 122.8 Ų | 122.8 | 73% | 0.734 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -142.5 | 69.8 | -176 | -76.7 | 171.8 | 158 | 0 | 0 | 111.3 | ||
| 24 | S | 45.4 | Very low | 53.7 | Low | 118 Ų | 118 | 122.1 Ų | 122.1 | 83% | 0.825 | 72% | 0.722 | S | S | * | * | trans | -170.4 | 92.6 | 165.2 | -70.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 25 | D | 47.5 | Very low | 52.3 | Low | 167 Ų | 167 | 123.9 Ų | 123.9 | 89% | 0.893 | 74% | 0.737 | S | S | * | * | trans | 179.9 | 107.9 | 137.9 | -150.6 | -119.2 | 0 | 0 | 0 | 109.1 | ||||
| 26 | D | 44.8 | Very low | 50.8 | Low | 169 Ų | 169 | 119.7 Ų | 119.7 | 90% | 0.904 | 74% | 0.735 | S | S | * | * | trans | -140.1 | 127.1 | 170.5 | -157.8 | -71.5 | 0 | 0 | 0 | 109.1 | ||||
| 27 | G | 40.7 | Very low | 49.6 | Very low | 68 Ų | 68 | 122.1 Ų | 122.1 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | trans | 94.6 | 123.9 | 170 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 28 | S | 43 | Very low | 48.4 | Very low | 109 Ų | 109 | 126.4 Ų | 126.4 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | cis | -176 | 148.1 | 16.7 | -178.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 29 | T | 44.1 | Very low | 47.6 | Very low | 117 Ų | 117 | 132.1 Ų | 132.1 | 72% | 0.718 | 77% | 0.773 | S | S | * | * | trans | 77.7 | 120.7 | 154.4 | -45 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 30 | T | 46.3 | Very low | 46.7 | Very low | 116 Ų | 116 | 134.7 Ų | 134.7 | 71% | 0.712 | 79% | 0.788 | S | S | * | * | cis | -171.4 | 149.2 | 13.1 | 23.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 31 | N | 44.3 | Very low | 45.9 | Very low | 160 Ų | 160 | 131.1 Ų | 131.1 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | trans | 82.1 | 96.2 | 147.4 | -79.4 | -47.8 | 0 | 0 | 0 | 123.3 | ||||
| 32 | G | 40.4 | Very low | 45.1 | Very low | 84 Ų | 84 | 130.9 Ų | 130.9 | 87% | 0.866 | 79% | 0.793 | S | S | * | * | 88.2 | 121.7 | 126.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 33 | G | 39.6 | Very low | 44.6 | Very low | 70 Ų | 70 | 134.6 Ų | 134.6 | 72% | 0.722 | 80% | 0.8 | S | S | * | * | cis | 173.8 | 151.9 | 0.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 34 | I | 46.4 | Very low | 44.2 | Very low | 172 Ų | 172 | 135.7 Ų | 135.7 | 88% | 0.882 | 80% | 0.803 | S | S | * | * | trans | 90.4 | 96.5 | 146.5 | -53.5 | 172.9 | 0 | 0 | 0 | 120.3 | ||||
| 35 | A | 46.3 | Very low | 44.1 | Very low | 92 Ų | 92 | 136.8 Ų | 136.8 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | 63 | 135.9 | 128.9 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 36 | G | 44.7 | Very low | 43.6 | Very low | 58 Ų | 58 | 135.5 Ų | 135.5 | 60% | 0.598 | 79% | 0.793 | S | S | * | * | cis | 157 | 146.4 | 0.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 37 | M | 52.4 | Low | 43.4 | Very low | 179 Ų | 179 | 134.9 Ų | 134.9 | 88% | 0.882 | 79% | 0.789 | S | S | * | * | trans | 71.8 | 144.4 | 152.9 | -50.5 | 99 | -178.9 | 0 | 0 | 119.4 | ||||
| 38 | K | 42.4 | Very low | 43.1 | Very low | 191 Ų | 191 | 140.4 Ų | 140.4 | 83% | 0.83 | 80% | 0.795 | S | S | * | * | cis | -177.5 | 119.7 | -18.4 | 179.8 | 171.9 | -178.5 | -179.1 | 0 | 106.2 | ||||
| 39 | R | 47.8 | Very low | 42.8 | Very low | 230 Ų | 230 | 138 Ų | 138 | 87% | 0.868 | 78% | 0.781 | S | S | * | * | trans | 12.5 | 171.3 | 140.9 | -72.3 | -170.1 | -151.3 | -157.9 | 4.9 | 121.7 | ||||
| 40 | P | 43.2 | Very low | 42.4 | Very low | 120 Ų | 120 | 138.7 Ų | 138.7 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | cis | -141.3 | -175.3 | -40.6 | 40.3 | -21.5 | 0 | 0 | 0 | 112.9 | ||||
| 41 | A | 43.2 | Very low | 42.2 | Very low | 101 Ų | 101 | 138.2 Ų | 138.2 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | trans | -78.8 | 162.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 42 | Q | 41.4 | Very low | 41.8 | Very low | 181 Ų | 181 | 137.6 Ų | 137.6 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | trans | -137.6 | 133.2 | 154.7 | -170.8 | 171.6 | -23.1 | 0 | 0 | 110.1 | ||||
| 43 | E | 40.9 | Very low | 41.7 | Very low | 175 Ų | 175 | 142 Ų | 142 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | -65 | 154.2 | 176.4 | -65.7 | 152.4 | 108.2 | 0 | 0 | 112.5 | ||||
| 44 | E | 43.8 | Very low | 41.8 | Very low | 173 Ų | 173 | 149.8 Ų | 149.8 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | -168.7 | 122.5 | 128.3 | -105.9 | -171.6 | 123.4 | 0 | 0 | 113.3 | |||||
| 45 | N | 42.4 | Very low | 41.8 | Very low | 141 Ų | 141 | 145.6 Ų | 145.6 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | 81.7 | 137.3 | 129 | -133.8 | -17.6 | 0 | 0 | 0 | 122.6 | |||||
| 46 | N | 37.7 | Very low | 41.9 | Very low | 140 Ų | 140 | 148.4 Ų | 148.4 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | trans | -85 | 178.5 | -168 | -75.1 | -66.1 | 0 | 0 | 0 | 114.1 | ||||
| 47 | N | 39.8 | Very low | 41.8 | Very low | 156 Ų | 156 | 150.9 Ų | 150.9 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | trans | 84.6 | 144.4 | 161.9 | -79.1 | 9.5 | 0 | 0 | 0 | 115.6 | ||||
| 48 | F | 35.4 | Very low | 41.8 | Very low | 184 Ų | 184 | 150.6 Ų | 150.6 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | cis | 176.2 | 147.9 | -1.2 | 163.3 | -105 | 0 | 0 | 0 | 104.9 | ||||
| 49 | A | 37 | Very low | 41.8 | Very low | 59 Ų | 59 | 149 Ų | 149 | 49% | 0.488 | 77% | 0.765 | S | S | . | * | trans | 57 | 115.8 | 160 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 50 | T | 35.2 | Very low | 42 | Very low | 131 Ų | 131 | 147.5 Ų | 147.5 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | 67.7 | 127.5 | 81.9 | -51.1 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 51 | T | 41.9 | Very low | 42.1 | Very low | 105 Ų | 105 | 148.3 Ų | 148.3 | 64% | 0.644 | 77% | 0.768 | S | S | * | * | trans | 99.9 | 99 | 154.9 | -55.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 52 | E | 35.3 | Very low | 41.8 | Very low | 148 Ų | 148 | 148.6 Ų | 148.6 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | 62.4 | 142.7 | 125.8 | -63.4 | -171.2 | 79.2 | 0 | 0 | 123.5 | |||||
| 53 | K | 39.8 | Very low | 41.9 | Very low | 176 Ų | 176 | 144.4 Ų | 144.4 | 77% | 0.765 | 77% | 0.766 | S | S | * | * | trans | 91.5 | 94.2 | 149.3 | -75.2 | 158.1 | -174.8 | 173.8 | 0 | 120 | ||||
| 54 | R | 41.9 | Very low | 42 | Very low | 233 Ų | 233 | 141.1 Ų | 141.1 | 88% | 0.879 | 77% | 0.769 | S | S | * | * | 39.2 | 161.3 | 110 | -103.7 | -166.3 | 155.6 | -143.1 | -0.7 | 119.4 | |||||
| 55 | P | 45.2 | Very low | 42.1 | Very low | 85 Ų | 85 | 138.1 Ų | 138.1 | 55% | 0.552 | 77% | 0.773 | S | S | * | * | -140.7 | -159.4 | -51.2 | 31.1 | -6.5 | 0 | 0 | 0 | 112.6 | |||||
| 56 | L | 47.8 | Very low | 42.4 | Very low | 151 Ų | 151 | 140.2 Ų | 140.2 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | 88.2 | 131.7 | 161.5 | -51.4 | 178.7 | 0 | 0 | 0 | 114.2 | ||||
| 57 | V | 44.4 | Very low | 42.8 | Very low | 109 Ų | 109 | 138.2 Ų | 138.2 | 66% | 0.661 | 78% | 0.781 | S | S | * | * | cis | -163.5 | 145.5 | 22.2 | -106 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 58 | M | 52.3 | Low | 43.2 | Very low | 174 Ų | 174 | 135.9 Ų | 135.9 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | -177 | 123.1 | 95.8 | -102.4 | 95.2 | -177.3 | 0 | 0 | 109.9 | |||||
| 59 | D | 41.8 | Very low | 43.9 | Very low | 157 Ų | 157 | 131.8 Ų | 131.8 | 84% | 0.84 | 78% | 0.784 | S | S | * | * | trans | -56 | 135.9 | 160 | -75.8 | -85.1 | 0 | 0 | 0 | 112.6 | ||||
| 60 | K | 51.1 | Low | 44.7 | Very low | 198 Ų | 198 | 139.9 Ų | 139.9 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | trans | -175.7 | 137 | 135.6 | -102.3 | 169.1 | -172.3 | -173.1 | 0 | 111.2 | ||||
| 61 | V | 46.2 | Very low | 45.5 | Very low | 138 Ų | 138 | 141.5 Ų | 141.5 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | trans | 90.4 | 64.4 | 165.3 | -156.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 62 | A | 37.1 | Very low | 45.8 | Very low | 107 Ų | 107 | 144.3 Ų | 144.3 | 88% | 0.884 | 82% | 0.815 | S | S | * | * | trans | -104.4 | 96.3 | 148 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 63 | A | 44.2 | Very low | 46.3 | Very low | 92 Ų | 92 | 146.1 Ų | 146.1 | 76% | 0.76 | 82% | 0.823 | S | S | * | * | trans | -170.5 | 71.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 64 | A | 42.1 | Very low | 46.5 | Very low | 107 Ų | 107 | 147.3 Ų | 147.3 | 88% | 0.884 | 83% | 0.829 | S | S | * | * | trans | -156.4 | 19.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 65 | A | 46.2 | Very low | 46.7 | Very low | 109 Ų | 109 | 144.7 Ų | 144.7 | 90% | 0.901 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -112.8 | 13.9 | -168.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 66 | E | 48.6 | Very low | 46.2 | Very low | 186 Ų | 186 | 144.4 Ų | 144.4 | 87% | 0.869 | 84% | 0.843 | S | S | * | * | S | Bend | trans | -129.2 | 8.8 | -172.1 | -143.9 | -174.2 | 112.2 | 0 | 0 | 116.7 | ||
| 67 | A | 46.6 | Very low | 45.8 | Very low | 97 Ų | 97 | 140.7 Ų | 140.7 | 80% | 0.802 | 84% | 0.842 | S | S | * | * | S | Bend | trans | -101.3 | -3.6 | -169.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 68 | A | 47.3 | Very low | 45.7 | Very low | 108 Ų | 108 | 141.7 Ų | 141.7 | 89% | 0.893 | 85% | 0.854 | S | S | * | * | S | Bend | trans | -101.3 | 0.8 | -170 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 69 | A | 50.2 | Low | 45.3 | Very low | 97 Ų | 97 | 142.1 Ų | 142.1 | 80% | 0.802 | 85% | 0.853 | S | S | * | * | S | Bend | trans | -110.4 | 12.7 | -168.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 70 | R | 53.3 | Low | 45.5 | Very low | 230 Ų | 230 | 139.1 Ų | 139.1 | 87% | 0.868 | 84% | 0.843 | S | S | * | * | trans | -123.8 | 16.5 | -169.5 | -70.4 | -159.1 | 169.3 | -141.1 | -1.2 | 118.2 | ||||
| 71 | I | 52.6 | Low | 45 | Very low | 164 Ų | 164 | 135.5 Ų | 135.5 | 84% | 0.841 | 84% | 0.837 | S | S | * | * | S | Bend | trans | -103.7 | -5 | -171.9 | -65.5 | 177 | 0 | 0 | 0 | 115.4 | ||
| 72 | N | 48.6 | Very low | 44.9 | Very low | 164 Ų | 164 | 134 Ų | 134 | 88% | 0.877 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -114.7 | 30.6 | -174.2 | -151.6 | 64.3 | 0 | 0 | 0 | 116.6 | ||
| 73 | Q | 46 | Very low | 45.1 | Very low | 186 Ų | 186 | 135.7 Ų | 135.7 | 87% | 0.869 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -135.9 | 61.8 | 179.2 | -158.7 | -171.1 | 79.7 | 0 | 0 | 112.5 | ||
| 74 | K | 44.4 | Very low | 45.2 | Very low | 201 Ų | 201 | 139.2 Ų | 139.2 | 87% | 0.874 | 84% | 0.837 | S | S | * | * | trans | -173.6 | 83.8 | 159.2 | -127.6 | 178.8 | 177.3 | -164.8 | 0 | 111.9 | ||||
| 75 | L | 44.6 | Very low | 45.8 | Very low | 179 Ų | 179 | 139.3 Ų | 139.3 | 94% | 0.937 | 83% | 0.829 | S | S | * | * | trans | -173 | 120.5 | 152.1 | -102.3 | 141.3 | 0 | 0 | 0 | 110.7 | ||||
| 76 | G | 35.9 | Very low | 45.9 | Very low | 78 Ų | 78 | 139.7 Ų | 139.7 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | trans | 42.8 | 115.1 | 156.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 77 | G | 38.2 | Very low | 45.4 | Very low | 73 Ų | 73 | 136.7 Ų | 136.7 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | cis | 89 | 117.7 | 45.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 78 | S | 42.9 | Very low | 45.2 | Very low | 131 Ų | 131 | 137.2 Ų | 137.2 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | trans | 102.6 | 106.3 | 167.7 | -29.4 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 79 | Q | 43.3 | Very low | 44.9 | Very low | 182 Ų | 182 | 139.5 Ų | 139.5 | 85% | 0.85 | 81% | 0.812 | S | S | * | * | trans | -57.9 | -177 | 157 | -95.2 | -167.4 | 68.6 | 0 | 0 | 113.3 | ||||
| 80 | P | 46.1 | Very low | 44.7 | Very low | 95 Ų | 95 | 140.6 Ų | 140.6 | 62% | 0.617 | 81% | 0.805 | S | S | * | * | cis | -140 | 170.1 | -7.1 | 22.5 | 3.4 | 0 | 0 | 0 | 116.6 | ||||
| 81 | T | 40.7 | Very low | 44.1 | Very low | 121 Ų | 121 | 137 Ų | 137 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | trans | 57.8 | 132.2 | 139.6 | 60.4 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 82 | S | 43.6 | Very low | 43.9 | Very low | 106 Ų | 106 | 134.5 Ų | 134.5 | 74% | 0.741 | 80% | 0.8 | S | S | * | * | trans | 89.2 | 143.3 | 146.1 | 5.8 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 83 | T | 41.4 | Very low | 44.3 | Very low | 144 Ų | 144 | 132.3 Ų | 132.3 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | trans | 100.5 | 132.1 | 158.4 | 5.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 84 | L | 46.9 | Very low | 44.8 | Very low | 165 Ų | 165 | 126.1 Ų | 126.1 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | -64.8 | 174.9 | -170.9 | -81.5 | 158.7 | 0 | 0 | 0 | 114.8 | ||||
| 85 | P | 55.8 | Low | 45.6 | Very low | 109 Ų | 109 | 121.6 Ų | 121.6 | 71% | 0.708 | 77% | 0.772 | S | S | * | * | trans | -84.8 | 176.5 | -148.8 | 38.9 | -36.3 | 0 | 0 | 0 | 114.1 | ||||
| 86 | P | 47.3 | Very low | 47.4 | Very low | 117 Ų | 117 | 122.2 Ų | 122.2 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | -148.9 | 165.1 | 108.4 | 35 | -15.9 | 0 | 0 | 0 | 116.6 | |||||
| 87 | T | 38.8 | Very low | 49.8 | Very low | 124 Ų | 124 | 123 Ų | 123 | 76% | 0.761 | 75% | 0.751 | S | S | * | * | trans | -30.7 | 153.1 | 160.5 | -4 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 88 | S | 41.9 | Very low | 52.4 | Low | 107 Ų | 107 | 122 Ų | 122 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | trans | 77 | 97.1 | 149.9 | -58.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 89 | N | 41.4 | Very low | 54.8 | Low | 156 Ų | 156 | 119.6 Ų | 119.6 | 83% | 0.834 | 71% | 0.71 | S | S | * | * | trans | 175.2 | 146.3 | 142.5 | -106.7 | -12.8 | 0 | 0 | 0 | 108 | ||||
| 90 | N | 45.8 | Very low | 57 | Low | 121 Ų | 121 | 112.9 Ų | 112.9 | 65% | 0.647 | 68% | 0.681 | S | S | * | * | cis | -165.2 | 112.9 | -9.1 | -165.7 | -2.4 | 0 | 0 | 0 | 103.2 | S92 | N90-S92 PolarHBondContact O-N 3.35Š| ||
| 91 | N | 40.3 | Very low | 59.1 | Low | 153 Ų | 153 | 114.7 Ų | 114.7 | 82% | 0.818 | 68% | 0.681 | S | S | * | * | trans | 28.9 | 87.2 | 135.1 | -150.7 | 18.1 | 0 | 0 | 0 | 117.1 | ||||
| 92 | S | 49.3 | Very low | 61.4 | Low | 113 Ų | 113 | 110.7 Ų | 110.7 | 79% | 0.79 | 66% | 0.657 | S | S | * | * | trans | -167.7 | 28 | 160 | -68.3 | 0 | 0 | 0 | 0 | 113.7 | N90 | N90-S92 PolarHBondContact O-N 3.35Š| ||
| 93 | V | 55.3 | Low | 63.5 | Low | 118 Ų | 118 | 108.1 Ų | 108.1 | 72% | 0.715 | 64% | 0.642 | S | S | * | * | trans | -107.6 | 15.4 | -171.6 | -163.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 94 | G | 56.2 | Low | 65.7 | Low | 56 Ų | 56 | 101.3 Ų | 101.3 | 58% | 0.577 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -90.4 | -6.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 95 | S | 62.7 | Low | 67.6 | Low | 106 Ų | 106 | 95.4 Ų | 95.4 | 74% | 0.741 | 57% | 0.572 | S | S | * | * | S | Bend | trans | -139.7 | 6.9 | -171.1 | -157 | 0 | 0 | 0 | 0 | 115.2 | V97 | S95-V97 PolarHBondContact O-N 2.96Š|
| 96 | R | 82.7 | Confident | 69 | Low | 192 Ų | 192 | 93.1 Ų | 93.1 | 73% | 0.725 | 55% | 0.554 | S | S | * | * | trans | -78.7 | 115.7 | 175 | -172.8 | 175.3 | 175.1 | -164.6 | -1.4 | 109.3 | V98 P149 | R96-V98 HydrophobicContact CG-CG2 4.21Å; R96-V98 PolarHBondContact O-N 3.25Å; R96-P149 WeakPolarHBondContact O-CD 3.49Å | ||
| 97 | V | 86.3 | Confident | 70.8 | Confident | 95 Ų | 95 | 95 Ų | 95 | 58% | 0.576 | 55% | 0.545 | S | S | * | . | trans | -67.1 | 121.9 | 165.4 | -177.6 | 0 | 0 | 0 | 0 | 108 | S95 T146 G147 | S95-V97 PolarHBondContact O-N 2.96Å; V97-T146 HydrophobicContact CG1-CG2 3.65Å; V97-G147 CarbonylContact C-O 3.35Å; V97-G147 WeakPolarHBondContact CA-O 3.43Å | ||
| 98 | V | 91.7 | Very high | 73.1 | Confident | 50 Ų | 50 | 90.6 Ų | 90.6 | 30% | 0.303 | 52% | 0.515 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 154 | 176.7 | -176 | 0 | 0 | 0 | 0 | 107.7 | R96 T146 G147 I152 | R96-V98 HydrophobicContact CG-CG2 4.21Å; R96-V98 PolarHBondContact O-N 3.25Å; V98-T146 WeakPolarHBondContact O-CA 3.29Å; V98-G147 PolarHBondContact N-O 3.48Å; V98-G147 PolarHBondContact O-N 2.9Å; V98-I152 HydrophobicContact CB-CD1 4.06Å; V98-I152 VanDerWaalsContact O-CD1 3.31Å; V98-I152 WeakPolarHBondContact O-CD1 3.4Å |
| 99 | T | 92.6 | Very high | 75.4 | Confident | 82 Ų | 82 | 85.6 Ų | 85.6 | 50% | 0.503 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 129.1 | 169.1 | -61.2 | 0 | 0 | 0 | 0 | 108.2 | T144 L145 T146 | T99-T144 HydrophobicContact CG2-CG2 3.34Å; T99-L145 CarbonylContact C-O 3.58Å; T99-L145 VanDerWaalsContact CA-O 3.29Å; T99-L145 WeakPolarHBondContact CA-O 3.4Å; T99-T146 WeakPolarHBondContact CG2-OG1 3.12Å; T99-T146 PolarHBondContact OG1-OG1 3.11Å; T99-T146 VanDerWaalsContact OG1-OG1 3.06Å |
| 100 | T | 91.2 | Very high | 77.6 | Confident | 40 Ų | 40 | 80.8 Ų | 80.8 | 25% | 0.245 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 141.1 | 179.6 | -53.5 | 0 | 0 | 0 | 0 | 109.9 | L145 K156 | T100-L145 PolarHBondContact N-O 2.93Å; T100-L145 PolarHBondContact O-N 3.43Å; T100-K156 VanDerWaalsContact CG2-NZ 3.29Å |
| 101 | E | 90.3 | Very high | 79.5 | Confident | 133 Ų | 133 | 79.5 Ų | 79.5 | 62% | 0.621 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104 | 136.3 | 177.8 | -65.5 | -179.7 | 104.8 | 0 | 0 | 110.1 | T142 V143 T144 | E101-T142 HydrophobicContact CB-CG2 3.74Å; E101-T142 HydrophobicContact CG-CG2 4.08Å; E101-V143 CarbonylContact C-O 3.19Å; E101-V143 WeakPolarHBondContact CA-O 3.32Å; E101-T144 HydrophobicContact CG-CG2 4.4Å |
| 102 | T | 87.5 | Confident | 81.8 | Confident | 38 Ų | 38 | 72.3 Ų | 72.3 | 23% | 0.233 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 134.7 | 177 | -50.1 | 0 | 0 | 0 | 0 | 109.1 | V143 K156 | T102-V143 PolarHBondContact N-O 3.42Å; T102-V143 PolarHBondContact O-N 2.96Å; T102-K156 WeakPolarHBondContact OG1-CE 3.39Å |
| 103 | A | 88.8 | Confident | 83.8 | Confident | 52 Ų | 52 | 69.5 Ų | 69.5 | 43% | 0.43 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 135 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | E140 | A103-E140 HydrophobicContact CB-CB 4.27Å |
| 104 | I | 87.2 | Confident | 85.3 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 129.8 | 174.6 | -57.1 | -179.4 | 0 | 0 | 0 | 109 | D106 V109 V112 E140 R141 V143 I159 I163 | I104-D106 PolarHBondContact O-N 3.48Å; I104-V109 HydrophobicContact CB-CG2 4.37Å; I104-V109 HydrophobicContact CG2-CG2 4.02Å; I104-V112 HydrophobicContact CD1-CG1 4.41Å; I104-V112 HydrophobicContact CD1-CG2 4.32Å; I104-E140 CarbonylContact O-C 3.25Å; I104-E140 WeakPolarHBondContact O-CA 3.44Å; I104-R141 PolarHBondContact N-O 3.5Å; I104-R141 PolarHBondContact O-N 3.27Å; I104-V143 HydrophobicContact CB-CG2 4.42Å; I104-V143 HydrophobicContact CD1-CB 4.21Å; I104-V143 HydrophobicContact CD1-CG2 3.3Å; I104-V143 HydrophobicContact CG1-CG2 3.76Å; I104-I159 HydrophobicContact CD1-CD1 4.42Å; I104-I159 HydrophobicContact CD1-CG2 3.35Å; I104-I159 HydrophobicContact CG1-CG2 3.95Å; I104-I163 HydrophobicContact CB-CD1 4.33Å; I104-I163 HydrophobicContact CD1-CD1 4.38Å; I104-I163 HydrophobicContact CG1-CD1 4.03Å; I104-I163 HydrophobicContact CG2-CD1 3.71Å; I104-I163 HydrophobicContact CG2-CG1 4.12Å |
| 105 | P | 86.6 | Confident | 86.7 | Confident | 42 Ų | 42 | 71.7 Ų | 71.7 | 27% | 0.273 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.4 | 136.3 | 174 | -23 | 31.9 | 0 | 0 | 0 | 112 | R107 Y108 | P105-R107 HydrophobicContact CB-CG 4.22Å; P105-R107 PolarHBondContact O-N 3.27Å; P105-Y108 HydrophobicContact CB-CD2 3.72Å; P105-Y108 HydrophobicContact CB-CE2 4.06Å; P105-Y108 HydrophobicContact CG-CD2 3.83Å; P105-Y108 HydrophobicContact CG-CE2 3.99Å; P105-Y108 PolarHBondContact O-N 2.79Å |
| 106 | D | 84.9 | Confident | 87.9 | Confident | 61 Ų | 61 | 71.1 Ų | 71.1 | 33% | 0.326 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -51.4 | -36.4 | -175.1 | -175.9 | 78.5 | 0 | 0 | 0 | 112.8 | I104 Y108 V109 P139 R141 | I104-D106 PolarHBondContact O-N 3.48Å; D106-Y108 PolarHBondContact O-N 3.09Å; D106-Y108 VanDerWaalsContact O-N 3.08Å; D106-V109 PolarHBondContact O-N 2.86Å; D106-V109 VanDerWaalsContact O-N 3.15Å; D106-P139 PolarHBondContact N-O 2.87Å; D106-R141 IonicContact OD1-CZ 3.12Å; D106-R141 IonicContact OD1-NE 2.73Å; D106-R141 PolarHBondContact OD1-NE 3.04Å; D106-R141 IonicContact OD1-NH2 2.74Å; D106-R141 PolarHBondContact OD1-NH2 3.42Å |
| 107 | R | 86.4 | Confident | 88.2 | Confident | 155 Ų | 155 | 62.6 Ų | 62.6 | 59% | 0.585 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -57.1 | -25.9 | 178.3 | 74.9 | 176.9 | -59.5 | -129.8 | 1 | 114.8 | P105 | P105-R107 HydrophobicContact CB-CG 4.22Å; P105-R107 PolarHBondContact O-N 3.27Å |
| 108 | Y | 87 | Confident | 88.4 | Confident | 32 Ų | 32 | 64.9 Ų | 64.9 | 13% | 0.125 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -103.4 | -13.7 | -177.1 | -55.4 | -61.3 | 0 | 0 | 0 | 112.9 | P105 D106 G110 L111 V112 I163 A166 | P105-Y108 HydrophobicContact CB-CD2 3.72Å; P105-Y108 HydrophobicContact CB-CE2 4.06Å; P105-Y108 HydrophobicContact CG-CD2 3.83Å; P105-Y108 HydrophobicContact CG-CE2 3.99Å; P105-Y108 PolarHBondContact O-N 2.79Å; D106-Y108 PolarHBondContact O-N 3.09Å; D106-Y108 VanDerWaalsContact O-N 3.08Å; Y108-G110 VanDerWaalsContact C-N 3.29Å; Y108-G110 PolarHBondContact O-N 3.01Å; Y108-L111 WeakPolarHBondContact O-CB 3.31Å; Y108-L111 PolarHBondContact O-N 3.45Å; Y108-V112 WeakPolarHBondContact O-CG2 3.45Å; Y108-V112 PolarHBondContact O-N 2.95Å; Y108-I163 HydrophobicContact CD2-CB 4.47Å; Y108-I163 HydrophobicContact CD2-CG1 4.36Å; Y108-I163 HydrophobicContact CD2-CG2 3.64Å; Y108-I163 HydrophobicContact CE2-CG2 3.69Å; Y108-I163 HydrophobicContact CG-CG1 4.32Å; Y108-I163 HydrophobicContact CG-CG2 4.1Å; Y108-A166 HydrophobicContact CD1-CB 3.46Å; Y108-A166 VanDerWaalsContact CD1-CB 3.46Å; Y108-A166 HydrophobicContact CE1-CB 3.75Å |
| 109 | V | 88.6 | Confident | 88.4 | Confident | 2 Ų | 2 | 65.5 Ų | 65.5 | 1% | 0.012 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -58.5 | -42.4 | -177.2 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | I104 D106 L111 V112 I113 I133 R141 | I104-V109 HydrophobicContact CB-CG2 4.37Å; I104-V109 HydrophobicContact CG2-CG2 4.02Å; D106-V109 PolarHBondContact O-N 2.86Å; D106-V109 VanDerWaalsContact O-N 3.15Å; V109-L111 PolarHBondContact O-N 3.32Å; V109-V112 PolarHBondContact O-N 2.93Å; V109-I113 HydrophobicContact CG1-CD1 3.66Å; V109-I113 HydrophobicContact CG1-CG1 4.29Å; V109-I113 VanDerWaalsContact O-CG1 3.29Å; V109-I113 WeakPolarHBondContact O-CG1 3.39Å; V109-I113 PolarHBondContact O-N 3.48Å; V109-I133 HydrophobicContact CG1-CD1 4.42Å; V109-I133 HydrophobicContact CG1-CG2 3.9Å; V109-R141 HydrophobicContact CG2-CB 4Å; V109-R141 HydrophobicContact CG2-CG 4.13Å |
| 110 | G | 87.6 | Confident | 88.4 | Confident | 55 Ų | 55 | 62.7 Ų | 62.7 | 57% | 0.567 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -62 | -31.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y108 G114 | Y108-G110 VanDerWaalsContact C-N 3.29Å; Y108-G110 PolarHBondContact O-N 3.01Å; G110-G114 PolarHBondContact O-N 2.79Å |
| 111 | L | 87 | Confident | 88.4 | Confident | 95 Ų | 95 | 64.3 Ų | 64.3 | 50% | 0.497 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -77.8 | -36.1 | 176.6 | -69.6 | 161.9 | 0 | 0 | 0 | 111.7 | Y108 V109 G114 I162 A166 | Y108-L111 WeakPolarHBondContact O-CB 3.31Å; Y108-L111 PolarHBondContact O-N 3.45Å; V109-L111 PolarHBondContact O-N 3.32Å; L111-G114 PolarHBondContact O-N 2.87Å; L111-I162 HydrophobicContact CB-CG2 4.33Å; L111-A166 HydrophobicContact CD1-CB 3.39Å |
| 112 | V | 89.1 | Confident | 88.5 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.006 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67 | -37.3 | 173.7 | 176.8 | 0 | 0 | 0 | 0 | 111.4 | I104 Y108 V109 I120 I133 I159 I162 I163 | I104-V112 HydrophobicContact CD1-CG1 4.41Å; I104-V112 HydrophobicContact CD1-CG2 4.32Å; Y108-V112 WeakPolarHBondContact O-CG2 3.45Å; Y108-V112 PolarHBondContact O-N 2.95Å; V109-V112 PolarHBondContact O-N 2.93Å; V112-I120 PolarHBondContact O-N 3.38Å; V112-I133 HydrophobicContact CG1-CD1 4.28Å; V112-I159 HydrophobicContact CG1-CG1 4.37Å; V112-I162 HydrophobicContact CB-CG2 4.49Å; V112-I162 HydrophobicContact CG2-CB 4.28Å; V112-I162 HydrophobicContact CG2-CG2 3.75Å; V112-I163 HydrophobicContact CG2-CG1 4.42Å |
| 113 | I | 89.6 | Confident | 88.8 | Confident | 55 Ų | 55 | 60.5 Ų | 60.5 | 28% | 0.282 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -71.1 | -43 | 175.1 | -64.7 | 169 | 0 | 0 | 0 | 111 | V109 G117 Q119 I120 I133 | V109-I113 HydrophobicContact CG1-CD1 3.66Å; V109-I113 HydrophobicContact CG1-CG1 4.29Å; V109-I113 VanDerWaalsContact O-CG1 3.29Å; V109-I113 WeakPolarHBondContact O-CG1 3.39Å; V109-I113 PolarHBondContact O-N 3.48Å; I113-G117 CarbonylContact O-C 3.47Å; I113-G117 VanDerWaalsContact O-C 3.25Å; I113-G117 VanDerWaalsContact O-CA 3.24Å; I113-G117 WeakPolarHBondContact O-CA 3.27Å; I113-Q119 WeakPolarHBondContact O-CB 3.42Å; I113-Q119 PolarHBondContact O-N 3.33Å; I113-I120 HydrophobicContact CB-CG2 4.49Å; I113-I120 HydrophobicContact CG2-CG2 4.11Å; I113-I120 PolarHBondContact O-N 2.85Å; I113-I120 VanDerWaalsContact O-N 3.09Å; I113-I133 HydrophobicContact CD1-CD1 4.2Å; I113-I133 HydrophobicContact CG1-CD1 3.66Å |
| 114 | G | 87.5 | Confident | 88.9 | Confident | 22 Ų | 22 | 61.2 Ų | 61.2 | 23% | 0.227 | 34% | 0.34 | C | S | . | . | trans | 75.8 | 170.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113 | G110 L111 G116 G117 | G110-G114 PolarHBondContact O-N 2.79Å; L111-G114 PolarHBondContact O-N 2.87Å; G114-G116 PolarHBondContact O-N 2.97Å; G114-G117 PolarHBondContact O-N 2.72Å | ||
| 115 | K | 86.4 | Confident | 89.2 | Confident | 198 Ų | 198 | 65.9 Ų | 65.9 | 86% | 0.861 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -65.5 | 122 | 178.4 | -62.7 | 177.5 | -176.7 | 178.6 | 0 | 108.8 | G117 E118 | K115-G117 PolarHBondContact O-N 3.3Å; K115-E118 PolarHBondContact O-N 3.18Å |
| 116 | G | 87.1 | Confident | 89.5 | Confident | 93 Ų | 93 | 68 Ų | 68 | 96% | 0.959 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | 68.8 | 12.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | G114 E118 | G114-G116 PolarHBondContact O-N 2.97Å; G116-E118 VanDerWaalsContact C-N 3.29Å |
| 117 | G | 88.3 | Confident | 89.9 | Confident | 14 Ų | 14 | 65.3 Ų | 65.3 | 14% | 0.144 | 36% | 0.36 | C | S | . | . | G | 310 helix | trans | 80 | 6.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | I113 G114 K115 Q119 I120 T121 | I113-G117 CarbonylContact O-C 3.47Å; I113-G117 VanDerWaalsContact O-C 3.25Å; I113-G117 VanDerWaalsContact O-CA 3.24Å; I113-G117 WeakPolarHBondContact O-CA 3.27Å; G114-G117 PolarHBondContact O-N 2.72Å; K115-G117 PolarHBondContact O-N 3.3Å; G117-Q119 VanDerWaalsContact C-N 3.3Å; G117-Q119 PolarHBondContact O-N 3.35Å; G117-I120 WeakPolarHBondContact O-CG2 3.41Å; G117-I120 PolarHBondContact O-N 3.11Å; G117-T121 WeakPolarHBondContact O-CB 3.47Å; G117-T121 PolarHBondContact O-N 2.8Å; G117-T121 PolarHBondContact O-OG1 3.21Å |
| 118 | E | 90.8 | Very high | 90.1 | Very high | 143 Ų | 143 | 64.3 Ų | 64.3 | 67% | 0.668 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -58.9 | -40.3 | -176.7 | -170.3 | 179.9 | 146 | 0 | 0 | 112.5 | K115 G116 T121 Q122 | K115-E118 PolarHBondContact O-N 3.18Å; G116-E118 VanDerWaalsContact C-N 3.29Å; E118-T121 PolarHBondContact O-N 3.5Å; E118-Q122 WeakPolarHBondContact O-CB 3.35Å; E118-Q122 PolarHBondContact O-N 3.3Å |
| 119 | Q | 91.8 | Very high | 90.3 | Very high | 63 Ų | 63 | 63 Ų | 63 | 29% | 0.294 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -71.5 | -42.1 | -177.2 | -170.2 | 67.1 | 82.8 | 0 | 0 | 112 | I113 G117 T121 Q122 L123 I162 | I113-Q119 WeakPolarHBondContact O-CB 3.42Å; I113-Q119 PolarHBondContact O-N 3.33Å; G117-Q119 VanDerWaalsContact C-N 3.3Å; G117-Q119 PolarHBondContact O-N 3.35Å; Q119-T121 VanDerWaalsContact C-N 3.34Å; Q119-Q122 VanDerWaalsContact NE2-OE1 3.16Å; Q119-Q122 PolarHBondContact O-N 3Å; Q119-L123 VanDerWaalsContact O-CB 3.27Å; Q119-L123 WeakPolarHBondContact O-CB 3.47Å; Q119-L123 PolarHBondContact O-N 2.91Å; Q119-I162 HydrophobicContact CG-CD1 4.13Å |
