| 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 | 45.1 | Very low | 48.6 | Very low | 237 Ų | 237 | 124.6 Ų | 124.6 | 100% | 1.167 | 69% | 0.688 | S | S | * | * | 0 | 60 | 0 | -66.3 | 161.3 | 81.7 | 0 | 0 | 111.1 | |||||
| 2 | Q | 44.8 | Very low | 49.4 | Very low | 175 Ų | 175 | 129.1 Ų | 129.1 | 82% | 0.818 | 69% | 0.687 | S | S | * | * | trans | -134 | -5.6 | -178.1 | -81.4 | 178.8 | -19.3 | 0 | 0 | 114.7 | ||||
| 3 | S | 43.3 | Very low | 50.1 | Low | 99 Ų | 99 | 130.5 Ų | 130.5 | 69% | 0.692 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -82.3 | -21.2 | -176.1 | -167.7 | 0 | 0 | 0 | 0 | 114 | ||
| 4 | V | 47.6 | Very low | 51 | Low | 121 Ų | 121 | 130.5 Ų | 130.5 | 73% | 0.733 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -87.4 | -21.1 | -172.1 | -171.4 | 0 | 0 | 0 | 0 | 113.3 | T7 | V4-T7 PolarHBondContact O-OG1 3.34Å |
| 5 | Q | 48.4 | Very low | 52 | Low | 150 Ų | 150 | 126.9 Ų | 126.9 | 70% | 0.701 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -79.8 | -28.6 | 179 | -84.3 | 175.9 | -28.3 | 0 | 0 | 113.4 | F9 | Q5-F9 PolarHBondContact O-N 3.14Å |
| 6 | S | 46.8 | Very low | 53.2 | Low | 89 Ų | 89 | 125.6 Ų | 125.6 | 62% | 0.622 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -75.2 | -35.5 | -176.1 | -154.1 | 0 | 0 | 0 | 0 | 112.6 | C10 | S6-C10 PolarHBondContact O-N 3.3Å |
| 7 | T | 49 | Very low | 54.2 | Low | 81 Ų | 81 | 123 Ų | 123 | 50% | 0.497 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -70.1 | -36.5 | 177.6 | 53.4 | 0 | 0 | 0 | 0 | 112.4 | V4 C10 L11 | V4-T7 PolarHBondContact O-OG1 3.34Å; T7-C10 PolarHBondContact O-N 2.93Å; T7-L11 VanDerWaalsContact O-CD1 3.27Å; T7-L11 WeakPolarHBondContact O-CD1 3.29Å; T7-L11 PolarHBondContact O-N 2.71Å; T7-L11 VanDerWaalsContact O-N 3.15Å |
| 8 | S | 52.2 | Low | 55.3 | Low | 76 Ų | 76 | 122.1 Ų | 122.1 | 53% | 0.531 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -67 | -39.1 | 176.8 | -176.7 | 0 | 0 | 0 | 0 | 112.9 | R12 | S8-R12 WeakPolarHBondContact O-CB 3.42Å; S8-R12 PolarHBondContact O-N 3.43Å; S8-R12 VanDerWaalsContact O-N 3.11Å |
| 9 | F | 47.9 | Very low | 56.3 | Low | 136 Ų | 136 | 119.1 Ų | 119.1 | 60% | 0.596 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -68.2 | -34.4 | 176.5 | -104.9 | -86.9 | 0 | 0 | 0 | 113.1 | Q5 K13 | Q5-F9 PolarHBondContact O-N 3.14Å; F9-K13 PolarHBondContact O-N 3.47Å; F9-K13 VanDerWaalsContact O-N 3.16Å |
| 10 | C | 55.1 | Low | 57.2 | Low | 82 Ų | 82 | 120.2 Ų | 120.2 | 55% | 0.554 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -68.1 | -47.3 | 175.5 | -114 | 0 | 0 | 0 | 0 | 111.9 | S6 T7 R12 K13 Q14 | S6-C10 PolarHBondContact O-N 3.3Å; T7-C10 PolarHBondContact O-N 2.93Å; C10-R12 VanDerWaalsContact C-N 3.29Å; C10-R12 PolarHBondContact O-N 3.1Å; C10-K13 PolarHBondContact O-N 3.23Å; C10-Q14 WeakPolarHBondContact O-CB 3.49Å; C10-Q14 PolarHBondContact O-N 3.36Å |
| 11 | L | 54.4 | Low | 58 | Low | 125 Ų | 125 | 119.4 Ų | 119.4 | 65% | 0.654 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -60.2 | -38.4 | 176.1 | -95.3 | 93.7 | 0 | 0 | 0 | 112.2 | T7 Q14 C15 | T7-L11 VanDerWaalsContact O-CD1 3.27Å; T7-L11 WeakPolarHBondContact O-CD1 3.29Å; T7-L11 PolarHBondContact O-N 2.71Å; T7-L11 VanDerWaalsContact O-N 3.15Å; L11-Q14 PolarHBondContact O-N 3.31Å; L11-C15 VanDerWaalsContact O-CB 3.25Å; L11-C15 WeakPolarHBondContact O-CB 2.98Å; L11-C15 PolarHBondContact O-N 3.22Å |