| 120 | I | 91.8 | Very high | 90.5 | Very high | 23 Ų | 23 | 69.2 Ų | 69.2 | 12% | 0.118 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -68.3 | -36.1 | 175 | -173.9 | 174.5 | 0 | 0 | 0 | 111.1 | V112 I113 G117 L123 Q124 V131 I133 | V112-I120 PolarHBondContact O-N 3.38Å; I113-I120 HydrophobicContact CB-CG2 4.49Å; I113-I120 HydrophobicContact CG2-CG2 4.11Å; I113-I120 PolarHBondContact O-N 2.85Å; I113-I120 VanDerWaalsContact O-N 3.09Å; G117-I120 WeakPolarHBondContact O-CG2 3.41Å; G117-I120 PolarHBondContact O-N 3.11Å; I120-L123 PolarHBondContact O-N 3.21Å; I120-Q124 VanDerWaalsContact O-CG 3.32Å; I120-Q124 WeakPolarHBondContact O-CG 3.23Å; I120-Q124 PolarHBondContact O-N 2.97Å; I120-V131 HydrophobicContact CD1-CG1 4.29Å; I120-V131 HydrophobicContact CG1-CG1 4.43Å; I120-I133 HydrophobicContact CD1-CD1 3.76Å; I120-I133 HydrophobicContact CD1-CG1 4.02Å |
| 121 | T | 93 | Very high | 90.8 | Very high | 74 Ų | 74 | 66.9 Ų | 66.9 | 45% | 0.454 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 173.8 | -63.3 | 0 | 0 | 0 | 0 | 111 | G117 E118 Q119 L123 Q124 N125 | G117-T121 WeakPolarHBondContact O-CB 3.47Å; G117-T121 PolarHBondContact O-N 2.8Å; G117-T121 PolarHBondContact O-OG1 3.21Å; E118-T121 PolarHBondContact O-N 3.5Å; Q119-T121 VanDerWaalsContact C-N 3.34Å; T121-L123 VanDerWaalsContact C-N 3.35Å; T121-L123 PolarHBondContact O-N 3.3Å; T121-Q124 PolarHBondContact O-N 2.87Å; T121-N125 VanDerWaalsContact O-CG 3.26Å; T121-N125 PolarHBondContact O-N 2.9Å; T121-N125 PolarHBondContact O-ND2 3.49Å |
| 122 | Q | 92.3 | Very high | 91 | Very high | 91 Ų | 91 | 68 Ų | 68 | 43% | 0.425 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.1 | -44.1 | 173.9 | -175.5 | 175.8 | 23.1 | 0 | 0 | 111.6 | E118 Q119 Q124 N125 D126 | E118-Q122 WeakPolarHBondContact O-CB 3.35Å; E118-Q122 PolarHBondContact O-N 3.3Å; Q119-Q122 VanDerWaalsContact NE2-OE1 3.16Å; Q119-Q122 PolarHBondContact O-N 3Å; Q122-Q124 VanDerWaalsContact C-N 3.31Å; Q122-Q124 PolarHBondContact O-N 3.24Å; Q122-N125 PolarHBondContact O-N 3.11Å; Q122-N125 VanDerWaalsContact O-N 3.09Å; Q122-D126 PolarHBondContact O-N 2.86Å |
| 123 | L | 92.2 | Very high | 91 | Very high | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.6 | -40.5 | 178.7 | -171.8 | 142.3 | 0 | 0 | 0 | 112 | Q119 I120 T121 T127 V131 A155 M158 I159 I162 | Q119-L123 VanDerWaalsContact O-CB 3.27Å; Q119-L123 WeakPolarHBondContact O-CB 3.47Å; Q119-L123 PolarHBondContact O-N 2.91Å; I120-L123 PolarHBondContact O-N 3.21Å; T121-L123 VanDerWaalsContact C-N 3.35Å; T121-L123 PolarHBondContact O-N 3.3Å; L123-T127 WeakPolarHBondContact O-CB 3.35Å; L123-T127 WeakPolarHBondContact O-CG2 3.49Å; L123-T127 PolarHBondContact O-N 2.99Å; L123-T127 VanDerWaalsContact O-N 3.13Å; L123-T127 PolarHBondContact O-OG1 2.97Å; L123-V131 HydrophobicContact CD2-CB 4.3Å; L123-V131 HydrophobicContact CD2-CG1 4.34Å; L123-V131 HydrophobicContact CD2-CG2 3.5Å; L123-A155 HydrophobicContact CD2-CB 4.46Å; L123-M158 HydrophobicContact CB-SD 3.94Å; L123-M158 HydrophobicContact CD1-CB 4.06Å; L123-M158 HydrophobicContact CD1-CG 3.72Å; L123-M158 HydrophobicContact CD1-SD 3.76Å; L123-M158 HydrophobicContact CG-CB 4.49Å; L123-M158 HydrophobicContact CG-CG 4.19Å; L123-M158 HydrophobicContact CG-SD 3.6Å; L123-I159 HydrophobicContact CD1-CG1 3.71Å; L123-I159 HydrophobicContact CD2-CD1 4.49Å; L123-I159 HydrophobicContact CD2-CG1 4.34Å; L123-I162 HydrophobicContact CD1-CD1 3.77Å |
| 124 | Q | 92.1 | Very high | 90.8 | Very high | 66 Ų | 66 | 68.8 Ų | 68.8 | 31% | 0.308 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -65.8 | -39.9 | 173.6 | -71.1 | 179.9 | 44.3 | 0 | 0 | 112.1 | I120 T121 Q122 Q128 C129 V131 | I120-Q124 VanDerWaalsContact O-CG 3.32Å; I120-Q124 WeakPolarHBondContact O-CG 3.23Å; I120-Q124 PolarHBondContact O-N 2.97Å; T121-Q124 PolarHBondContact O-N 2.87Å; Q122-Q124 VanDerWaalsContact C-N 3.31Å; Q122-Q124 PolarHBondContact O-N 3.24Å; Q124-Q128 VanDerWaalsContact O-CA 3.26Å; Q124-Q128 WeakPolarHBondContact O-CA 3.48Å; Q124-Q128 PolarHBondContact O-N 3.4Å; Q124-C129 WeakPolarHBondContact CG-O 3.39Å; Q124-V131 HydrophobicContact CG-CB 3.89Å; Q124-V131 HydrophobicContact CG-CG2 3.95Å; Q124-V131 PolarHBondContact NE2-O 2.84Å |
| 125 | N | 93.8 | Very high | 90.5 | Very high | 99 Ų | 99 | 76.7 Ų | 76.7 | 53% | 0.529 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -67.5 | -44.5 | 178.6 | -70.4 | -18.5 | 0 | 0 | 0 | 112.3 | T121 Q122 Q128 | T121-N125 VanDerWaalsContact O-CG 3.26Å; T121-N125 PolarHBondContact O-N 2.9Å; T121-N125 PolarHBondContact O-ND2 3.49Å; Q122-N125 PolarHBondContact O-N 3.11Å; Q122-N125 VanDerWaalsContact O-N 3.09Å; N125-Q128 PolarHBondContact O-NE2 3.27Å |
| 126 | D | 93.1 | Very high | 89.8 | Confident | 87 Ų | 87 | 71.1 Ų | 71.1 | 47% | 0.465 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -72.5 | -36.3 | -176.6 | -71.8 | -3.5 | 0 | 0 | 0 | 112 | Q122 M158 | Q122-D126 PolarHBondContact O-N 2.86Å; D126-M158 HydrophobicContact CB-CE 3.74Å |
| 127 | T | 92.4 | Very high | 88.7 | Confident | 4 Ų | 4 | 68 Ų | 68 | 3% | 0.025 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -90.2 | -15.4 | -177.8 | 65.1 | 0 | 0 | 0 | 0 | 112.7 | L123 C129 Q151 H154 A155 M158 | L123-T127 WeakPolarHBondContact O-CB 3.35Å; L123-T127 WeakPolarHBondContact O-CG2 3.49Å; L123-T127 PolarHBondContact O-N 2.99Å; L123-T127 VanDerWaalsContact O-N 3.13Å; L123-T127 PolarHBondContact O-OG1 2.97Å; T127-C129 PolarHBondContact O-N 3.13Å; T127-C129 VanDerWaalsContact O-N 3.12Å; T127-C129 WeakPolarHBondContact OG1-CB 3.39Å; T127-C129 PolarHBondContact OG1-N 3Å; T127-Q151 VanDerWaalsContact O-CB 3.29Å; T127-Q151 WeakPolarHBondContact O-CB 3.11Å; T127-Q151 VanDerWaalsContact O-CG 3.25Å; T127-Q151 WeakPolarHBondContact O-CG 3.36Å; T127-H154 HydrophobicContact CG2-CB 4.44Å; T127-A155 VanDerWaalsContact CG2-CA 3.46Å; T127-A155 HydrophobicContact CG2-CB 3.76Å; T127-M158 HydrophobicContact CG2-CE 4.23Å; T127-M158 HydrophobicContact CG2-SD 4.41Å |
| 128 | Q | 91.5 | Very high | 87.9 | Confident | 134 Ų | 134 | 73.1 Ų | 73.1 | 63% | 0.626 | 39% | 0.387 | S | S | * | . | trans | 52.2 | 27 | -169.2 | -60.8 | -74.2 | -72.1 | 0 | 0 | 112.1 | Q124 N125 Q151 | Q124-Q128 VanDerWaalsContact O-CA 3.26Å; Q124-Q128 WeakPolarHBondContact O-CA 3.48Å; Q124-Q128 PolarHBondContact O-N 3.4Å; N125-Q128 PolarHBondContact O-NE2 3.27Å; Q128-Q151 HydrophobicContact CB-CG 4.39Å; Q128-Q151 PolarHBondContact O-NE2 3.25Å; Q128-Q151 PolarHBondContact O-OE1 2.88Å | ||
| 129 | C | 90.9 | Very high | 87.3 | Confident | 3 Ų | 3 | 71.4 Ų | 71.4 | 2% | 0.02 | 39% | 0.389 | C | S | . | . | trans | -107.8 | 138.8 | 179.7 | -175.8 | 0 | 0 | 0 | 0 | 109.9 | Q124 T127 V131 T146 Q151 A155 | Q124-C129 WeakPolarHBondContact CG-O 3.39Å; T127-C129 PolarHBondContact O-N 3.13Å; T127-C129 VanDerWaalsContact O-N 3.12Å; T127-C129 WeakPolarHBondContact OG1-CB 3.39Å; T127-C129 PolarHBondContact OG1-N 3Å; C129-V131 PolarHBondContact O-N 3.42Å; C129-T146 PolarHBondContact SG-O 2.96Å; C129-Q151 HydrophobicContact CB-CB 4.25Å; C129-A155 HydrophobicContact CB-CB 4.02Å | ||
| 130 | K | 93 | Very high | 87 | Confident | 133 Ų | 133 | 73.8 Ų | 73.8 | 58% | 0.578 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 116.1 | 172 | -176.1 | 176.6 | -176.4 | -176.7 | 0 | 109.2 | L145 T146 | K130-L145 WeakPolarHBondContact O-CA 3.27Å; K130-T146 PolarHBondContact N-O 3.42Å; K130-T146 PolarHBondContact O-N 3.21Å |
| 131 | V | 92.5 | Very high | 86.8 | Confident | 7 Ų | 7 | 75.8 Ų | 75.8 | 4% | 0.042 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 117.9 | -176.9 | -177.2 | 0 | 0 | 0 | 0 | 110.1 | I120 L123 Q124 C129 V143 L145 | I120-V131 HydrophobicContact CD1-CG1 4.29Å; I120-V131 HydrophobicContact CG1-CG1 4.43Å; L123-V131 HydrophobicContact CD2-CB 4.3Å; L123-V131 HydrophobicContact CD2-CG1 4.34Å; L123-V131 HydrophobicContact CD2-CG2 3.5Å; Q124-V131 HydrophobicContact CG-CB 3.89Å; Q124-V131 HydrophobicContact CG-CG2 3.95Å; Q124-V131 PolarHBondContact NE2-O 2.84Å; C129-V131 PolarHBondContact O-N 3.42Å; V131-V143 HydrophobicContact CG1-CG1 3.52Å; V131-L145 HydrophobicContact CB-CD2 4.01Å; V131-L145 HydrophobicContact CG1-CD2 3.76Å; V131-L145 HydrophobicContact CG2-CD2 3.45Å; V131-L145 VanDerWaalsContact CG2-CD2 3.45Å |
| 132 | Q | 91.3 | Very high | 86.6 | Confident | 119 Ų | 119 | 74.7 Ų | 74.7 | 56% | 0.556 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 119 | 179.1 | -176 | 170.5 | -6.7 | 0 | 0 | 110.2 | V143 T144 | Q132-V143 CarbonylContact O-C 3.21Å; Q132-V143 WeakPolarHBondContact O-CA 3.44Å; Q132-T144 PolarHBondContact N-O 3.46Å; Q132-T144 PolarHBondContact O-N 3.24Å |
| 133 | I | 89.6 | Confident | 86.6 | Confident | 29 Ų | 29 | 70.3 Ų | 70.3 | 15% | 0.149 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 124.3 | 179.8 | -54.9 | -178.9 | 0 | 0 | 0 | 108.7 | V109 V112 I113 I120 R141 V143 | V109-I133 HydrophobicContact CG1-CD1 4.42Å; V109-I133 HydrophobicContact CG1-CG2 3.9Å; V112-I133 HydrophobicContact CG1-CD1 4.28Å; I113-I133 HydrophobicContact CD1-CD1 4.2Å; I113-I133 HydrophobicContact CG1-CD1 3.66Å; I120-I133 HydrophobicContact CD1-CD1 3.76Å; I120-I133 HydrophobicContact CD1-CG1 4.02Å; I133-R141 HydrophobicContact CG2-CB 4.44Å; I133-V143 HydrophobicContact CB-CG2 4.32Å; I133-V143 HydrophobicContact CD1-CG2 4.47Å; I133-V143 HydrophobicContact CG1-CG1 4.16Å; I133-V143 HydrophobicContact CG1-CG2 3.82Å; I133-V143 HydrophobicContact CG2-CG2 4.17Å |
| 134 | S | 86.3 | Confident | 86.6 | Confident | 42 Ų | 42 | 71.7 Ų | 71.7 | 29% | 0.294 | 39% | 0.387 | S | S | . | . | trans | -66.3 | 133.6 | 175.7 | -60 | 0 | 0 | 0 | 0 | 110.4 | A136 R141 T142 | S134-A136 VanDerWaalsContact C-N 3.25Å; S134-A136 PolarHBondContact O-N 3.38Å; S134-R141 VanDerWaalsContact O-CD 3.26Å; S134-R141 WeakPolarHBondContact O-CD 3.29Å; S134-T142 VanDerWaalsContact CB-O 3.26Å; S134-T142 WeakPolarHBondContact CB-O 3.4Å; S134-T142 PolarHBondContact N-O 3.35Å; S134-T142 PolarHBondContact OG-O 2.77Å | ||
| 135 | Q | 80.3 | Confident | 86.7 | Confident | 189 Ų | 189 | 68.5 Ų | 68.5 | 88% | 0.883 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -74.8 | -17.8 | 176 | -66.8 | -171.8 | -7.2 | 0 | 0 | 112.8 | ||
| 136 | A | 72.3 | Confident | 86.7 | Confident | 80 Ų | 80 | 65.8 Ų | 65.8 | 66% | 0.661 | 36% | 0.359 | S | S | * | . | trans | -103.2 | 133.5 | 177 | 0 | 0 | 0 | 0 | 0 | 110.3 | S134 | S134-A136 VanDerWaalsContact C-N 3.25Å; S134-A136 PolarHBondContact O-N 3.38Å | ||
| 137 | G | 63.5 | Low | 86.6 | Confident | 28 Ų | 28 | 61.9 Ų | 61.9 | 29% | 0.289 | 34% | 0.339 | S | S | . | . | trans | 144.3 | 97.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | E140 R141 | G137-E140 CarbonylContact C-O 3.57Å; G137-E140 WeakPolarHBondContact CA-O 3.45Å; G137-E140 CarbonylContact O-C 3.36Å; G137-R141 WeakPolarHBondContact O-CG 3.31Å | ||
| 138 | T | 71.9 | Confident | 86.6 | Confident | 122 Ų | 122 | 62.8 Ų | 62.8 | 75% | 0.748 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -125.6 | 126.7 | 169.3 | 52.2 | 0 | 0 | 0 | 0 | 107.4 | ||
| 139 | P | 79 | Confident | 86.6 | Confident | 107 Ų | 107 | 59 Ų | 59 | 70% | 0.695 | 33% | 0.332 | S | S | * | . | S | Bend | cis | -84.6 | -8.8 | 10.7 | 32.1 | -34.7 | 0 | 0 | 0 | 116.1 | D106 | D106-P139 PolarHBondContact N-O 2.87Š|
| 140 | E | 85.3 | Confident | 86.6 | Confident | 112 Ų | 112 | 65.6 Ų | 65.6 | 52% | 0.523 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 130.8 | -176.7 | -60.4 | -179 | 122.2 | 0 | 0 | 111.1 | A103 I104 G137 | A103-E140 HydrophobicContact CB-CB 4.27Å; I104-E140 CarbonylContact O-C 3.25Å; I104-E140 WeakPolarHBondContact O-CA 3.44Å; G137-E140 CarbonylContact C-O 3.57Å; G137-E140 WeakPolarHBondContact CA-O 3.45Å; G137-E140 CarbonylContact O-C 3.36Å |
| 141 | R | 86.8 | Confident | 86.6 | Confident | 65 Ų | 65 | 61.9 Ų | 61.9 | 25% | 0.245 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 133.8 | 172.2 | -66.1 | -165.8 | -159.7 | -174.5 | -1.7 | 110.4 | I104 D106 V109 I133 S134 G137 | I104-R141 PolarHBondContact N-O 3.5Å; I104-R141 PolarHBondContact O-N 3.27Å; D106-R141 IonicContact OD1-CZ 3.12Å; D106-R141 IonicContact OD1-NE 2.73Å; D106-R141 PolarHBondContact OD1-NE 3.04Å; D106-R141 IonicContact OD1-NH2 2.74Å; D106-R141 PolarHBondContact OD1-NH2 3.42Å; V109-R141 HydrophobicContact CG2-CB 4Å; V109-R141 HydrophobicContact CG2-CG 4.13Å; I133-R141 HydrophobicContact CG2-CB 4.44Å; S134-R141 VanDerWaalsContact O-CD 3.26Å; S134-R141 WeakPolarHBondContact O-CD 3.29Å; G137-R141 WeakPolarHBondContact O-CG 3.31Å |
| 142 | T | 89.3 | Confident | 86.7 | Confident | 51 Ų | 51 | 61.9 Ų | 61.9 | 31% | 0.313 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 126.1 | 176.5 | -52.1 | 0 | 0 | 0 | 0 | 110.9 | E101 S134 | E101-T142 HydrophobicContact CB-CG2 3.74Å; E101-T142 HydrophobicContact CG-CG2 4.08Å; S134-T142 VanDerWaalsContact CB-O 3.26Å; S134-T142 WeakPolarHBondContact CB-O 3.4Å; S134-T142 PolarHBondContact N-O 3.35Å; S134-T142 PolarHBondContact OG-O 2.77Å |
| 143 | V | 91.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 116.8 | 173.2 | -177.3 | 0 | 0 | 0 | 0 | 109.7 | E101 T102 I104 V131 Q132 I133 L145 I159 | E101-V143 CarbonylContact C-O 3.19Å; E101-V143 WeakPolarHBondContact CA-O 3.32Å; T102-V143 PolarHBondContact N-O 3.42Å; T102-V143 PolarHBondContact O-N 2.96Å; I104-V143 HydrophobicContact CB-CG2 4.42Å; I104-V143 HydrophobicContact CD1-CB 4.21Å; I104-V143 HydrophobicContact CD1-CG2 3.3Å; I104-V143 HydrophobicContact CG1-CG2 3.76Å; V131-V143 HydrophobicContact CG1-CG1 3.52Å; Q132-V143 CarbonylContact O-C 3.21Å; Q132-V143 WeakPolarHBondContact O-CA 3.44Å; I133-V143 HydrophobicContact CB-CG2 4.32Å; I133-V143 HydrophobicContact CD1-CG2 4.47Å; I133-V143 HydrophobicContact CG1-CG1 4.16Å; I133-V143 HydrophobicContact CG1-CG2 3.82Å; I133-V143 HydrophobicContact CG2-CG2 4.17Å; V143-L145 HydrophobicContact CG1-CD2 3.94Å; V143-L145 HydrophobicContact CG1-CG 4.36Å; V143-I159 HydrophobicContact CG1-CD1 4.21Å |
| 144 | T | 93.5 | Very high | 86.9 | Confident | 28 Ų | 28 | 63.7 Ų | 63.7 | 17% | 0.172 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 119.7 | 176.7 | -47.6 | 0 | 0 | 0 | 0 | 109.2 | T99 E101 Q132 | T99-T144 HydrophobicContact CG2-CG2 3.34Å; E101-T144 HydrophobicContact CG-CG2 4.4Å; Q132-T144 PolarHBondContact N-O 3.46Å; Q132-T144 PolarHBondContact O-N 3.24Å |
| 145 | L | 93.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 118.1 | -179.4 | -59.6 | 174.4 | 0 | 0 | 0 | 109.1 | T99 T100 K130 V131 V143 I152 A155 K156 I159 | T99-L145 CarbonylContact C-O 3.58Å; T99-L145 VanDerWaalsContact CA-O 3.29Å; T99-L145 WeakPolarHBondContact CA-O 3.4Å; T100-L145 PolarHBondContact N-O 2.93Å; T100-L145 PolarHBondContact O-N 3.43Å; K130-L145 WeakPolarHBondContact O-CA 3.27Å; V131-L145 HydrophobicContact CB-CD2 4.01Å; V131-L145 HydrophobicContact CG1-CD2 3.76Å; V131-L145 HydrophobicContact CG2-CD2 3.45Å; V131-L145 VanDerWaalsContact CG2-CD2 3.45Å; V143-L145 HydrophobicContact CG1-CD2 3.94Å; V143-L145 HydrophobicContact CG1-CG 4.36Å; L145-I152 HydrophobicContact CB-CG1 4.35Å; L145-I152 HydrophobicContact CB-CG2 4.07Å; L145-I152 HydrophobicContact CD1-CG2 4.09Å; L145-A155 HydrophobicContact CD1-CB 4.36Å; L145-A155 HydrophobicContact CD2-CB 4.13Å; L145-K156 HydrophobicContact CD1-CG 3.54Å; L145-I159 HydrophobicContact CD2-CD1 4.02Å |
| 146 | T | 93.2 | Very high | 87.8 | Confident | 42 Ų | 42 | 56.3 Ų | 56.3 | 26% | 0.258 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 123.5 | 178.4 | -57 | 0 | 0 | 0 | 0 | 110 | V97 V98 T99 C129 K130 | V97-T146 HydrophobicContact CG1-CG2 3.65Å; V98-T146 WeakPolarHBondContact O-CA 3.29Å; T99-T146 WeakPolarHBondContact CG2-OG1 3.12Å; T99-T146 PolarHBondContact OG1-OG1 3.11Å; T99-T146 VanDerWaalsContact OG1-OG1 3.06Å; C129-T146 PolarHBondContact SG-O 2.96Å; K130-T146 PolarHBondContact N-O 3.42Å; K130-T146 PolarHBondContact O-N 3.21Å |
| 147 | G | 91.9 | Very high | 88.8 | Confident | 5 Ų | 5 | 58.4 Ų | 58.4 | 5% | 0.052 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.8 | -170.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V97 V98 | V97-G147 CarbonylContact C-O 3.35Å; V97-G147 WeakPolarHBondContact CA-O 3.43Å; V98-G147 PolarHBondContact N-O 3.48Å; V98-G147 PolarHBondContact O-N 2.9Å |
| 148 | T | 93.4 | Very high | 90.1 | Very high | 23 Ų | 23 | 58.8 Ų | 58.8 | 14% | 0.141 | 31% | 0.309 | C | S | . | . | trans | -67 | 153.8 | 166.4 | 70.5 | 0 | 0 | 0 | 0 | 109.5 | Q150 Q151 I152 | T148-Q150 PolarHBondContact O-N 2.99Å; T148-Q150 VanDerWaalsContact O-N 3.11Å; T148-Q151 WeakPolarHBondContact O-CB 3.27Å; T148-Q151 PolarHBondContact O-N 3.11Å; T148-Q151 WeakPolarHBondContact OG1-CG 3.46Å; T148-Q151 PolarHBondContact OG1-N 3.35Å; T148-Q151 PolarHBondContact OG1-OE1 3.31Å; T148-I152 WeakPolarHBondContact O-CG1 3.22Å; T148-I152 PolarHBondContact O-N 2.85Å | ||
| 149 | P | 90.5 | Very high | 91.1 | Very high | 55 Ų | 55 | 53.1 Ų | 53.1 | 36% | 0.357 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -55 | -31.9 | 178.9 | 20 | -33 | 0 | 0 | 0 | 113.1 | R96 D153 | R96-P149 WeakPolarHBondContact O-CD 3.49Å; P149-D153 WeakPolarHBondContact O-CB 3.22Å; P149-D153 PolarHBondContact O-N 2.83Å; P149-D153 VanDerWaalsContact O-N 3.09Å |
| 150 | Q | 91.5 | Very high | 91.6 | Very high | 140 Ų | 140 | 49.7 Ų | 49.7 | 65% | 0.654 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -69.1 | -41.4 | 175.3 | -67.9 | 159.7 | -37.8 | 0 | 0 | 112.4 | T148 H154 | T148-Q150 PolarHBondContact O-N 2.99Å; T148-Q150 VanDerWaalsContact O-N 3.11Å; Q150-H154 PolarHBondContact O-N 2.82Å; Q150-H154 VanDerWaalsContact O-N 3.13Å |
| 151 | Q | 93.3 | Very high | 91.8 | Very high | 56 Ų | 56 | 48.2 Ų | 48.2 | 26% | 0.262 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -67.3 | -41.1 | 176.9 | -70 | 169.3 | -25.8 | 0 | 0 | 111.8 | T127 Q128 C129 T148 H154 A155 | T127-Q151 VanDerWaalsContact O-CB 3.29Å; T127-Q151 WeakPolarHBondContact O-CB 3.11Å; T127-Q151 VanDerWaalsContact O-CG 3.25Å; T127-Q151 WeakPolarHBondContact O-CG 3.36Å; Q128-Q151 HydrophobicContact CB-CG 4.39Å; Q128-Q151 PolarHBondContact O-NE2 3.25Å; Q128-Q151 PolarHBondContact O-OE1 2.88Å; C129-Q151 HydrophobicContact CB-CB 4.25Å; T148-Q151 WeakPolarHBondContact O-CB 3.27Å; T148-Q151 PolarHBondContact O-N 3.11Å; T148-Q151 WeakPolarHBondContact OG1-CG 3.46Å; T148-Q151 PolarHBondContact OG1-N 3.35Å; T148-Q151 PolarHBondContact OG1-OE1 3.31Å; Q151-H154 PolarHBondContact O-N 3.33Å; Q151-A155 WeakPolarHBondContact O-CB 3.45Å; Q151-A155 PolarHBondContact O-N 2.98Å |
| 152 | I | 93.4 | Very high | 91.8 | Very high | 6 Ų | 6 | 45.9 Ų | 45.9 | 3% | 0.031 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.9 | -42.9 | 178 | -65.4 | 171.2 | 0 | 0 | 0 | 110.6 | V98 L145 T148 H154 A155 K156 | V98-I152 HydrophobicContact CB-CD1 4.06Å; V98-I152 VanDerWaalsContact O-CD1 3.31Å; V98-I152 WeakPolarHBondContact O-CD1 3.4Å; L145-I152 HydrophobicContact CB-CG1 4.35Å; L145-I152 HydrophobicContact CB-CG2 4.07Å; L145-I152 HydrophobicContact CD1-CG2 4.09Å; T148-I152 WeakPolarHBondContact O-CG1 3.22Å; T148-I152 PolarHBondContact O-N 2.85Å; I152-H154 VanDerWaalsContact C-N 3.34Å; I152-A155 PolarHBondContact O-N 2.8Å; I152-K156 HydrophobicContact CG2-CD 4.29Å; I152-K156 HydrophobicContact CG2-CG 4.42Å; I152-K156 WeakPolarHBondContact O-CG 3.29Å; I152-K156 PolarHBondContact O-N 2.93Å |
| 153 | D | 92.6 | Very high | 91.7 | Very high | 106 Ų | 106 | 45.1 Ų | 45.1 | 57% | 0.567 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -61.5 | -44.3 | 177.6 | -165.7 | -108.9 | 0 | 0 | 0 | 111.4 | P149 A155 K156 Q157 | P149-D153 WeakPolarHBondContact O-CB 3.22Å; P149-D153 PolarHBondContact O-N 2.83Å; P149-D153 VanDerWaalsContact O-N 3.09Å; D153-A155 PolarHBondContact O-N 2.88Å; D153-K156 PolarHBondContact O-N 2.84Å; D153-Q157 PolarHBondContact O-N 3.13Å |
| 154 | H | 93.3 | Very high | 91.4 | Very high | 80 Ų | 80 | 50.5 Ų | 50.5 | 37% | 0.37 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 174.8 | -167.5 | -143.9 | 0 | 0 | 0 | 112.2 | T127 Q150 Q151 I152 Q157 M158 | T127-H154 HydrophobicContact CG2-CB 4.44Å; Q150-H154 PolarHBondContact O-N 2.82Å; Q150-H154 VanDerWaalsContact O-N 3.13Å; Q151-H154 PolarHBondContact O-N 3.33Å; I152-H154 VanDerWaalsContact C-N 3.34Å; H154-Q157 PolarHBondContact O-N 2.58Å; H154-M158 PolarHBondContact O-N 2.76Å |
| 155 | A | 93.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.3 | -40.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L123 T127 C129 L145 Q151 I152 D153 M158 I159 | L123-A155 HydrophobicContact CD2-CB 4.46Å; T127-A155 VanDerWaalsContact CG2-CA 3.46Å; T127-A155 HydrophobicContact CG2-CB 3.76Å; C129-A155 HydrophobicContact CB-CB 4.02Å; L145-A155 HydrophobicContact CD1-CB 4.36Å; L145-A155 HydrophobicContact CD2-CB 4.13Å; Q151-A155 WeakPolarHBondContact O-CB 3.45Å; Q151-A155 PolarHBondContact O-N 2.98Å; I152-A155 PolarHBondContact O-N 2.8Å; D153-A155 PolarHBondContact O-N 2.88Å; A155-M158 PolarHBondContact O-N 2.83Å; A155-I159 WeakPolarHBondContact O-CB 3.48Å; A155-I159 VanDerWaalsContact O-CG1 3.22Å; A155-I159 WeakPolarHBondContact O-CG1 3.17Å; A155-I159 PolarHBondContact O-N 2.76Å |
| 156 | K | 92.1 | Very high | 89.8 | Confident | 77 Ų | 77 | 57.3 Ų | 57.3 | 34% | 0.335 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 174.6 | -76.3 | -179.9 | 174.9 | -171.4 | 0 | 111.8 | T100 T102 L145 I152 D153 I159 G160 | T100-K156 VanDerWaalsContact CG2-NZ 3.29Å; T102-K156 WeakPolarHBondContact OG1-CE 3.39Å; L145-K156 HydrophobicContact CD1-CG 3.54Å; I152-K156 HydrophobicContact CG2-CD 4.29Å; I152-K156 HydrophobicContact CG2-CG 4.42Å; I152-K156 WeakPolarHBondContact O-CG 3.29Å; I152-K156 PolarHBondContact O-N 2.93Å; D153-K156 PolarHBondContact O-N 2.84Å; K156-I159 PolarHBondContact O-N 3.02Å; K156-G160 PolarHBondContact O-N 3.29Å |
| 157 | Q | 92.5 | Very high | 88.6 | Confident | 123 Ų | 123 | 57.1 Ų | 57.1 | 58% | 0.575 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -63.2 | -47.4 | 177.7 | -174.9 | 168.8 | 61.6 | 0 | 0 | 111.2 | D153 H154 I159 G160 D161 | D153-Q157 PolarHBondContact O-N 3.13Å; H154-Q157 PolarHBondContact O-N 2.58Å; Q157-I159 PolarHBondContact O-N 2.77Å; Q157-G160 CarbonylContact O-C 3.58Å; Q157-G160 WeakPolarHBondContact O-CA 3.4Å; Q157-G160 PolarHBondContact O-N 3.46Å; Q157-G160 VanDerWaalsContact O-N 3.11Å; Q157-D161 PolarHBondContact O-N 3.27Å |
| 158 | M | 91.4 | Very high | 87.2 | Confident | 37 Ų | 37 | 64.2 Ų | 64.2 | 18% | 0.182 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.1 | -40.3 | 178.8 | -170.1 | 178 | -68.3 | 0 | 0 | 112.5 | L123 D126 T127 H154 A155 D161 I162 | L123-M158 HydrophobicContact CB-SD 3.94Å; L123-M158 HydrophobicContact CD1-CB 4.06Å; L123-M158 HydrophobicContact CD1-CG 3.72Å; L123-M158 HydrophobicContact CD1-SD 3.76Å; L123-M158 HydrophobicContact CG-CB 4.49Å; L123-M158 HydrophobicContact CG-CG 4.19Å; L123-M158 HydrophobicContact CG-SD 3.6Å; D126-M158 HydrophobicContact CB-CE 3.74Å; T127-M158 HydrophobicContact CG2-CE 4.23Å; T127-M158 HydrophobicContact CG2-SD 4.41Å; H154-M158 PolarHBondContact O-N 2.76Å; A155-M158 PolarHBondContact O-N 2.83Å; M158-D161 PolarHBondContact O-N 2.82Å; M158-I162 HydrophobicContact CG-CD1 4.41Å; M158-I162 VanDerWaalsContact O-CG1 3.27Å; M158-I162 WeakPolarHBondContact O-CG1 3.34Å; M158-I162 PolarHBondContact O-N 2.99Å |
| 159 | I | 91.7 | Very high | 85.4 | Confident | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.015 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.6 | -45.3 | 172.5 | -72.3 | 171.6 | 0 | 0 | 0 | 110.5 | I104 V112 L123 V143 L145 A155 K156 Q157 D161 I162 I163 | I104-I159 HydrophobicContact CD1-CD1 4.42Å; I104-I159 HydrophobicContact CD1-CG2 3.35Å; I104-I159 HydrophobicContact CG1-CG2 3.95Å; V112-I159 HydrophobicContact CG1-CG1 4.37Å; L123-I159 HydrophobicContact CD1-CG1 3.71Å; L123-I159 HydrophobicContact CD2-CD1 4.49Å; L123-I159 HydrophobicContact CD2-CG1 4.34Å; V143-I159 HydrophobicContact CG1-CD1 4.21Å; L145-I159 HydrophobicContact CD2-CD1 4.02Å; A155-I159 WeakPolarHBondContact O-CB 3.48Å; A155-I159 VanDerWaalsContact O-CG1 3.22Å; A155-I159 WeakPolarHBondContact O-CG1 3.17Å; A155-I159 PolarHBondContact O-N 2.76Å; K156-I159 PolarHBondContact O-N 3.02Å; Q157-I159 PolarHBondContact O-N 2.77Å; I159-D161 VanDerWaalsContact C-N 3.35Å; I159-D161 PolarHBondContact O-N 2.93Å; I159-I162 PolarHBondContact O-N 2.87Å; I159-I163 HydrophobicContact CG2-CD1 3.68Å; I159-I163 HydrophobicContact CG2-CG1 4.45Å; I159-I163 VanDerWaalsContact O-CG1 3.27Å; I159-I163 WeakPolarHBondContact O-CG1 3.35Å; I159-I163 PolarHBondContact O-N 3.24Å |
| 160 | G | 89.6 | Confident | 83.4 | Confident | 35 Ų | 35 | 67.9 Ų | 67.9 | 36% | 0.361 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -58.9 | -43.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K156 Q157 I162 I163 E164 | K156-G160 PolarHBondContact O-N 3.29Å; Q157-G160 CarbonylContact O-C 3.58Å; Q157-G160 WeakPolarHBondContact O-CA 3.4Å; Q157-G160 PolarHBondContact O-N 3.46Å; Q157-G160 VanDerWaalsContact O-N 3.11Å; G160-I162 PolarHBondContact O-N 3.35Å; G160-I163 PolarHBondContact O-N 2.9Å; G160-E164 WeakPolarHBondContact O-CB 3.29Å; G160-E164 PolarHBondContact O-N 3.44Å |
| 161 | D | 89 | Confident | 81.3 | Confident | 80 Ų | 80 | 65.7 Ų | 65.7 | 43% | 0.428 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.2 | -41.6 | 175.3 | -87.4 | -47.6 | 0 | 0 | 0 | 112.3 | Q157 M158 I159 I163 E164 R165 | Q157-D161 PolarHBondContact O-N 3.27Å; M158-D161 PolarHBondContact O-N 2.82Å; I159-D161 VanDerWaalsContact C-N 3.35Å; I159-D161 PolarHBondContact O-N 2.93Å; D161-I163 VanDerWaalsContact C-N 3.35Å; D161-E164 PolarHBondContact O-N 2.82Å; D161-R165 WeakPolarHBondContact O-CB 3.08Å; D161-R165 PolarHBondContact O-N 3.33Å |
| 162 | I | 87.5 | Confident | 78.9 | Confident | 17 Ų | 17 | 68.7 Ų | 68.7 | 9% | 0.087 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64.1 | -43.5 | 176.3 | -66.1 | 162.5 | 0 | 0 | 0 | 110.2 | L111 V112 Q119 L123 M158 I159 G160 A166 | L111-I162 HydrophobicContact CB-CG2 4.33Å; V112-I162 HydrophobicContact CB-CG2 4.49Å; V112-I162 HydrophobicContact CG2-CB 4.28Å; V112-I162 HydrophobicContact CG2-CG2 3.75Å; Q119-I162 HydrophobicContact CG-CD1 4.13Å; L123-I162 HydrophobicContact CD1-CD1 3.77Å; M158-I162 HydrophobicContact CG-CD1 4.41Å; M158-I162 VanDerWaalsContact O-CG1 3.27Å; M158-I162 WeakPolarHBondContact O-CG1 3.34Å; M158-I162 PolarHBondContact O-N 2.99Å; I159-I162 PolarHBondContact O-N 2.87Å; G160-I162 PolarHBondContact O-N 3.35Å; I162-A166 WeakPolarHBondContact O-CB 3.5Å; I162-A166 PolarHBondContact O-N 2.88Å |
| 163 | I | 87 | Confident | 76.3 | Confident | 35 Ų | 35 | 74 Ų | 74 | 18% | 0.179 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -65.5 | -43.7 | 178 | -67.4 | 164.9 | 0 | 0 | 0 | 110.9 | I104 Y108 V112 I159 G160 D161 A166 G167 | I104-I163 HydrophobicContact CB-CD1 4.33Å; I104-I163 HydrophobicContact CD1-CD1 4.38Å; I104-I163 HydrophobicContact CG1-CD1 4.03Å; I104-I163 HydrophobicContact CG2-CD1 3.71Å; I104-I163 HydrophobicContact CG2-CG1 4.12Å; Y108-I163 HydrophobicContact CD2-CB 4.47Å; Y108-I163 HydrophobicContact CD2-CG1 4.36Å; Y108-I163 HydrophobicContact CD2-CG2 3.64Å; Y108-I163 HydrophobicContact CE2-CG2 3.69Å; Y108-I163 HydrophobicContact CG-CG1 4.32Å; Y108-I163 HydrophobicContact CG-CG2 4.1Å; V112-I163 HydrophobicContact CG2-CG1 4.42Å; I159-I163 HydrophobicContact CG2-CD1 3.68Å; I159-I163 HydrophobicContact CG2-CG1 4.45Å; I159-I163 VanDerWaalsContact O-CG1 3.27Å; I159-I163 WeakPolarHBondContact O-CG1 3.35Å; I159-I163 PolarHBondContact O-N 3.24Å; G160-I163 PolarHBondContact O-N 2.9Å; D161-I163 VanDerWaalsContact C-N 3.35Å; I163-A166 PolarHBondContact O-N 3.14Å; I163-G167 PolarHBondContact O-N 3.38Å |