| 12 | R | 57.6 | Low | 59.2 | Low | 178 Ų | 178 | 113.3 Ų | 113.3 | 67% | 0.672 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -68.5 | -40 | 180 | -163.5 | 174.2 | -178 | -174.8 | 0.4 | 112.6 | S8 C10 L16 | S8-R12 WeakPolarHBondContact O-CB 3.42Å; S8-R12 PolarHBondContact O-N 3.43Å; S8-R12 VanDerWaalsContact O-N 3.11Å; C10-R12 VanDerWaalsContact C-N 3.29Å; C10-R12 PolarHBondContact O-N 3.1Å; R12-L16 WeakPolarHBondContact O-CD1 3.48Å; R12-L16 WeakPolarHBondContact O-CG 3.34Å; R12-L16 PolarHBondContact O-N 3.38Å; R12-L16 VanDerWaalsContact O-N 3.09Å |
| 13 | K | 59.4 | Low | 60.3 | Low | 148 Ų | 148 | 110.6 Ų | 110.6 | 64% | 0.643 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.9 | -39.2 | 174.1 | -81.3 | -176.2 | 173.8 | -176.3 | 0 | 112.3 | F9 C10 L16 C17 | F9-K13 PolarHBondContact O-N 3.47Å; F9-K13 VanDerWaalsContact O-N 3.16Å; C10-K13 PolarHBondContact O-N 3.23Å; K13-L16 PolarHBondContact O-N 3.48Å; K13-C17 PolarHBondContact O-N 3.48Å |
| 14 | Q | 62.3 | Low | 61.4 | Low | 130 Ų | 130 | 111.5 Ų | 111.5 | 61% | 0.607 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -70 | -37 | 179.6 | -155.6 | 157.3 | 10.4 | 0 | 0 | 111.8 | C10 L11 C17 L18 | C10-Q14 WeakPolarHBondContact O-CB 3.49Å; C10-Q14 PolarHBondContact O-N 3.36Å; L11-Q14 PolarHBondContact O-N 3.31Å; Q14-C17 PolarHBondContact O-N 3.21Å; Q14-L18 WeakPolarHBondContact O-CB 3.18Å; Q14-L18 WeakPolarHBondContact O-CG 2.95Å; Q14-L18 PolarHBondContact O-N 2.96Å |
| 15 | C | 65.9 | Low | 62 | Low | 76 Ų | 76 | 111 Ų | 111 | 51% | 0.514 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.9 | -42.3 | 172.7 | -162.2 | 0 | 0 | 0 | 0 | 111.9 | L11 L18 T19 | L11-C15 VanDerWaalsContact O-CB 3.25Å; L11-C15 WeakPolarHBondContact O-CB 2.98Å; L11-C15 PolarHBondContact O-N 3.22Å; C15-L18 PolarHBondContact O-N 2.04Å; C15-T19 WeakPolarHBondContact O-CG2 3.06Å; C15-T19 PolarHBondContact O-N 3.39Å; C15-T19 PolarHBondContact O-OG1 3.26Å |
| 16 | L | 71.3 | Confident | 62.5 | Low | 107 Ų | 107 | 109.1 Ų | 109.1 | 56% | 0.56 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -64.7 | -37.5 | 175.2 | -76.8 | 164.3 | 0 | 0 | 0 | 113.1 | R12 K13 T19 F20 | R12-L16 WeakPolarHBondContact O-CD1 3.48Å; R12-L16 WeakPolarHBondContact O-CG 3.34Å; R12-L16 PolarHBondContact O-N 3.38Å; R12-L16 VanDerWaalsContact O-N 3.09Å; K13-L16 PolarHBondContact O-N 3.48Å; L16-T19 WeakPolarHBondContact CA-OG1 3.46Å; L16-T19 PolarHBondContact O-OG1 3.22Å; L16-F20 WeakPolarHBondContact O-CB 3.47Å; L16-F20 PolarHBondContact O-N 2.69Å |
| 17 | C | 70.4 | Confident | 62.9 | Low | 81 Ų | 81 | 107 Ų | 107 | 55% | 0.547 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.3 | -40 | 173 | -82.1 | 0 | 0 | 0 | 0 | 112.1 | K13 Q14 F20 L21 | K13-C17 PolarHBondContact O-N 3.48Å; Q14-C17 PolarHBondContact O-N 3.21Å; C17-F20 PolarHBondContact O-N 3.4Å; C17-L21 WeakPolarHBondContact O-CB 3.17Å; C17-L21 WeakPolarHBondContact O-CG 3.3Å; C17-L21 PolarHBondContact O-N 3.24Å |