| 164 | E | 85.7 | Confident | 74.5 | Confident | 113 Ų | 113 | 75.3 Ų | 75.3 | 53% | 0.528 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -67.6 | -45 | 179.6 | -169.4 | -179.4 | 116.3 | 0 | 0 | 111.1 | G160 D161 A166 G167 K168 | G160-E164 WeakPolarHBondContact O-CB 3.29Å; G160-E164 PolarHBondContact O-N 3.44Å; D161-E164 PolarHBondContact O-N 2.82Å; E164-A166 VanDerWaalsContact C-N 3.26Å; E164-A166 PolarHBondContact O-N 3.17Å; E164-G167 PolarHBondContact O-N 2.85Å; E164-K168 HydrophobicContact CG-CD 4.25Å; E164-K168 WeakPolarHBondContact O-CG 3.44Å; E164-K168 PolarHBondContact O-N 3.24Å; E164-K168 IonicContact OE1-NZ 2.72Å; E164-K168 PolarHBondContact OE1-NZ 3.01Å |
| 165 | R | 81 | Confident | 72.1 | Confident | 162 Ų | 162 | 77.9 Ų | 77.9 | 61% | 0.611 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -59.7 | -40.4 | 174.6 | -172 | 178.3 | -67 | 146.5 | 2.7 | 110.7 | D161 K168 N169 | D161-R165 WeakPolarHBondContact O-CB 3.08Å; D161-R165 PolarHBondContact O-N 3.33Å; R165-K168 PolarHBondContact O-N 3.26Å; R165-N169 VanDerWaalsContact O-CB 3.29Å; R165-N169 WeakPolarHBondContact O-CB 3.47Å; R165-N169 PolarHBondContact O-N 3.48Å |
| 166 | A | 71.7 | Confident | 70 | Confident | 9 Ų | 9 | 81.3 Ų | 81.3 | 7% | 0.074 | 47% | 0.47 | C | S | . | . | H | α-helix | trans | -71 | -35.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y108 L111 I162 I163 E164 K168 G170 | Y108-A166 HydrophobicContact CD1-CB 3.46Å; Y108-A166 VanDerWaalsContact CD1-CB 3.46Å; Y108-A166 HydrophobicContact CE1-CB 3.75Å; L111-A166 HydrophobicContact CD1-CB 3.39Å; I162-A166 WeakPolarHBondContact O-CB 3.5Å; I162-A166 PolarHBondContact O-N 2.88Å; I163-A166 PolarHBondContact O-N 3.14Å; E164-A166 VanDerWaalsContact C-N 3.26Å; E164-A166 PolarHBondContact O-N 3.17Å; A166-K168 VanDerWaalsContact C-N 3.26Å; A166-K168 PolarHBondContact O-N 2.95Å; A166-G170 PolarHBondContact O-N 3.11Å |
| 167 | G | 67.3 | Low | 67.9 | Low | 38 Ų | 38 | 84 Ų | 84 | 39% | 0.392 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.7 | -35 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | I163 E164 | I163-G167 PolarHBondContact O-N 3.38Å; E164-G167 PolarHBondContact O-N 2.85Å |
| 168 | K | 63.1 | Low | 65.5 | Low | 153 Ų | 153 | 85.3 Ų | 85.3 | 67% | 0.665 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -86.3 | -32.6 | 177.8 | -66.5 | 173.2 | 176.7 | 170.1 | 0 | 113.4 | E164 R165 A166 | E164-K168 HydrophobicContact CG-CD 4.25Å; E164-K168 WeakPolarHBondContact O-CG 3.44Å; E164-K168 PolarHBondContact O-N 3.24Å; E164-K168 IonicContact OE1-NZ 2.72Å; E164-K168 PolarHBondContact OE1-NZ 3.01Å; R165-K168 PolarHBondContact O-N 3.26Å; A166-K168 VanDerWaalsContact C-N 3.26Å; A166-K168 PolarHBondContact O-N 2.95Å |
| 169 | N | 55.7 | Low | 63.4 | Low | 104 Ų | 104 | 86.1 Ų | 86.1 | 56% | 0.556 | 50% | 0.5 | S | S | * | . | trans | -107.6 | 36.8 | -177.2 | -78 | -6.8 | 0 | 0 | 0 | 115 | R165 T171 | R165-N169 VanDerWaalsContact O-CB 3.29Å; R165-N169 WeakPolarHBondContact O-CB 3.47Å; R165-N169 PolarHBondContact O-N 3.48Å; N169-T171 PolarHBondContact O-N 3.22Å | ||
| 170 | G | 47.8 | Very low | 61.5 | Low | 51 Ų | 51 | 93.7 Ų | 93.7 | 53% | 0.526 | 55% | 0.546 | S | S | . | . | trans | -64.6 | 29.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | A166 | A166-G170 PolarHBondContact O-N 3.11Š| ||
| 171 | T | 47.5 | Very low | 60 | Low | 95 Ų | 95 | 93.6 Ų | 93.6 | 58% | 0.583 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -139.3 | 117.4 | 160.1 | 41.6 | 0 | 0 | 0 | 0 | 111.1 | N169 T173 | N169-T171 PolarHBondContact O-N 3.22Å; T171-T173 PolarHBondContact O-N 3.09Å |
| 172 | P | 42.8 | Very low | 59 | Low | 119 Ų | 119 | 94.7 Ų | 94.7 | 77% | 0.773 | 56% | 0.559 | S | S | * | * | trans | -83.5 | 108 | 179.3 | 32.5 | -28.5 | 0 | 0 | 0 | 109.4 | ||||
| 173 | T | 40.1 | Very low | 58.7 | Low | 118 Ų | 118 | 100.1 Ų | 100.1 | 72% | 0.724 | 59% | 0.587 | S | S | * | * | S | Bend | trans | 168.9 | 127.6 | 148 | 42.7 | 0 | 0 | 0 | 0 | 107.1 | T171 | T171-T173 PolarHBondContact O-N 3.09Š|
| 174 | T | 54 | Low | 58.6 | Low | 133 Ų | 133 | 100.8 Ų | 100.8 | 82% | 0.816 | 59% | 0.593 | S | S | * | * | S | Bend | trans | 97.9 | 135.1 | 174.3 | 67.8 | 0 | 0 | 0 | 0 | 116.5 | A176 | T174-A176 PolarHBondContact O-N 3.34Š|
| 175 | P | 43.8 | Very low | 58.7 | Low | 133 Ų | 133 | 98.8 Ų | 98.8 | 86% | 0.864 | 59% | 0.589 | S | S | * | * | trans | -63.8 | 119.6 | -171.6 | 25.7 | -33 | 0 | 0 | 0 | 110.5 | Y177 | P175-Y177 PolarHBondContact O-N 2.87Š| ||
| 176 | A | 49.4 | Very low | 59.1 | Low | 73 Ų | 73 | 93.3 Ų | 93.3 | 60% | 0.603 | 57% | 0.571 | S | S | * | * | trans | -74.9 | 112.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | T174 N178 | T174-A176 PolarHBondContact O-N 3.34Å; A176-N178 PolarHBondContact O-N 3.35Å | ||
| 177 | Y | 47.7 | Very low | 59.9 | Low | 132 Ų | 132 | 99.1 Ų | 99.1 | 52% | 0.518 | 60% | 0.596 | S | S | . | * | trans | -59.5 | 121.9 | 153.3 | 146 | -105.2 | 0 | 0 | 0 | 108.5 | P175 S179 R241 | P175-Y177 PolarHBondContact O-N 2.87Å; Y177-S179 VanDerWaalsContact CZ-CB 3.45Å; Y177-S179 PolarHBondContact O-N 3.5Å; Y177-S179 VanDerWaalsContact O-N 3.16Å; Y177-S179 WeakPolarHBondContact OH-CB 3.37Å; Y177-S179 PolarHBondContact OH-OG 3.42Å; Y177-S179 VanDerWaalsContact OH-OG 3.11Å; Y177-R241 PolarHBondContact OH-NH2 2.95Å | ||
| 178 | N | 41.3 | Very low | 60.8 | Low | 152 Ų | 152 | 98.4 Ų | 98.4 | 81% | 0.813 | 58% | 0.583 | S | S | * | * | trans | -56.9 | 111.2 | 171.4 | -93.1 | 13 | 0 | 0 | 0 | 109.7 | A176 | A176-N178 PolarHBondContact O-N 3.35Š| ||
| 179 | S | 48.3 | Very low | 61.9 | Low | 54 Ų | 54 | 97 Ų | 97 | 38% | 0.378 | 58% | 0.581 | S | S | . | * | trans | -148.1 | 106.9 | 164 | -156.6 | 0 | 0 | 0 | 0 | 112.4 | Y177 G181 | Y177-S179 VanDerWaalsContact CZ-CB 3.45Å; Y177-S179 PolarHBondContact O-N 3.5Å; Y177-S179 VanDerWaalsContact O-N 3.16Å; Y177-S179 WeakPolarHBondContact OH-CB 3.37Å; Y177-S179 PolarHBondContact OH-OG 3.42Å; Y177-S179 VanDerWaalsContact OH-OG 3.11Å; S179-G181 PolarHBondContact O-N 2.94Å | ||
| 180 | T | 51.6 | Low | 63.3 | Low | 161 Ų | 161 | 92.1 Ų | 92.1 | 99% | 0.988 | 55% | 0.554 | S | S | * | * | trans | -75.6 | 48.6 | 175.7 | -44.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 181 | G | 58.1 | Low | 65 | Low | 33 Ų | 33 | 91.5 Ų | 91.5 | 34% | 0.34 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -125.2 | 142.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | S179 I183 | S179-G181 PolarHBondContact O-N 2.94Å; G181-I183 PolarHBondContact O-N 3.36Å |
| 182 | S | 68.7 | Low | 66.6 | Low | 104 Ų | 104 | 87.8 Ų | 87.8 | 73% | 0.727 | 52% | 0.521 | S | S | * | . | trans | -49.6 | 110.4 | 179.7 | -57.3 | 0 | 0 | 0 | 0 | 111.4 | T184 P239 | S182-T184 PolarHBondContact O-N 3.37Å; S182-P239 WeakPolarHBondContact O-CD 3.24Å | ||
| 183 | I | 80.5 | Confident | 68.4 | Low | 130 Ų | 130 | 89 Ų | 89 | 67% | 0.667 | 52% | 0.521 | S | S | * | . | trans | -71.2 | 111.9 | 175.8 | -59.1 | 172.1 | 0 | 0 | 0 | 107.5 | G181 G237 | G181-I183 PolarHBondContact O-N 3.36Å; I183-G237 CarbonylContact C-O 3.59Å | ||
| 184 | T | 85.1 | Confident | 70.5 | Confident | 49 Ų | 49 | 84.7 Ų | 84.7 | 30% | 0.301 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 140.8 | 170.3 | 54.2 | 0 | 0 | 0 | 0 | 109.8 | S182 S236 G237 P239 | S182-T184 PolarHBondContact O-N 3.37Å; T184-S236 WeakPolarHBondContact O-CA 3.28Å; T184-G237 PolarHBondContact N-O 3.2Å; T184-G237 PolarHBondContact O-N 3.12Å; T184-G237 VanDerWaalsContact O-O 3.08Å; T184-G237 PolarHBondContact OG1-O 2.89Å; T184-G237 VanDerWaalsContact OG1-O 3.11Å; T184-P239 HydrophobicContact CG2-CB 4Å; T184-P239 HydrophobicContact CG2-CG 4.36Å; T184-P239 VanDerWaalsContact OG1-CA 3.27Å; T184-P239 WeakPolarHBondContact OG1-CA 3.46Å |
| 185 | T | 88.2 | Confident | 72 | Confident | 72 Ų | 72 | 78.5 Ų | 78.5 | 44% | 0.442 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 123.2 | 173.3 | -58.9 | 0 | 0 | 0 | 0 | 108.2 | R234 I235 | T185-R234 HydrophobicContact CG2-CG 3.27Å; T185-I235 CarbonylContact C-O 3.56Å; T185-I235 WeakPolarHBondContact CA-O 3.47Å |
| 186 | I | 88 | Confident | 74 | Confident | 46 Ų | 46 | 74.3 Ų | 74.3 | 24% | 0.236 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 152.2 | 173.7 | 65.1 | 172.3 | 0 | 0 | 0 | 109.4 | R234 I235 V242 R246 | I186-R234 CarbonylContact O-C 3.5Å; I186-R234 WeakPolarHBondContact O-CA 3.49Å; I186-I235 HydrophobicContact CD1-CB 4.29Å; I186-I235 HydrophobicContact CD1-CD1 4.39Å; I186-I235 HydrophobicContact CG1-CB 3.85Å; I186-I235 PolarHBondContact N-O 3.32Å; I186-I235 PolarHBondContact O-N 3.25Å; I186-V242 HydrophobicContact CB-CG1 4.22Å; I186-V242 HydrophobicContact CD1-CG1 3.3Å; I186-V242 HydrophobicContact CG1-CG1 3.37Å; I186-V242 HydrophobicContact CG2-CG1 3.9Å; I186-R246 HydrophobicContact CD1-CB 3.73Å; I186-R246 HydrophobicContact CD1-CG 4.01Å |
| 187 | E | 89.1 | Confident | 75.8 | Confident | 132 Ų | 132 | 73.2 Ų | 73.2 | 62% | 0.617 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 130.4 | 173.9 | -64.7 | -175.3 | 159.1 | 0 | 0 | 108.4 | L233 R234 | E187-L233 WeakPolarHBondContact CA-O 3.45Å; E187-R234 HydrophobicContact CG-CB 4.34Å; E187-R234 HydrophobicContact CG-CG 4.02Å |
| 188 | M | 86.1 | Confident | 77.7 | Confident | 22 Ų | 22 | 67 Ų | 67 | 11% | 0.108 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 144.4 | 174.2 | 68.1 | -178.8 | -65.2 | 0 | 0 | 110.4 | V190 L233 I235 R246 V249 I253 | M188-V190 HydrophobicContact CG-CG2 4.32Å; M188-L233 HydrophobicContact CG-CB 3.96Å; M188-L233 HydrophobicContact CG-CD2 4.2Å; M188-L233 HydrophobicContact CG-CG 4.45Å; M188-L233 PolarHBondContact N-O 2.77Å; M188-L233 PolarHBondContact O-N 3.05Å; M188-L233 HydrophobicContact SD-CD2 4.11Å; M188-I235 HydrophobicContact SD-CD1 3.81Å; M188-R246 HydrophobicContact CE-CG 4.45Å; M188-R246 HydrophobicContact SD-CG 3.98Å; M188-V249 HydrophobicContact CE-CB 4.16Å; M188-V249 HydrophobicContact CE-CG1 3.67Å; M188-V249 HydrophobicContact SD-CB 3.97Å; M188-V249 HydrophobicContact SD-CG1 3.7Å; M188-I253 HydrophobicContact CE-CD1 3.95Å |
| 189 | M | 85.6 | Confident | 79.9 | Confident | 125 Ų | 125 | 61.9 Ų | 61.9 | 62% | 0.616 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 123.1 | 178.8 | -60.6 | -146.5 | 94.4 | 0 | 0 | 109.9 | D230 | M189-D230 HydrophobicContact CB-CB 4.13Å; M189-D230 HydrophobicContact CE-CB 3.93Å; M189-D230 HydrophobicContact SD-CB 4.32Å |
| 190 | V | 85.6 | Confident | 81.6 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 120.1 | 178.9 | -177.9 | 0 | 0 | 0 | 0 | 108.7 | M188 G192 A195 V198 K231 L233 V249 I253 | M188-V190 HydrophobicContact CG-CG2 4.32Å; V190-G192 PolarHBondContact O-N 3.43Å; V190-A195 HydrophobicContact CG1-CB 4.16Å; V190-V198 HydrophobicContact CG1-CG2 3.97Å; V190-K231 PolarHBondContact N-O 3.09Å; V190-K231 PolarHBondContact O-N 3.42Å; V190-L233 HydrophobicContact CG2-CB 3.64Å; V190-L233 HydrophobicContact CG2-CD2 4.13Å; V190-V249 HydrophobicContact CG2-CG1 4.48Å; V190-I253 HydrophobicContact CB-CD1 4.13Å; V190-I253 HydrophobicContact CG1-CD1 3.74Å; V190-I253 HydrophobicContact CG1-CG1 4.06Å; V190-I253 HydrophobicContact CG2-CD1 3.74Å |
| 191 | P | 84.1 | Confident | 83.1 | Confident | 39 Ų | 39 | 56.2 Ų | 56.2 | 25% | 0.253 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -52.6 | 133.4 | 179 | -28.1 | 35.1 | 0 | 0 | 0 | 111.8 | L193 K194 A195 D230 I253 | P191-L193 PolarHBondContact O-N 3.13Å; P191-L193 VanDerWaalsContact O-N 3.13Å; P191-K194 HydrophobicContact CB-CB 4.3Å; P191-K194 HydrophobicContact CB-CD 4.29Å; P191-K194 HydrophobicContact CB-CG 4.34Å; P191-K194 HydrophobicContact CG-CD 4.22Å; P191-K194 CarbonylContact O-C 3.55Å; P191-K194 WeakPolarHBondContact O-CA 3.42Å; P191-K194 PolarHBondContact O-N 3.44Å; P191-A195 PolarHBondContact O-N 3.45Å; P191-D230 VanDerWaalsContact CA-OD1 3.23Å; P191-D230 WeakPolarHBondContact CA-OD1 3.42Å; P191-I253 HydrophobicContact CG-CG2 4.41Å |
| 192 | G | 80.3 | Confident | 84.3 | Confident | 16 Ų | 16 | 61.4 Ų | 61.4 | 17% | 0.165 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -54.3 | -37.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | V190 K194 A195 E229 | V190-G192 PolarHBondContact O-N 3.43Å; G192-K194 VanDerWaalsContact C-N 3.28Å; G192-K194 PolarHBondContact O-N 3.38Å; G192-A195 PolarHBondContact O-N 2.63Å; G192-E229 WeakPolarHBondContact CA-O 3.18Å; G192-E229 PolarHBondContact N-O 2.86Å |
| 193 | L | 80.4 | Confident | 85.1 | Confident | 146 Ų | 146 | 57.4 Ų | 57.4 | 76% | 0.764 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -65.6 | -27.7 | 175.3 | -61.8 | 174.9 | 0 | 0 | 0 | 113.4 | P191 | P191-L193 PolarHBondContact O-N 3.13Å; P191-L193 VanDerWaalsContact O-N 3.13Å |
| 194 | K | 84.8 | Confident | 85.5 | Confident | 26 Ų | 26 | 56.6 Ų | 56.6 | 11% | 0.113 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -100.6 | -13.1 | -179.6 | -62.8 | -179.6 | 178.6 | 177.4 | 0 | 113.4 | P191 G192 G196 L197 V198 I253 D257 | P191-K194 HydrophobicContact CB-CB 4.3Å; P191-K194 HydrophobicContact CB-CD 4.29Å; P191-K194 HydrophobicContact CB-CG 4.34Å; P191-K194 HydrophobicContact CG-CD 4.22Å; P191-K194 CarbonylContact O-C 3.55Å; P191-K194 WeakPolarHBondContact O-CA 3.42Å; P191-K194 PolarHBondContact O-N 3.44Å; G192-K194 VanDerWaalsContact C-N 3.28Å; G192-K194 PolarHBondContact O-N 3.38Å; K194-G196 PolarHBondContact O-N 2.99Å; K194-L197 HydrophobicContact CB-CD1 4.28Å; K194-L197 HydrophobicContact CG-CD1 4.29Å; K194-L197 VanDerWaalsContact O-CB 3.29Å; K194-L197 WeakPolarHBondContact O-CB 3.25Å; K194-L197 PolarHBondContact O-N 3.25Å; K194-V198 PolarHBondContact O-N 2.94Å; K194-I253 HydrophobicContact CD-CB 4.44Å; K194-I253 HydrophobicContact CD-CG2 3.64Å; K194-I253 VanDerWaalsContact CD-O 3.27Å; K194-I253 WeakPolarHBondContact CD-O 3.45Å; K194-I253 VanDerWaalsContact CE-O 3.28Å; K194-I253 WeakPolarHBondContact CE-O 3.45Å; K194-I253 PolarHBondContact NZ-O 3.29Å; K194-D257 VanDerWaalsContact CE-CG 3.49Å; K194-D257 WeakPolarHBondContact CE-OD1 3.48Å; K194-D257 IonicContact NZ-OD1 2.76Å; K194-D257 PolarHBondContact NZ-OD1 3.15Å; K194-D257 IonicContact NZ-OD2 2.58Å; K194-D257 PolarHBondContact NZ-OD2 2.93Å |
| 195 | A | 86.3 | Confident | 85.7 | Confident | 4 Ų | 4 | 56.2 Ų | 56.2 | 3% | 0.033 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -56.3 | -38.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | V190 P191 G192 L197 V198 I199 L219 K231 | V190-A195 HydrophobicContact CG1-CB 4.16Å; P191-A195 PolarHBondContact O-N 3.45Å; G192-A195 PolarHBondContact O-N 2.63Å; A195-L197 PolarHBondContact O-N 3.27Å; A195-V198 PolarHBondContact O-N 3.25Å; A195-V198 VanDerWaalsContact O-N 3.15Å; A195-I199 VanDerWaalsContact O-CG1 3.22Å; A195-I199 WeakPolarHBondContact O-CG1 3.41Å; A195-I199 PolarHBondContact O-N 3.18Å; A195-L219 HydrophobicContact CB-CD2 4.07Å; A195-K231 HydrophobicContact CB-CD 4.28Å |
| 196 | G | 85.9 | Confident | 85.8 | Confident | 45 Ų | 45 | 53.6 Ų | 53.6 | 46% | 0.464 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.4 | -29.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | K194 G200 | K194-G196 PolarHBondContact O-N 2.99Å; G196-G200 WeakPolarHBondContact O-CA 3.46Å; G196-G200 PolarHBondContact O-N 2.95Å |
| 197 | L | 85.7 | Confident | 85.9 | Confident | 49 Ų | 49 | 58 Ų | 58 | 26% | 0.257 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -74.4 | -36.8 | 176 | -61.6 | 167.3 | 0 | 0 | 0 | 112 | K194 A195 R256 | K194-L197 HydrophobicContact CB-CD1 4.28Å; K194-L197 HydrophobicContact CG-CD1 4.29Å; K194-L197 VanDerWaalsContact O-CB 3.29Å; K194-L197 WeakPolarHBondContact O-CB 3.25Å; K194-L197 PolarHBondContact O-N 3.25Å; A195-L197 PolarHBondContact O-N 3.27Å; L197-R256 HydrophobicContact CD1-CB 3.69Å; L197-R256 HydrophobicContact CD1-CG 4.1Å |
| 198 | V | 88 | Confident | 86 | Confident | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.018 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -71.7 | -40.4 | 176.9 | -179.8 | 0 | 0 | 0 | 0 | 110.7 | V190 K194 A195 I206 L233 V249 I253 | V190-V198 HydrophobicContact CG1-CG2 3.97Å; K194-V198 PolarHBondContact O-N 2.94Å; A195-V198 PolarHBondContact O-N 3.25Å; A195-V198 VanDerWaalsContact O-N 3.15Å; V198-I206 WeakPolarHBondContact O-CB 3.5Å; V198-I206 PolarHBondContact O-N 3.32Å; V198-I206 VanDerWaalsContact O-N 3.15Å; V198-L233 HydrophobicContact CG1-CD2 4.18Å; V198-V249 HydrophobicContact CG1-CG1 3.97Å; V198-V249 HydrophobicContact CG1-CG2 4.26Å; V198-V249 HydrophobicContact CG2-CG1 4.04Å; V198-I253 HydrophobicContact CG2-CD1 4.36Å; V198-I253 HydrophobicContact CG2-CG1 3.86Å |
| 199 | I | 86.7 | Confident | 86.3 | Confident | 44 Ų | 44 | 55.5 Ų | 55.5 | 23% | 0.226 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -70 | -49.1 | 177.5 | -59.4 | 165.8 | 0 | 0 | 0 | 110.7 | A195 G203 T205 I206 L219 | A195-I199 VanDerWaalsContact O-CG1 3.22Å; A195-I199 WeakPolarHBondContact O-CG1 3.41Å; A195-I199 PolarHBondContact O-N 3.18Å; I199-G203 CarbonylContact O-C 3.56Å; I199-G203 WeakPolarHBondContact O-CA 3.5Å; I199-T205 PolarHBondContact O-N 3.38Å; I199-I206 HydrophobicContact CG2-CG2 4.18Å; I199-I206 PolarHBondContact O-N 3.3Å; I199-I206 VanDerWaalsContact O-N 3.12Å; I199-L219 HydrophobicContact CD1-CD2 3.39Å; I199-L219 HydrophobicContact CG1-CD2 4Å |
| 200 | G | 85.6 | Confident | 86.5 | Confident | 9 Ų | 9 | 52 Ų | 52 | 9% | 0.093 | 28% | 0.284 | C | S | . | . | trans | 81.2 | 155.9 | -166.1 | 0 | 0 | 0 | 0 | 0 | 113 | G196 N202 G203 Y265 | G196-G200 WeakPolarHBondContact O-CA 3.46Å; G196-G200 PolarHBondContact O-N 2.95Å; G200-N202 PolarHBondContact O-N 3.4Å; G200-G203 PolarHBondContact O-N 3.12Å; G200-Y265 WeakPolarHBondContact CA-OH 3.09Å | ||
| 201 | K | 81.9 | Confident | 86.7 | Confident | 86 Ų | 86 | 58.9 Ų | 58.9 | 37% | 0.374 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -35.9 | -43.5 | 175.3 | -78.8 | 172.6 | -171.2 | 173.7 | 0 | 114.7 | M263 Y265 | K201-M263 HydrophobicContact CD-SD 4.02Å; K201-M263 WeakPolarHBondContact CE-SD 3.41Å; K201-M263 HydrophobicContact CG-CE 3.68Å; K201-M263 HydrophobicContact CG-SD 3.58Å; K201-M263 VanDerWaalsContact CG-SD 3.58Å; K201-M263 PolarHBondContact NZ-O 3.27Å; K201-Y265 HydrophobicContact CB-CD2 4.31Å; K201-Y265 HydrophobicContact CB-CE1 4.2Å; K201-Y265 HydrophobicContact CB-CE2 3.52Å; K201-Y265 VanDerWaalsContact CB-CZ 3.46Å; K201-Y265 HydrophobicContact CD-CD1 4.12Å; K201-Y265 HydrophobicContact CD-CD2 3.13Å; K201-Y265 HydrophobicContact CD-CE1 4.25Å; K201-Y265 HydrophobicContact CD-CE2 3.28Å; K201-Y265 HydrophobicContact CD-CG 3.58Å; K201-Y265 HydrophobicContact CG-CD2 3.59Å; K201-Y265 HydrophobicContact CG-CE1 4.49Å; K201-Y265 HydrophobicContact CG-CE2 3.14Å; K201-Y265 HydrophobicContact CG-CG 4.41Å; K201-Y265 VanDerWaalsContact N-CZ 3.34Å; K201-Y265 PolarHBondContact N-OH 2.92Å |
| 202 | N | 83.9 | Confident | 87 | Confident | 143 Ų | 143 | 62.6 Ų | 62.6 | 77% | 0.765 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.6 | 20.5 | -177.1 | -64.6 | -40.3 | 0 | 0 | 0 | 113.3 | G200 E204 | G200-N202 PolarHBondContact O-N 3.4Å; N202-E204 PolarHBondContact O-N 3.04Å |
| 203 | G | 85.1 | Confident | 87.4 | Confident | 19 Ų | 19 | 62 Ų | 62 | 20% | 0.196 | 32% | 0.324 | C | S | . | . | S | Bend | trans | 69.7 | 9.9 | -168.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | I199 G200 I206 K207 | I199-G203 CarbonylContact O-C 3.56Å; I199-G203 WeakPolarHBondContact O-CA 3.5Å; G200-G203 PolarHBondContact O-N 3.12Å; G203-I206 VanDerWaalsContact O-CG2 3.23Å; G203-I206 WeakPolarHBondContact O-CG2 3.22Å; G203-K207 WeakPolarHBondContact O-CB 3.27Å; G203-K207 PolarHBondContact O-N 3.44Å |
| 204 | E | 88.2 | Confident | 87.8 | Confident | 113 Ų | 113 | 56.8 Ų | 56.8 | 53% | 0.528 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.6 | -41.3 | -177.1 | -175.1 | -179.8 | -178.4 | 0 | 0 | 111.7 | N202 K207 N208 | N202-E204 PolarHBondContact O-N 3.04Å; E204-K207 PolarHBondContact O-N 3.26Å; E204-N208 WeakPolarHBondContact O-CB 3.32Å; E204-N208 PolarHBondContact O-N 3.34Å |
| 205 | T | 89.5 | Confident | 88.2 | Confident | 41 Ų | 41 | 56 Ų | 56 | 25% | 0.252 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.4 | -48.3 | -178.6 | -53.1 | 0 | 0 | 0 | 0 | 111 | I199 K207 N208 L209 L252 | I199-T205 PolarHBondContact O-N 3.38Å; T205-K207 VanDerWaalsContact C-N 3.29Å; T205-K207 PolarHBondContact O-N 3.15Å; T205-N208 PolarHBondContact O-N 2.85Å; T205-L209 HydrophobicContact CG2-CD1 4.16Å; T205-L209 WeakPolarHBondContact O-CB 3.32Å; T205-L209 VanDerWaalsContact O-CG 3.29Å; T205-L209 WeakPolarHBondContact O-CG 3.29Å; T205-L209 PolarHBondContact O-N 2.83Å; T205-L252 HydrophobicContact CG2-CD1 4.31Å |
| 206 | I | 90.6 | Very high | 88.4 | Confident | 17 Ų | 17 | 60 Ų | 60 | 9% | 0.087 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.8 | -33.6 | 176.3 | -167 | 174.8 | 0 | 0 | 0 | 111.5 | V198 I199 G203 Q210 M217 L233 | V198-I206 WeakPolarHBondContact O-CB 3.5Å; V198-I206 PolarHBondContact O-N 3.32Å; V198-I206 VanDerWaalsContact O-N 3.15Å; I199-I206 HydrophobicContact CG2-CG2 4.18Å; I199-I206 PolarHBondContact O-N 3.3Å; I199-I206 VanDerWaalsContact O-N 3.12Å; G203-I206 VanDerWaalsContact O-CG2 3.23Å; G203-I206 WeakPolarHBondContact O-CG2 3.22Å; I206-Q210 WeakPolarHBondContact O-CB 3.47Å; I206-Q210 WeakPolarHBondContact O-CG 3.26Å; I206-Q210 PolarHBondContact O-N 3.16Å; I206-Q210 PolarHBondContact O-NE2 3.47Å; I206-M217 HydrophobicContact CD1-CB 4.05Å; I206-M217 HydrophobicContact CG1-CB 3.93Å; I206-M217 HydrophobicContact CG1-SD 4.17Å; I206-L233 HydrophobicContact CD1-CD1 4.13Å |
| 207 | K | 91 | Very high | 88.6 | Confident | 138 Ų | 138 | 58.1 Ų | 58.1 | 60% | 0.6 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -67.3 | -44.7 | 175.5 | -173.7 | -179.1 | 177.3 | -169.9 | 0 | 111.3 | G203 E204 T205 Q210 E211 | G203-K207 WeakPolarHBondContact O-CB 3.27Å; G203-K207 PolarHBondContact O-N 3.44Å; E204-K207 PolarHBondContact O-N 3.26Å; T205-K207 VanDerWaalsContact C-N 3.29Å; T205-K207 PolarHBondContact O-N 3.15Å; K207-Q210 WeakPolarHBondContact O-CB 3.16Å; K207-Q210 PolarHBondContact O-N 2.97Å; K207-E211 WeakPolarHBondContact O-CB 3.28Å; K207-E211 PolarHBondContact O-N 3.02Å |
| 208 | N | 91.5 | Very high | 88.8 | Confident | 91 Ų | 91 | 58.6 Ų | 58.6 | 49% | 0.487 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 176.3 | -170.9 | 54.8 | 0 | 0 | 0 | 111.4 | E204 T205 Q210 E211 E212 | E204-N208 WeakPolarHBondContact O-CB 3.32Å; E204-N208 PolarHBondContact O-N 3.34Å; T205-N208 PolarHBondContact O-N 2.85Å; N208-Q210 VanDerWaalsContact C-N 3.28Å; N208-Q210 PolarHBondContact O-N 3.1Å; N208-E211 PolarHBondContact O-N 3.3Å; N208-E212 WeakPolarHBondContact O-CB 3.2Å; N208-E212 PolarHBondContact O-N 3.01Å |
| 209 | L | 90.7 | Very high | 88.7 | Confident | 11 Ų | 11 | 59.7 Ų | 59.7 | 6% | 0.058 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61 | -36.9 | 175.5 | -74.5 | 165.6 | 0 | 0 | 0 | 112.7 | T205 N213 M217 A248 V249 L252 | T205-L209 HydrophobicContact CG2-CD1 4.16Å; T205-L209 WeakPolarHBondContact O-CB 3.32Å; T205-L209 VanDerWaalsContact O-CG 3.29Å; T205-L209 WeakPolarHBondContact O-CG 3.29Å; T205-L209 PolarHBondContact O-N 2.83Å; L209-N213 WeakPolarHBondContact O-CB 3.25Å; L209-N213 PolarHBondContact O-N 2.93Å; L209-N213 PolarHBondContact O-ND2 3.31Å; L209-M217 HydrophobicContact CB-CE 3.78Å; L209-M217 HydrophobicContact CB-SD 3.78Å; L209-A248 HydrophobicContact CD2-CB 3.91Å; L209-V249 HydrophobicContact CD1-CG2 4.23Å; L209-L252 HydrophobicContact CD1-CD1 3.59Å; L209-L252 HydrophobicContact CD2-CD1 4.2Å; L209-L252 HydrophobicContact CG-CD1 4.39Å |
| 210 | Q | 90.9 | Very high | 88.5 | Confident | 51 Ų | 51 | 60.4 Ų | 60.4 | 24% | 0.238 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.1 | -47.3 | 174.6 | -77.2 | 175.2 | 91 | 0 | 0 | 112 | I206 K207 N208 G214 V215 M217 | I206-Q210 WeakPolarHBondContact O-CB 3.47Å; I206-Q210 WeakPolarHBondContact O-CG 3.26Å; I206-Q210 PolarHBondContact O-N 3.16Å; I206-Q210 PolarHBondContact O-NE2 3.47Å; K207-Q210 WeakPolarHBondContact O-CB 3.16Å; K207-Q210 PolarHBondContact O-N 2.97Å; N208-Q210 VanDerWaalsContact C-N 3.28Å; N208-Q210 PolarHBondContact O-N 3.1Å; Q210-G214 WeakPolarHBondContact O-CA 2.99Å; Q210-G214 PolarHBondContact O-N 3.43Å; Q210-V215 CarbonylContact C-O 3.58Å; Q210-V215 VanDerWaalsContact CA-O 3.23Å; Q210-V215 WeakPolarHBondContact CA-O 3.27Å; Q210-V215 WeakPolarHBondContact CB-O 3.47Å; Q210-V215 VanDerWaalsContact CG-O 3.31Å; Q210-V215 WeakPolarHBondContact CG-O 3.37Å; Q210-V215 PolarHBondContact O-N 2.97Å; Q210-M217 HydrophobicContact CG-CB 3.49Å; Q210-M217 VanDerWaalsContact CG-CB 3.49Å; Q210-M217 HydrophobicContact CG-CG 3.49Å; Q210-M217 VanDerWaalsContact CG-CG 3.49Å; Q210-M217 HydrophobicContact CG-SD 3.89Å; Q210-M217 PolarHBondContact OE1-O 3.33Å |
| 211 | E | 89.9 | Confident | 87.7 | Confident | 145 Ų | 145 | 64.4 Ų | 64.4 | 68% | 0.678 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -66.8 | -47 | -179.1 | -174.7 | 169.3 | -177.9 | 0 | 0 | 112.1 | K207 N208 N213 G214 | K207-E211 WeakPolarHBondContact O-CB 3.28Å; K207-E211 PolarHBondContact O-N 3.02Å; N208-E211 PolarHBondContact O-N 3.3Å; E211-N213 VanDerWaalsContact C-N 3.35Å; E211-N213 PolarHBondContact O-N 3.02Å; E211-G214 PolarHBondContact O-N 3.48Å |
| 212 | E | 89.3 | Confident | 86.7 | Confident | 117 Ų | 117 | 68.7 Ų | 68.7 | 55% | 0.547 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.8 | -40.9 | -179.1 | -173.8 | -170.2 | 154.4 | 0 | 0 | 112.3 | N208 | N208-E212 WeakPolarHBondContact O-CB 3.2Å; N208-E212 PolarHBondContact O-N 3.01Å |
| 213 | N | 89.6 | Confident | 85.5 | Confident | 5 Ų | 5 | 64 Ų | 64 | 3% | 0.027 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -91.9 | -14.2 | -178 | -64.1 | -78 | 0 | 0 | 0 | 112.6 | L209 E211 V215 R241 A245 | L209-N213 WeakPolarHBondContact O-CB 3.25Å; L209-N213 PolarHBondContact O-N 2.93Å; L209-N213 PolarHBondContact O-ND2 3.31Å; E211-N213 VanDerWaalsContact C-N 3.35Å; E211-N213 PolarHBondContact O-N 3.02Å; N213-V215 VanDerWaalsContact C-N 3.34Å; N213-V215 HydrophobicContact CB-CG1 4.17Å; N213-V215 HydrophobicContact CB-CG2 3.98Å; N213-R241 WeakPolarHBondContact O-CB 3.37Å; N213-R241 VanDerWaalsContact O-CD 3.26Å; N213-R241 WeakPolarHBondContact O-CD 3.44Å; N213-R241 WeakPolarHBondContact O-CG 3.27Å; N213-R241 PolarHBondContact O-NH1 3.03Å; N213-A245 HydrophobicContact CB-CB 3.93Å |
| 214 | G | 88.3 | Confident | 84.4 | Confident | 35 Ų | 35 | 70.3 Ų | 70.3 | 36% | 0.361 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65 | 38.7 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q210 E211 | Q210-G214 WeakPolarHBondContact O-CA 2.99Å; Q210-G214 PolarHBondContact O-N 3.43Å; E211-G214 PolarHBondContact O-N 3.48Å |
| 215 | V | 93 | Very high | 82.9 | Confident | 9 Ų | 9 | 69.9 Ų | 69.9 | 6% | 0.055 | 36% | 0.358 | C | S | . | . | trans | -121.6 | 154.1 | 178.8 | -57.3 | 0 | 0 | 0 | 0 | 110 | Q210 N213 M217 I235 S236 R241 V242 A245 | Q210-V215 CarbonylContact C-O 3.58Å; Q210-V215 VanDerWaalsContact CA-O 3.23Å; Q210-V215 WeakPolarHBondContact CA-O 3.27Å; Q210-V215 WeakPolarHBondContact CB-O 3.47Å; Q210-V215 VanDerWaalsContact CG-O 3.31Å; Q210-V215 WeakPolarHBondContact CG-O 3.37Å; Q210-V215 PolarHBondContact O-N 2.97Å; N213-V215 VanDerWaalsContact C-N 3.34Å; N213-V215 HydrophobicContact CB-CG1 4.17Å; N213-V215 HydrophobicContact CB-CG2 3.98Å; V215-M217 HydrophobicContact CG2-CE 3.4Å; V215-M217 HydrophobicContact CG2-CG 3.96Å; V215-I235 HydrophobicContact CB-CG2 4.06Å; V215-I235 HydrophobicContact CG2-CG2 3.86Å; V215-S236 CarbonylContact C-O 3.58Å; V215-S236 WeakPolarHBondContact CA-O 3.35Å; V215-R241 HydrophobicContact CG1-CB 3.67Å; V215-V242 HydrophobicContact CG1-CG2 4.03Å; V215-A245 HydrophobicContact CG1-CB 4.2Å; V215-A245 HydrophobicContact CG2-CB 3.63Å | ||