| 18 | L | 73.4 | Confident | 63 | Low | 107 Ų | 107 | 109.9 Ų | 109.9 | 56% | 0.56 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65.9 | -40.7 | 176.8 | -79.9 | 161.2 | 0 | 0 | 0 | 111.6 | Q14 C15 L21 L22 | Q14-L18 WeakPolarHBondContact O-CB 3.18Å; Q14-L18 WeakPolarHBondContact O-CG 2.95Å; Q14-L18 PolarHBondContact O-N 2.96Å; C15-L18 PolarHBondContact O-N 2.04Å; L18-L21 PolarHBondContact O-N 3.34Å; L18-L22 WeakPolarHBondContact O-CB 3.21Å; L18-L22 PolarHBondContact O-N 3.21Å |
| 19 | T | 74.4 | Confident | 62.9 | Low | 64 Ų | 64 | 111.2 Ų | 111.2 | 39% | 0.393 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.8 | -39.9 | 174.3 | 57.6 | 0 | 0 | 0 | 0 | 111.8 | C15 L16 L22 L23 | C15-T19 WeakPolarHBondContact O-CG2 3.06Å; C15-T19 PolarHBondContact O-N 3.39Å; C15-T19 PolarHBondContact O-OG1 3.26Å; L16-T19 WeakPolarHBondContact CA-OG1 3.46Å; L16-T19 PolarHBondContact O-OG1 3.22Å; T19-L22 PolarHBondContact O-N 3.35Å; T19-L23 WeakPolarHBondContact O-CB 3.31Å; T19-L23 VanDerWaalsContact O-CD1 3.31Å; T19-L23 WeakPolarHBondContact O-CD1 2.98Å; T19-L23 PolarHBondContact O-N 3.1Å |
| 20 | F | 73.8 | Confident | 62.8 | Low | 141 Ų | 141 | 108.3 Ų | 108.3 | 62% | 0.618 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65.6 | -39.9 | 176.8 | -142.5 | -89.4 | 0 | 0 | 0 | 112.2 | L16 C17 L23 H24 | L16-F20 WeakPolarHBondContact O-CB 3.47Å; L16-F20 PolarHBondContact O-N 2.69Å; C17-F20 PolarHBondContact O-N 3.4Å; F20-L23 PolarHBondContact O-N 2.79Å; F20-H24 AromaticContact CD1-CD2 3.9Å; F20-H24 AromaticContact CE1-CD2 3.93Å; F20-H24 WeakPolarHBondContact O-CB 3.38Å; F20-H24 PolarHBondContact O-N 3.34Å |
| 21 | L | 74.1 | Confident | 62.5 | Low | 105 Ų | 105 | 108.3 Ų | 108.3 | 55% | 0.55 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -64.4 | -41.5 | 171.7 | -83 | 161 | 0 | 0 | 0 | 111.6 | C17 L18 H24 L25 | C17-L21 WeakPolarHBondContact O-CB 3.17Å; C17-L21 WeakPolarHBondContact O-CG 3.3Å; C17-L21 PolarHBondContact O-N 3.24Å; L18-L21 PolarHBondContact O-N 3.34Å; L21-H24 PolarHBondContact O-N 3.09Å; L21-L25 WeakPolarHBondContact O-CB 3.48Å; L21-L25 WeakPolarHBondContact O-CD1 3.47Å; L21-L25 WeakPolarHBondContact O-CG 3.31Å; L21-L25 PolarHBondContact O-N 3.48Å |
| 22 | L | 71.3 | Confident | 62.2 | Low | 108 Ų | 108 | 107.6 Ų | 107.6 | 57% | 0.565 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -64.1 | -42 | 175.5 | -137.1 | 96.7 | 0 | 0 | 0 | 111.4 | L18 T19 L25 L26 | L18-L22 WeakPolarHBondContact O-CB 3.21Å; L18-L22 PolarHBondContact O-N 3.21Å; T19-L22 PolarHBondContact O-N 3.35Å; L22-L25 PolarHBondContact O-N 2.96Å; L22-L26 HydrophobicContact CD2-CD1 4.23Å; L22-L26 VanDerWaalsContact O-CB 3.29Å; L22-L26 WeakPolarHBondContact O-CB 3.5Å; L22-L26 WeakPolarHBondContact O-CD1 3.42Å; L22-L26 WeakPolarHBondContact O-CG 3.2Å; L22-L26 PolarHBondContact O-N 3.34Å |
| 23 | L | 68.3 | Low | 62 | Low | 119 Ų | 119 | 106.4 Ų | 106.4 | 62% | 0.623 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66 | -37.3 | 175.2 | -94 | 128 | 0 | 0 | 0 | 111.9 | T19 F20 G27 | T19-L23 WeakPolarHBondContact O-CB 3.31Å; T19-L23 VanDerWaalsContact O-CD1 3.31Å; T19-L23 WeakPolarHBondContact O-CD1 2.98Å; T19-L23 PolarHBondContact O-N 3.1Å; F20-L23 PolarHBondContact O-N 2.79Å; L23-G27 PolarHBondContact O-N 3.07Å |