| 216 | K | 92 | Very high | 81.4 | Confident | 88 Ų | 88 | 73.6 Ų | 73.6 | 38% | 0.383 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 119 | 172.1 | 172.9 | 175.4 | -173.6 | 171.5 | 0 | 109.4 | V218 I235 S236 | K216-V218 HydrophobicContact CG-CG2 4.24Å; K216-I235 CarbonylContact O-C 3.53Å; K216-S236 WeakPolarHBondContact CB-OG 3.26Å; K216-S236 PolarHBondContact N-O 3.14Å; K216-S236 PolarHBondContact O-N 3.12Å; K216-S236 PolarHBondContact O-OG 3.48Å |
| 217 | M | 89.5 | Confident | 80.1 | Confident | 6 Ų | 6 | 74.1 Ų | 74.1 | 3% | 0.03 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 126.9 | 179.7 | -59.9 | 177.2 | -178.6 | 0 | 0 | 109.6 | I206 L209 Q210 V215 L233 R234 I235 A245 V249 | I206-M217 HydrophobicContact CD1-CB 4.05Å; I206-M217 HydrophobicContact CG1-CB 3.93Å; I206-M217 HydrophobicContact CG1-SD 4.17Å; L209-M217 HydrophobicContact CB-CE 3.78Å; L209-M217 HydrophobicContact CB-SD 3.78Å; Q210-M217 HydrophobicContact CG-CB 3.49Å; Q210-M217 VanDerWaalsContact CG-CB 3.49Å; Q210-M217 HydrophobicContact CG-CG 3.49Å; Q210-M217 VanDerWaalsContact CG-CG 3.49Å; Q210-M217 HydrophobicContact CG-SD 3.89Å; Q210-M217 PolarHBondContact OE1-O 3.33Å; V215-M217 HydrophobicContact CG2-CE 3.4Å; V215-M217 HydrophobicContact CG2-CG 3.96Å; M217-L233 HydrophobicContact CB-CD1 4.38Å; M217-R234 CarbonylContact C-O 3.52Å; M217-R234 WeakPolarHBondContact CA-O 3.16Å; M217-I235 HydrophobicContact CE-CG2 4.47Å; M217-I235 HydrophobicContact CG-CG1 4.21Å; M217-I235 HydrophobicContact CG-CG2 4.18Å; M217-A245 HydrophobicContact CE-CB 3.49Å; M217-A245 VanDerWaalsContact CE-CB 3.49Å; M217-V249 HydrophobicContact CE-CG2 4.41Å; M217-V249 HydrophobicContact SD-CG2 4.42Å |
| 218 | V | 89.8 | Confident | 78.9 | Confident | 60 Ų | 60 | 72.5 Ų | 72.5 | 36% | 0.364 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 115.9 | 178.3 | -176.9 | 0 | 0 | 0 | 0 | 108.5 | K216 I220 R234 | K216-V218 HydrophobicContact CG-CG2 4.24Å; V218-I220 PolarHBondContact O-N 3.33Å; V218-R234 PolarHBondContact N-O 3.34Å; V218-R234 PolarHBondContact O-N 3.24Å |
| 219 | L | 85.9 | Confident | 77.9 | Confident | 25 Ų | 25 | 73.2 Ų | 73.2 | 13% | 0.131 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 114.6 | 170.8 | -172.1 | 73.6 | 0 | 0 | 0 | 108.5 | A195 I199 Q221 K231 L233 | A195-L219 HydrophobicContact CB-CD2 4.07Å; I199-L219 HydrophobicContact CD1-CD2 3.39Å; I199-L219 HydrophobicContact CG1-CD2 4Å; L219-Q221 HydrophobicContact CD2-CG 4.28Å; L219-Q221 HydrophobicContact CG-CG 4.46Å; L219-Q221 PolarHBondContact O-N 3.36Å; L219-K231 HydrophobicContact CD1-CB 3.87Å; L219-K231 HydrophobicContact CD2-CD 4.33Å; L219-K231 HydrophobicContact CG-CB 4.35Å; L219-L233 HydrophobicContact CB-CD1 4.08Å; L219-L233 HydrophobicContact CD1-CB 4Å; L219-L233 HydrophobicContact CD1-CD1 4.11Å |
| 220 | I | 82.9 | Confident | 77.5 | Confident | 59 Ų | 59 | 76.7 Ų | 76.7 | 30% | 0.303 | 41% | 0.41 | S | S | . | . | trans | -79.2 | 104.5 | 177.4 | -60 | 171.5 | 0 | 0 | 0 | 107.1 | V218 Q222 P232 R234 | V218-I220 PolarHBondContact O-N 3.33Å; I220-Q222 HydrophobicContact CG2-CG 4.45Å; I220-P232 HydrophobicContact CB-CG 4.06Å; I220-P232 HydrophobicContact CG2-CG 4.38Å; I220-P232 PolarHBondContact N-O 3.2Å; I220-R234 HydrophobicContact CD1-CB 4.26Å | ||
| 221 | Q | 68.9 | Low | 77.2 | Confident | 93 Ų | 93 | 75.3 Ų | 75.3 | 44% | 0.435 | 40% | 0.403 | S | S | . | . | trans | -90.9 | 105.1 | 172 | -60.6 | -177.4 | 11.5 | 0 | 0 | 108.1 | L219 S223 | L219-Q221 HydrophobicContact CD2-CG 4.28Å; L219-Q221 HydrophobicContact CG-CG 4.46Å; L219-Q221 PolarHBondContact O-N 3.36Å; Q221-S223 PolarHBondContact O-N 3.26Å | ||
| 222 | Q | 61.1 | Low | 77 | Confident | 177 Ų | 177 | 69.6 Ų | 69.6 | 83% | 0.827 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -70.6 | -18.2 | 170.3 | -70.2 | -178.9 | -62.6 | 0 | 0 | 111.7 | I220 | I220-Q222 HydrophobicContact CG2-CG 4.45Š|
| 223 | S | 58.5 | Low | 77.1 | Confident | 43 Ų | 43 | 64 Ų | 64 | 30% | 0.301 | 35% | 0.353 | S | S | . | . | trans | -149.5 | 146.2 | 170.5 | 71.6 | 0 | 0 | 0 | 0 | 110.9 | Q221 N225 | Q221-S223 PolarHBondContact O-N 3.26Å; S223-N225 PolarHBondContact O-N 2.97Å | ||
| 224 | N | 60.4 | Low | 77.2 | Confident | 152 Ų | 152 | 68.4 Ų | 68.4 | 81% | 0.813 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -76 | 8.2 | 175.9 | -163.5 | 25.6 | 0 | 0 | 0 | 112.5 | ||
| 225 | N | 58.2 | Low | 77.3 | Confident | 104 Ų | 104 | 66.8 Ų | 66.8 | 56% | 0.556 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -89 | 141.9 | -178.1 | -147.8 | 27.8 | 0 | 0 | 0 | 109.4 | S223 T227 K231 | S223-N225 PolarHBondContact O-N 2.97Å; N225-T227 HydrophobicContact CB-CG2 4.39Å; N225-T227 PolarHBondContact O-N 2.91Å; N225-T227 PolarHBondContact O-OG1 3.37Å; N225-K231 PolarHBondContact O-NZ 3.02Å; N225-K231 VanDerWaalsContact O-NZ 3.11Å |
| 226 | P | 57.9 | Low | 77.2 | Confident | 119 Ų | 119 | 66.9 Ų | 66.9 | 77% | 0.773 | 35% | 0.353 | S | S | * | . | trans | -73.2 | 75 | 168.9 | 30.6 | -34.2 | 0 | 0 | 0 | 109 | ||||
| 227 | T | 63.2 | Low | 77.1 | Confident | 29 Ų | 29 | 63.2 Ų | 63.2 | 18% | 0.178 | 34% | 0.34 | C | S | . | . | trans | -79.3 | 143.3 | 168.6 | 38 | 0 | 0 | 0 | 0 | 109.4 | N225 E229 | N225-T227 HydrophobicContact CB-CG2 4.39Å; N225-T227 PolarHBondContact O-N 2.91Å; N225-T227 PolarHBondContact O-OG1 3.37Å; T227-E229 WeakPolarHBondContact CB-OE1 3.23Å; T227-E229 WeakPolarHBondContact CG2-OE1 3.35Å; T227-E229 PolarHBondContact O-N 3.3Å; T227-E229 VanDerWaalsContact OG1-CD 3.26Å; T227-E229 VanDerWaalsContact OG1-CG 3.31Å; T227-E229 WeakPolarHBondContact OG1-CG 3.31Å; T227-E229 PolarHBondContact OG1-OE1 3.4Å | ||
| 228 | P | 65 | Low | 77.1 | Confident | 104 Ų | 104 | 66.2 Ų | 66.2 | 68% | 0.675 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -69.9 | -2.2 | 174.1 | 29.9 | -35.1 | 0 | 0 | 0 | 112.9 | ||
| 229 | E | 71.6 | Confident | 77 | Confident | 105 Ų | 105 | 66.6 Ų | 66.6 | 49% | 0.491 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -69.2 | 152.5 | -179.6 | 72.7 | -159.2 | 155.4 | 0 | 0 | 112.5 | G192 T227 K231 | G192-E229 WeakPolarHBondContact CA-O 3.18Å; G192-E229 PolarHBondContact N-O 2.86Å; T227-E229 WeakPolarHBondContact CB-OE1 3.23Å; T227-E229 WeakPolarHBondContact CG2-OE1 3.35Å; T227-E229 PolarHBondContact O-N 3.3Å; T227-E229 VanDerWaalsContact OG1-CD 3.26Å; T227-E229 VanDerWaalsContact OG1-CG 3.31Å; T227-E229 WeakPolarHBondContact OG1-CG 3.31Å; T227-E229 PolarHBondContact OG1-OE1 3.4Å; E229-K231 PolarHBondContact O-N 3.02Å |
| 230 | D | 82.2 | Confident | 77.2 | Confident | 84 Ų | 84 | 68.9 Ų | 68.9 | 45% | 0.449 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 126.1 | 177.6 | -68.6 | -50.8 | 0 | 0 | 0 | 111 | M189 P191 | M189-D230 HydrophobicContact CB-CB 4.13Å; M189-D230 HydrophobicContact CE-CB 3.93Å; M189-D230 HydrophobicContact SD-CB 4.32Å; P191-D230 VanDerWaalsContact CA-OD1 3.23Å; P191-D230 WeakPolarHBondContact CA-OD1 3.42Å |
| 231 | K | 83.7 | Confident | 77.6 | Confident | 23 Ų | 23 | 70.1 Ų | 70.1 | 10% | 0.1 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 124.3 | 177.2 | -61.7 | -165.5 | 178 | -155.4 | 0 | 109.8 | V190 A195 L219 N225 E229 L233 | V190-K231 PolarHBondContact N-O 3.09Å; V190-K231 PolarHBondContact O-N 3.42Å; A195-K231 HydrophobicContact CB-CD 4.28Å; L219-K231 HydrophobicContact CD1-CB 3.87Å; L219-K231 HydrophobicContact CD2-CD 4.33Å; L219-K231 HydrophobicContact CG-CB 4.35Å; N225-K231 PolarHBondContact O-NZ 3.02Å; N225-K231 VanDerWaalsContact O-NZ 3.11Å; E229-K231 PolarHBondContact O-N 3.02Å; K231-L233 PolarHBondContact O-N 2.85Å |
| 232 | P | 87.2 | Confident | 78.7 | Confident | 24 Ų | 24 | 65.8 Ų | 65.8 | 16% | 0.156 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 121.3 | 177.7 | 16.5 | -17.9 | 0 | 0 | 0 | 111.2 | I220 | I220-P232 HydrophobicContact CB-CG 4.06Å; I220-P232 HydrophobicContact CG2-CG 4.38Å; I220-P232 PolarHBondContact N-O 3.2Å |
| 233 | L | 90.4 | Very high | 80.2 | Confident | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 117.8 | 171 | 179.9 | 70.4 | 0 | 0 | 0 | 109.4 | E187 M188 V190 V198 I206 M217 L219 K231 I235 V249 | E187-L233 WeakPolarHBondContact CA-O 3.45Å; M188-L233 HydrophobicContact CG-CB 3.96Å; M188-L233 HydrophobicContact CG-CD2 4.2Å; M188-L233 HydrophobicContact CG-CG 4.45Å; M188-L233 PolarHBondContact N-O 2.77Å; M188-L233 PolarHBondContact O-N 3.05Å; M188-L233 HydrophobicContact SD-CD2 4.11Å; V190-L233 HydrophobicContact CG2-CB 3.64Å; V190-L233 HydrophobicContact CG2-CD2 4.13Å; V198-L233 HydrophobicContact CG1-CD2 4.18Å; I206-L233 HydrophobicContact CD1-CD1 4.13Å; M217-L233 HydrophobicContact CB-CD1 4.38Å; L219-L233 HydrophobicContact CB-CD1 4.08Å; L219-L233 HydrophobicContact CD1-CB 4Å; L219-L233 HydrophobicContact CD1-CD1 4.11Å; K231-L233 PolarHBondContact O-N 2.85Å; L233-I235 HydrophobicContact CD2-CD1 4.21Å; L233-I235 HydrophobicContact CD2-CG1 4.24Å; L233-I235 HydrophobicContact CG-CG1 4.19Å; L233-V249 HydrophobicContact CD2-CB 4.43Å; L233-V249 HydrophobicContact CD2-CG1 3.74Å; L233-V249 HydrophobicContact CD2-CG2 4.01Å |
| 234 | R | 90.9 | Very high | 81.7 | Confident | 97 Ų | 97 | 65.5 Ų | 65.5 | 37% | 0.366 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 119.1 | 177.9 | -166.6 | 175.9 | 99.2 | 178.8 | 6.9 | 110.5 | T185 I186 E187 M217 V218 I220 | T185-R234 HydrophobicContact CG2-CG 3.27Å; I186-R234 CarbonylContact O-C 3.5Å; I186-R234 WeakPolarHBondContact O-CA 3.49Å; E187-R234 HydrophobicContact CG-CB 4.34Å; E187-R234 HydrophobicContact CG-CG 4.02Å; M217-R234 CarbonylContact C-O 3.52Å; M217-R234 WeakPolarHBondContact CA-O 3.16Å; V218-R234 PolarHBondContact N-O 3.34Å; V218-R234 PolarHBondContact O-N 3.24Å; I220-R234 HydrophobicContact CD1-CB 4.26Å |
| 235 | I | 91.9 | Very high | 83.3 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 121.2 | 178.7 | -49.9 | 178.2 | 0 | 0 | 0 | 107.9 | T185 I186 M188 V215 K216 M217 L233 V242 A245 R246 V249 | T185-I235 CarbonylContact C-O 3.56Å; T185-I235 WeakPolarHBondContact CA-O 3.47Å; I186-I235 HydrophobicContact CD1-CB 4.29Å; I186-I235 HydrophobicContact CD1-CD1 4.39Å; I186-I235 HydrophobicContact CG1-CB 3.85Å; I186-I235 PolarHBondContact N-O 3.32Å; I186-I235 PolarHBondContact O-N 3.25Å; M188-I235 HydrophobicContact SD-CD1 3.81Å; V215-I235 HydrophobicContact CB-CG2 4.06Å; V215-I235 HydrophobicContact CG2-CG2 3.86Å; K216-I235 CarbonylContact O-C 3.53Å; M217-I235 HydrophobicContact CE-CG2 4.47Å; M217-I235 HydrophobicContact CG-CG1 4.21Å; M217-I235 HydrophobicContact CG-CG2 4.18Å; L233-I235 HydrophobicContact CD2-CD1 4.21Å; L233-I235 HydrophobicContact CD2-CG1 4.24Å; L233-I235 HydrophobicContact CG-CG1 4.19Å; I235-V242 HydrophobicContact CB-CG1 4.41Å; I235-V242 HydrophobicContact CG2-CG1 4.12Å; I235-V242 HydrophobicContact CG2-CG2 4.33Å; I235-A245 HydrophobicContact CG2-CB 4.07Å; I235-R246 HydrophobicContact CD1-CB 4.2Å; I235-V249 HydrophobicContact CD1-CG2 4.49Å |
| 236 | S | 90.3 | Very high | 84.9 | Confident | 12 Ų | 12 | 58.1 Ų | 58.1 | 8% | 0.084 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 133.4 | -176.7 | 50.4 | 0 | 0 | 0 | 0 | 111 | T184 V215 K216 | T184-S236 WeakPolarHBondContact O-CA 3.28Å; V215-S236 CarbonylContact C-O 3.58Å; V215-S236 WeakPolarHBondContact CA-O 3.35Å; K216-S236 WeakPolarHBondContact CB-OG 3.26Å; K216-S236 PolarHBondContact N-O 3.14Å; K216-S236 PolarHBondContact O-N 3.12Å; K216-S236 PolarHBondContact O-OG 3.48Å |
| 237 | G | 89.4 | Confident | 86.5 | Confident | 11 Ų | 11 | 57.1 Ų | 57.1 | 11% | 0.113 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 162.3 | -165.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I183 T184 V242 | I183-G237 CarbonylContact C-O 3.59Å; T184-G237 PolarHBondContact N-O 3.2Å; T184-G237 PolarHBondContact O-N 3.12Å; T184-G237 VanDerWaalsContact O-O 3.08Å; T184-G237 PolarHBondContact OG1-O 2.89Å; T184-G237 VanDerWaalsContact OG1-O 3.11Å; G237-V242 VanDerWaalsContact CA-CG2 3.48Å; G237-V242 VanDerWaalsContact N-CG2 3.28Å; G237-V242 WeakPolarHBondContact O-CG2 3.34Å |
| 238 | E | 90.1 | Very high | 87.8 | Confident | 68 Ų | 68 | 57.3 Ų | 57.3 | 32% | 0.318 | 30% | 0.295 | S | S | . | . | trans | -63.5 | 137.8 | 174.5 | -169.9 | 179.6 | -180 | 0 | 0 | 110.9 | A240 R241 V242 | E238-A240 VanDerWaalsContact C-N 3.29Å; E238-A240 PolarHBondContact O-N 3.15Å; E238-R241 HydrophobicContact CB-CB 4.23Å; E238-R241 HydrophobicContact CB-CG 4.09Å; E238-R241 WeakPolarHBondContact O-CB 3.38Å; E238-R241 PolarHBondContact O-N 2.91Å; E238-R241 WeakPolarHBondContact OE2-CD 2.99Å; E238-R241 IonicContact OE2-CZ 3.92Å; E238-R241 IonicContact OE2-NE 3.38Å; E238-R241 PolarHBondContact OE2-NE 3.38Å; E238-V242 WeakPolarHBondContact O-CB 3.5Å; E238-V242 VanDerWaalsContact O-CG2 3.28Å; E238-V242 WeakPolarHBondContact O-CG2 3.23Å; E238-V242 PolarHBondContact O-N 2.87Å | ||
| 239 | P | 88.4 | Confident | 89 | Confident | 69 Ų | 69 | 52.3 Ų | 52.3 | 45% | 0.448 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -54.8 | -40.1 | -173.3 | 18.6 | -32.9 | 0 | 0 | 0 | 114.2 | S182 T184 R241 E243 | S182-P239 WeakPolarHBondContact O-CD 3.24Å; T184-P239 HydrophobicContact CG2-CB 4Å; T184-P239 HydrophobicContact CG2-CG 4.36Å; T184-P239 VanDerWaalsContact OG1-CA 3.27Å; T184-P239 WeakPolarHBondContact OG1-CA 3.46Å; P239-R241 PolarHBondContact O-N 3.41Å; P239-E243 PolarHBondContact O-N 3.32Å; P239-E243 VanDerWaalsContact O-N 3.14Å |
| 240 | A | 88.8 | Confident | 89.8 | Confident | 73 Ų | 73 | 50.1 Ų | 50.1 | 60% | 0.603 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -65.9 | -37.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E238 K244 | E238-A240 VanDerWaalsContact C-N 3.29Å; E238-A240 PolarHBondContact O-N 3.15Å; A240-K244 PolarHBondContact O-N 3.25Å |
| 241 | R | 91.7 | Very high | 90 | Very high | 84 Ų | 84 | 49.7 Ų | 49.7 | 32% | 0.317 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -76.4 | -39.2 | 179.1 | -64.9 | 175.4 | -178 | -100.5 | 2.1 | 111.8 | Y177 N213 V215 E238 P239 K244 A245 | Y177-R241 PolarHBondContact OH-NH2 2.95Å; N213-R241 WeakPolarHBondContact O-CB 3.37Å; N213-R241 VanDerWaalsContact O-CD 3.26Å; N213-R241 WeakPolarHBondContact O-CD 3.44Å; N213-R241 WeakPolarHBondContact O-CG 3.27Å; N213-R241 PolarHBondContact O-NH1 3.03Å; V215-R241 HydrophobicContact CG1-CB 3.67Å; E238-R241 HydrophobicContact CB-CB 4.23Å; E238-R241 HydrophobicContact CB-CG 4.09Å; E238-R241 WeakPolarHBondContact O-CB 3.38Å; E238-R241 PolarHBondContact O-N 2.91Å; E238-R241 WeakPolarHBondContact OE2-CD 2.99Å; E238-R241 IonicContact OE2-CZ 3.92Å; E238-R241 IonicContact OE2-NE 3.38Å; E238-R241 PolarHBondContact OE2-NE 3.38Å; P239-R241 PolarHBondContact O-N 3.41Å; R241-K244 PolarHBondContact O-N 3.12Å; R241-A245 VanDerWaalsContact O-CB 3.25Å; R241-A245 WeakPolarHBondContact O-CB 3.15Å; R241-A245 PolarHBondContact O-N 3.23Å |
| 242 | V | 92.1 | Very high | 90.1 | Very high | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.012 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.5 | -43.2 | 179.1 | 167.9 | 0 | 0 | 0 | 0 | 111 | I186 V215 I235 G237 E238 A245 R246 | I186-V242 HydrophobicContact CB-CG1 4.22Å; I186-V242 HydrophobicContact CD1-CG1 3.3Å; I186-V242 HydrophobicContact CG1-CG1 3.37Å; I186-V242 HydrophobicContact CG2-CG1 3.9Å; V215-V242 HydrophobicContact CG1-CG2 4.03Å; I235-V242 HydrophobicContact CB-CG1 4.41Å; I235-V242 HydrophobicContact CG2-CG1 4.12Å; I235-V242 HydrophobicContact CG2-CG2 4.33Å; G237-V242 VanDerWaalsContact CA-CG2 3.48Å; G237-V242 VanDerWaalsContact N-CG2 3.28Å; G237-V242 WeakPolarHBondContact O-CG2 3.34Å; E238-V242 WeakPolarHBondContact O-CB 3.5Å; E238-V242 VanDerWaalsContact O-CG2 3.28Å; E238-V242 WeakPolarHBondContact O-CG2 3.23Å; E238-V242 PolarHBondContact O-N 2.87Å; V242-A245 PolarHBondContact O-N 2.92Å; V242-R246 WeakPolarHBondContact O-CB 3.12Å; V242-R246 PolarHBondContact O-N 3.35Å |
| 243 | E | 91.5 | Very high | 90 | Very high | 88 Ų | 88 | 50.1 Ų | 50.1 | 41% | 0.411 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -68.5 | -39.2 | 176.6 | -168.5 | 59.5 | -155.4 | 0 | 0 | 111.9 | P239 A245 R246 Q247 | P239-E243 PolarHBondContact O-N 3.32Å; P239-E243 VanDerWaalsContact O-N 3.14Å; E243-A245 PolarHBondContact O-N 2.93Å; E243-R246 WeakPolarHBondContact O-CB 3.15Å; E243-R246 PolarHBondContact O-N 3.25Å; E243-R246 IonicContact OE1-CZ 3.75Å; E243-R246 IonicContact OE1-NE 3.9Å; E243-R246 IonicContact OE1-NH1 3.35Å; E243-R246 PolarHBondContact OE1-NH1 3.4Å; E243-R246 WeakPolarHBondContact OE2-CD 3.39Å; E243-R246 IonicContact OE2-NH1 3.3Å; E243-R246 PolarHBondContact OE2-NH1 3.48Å; E243-Q247 PolarHBondContact O-N 3.08Å |
| 244 | K | 92 | Very high | 89.6 | Confident | 126 Ų | 126 | 54.7 Ų | 54.7 | 55% | 0.548 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.6 | -46.2 | 174 | -171.4 | -175.8 | 177.4 | -167.3 | 0 | 111.7 | A240 R241 Q247 A248 | A240-K244 PolarHBondContact O-N 3.25Å; R241-K244 PolarHBondContact O-N 3.12Å; K244-Q247 PolarHBondContact O-N 3.3Å; K244-A248 PolarHBondContact O-N 2.98Å |
| 245 | A | 92 | Very high | 88.5 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.1 | -44.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | N213 V215 M217 I235 R241 V242 E243 Q247 A248 V249 | N213-A245 HydrophobicContact CB-CB 3.93Å; V215-A245 HydrophobicContact CG1-CB 4.2Å; V215-A245 HydrophobicContact CG2-CB 3.63Å; M217-A245 HydrophobicContact CE-CB 3.49Å; M217-A245 VanDerWaalsContact CE-CB 3.49Å; I235-A245 HydrophobicContact CG2-CB 4.07Å; R241-A245 VanDerWaalsContact O-CB 3.25Å; R241-A245 WeakPolarHBondContact O-CB 3.15Å; R241-A245 PolarHBondContact O-N 3.23Å; V242-A245 PolarHBondContact O-N 2.92Å; E243-A245 PolarHBondContact O-N 2.93Å; A245-Q247 VanDerWaalsContact C-N 3.32Å; A245-Q247 PolarHBondContact O-N 3.4Å; A245-A248 PolarHBondContact O-N 3.19Å; A245-V249 WeakPolarHBondContact O-CG2 3.44Å; A245-V249 PolarHBondContact O-N 2.64Å |
| 246 | R | 92.3 | Very high | 86.8 | Confident | 102 Ų | 102 | 60.3 Ų | 60.3 | 39% | 0.385 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -57.6 | -45.5 | 173.9 | 178.9 | -163.6 | 159.8 | 178 | -1.9 | 111.4 | I186 M188 I235 V242 E243 V249 L250 | I186-R246 HydrophobicContact CD1-CB 3.73Å; I186-R246 HydrophobicContact CD1-CG 4.01Å; M188-R246 HydrophobicContact CE-CG 4.45Å; M188-R246 HydrophobicContact SD-CG 3.98Å; I235-R246 HydrophobicContact CD1-CB 4.2Å; V242-R246 WeakPolarHBondContact O-CB 3.12Å; V242-R246 PolarHBondContact O-N 3.35Å; E243-R246 WeakPolarHBondContact O-CB 3.15Å; E243-R246 PolarHBondContact O-N 3.25Å; E243-R246 IonicContact OE1-CZ 3.75Å; E243-R246 IonicContact OE1-NE 3.9Å; E243-R246 IonicContact OE1-NH1 3.35Å; E243-R246 PolarHBondContact OE1-NH1 3.4Å; E243-R246 WeakPolarHBondContact OE2-CD 3.39Å; E243-R246 IonicContact OE2-NH1 3.3Å; E243-R246 PolarHBondContact OE2-NH1 3.48Å; R246-V249 PolarHBondContact O-N 2.8Å; R246-L250 WeakPolarHBondContact O-CB 3.18Å; R246-L250 PolarHBondContact O-N 3.35Å |
| 247 | Q | 92 | Very high | 85.1 | Confident | 98 Ų | 98 | 64.5 Ų | 64.5 | 46% | 0.458 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -65.1 | -39.9 | 179.6 | -167.9 | 63.4 | 15.2 | 0 | 0 | 111.7 | E243 K244 A245 V249 L250 V251 | E243-Q247 PolarHBondContact O-N 3.08Å; K244-Q247 PolarHBondContact O-N 3.3Å; A245-Q247 VanDerWaalsContact C-N 3.32Å; A245-Q247 PolarHBondContact O-N 3.4Å; Q247-V249 VanDerWaalsContact C-N 3.34Å; Q247-V249 PolarHBondContact O-N 3.25Å; Q247-L250 PolarHBondContact O-N 3.21Å; Q247-V251 WeakPolarHBondContact O-CG2 3.29Å; Q247-V251 PolarHBondContact O-N 2.94Å |
| 248 | A | 90 | Very high | 83 | Confident | 32 Ų | 32 | 75.1 Ų | 75.1 | 26% | 0.264 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -60.7 | -43.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | L209 K244 A245 V251 L252 | L209-A248 HydrophobicContact CD2-CB 3.91Å; K244-A248 PolarHBondContact O-N 2.98Å; A245-A248 PolarHBondContact O-N 3.19Å; A248-V251 PolarHBondContact O-N 2.83Å; A248-L252 WeakPolarHBondContact O-CG 3.46Å; A248-L252 PolarHBondContact O-N 2.85Å; A248-L252 VanDerWaalsContact O-N 3.1Å |
| 249 | V | 90.3 | Very high | 80.5 | Confident | 0 Ų | 0 | 78.3 Ų | 78.3 | 0% | 0 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -64.5 | -42.2 | 174.6 | 174.6 | 0 | 0 | 0 | 0 | 111.3 | M188 V190 V198 L209 M217 L233 I235 A245 R246 Q247 V251 L252 I253 | M188-V249 HydrophobicContact CE-CB 4.16Å; M188-V249 HydrophobicContact CE-CG1 3.67Å; M188-V249 HydrophobicContact SD-CB 3.97Å; M188-V249 HydrophobicContact SD-CG1 3.7Å; V190-V249 HydrophobicContact CG2-CG1 4.48Å; V198-V249 HydrophobicContact CG1-CG1 3.97Å; V198-V249 HydrophobicContact CG1-CG2 4.26Å; V198-V249 HydrophobicContact CG2-CG1 4.04Å; L209-V249 HydrophobicContact CD1-CG2 4.23Å; M217-V249 HydrophobicContact CE-CG2 4.41Å; M217-V249 HydrophobicContact SD-CG2 4.42Å; L233-V249 HydrophobicContact CD2-CB 4.43Å; L233-V249 HydrophobicContact CD2-CG1 3.74Å; L233-V249 HydrophobicContact CD2-CG2 4.01Å; I235-V249 HydrophobicContact CD1-CG2 4.49Å; A245-V249 WeakPolarHBondContact O-CG2 3.44Å; A245-V249 PolarHBondContact O-N 2.64Å; R246-V249 PolarHBondContact O-N 2.8Å; Q247-V249 VanDerWaalsContact C-N 3.34Å; Q247-V249 PolarHBondContact O-N 3.25Å; V249-V251 VanDerWaalsContact C-N 3.31Å; V249-V251 PolarHBondContact O-N 3.3Å; V249-L252 WeakPolarHBondContact O-CB 3.35Å; V249-L252 PolarHBondContact O-N 3.19Å; V249-L252 VanDerWaalsContact O-N 3.12Å; V249-I253 HydrophobicContact CG1-CD1 3.66Å; V249-I253 HydrophobicContact CG1-CG1 4.29Å; V249-I253 VanDerWaalsContact O-CG1 3.27Å; V249-I253 WeakPolarHBondContact O-CG1 3.4Å; V249-I253 PolarHBondContact O-N 3.36Å |
| 250 | L | 88.7 | Confident | 77.9 | Confident | 59 Ų | 59 | 78.5 Ų | 78.5 | 31% | 0.309 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.3 | -39.8 | 178.6 | -170.1 | 75 | 0 | 0 | 0 | 111.9 | R246 Q247 I253 N254 | R246-L250 WeakPolarHBondContact O-CB 3.18Å; R246-L250 PolarHBondContact O-N 3.35Å; Q247-L250 PolarHBondContact O-N 3.21Å; L250-I253 PolarHBondContact O-N 2.99Å; L250-N254 WeakPolarHBondContact O-CB 3.43Å; L250-N254 PolarHBondContact O-N 3.22Å; L250-N254 PolarHBondContact O-ND2 2.95Å |
| 251 | V | 86.4 | Confident | 75.3 | Confident | 75 Ų | 75 | 78.8 Ų | 78.8 | 46% | 0.455 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.9 | -43.9 | 173.7 | 172.8 | 0 | 0 | 0 | 0 | 110.4 | Q247 A248 V249 I253 N254 S255 | Q247-V251 WeakPolarHBondContact O-CG2 3.29Å; Q247-V251 PolarHBondContact O-N 2.94Å; A248-V251 PolarHBondContact O-N 2.83Å; V249-V251 VanDerWaalsContact C-N 3.31Å; V249-V251 PolarHBondContact O-N 3.3Å; V251-I253 VanDerWaalsContact C-N 3.27Å; V251-I253 PolarHBondContact O-N 3.03Å; V251-N254 PolarHBondContact O-N 3.35Å; V251-S255 WeakPolarHBondContact O-CB 3.18Å; V251-S255 PolarHBondContact O-N 3.43Å; V251-S255 PolarHBondContact O-OG 3.38Å |
| 252 | L | 85.4 | Confident | 73 | Confident | 45 Ų | 45 | 80.5 Ų | 80.5 | 24% | 0.236 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -62.6 | -33.4 | 176.9 | -73.9 | 167.5 | 0 | 0 | 0 | 113.5 | T205 L209 A248 V249 | T205-L252 HydrophobicContact CG2-CD1 4.31Å; L209-L252 HydrophobicContact CD1-CD1 3.59Å; L209-L252 HydrophobicContact CD2-CD1 4.2Å; L209-L252 HydrophobicContact CG-CD1 4.39Å; A248-L252 WeakPolarHBondContact O-CG 3.46Å; A248-L252 PolarHBondContact O-N 2.85Å; A248-L252 VanDerWaalsContact O-N 3.1Å; V249-L252 WeakPolarHBondContact O-CB 3.35Å; V249-L252 PolarHBondContact O-N 3.19Å; V249-L252 VanDerWaalsContact O-N 3.12Å |
| 253 | I | 85.2 | Confident | 70.5 | Confident | 11 Ų | 11 | 86.6 Ų | 86.6 | 6% | 0.056 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -74 | -42.9 | 177.4 | -66.6 | 166.9 | 0 | 0 | 0 | 110.9 | M188 V190 P191 K194 V198 V249 L250 V251 | M188-I253 HydrophobicContact CE-CD1 3.95Å; V190-I253 HydrophobicContact CB-CD1 4.13Å; V190-I253 HydrophobicContact CG1-CD1 3.74Å; V190-I253 HydrophobicContact CG1-CG1 4.06Å; V190-I253 HydrophobicContact CG2-CD1 3.74Å; P191-I253 HydrophobicContact CG-CG2 4.41Å; K194-I253 HydrophobicContact CD-CB 4.44Å; K194-I253 HydrophobicContact CD-CG2 3.64Å; K194-I253 VanDerWaalsContact CD-O 3.27Å; K194-I253 WeakPolarHBondContact CD-O 3.45Å; K194-I253 VanDerWaalsContact CE-O 3.28Å; K194-I253 WeakPolarHBondContact CE-O 3.45Å; K194-I253 PolarHBondContact NZ-O 3.29Å; V198-I253 HydrophobicContact CG2-CD1 4.36Å; V198-I253 HydrophobicContact CG2-CG1 3.86Å; V249-I253 HydrophobicContact CG1-CD1 3.66Å; V249-I253 HydrophobicContact CG1-CG1 4.29Å; V249-I253 VanDerWaalsContact O-CG1 3.27Å; V249-I253 WeakPolarHBondContact O-CG1 3.4Å; V249-I253 PolarHBondContact O-N 3.36Å; L250-I253 PolarHBondContact O-N 2.99Å; V251-I253 VanDerWaalsContact C-N 3.27Å; V251-I253 PolarHBondContact O-N 3.03Å |
| 254 | N | 82.2 | Confident | 68.1 | Low | 96 Ų | 96 | 88.3 Ų | 88.3 | 51% | 0.513 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -79.6 | -36 | -177.7 | -75.3 | -59.5 | 0 | 0 | 0 | 113.2 | L250 V251 R256 | L250-N254 WeakPolarHBondContact O-CB 3.43Å; L250-N254 PolarHBondContact O-N 3.22Å; L250-N254 PolarHBondContact O-ND2 2.95Å; V251-N254 PolarHBondContact O-N 3.35Å; N254-R256 PolarHBondContact O-N 2.94Å |
| 255 | S | 68.2 | Low | 65.5 | Low | 94 Ų | 94 | 86.1 Ų | 86.1 | 66% | 0.657 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | 3.8 | -174 | -61.9 | 0 | 0 | 0 | 0 | 114.2 | V251 | V251-S255 WeakPolarHBondContact O-CB 3.18Å; V251-S255 PolarHBondContact O-N 3.43Å; V251-S255 PolarHBondContact O-OG 3.38Å |
| 256 | R | 56.9 | Low | 62.8 | Low | 122 Ų | 122 | 88.2 Ų | 88.2 | 46% | 0.46 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.2 | 18.6 | -171.1 | -119.3 | 158.1 | 172 | -175 | 0.2 | 115.9 | L197 N254 R258 | L197-R256 HydrophobicContact CD1-CB 3.69Å; L197-R256 HydrophobicContact CD1-CG 4.1Å; N254-R256 PolarHBondContact O-N 2.94Å; R256-R258 PolarHBondContact O-N 3.21Å |
| 257 | D | 53.2 | Low | 60.3 | Low | 99 Ų | 99 | 90.8 Ų | 90.8 | 53% | 0.529 | 51% | 0.51 | S | S | . | . | trans | -63.5 | 19.5 | 171.8 | -86.2 | -63.4 | 0 | 0 | 0 | 115.7 | K194 P259 | K194-D257 VanDerWaalsContact CE-CG 3.49Å; K194-D257 WeakPolarHBondContact CE-OD1 3.48Å; K194-D257 IonicContact NZ-OD1 2.76Å; K194-D257 PolarHBondContact NZ-OD1 3.15Å; K194-D257 IonicContact NZ-OD2 2.58Å; K194-D257 PolarHBondContact NZ-OD2 2.93Å; D257-P259 WeakPolarHBondContact O-CD 2.8Å | ||
| 258 | R | 45.6 | Very low | 57.7 | Low | 234 Ų | 234 | 94.6 Ų | 94.6 | 88% | 0.883 | 53% | 0.534 | S | S | * | . | trans | -83.8 | 109.4 | 169.1 | -75.5 | -172 | -168.8 | -117.4 | 2.8 | 109.2 | R256 G260 | R256-R258 PolarHBondContact O-N 3.21Å; R258-G260 PolarHBondContact O-N 2.94Å | ||
| 259 | P | 37.2 | Very low | 55.7 | Low | 135 Ų | 135 | 95.1 Ų | 95.1 | 88% | 0.877 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -72.8 | 111.4 | -179.9 | 30.2 | -31.9 | 0 | 0 | 0 | 109.3 | D257 | D257-P259 WeakPolarHBondContact O-CD 2.8Š|
| 260 | G | 33.4 | Very low | 54.2 | Low | 73 Ų | 73 | 97.4 Ų | 97.4 | 75% | 0.753 | 55% | 0.553 | S | S | * | * | trans | 162.9 | 22.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | R258 S262 | R258-G260 PolarHBondContact O-N 2.94Å; G260-S262 PolarHBondContact O-N 2.95Å | ||
| 261 | G | 36 | Very low | 53.4 | Low | 80 Ų | 80 | 99.7 Ų | 99.7 | 83% | 0.825 | 56% | 0.562 | S | S | * | * | trans | -75.1 | 80.4 | -163.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | M263 | G261-M263 PolarHBondContact O-N 3Š| ||
| 262 | S | 41.7 | Very low | 53.1 | Low | 120 Ų | 120 | 100.1 Ų | 100.1 | 84% | 0.839 | 57% | 0.565 | S | S | * | * | trans | -72.5 | 95.5 | 152.5 | -169.8 | 0 | 0 | 0 | 0 | 109.6 | G260 H264 | G260-S262 PolarHBondContact O-N 2.95Å; S262-H264 PolarHBondContact O-N 3.18Å | ||
| 263 | M | 40.3 | Very low | 53.1 | Low | 130 Ų | 130 | 100 Ų | 100 | 64% | 0.64 | 57% | 0.568 | S | S | * | * | trans | -5.4 | 61.6 | 162.1 | -84.7 | -78.5 | -151.5 | 0 | 0 | 120.5 | K201 G261 | K201-M263 HydrophobicContact CD-SD 4.02Å; K201-M263 WeakPolarHBondContact CE-SD 3.41Å; K201-M263 HydrophobicContact CG-CE 3.68Å; K201-M263 HydrophobicContact CG-SD 3.58Å; K201-M263 VanDerWaalsContact CG-SD 3.58Å; K201-M263 PolarHBondContact NZ-O 3.27Å; G261-M263 PolarHBondContact O-N 3Å | ||