| 24 | H | 64.9 | Low | 62.1 | Low | 117 Ų | 117 | 109.5 Ų | 109.5 | 54% | 0.542 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -67 | -42.3 | 172.5 | -110 | -68.9 | 0 | 0 | 0 | 112.2 | F20 L21 G27 Q28 | F20-H24 AromaticContact CD1-CD2 3.9Å; F20-H24 AromaticContact CE1-CD2 3.93Å; F20-H24 WeakPolarHBondContact O-CB 3.38Å; F20-H24 PolarHBondContact O-N 3.34Å; L21-H24 PolarHBondContact O-N 3.09Å; H24-G27 PolarHBondContact O-N 3.09Å; H24-Q28 WeakPolarHBondContact O-CG 3.42Å; H24-Q28 PolarHBondContact O-N 3.23Å |
| 25 | L | 60.3 | Low | 62.3 | Low | 112 Ų | 112 | 105.5 Ų | 105.5 | 59% | 0.586 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -64.3 | -43.4 | 175 | -82.8 | 155.6 | 0 | 0 | 0 | 111.2 | L21 L22 G27 Q28 V29 | L21-L25 WeakPolarHBondContact O-CB 3.48Å; L21-L25 WeakPolarHBondContact O-CD1 3.47Å; L21-L25 WeakPolarHBondContact O-CG 3.31Å; L21-L25 PolarHBondContact O-N 3.48Å; L22-L25 PolarHBondContact O-N 2.96Å; L25-G27 VanDerWaalsContact C-N 3.33Å; L25-G27 PolarHBondContact O-N 2.77Å; L25-Q28 PolarHBondContact O-N 2.89Å; L25-V29 VanDerWaalsContact O-CG2 3.3Å; L25-V29 WeakPolarHBondContact O-CG2 3.49Å; L25-V29 PolarHBondContact O-N 3.2Å; L25-V29 VanDerWaalsContact O-N 3.09Å |
| 26 | L | 59.5 | Low | 62.6 | Low | 109 Ų | 109 | 105.3 Ų | 105.3 | 57% | 0.571 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.5 | -35.8 | 174.3 | -72.1 | 165.7 | 0 | 0 | 0 | 111.9 | L22 V29 A30 | L22-L26 HydrophobicContact CD2-CD1 4.23Å; L22-L26 VanDerWaalsContact O-CB 3.29Å; L22-L26 WeakPolarHBondContact O-CB 3.5Å; L22-L26 WeakPolarHBondContact O-CD1 3.42Å; L22-L26 WeakPolarHBondContact O-CG 3.2Å; L22-L26 PolarHBondContact O-N 3.34Å; L26-V29 PolarHBondContact O-N 2.69Å; L26-A30 PolarHBondContact O-N 3.18Å |
| 27 | G | 55.5 | Low | 62.3 | Low | 44 Ų | 44 | 106.1 Ų | 106.1 | 45% | 0.454 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -67.5 | -32.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L23 H24 L25 | L23-G27 PolarHBondContact O-N 3.07Å; H24-G27 PolarHBondContact O-N 3.09Å; L25-G27 VanDerWaalsContact C-N 3.33Å; L25-G27 PolarHBondContact O-N 2.77Å |
| 28 | Q | 51.8 | Low | 62.4 | Low | 143 Ų | 143 | 110 Ų | 110 | 67% | 0.668 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -72.3 | -33.1 | 173.7 | -69.3 | -88.4 | -50.4 | 0 | 0 | 112 | H24 L25 A30 A31 | H24-Q28 WeakPolarHBondContact O-CG 3.42Å; H24-Q28 PolarHBondContact O-N 3.23Å; L25-Q28 PolarHBondContact O-N 2.89Å; Q28-A30 VanDerWaalsContact C-N 3.34Å; Q28-A31 PolarHBondContact O-N 2.89Å |
| 29 | V | 49.1 | Very low | 62.4 | Low | 103 Ų | 103 | 108 Ų | 108 | 62% | 0.624 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -72.5 | -26.4 | 175.7 | 177.5 | 0 | 0 | 0 | 0 | 112.1 | L25 L26 A31 T32 | L25-V29 VanDerWaalsContact O-CG2 3.3Å; L25-V29 WeakPolarHBondContact O-CG2 3.49Å; L25-V29 PolarHBondContact O-N 3.2Å; L25-V29 VanDerWaalsContact O-N 3.09Å; L26-V29 PolarHBondContact O-N 2.69Å; V29-A31 VanDerWaalsContact C-N 3.27Å; V29-A31 PolarHBondContact O-N 3.21Å; V29-T32 PolarHBondContact O-OG1 3.1Å |
| 30 | A | 46.2 | Very low | 62.1 | Low | 75 Ų | 75 | 107.9 Ų | 107.9 | 62% | 0.62 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -13.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L26 Q28 | L26-A30 PolarHBondContact O-N 3.18Å; Q28-A30 VanDerWaalsContact C-N 3.34Å |
| 31 | A | 48.5 | Very low | 61.7 | Low | 82 Ų | 82 | 105.4 Ų | 105.4 | 68% | 0.678 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | 8.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q28 V29 | Q28-A31 PolarHBondContact O-N 2.89Å; V29-A31 VanDerWaalsContact C-N 3.27Å; V29-A31 PolarHBondContact O-N 3.21Å |
| 32 | T | 49.2 | Very low | 61.6 | Low | 111 Ų | 111 | 108.5 Ų | 108.5 | 68% | 0.681 | 62% | 0.62 | S | S | * | * | trans | -114.5 | 35.4 | 177.8 | 54.4 | 0 | 0 | 0 | 0 | 113.2 | V29 | V29-T32 PolarHBondContact O-OG1 3.1Š| ||
| 33 | Q | 52.4 | Low | 61.8 | Low | 152 Ų | 152 | 105.2 Ų | 105.2 | 71% | 0.71 | 61% | 0.606 | S | S | * | * | trans | -102.6 | 93.2 | 159.9 | -72.9 | -171.9 | -4.9 | 0 | 0 | 108.2 | C35 | Q33-C35 PolarHBondContact O-N 3.42Š| ||
| 34 | R | 61.9 | Low | 62.1 | Low | 213 Ų | 213 | 103.4 Ų | 103.4 | 80% | 0.804 | 60% | 0.601 | S | S | * | * | trans | -66.3 | -20.6 | 176.1 | -76.8 | 177.9 | -173.4 | 139 | 3.2 | 112.7 | ||||
| 35 | C | 65.3 | Low | 62.3 | Low | 46 Ų | 46 | 105 Ų | 105 | 31% | 0.311 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -117.6 | 134.5 | 177.7 | -63.5 | 0 | 0 | 0 | 0 | 110.2 | Q33 C61 | Q33-C35 PolarHBondContact O-N 3.42Å; C35-C61 HydrophobicContact CB-CB 3.71Å; C35-C61 WeakPolarHBondContact CB-SG 3.49Å; C35-C61 WeakPolarHBondContact SG-CA 3.48Å; C35-C61 WeakPolarHBondContact SG-CB 3.35Å; C35-C61 CovalentContact SG-SG 2.04Å; C35-C61 PolarHBondContact SG-SG 2.06Å |
| 36 | P | 72.2 | Confident | 63.1 | Low | 73 Ų | 73 | 104.5 Ų | 104.5 | 47% | 0.474 | 62% | 0.621 | S | S | . | * | trans | -63.8 | 149.3 | 173.2 | 26.5 | -32.3 | 0 | 0 | 0 | 110.6 | Q38 | P36-Q38 WeakPolarHBondContact CB-O 3.25Å; P36-Q38 WeakPolarHBondContact CG-O 3.09Å; P36-Q38 PolarHBondContact O-N 2.89Å; P36-Q38 VanDerWaalsContact O-N 3.11Å | ||
| 37 | P | 66.6 | Low | 63.9 | Low | 124 Ų | 124 | 104.2 Ų | 104.2 | 81% | 0.805 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -66 | -14.1 | -179.8 | 27.2 | -35.4 | 0 | 0 | 0 | 113.3 | ||
| 38 | Q | 72.6 | Confident | 65.3 | Low | 162 Ų | 162 | 104.3 Ų | 104.3 | 76% | 0.757 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -128.9 | 138.2 | 171.9 | -62 | -173.6 | 28.8 | 0 | 0 | 108.3 | P36 | P36-Q38 WeakPolarHBondContact CB-O 3.25Å; P36-Q38 WeakPolarHBondContact CG-O 3.09Å; P36-Q38 PolarHBondContact O-N 2.89Å; P36-Q38 VanDerWaalsContact O-N 3.11Å |
| 39 | C | 72.6 | Confident | 67.2 | Low | 64 Ų | 64 | 104.4 Ų | 104.4 | 43% | 0.432 | 63% | 0.629 | S | S | . | * | trans | -59.5 | 132.2 | 173.7 | -63 | 0 | 0 | 0 | 0 | 109.4 | G41 C63 | C39-G41 PolarHBondContact O-N 2.87Å; C39-C63 WeakPolarHBondContact CA-SG 3.1Å; C39-C63 HydrophobicContact CB-CB 3.64Å; C39-C63 WeakPolarHBondContact CB-SG 3.49Å; C39-C63 WeakPolarHBondContact SG-CA 3.01Å; C39-C63 WeakPolarHBondContact SG-CB 3.36Å; C39-C63 CovalentContact SG-SG 2.04Å; C39-C63 PolarHBondContact SG-SG 2.96Å | ||