| 264 | H | 40.6 | Very low | 53.1 | Low | 123 Ų | 123 | 105.8 Ų | 105.8 | 57% | 0.569 | 60% | 0.595 | S | S | * | * | trans | -86.6 | 122.9 | 157.1 | -161.5 | 73.4 | 0 | 0 | 0 | 110.4 | S262 | S262-H264 PolarHBondContact O-N 3.18Š| ||
| 265 | Y | 37.8 | Very low | 53.4 | Low | 80 Ų | 80 | 103.2 Ų | 103.2 | 31% | 0.314 | 58% | 0.578 | S | S | . | * | trans | -92.8 | 128.5 | 170.7 | -113.1 | -131.6 | 0 | 0 | 0 | 107.8 | G200 K201 | G200-Y265 WeakPolarHBondContact CA-OH 3.09Å; K201-Y265 HydrophobicContact CB-CD2 4.31Å; K201-Y265 HydrophobicContact CB-CE1 4.2Å; K201-Y265 HydrophobicContact CB-CE2 3.52Å; K201-Y265 VanDerWaalsContact CB-CZ 3.46Å; K201-Y265 HydrophobicContact CD-CD1 4.12Å; K201-Y265 HydrophobicContact CD-CD2 3.13Å; K201-Y265 HydrophobicContact CD-CE1 4.25Å; K201-Y265 HydrophobicContact CD-CE2 3.28Å; K201-Y265 HydrophobicContact CD-CG 3.58Å; K201-Y265 HydrophobicContact CG-CD2 3.59Å; K201-Y265 HydrophobicContact CG-CE1 4.49Å; K201-Y265 HydrophobicContact CG-CE2 3.14Å; K201-Y265 HydrophobicContact CG-CG 4.41Å; K201-Y265 VanDerWaalsContact N-CZ 3.34Å; K201-Y265 PolarHBondContact N-OH 2.92Å | ||
| 266 | G | 35.6 | Very low | 54.3 | Low | 45 Ų | 45 | 101.4 Ų | 101.4 | 46% | 0.464 | 57% | 0.569 | S | S | . | * | S | Bend | trans | 116 | 120.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 267 | Y | 38.8 | Very low | 55.7 | Low | 155 Ų | 155 | 95.6 Ų | 95.6 | 61% | 0.608 | 55% | 0.547 | S | S | * | . | trans | 52 | 90.7 | 156.5 | -82.9 | -99.2 | 0 | 0 | 0 | 119.1 | G269 Q270 | Y267-G269 VanDerWaalsContact C-N 3.35Å; Y267-G269 PolarHBondContact O-N 3.33Å; Y267-Q270 VanDerWaalsContact CB-CD 3.44Å; Y267-Q270 VanDerWaalsContact CB-OE1 3.24Å; Y267-Q270 HydrophobicContact CD1-CG 3.52Å; Y267-Q270 HydrophobicContact CD2-CG 4.48Å; Y267-Q270 HydrophobicContact CE1-CG 4.41Å; Y267-Q270 HydrophobicContact CG-CB 4.42Å; Y267-Q270 HydrophobicContact CG-CG 3.55Å; Y267-Q270 VanDerWaalsContact CG-OE1 3.26Å; Y267-Q270 PolarHBondContact O-N 3.39Å | ||
| 268 | D | 38 | Very low | 57.2 | Low | 178 Ų | 178 | 93.1 Ų | 93.1 | 95% | 0.952 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | 92.9 | 159.3 | -158.9 | -106.9 | 0 | 0 | 0 | 108.1 | ||
| 269 | G | 48.3 | Very low | 59 | Low | 44 Ų | 44 | 83.3 Ų | 83.3 | 45% | 0.454 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 142.8 | -15.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y267 E271 N324 | Y267-G269 VanDerWaalsContact C-N 3.35Å; Y267-G269 PolarHBondContact O-N 3.33Å; G269-E271 PolarHBondContact O-N 3.37Å; G269-N324 PolarHBondContact O-OD1 2.95Å |
| 270 | Q | 59 | Low | 61.3 | Low | 47 Ų | 47 | 85.3 Ų | 85.3 | 22% | 0.22 | 50% | 0.503 | C | S | . | . | trans | -85.9 | 102.3 | 178.3 | -75.9 | -170.8 | -33.8 | 0 | 0 | 111.5 | Y267 G323 | Y267-Q270 VanDerWaalsContact CB-CD 3.44Å; Y267-Q270 VanDerWaalsContact CB-OE1 3.24Å; Y267-Q270 HydrophobicContact CD1-CG 3.52Å; Y267-Q270 HydrophobicContact CD2-CG 4.48Å; Y267-Q270 HydrophobicContact CE1-CG 4.41Å; Y267-Q270 HydrophobicContact CG-CB 4.42Å; Y267-Q270 HydrophobicContact CG-CG 3.55Å; Y267-Q270 VanDerWaalsContact CG-OE1 3.26Å; Y267-Q270 PolarHBondContact O-N 3.39Å; Q270-G323 CarbonylContact C-O 3.59Å; Q270-G323 WeakPolarHBondContact CA-O 3.19Å; Q270-G323 VanDerWaalsContact CG-C 3.44Å | ||
| 271 | E | 71.7 | Confident | 63.8 | Low | 107 Ų | 107 | 86.4 Ų | 86.4 | 50% | 0.5 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.1 | 148.5 | 163.8 | -74.8 | 175.1 | 93 | 0 | 0 | 108.9 | G269 R322 G323 R325 I328 | G269-E271 PolarHBondContact O-N 3.37Å; E271-R322 WeakPolarHBondContact O-CA 3.16Å; E271-G323 PolarHBondContact N-O 3.42Å; E271-G323 PolarHBondContact O-N 2.95Å; E271-R325 WeakPolarHBondContact OE2-CB 3.41Å; E271-I328 VanDerWaalsContact C-CD1 3.48Å; E271-I328 HydrophobicContact CB-CD1 3.36Å; E271-I328 WeakPolarHBondContact O-CD1 3.25Å |
| 272 | T | 79.8 | Confident | 66.2 | Low | 85 Ų | 85 | 82.6 Ų | 82.6 | 52% | 0.521 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 120.7 | 169.3 | -57.2 | 0 | 0 | 0 | 0 | 107.2 | V321 R322 | T272-V321 CarbonylContact C-O 3.46Å; T272-V321 WeakPolarHBondContact CA-O 3.43Å; T272-R322 HydrophobicContact CG2-CG 3.8Å; T272-R322 WeakPolarHBondContact OG1-CG 3.14Å |
| 273 | S | 84.8 | Confident | 68.3 | Low | 43 Ų | 43 | 79.1 Ų | 79.1 | 30% | 0.301 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 140.9 | 177.3 | -168.2 | 0 | 0 | 0 | 0 | 110 | V321 | S273-V321 PolarHBondContact N-O 2.97Å; S273-V321 PolarHBondContact O-N 3.47Å |
| 274 | Q | 86.7 | Confident | 70.5 | Confident | 132 Ų | 132 | 77.7 Ų | 77.7 | 62% | 0.617 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 127 | 178.1 | -59.8 | -170.2 | 42.7 | 0 | 0 | 109.2 | I318 F319 N320 | Q274-I318 HydrophobicContact CB-CG2 3.93Å; Q274-I318 HydrophobicContact CG-CG2 4.36Å; Q274-F319 WeakPolarHBondContact CA-O 3.39Å; Q274-N320 WeakPolarHBondContact CG-OD1 3.45Å |
| 275 | Y | 87.4 | Confident | 72.9 | Confident | 41 Ų | 41 | 71.9 Ų | 71.9 | 16% | 0.161 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 115.6 | 177.2 | -169.4 | -105.3 | 0 | 0 | 0 | 110.5 | V277 F319 I332 I335 S336 | Y275-V277 HydrophobicContact CD1-CG2 3.5Å; Y275-V277 VanDerWaalsContact CD1-CG2 3.5Å; Y275-V277 HydrophobicContact CE1-CG2 3.54Å; Y275-F319 PolarHBondContact N-O 3.22Å; Y275-F319 PolarHBondContact O-N 3.4Å; Y275-I332 HydrophobicContact CD2-CG1 4.36Å; Y275-I332 HydrophobicContact CD2-CG2 3.65Å; Y275-I332 HydrophobicContact CE2-CG2 3.66Å; Y275-I332 HydrophobicContact CG-CG1 4.45Å; Y275-I332 HydrophobicContact CG-CG2 4.29Å; Y275-I335 HydrophobicContact CD1-CB 4.25Å; Y275-I335 HydrophobicContact CD1-CG2 3.53Å; Y275-I335 HydrophobicContact CE1-CB 4.31Å; Y275-I335 HydrophobicContact CE1-CG2 3.61Å; Y275-S336 WeakPolarHBondContact OH-CB 3.18Å |
| 276 | A | 87.6 | Confident | 75.2 | Confident | 56 Ų | 56 | 69.7 Ų | 69.7 | 46% | 0.463 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 124.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 277 | V | 85.9 | Confident | 77.7 | Confident | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 137.8 | 176 | -178.2 | 0 | 0 | 0 | 0 | 108.2 | Y275 A279 K281 A282 V285 I316 K317 F319 I335 A339 I341 | Y275-V277 HydrophobicContact CD1-CG2 3.5Å; Y275-V277 VanDerWaalsContact CD1-CG2 3.5Å; Y275-V277 HydrophobicContact CE1-CG2 3.54Å; V277-A279 PolarHBondContact O-N 2.98Å; V277-K281 HydrophobicContact CG1-CB 4.03Å; V277-A282 HydrophobicContact CG1-CB 4.28Å; V277-V285 HydrophobicContact CG1-CG2 4.29Å; V277-I316 CarbonylContact O-C 3.6Å; V277-K317 PolarHBondContact N-O 2.87Å; V277-K317 PolarHBondContact O-N 3.41Å; V277-F319 HydrophobicContact CB-CD2 4.06Å; V277-F319 HydrophobicContact CB-CE2 3.71Å; V277-F319 HydrophobicContact CG1-CE2 4.45Å; V277-F319 HydrophobicContact CG2-CD2 3.6Å; V277-F319 HydrophobicContact CG2-CE2 3.63Å; V277-I335 HydrophobicContact CG2-CG2 3.64Å; V277-A339 HydrophobicContact CG1-CB 3.72Å; V277-I341 HydrophobicContact CG1-CD1 4.21Å |
| 278 | P | 85.9 | Confident | 80 | Confident | 48 Ų | 48 | 71 Ų | 71 | 31% | 0.312 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.1 | 136.2 | 172.5 | -25.4 | 35.3 | 0 | 0 | 0 | 111.3 | E280 K281 A282 S315 I341 | P278-E280 PolarHBondContact O-N 3.38Å; P278-E280 VanDerWaalsContact O-N 3.12Å; P278-K281 HydrophobicContact CB-CG 4.41Å; P278-K281 CarbonylContact O-C 3.58Å; P278-K281 PolarHBondContact O-N 3.33Å; P278-A282 PolarHBondContact O-N 3.03Å; P278-S315 CarbonylContact C-O 3.59Å; P278-S315 WeakPolarHBondContact CA-O 3.39Å; P278-I341 HydrophobicContact CG-CD1 4.49Å |
| 279 | A | 83.5 | Confident | 82.2 | Confident | 28 Ų | 28 | 66.2 Ų | 66.2 | 23% | 0.231 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -56.6 | -33.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V277 K281 P314 S315 K317 | V277-A279 PolarHBondContact O-N 2.98Å; A279-K281 VanDerWaalsContact C-N 3.3Å; A279-K281 PolarHBondContact O-N 3.35Å; A279-P314 WeakPolarHBondContact CB-O 3.27Å; A279-S315 PolarHBondContact N-O 3.15Å; A279-K317 HydrophobicContact CB-CG 4.14Å |
| 280 | E | 85.4 | Confident | 84.1 | Confident | 177 Ų | 177 | 64.7 Ų | 64.7 | 83% | 0.827 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -63.7 | -30.9 | 175.3 | -61.4 | 178 | 85.9 | 0 | 0 | 113.3 | P278 | P278-E280 PolarHBondContact O-N 3.38Å; P278-E280 VanDerWaalsContact O-N 3.12Å |
| 281 | K | 84.9 | Confident | 85.6 | Confident | 96 Ų | 96 | 69.7 Ų | 69.7 | 42% | 0.417 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -98.6 | -20.8 | -179.2 | -59.4 | -60.3 | -173 | -179.1 | 0 | 112.9 | V277 P278 A279 G283 L284 V285 A339 | V277-K281 HydrophobicContact CG1-CB 4.03Å; P278-K281 HydrophobicContact CB-CG 4.41Å; P278-K281 CarbonylContact O-C 3.58Å; P278-K281 PolarHBondContact O-N 3.33Å; A279-K281 VanDerWaalsContact C-N 3.3Å; A279-K281 PolarHBondContact O-N 3.35Å; K281-G283 PolarHBondContact O-N 2.74Å; K281-L284 HydrophobicContact CD-CD1 4.08Å; K281-L284 WeakPolarHBondContact O-CB 3.48Å; K281-L284 PolarHBondContact O-N 2.93Å; K281-V285 PolarHBondContact O-N 2.83Å; K281-A339 HydrophobicContact CB-CB 4.09Å; K281-A339 WeakPolarHBondContact CD-O 3.45Å; K281-A339 WeakPolarHBondContact CG-O 3.42Å |
| 282 | A | 86.2 | Confident | 86.5 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -58.6 | -32.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V277 P278 L284 V285 I286 K317 F319 | V277-A282 HydrophobicContact CG1-CB 4.28Å; P278-A282 PolarHBondContact O-N 3.03Å; A282-L284 VanDerWaalsContact C-N 3.29Å; A282-L284 PolarHBondContact O-N 3.3Å; A282-V285 PolarHBondContact O-N 2.71Å; A282-I286 WeakPolarHBondContact O-CD1 3.47Å; A282-I286 VanDerWaalsContact O-CG1 3.25Å; A282-I286 WeakPolarHBondContact O-CG1 3.2Å; A282-I286 PolarHBondContact O-N 3.35Å; A282-I286 VanDerWaalsContact O-N 3.08Å; A282-K317 HydrophobicContact CB-CB 3.96Å; A282-K317 HydrophobicContact CB-CD 3.7Å; A282-K317 HydrophobicContact CB-CG 4.13Å; A282-F319 HydrophobicContact CB-CE2 3.94Å; A282-F319 HydrophobicContact CB-CZ 3.92Å |
| 283 | G | 86.5 | Confident | 87 | Confident | 46 Ų | 46 | 62.4 Ų | 62.4 | 47% | 0.474 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.2 | -34.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | K281 G287 | K281-G283 PolarHBondContact O-N 2.74Å; G283-G287 PolarHBondContact O-N 3.12Å |
| 284 | L | 87.3 | Confident | 87.3 | Confident | 101 Ų | 101 | 67.2 Ų | 67.2 | 53% | 0.529 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -71.3 | -37.3 | 176.7 | -64.3 | 170.9 | 0 | 0 | 0 | 111.8 | K281 A282 | K281-L284 HydrophobicContact CD-CD1 4.08Å; K281-L284 WeakPolarHBondContact O-CB 3.48Å; K281-L284 PolarHBondContact O-N 2.93Å; A282-L284 VanDerWaalsContact C-N 3.29Å; A282-L284 PolarHBondContact O-N 3.3Å |
| 285 | V | 89.2 | Confident | 87.5 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.2 | -44 | 175.9 | 178.6 | 0 | 0 | 0 | 0 | 110.9 | V277 K281 A282 S292 I293 I296 F319 I335 R338 A339 | V277-V285 HydrophobicContact CG1-CG2 4.29Å; K281-V285 PolarHBondContact O-N 2.83Å; A282-V285 PolarHBondContact O-N 2.71Å; V285-S292 CarbonylContact O-C 3.54Å; V285-S292 WeakPolarHBondContact O-CB 3.37Å; V285-S292 PolarHBondContact O-OG 2.9Å; V285-I293 PolarHBondContact O-N 3.23Å; V285-I296 HydrophobicContact CG1-CD1 3.88Å; V285-F319 HydrophobicContact CB-CZ 4.27Å; V285-F319 HydrophobicContact CG1-CE1 4.1Å; V285-F319 HydrophobicContact CG1-CZ 4.15Å; V285-I335 HydrophobicContact CG1-CB 4.25Å; V285-I335 HydrophobicContact CG1-CG1 3.99Å; V285-I335 HydrophobicContact CG1-CG2 3.77Å; V285-I335 HydrophobicContact CG2-CG2 3.99Å; V285-R338 HydrophobicContact CG2-CB 4.29Å; V285-A339 HydrophobicContact CG2-CB 3.78Å |
| 286 | I | 87.4 | Confident | 87.7 | Confident | 34 Ų | 34 | 63 Ų | 63 | 17% | 0.174 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -70.1 | -42.1 | -179.6 | -61.4 | 161.8 | 0 | 0 | 0 | 110.7 | A282 G290 S292 I293 I306 F319 | A282-I286 WeakPolarHBondContact O-CD1 3.47Å; A282-I286 VanDerWaalsContact O-CG1 3.25Å; A282-I286 WeakPolarHBondContact O-CG1 3.2Å; A282-I286 PolarHBondContact O-N 3.35Å; A282-I286 VanDerWaalsContact O-N 3.08Å; I286-G290 CarbonylContact O-C 3.58Å; I286-G290 VanDerWaalsContact O-C 3.25Å; I286-G290 WeakPolarHBondContact O-CA 3.42Å; I286-S292 WeakPolarHBondContact O-CB 3.5Å; I286-S292 PolarHBondContact O-N 2.84Å; I286-S292 VanDerWaalsContact O-N 3.15Å; I286-I293 HydrophobicContact CG2-CG2 4.12Å; I286-I293 PolarHBondContact O-N 3.04Å; I286-I293 VanDerWaalsContact O-N 3.11Å; I286-I306 HydrophobicContact CD1-CD1 3.41Å; I286-I306 VanDerWaalsContact CD1-CD1 3.41Å; I286-I306 HydrophobicContact CD1-CG1 4.34Å; I286-I306 HydrophobicContact CG1-CD1 3.88Å; I286-F319 HydrophobicContact CD1-CZ 4.42Å; I286-F319 HydrophobicContact CG1-CE1 4.1Å; I286-F319 HydrophobicContact CG1-CZ 4.22Å |
| 287 | G | 86.9 | Confident | 87.8 | Confident | 23 Ų | 23 | 62 Ų | 62 | 24% | 0.237 | 34% | 0.343 | C | S | . | . | trans | 74.7 | 168.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113 | G283 G289 G290 | G283-G287 PolarHBondContact O-N 3.12Å; G287-G289 PolarHBondContact O-N 3.33Å; G287-G290 PolarHBondContact O-N 2.88Å | ||
| 288 | K | 87.2 | Confident | 88.1 | Confident | 205 Ų | 205 | 70.9 Ų | 70.9 | 89% | 0.891 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -62.1 | 121.3 | 176.5 | -60.6 | 177.5 | -176.7 | 179.8 | 0 | 108.7 | G290 E291 | K288-G290 PolarHBondContact O-N 2.96Å; K288-E291 PolarHBondContact O-N 3.46Å |
| 289 | G | 85.3 | Confident | 88.4 | Confident | 77 Ų | 77 | 72 Ų | 72 | 79% | 0.794 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | 69.5 | 13.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | G287 E291 | G287-G289 PolarHBondContact O-N 3.33Å; G289-E291 VanDerWaalsContact C-N 3.3Å; G289-E291 PolarHBondContact O-N 3.49Å |
| 290 | G | 87.7 | Confident | 88.7 | Confident | 12 Ų | 12 | 71.1 Ų | 71.1 | 12% | 0.124 | 38% | 0.375 | C | S | . | . | G | 310 helix | trans | 76.7 | 13.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | I286 G287 K288 S292 I293 K294 | I286-G290 CarbonylContact O-C 3.58Å; I286-G290 VanDerWaalsContact O-C 3.25Å; I286-G290 WeakPolarHBondContact O-CA 3.42Å; G287-G290 PolarHBondContact O-N 2.88Å; K288-G290 PolarHBondContact O-N 2.96Å; G290-S292 VanDerWaalsContact C-N 3.34Å; G290-S292 PolarHBondContact O-N 3.29Å; G290-I293 WeakPolarHBondContact O-CG2 3.5Å; G290-K294 WeakPolarHBondContact O-CB 3.35Å; G290-K294 WeakPolarHBondContact O-CD 3.3Å; G290-K294 WeakPolarHBondContact O-CG 3.4Å; G290-K294 PolarHBondContact O-N 3.33Å |
| 291 | E | 89.8 | Confident | 88.7 | Confident | 152 Ų | 152 | 64.8 Ų | 64.8 | 71% | 0.71 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -63 | -40.2 | -179.3 | -169.7 | 177.6 | 114.5 | 0 | 0 | 112.2 | K288 G289 K294 E295 | K288-E291 PolarHBondContact O-N 3.46Å; G289-E291 VanDerWaalsContact C-N 3.3Å; G289-E291 PolarHBondContact O-N 3.49Å; E291-K294 PolarHBondContact O-N 2.97Å; E291-E295 WeakPolarHBondContact O-CB 3.29Å; E291-E295 PolarHBondContact O-N 3.18Å |
| 292 | S | 91.2 | Very high | 88.9 | Confident | 18 Ų | 18 | 60.3 Ų | 60.3 | 13% | 0.126 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -70 | -42.7 | -178.9 | -176.1 | 0 | 0 | 0 | 0 | 111.7 | V285 I286 G290 K294 E295 I296 | V285-S292 CarbonylContact O-C 3.54Å; V285-S292 WeakPolarHBondContact O-CB 3.37Å; V285-S292 PolarHBondContact O-OG 2.9Å; I286-S292 WeakPolarHBondContact O-CB 3.5Å; I286-S292 PolarHBondContact O-N 2.84Å; I286-S292 VanDerWaalsContact O-N 3.15Å; G290-S292 VanDerWaalsContact C-N 3.34Å; G290-S292 PolarHBondContact O-N 3.29Å; S292-K294 VanDerWaalsContact C-N 3.34Å; S292-K294 PolarHBondContact O-N 3.22Å; S292-E295 PolarHBondContact O-N 3.45Å; S292-I296 VanDerWaalsContact O-CG1 3.27Å; S292-I296 WeakPolarHBondContact O-CG1 3.25Å; S292-I296 PolarHBondContact O-N 3.02Å |
| 293 | I | 90.8 | Very high | 89 | Confident | 21 Ų | 21 | 64.6 Ų | 64.6 | 11% | 0.108 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.7 | -36 | 174.8 | -173.9 | 167.8 | 0 | 0 | 0 | 112 | V285 I286 G290 E295 I296 C297 V304 I306 F319 | V285-I293 PolarHBondContact O-N 3.23Å; I286-I293 HydrophobicContact CG2-CG2 4.12Å; I286-I293 PolarHBondContact O-N 3.04Å; I286-I293 VanDerWaalsContact O-N 3.11Å; G290-I293 WeakPolarHBondContact O-CG2 3.5Å; I293-E295 VanDerWaalsContact C-N 3.33Å; I293-I296 PolarHBondContact O-N 3.48Å; I293-C297 PolarHBondContact O-N 3.2Å; I293-C297 PolarHBondContact O-SG 3.49Å; I293-V304 HydrophobicContact CD1-CB 4.38Å; I293-V304 HydrophobicContact CD1-CG1 4.07Å; I293-V304 HydrophobicContact CG1-CB 4.25Å; I293-V304 HydrophobicContact CG1-CG1 4.29Å; I293-I306 HydrophobicContact CD1-CG1 4.45Å; I293-F319 HydrophobicContact CD1-CD1 4.42Å; I293-F319 HydrophobicContact CD1-CE1 4.28Å |
| 294 | K | 91 | Very high | 89.1 | Confident | 145 Ų | 145 | 62.9 Ų | 62.9 | 63% | 0.63 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -62.5 | -42.1 | 173.2 | -76.3 | 170.5 | -177.8 | 173.5 | 0 | 111.3 | G290 E291 S292 C297 R298 | G290-K294 WeakPolarHBondContact O-CB 3.35Å; G290-K294 WeakPolarHBondContact O-CD 3.3Å; G290-K294 WeakPolarHBondContact O-CG 3.4Å; G290-K294 PolarHBondContact O-N 3.33Å; E291-K294 PolarHBondContact O-N 2.97Å; S292-K294 VanDerWaalsContact C-N 3.34Å; S292-K294 PolarHBondContact O-N 3.22Å; K294-C297 PolarHBondContact O-N 3.16Å; K294-R298 WeakPolarHBondContact O-CB 3.49Å; K294-R298 PolarHBondContact O-N 3.46Å |
| 295 | E | 91.3 | Very high | 89.1 | Confident | 76 Ų | 76 | 60.8 Ų | 60.8 | 36% | 0.355 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.7 | -42.7 | 175.7 | -175.3 | 61.5 | -170.8 | 0 | 0 | 111.9 | E291 S292 I293 C297 R298 V299 | E291-E295 WeakPolarHBondContact O-CB 3.29Å; E291-E295 PolarHBondContact O-N 3.18Å; S292-E295 PolarHBondContact O-N 3.45Å; I293-E295 VanDerWaalsContact C-N 3.33Å; E295-C297 VanDerWaalsContact C-N 3.29Å; E295-C297 PolarHBondContact O-N 3.39Å; E295-R298 PolarHBondContact O-N 2.99Å; E295-R298 VanDerWaalsContact O-N 3.14Å; E295-R298 IonicContact OE1-CZ 2.85Å; E295-R298 IonicContact OE1-NE 3.9Å; E295-R298 IonicContact OE1-NH2 2.8Å; E295-R298 PolarHBondContact OE1-NH2 3.08Å; E295-R298 IonicContact OE2-CZ 3.58Å; E295-R298 IonicContact OE2-NE 3.6Å; E295-R298 PolarHBondContact OE2-NE 3.48Å; E295-R298 IonicContact OE2-NH2 2.74Å; E295-R298 PolarHBondContact OE2-NH2 2.96Å; E295-V299 HydrophobicContact CG-CG2 4.16Å; E295-V299 WeakPolarHBondContact O-CB 3.41Å; E295-V299 WeakPolarHBondContact O-CG2 3.39Å; E295-V299 PolarHBondContact O-N 2.68Å; E295-V299 WeakPolarHBondContact OE1-CG2 3.49Å |
| 296 | I | 91.3 | Very high | 88.9 | Confident | 7 Ų | 7 | 63.8 Ų | 63.8 | 4% | 0.036 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57 | -45.4 | 173.7 | -68.8 | 167.3 | 0 | 0 | 0 | 110 | V285 S292 I293 S300 V304 A331 M334 I335 | V285-I296 HydrophobicContact CG1-CD1 3.88Å; S292-I296 VanDerWaalsContact O-CG1 3.27Å; S292-I296 WeakPolarHBondContact O-CG1 3.25Å; S292-I296 PolarHBondContact O-N 3.02Å; I293-I296 PolarHBondContact O-N 3.48Å; I296-S300 VanDerWaalsContact O-CB 3.23Å; I296-S300 WeakPolarHBondContact O-CB 3.36Å; I296-S300 PolarHBondContact O-N 3.37Å; I296-S300 PolarHBondContact O-OG 2.93Å; I296-V304 HydrophobicContact CG2-CG2 3.92Å; I296-A331 HydrophobicContact CG2-CB 4.35Å; I296-M334 HydrophobicContact CB-CE 4.36Å; I296-M334 HydrophobicContact CG1-CB 4.09Å; I296-M334 HydrophobicContact CG2-CB 4.37Å; I296-M334 HydrophobicContact CG2-CE 4.04Å; I296-M334 VanDerWaalsContact O-CE 3.27Å; I296-M334 WeakPolarHBondContact O-CE 3.18Å; I296-I335 HydrophobicContact CD1-CG1 4.09Å; I296-I335 HydrophobicContact CG2-CG1 4.12Å |
| 297 | C | 89.3 | Confident | 88.5 | Confident | 35 Ų | 35 | 63 Ų | 63 | 24% | 0.236 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.4 | -40.8 | 177.1 | -61.7 | 0 | 0 | 0 | 0 | 112.2 | I293 K294 E295 G301 A302 V304 | I293-C297 PolarHBondContact O-N 3.2Å; I293-C297 PolarHBondContact O-SG 3.49Å; K294-C297 PolarHBondContact O-N 3.16Å; E295-C297 VanDerWaalsContact C-N 3.29Å; E295-C297 PolarHBondContact O-N 3.39Å; C297-G301 PolarHBondContact O-N 2.8Å; C297-G301 VanDerWaalsContact O-N 3.15Å; C297-A302 VanDerWaalsContact CA-O 3.23Å; C297-A302 WeakPolarHBondContact CA-O 3.5Å; C297-A302 WeakPolarHBondContact CB-O 3.23Å; C297-V304 PolarHBondContact SG-N 2.92Å; C297-V304 VanDerWaalsContact SG-N 3.37Å |
| 298 | R | 91.9 | Very high | 87.6 | Confident | 188 Ų | 188 | 70.7 Ų | 70.7 | 71% | 0.709 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -65.3 | -43.7 | 179.7 | -173.2 | 177 | 75.6 | 127.4 | 3.1 | 112.5 | K294 E295 | K294-R298 WeakPolarHBondContact O-CB 3.49Å; K294-R298 PolarHBondContact O-N 3.46Å; E295-R298 PolarHBondContact O-N 2.99Å; E295-R298 VanDerWaalsContact O-N 3.14Å; E295-R298 IonicContact OE1-CZ 2.85Å; E295-R298 IonicContact OE1-NE 3.9Å; E295-R298 IonicContact OE1-NH2 2.8Å; E295-R298 PolarHBondContact OE1-NH2 3.08Å; E295-R298 IonicContact OE2-CZ 3.58Å; E295-R298 IonicContact OE2-NE 3.6Å; E295-R298 PolarHBondContact OE2-NE 3.48Å; E295-R298 IonicContact OE2-NH2 2.74Å; E295-R298 PolarHBondContact OE2-NH2 2.96Å |
| 299 | V | 92.9 | Very high | 86.5 | Confident | 71 Ų | 71 | 68.2 Ų | 68.2 | 43% | 0.43 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -83.1 | -37.8 | -175.1 | 174.5 | 0 | 0 | 0 | 0 | 112 | E295 M334 | E295-V299 HydrophobicContact CG-CG2 4.16Å; E295-V299 WeakPolarHBondContact O-CB 3.41Å; E295-V299 WeakPolarHBondContact O-CG2 3.39Å; E295-V299 PolarHBondContact O-N 2.68Å; E295-V299 WeakPolarHBondContact OE1-CG2 3.49Å; V299-M334 HydrophobicContact CB-CE 3.9Å; V299-M334 HydrophobicContact CB-SD 3.94Å; V299-M334 HydrophobicContact CG1-CE 3.97Å; V299-M334 HydrophobicContact CG1-SD 3.7Å |
| 300 | S | 89.6 | Confident | 85.2 | Confident | 9 Ų | 9 | 70 Ų | 70 | 6% | 0.063 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -76.4 | -25.1 | 179.2 | 59.9 | 0 | 0 | 0 | 0 | 113.3 | I296 A302 E327 M334 | I296-S300 VanDerWaalsContact O-CB 3.23Å; I296-S300 WeakPolarHBondContact O-CB 3.36Å; I296-S300 PolarHBondContact O-N 3.37Å; I296-S300 PolarHBondContact O-OG 2.93Å; S300-A302 PolarHBondContact O-N 3.25Å; S300-A302 PolarHBondContact OG-N 2.83Å; S300-A302 PolarHBondContact OG-O 3.02Å; S300-E327 WeakPolarHBondContact O-CA 3.47Å; S300-E327 VanDerWaalsContact O-CB 3.31Å; S300-E327 WeakPolarHBondContact O-CB 3.2Å; S300-E327 WeakPolarHBondContact O-CG 3.49Å; S300-M334 VanDerWaalsContact CB-CE 3.44Å |
| 301 | G | 86.1 | Confident | 83.8 | Confident | 44 Ų | 44 | 71.2 Ų | 71.2 | 45% | 0.454 | 36% | 0.36 | S | S | . | . | trans | 72.5 | -7.3 | -165.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | C297 | C297-G301 PolarHBondContact O-N 2.8Å; C297-G301 VanDerWaalsContact O-N 3.15Å | ||
| 302 | A | 87.7 | Confident | 82.6 | Confident | 2 Ų | 2 | 68.6 Ų | 68.6 | 2% | 0.017 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -86.1 | 148 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | C297 S300 V321 R322 E327 A331 | C297-A302 VanDerWaalsContact CA-O 3.23Å; C297-A302 WeakPolarHBondContact CA-O 3.5Å; C297-A302 WeakPolarHBondContact CB-O 3.23Å; S300-A302 PolarHBondContact O-N 3.25Å; S300-A302 PolarHBondContact OG-N 2.83Å; S300-A302 PolarHBondContact OG-O 3.02Å; A302-V321 HydrophobicContact CB-CG1 3.88Å; A302-R322 CarbonylContact C-O 3.54Å; A302-R322 WeakPolarHBondContact CA-O 2.93Å; A302-R322 WeakPolarHBondContact CB-O 3.35Å; A302-E327 HydrophobicContact CB-CB 3.95Å; A302-A331 HydrophobicContact CB-CB 3.82Å |
| 303 | H | 88.5 | Confident | 81.4 | Confident | 91 Ų | 91 | 71.7 Ų | 71.7 | 42% | 0.421 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 110.8 | 171.7 | -177.6 | 86.4 | 0 | 0 | 0 | 110.3 | E305 R322 | H303-E305 IonicContact NE2-OE2 2.88Å; H303-R322 HydrophobicContact CB-CB 4.28Å; H303-R322 PolarHBondContact CD2-NH2 3.46Å; H303-R322 PolarHBondContact N-O 3.45Å; H303-R322 PolarHBondContact NE2-NH2 3.12Å; H303-R322 PolarHBondContact O-N 3.23Å |
| 304 | V | 89.2 | Confident | 80.6 | Confident | 9 Ų | 9 | 76.2 Ų | 76.2 | 6% | 0.055 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 121.6 | 178.9 | -172.8 | 0 | 0 | 0 | 0 | 109.9 | I293 I296 C297 F319 N320 V321 A331 I335 | I293-V304 HydrophobicContact CD1-CB 4.38Å; I293-V304 HydrophobicContact CD1-CG1 4.07Å; I293-V304 HydrophobicContact CG1-CB 4.25Å; I293-V304 HydrophobicContact CG1-CG1 4.29Å; I296-V304 HydrophobicContact CG2-CG2 3.92Å; C297-V304 PolarHBondContact SG-N 2.92Å; C297-V304 VanDerWaalsContact SG-N 3.37Å; V304-F319 HydrophobicContact CG1-CB 4.21Å; V304-F319 HydrophobicContact CG1-CD1 3.95Å; V304-N320 WeakPolarHBondContact CA-O 3.48Å; V304-V321 HydrophobicContact CG1-CG2 4.31Å; V304-V321 HydrophobicContact CG2-CG1 4.25Å; V304-V321 HydrophobicContact CG2-CG2 4.32Å; V304-A331 HydrophobicContact CG2-CB 4.03Å; V304-I335 HydrophobicContact CG1-CD1 3.84Å; V304-I335 HydrophobicContact CG2-CD1 4.26Å |
| 305 | E | 87.5 | Confident | 80 | Confident | 58 Ų | 58 | 73.3 Ų | 73.3 | 27% | 0.271 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 145.6 | 177.2 | -168.8 | -178.8 | 155.7 | 0 | 0 | 110.2 | H303 F319 N320 R322 | H303-E305 IonicContact NE2-OE2 2.88Å; E305-F319 CarbonylContact O-C 3.5Å; E305-F319 WeakPolarHBondContact O-CA 3.4Å; E305-N320 PolarHBondContact N-O 3.01Å; E305-N320 PolarHBondContact O-N 3.05Å; E305-R322 IonicContact OE2-CZ 3.16Å; E305-R322 IonicContact OE2-NH2 3.91Å; E305-R322 PolarHBondContact OE2-NH2 3.09Å |
| 306 | I | 85.2 | Confident | 79.7 | Confident | 63 Ų | 63 | 72.2 Ų | 72.2 | 32% | 0.323 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 125.8 | 171.6 | -56.6 | 161.9 | 0 | 0 | 0 | 107.7 | I286 I293 K308 F319 | I286-I306 HydrophobicContact CD1-CD1 3.41Å; I286-I306 VanDerWaalsContact CD1-CD1 3.41Å; I286-I306 HydrophobicContact CD1-CG1 4.34Å; I286-I306 HydrophobicContact CG1-CD1 3.88Å; I293-I306 HydrophobicContact CD1-CG1 4.45Å; I306-K308 PolarHBondContact O-N 2.84Å; I306-F319 HydrophobicContact CD1-CE1 4.5Å; I306-F319 HydrophobicContact CG1-CD1 4.02Å; I306-F319 HydrophobicContact CG1-CE1 3.71Å; I306-F319 HydrophobicContact CG1-CZ 4.44Å |
| 307 | S | 79.2 | Confident | 79.4 | Confident | 17 Ų | 17 | 75.9 Ų | 75.9 | 12% | 0.119 | 41% | 0.412 | C | S | . | . | trans | -56.2 | 123 | 174.5 | -67 | 0 | 0 | 0 | 0 | 110.1 | I318 N320 | S307-I318 WeakPolarHBondContact CB-O 3.32Å; S307-I318 PolarHBondContact N-O 3.44Å; S307-I318 WeakPolarHBondContact OG-CG2 3.36Å; S307-I318 PolarHBondContact OG-O 2.8Å; S307-N320 VanDerWaalsContact OG-CG 3.23Å; S307-N320 PolarHBondContact OG-ND2 3.31Å; S307-N320 PolarHBondContact OG-OD1 3.34Å | ||
| 308 | K | 68 | Low | 79.3 | Confident | 185 Ų | 185 | 75.8 Ų | 75.8 | 80% | 0.804 | 41% | 0.409 | S | S | * | . | trans | -78.3 | -9.1 | 172.7 | -61.8 | 177.3 | -172.4 | 171.9 | 0 | 112.4 | I306 | I306-K308 PolarHBondContact O-N 2.84Š| ||
| 309 | E | 63.1 | Low | 79.1 | Confident | 153 Ų | 153 | 66.8 Ų | 66.8 | 72% | 0.715 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -70.8 | 125 | 173.6 | -165.4 | 161.5 | -171.1 | 0 | 0 | 108.5 | P311 | E309-P311 WeakPolarHBondContact O-CD 3.44Å; E309-P311 VanDerWaalsContact O-N 3.08Å |
| 310 | P | 57.5 | Low | 79 | Confident | 114 Ų | 114 | 65 Ų | 65 | 74% | 0.74 | 36% | 0.363 | S | S | * | . | trans | -58.9 | 115.8 | 177.6 | 23.9 | -31.5 | 0 | 0 | 0 | 107.8 | ||||
| 311 | P | 59.6 | Low | 79 | Confident | 38 Ų | 38 | 64.6 Ų | 64.6 | 25% | 0.247 | 36% | 0.36 | C | S | . | . | trans | -60.3 | 144.4 | 175.7 | -17.3 | 30.7 | 0 | 0 | 0 | 108.5 | E309 D313 I316 I318 | E309-P311 WeakPolarHBondContact O-CD 3.44Å; E309-P311 VanDerWaalsContact O-N 3.08Å; P311-D313 PolarHBondContact O-N 2.73Å; P311-D313 VanDerWaalsContact O-N 3.13Å; P311-I316 HydrophobicContact CB-CG1 4.14Å; P311-I316 WeakPolarHBondContact CG-O 3.31Å; P311-I318 HydrophobicContact CB-CD1 4.5Å | ||
| 312 | P | 63.8 | Low | 79 | Confident | 96 Ų | 96 | 65.5 Ų | 65.5 | 62% | 0.623 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -56.3 | -29.3 | 175.3 | 21.6 | -31.3 | 0 | 0 | 0 | 111.5 | ||