| 40 | P | 68.4 | Low | 69.2 | Low | 63 Ų | 63 | 101 Ų | 101 | 41% | 0.409 | 61% | 0.609 | S | S | . | * | trans | -56.3 | 137.4 | 172.4 | 22.8 | -29.8 | 0 | 0 | 0 | 108.3 | Q42 | P40-Q42 PolarHBondContact O-N 2.01Š| ||
| 41 | G | 66.1 | Low | 71.3 | Confident | 89 Ų | 89 | 100.4 Ų | 100.4 | 92% | 0.918 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | 33.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | C39 | C39-G41 PolarHBondContact O-N 2.87Š|
| 42 | Q | 70.4 | Confident | 73.2 | Confident | 169 Ų | 169 | 103 Ų | 103 | 79% | 0.79 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.2 | 8.3 | -171.5 | -67 | 170.4 | 45.4 | 0 | 0 | 112.5 | P40 | P40-Q42 PolarHBondContact O-N 2.01Š|
| 43 | C | 75.1 | Confident | 74.9 | Confident | 40 Ų | 40 | 101.5 Ų | 101.5 | 27% | 0.27 | 62% | 0.621 | S | S | . | * | S | Bend | trans | -64.6 | 137.1 | 172.2 | -61 | 0 | 0 | 0 | 0 | 109.8 | T45 C64 | C43-T45 PolarHBondContact O-N 2.98Å; C43-C64 WeakPolarHBondContact CA-SG 3.42Å; C43-C64 HydrophobicContact CB-CB 3.82Å; C43-C64 WeakPolarHBondContact CB-SG 3.3Å; C43-C64 WeakPolarHBondContact SG-CA 3.42Å; C43-C64 WeakPolarHBondContact SG-CB 3.47Å; C43-C64 CovalentContact SG-SG 2.04Å; C43-C64 PolarHBondContact SG-SG 2.95Å |
| 44 | P | 75.6 | Confident | 76.7 | Confident | 81 Ų | 81 | 95.8 Ų | 95.8 | 53% | 0.526 | 60% | 0.596 | S | S | . | * | trans | -54.7 | 129 | 173.8 | -22 | 31.5 | 0 | 0 | 0 | 110.2 | T46 | P44-T46 PolarHBondContact O-N 2.08Š| ||
| 45 | T | 69.9 | Low | 78 | Confident | 149 Ų | 149 | 90.1 Ų | 90.1 | 91% | 0.914 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -66.9 | -14 | 176.7 | 28 | 0 | 0 | 0 | 0 | 113 | C43 | C43-T45 PolarHBondContact O-N 2.98Š|
| 46 | T | 75.4 | Confident | 79.3 | Confident | 103 Ų | 103 | 90.6 Ų | 90.6 | 63% | 0.632 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -111.2 | 133.4 | 175.8 | 48.8 | 0 | 0 | 0 | 0 | 109.9 | P44 | P44-T46 PolarHBondContact O-N 2.08Š|
| 47 | P | 76.8 | Confident | 80.1 | Confident | 103 Ų | 103 | 87.9 Ų | 87.9 | 67% | 0.669 | 56% | 0.564 | S | S | * | * | trans | -64 | 141.9 | 176.9 | 24.4 | -31.1 | 0 | 0 | 0 | 110.6 | ||||
| 48 | P | 85.4 | Confident | 81.2 | Confident | 45 Ų | 45 | 86.3 Ų | 86.3 | 29% | 0.292 | 55% | 0.549 | S | S | . | . | trans | -66.1 | 141.1 | -176.9 | 28.8 | -36 | 0 | 0 | 0 | 111.2 | C50 A56 P65 | P48-C50 PolarHBondContact O-N 2.98Å; P48-A56 HydrophobicContact CG-CB 4.27Å; P48-P65 HydrophobicContact CG-CB 4.41Å | ||
| 49 | T | 91.1 | Very high | 81.9 | Confident | 146 Ų | 146 | 79.2 Ų | 79.2 | 90% | 0.896 | 52% | 0.516 | S | S | * | . | trans | -87.8 | 105 | 170.5 | -54.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 50 | C | 90.9 | Very high | 82.1 | Confident | 31 Ų | 31 | 78.5 Ų | 78.5 | 21% | 0.209 | 52% | 0.519 | C | S | . | . | P | Polyproline II helix | trans | -86.9 | 159.5 | -178.8 | -55.9 | 0 | 0 | 0 | 0 | 112.2 | P48 V54 C67 | P48-C50 PolarHBondContact O-N 2.98Å; C50-V54 HydrophobicContact CB-CB 4.08Å; C50-V54 HydrophobicContact CB-CG1 4.03Å; C50-V54 VanDerWaalsContact CB-O 3.26Å; C50-V54 WeakPolarHBondContact CB-O 3.47Å; C50-C67 WeakPolarHBondContact CA-SG 3.12Å; C50-C67 HydrophobicContact CB-CB 3.93Å; C50-C67 WeakPolarHBondContact CB-SG 3.17Å; C50-C67 WeakPolarHBondContact SG-CA 3.16Å; C50-C67 WeakPolarHBondContact SG-CB 3.31Å; C50-C67 CovalentContact SG-SG 2.05Å; C50-C67 PolarHBondContact SG-SG 2.84Å |
| 51 | A | 91.1 | Very high | 82.7 | Confident | 63 Ų | 63 | 77.2 Ų | 77.2 | 52% | 0.521 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 157 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | G53 V54 | A51-G53 PolarHBondContact O-N 3.23Å; A51-V54 HydrophobicContact CB-CB 4.44Å; A51-V54 HydrophobicContact CB-CG2 4.04Å; A51-V54 WeakPolarHBondContact O-CB 3.25Å; A51-V54 PolarHBondContact O-N 3.14Å |
| 52 | P | 88.7 | Confident | 83.4 | Confident | 136 Ų | 136 | 77.1 Ų | 77.1 | 88% | 0.883 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 128 | 178.3 | -25.1 | 34.5 | 0 | 0 | 0 | 112.2 | V54 | P52-V54 VanDerWaalsContact C-N 3.27Å; P52-V54 PolarHBondContact O-N 3.44Å |
| 53 | G | 83.4 | Confident | 84.1 | Confident | 80 Ų | 80 | 70.1 Ų | 70.1 | 83% | 0.825 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.5 | -6.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115 | A51 | A51-G53 PolarHBondContact O-N 3.23Š|
| 54 | V | 91.3 | Very high | 84.7 | Confident | 31 Ų | 31 | 69.1 Ų | 69.1 | 19% | 0.188 | 46% | 0.459 | C | S | . | . | P | Polyproline II helix | trans | -96 | 125.6 | 174.2 | -179.3 | 0 | 0 | 0 | 0 | 109.6 | C50 A51 P52 C67 A68 Q70 | C50-V54 HydrophobicContact CB-CB 4.08Å; C50-V54 HydrophobicContact CB-CG1 4.03Å; C50-V54 VanDerWaalsContact CB-O 3.26Å; C50-V54 WeakPolarHBondContact CB-O 3.47Å; A51-V54 HydrophobicContact CB-CB 4.44Å; A51-V54 HydrophobicContact CB-CG2 4.04Å; A51-V54 WeakPolarHBondContact O-CB 3.25Å; A51-V54 PolarHBondContact O-N 3.14Å; P52-V54 VanDerWaalsContact C-N 3.27Å; P52-V54 PolarHBondContact O-N 3.44Å; V54-C67 HydrophobicContact CG1-CB 4.2Å; V54-A68 VanDerWaalsContact CG1-O 3.25Å; V54-A68 WeakPolarHBondContact CG1-O 3.21Å; V54-Q70 HydrophobicContact CG2-CG 3.78Å |
| 55 | R | 89.2 | Confident | 85.3 | Confident | 95 Ų | 95 | 67.2 Ų | 67.2 | 36% | 0.358 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -88.9 | 154.6 | 177.1 | 64 | 171.4 | -178 | 122.2 | 4.9 | 112.2 | V57 A68 D82 S84 | R55-V57 HydrophobicContact CG-CG1 4.03Å; R55-A68 HydrophobicContact CG-CB 4.22Å; R55-A68 WeakPolarHBondContact O-CB 3.06Å; R55-A68 PolarHBondContact O-N 2.97Å; R55-D82 IonicContact CZ-OD1 2.78Å; R55-D82 IonicContact NE-OD1 3.58Å; R55-D82 PolarHBondContact NE-OD1 3.39Å; R55-D82 IonicContact NE-OD2 2.73Å; R55-D82 IonicContact NH2-OD1 3.56Å; R55-D82 PolarHBondContact NH2-OD1 3.26Å; R55-S84 WeakPolarHBondContact CD-OG 3.07Å; R55-S84 PolarHBondContact NE-OG 3.04Å; R55-S84 VanDerWaalsContact NH2-N 3.16Å |
| 56 | A | 91.5 | Very high | 86.3 | Confident | 55 Ų | 55 | 61.8 Ų | 61.8 | 46% | 0.455 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 134.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | P48 V66 | P48-A56 HydrophobicContact CG-CB 4.27Å; A56-V66 CarbonylContact C-O 3.52Å; A56-V66 WeakPolarHBondContact CA-O 3.34Å |