| 313 | D | 66.3 | Low | 79 | Confident | 83 Ų | 83 | 65.4 Ų | 65.4 | 44% | 0.444 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -110.1 | 120.7 | 176.7 | -66.7 | -77.2 | 0 | 0 | 0 | 112 | P311 S315 I316 | P311-D313 PolarHBondContact O-N 2.73Å; P311-D313 VanDerWaalsContact O-N 3.13Å; D313-S315 PolarHBondContact O-N 3.49Å; D313-S315 VanDerWaalsContact O-N 3.08Å; D313-I316 HydrophobicContact CB-CD1 4.03Å; D313-I316 HydrophobicContact CB-CG1 3.92Å; D313-I316 PolarHBondContact O-N 2.98Å |
| 314 | P | 73.3 | Confident | 78.8 | Confident | 116 Ų | 116 | 64 Ų | 64 | 75% | 0.753 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -14.4 | 175.6 | 27.6 | -34.7 | 0 | 0 | 0 | 113.1 | A279 I316 | A279-P314 WeakPolarHBondContact CB-O 3.27Å; P314-I316 VanDerWaalsContact C-N 3.33Å |
| 315 | S | 78.8 | Confident | 78.6 | Confident | 85 Ų | 85 | 71.4 Ų | 71.4 | 59% | 0.594 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -10.1 | 179.7 | -57 | 0 | 0 | 0 | 0 | 113.7 | P278 A279 D313 | P278-S315 CarbonylContact C-O 3.59Å; P278-S315 WeakPolarHBondContact CA-O 3.39Å; A279-S315 PolarHBondContact N-O 3.15Å; D313-S315 PolarHBondContact O-N 3.49Å; D313-S315 VanDerWaalsContact O-N 3.08Å |
| 316 | I | 84.4 | Confident | 78.7 | Confident | 52 Ų | 52 | 76.4 Ų | 76.4 | 27% | 0.267 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 148 | 178.4 | 67 | -174.7 | 0 | 0 | 0 | 110.9 | V277 P311 D313 P314 | V277-I316 CarbonylContact O-C 3.6Å; P311-I316 HydrophobicContact CB-CG1 4.14Å; P311-I316 WeakPolarHBondContact CG-O 3.31Å; D313-I316 HydrophobicContact CB-CD1 4.03Å; D313-I316 HydrophobicContact CB-CG1 3.92Å; D313-I316 PolarHBondContact O-N 2.98Å; P314-I316 VanDerWaalsContact C-N 3.33Å |
| 317 | K | 85.8 | Confident | 79 | Confident | 84 Ų | 84 | 75.4 Ų | 75.4 | 37% | 0.365 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 129.7 | 169.7 | -68.7 | -166.2 | -176.3 | -167.8 | 0 | 109 | V277 A279 A282 F319 | V277-K317 PolarHBondContact N-O 2.87Å; V277-K317 PolarHBondContact O-N 3.41Å; A279-K317 HydrophobicContact CB-CG 4.14Å; A282-K317 HydrophobicContact CB-CB 3.96Å; A282-K317 HydrophobicContact CB-CD 3.7Å; A282-K317 HydrophobicContact CB-CG 4.13Å; K317-F319 HydrophobicContact CB-CE2 4.24Å |
| 318 | I | 86.7 | Confident | 79.5 | Confident | 33 Ų | 33 | 75.1 Ų | 75.1 | 17% | 0.169 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 129.3 | 179.8 | -57.3 | 173.9 | 0 | 0 | 0 | 108.5 | Q274 S307 P311 | Q274-I318 HydrophobicContact CB-CG2 3.93Å; Q274-I318 HydrophobicContact CG-CG2 4.36Å; S307-I318 WeakPolarHBondContact CB-O 3.32Å; S307-I318 PolarHBondContact N-O 3.44Å; S307-I318 WeakPolarHBondContact OG-CG2 3.36Å; S307-I318 PolarHBondContact OG-O 2.8Å; P311-I318 HydrophobicContact CB-CD1 4.5Å |
| 319 | F | 88.7 | Confident | 80.5 | Confident | 0 Ų | 0 | 71.4 Ų | 71.4 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 120.8 | 172.3 | -68 | -96.6 | 0 | 0 | 0 | 108.8 | Q274 Y275 V277 A282 V285 I286 I293 V304 E305 I306 K317 | Q274-F319 WeakPolarHBondContact CA-O 3.39Å; Y275-F319 PolarHBondContact N-O 3.22Å; Y275-F319 PolarHBondContact O-N 3.4Å; V277-F319 HydrophobicContact CB-CD2 4.06Å; V277-F319 HydrophobicContact CB-CE2 3.71Å; V277-F319 HydrophobicContact CG1-CE2 4.45Å; V277-F319 HydrophobicContact CG2-CD2 3.6Å; V277-F319 HydrophobicContact CG2-CE2 3.63Å; A282-F319 HydrophobicContact CB-CE2 3.94Å; A282-F319 HydrophobicContact CB-CZ 3.92Å; V285-F319 HydrophobicContact CB-CZ 4.27Å; V285-F319 HydrophobicContact CG1-CE1 4.1Å; V285-F319 HydrophobicContact CG1-CZ 4.15Å; I286-F319 HydrophobicContact CD1-CZ 4.42Å; I286-F319 HydrophobicContact CG1-CE1 4.1Å; I286-F319 HydrophobicContact CG1-CZ 4.22Å; I293-F319 HydrophobicContact CD1-CD1 4.42Å; I293-F319 HydrophobicContact CD1-CE1 4.28Å; V304-F319 HydrophobicContact CG1-CB 4.21Å; V304-F319 HydrophobicContact CG1-CD1 3.95Å; E305-F319 CarbonylContact O-C 3.5Å; E305-F319 WeakPolarHBondContact O-CA 3.4Å; I306-F319 HydrophobicContact CD1-CE1 4.5Å; I306-F319 HydrophobicContact CG1-CD1 4.02Å; I306-F319 HydrophobicContact CG1-CE1 3.71Å; I306-F319 HydrophobicContact CG1-CZ 4.44Å; K317-F319 HydrophobicContact CB-CE2 4.24Å |
| 320 | N | 89.7 | Confident | 82 | Confident | 33 Ų | 33 | 66.9 Ų | 66.9 | 18% | 0.176 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 112.3 | 170.3 | -70 | -34.6 | 0 | 0 | 0 | 109 | Q274 V304 E305 S307 | Q274-N320 WeakPolarHBondContact CG-OD1 3.45Å; V304-N320 WeakPolarHBondContact CA-O 3.48Å; E305-N320 PolarHBondContact N-O 3.01Å; E305-N320 PolarHBondContact O-N 3.05Å; S307-N320 VanDerWaalsContact OG-CG 3.23Å; S307-N320 PolarHBondContact OG-ND2 3.31Å; S307-N320 PolarHBondContact OG-OD1 3.34Å |
| 321 | V | 89.9 | Confident | 83.6 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 114.5 | 177.6 | -174 | 0 | 0 | 0 | 0 | 108.1 | T272 S273 A302 V304 I328 A331 I332 I335 | T272-V321 CarbonylContact C-O 3.46Å; T272-V321 WeakPolarHBondContact CA-O 3.43Å; S273-V321 PolarHBondContact N-O 2.97Å; S273-V321 PolarHBondContact O-N 3.47Å; A302-V321 HydrophobicContact CB-CG1 3.88Å; V304-V321 HydrophobicContact CG1-CG2 4.31Å; V304-V321 HydrophobicContact CG2-CG1 4.25Å; V304-V321 HydrophobicContact CG2-CG2 4.32Å; V321-I328 HydrophobicContact CB-CG2 4.32Å; V321-I328 HydrophobicContact CG1-CB 4.17Å; V321-I328 HydrophobicContact CG1-CG1 4.12Å; V321-I328 HydrophobicContact CG1-CG2 3.96Å; V321-A331 HydrophobicContact CG1-CB 3.62Å; V321-I332 HydrophobicContact CG2-CG1 4.3Å; V321-I335 HydrophobicContact CG2-CD1 3.93Å |
| 322 | R | 87.1 | Confident | 85.1 | Confident | 64 Ų | 64 | 60.8 Ų | 60.8 | 24% | 0.242 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 122.2 | 177.8 | -68.9 | -167 | -78.6 | -114.7 | -7.9 | 109.8 | E271 T272 A302 H303 E305 | E271-R322 WeakPolarHBondContact O-CA 3.16Å; T272-R322 HydrophobicContact CG2-CG 3.8Å; T272-R322 WeakPolarHBondContact OG1-CG 3.14Å; A302-R322 CarbonylContact C-O 3.54Å; A302-R322 WeakPolarHBondContact CA-O 2.93Å; A302-R322 WeakPolarHBondContact CB-O 3.35Å; H303-R322 HydrophobicContact CB-CB 4.28Å; H303-R322 PolarHBondContact CD2-NH2 3.46Å; H303-R322 PolarHBondContact N-O 3.45Å; H303-R322 PolarHBondContact NE2-NH2 3.12Å; H303-R322 PolarHBondContact O-N 3.23Å; E305-R322 IonicContact OE2-CZ 3.16Å; E305-R322 IonicContact OE2-NH2 3.91Å; E305-R322 PolarHBondContact OE2-NH2 3.09Å |
| 323 | G | 86.2 | Confident | 86.4 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.9 | 164.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q270 E271 E327 I328 | Q270-G323 CarbonylContact C-O 3.59Å; Q270-G323 WeakPolarHBondContact CA-O 3.19Å; Q270-G323 VanDerWaalsContact CG-C 3.44Å; E271-G323 PolarHBondContact N-O 3.42Å; E271-G323 PolarHBondContact O-N 2.95Å; G323-E327 WeakPolarHBondContact CA-OE2 3.24Å; G323-I328 VanDerWaalsContact O-CD1 3.25Å; G323-I328 WeakPolarHBondContact O-CD1 3.3Å; G323-I328 WeakPolarHBondContact O-CG1 3.13Å |
| 324 | N | 85.9 | Confident | 87.6 | Confident | 61 Ų | 61 | 60.5 Ų | 60.5 | 33% | 0.326 | 29% | 0.291 | S | S | . | . | trans | -57.5 | 153.1 | 161.6 | -65.7 | -43.8 | 0 | 0 | 0 | 108.1 | G269 Q326 E327 I328 | G269-N324 PolarHBondContact O-OD1 2.95Å; N324-Q326 PolarHBondContact O-N 3.46Å; N324-E327 HydrophobicContact CB-CB 4.39Å; N324-E327 HydrophobicContact CB-CG 3.95Å; N324-E327 WeakPolarHBondContact CB-OE2 3.22Å; N324-E327 PolarHBondContact N-OE2 3.36Å; N324-E327 VanDerWaalsContact ND2-CD 3.3Å; N324-E327 PolarHBondContact ND2-OE1 3.13Å; N324-E327 PolarHBondContact ND2-OE2 3.2Å; N324-E327 WeakPolarHBondContact O-CA 3.43Å; N324-E327 WeakPolarHBondContact O-CB 3.45Å; N324-E327 PolarHBondContact O-N 3.1Å; N324-I328 WeakPolarHBondContact O-CG1 3.42Å; N324-I328 PolarHBondContact O-N 3.44Å | ||
| 325 | R | 85 | Confident | 88.5 | Confident | 165 Ų | 165 | 55 Ų | 55 | 62% | 0.623 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -43.5 | -47.3 | -179.9 | -166.5 | 171.1 | 167 | 173.9 | 0.4 | 114 | E271 I328 E329 | E271-R325 WeakPolarHBondContact OE2-CB 3.41Å; R325-I328 PolarHBondContact O-N 3.07Å; R325-E329 VanDerWaalsContact O-CG 3.32Å; R325-E329 WeakPolarHBondContact O-CG 3.47Å; R325-E329 PolarHBondContact O-N 3.18Å |
| 326 | Q | 88.8 | Confident | 88.9 | Confident | 162 Ų | 162 | 51.3 Ų | 51.3 | 76% | 0.757 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -65.6 | -38.9 | 178.7 | -65.2 | -177.4 | -5.6 | 0 | 0 | 113 | N324 Q330 | N324-Q326 PolarHBondContact O-N 3.46Å; Q326-Q330 VanDerWaalsContact O-CB 3.27Å; Q326-Q330 WeakPolarHBondContact O-CB 3.39Å; Q326-Q330 PolarHBondContact O-N 2.99Å |
| 327 | E | 90.7 | Very high | 89.1 | Confident | 43 Ų | 43 | 55.7 Ų | 55.7 | 20% | 0.201 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.1 | -41.2 | 177.7 | -61.6 | 168.6 | 173.2 | 0 | 0 | 110.5 | S300 A302 G323 N324 Q330 A331 | S300-E327 WeakPolarHBondContact O-CA 3.47Å; S300-E327 VanDerWaalsContact O-CB 3.31Å; S300-E327 WeakPolarHBondContact O-CB 3.2Å; S300-E327 WeakPolarHBondContact O-CG 3.49Å; A302-E327 HydrophobicContact CB-CB 3.95Å; G323-E327 WeakPolarHBondContact CA-OE2 3.24Å; N324-E327 HydrophobicContact CB-CB 4.39Å; N324-E327 HydrophobicContact CB-CG 3.95Å; N324-E327 WeakPolarHBondContact CB-OE2 3.22Å; N324-E327 PolarHBondContact N-OE2 3.36Å; N324-E327 VanDerWaalsContact ND2-CD 3.3Å; N324-E327 PolarHBondContact ND2-OE1 3.13Å; N324-E327 PolarHBondContact ND2-OE2 3.2Å; N324-E327 WeakPolarHBondContact O-CA 3.43Å; N324-E327 WeakPolarHBondContact O-CB 3.45Å; N324-E327 PolarHBondContact O-N 3.1Å; E327-Q330 PolarHBondContact O-N 3.45Å; E327-A331 WeakPolarHBondContact O-CB 3.43Å; E327-A331 PolarHBondContact O-N 3.39Å |
| 328 | I | 90.1 | Very high | 89 | Confident | 10 Ų | 10 | 59 Ų | 59 | 5% | 0.051 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63 | -50.3 | 175.5 | -63.1 | 177.5 | 0 | 0 | 0 | 110.7 | E271 V321 G323 N324 R325 Q330 A331 I332 | E271-I328 VanDerWaalsContact C-CD1 3.48Å; E271-I328 HydrophobicContact CB-CD1 3.36Å; E271-I328 WeakPolarHBondContact O-CD1 3.25Å; V321-I328 HydrophobicContact CB-CG2 4.32Å; V321-I328 HydrophobicContact CG1-CB 4.17Å; V321-I328 HydrophobicContact CG1-CG1 4.12Å; V321-I328 HydrophobicContact CG1-CG2 3.96Å; G323-I328 VanDerWaalsContact O-CD1 3.25Å; G323-I328 WeakPolarHBondContact O-CD1 3.3Å; G323-I328 WeakPolarHBondContact O-CG1 3.13Å; N324-I328 WeakPolarHBondContact O-CG1 3.42Å; N324-I328 PolarHBondContact O-N 3.44Å; R325-I328 PolarHBondContact O-N 3.07Å; I328-Q330 PolarHBondContact O-N 3.24Å; I328-A331 PolarHBondContact O-N 3.3Å; I328-I332 HydrophobicContact CG2-CD1 3.58Å; I328-I332 HydrophobicContact CG2-CG1 4.17Å; I328-I332 WeakPolarHBondContact O-CB 3.5Å; I328-I332 VanDerWaalsContact O-CG1 3.31Å; I328-I332 WeakPolarHBondContact O-CG1 3.36Å; I328-I332 PolarHBondContact O-N 2.96Å |
| 329 | E | 90.3 | Very high | 88.7 | Confident | 108 Ų | 108 | 57.4 Ų | 57.4 | 51% | 0.505 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58.6 | -40.4 | 179.2 | -73.8 | 174.4 | 132.1 | 0 | 0 | 110.9 | R325 R333 | R325-E329 VanDerWaalsContact O-CG 3.32Å; R325-E329 WeakPolarHBondContact O-CG 3.47Å; R325-E329 PolarHBondContact O-N 3.18Å; E329-R333 WeakPolarHBondContact O-CB 3.12Å; E329-R333 PolarHBondContact O-N 3.08Å |
| 330 | Q | 92.6 | Very high | 87.9 | Confident | 57 Ų | 57 | 60.2 Ų | 60.2 | 27% | 0.266 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65 | -44.8 | 175.4 | -177.1 | 65.4 | 0.5 | 0 | 0 | 112.6 | Q326 E327 I328 R333 M334 | Q326-Q330 VanDerWaalsContact O-CB 3.27Å; Q326-Q330 WeakPolarHBondContact O-CB 3.39Å; Q326-Q330 PolarHBondContact O-N 2.99Å; E327-Q330 PolarHBondContact O-N 3.45Å; I328-Q330 PolarHBondContact O-N 3.24Å; Q330-R333 PolarHBondContact O-N 3.38Å; Q330-R333 VanDerWaalsContact OE1-CZ 3.22Å; Q330-M334 HydrophobicContact CG-CE 4.27Å; Q330-M334 WeakPolarHBondContact O-CG 3.47Å; Q330-M334 PolarHBondContact O-N 2.61Å; Q330-M334 VanDerWaalsContact O-N 3.08Å |
| 331 | A | 92.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64 | -46.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I296 A302 V304 V321 E327 I328 R333 M334 I335 | I296-A331 HydrophobicContact CG2-CB 4.35Å; A302-A331 HydrophobicContact CB-CB 3.82Å; V304-A331 HydrophobicContact CG2-CB 4.03Å; V321-A331 HydrophobicContact CG1-CB 3.62Å; E327-A331 WeakPolarHBondContact O-CB 3.43Å; E327-A331 PolarHBondContact O-N 3.39Å; I328-A331 PolarHBondContact O-N 3.3Å; A331-R333 VanDerWaalsContact C-N 3.3Å; A331-R333 PolarHBondContact O-N 3.34Å; A331-M334 PolarHBondContact O-N 2.91Å; A331-I335 WeakPolarHBondContact O-CD1 3.4Å; A331-I335 WeakPolarHBondContact O-CG1 3.36Å; A331-I335 PolarHBondContact O-N 3.43Å |
| 332 | I | 91.5 | Very high | 84.8 | Confident | 25 Ų | 25 | 65.8 Ų | 65.8 | 13% | 0.128 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.9 | -43.1 | 176.8 | -70.1 | 174.4 | 0 | 0 | 0 | 110.4 | Y275 V321 I328 M334 I335 S336 | Y275-I332 HydrophobicContact CD2-CG1 4.36Å; Y275-I332 HydrophobicContact CD2-CG2 3.65Å; Y275-I332 HydrophobicContact CE2-CG2 3.66Å; Y275-I332 HydrophobicContact CG-CG1 4.45Å; Y275-I332 HydrophobicContact CG-CG2 4.29Å; V321-I332 HydrophobicContact CG2-CG1 4.3Å; I328-I332 HydrophobicContact CG2-CD1 3.58Å; I328-I332 HydrophobicContact CG2-CG1 4.17Å; I328-I332 WeakPolarHBondContact O-CB 3.5Å; I328-I332 VanDerWaalsContact O-CG1 3.31Å; I328-I332 WeakPolarHBondContact O-CG1 3.36Å; I328-I332 PolarHBondContact O-N 2.96Å; I332-M334 PolarHBondContact O-N 3.22Å; I332-I335 PolarHBondContact O-N 2.87Å; I332-S336 WeakPolarHBondContact O-CB 3.46Å; I332-S336 PolarHBondContact O-N 3.11Å; I332-S336 PolarHBondContact O-OG 2.84Å |
| 333 | R | 91.2 | Very high | 82.9 | Confident | 142 Ų | 142 | 68.8 Ų | 68.8 | 54% | 0.536 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.7 | -48.9 | 176 | -172.7 | 172.4 | 68.8 | 176.7 | 4.4 | 111.6 | E329 Q330 A331 I335 S336 E337 | E329-R333 WeakPolarHBondContact O-CB 3.12Å; E329-R333 PolarHBondContact O-N 3.08Å; Q330-R333 PolarHBondContact O-N 3.38Å; Q330-R333 VanDerWaalsContact OE1-CZ 3.22Å; A331-R333 VanDerWaalsContact C-N 3.3Å; A331-R333 PolarHBondContact O-N 3.34Å; R333-I335 PolarHBondContact O-N 2.96Å; R333-S336 PolarHBondContact O-N 3.38Å; R333-S336 PolarHBondContact O-OG 3.1Å; R333-E337 WeakPolarHBondContact O-CB 3.45Å; R333-E337 PolarHBondContact O-N 2.81Å |
| 334 | M | 91.1 | Very high | 80.9 | Confident | 31 Ų | 31 | 74.7 Ų | 74.7 | 15% | 0.153 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.6 | -38 | 177.7 | -69.7 | -167.1 | -72.5 | 0 | 0 | 112.8 | I296 V299 S300 Q330 A331 I332 E337 R338 | I296-M334 HydrophobicContact CB-CE 4.36Å; I296-M334 HydrophobicContact CG1-CB 4.09Å; I296-M334 HydrophobicContact CG2-CB 4.37Å; I296-M334 HydrophobicContact CG2-CE 4.04Å; I296-M334 VanDerWaalsContact O-CE 3.27Å; I296-M334 WeakPolarHBondContact O-CE 3.18Å; V299-M334 HydrophobicContact CB-CE 3.9Å; V299-M334 HydrophobicContact CB-SD 3.94Å; V299-M334 HydrophobicContact CG1-CE 3.97Å; V299-M334 HydrophobicContact CG1-SD 3.7Å; S300-M334 VanDerWaalsContact CB-CE 3.44Å; Q330-M334 HydrophobicContact CG-CE 4.27Å; Q330-M334 WeakPolarHBondContact O-CG 3.47Å; Q330-M334 PolarHBondContact O-N 2.61Å; Q330-M334 VanDerWaalsContact O-N 3.08Å; A331-M334 PolarHBondContact O-N 2.91Å; I332-M334 PolarHBondContact O-N 3.22Å; M334-E337 PolarHBondContact O-N 3.39Å; M334-R338 WeakPolarHBondContact O-CB 3.47Å; M334-R338 PolarHBondContact O-N 2.82Å |
| 335 | I | 91.2 | Very high | 78.8 | Confident | 0 Ų | 0 | 81.4 Ų | 81.4 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.6 | -44.8 | 175.3 | -66 | 162.7 | 0 | 0 | 0 | 110.3 | Y275 V277 V285 I296 V304 V321 A331 I332 R333 R338 A339 | Y275-I335 HydrophobicContact CD1-CB 4.25Å; Y275-I335 HydrophobicContact CD1-CG2 3.53Å; Y275-I335 HydrophobicContact CE1-CB 4.31Å; Y275-I335 HydrophobicContact CE1-CG2 3.61Å; V277-I335 HydrophobicContact CG2-CG2 3.64Å; V285-I335 HydrophobicContact CG1-CB 4.25Å; V285-I335 HydrophobicContact CG1-CG1 3.99Å; V285-I335 HydrophobicContact CG1-CG2 3.77Å; V285-I335 HydrophobicContact CG2-CG2 3.99Å; I296-I335 HydrophobicContact CD1-CG1 4.09Å; I296-I335 HydrophobicContact CG2-CG1 4.12Å; V304-I335 HydrophobicContact CG1-CD1 3.84Å; V304-I335 HydrophobicContact CG2-CD1 4.26Å; V321-I335 HydrophobicContact CG2-CD1 3.93Å; A331-I335 WeakPolarHBondContact O-CD1 3.4Å; A331-I335 WeakPolarHBondContact O-CG1 3.36Å; A331-I335 PolarHBondContact O-N 3.43Å; I332-I335 PolarHBondContact O-N 2.87Å; R333-I335 PolarHBondContact O-N 2.96Å; I335-R338 PolarHBondContact O-N 3.38Å; I335-A339 WeakPolarHBondContact O-CB 3.31Å; I335-A339 PolarHBondContact O-N 2.92Å |
| 336 | S | 87.3 | Confident | 76.5 | Confident | 7 Ų | 7 | 80.1 Ų | 80.1 | 5% | 0.049 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.3 | -42.6 | 178.5 | 73.8 | 0 | 0 | 0 | 0 | 112.3 | Y275 I332 R333 A339 G340 I341 | Y275-S336 WeakPolarHBondContact OH-CB 3.18Å; I332-S336 WeakPolarHBondContact O-CB 3.46Å; I332-S336 PolarHBondContact O-N 3.11Å; I332-S336 PolarHBondContact O-OG 2.84Å; R333-S336 PolarHBondContact O-N 3.38Å; R333-S336 PolarHBondContact O-OG 3.1Å; S336-A339 PolarHBondContact O-N 3.13Å; S336-G340 PolarHBondContact O-N 2.84Å; S336-G340 VanDerWaalsContact O-N 3.1Å; S336-I341 PolarHBondContact O-N 3.43Å |
| 337 | E | 88.7 | Confident | 74.2 | Confident | 145 Ų | 145 | 74.9 Ų | 74.9 | 68% | 0.678 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -64.4 | -43.5 | 177.7 | -172.5 | 177.6 | 164.9 | 0 | 0 | 111.2 | R333 M334 G340 | R333-E337 WeakPolarHBondContact O-CB 3.45Å; R333-E337 PolarHBondContact O-N 2.81Å; M334-E337 PolarHBondContact O-N 3.39Å; E337-G340 PolarHBondContact O-N 2.85Å; E337-G340 VanDerWaalsContact O-N 3.17Å |
| 338 | R | 84 | Confident | 71.8 | Confident | 152 Ų | 152 | 78.5 Ų | 78.5 | 57% | 0.574 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -73.6 | -31 | 179.1 | -142.1 | 70.2 | 173.1 | 163.6 | -1.5 | 113.5 | V285 M334 I335 G340 | V285-R338 HydrophobicContact CG2-CB 4.29Å; M334-R338 WeakPolarHBondContact O-CB 3.47Å; M334-R338 PolarHBondContact O-N 2.82Å; I335-R338 PolarHBondContact O-N 3.38Å; R338-G340 PolarHBondContact O-N 3.23Å |
| 339 | A | 81.6 | Confident | 69.3 | Low | 1 Ų | 1 | 84.6 Ų | 84.6 | 1% | 0.008 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -73 | -13.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V277 K281 V285 I335 S336 I341 | V277-A339 HydrophobicContact CG1-CB 3.72Å; K281-A339 HydrophobicContact CB-CB 4.09Å; K281-A339 WeakPolarHBondContact CD-O 3.45Å; K281-A339 WeakPolarHBondContact CG-O 3.42Å; V285-A339 HydrophobicContact CG2-CB 3.78Å; I335-A339 WeakPolarHBondContact O-CB 3.31Å; I335-A339 PolarHBondContact O-N 2.92Å; S336-A339 PolarHBondContact O-N 3.13Å; A339-I341 HydrophobicContact CB-CD1 3.6Å; A339-I341 HydrophobicContact CB-CG1 3.68Å; A339-I341 PolarHBondContact O-N 3.13Å |
| 340 | G | 71.7 | Confident | 66.8 | Low | 58 Ų | 58 | 85.7 Ų | 85.7 | 60% | 0.598 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.8 | 26.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S336 E337 R338 P342 | S336-G340 PolarHBondContact O-N 2.84Å; S336-G340 VanDerWaalsContact O-N 3.1Å; E337-G340 PolarHBondContact O-N 2.85Å; E337-G340 VanDerWaalsContact O-N 3.17Å; R338-G340 PolarHBondContact O-N 3.23Å; G340-P342 WeakPolarHBondContact O-CD 3.49Å |
| 341 | I | 61.5 | Low | 63.9 | Low | 50 Ų | 50 | 86.9 Ų | 86.9 | 26% | 0.256 | 49% | 0.492 | S | S | . | . | trans | -89.7 | 114 | 177 | -55.1 | 167.1 | 0 | 0 | 0 | 106.4 | V277 P278 S336 A339 M343 | V277-I341 HydrophobicContact CG1-CD1 4.21Å; P278-I341 HydrophobicContact CG-CD1 4.49Å; S336-I341 PolarHBondContact O-N 3.43Å; A339-I341 HydrophobicContact CB-CD1 3.6Å; A339-I341 HydrophobicContact CB-CG1 3.68Å; A339-I341 PolarHBondContact O-N 3.13Å; I341-M343 PolarHBondContact O-N 3.48Å | ||
| 342 | P | 52.5 | Low | 61.2 | Low | 100 Ų | 100 | 91.5 Ų | 91.5 | 65% | 0.649 | 53% | 0.53 | S | S | * | . | trans | -61.7 | 124.3 | 173.4 | 25.3 | -31.4 | 0 | 0 | 0 | 108.7 | G340 T344 | G340-P342 WeakPolarHBondContact O-CD 3.49Å; P342-T344 VanDerWaalsContact C-N 3.29Å; P342-T344 PolarHBondContact O-N 2.8Å | ||
| 343 | M | 46.2 | Very low | 59.3 | Low | 127 Ų | 127 | 96.6 Ų | 96.6 | 63% | 0.626 | 56% | 0.562 | S | S | * | * | trans | -63 | 89.4 | 174.9 | -163.4 | 101.6 | -176.5 | 0 | 0 | 108.9 | I341 R345 | I341-M343 PolarHBondContact O-N 3.48Å; M343-R345 VanDerWaalsContact C-N 3.31Å; M343-R345 PolarHBondContact O-N 2.73Å | ||
| 344 | T | 44.4 | Very low | 56.9 | Low | 125 Ų | 125 | 96 Ų | 96 | 77% | 0.767 | 58% | 0.577 | S | S | * | * | trans | -71.6 | 93.4 | 167.8 | 57.1 | 0 | 0 | 0 | 0 | 106.9 | P342 | P342-T344 VanDerWaalsContact C-N 3.29Å; P342-T344 PolarHBondContact O-N 2.8Å | ||
| 345 | R | 43.3 | Very low | 54.5 | Low | 201 Ų | 201 | 97.6 Ų | 97.6 | 76% | 0.758 | 60% | 0.602 | S | S | * | * | trans | -50.4 | 133.7 | 162.4 | -88.2 | 169.1 | 59.5 | -179.7 | -2 | 107.9 | M343 A347 | M343-R345 VanDerWaalsContact C-N 3.31Å; M343-R345 PolarHBondContact O-N 2.73Å; R345-A347 HydrophobicContact CB-CB 4.19Å; R345-A347 PolarHBondContact O-N 2.85Å | ||
| 346 | P | 36.4 | Very low | 52.1 | Low | 139 Ų | 139 | 102.7 Ų | 102.7 | 90% | 0.903 | 63% | 0.634 | S | S | * | * | trans | -69.7 | 89.9 | 157.5 | 29.2 | -27.1 | 0 | 0 | 0 | 106.2 | ||||
| 347 | A | 39.9 | Very low | 49.6 | Very low | 51 Ų | 51 | 114 Ų | 114 | 42% | 0.421 | 68% | 0.676 | S | S | . | * | trans | -134.7 | 96 | 170.9 | 0 | 0 | 0 | 0 | 0 | 107 | R345 | R345-A347 HydrophobicContact CB-CB 4.19Å; R345-A347 PolarHBondContact O-N 2.85Å | ||
| 348 | T | 39.1 | Very low | 47.1 | Very low | 119 Ų | 119 | 110.7 Ų | 110.7 | 73% | 0.73 | 68% | 0.681 | S | S | * | * | trans | 47 | 102.3 | 133.3 | -38.3 | 0 | 0 | 0 | 0 | 116.2 | T350 | T348-T350 PolarHBondContact O-N 2.85Å; T348-T350 PolarHBondContact O-OG1 3.38Å | ||
| 349 | T | 37.6 | Very low | 45 | Very low | 139 Ų | 139 | 110.9 Ų | 110.9 | 85% | 0.853 | 69% | 0.688 | S | S | * | * | trans | 11.4 | 90.1 | 136.7 | -54.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 350 | T | 38 | Very low | 42.9 | Very low | 130 Ų | 130 | 120.9 Ų | 120.9 | 80% | 0.798 | 73% | 0.727 | S | S | * | * | trans | -147.9 | 78.8 | 153.2 | 15.9 | 0 | 0 | 0 | 0 | 106.6 | T348 A352 | T348-T350 PolarHBondContact O-N 2.85Å; T348-T350 PolarHBondContact O-OG1 3.38Å; T350-A352 PolarHBondContact O-N 3.37Å; T350-A352 VanDerWaalsContact O-N 3.13Å | ||
| 351 | G | 32.7 | Very low | 41.3 | Very low | 83 Ų | 83 | 121.4 Ų | 121.4 | 86% | 0.856 | 73% | 0.733 | S | S | * | * | trans | -60.5 | 110.3 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 352 | A | 36.4 | Very low | 40.5 | Very low | 96 Ų | 96 | 130.3 Ų | 130.3 | 79% | 0.793 | 77% | 0.765 | S | S | * | * | trans | -128.7 | 70.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | T350 | T350-A352 PolarHBondContact O-N 3.37Å; T350-A352 VanDerWaalsContact O-N 3.13Å | ||
| 353 | V | 50.2 | Low | 40.2 | Very low | 133 Ų | 133 | 131 Ų | 131 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | trans | -76.6 | 130.9 | 157 | -73.4 | 0 | 0 | 0 | 0 | 107.3 | G355 | V353-G355 PolarHBondContact O-N 3.14Š| ||
| 354 | P | 41.9 | Very low | 40 | Very low | 128 Ų | 128 | 132.6 Ų | 132.6 | 83% | 0.831 | 78% | 0.775 | S | S | * | * | trans | -74.3 | 114 | 172.1 | 1.7 | 14.4 | 0 | 0 | 0 | 108.1 | ||||
| 355 | G | 40.3 | Very low | 39.8 | Very low | 66 Ų | 66 | 130.7 Ų | 130.7 | 68% | 0.68 | 77% | 0.772 | S | S | * | * | trans | -67.4 | 164.3 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | V353 | V353-G355 PolarHBondContact O-N 3.14Š| ||
| 356 | P | 40.2 | Very low | 39.7 | Very low | 106 Ų | 106 | 127.7 Ų | 127.7 | 69% | 0.688 | 77% | 0.771 | S | S | * | * | -130.4 | 170.3 | 97.9 | 21.1 | -2.3 | 0 | 0 | 0 | 112 | |||||
| 357 | W | 35.5 | Very low | 39.8 | Very low | 246 Ų | 246 | 126 Ų | 126 | 93% | 0.932 | 76% | 0.76 | S | S | * | * | trans | 102.4 | 107.5 | 169 | -47.9 | 105.3 | 0 | 0 | 0 | 117.8 | ||||
| 358 | G | 36.2 | Very low | 39.6 | Very low | 75 Ų | 75 | 135.2 Ų | 135.2 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | trans | 88.9 | 99.2 | 150.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 359 | Q | 39.9 | Very low | 39.8 | Very low | 155 Ų | 155 | 135.9 Ų | 135.9 | 72% | 0.724 | 79% | 0.788 | S | S | * | * | cis | 80.9 | 119.3 | 47.7 | -149.7 | -176.6 | -5.7 | 0 | 0 | 114.1 | ||||
| 360 | Y | 37.5 | Very low | 39.6 | Very low | 211 Ų | 211 | 138.7 Ų | 138.7 | 83% | 0.827 | 79% | 0.794 | S | S | * | * | trans | 75.5 | 129 | 176 | -59.9 | -79.8 | 0 | 0 | 0 | 116.2 | ||||
| 361 | G | 37 | Very low | 39.7 | Very low | 70 Ų | 70 | 137.3 Ų | 137.3 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | cis | -169.1 | 167.2 | 11.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 362 | Y | 45.6 | Very low | 40.1 | Very low | 237 Ų | 237 | 139.8 Ų | 139.8 | 93% | 0.929 | 79% | 0.789 | S | S | * | * | trans | -73.6 | 172.8 | -158.1 | -102.7 | -111 | 0 | 0 | 0 | 117.7 | ||||
| 363 | P | 45.4 | Very low | 39.9 | Very low | 113 Ų | 113 | 141.4 Ų | 141.4 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | trans | -105 | 175.1 | -157.9 | 42 | -33.9 | 0 | 0 | 0 | 114.7 | ||||
| 364 | H | 42.6 | Very low | 39.4 | Very low | 162 Ų | 162 | 139 Ų | 139 | 75% | 0.75 | 79% | 0.787 | S | S | * | * | trans | -136.2 | 125.6 | 160.2 | -172.3 | -58.6 | 0 | 0 | 0 | 109.7 | D366 | H364-D366 IonicContact CE1-OD2 3.13Å; H364-D366 PolarHBondContact CE1-OD2 3.38Å; H364-D366 IonicContact ND1-OD2 3.5Å; H364-D366 PolarHBondContact ND1-OD2 2.95Å | ||
| 365 | A | 39.4 | Very low | 39.2 | Very low | 85 Ų | 85 | 140.9 Ų | 140.9 | 70% | 0.702 | 79% | 0.785 | S | S | * | * | trans | -96.1 | 145.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 366 | D | 42.7 | Very low | 39 | Very low | 138 Ų | 138 | 144.1 Ų | 144.1 | 74% | 0.738 | 80% | 0.797 | S | S | * | * | trans | -145.4 | 150.3 | 155.8 | -83.3 | -55.9 | 0 | 0 | 0 | 110.4 | H364 | H364-D366 IonicContact CE1-OD2 3.13Å; H364-D366 PolarHBondContact CE1-OD2 3.38Å; H364-D366 IonicContact ND1-OD2 3.5Å; H364-D366 PolarHBondContact ND1-OD2 2.95Å | ||
| 367 | P | 37.6 | Very low | 38.7 | Very low | 102 Ų | 102 | 142.6 Ų | 142.6 | 66% | 0.662 | 79% | 0.793 | S | S | * | * | trans | -121.8 | 101.9 | -137.6 | 32.5 | -15.3 | 0 | 0 | 0 | 112.5 | ||||
| 368 | W | 36.9 | Very low | 38.6 | Very low | 246 Ų | 246 | 138.1 Ų | 138.1 | 93% | 0.932 | 79% | 0.793 | S | S | * | * | trans | -151.6 | 3.8 | 169.8 | -95.2 | 101.4 | 0 | 0 | 0 | 117.9 | ||||
| 369 | T | 41.8 | Very low | 38.5 | Very low | 132 Ų | 132 | 139.5 Ų | 139.5 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | -147.3 | 85 | -168.2 | 40.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 370 | M | 33.2 | Very low | 38.3 | Very low | 199 Ų | 199 | 136.6 Ų | 136.6 | 98% | 0.98 | 80% | 0.8 | S | S | * | * | trans | 177.8 | 89.3 | 153.4 | -104.5 | 170.5 | 157.1 | 0 | 0 | 112.1 | ||||
| 371 | A | 40.4 | Very low | 38.3 | Very low | 100 Ų | 100 | 130.9 Ų | 130.9 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | trans | -158 | 47.8 | 157.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 372 | N | 41.6 | Very low | 38.8 | Very low | 135 Ų | 135 | 131.6 Ų | 131.6 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | trans | -114 | 45.6 | 160.8 | -150.7 | -8.4 | 0 | 0 | 0 | 110.2 | A374 | N372-A374 VanDerWaalsContact C-N 3.26Å; N372-A374 PolarHBondContact O-N 3.29Å | ||
| 373 | C | 33 | Very low | 39.2 | Very low | 130 Ų | 130 | 126.3 Ų | 126.3 | 88% | 0.878 | 78% | 0.78 | S | S | * | * | trans | -86.8 | 66.7 | 166.8 | -176.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 374 | A | 38.1 | Very low | 39.8 | Very low | 82 Ų | 82 | 123.8 Ų | 123.8 | 68% | 0.678 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -167.7 | 36.8 | 175 | 0 | 0 | 0 | 0 | 0 | 113.9 | N372 | N372-A374 VanDerWaalsContact C-N 3.26Å; N372-A374 PolarHBondContact O-N 3.29Å |
| 375 | Q | 38.4 | Very low | 40.5 | Very low | 168 Ų | 168 | 120 Ų | 120 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | -154 | 42.4 | 171.3 | -132.6 | 135.3 | 31.4 | 0 | 0 | 114.6 | ||||
| 376 | S | 35.7 | Very low | 41.5 | Very low | 135 Ų | 135 | 119.3 Ų | 119.3 | 94% | 0.944 | 75% | 0.749 | S | S | * | * | trans | -99.8 | 68.4 | 166.5 | -60.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 377 | A | 34.7 | Very low | 42.3 | Very low | 74 Ų | 74 | 116.3 Ų | 116.3 | 61% | 0.612 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -152.4 | 111.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 378 | V | 33.6 | Very low | 43.5 | Very low | 152 Ų | 152 | 119.2 Ų | 119.2 | 92% | 0.921 | 73% | 0.734 | S | S | * | * | trans | 56.4 | 77.8 | 152.7 | -59 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 379 | A | 34.2 | Very low | 44.4 | Very low | 103 Ų | 103 | 109.4 Ų | 109.4 | 85% | 0.851 | 70% | 0.7 | S | S | * | * | trans | -134.1 | 133.3 | 161.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 380 | A | 35.1 | Very low | 45.4 | Very low | 95 Ų | 95 | 108.7 Ų | 108.7 | 79% | 0.785 | 70% | 0.698 | S | S | * | * | trans | -55.7 | 162.8 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | A382 | A380-A382 PolarHBondContact O-N 3.34Š| ||
| 381 | A | 37.4 | Very low | 46.7 | Very low | 91 Ų | 91 | 108.7 Ų | 108.7 | 75% | 0.752 | 69% | 0.688 | S | S | * | * | trans | -61.6 | 61.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 382 | A | 47.1 | Very low | 47.9 | Very low | 84 Ų | 84 | 108 Ų | 108 | 69% | 0.694 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 134.2 | 170 | 0 | 0 | 0 | 0 | 0 | 109.8 | A380 | A380-A382 PolarHBondContact O-N 3.34Š|
| 383 | M | 55.4 | Low | 49 | Very low | 127 Ų | 127 | 103.5 Ų | 103.5 | 63% | 0.626 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -59 | 147.7 | 174.5 | -68.9 | -163.5 | 153.4 | 0 | 0 | 111.2 | Y404 | M383-Y404 HydrophobicContact CE-CD2 4.16Š|
| 384 | P | 58.1 | Low | 50.1 | Low | 59 Ų | 59 | 103.3 Ų | 103.3 | 38% | 0.383 | 65% | 0.646 | S | S | . | * | P | Polyproline II helix | trans | -59 | 140.3 | 172.8 | 25.7 | -33.3 | 0 | 0 | 0 | 110 | E403 | P384-E403 HydrophobicContact CG-CG 4.34Š|
| 385 | A | 56.3 | Low | 51.3 | Low | 84 Ų | 84 | 101.1 Ų | 101.1 | 69% | 0.694 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 144.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111 | T387 | A385-T387 PolarHBondContact O-N 2.93Š|
| 386 | P | 59.6 | Low | 52.8 | Low | 69 Ų | 69 | 94.5 Ų | 94.5 | 45% | 0.448 | 60% | 0.595 | S | S | . | * | P | Polyproline II helix | trans | -60.4 | 130 | 179.7 | 24.1 | -32.4 | 0 | 0 | 0 | 110.6 | P395 Y397 | P386-P395 HydrophobicContact CB-CB 4.08Å; P386-Y397 HydrophobicContact CB-CD1 4.01Å; P386-Y397 HydrophobicContact CB-CE1 3.8Å; P386-Y397 HydrophobicContact CG-CE1 4.24Å |
| 387 | T | 60.8 | Low | 54.7 | Low | 76 Ų | 76 | 93.8 Ų | 93.8 | 47% | 0.466 | 57% | 0.572 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -75.9 | 147.2 | 169.4 | 52.9 | 0 | 0 | 0 | 0 | 108.8 | A385 D396 | A385-T387 PolarHBondContact O-N 2.93Å; T387-D396 CarbonylContact O-C 3.6Å; T387-D396 VanDerWaalsContact O-CA 3.29Å; T387-D396 WeakPolarHBondContact O-CA 3.38Å; T387-D396 VanDerWaalsContact O-CB 3.25Å; T387-D396 WeakPolarHBondContact O-CB 3.27Å; T387-D396 PolarHBondContact O-N 3.08Å; T387-D396 PolarHBondContact OG1-O 2.6Å |
| 388 | Y | 62.6 | Low | 56.7 | Low | 162 Ų | 162 | 91.7 Ų | 91.7 | 64% | 0.635 | 55% | 0.553 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -92.1 | 131.6 | 177.9 | -121.1 | -117.6 | 0 | 0 | 0 | 109.9 | P390 G393 P395 | Y388-P390 WeakPolarHBondContact O-CD 3.39Å; Y388-G393 WeakPolarHBondContact CE1-O 3.45Å; Y388-G393 VanDerWaalsContact CZ-O 3.27Å; Y388-G393 PolarHBondContact OH-O 2.86Å; Y388-P395 HydrophobicContact CD2-CB 4.44Å; Y388-P395 HydrophobicContact CE2-CB 4.25Å |
| 389 | N | 56.1 | Low | 58.7 | Low | 40 Ų | 40 | 86.2 Ų | 86.2 | 21% | 0.214 | 52% | 0.523 | C | S | . | . | P | Polyproline II helix | trans | -70.5 | 119.8 | 175.5 | -179.7 | -7.6 | 0 | 0 | 0 | 109.2 | Y391 T392 G393 Q394 D396 | N389-Y391 PolarHBondContact O-N 2.89Å; N389-Y391 VanDerWaalsContact O-N 3.08Å; N389-Y391 WeakPolarHBondContact OD1-CD2 3.23Å; N389-Y391 PolarHBondContact OD1-N 3.14Å; N389-Y391 VanDerWaalsContact OD1-N 3.11Å; N389-T392 WeakPolarHBondContact CB-OG1 3.15Å; N389-T392 PolarHBondContact ND2-OG1 3.34Å; N389-T392 PolarHBondContact O-N 2.92Å; N389-G393 PolarHBondContact O-N 3.18Å; N389-Q394 PolarHBondContact N-O 3.21Å; N389-D396 HydrophobicContact CB-CB 4.07Å |
| 390 | P | 62.8 | Low | 60.6 | Low | 118 Ų | 118 | 82.1 Ų | 82.1 | 77% | 0.766 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -15 | -176 | 25.7 | -34.8 | 0 | 0 | 0 | 114.2 | Y388 | Y388-P390 WeakPolarHBondContact O-CD 3.39Š|
| 391 | Y | 60.5 | Low | 62.3 | Low | 198 Ų | 198 | 83 Ų | 83 | 78% | 0.776 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -29.5 | -178.5 | -61.3 | -77.2 | 0 | 0 | 0 | 114.3 | N389 | N389-Y391 PolarHBondContact O-N 2.89Å; N389-Y391 VanDerWaalsContact O-N 3.08Å; N389-Y391 WeakPolarHBondContact OD1-CD2 3.23Å; N389-Y391 PolarHBondContact OD1-N 3.14Å; N389-Y391 VanDerWaalsContact OD1-N 3.11Å |
| 392 | T | 64.3 | Low | 64.3 | Low | 87 Ų | 87 | 78.8 Ų | 78.8 | 53% | 0.534 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | -13.8 | -174.7 | 54.7 | 0 | 0 | 0 | 0 | 113.2 | N389 Q394 | N389-T392 WeakPolarHBondContact CB-OG1 3.15Å; N389-T392 PolarHBondContact ND2-OG1 3.34Å; N389-T392 PolarHBondContact O-N 2.92Å; T392-Q394 PolarHBondContact O-N 3.27Å; T392-Q394 VanDerWaalsContact O-N 3.16Å; T392-Q394 PolarHBondContact OG1-N 2.84Å |
| 393 | G | 65.3 | Low | 65.7 | Low | 39 Ų | 39 | 77.7 Ų | 77.7 | 40% | 0.402 | 42% | 0.418 | S | S | . | . | trans | 57.8 | 25.2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y388 N389 | Y388-G393 WeakPolarHBondContact CE1-O 3.45Å; Y388-G393 VanDerWaalsContact CZ-O 3.27Å; Y388-G393 PolarHBondContact OH-O 2.86Å; N389-G393 PolarHBondContact O-N 3.18Å | ||
| 394 | Q | 55.4 | Low | 66.8 | Low | 127 Ų | 127 | 75.8 Ų | 75.8 | 59% | 0.593 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -102.2 | 146.6 | 174.8 | -74 | -85.4 | -36 | 0 | 0 | 108.8 | N389 T392 D396 | N389-Q394 PolarHBondContact N-O 3.21Å; T392-Q394 PolarHBondContact O-N 3.27Å; T392-Q394 VanDerWaalsContact O-N 3.16Å; T392-Q394 PolarHBondContact OG1-N 2.84Å; Q394-D396 PolarHBondContact O-N 3.42Å; Q394-D396 VanDerWaalsContact O-N 3.08Å |
| 395 | P | 64 | Low | 67.8 | Low | 35 Ų | 35 | 74.7 Ų | 74.7 | 23% | 0.227 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 115.5 | 171.3 | 23.9 | -31.2 | 0 | 0 | 0 | 109.8 | P386 Y388 Y397 | P386-P395 HydrophobicContact CB-CB 4.08Å; Y388-P395 HydrophobicContact CD2-CB 4.44Å; Y388-P395 HydrophobicContact CE2-CB 4.25Å; P395-Y397 HydrophobicContact CB-CD2 4.47Å; P395-Y397 HydrophobicContact CB-CE1 4.36Å; P395-Y397 HydrophobicContact CB-CE2 3.77Å; P395-Y397 HydrophobicContact CG-CE2 3.68Å; P395-Y397 VanDerWaalsContact O-CD2 3.3Å; P395-Y397 WeakPolarHBondContact O-CD2 3.37Å; P395-Y397 WeakPolarHBondContact O-CE2 3.42Å; P395-Y397 PolarHBondContact O-N 3.4Å |
| 396 | D | 69.6 | Low | 69 | Low | 30 Ų | 30 | 76.1 Ų | 76.1 | 16% | 0.16 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 99.8 | 173.5 | -163.3 | -43.8 | 0 | 0 | 0 | 109 | T387 N389 Q394 S398 | T387-D396 CarbonylContact O-C 3.6Å; T387-D396 VanDerWaalsContact O-CA 3.29Å; T387-D396 WeakPolarHBondContact O-CA 3.38Å; T387-D396 VanDerWaalsContact O-CB 3.25Å; T387-D396 WeakPolarHBondContact O-CB 3.27Å; T387-D396 PolarHBondContact O-N 3.08Å; T387-D396 PolarHBondContact OG1-O 2.6Å; N389-D396 HydrophobicContact CB-CB 4.07Å; Q394-D396 PolarHBondContact O-N 3.42Å; Q394-D396 VanDerWaalsContact O-N 3.08Å; D396-S398 WeakPolarHBondContact OD1-CA 3.42Å; D396-S398 WeakPolarHBondContact OD1-CB 3.29Å; D396-S398 PolarHBondContact OD1-N 2.74Å; D396-S398 PolarHBondContact OD1-OG 2.74Å |
| 397 | Y | 76.1 | Confident | 70.1 | Confident | 119 Ų | 119 | 80.9 Ų | 80.9 | 47% | 0.467 | 39% | 0.39 | S | S | . | . | trans | -82 | -0.8 | 175 | -59.7 | -77.3 | 0 | 0 | 0 | 112.7 | P386 P395 A399 A400 W401 | P386-Y397 HydrophobicContact CB-CD1 4.01Å; P386-Y397 HydrophobicContact CB-CE1 3.8Å; P386-Y397 HydrophobicContact CG-CE1 4.24Å; P395-Y397 HydrophobicContact CB-CD2 4.47Å; P395-Y397 HydrophobicContact CB-CE1 4.36Å; P395-Y397 HydrophobicContact CB-CE2 3.77Å; P395-Y397 HydrophobicContact CG-CE2 3.68Å; P395-Y397 VanDerWaalsContact O-CD2 3.3Å; P395-Y397 WeakPolarHBondContact O-CD2 3.37Å; P395-Y397 WeakPolarHBondContact O-CE2 3.42Å; P395-Y397 PolarHBondContact O-N 3.4Å; Y397-A399 PolarHBondContact O-N 2.93Å; Y397-A400 PolarHBondContact O-N 2.84Å; Y397-W401 PolarHBondContact O-N 2.88Å | ||
| 398 | S | 76.3 | Confident | 70.9 | Confident | 30 Ų | 30 | 82.7 Ų | 82.7 | 21% | 0.21 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.1 | -35.5 | -175.2 | -46.4 | 0 | 0 | 0 | 0 | 111.4 | D396 A402 I417 | D396-S398 WeakPolarHBondContact OD1-CA 3.42Å; D396-S398 WeakPolarHBondContact OD1-CB 3.29Å; D396-S398 PolarHBondContact OD1-N 2.74Å; D396-S398 PolarHBondContact OD1-OG 2.74Å; S398-A402 WeakPolarHBondContact O-CB 3.31Å; S398-A402 PolarHBondContact O-N 2.98Å; S398-I417 VanDerWaalsContact O-CG2 3.24Å; S398-I417 WeakPolarHBondContact O-CG2 3.43Å |
| 399 | A | 75.1 | Confident | 71.3 | Confident | 37 Ų | 37 | 76.3 Ų | 76.3 | 31% | 0.306 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.7 | -42.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y397 A402 E403 | Y397-A399 PolarHBondContact O-N 2.93Å; A399-A402 PolarHBondContact O-N 3.45Å; A399-E403 WeakPolarHBondContact O-CG 3.25Å; A399-E403 PolarHBondContact O-N 3.25Å |
| 400 | A | 74.8 | Confident | 72.2 | Confident | 17 Ų | 17 | 78.6 Ų | 78.6 | 14% | 0.14 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -66.6 | -39.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y397 E403 Y404 | Y397-A400 PolarHBondContact O-N 2.84Å; A400-E403 PolarHBondContact O-N 3.1Å; A400-Y404 WeakPolarHBondContact O-CB 3.44Å; A400-Y404 PolarHBondContact O-N 3.1Å |
| 401 | W | 71.2 | Confident | 73 | Confident | 115 Ų | 115 | 78.4 Ų | 78.4 | 44% | 0.436 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66.9 | -43.3 | 173.6 | -71.1 | 121 | 0 | 0 | 0 | 111.8 | Y397 E403 Y404 Y405 I417 | Y397-W401 PolarHBondContact O-N 2.88Å; W401-E403 VanDerWaalsContact C-N 3.29Å; W401-E403 PolarHBondContact O-N 3.49Å; W401-Y404 HydrophobicContact CE3-CD1 4.29Å; W401-Y404 HydrophobicContact CE3-CG 4.48Å; W401-Y404 HydrophobicContact CZ3-CD1 4.42Å; W401-Y404 WeakPolarHBondContact O-CB 3.36Å; W401-Y404 PolarHBondContact O-N 3.43Å; W401-Y404 VanDerWaalsContact O-N 3.1Å; W401-Y405 HydrophobicContact CB-CD2 4.46Å; W401-Y405 HydrophobicContact CB-CE2 4.46Å; W401-Y405 HydrophobicContact CE3-CE2 4.46Å; W401-Y405 WeakPolarHBondContact O-CD2 3.16Å; W401-Y405 PolarHBondContact O-N 3.41Å; W401-I417 HydrophobicContact CB-CD1 4.13Å; W401-I417 HydrophobicContact CB-CG2 4.32Å |
| 402 | A | 79.9 | Confident | 73.9 | Confident | 1 Ų | 1 | 77.3 Ų | 77.3 | 1% | 0.008 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -59.9 | -40.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | S398 A399 R406 A414 I417 L418 | S398-A402 WeakPolarHBondContact O-CB 3.31Å; S398-A402 PolarHBondContact O-N 2.98Å; A399-A402 PolarHBondContact O-N 3.45Å; A402-R406 WeakPolarHBondContact O-CB 3.17Å; A402-R406 PolarHBondContact O-N 3.09Å; A402-A414 HydrophobicContact CB-CB 4.25Å; A402-A414 VanDerWaalsContact O-CB 3.22Å; A402-A414 WeakPolarHBondContact O-CB 3.36Å; A402-I417 HydrophobicContact CB-CG2 4.45Å; A402-L418 HydrophobicContact CB-CD1 3.93Å; A402-L418 HydrophobicContact CB-CD2 4.25Å; A402-L418 HydrophobicContact CB-CG 3.71Å |
| 403 | E | 76.2 | Confident | 74.6 | Confident | 61 Ų | 61 | 75.4 Ų | 75.4 | 29% | 0.285 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 172.2 | -79.1 | -112.7 | 107.7 | 0 | 0 | 112.7 | P384 A399 A400 W401 R406 R407 | P384-E403 HydrophobicContact CG-CG 4.34Å; A399-E403 WeakPolarHBondContact O-CG 3.25Å; A399-E403 PolarHBondContact O-N 3.25Å; A400-E403 PolarHBondContact O-N 3.1Å; W401-E403 VanDerWaalsContact C-N 3.29Å; W401-E403 PolarHBondContact O-N 3.49Å; E403-R406 PolarHBondContact O-N 3.15Å; E403-R406 IonicContact OE1-NH1 2.74Å; E403-R406 PolarHBondContact OE1-NH1 2.92Å; E403-R407 WeakPolarHBondContact O-CB 3.44Å; E403-R407 WeakPolarHBondContact O-CG 3.46Å; E403-R407 PolarHBondContact O-N 3.27Å |
| 404 | Y | 78.3 | Confident | 75.2 | Confident | 88 Ų | 88 | 73.8 Ų | 73.8 | 35% | 0.345 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.5 | -50.8 | 175.4 | 176.2 | -94.9 | 0 | 0 | 0 | 111.3 | M383 A400 W401 R406 R407 Q408 | M383-Y404 HydrophobicContact CE-CD2 4.16Å; A400-Y404 WeakPolarHBondContact O-CB 3.44Å; A400-Y404 PolarHBondContact O-N 3.1Å; W401-Y404 HydrophobicContact CE3-CD1 4.29Å; W401-Y404 HydrophobicContact CE3-CG 4.48Å; W401-Y404 HydrophobicContact CZ3-CD1 4.42Å; W401-Y404 WeakPolarHBondContact O-CB 3.36Å; W401-Y404 PolarHBondContact O-N 3.43Å; W401-Y404 VanDerWaalsContact O-N 3.1Å; Y404-R406 VanDerWaalsContact C-N 3.31Å; Y404-R406 PolarHBondContact O-N 3.37Å; Y404-R407 WeakPolarHBondContact O-CB 3.25Å; Y404-R407 PolarHBondContact O-N 3.49Å; Y404-R407 VanDerWaalsContact O-N 3.13Å; Y404-Q408 HydrophobicContact CD1-CG 4.22Å; Y404-Q408 HydrophobicContact CE1-CG 3.82Å; Y404-Q408 HydrophobicContact CE2-CG 4.22Å; Y404-Q408 VanDerWaalsContact O-CG 3.3Å; Y404-Q408 WeakPolarHBondContact O-CG 3.44Å; Y404-Q408 PolarHBondContact O-N 3.26Å; Y404-Q408 PolarHBondContact OH-NE2 3.38Å |
| 405 | Y | 79 | Confident | 76.5 | Confident | 35 Ų | 35 | 72.7 Ų | 72.7 | 14% | 0.137 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -66 | -34.6 | 177.9 | -75.3 | -68 | 0 | 0 | 0 | 112.2 | W401 R407 Q408 G409 M410 C413 I417 | W401-Y405 HydrophobicContact CB-CD2 4.46Å; W401-Y405 HydrophobicContact CB-CE2 4.46Å; W401-Y405 HydrophobicContact CE3-CE2 4.46Å; W401-Y405 WeakPolarHBondContact O-CD2 3.16Å; W401-Y405 PolarHBondContact O-N 3.41Å; Y405-R407 VanDerWaalsContact C-N 3.34Å; Y405-Q408 CarbonylContact O-C 3.25Å; Y405-Q408 PolarHBondContact O-N 2.9Å; Y405-G409 PolarHBondContact O-N 3.22Å; Y405-G409 VanDerWaalsContact O-N 3.13Å; Y405-M410 HydrophobicContact CD1-CB 3.91Å; Y405-M410 HydrophobicContact CD1-CE 3.9Å; Y405-M410 HydrophobicContact CD1-SD 3.87Å; Y405-M410 HydrophobicContact CE1-CE 3.79Å; Y405-M410 HydrophobicContact CE1-SD 4.11Å; Y405-M410 CarbonylContact O-C 3.58Å; Y405-M410 PolarHBondContact O-N 3.18Å; Y405-C413 HydrophobicContact CD1-CB 3.95Å; Y405-C413 HydrophobicContact CE1-CB 4.37Å; Y405-C413 HydrophobicContact CG-CB 4.03Å; Y405-I417 HydrophobicContact CD2-CD1 3.25Å; Y405-I417 HydrophobicContact CE2-CD1 3.27Å; Y405-I417 HydrophobicContact CG-CD1 4.37Å |
| 406 | R | 81.7 | Confident | 77.3 | Confident | 114 Ų | 114 | 73.6 Ų | 73.6 | 43% | 0.43 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.3 | -37.6 | 172.4 | -163.3 | -170.9 | -60.4 | 160.7 | -3.7 | 111.6 | A402 E403 Y404 G409 A414 | A402-R406 WeakPolarHBondContact O-CB 3.17Å; A402-R406 PolarHBondContact O-N 3.09Å; E403-R406 PolarHBondContact O-N 3.15Å; E403-R406 IonicContact OE1-NH1 2.74Å; E403-R406 PolarHBondContact OE1-NH1 2.92Å; Y404-R406 VanDerWaalsContact C-N 3.31Å; Y404-R406 PolarHBondContact O-N 3.37Å; R406-G409 PolarHBondContact O-N 2.88Å; R406-A414 HydrophobicContact CB-CB 4.32Å |
| 407 | R | 82.5 | Confident | 77.4 | Confident | 170 Ų | 170 | 73.7 Ų | 73.7 | 64% | 0.642 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -70 | -31.9 | 172.9 | -77.9 | -173.9 | -165.3 | -136.5 | 4.4 | 113.1 | E403 Y404 Y405 G409 | E403-R407 WeakPolarHBondContact O-CB 3.44Å; E403-R407 WeakPolarHBondContact O-CG 3.46Å; E403-R407 PolarHBondContact O-N 3.27Å; Y404-R407 WeakPolarHBondContact O-CB 3.25Å; Y404-R407 PolarHBondContact O-N 3.49Å; Y404-R407 VanDerWaalsContact O-N 3.13Å; Y405-R407 VanDerWaalsContact C-N 3.34Å; R407-G409 PolarHBondContact O-N 2.9Å |
| 408 | Q | 76.7 | Confident | 77.3 | Confident | 114 Ų | 114 | 70.4 Ų | 70.4 | 53% | 0.533 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 2.5 | 176.9 | -64.8 | -68.2 | -6.6 | 0 | 0 | 113.1 | Y404 Y405 M410 | Y404-Q408 HydrophobicContact CD1-CG 4.22Å; Y404-Q408 HydrophobicContact CE1-CG 3.82Å; Y404-Q408 HydrophobicContact CE2-CG 4.22Å; Y404-Q408 VanDerWaalsContact O-CG 3.3Å; Y404-Q408 WeakPolarHBondContact O-CG 3.44Å; Y404-Q408 PolarHBondContact O-N 3.26Å; Y404-Q408 PolarHBondContact OH-NE2 3.38Å; Y405-Q408 CarbonylContact O-C 3.25Å; Y405-Q408 PolarHBondContact O-N 2.9Å; Q408-M410 PolarHBondContact O-N 3.49Å |
| 409 | G | 72.7 | Confident | 77.5 | Confident | 28 Ų | 28 | 76.5 Ų | 76.5 | 29% | 0.289 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | 3.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115 | Y405 R406 R407 H411 | Y405-G409 PolarHBondContact O-N 3.22Å; Y405-G409 VanDerWaalsContact O-N 3.13Å; R406-G409 PolarHBondContact O-N 2.88Å; R407-G409 PolarHBondContact O-N 2.9Å; G409-H411 VanDerWaalsContact C-N 3.28Å; G409-H411 PolarHBondContact O-CD2 3.06Å; G409-H411 PolarHBondContact O-N 3.33Å; G409-H411 VanDerWaalsContact O-N 3.1Å |
| 410 | M | 74 | Confident | 77.2 | Confident | 87 Ų | 87 | 81.6 Ų | 81.6 | 43% | 0.429 | 38% | 0.384 | S | S | . | . | trans | -87 | 64.7 | 175.9 | -71.2 | 168.1 | 71.4 | 0 | 0 | 110.4 | Y405 Q408 E412 C413 A414 | Y405-M410 HydrophobicContact CD1-CB 3.91Å; Y405-M410 HydrophobicContact CD1-CE 3.9Å; Y405-M410 HydrophobicContact CD1-SD 3.87Å; Y405-M410 HydrophobicContact CE1-CE 3.79Å; Y405-M410 HydrophobicContact CE1-SD 4.11Å; Y405-M410 CarbonylContact O-C 3.58Å; Y405-M410 PolarHBondContact O-N 3.18Å; Q408-M410 PolarHBondContact O-N 3.49Å; M410-E412 VanDerWaalsContact C-N 3.28Å; M410-E412 PolarHBondContact O-N 3.48Å; M410-C413 HydrophobicContact CB-CB 4.09Å; M410-C413 HydrophobicContact CE-CB 4.16Å; M410-C413 WeakPolarHBondContact CE-SG 3.19Å; M410-C413 PolarHBondContact O-N 2.99Å; M410-A414 PolarHBondContact O-N 2.84Å | ||
| 411 | H | 79.8 | Confident | 76.7 | Confident | 115 Ų | 115 | 82.8 Ų | 82.8 | 53% | 0.532 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -59.6 | -36.9 | -178.7 | -66.3 | -85.3 | 0 | 0 | 0 | 112.7 | G409 C413 A414 D415 | G409-H411 VanDerWaalsContact C-N 3.28Å; G409-H411 PolarHBondContact O-CD2 3.06Å; G409-H411 PolarHBondContact O-N 3.33Å; G409-H411 VanDerWaalsContact O-N 3.1Å; H411-C413 PolarHBondContact O-N 3.41Å; H411-A414 WeakPolarHBondContact O-CB 3.49Å; H411-A414 PolarHBondContact O-N 3Å; H411-D415 WeakPolarHBondContact O-CB 3.2Å; H411-D415 PolarHBondContact O-N 3.28Å |
| 412 | E | 79.5 | Confident | 76.4 | Confident | 174 Ų | 174 | 84.9 Ų | 84.9 | 81% | 0.813 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -64.4 | -39.7 | 176.9 | -68.9 | -168.8 | 107.8 | 0 | 0 | 112.4 | M410 D415 A416 | M410-E412 VanDerWaalsContact C-N 3.28Å; M410-E412 PolarHBondContact O-N 3.48Å; E412-D415 PolarHBondContact O-N 3.46Å; E412-A416 VanDerWaalsContact O-CB 3.25Å; E412-A416 WeakPolarHBondContact O-CB 3.27Å; E412-A416 PolarHBondContact O-N 3.19Å |
| 413 | C | 78.1 | Confident | 75.1 | Confident | 48 Ų | 48 | 90.3 Ų | 90.3 | 32% | 0.324 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -69.8 | -38.3 | 175.5 | -60.1 | 0 | 0 | 0 | 0 | 111.3 | Y405 M410 H411 D415 A416 I417 | Y405-C413 HydrophobicContact CD1-CB 3.95Å; Y405-C413 HydrophobicContact CE1-CB 4.37Å; Y405-C413 HydrophobicContact CG-CB 4.03Å; M410-C413 HydrophobicContact CB-CB 4.09Å; M410-C413 HydrophobicContact CE-CB 4.16Å; M410-C413 WeakPolarHBondContact CE-SG 3.19Å; M410-C413 PolarHBondContact O-N 2.99Å; H411-C413 PolarHBondContact O-N 3.41Å; C413-D415 VanDerWaalsContact C-N 3.34Å; C413-A416 PolarHBondContact O-N 3.44Å; C413-I417 WeakPolarHBondContact O-CB 3.2Å; C413-I417 WeakPolarHBondContact O-CD1 3.37Å; C413-I417 WeakPolarHBondContact O-CG1 3.49Å; C413-I417 PolarHBondContact O-N 3.34Å |
| 414 | A | 78.7 | Confident | 73.9 | Confident | 4 Ų | 4 | 91.9 Ų | 91.9 | 3% | 0.033 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -61.5 | -42.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | A402 R406 M410 H411 I417 L418 | A402-A414 HydrophobicContact CB-CB 4.25Å; A402-A414 VanDerWaalsContact O-CB 3.22Å; A402-A414 WeakPolarHBondContact O-CB 3.36Å; R406-A414 HydrophobicContact CB-CB 4.32Å; M410-A414 PolarHBondContact O-N 2.84Å; H411-A414 WeakPolarHBondContact O-CB 3.49Å; H411-A414 PolarHBondContact O-N 3Å; A414-I417 PolarHBondContact O-N 3.1Å; A414-L418 PolarHBondContact O-N 3.35Å |
| 415 | D | 82.1 | Confident | 72.2 | Confident | 105 Ų | 105 | 93.1 Ų | 93.1 | 56% | 0.561 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -70.2 | -42 | 178.5 | -158.4 | -90.8 | 0 | 0 | 0 | 111.2 | H411 E412 C413 I417 L418 R419 | H411-D415 WeakPolarHBondContact O-CB 3.2Å; H411-D415 PolarHBondContact O-N 3.28Å; E412-D415 PolarHBondContact O-N 3.46Å; C413-D415 VanDerWaalsContact C-N 3.34Å; D415-I417 VanDerWaalsContact C-N 3.29Å; D415-I417 PolarHBondContact O-N 2.85Å; D415-L418 PolarHBondContact O-N 3.49Å; D415-R419 VanDerWaalsContact O-CB 3.27Å; D415-R419 WeakPolarHBondContact O-CB 3.22Å; D415-R419 PolarHBondContact O-N 3.41Å |
| 416 | A | 80.4 | Confident | 70.3 | Confident | 54 Ų | 54 | 98.4 Ų | 98.4 | 45% | 0.446 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.6 | -40.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E412 C413 R419 Q420 | E412-A416 VanDerWaalsContact O-CB 3.25Å; E412-A416 WeakPolarHBondContact O-CB 3.27Å; E412-A416 PolarHBondContact O-N 3.19Å; C413-A416 PolarHBondContact O-N 3.44Å; A416-R419 PolarHBondContact O-N 3.5Å; A416-Q420 VanDerWaalsContact O-CB 3.31Å; A416-Q420 WeakPolarHBondContact O-CB 3.46Å; A416-Q420 PolarHBondContact O-N 2.84Å |
| 417 | I | 71.6 | Confident | 67.9 | Low | 32 Ų | 32 | 96.9 Ų | 96.9 | 16% | 0.164 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -66.7 | -43.4 | 176.7 | -71.8 | 164.5 | 0 | 0 | 0 | 111 | S398 W401 A402 Y405 C413 A414 D415 R419 Q420 A421 | S398-I417 VanDerWaalsContact O-CG2 3.24Å; S398-I417 WeakPolarHBondContact O-CG2 3.43Å; W401-I417 HydrophobicContact CB-CD1 4.13Å; W401-I417 HydrophobicContact CB-CG2 4.32Å; A402-I417 HydrophobicContact CB-CG2 4.45Å; Y405-I417 HydrophobicContact CD2-CD1 3.25Å; Y405-I417 HydrophobicContact CE2-CD1 3.27Å; Y405-I417 HydrophobicContact CG-CD1 4.37Å; C413-I417 WeakPolarHBondContact O-CB 3.2Å; C413-I417 WeakPolarHBondContact O-CD1 3.37Å; C413-I417 WeakPolarHBondContact O-CG1 3.49Å; C413-I417 PolarHBondContact O-N 3.34Å; A414-I417 PolarHBondContact O-N 3.1Å; D415-I417 VanDerWaalsContact C-N 3.29Å; D415-I417 PolarHBondContact O-N 2.85Å; I417-R419 VanDerWaalsContact C-N 3.35Å; I417-Q420 PolarHBondContact O-N 2.88Å; I417-A421 WeakPolarHBondContact O-CB 3.27Å; I417-A421 PolarHBondContact O-N 3.39Å |
| 418 | L | 74.9 | Confident | 65.4 | Low | 50 Ų | 50 | 93.5 Ų | 93.5 | 26% | 0.262 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.9 | -39 | 175.3 | -78.5 | 167.7 | 0 | 0 | 0 | 112 | A402 A414 D415 Q420 A421 Q422 | A402-L418 HydrophobicContact CB-CD1 3.93Å; A402-L418 HydrophobicContact CB-CD2 4.25Å; A402-L418 HydrophobicContact CB-CG 3.71Å; A414-L418 PolarHBondContact O-N 3.35Å; D415-L418 PolarHBondContact O-N 3.49Å; L418-Q420 VanDerWaalsContact C-N 3.31Å; L418-Q420 PolarHBondContact O-N 3.11Å; L418-A421 PolarHBondContact O-N 3.49Å; L418-Q422 WeakPolarHBondContact O-CB 3.39Å; L418-Q422 WeakPolarHBondContact O-CG 3.46Å; L418-Q422 PolarHBondContact O-N 3.44Å |
| 419 | R | 80.2 | Confident | 63.3 | Low | 158 Ų | 158 | 94.8 Ų | 94.8 | 60% | 0.596 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66 | -37.4 | 177.6 | -155.7 | -173 | 95.8 | 145.3 | 5.9 | 111.2 | D415 A416 I417 Q423 | D415-R419 VanDerWaalsContact O-CB 3.27Å; D415-R419 WeakPolarHBondContact O-CB 3.22Å; D415-R419 PolarHBondContact O-N 3.41Å; A416-R419 PolarHBondContact O-N 3.5Å; I417-R419 VanDerWaalsContact C-N 3.35Å; R419-Q423 WeakPolarHBondContact O-CG 3.4Å; R419-Q423 PolarHBondContact O-N 3.48Å; R419-Q423 VanDerWaalsContact O-N 3.17Å |
| 420 | Q | 68.3 | Low | 61.4 | Low | 143 Ų | 143 | 103 Ų | 103 | 67% | 0.668 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -71.1 | -36.7 | 174.7 | -165.7 | 170.6 | 28.5 | 0 | 0 | 111.6 | A416 I417 L418 Q422 Q423 | A416-Q420 VanDerWaalsContact O-CB 3.31Å; A416-Q420 WeakPolarHBondContact O-CB 3.46Å; A416-Q420 PolarHBondContact O-N 2.84Å; I417-Q420 PolarHBondContact O-N 2.88Å; L418-Q420 VanDerWaalsContact C-N 3.31Å; L418-Q420 PolarHBondContact O-N 3.11Å; Q420-Q422 VanDerWaalsContact C-N 3.32Å; Q420-Q422 PolarHBondContact O-N 3.15Å; Q420-Q423 PolarHBondContact O-N 3.02Å |
| 421 | A | 65.8 | Low | 59.4 | Low | 43 Ų | 43 | 107.2 Ų | 107.2 | 36% | 0.355 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -69.5 | -28.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | I417 L418 | I417-A421 WeakPolarHBondContact O-CB 3.27Å; I417-A421 PolarHBondContact O-N 3.39Å; L418-A421 PolarHBondContact O-N 3.49Å |
| 422 | Q | 63.3 | Low | 57.3 | Low | 158 Ų | 158 | 108.5 Ų | 108.5 | 74% | 0.738 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -86.7 | -11.7 | 175.9 | -74.6 | 179 | 13.3 | 0 | 0 | 113.9 | L418 Q420 P424 | L418-Q422 WeakPolarHBondContact O-CB 3.39Å; L418-Q422 WeakPolarHBondContact O-CG 3.46Å; L418-Q422 PolarHBondContact O-N 3.44Å; Q420-Q422 VanDerWaalsContact C-N 3.32Å; Q420-Q422 PolarHBondContact O-N 3.15Å; Q422-P424 VanDerWaalsContact O-CD 3.22Å; Q422-P424 WeakPolarHBondContact O-CD 3.47Å |
| 423 | Q | 54.2 | Low | 55 | Low | 116 Ų | 116 | 104.7 Ų | 104.7 | 54% | 0.542 | 61% | 0.606 | S | S | . | * | S | Bend | trans | -80.8 | 115.4 | 174.7 | -84 | -171.6 | -6 | 0 | 0 | 110.3 | R419 Q420 S425 | R419-Q423 WeakPolarHBondContact O-CG 3.4Å; R419-Q423 PolarHBondContact O-N 3.48Å; R419-Q423 VanDerWaalsContact O-N 3.17Å; Q420-Q423 PolarHBondContact O-N 3.02Å; Q423-S425 PolarHBondContact O-N 3.27Å; Q423-S425 VanDerWaalsContact O-N 3.15Å |
| 424 | P | 50.5 | Low | 53.1 | Low | 93 Ų | 93 | 108 Ų | 108 | 60% | 0.604 | 63% | 0.627 | S | S | * | * | trans | -62.7 | 120.7 | 167 | 25.9 | -30.6 | 0 | 0 | 0 | 107.8 | Q422 V426 | Q422-P424 VanDerWaalsContact O-CD 3.22Å; Q422-P424 WeakPolarHBondContact O-CD 3.47Å; P424-V426 VanDerWaalsContact C-N 3.31Å; P424-V426 PolarHBondContact O-N 3.2Å | ||
| 425 | S | 42.9 | Very low | 51.2 | Low | 115 Ų | 115 | 114.5 Ų | 114.5 | 80% | 0.804 | 67% | 0.666 | S | S | * | * | trans | -59.4 | 91.5 | 173.7 | 38 | 0 | 0 | 0 | 0 | 110.1 | Q423 A427 | Q423-S425 PolarHBondContact O-N 3.27Å; Q423-S425 VanDerWaalsContact O-N 3.15Å; S425-A427 PolarHBondContact O-N 3.25Å; S425-A427 VanDerWaalsContact O-N 3.09Å | ||
| 426 | V | 38.2 | Very low | 49.3 | Very low | 145 Ų | 145 | 114.8 Ų | 114.8 | 88% | 0.879 | 67% | 0.674 | S | S | * | * | trans | -80.9 | 61 | 165 | -70 | 0 | 0 | 0 | 0 | 109.2 | P424 | P424-V426 VanDerWaalsContact C-N 3.31Å; P424-V426 PolarHBondContact O-N 3.2Å | ||
| 427 | A | 31.9 | Very low | 47.2 | Very low | 83 Ų | 83 | 119.3 Ų | 119.3 | 69% | 0.686 | 70% | 0.696 | S | S | * | * | trans | -147 | 123.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | S425 | S425-A427 PolarHBondContact O-N 3.25Å; S425-A427 VanDerWaalsContact O-N 3.09Å | ||
| 428 | A | 30.4 | Very low | 45.5 | Very low | 99 Ų | 99 | 120.6 Ų | 120.6 | 82% | 0.818 | 72% | 0.718 | S | S | * | * | S | Bend | trans | 84.6 | 65.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||
| 429 | V | 32.7 | Very low | 43.8 | Very low | 140 Ų | 140 | 126.2 Ų | 126.2 | 85% | 0.848 | 74% | 0.742 | S | S | * | * | trans | -152.6 | 95.5 | 136 | 178.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 430 | Q | 31.2 | Very low | 41.9 | Very low | 200 Ų | 200 | 124.5 Ų | 124.5 | 94% | 0.935 | 75% | 0.749 | S | S | * | * | trans | -146.6 | 81.9 | 150.9 | -114 | 173.8 | 4.2 | 0 | 0 | 107.8 | ||||
| 431 | Q | 32.4 | Very low | 40.3 | Very low | 176 Ų | 176 | 125.9 Ų | 125.9 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | trans | -82 | 125.1 | 156.6 | -70.6 | 174.9 | -3.6 | 0 | 0 | 107 | ||||
| 432 | T | 36.1 | Very low | 38.9 | Very low | 143 Ų | 143 | 128.3 Ų | 128.3 | 88% | 0.877 | 78% | 0.775 | S | S | * | * | trans | 173 | 122.1 | 134.6 | 32.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 433 | A | 30.2 | Very low | 37.6 | Very low | 93 Ų | 93 | 124.7 Ų | 124.7 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | -64.7 | 165.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 434 | P | 39.3 | Very low | 36.9 | Very low | 117 Ų | 117 | 127.7 Ų | 127.7 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | -150.6 | 141.7 | 78.4 | 34.8 | -13.5 | 0 | 0 | 0 | 117.2 | |||||
| 435 | V | 39.6 | Very low | 36.3 | Very low | 141 Ų | 141 | 128.9 Ų | 128.9 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | trans | 48.4 | 149.6 | 145.9 | -70 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 436 | P | 40.3 | Very low | 36 | Very low | 112 Ų | 112 | 127.2 Ų | 127.2 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -117.7 | 168.1 | -145.6 | 41.1 | -28.4 | 0 | 0 | 0 | 115.1 | ||||
| 437 | T | 37.2 | Very low | 36.3 | Very low | 148 Ų | 148 | 127 Ų | 127 | 91% | 0.908 | 80% | 0.797 | S | S | * | * | trans | -156.4 | 121.4 | 152.9 | -36 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 438 | G | 35.8 | Very low | 36.9 | Very low | 60 Ų | 60 | 128.7 Ų | 128.7 | 62% | 0.619 | 80% | 0.802 | S | S | * | * | trans | 80.2 | 136.3 | 160.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 439 | H | 38.9 | Very low | 37.2 | Very low | 168 Ų | 168 | 128.8 Ų | 128.8 | 78% | 0.778 | 80% | 0.802 | S | S | * | * | cis | 176.2 | 139.7 | 15.9 | 44.3 | -66.9 | 0 | 0 | 0 | 107.2 | ||||
| 440 | V | 40.8 | Very low | 37.3 | Very low | 122 Ų | 122 | 127 Ų | 127 | 74% | 0.739 | 80% | 0.802 | S | S | * | * | trans | 55.2 | 138.6 | 157.3 | -78.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 441 | Q | 34.1 | Very low | 37.4 | Very low | 171 Ų | 171 | 122 Ų | 122 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | cis | -176.4 | 138.6 | 4.4 | 171.4 | 163 | -7.6 | 0 | 0 | 110.4 | ||||
| 442 | A | 36 | Very low | 37.8 | Very low | 94 Ų | 94 | 118.9 Ų | 118.9 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | trans | 45.4 | 137.7 | 149.9 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 443 | A | 37 | Very low | 37.7 | Very low | 82 Ų | 82 | 117.1 Ų | 117.1 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | cis | -167 | 146.4 | 33.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 444 | Q | 39.3 | Very low | 37.9 | Very low | 179 Ų | 179 | 121.8 Ų | 121.8 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | trans | 57.6 | 109.8 | 140.7 | -63.1 | 168.3 | 22.5 | 0 | 0 | 119.6 | ||||
| 445 | S | 37.9 | Very low | 37.5 | Very low | 119 Ų | 119 | 122.8 Ų | 122.8 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | 80 | 112.5 | 55.6 | 75.7 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 446 | G | 37.8 | Very low | 37.2 | Very low | 80 Ų | 80 | 122 Ų | 122 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | trans | 165.4 | 105.7 | 164 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 447 | T | 44 | Very low | 36.8 | Very low | 140 Ų | 140 | 122.5 Ų | 122.5 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | trans | -101.6 | -168.1 | -178 | 54.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 448 | P | 44.4 | Very low | 36.6 | Very low | 119 Ų | 119 | 124.2 Ų | 124.2 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | -118.7 | 174.3 | -112.4 | 28.8 | -4.7 | 0 | 0 | 0 | 113.7 | |||||
| 449 | A | 36.2 | Very low | 36.4 | Very low | 100 Ų | 100 | 125.8 Ų | 125.8 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | trans | 165.9 | 148 | 141.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 450 | A | 36.1 | Very low | 35.9 | Very low | 103 Ų | 103 | 127 Ų | 127 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | trans | 87.1 | 127.9 | 154.3 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 451 | A | 32.2 | Very low | 35.9 | Very low | 95 Ų | 95 | 126.8 Ų | 126.8 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | -58.3 | -174.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 452 | P | 39.9 | Very low | 35.9 | Very low | 110 Ų | 110 | 125 Ų | 125 | 71% | 0.714 | 81% | 0.805 | S | S | * | * | cis | -142 | -176.1 | 9.5 | 38.9 | -16.2 | 0 | 0 | 0 | 115.8 | ||||
| 453 | S | 34.7 | Very low | 35.8 | Very low | 107 Ų | 107 | 124.7 Ų | 124.7 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | 18.1 | 114.7 | 146.5 | -50.8 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 454 | Q | 33.8 | Very low | 35.7 | Very low | 190 Ų | 190 | 127.8 Ų | 127.8 | 89% | 0.888 | 81% | 0.813 | S | S | * | * | 179.2 | 140.3 | 125.6 | -98.4 | -179.9 | 14.2 | 0 | 0 | 111.2 | |||||
| 455 | V | 31 | Very low | 35.6 | Very low | 139 Ų | 139 | 123 Ų | 123 | 84% | 0.842 | 81% | 0.811 | S | S | * | * | trans | -55.9 | 142.9 | 166.5 | -83.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 456 | P | 34.4 | Very low | 35.6 | Very low | 125 Ų | 125 | 126.6 Ų | 126.6 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | trans | -131.1 | 140.3 | 137.8 | 25.7 | -8.4 | 0 | 0 | 0 | 113.7 | ||||
| 457 | V | 32.3 | Very low | 35.8 | Very low | 121 Ų | 121 | 133.5 Ų | 133.5 | 73% | 0.733 | 82% | 0.817 | S | S | * | * | trans | -69 | 163.6 | 165.3 | 156 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 458 | Q | 31.3 | Very low | 36.5 | Very low | 184 Ų | 184 | 131.5 Ų | 131.5 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | 79.9 | 114.1 | 163.9 | -82.1 | 159.6 | -9.7 | 0 | 0 | 118.5 | ||||
| 459 | A | 33.4 | Very low | 37.1 | Very low | 93 Ų | 93 | 133.5 Ų | 133.5 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | 170.5 | 130.2 | 101.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | P461 | A459-P461 WeakPolarHBondContact O-CD 3.41Š| |||
| 460 | Q | 26.8 | Very low | 38.9 | Very low | 195 Ų | 195 | 131.6 Ų | 131.6 | 91% | 0.911 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 125.1 | 174.3 | -175.3 | 178.8 | -10.4 | 0 | 0 | 109.2 | ||
| 461 | P | 40.6 | Very low | 40.1 | Very low | 117 Ų | 117 | 133.6 Ų | 133.6 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -101 | 133.1 | 166 | 2 | 19.4 | 0 | 0 | 0 | 111 | A459 | A459-P461 WeakPolarHBondContact O-CD 3.41Š|
| 462 | T | 35.9 | Very low | 41.9 | Very low | 134 Ų | 134 | 134.2 Ų | 134.2 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 140.4 | 170.9 | 39.3 | 0 | 0 | 0 | 0 | 115.1 | ||
| 463 | A | 32.8 | Very low | 43.6 | Very low | 86 Ų | 86 | 133.3 Ų | 133.3 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | S | Bend | trans | 50.7 | 127 | 144.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||
| 464 | T | 35.1 | Very low | 45.5 | Very low | 148 Ų | 148 | 135.1 Ų | 135.1 | 91% | 0.908 | 74% | 0.736 | S | S | * | * | trans | 73.3 | 112 | 155.9 | 55.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 465 | G | 37.1 | Very low | 47.4 | Very low | 77 Ų | 77 | 132.4 Ų | 132.4 | 79% | 0.794 | 72% | 0.717 | S | S | * | * | S | Bend | trans | 107.9 | 120.2 | 150.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 466 | Q | 38 | Very low | 49.7 | Very low | 196 Ų | 196 | 128.8 Ų | 128.8 | 92% | 0.916 | 69% | 0.691 | S | S | * | * | trans | 73.1 | 84 | 156.4 | -133.2 | 163.2 | -6 | 0 | 0 | 115.7 | D468 | Q466-D468 PolarHBondContact O-N 3.01Š| ||
| 467 | Y | 40.8 | Very low | 51.7 | Low | 225 Ų | 225 | 128.8 Ų | 128.8 | 88% | 0.882 | 68% | 0.681 | S | S | * | * | trans | -64 | 121.6 | 162.5 | -76.4 | -86.7 | 0 | 0 | 0 | 109.2 | Y469 | Y467-Y469 PolarHBondContact O-N 2.85Š| ||
| 468 | D | 59 | Low | 53.8 | Low | 98 Ų | 98 | 129.3 Ų | 129.3 | 52% | 0.524 | 67% | 0.669 | S | S | . | * | trans | -66.4 | 97 | 170.6 | -171.5 | 64.1 | 0 | 0 | 0 | 108.9 | Q466 A470 Q471 W472 | Q466-D468 PolarHBondContact O-N 3.01Å; D468-A470 PolarHBondContact O-N 3.45Å; D468-Q471 HydrophobicContact CB-CB 4.2Å; D468-Q471 PolarHBondContact O-N 3.46Å; D468-Q471 WeakPolarHBondContact OD2-CB 3.22Å; D468-Q471 PolarHBondContact OD2-N 2.71Å; D468-W472 PolarHBondContact O-N 2.99Å | ||
| 469 | Y | 58.7 | Low | 56.1 | Low | 160 Ų | 160 | 125 Ų | 125 | 63% | 0.627 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -60 | -26.8 | -177 | -147.7 | -93.5 | 0 | 0 | 0 | 111.5 | Y467 Q473 | Y467-Y469 PolarHBondContact O-N 2.85Å; Y469-Q473 HydrophobicContact CD1-CG 4.39Å; Y469-Q473 WeakPolarHBondContact O-CG 3.37Å; Y469-Q473 PolarHBondContact O-N 3Å |
| 470 | A | 72.2 | Confident | 58 | Low | 60 Ų | 60 | 123.2 Ų | 123.2 | 50% | 0.496 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -69.9 | -45.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | D468 W472 Q473 Q474 | D468-A470 PolarHBondContact O-N 3.45Å; A470-W472 VanDerWaalsContact C-N 3.32Å; A470-W472 PolarHBondContact O-N 3.28Å; A470-Q473 PolarHBondContact O-N 3.48Å; A470-Q474 PolarHBondContact O-N 3.28Å |
| 471 | Q | 62.6 | Low | 60.4 | Low | 146 Ų | 146 | 120.1 Ų | 120.1 | 68% | 0.682 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.8 | -37.2 | 176.8 | -161.6 | 177.5 | 85.2 | 0 | 0 | 111.7 | D468 Q474 W475 | D468-Q471 HydrophobicContact CB-CB 4.2Å; D468-Q471 PolarHBondContact O-N 3.46Å; D468-Q471 WeakPolarHBondContact OD2-CB 3.22Å; D468-Q471 PolarHBondContact OD2-N 2.71Å; Q471-Q474 PolarHBondContact O-N 2.99Å; Q471-W475 WeakPolarHBondContact O-CB 3.39Å; Q471-W475 PolarHBondContact O-N 3.48Å |
| 472 | W | 69.3 | Low | 62.1 | Low | 107 Ų | 107 | 118.5 Ų | 118.5 | 41% | 0.405 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65.7 | -41.5 | 174.1 | -174.5 | 88 | 0 | 0 | 0 | 112.6 | D468 A470 Q474 W475 Q476 | D468-W472 PolarHBondContact O-N 2.99Å; A470-W472 VanDerWaalsContact C-N 3.32Å; A470-W472 PolarHBondContact O-N 3.28Å; W472-Q474 VanDerWaalsContact C-N 3.34Å; W472-Q474 PolarHBondContact O-N 3.13Å; W472-W475 PolarHBondContact O-N 2.75Å; W472-Q476 HydrophobicContact CD2-CG 4.36Å; W472-Q476 HydrophobicContact CE3-CG 4.3Å; W472-Q476 VanDerWaalsContact CH2-CD 3.47Å; W472-Q476 HydrophobicContact CH2-CG 4.3Å; W472-Q476 HydrophobicContact CZ2-CG 4.28Å; W472-Q476 HydrophobicContact CZ3-CG 4.26Å; W472-Q476 PolarHBondContact O-N 3.21Å |
| 473 | Q | 75.9 | Confident | 63.7 | Low | 92 Ų | 92 | 114.6 Ų | 114.6 | 43% | 0.43 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.2 | -40.3 | 172.7 | -83.2 | -164.8 | 23.6 | 0 | 0 | 112.4 | Y469 A470 W475 Q476 Q477 | Y469-Q473 HydrophobicContact CD1-CG 4.39Å; Y469-Q473 WeakPolarHBondContact O-CG 3.37Å; Y469-Q473 PolarHBondContact O-N 3Å; A470-Q473 PolarHBondContact O-N 3.48Å; Q473-W475 VanDerWaalsContact C-N 3.33Å; Q473-Q476 PolarHBondContact O-N 3.08Å; Q473-Q477 WeakPolarHBondContact O-CG 3.47Å; Q473-Q477 PolarHBondContact O-N 2.8Å; Q473-Q477 PolarHBondContact O-NE2 3.22Å |
| 474 | Q | 73.8 | Confident | 65.8 | Low | 145 Ų | 145 | 117.3 Ų | 117.3 | 68% | 0.678 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.2 | -39.6 | 178 | -129.7 | -176.5 | 84.2 | 0 | 0 | 111.4 | A470 Q471 W472 Q477 W478 | A470-Q474 PolarHBondContact O-N 3.28Å; Q471-Q474 PolarHBondContact O-N 2.99Å; W472-Q474 VanDerWaalsContact C-N 3.34Å; W472-Q474 PolarHBondContact O-N 3.13Å; Q474-Q477 PolarHBondContact O-N 3.17Å; Q474-W478 WeakPolarHBondContact O-CB 3.43Å; Q474-W478 PolarHBondContact O-N 2.75Å |
| 475 | W | 74.3 | Confident | 67.7 | Low | 132 Ų | 132 | 114.5 Ų | 114.5 | 50% | 0.5 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.4 | -39.5 | 175.4 | -176.1 | 86.4 | 0 | 0 | 0 | 112.5 | Q471 W472 Q473 W478 Q479 | Q471-W475 WeakPolarHBondContact O-CB 3.39Å; Q471-W475 PolarHBondContact O-N 3.48Å; W472-W475 PolarHBondContact O-N 2.75Å; Q473-W475 VanDerWaalsContact C-N 3.33Å; W475-W478 PolarHBondContact O-N 3.38Å; W475-Q479 HydrophobicContact CD2-CG 4.41Å; W475-Q479 HydrophobicContact CE3-CG 4.42Å; W475-Q479 HydrophobicContact CH2-CG 4.41Å; W475-Q479 HydrophobicContact CZ2-CG 4.35Å; W475-Q479 HydrophobicContact CZ3-CG 4.4Å; W475-Q479 PolarHBondContact O-N 2.85Å |
| 476 | Q | 78.7 | Confident | 69.4 | Low | 63 Ų | 63 | 117.8 Ų | 117.8 | 29% | 0.294 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 172 | -83.3 | -153.7 | -6 | 0 | 0 | 112.5 | W472 Q473 W478 Q479 A480 | W472-Q476 HydrophobicContact CD2-CG 4.36Å; W472-Q476 HydrophobicContact CE3-CG 4.3Å; W472-Q476 VanDerWaalsContact CH2-CD 3.47Å; W472-Q476 HydrophobicContact CH2-CG 4.3Å; W472-Q476 HydrophobicContact CZ2-CG 4.28Å; W472-Q476 HydrophobicContact CZ3-CG 4.26Å; W472-Q476 PolarHBondContact O-N 3.21Å; Q473-Q476 PolarHBondContact O-N 3.08Å; Q476-W478 VanDerWaalsContact C-N 3.26Å; Q476-W478 PolarHBondContact O-N 3.21Å; Q476-Q479 PolarHBondContact O-N 3.39Å; Q476-A480 PolarHBondContact O-N 3.27Å |
| 477 | Q | 78.1 | Confident | 70.8 | Confident | 126 Ų | 126 | 116 Ų | 116 | 59% | 0.589 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -60.6 | -38.6 | 176.3 | -74 | 178.4 | 78.7 | 0 | 0 | 111.6 | Q473 Q474 A480 W481 | Q473-Q477 WeakPolarHBondContact O-CG 3.47Å; Q473-Q477 PolarHBondContact O-N 2.8Å; Q473-Q477 PolarHBondContact O-NE2 3.22Å; Q474-Q477 PolarHBondContact O-N 3.17Å; Q477-A480 PolarHBondContact O-N 3.08Å; Q477-W481 WeakPolarHBondContact O-CB 3.42Å; Q477-W481 PolarHBondContact O-N 2.91Å |
| 478 | W | 76.4 | Confident | 71.8 | Confident | 132 Ų | 132 | 111.1 Ų | 111.1 | 50% | 0.5 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.3 | -39.8 | 175.4 | -176.3 | 86.6 | 0 | 0 | 0 | 112.8 | Q474 W475 Q476 W481 Q482 | Q474-W478 WeakPolarHBondContact O-CB 3.43Å; Q474-W478 PolarHBondContact O-N 2.75Å; W475-W478 PolarHBondContact O-N 3.38Å; Q476-W478 VanDerWaalsContact C-N 3.26Å; Q476-W478 PolarHBondContact O-N 3.21Å; W478-W481 PolarHBondContact O-N 2.99Å; W478-Q482 HydrophobicContact CD2-CG 4.5Å; W478-Q482 HydrophobicContact CE3-CG 4.5Å; W478-Q482 HydrophobicContact CH2-CG 4.39Å; W478-Q482 HydrophobicContact CZ2-CG 4.35Å; W478-Q482 HydrophobicContact CZ3-CG 4.43Å; W478-Q482 PolarHBondContact O-N 3.39Å |
| 479 | Q | 78.4 | Confident | 71.6 | Confident | 93 Ų | 93 | 112.2 Ų | 112.2 | 44% | 0.435 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.8 | -42.7 | 172.6 | -75.7 | -155.8 | -12.4 | 0 | 0 | 112.5 | W475 Q476 W481 Q482 A483 | W475-Q479 HydrophobicContact CD2-CG 4.41Å; W475-Q479 HydrophobicContact CE3-CG 4.42Å; W475-Q479 HydrophobicContact CH2-CG 4.41Å; W475-Q479 HydrophobicContact CZ2-CG 4.35Å; W475-Q479 HydrophobicContact CZ3-CG 4.4Å; W475-Q479 PolarHBondContact O-N 2.85Å; Q476-Q479 PolarHBondContact O-N 3.39Å; Q479-W481 VanDerWaalsContact C-N 3.29Å; Q479-W481 PolarHBondContact O-N 3.42Å; Q479-Q482 PolarHBondContact O-N 3.21Å; Q479-A483 PolarHBondContact O-N 3.04Å |
| 480 | A | 73.1 | Confident | 70.9 | Confident | 55 Ų | 55 | 107.5 Ų | 107.5 | 46% | 0.455 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.3 | -39.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q476 Q477 A483 W484 | Q476-A480 PolarHBondContact O-N 3.27Å; Q477-A480 PolarHBondContact O-N 3.08Å; A480-A483 PolarHBondContact O-N 2.87Å; A480-W484 WeakPolarHBondContact O-CB 3.44Å; A480-W484 PolarHBondContact O-N 2.96Å |
| 481 | W | 77.1 | Confident | 69.4 | Low | 131 Ų | 131 | 108.4 Ų | 108.4 | 50% | 0.496 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.2 | -39.6 | 174.9 | -177.3 | 84.3 | 0 | 0 | 0 | 112.7 | Q477 W478 Q479 W484 Q485 | Q477-W481 WeakPolarHBondContact O-CB 3.42Å; Q477-W481 PolarHBondContact O-N 2.91Å; W478-W481 PolarHBondContact O-N 2.99Å; Q479-W481 VanDerWaalsContact C-N 3.29Å; Q479-W481 PolarHBondContact O-N 3.42Å; W481-W484 PolarHBondContact O-N 2.87Å; W481-Q485 HydrophobicContact CZ2-CG 4.48Å; W481-Q485 PolarHBondContact O-N 3.44Å |
| 482 | Q | 76.6 | Confident | 68.4 | Low | 82 Ų | 82 | 107.9 Ų | 107.9 | 38% | 0.383 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.8 | -42.3 | 173.4 | -75.9 | -148.7 | -5.8 | 0 | 0 | 112.9 | W478 Q479 W484 Q485 Q486 | W478-Q482 HydrophobicContact CD2-CG 4.5Å; W478-Q482 HydrophobicContact CE3-CG 4.5Å; W478-Q482 HydrophobicContact CH2-CG 4.39Å; W478-Q482 HydrophobicContact CZ2-CG 4.35Å; W478-Q482 HydrophobicContact CZ3-CG 4.43Å; W478-Q482 PolarHBondContact O-N 3.39Å; Q479-Q482 PolarHBondContact O-N 3.21Å; Q482-W484 VanDerWaalsContact C-N 3.3Å; Q482-W484 PolarHBondContact O-N 3.38Å; Q482-Q485 PolarHBondContact O-N 3.17Å; Q482-Q486 PolarHBondContact O-N 3.1Å; Q482-Q486 VanDerWaalsContact O-N 3.08Å |
| 483 | A | 70.3 | Confident | 67 | Low | 52 Ų | 52 | 106.3 Ų | 106.3 | 43% | 0.43 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.2 | -38.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q479 A480 Q486 Q487 | Q479-A483 PolarHBondContact O-N 3.04Å; A480-A483 PolarHBondContact O-N 2.87Å; A483-Q486 PolarHBondContact O-N 3.13Å; A483-Q487 PolarHBondContact O-N 3.12Å |
| 484 | W | 76.2 | Confident | 65.5 | Low | 144 Ų | 144 | 110 Ų | 110 | 55% | 0.545 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.5 | -38.5 | 174.9 | -176.1 | 82.2 | 0 | 0 | 0 | 112.5 | A480 W481 Q482 Q487 Q488 | A480-W484 WeakPolarHBondContact O-CB 3.44Å; A480-W484 PolarHBondContact O-N 2.96Å; W481-W484 PolarHBondContact O-N 2.87Å; Q482-W484 VanDerWaalsContact C-N 3.3Å; Q482-W484 PolarHBondContact O-N 3.38Å; W484-Q487 PolarHBondContact O-N 2.88Å; W484-Q488 PolarHBondContact O-N 2.8Å |
| 485 | Q | 74.5 | Confident | 64.1 | Low | 89 Ų | 89 | 109.2 Ų | 109.2 | 42% | 0.416 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61.3 | -43.9 | 172 | -83.6 | -162.5 | -5.4 | 0 | 0 | 112.4 | W481 Q482 Q487 Q488 T489 | W481-Q485 HydrophobicContact CZ2-CG 4.48Å; W481-Q485 PolarHBondContact O-N 3.44Å; Q482-Q485 PolarHBondContact O-N 3.17Å; Q485-Q487 VanDerWaalsContact C-N 3.26Å; Q485-Q487 PolarHBondContact O-N 3.29Å; Q485-Q488 PolarHBondContact O-N 3.03Å; Q485-Q488 VanDerWaalsContact O-N 3.12Å; Q485-T489 PolarHBondContact O-N 3.5Å; Q485-T489 VanDerWaalsContact O-N 3.14Å; Q485-T489 PolarHBondContact O-OG1 3.42Å |
| 486 | Q | 72.7 | Confident | 62.4 | Low | 145 Ų | 145 | 106.6 Ų | 106.6 | 68% | 0.678 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -60.4 | -34.9 | 177.5 | -91.6 | -171.3 | 73.2 | 0 | 0 | 112.8 | Q482 A483 T489 G490 | Q482-Q486 PolarHBondContact O-N 3.1Å; Q482-Q486 VanDerWaalsContact O-N 3.08Å; A483-Q486 PolarHBondContact O-N 3.13Å; Q486-T489 PolarHBondContact O-OG1 3Å; Q486-G490 PolarHBondContact O-N 2.8Å |
| 487 | Q | 67.5 | Low | 60.7 | Low | 160 Ų | 160 | 108.1 Ų | 108.1 | 75% | 0.748 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -71.3 | -30 | 176 | -78.7 | -178.6 | 19 | 0 | 0 | 113.3 | A483 W484 Q485 | A483-Q487 PolarHBondContact O-N 3.12Å; W484-Q487 PolarHBondContact O-N 2.88Å; Q485-Q487 VanDerWaalsContact C-N 3.26Å; Q485-Q487 PolarHBondContact O-N 3.29Å |
| 488 | Q | 62.7 | Low | 58.8 | Low | 122 Ų | 122 | 106 Ų | 106 | 57% | 0.57 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -78.5 | -27.8 | 177 | -72.5 | -144.2 | 70.5 | 0 | 0 | 113.6 | W484 Q485 G490 | W484-Q488 PolarHBondContact O-N 2.8Å; Q485-Q488 PolarHBondContact O-N 3.03Å; Q485-Q488 VanDerWaalsContact O-N 3.12Å; Q488-G490 VanDerWaalsContact C-N 3.32Å |
| 489 | T | 55.6 | Low | 57.3 | Low | 120 Ų | 120 | 104.3 Ų | 104.3 | 74% | 0.736 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -85.7 | -2.2 | 177.9 | 54.1 | 0 | 0 | 0 | 0 | 114 | Q485 Q486 | Q485-T489 PolarHBondContact O-N 3.5Å; Q485-T489 VanDerWaalsContact O-N 3.14Å; Q485-T489 PolarHBondContact O-OG1 3.42Å; Q486-T489 PolarHBondContact O-OG1 3Å |
| 490 | G | 42.3 | Very low | 56 | Low | 61 Ų | 61 | 105.6 Ų | 105.6 | 63% | 0.629 | 67% | 0.667 | S | S | * | * | trans | -109.3 | 48.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q486 Q488 | Q486-G490 PolarHBondContact O-N 2.8Å; Q488-G490 VanDerWaalsContact C-N 3.32Å | ||
| 491 | A | 40.7 | Very low | 54.7 | Low | 80 Ų | 80 | 109.2 Ų | 109.2 | 66% | 0.661 | 69% | 0.686 | S | S | * | * | trans | -91.1 | 141.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | G493 | A491-G493 PolarHBondContact O-N 3.4Å; A491-G493 VanDerWaalsContact O-N 3.15Å | ||
| 492 | P | 42.5 | Very low | 53.1 | Low | 134 Ų | 134 | 106.3 Ų | 106.3 | 87% | 0.87 | 70% | 0.696 | S | S | * | * | trans | -72.4 | 107.1 | -179.4 | 28.5 | -32 | 0 | 0 | 0 | 111.1 | Q494 | P492-Q494 PolarHBondContact O-N 3.13Š| ||
| 493 | G | 39.8 | Very low | 51.4 | Low | 75 Ų | 75 | 111.1 Ų | 111.1 | 77% | 0.773 | 72% | 0.719 | S | S | * | * | trans | -77.6 | 100.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A491 | A491-G493 PolarHBondContact O-N 3.4Å; A491-G493 VanDerWaalsContact O-N 3.15Å | ||
| 494 | Q | 43.7 | Very low | 50 | Low | 170 Ų | 170 | 114.1 Ų | 114.1 | 79% | 0.794 | 73% | 0.732 | S | S | * | * | trans | 54.8 | 129.2 | 142 | -73.2 | -174.2 | -18 | 0 | 0 | 122 | P492 | P492-Q494 PolarHBondContact O-N 3.13Š| ||
| 495 | P | 45.6 | Very low | 48.8 | Very low | 128 Ų | 128 | 115.8 Ų | 115.8 | 83% | 0.831 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -80.3 | 128.4 | 146.1 | 31.6 | -25.9 | 0 | 0 | 0 | 111.1 | ||
| 496 | G | 38.7 | Very low | 47.6 | Very low | 76 Ų | 76 | 117.3 Ų | 117.3 | 78% | 0.784 | 77% | 0.766 | S | S | * | * | trans | 41.7 | 98.8 | 148.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | G498 | G496-G498 PolarHBondContact O-N 3.27Š| ||
| 497 | A | 41.8 | Very low | 46.1 | Very low | 96 Ų | 96 | 113.6 Ų | 113.6 | 79% | 0.793 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 120.3 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 498 | G | 38.5 | Very low | 45.1 | Very low | 81 Ų | 81 | 111.4 Ų | 111.4 | 84% | 0.835 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 124.9 | 161.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | G496 | G496-G498 PolarHBondContact O-N 3.27Š|
| 499 | A | 45.9 | Very low | 44.2 | Very low | 96 Ų | 96 | 113.6 Ų | 113.6 | 79% | 0.793 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 155.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 500 | P | 51.1 | Low | 43.4 | Very low | 121 Ų | 121 | 112.6 Ų | 112.6 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 168.8 | -167.9 | 35.5 | -35.5 | 0 | 0 | 0 | 113.2 | ||
| 501 | P | 45.6 | Very low | 43.5 | Very low | 131 Ų | 131 | 116.8 Ų | 116.8 | 85% | 0.851 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 149.7 | -174 | 34.8 | -32.3 | 0 | 0 | 0 | 111.8 | ||
| 502 | G | 42.2 | Very low | 43.3 | Very low | 69 Ų | 69 | 121.3 Ų | 121.3 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | trans | 131 | 109.2 | 149.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 503 | Q | 42.3 | Very low | 43.1 | Very low | 183 Ų | 183 | 120.7 Ų | 120.7 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | trans | 98.3 | 111.4 | 145.2 | -60.4 | -166.5 | 83.1 | 0 | 0 | 119.8 | ||||
| 504 | T | 40.5 | Very low | 43.1 | Very low | 115 Ų | 115 | 121.6 Ų | 121.6 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | trans | 70.5 | 100.8 | 137.4 | 57.5 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 505 | M | 50.8 | Low | 43.2 | Very low | 179 Ų | 179 | 119 Ų | 119 | 88% | 0.882 | 78% | 0.781 | S | S | * | * | 110.6 | 152.6 | 73.7 | -86.5 | -91.9 | -103.4 | 0 | 0 | 109.9 | |||||
| 506 | P | 48.8 | Very low | 43 | Very low | 122 Ų | 122 | 118.6 Ų | 118.6 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | -125.7 | 173.3 | -125.7 | 41.7 | -29.6 | 0 | 0 | 0 | 115.8 | |||||
| 507 | G | 42.6 | Very low | 43.3 | Very low | 66 Ų | 66 | 124 Ų | 124 | 68% | 0.68 | 79% | 0.789 | S | S | * | * | trans | 131.6 | 146.9 | 159.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 508 | T | 46.6 | Very low | 44.3 | Very low | 115 Ų | 115 | 124.9 Ų | 124.9 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | cis | -172.8 | 132.9 | -1.9 | -67.4 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 509 | Q | 41.9 | Very low | 44.7 | Very low | 168 Ų | 168 | 127.1 Ų | 127.1 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | 56.6 | 117.1 | 149.8 | -65 | -180 | 73.5 | 0 | 0 | 122.8 | ||||
| 510 | S | 39.5 | Very low | 44.7 | Very low | 98 Ų | 98 | 127.2 Ų | 127.2 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | 73.1 | 145.4 | 113.7 | -48.5 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 511 | I | 44.5 | Very low | 45 | Very low | 149 Ų | 149 | 127.6 Ų | 127.6 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | trans | 103 | 96.4 | 153.5 | -50.4 | 178.4 | 0 | 0 | 0 | 116.8 | ||||
| 512 | Q | 37.4 | Very low | 44.9 | Very low | 175 Ų | 175 | 124.6 Ų | 124.6 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | 52.1 | 140.5 | 111.4 | -123.9 | 162.5 | 14.7 | 0 | 0 | 121.4 | |||||
| 513 | C | 36.7 | Very low | 45.2 | Very low | 121 Ų | 121 | 130.3 Ų | 130.3 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | 99.2 | 114.9 | 158.4 | -58.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 514 | A | 40.8 | Very low | 45.6 | Very low | 94 Ų | 94 | 126.5 Ų | 126.5 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | trans | -71.4 | -167.2 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 515 | P | 46.6 | Very low | 46.1 | Very low | 115 Ų | 115 | 126.8 Ų | 126.8 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | cis | -124.3 | 169.8 | -29.9 | 34.1 | -18.1 | 0 | 0 | 0 | 111.3 | ||||
| 516 | S | 40.8 | Very low | 46.5 | Very low | 121 Ų | 121 | 126.1 Ų | 126.1 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | 174.1 | 132.2 | 148.5 | -83.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 517 | M | 45 | Very low | 46.8 | Very low | 189 Ų | 189 | 125.9 Ų | 125.9 | 93% | 0.931 | 78% | 0.782 | S | S | * | * | trans | -69 | 153.9 | 168.8 | -68.3 | 172.6 | 82.6 | 0 | 0 | 111.5 | ||||
| 518 | P | 61.9 | Low | 46.9 | Very low | 115 Ų | 115 | 132 Ų | 132 | 75% | 0.747 | 79% | 0.792 | S | S | * | * | trans | -130.1 | 164.6 | 144.3 | 28.6 | -11.4 | 0 | 0 | 0 | 113.8 | ||||
| 519 | P | 47.8 | Very low | 47.1 | Very low | 128 Ų | 128 | 139.3 Ų | 139.3 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 173.2 | -161.5 | 37.7 | -34.6 | 0 | 0 | 0 | 115 | ||
| 520 | A | 44.6 | Very low | 47.3 | Very low | 97 Ų | 97 | 137.9 Ų | 137.9 | 80% | 0.802 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 154.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 521 | P | 57.5 | Low | 47.8 | Very low | 129 Ų | 129 | 139.9 Ų | 139.9 | 84% | 0.838 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -102.5 | 133.2 | 161 | 32.8 | -23 | 0 | 0 | 0 | 112.4 | ||
| 522 | G | 44 | Very low | 47.9 | Very low | 68 Ų | 68 | 139.4 Ų | 139.4 | 70% | 0.701 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 172.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 523 | H | 49.4 | Very low | 48.6 | Very low | 189 Ų | 189 | 137.4 Ų | 137.4 | 88% | 0.875 | 83% | 0.832 | S | S | * | * | trans | -164.1 | 160.1 | 155.9 | -115.5 | -84.5 | 0 | 0 | 0 | 108.6 | ||||
| 524 | P | 50.9 | Low | 49.3 | Very low | 103 Ų | 103 | 138.4 Ų | 138.4 | 67% | 0.669 | 83% | 0.833 | S | S | * | * | -118 | 178.8 | -112.3 | 29.9 | -8.5 | 0 | 0 | 0 | 114 | |||||
| 525 | P | 49.8 | Very low | 49.9 | Very low | 122 Ų | 122 | 141.3 Ų | 141.3 | 79% | 0.792 | 84% | 0.836 | S | S | * | * | trans | -90.2 | 155 | -169.6 | 35.6 | -31.9 | 0 | 0 | 0 | 114 | ||||
| 526 | I | 58.6 | Low | 50.1 | Low | 164 Ų | 164 | 143.2 Ų | 143.2 | 84% | 0.841 | 84% | 0.843 | S | S | * | * | trans | -107.2 | 129.7 | 167.9 | -61.8 | 174.3 | 0 | 0 | 0 | 108.6 | ||||
| 527 | P | 55 | Low | 50.8 | Low | 118 Ų | 118 | 144.9 Ų | 144.9 | 77% | 0.766 | 84% | 0.842 | S | S | * | * | trans | -87.1 | 165.5 | -179.7 | 34.1 | -32.9 | 0 | 0 | 0 | 114.3 | ||||
| 528 | Q | 44.7 | Very low | 51.3 | Low | 193 Ų | 193 | 141.3 Ų | 141.3 | 90% | 0.902 | 84% | 0.835 | S | S | * | * | trans | -44.6 | 144 | -173.5 | -67.2 | 168.9 | 9.7 | 0 | 0 | 118.2 | ||||
| 529 | Q | 51.4 | Low | 50.3 | Low | 269 Ų | 269 | 143.6 Ų | 143.6 | 100% | 1.257 | 84% | 0.843 | S | S | * | * | -132.9 | 0 | 116.8 | -116.5 | -167.2 | 61.3 | 0 | 0 | 109.7 |
Retrieved 529 of 529 residues in 359.6 ms
(Link to these results)