| 57 | V | 91.1 | Very high | 87.1 | Confident | 16 Ų | 16 | 59 Ų | 59 | 10% | 0.097 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 164.6 | 178.4 | -64.7 | 0 | 0 | 0 | 0 | 109.6 | R55 P65 V66 A68 P80 | R55-V57 HydrophobicContact CG-CG1 4.03Å; V57-P65 CarbonylContact O-C 3.56Å; V57-P65 WeakPolarHBondContact O-CA 2.92Å; V57-V66 HydrophobicContact CG2-CG2 4.1Å; V57-V66 PolarHBondContact N-O 2.7Å; V57-V66 PolarHBondContact O-N 2.04Å; V57-A68 HydrophobicContact CB-CB 4.44Å; V57-A68 HydrophobicContact CG1-CB 3.8Å; V57-A68 HydrophobicContact CG2-CB 3.75Å; V57-P80 HydrophobicContact CG2-CG 3.86Å |
| 58 | L | 89.4 | Confident | 87.9 | Confident | 92 Ų | 92 | 54.3 Ų | 54.3 | 48% | 0.482 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 150.8 | 170.9 | -60.1 | 175.7 | 0 | 0 | 0 | 109.8 | C64 P80 | L58-C64 WeakPolarHBondContact CA-O 3.06Å; L58-P80 VanDerWaalsContact O-CG 3.24Å; L58-P80 WeakPolarHBondContact O-CG 3.39Å |
| 59 | D | 86.6 | Confident | 88.3 | Confident | 13 Ų | 13 | 55.4 Ų | 55.4 | 7% | 0.07 | 37% | 0.366 | C | S | . | . | trans | -58.1 | 169.5 | 166.1 | 64.7 | 33.8 | 0 | 0 | 0 | 112 | C61 S62 C63 C64 | D59-C61 PolarHBondContact O-N 2.86Å; D59-C61 VanDerWaalsContact O-N 3.14Å; D59-C61 WeakPolarHBondContact OD1-CA 3.47Å; D59-C61 PolarHBondContact OD1-N 3.04Å; D59-S62 WeakPolarHBondContact O-CA 3.28Å; D59-S62 PolarHBondContact O-N 3.07Å; D59-S62 PolarHBondContact OD1-N 3.29Å; D59-C63 PolarHBondContact OD1-N 2.83Å; D59-C64 PolarHBondContact N-O 3.37Å; D59-C64 WeakPolarHBondContact OD2-CB 3.49Å; D59-C64 PolarHBondContact OD2-N 3.49Å | ||
| 60 | G | 76 | Confident | 88.5 | Confident | 48 Ų | 48 | 50.8 Ų | 50.8 | 50% | 0.495 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -10.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | D77 | G60-D77 WeakPolarHBondContact CA-O 3.35Å; G60-D77 PolarHBondContact N-O 3.42Å |
| 61 | C | 81.1 | Confident | 88.5 | Confident | 36 Ų | 36 | 58.4 Ų | 58.4 | 24% | 0.243 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 4.1 | 168.1 | -65.5 | 0 | 0 | 0 | 0 | 112.7 | C35 D59 C63 | C35-C61 HydrophobicContact CB-CB 3.71Å; C35-C61 WeakPolarHBondContact CB-SG 3.49Å; C35-C61 WeakPolarHBondContact SG-CA 3.48Å; C35-C61 WeakPolarHBondContact SG-CB 3.35Å; C35-C61 CovalentContact SG-SG 2.04Å; C35-C61 PolarHBondContact SG-SG 2.06Å; D59-C61 PolarHBondContact O-N 2.86Å; D59-C61 VanDerWaalsContact O-N 3.14Å; D59-C61 WeakPolarHBondContact OD1-CA 3.47Å; D59-C61 PolarHBondContact OD1-N 3.04Å; C61-C63 PolarHBondContact O-N 3.04Å |
| 62 | S | 82.4 | Confident | 88.4 | Confident | 87 Ų | 87 | 58 Ų | 58 | 61% | 0.608 | 36% | 0.36 | S | S | * | . | S | Bend | trans | 57.4 | 34.7 | -176.9 | -58.4 | 0 | 0 | 0 | 0 | 113.6 | D59 | D59-S62 WeakPolarHBondContact O-CA 3.28Å; D59-S62 PolarHBondContact O-N 3.07Å; D59-S62 PolarHBondContact OD1-N 3.29Å |
| 63 | C | 84.8 | Confident | 88.6 | Confident | 22 Ų | 22 | 55.4 Ų | 55.4 | 15% | 0.149 | 34% | 0.336 | C | S | . | . | trans | -104.7 | -69.1 | -173.2 | -76.7 | 0 | 0 | 0 | 0 | 113 | C39 D59 C61 | C39-C63 WeakPolarHBondContact CA-SG 3.1Å; C39-C63 HydrophobicContact CB-CB 3.64Å; C39-C63 WeakPolarHBondContact CB-SG 3.49Å; C39-C63 WeakPolarHBondContact SG-CA 3.01Å; C39-C63 WeakPolarHBondContact SG-CB 3.36Å; C39-C63 CovalentContact SG-SG 2.04Å; C39-C63 PolarHBondContact SG-SG 2.96Å; D59-C63 PolarHBondContact OD1-N 2.83Å; C61-C63 PolarHBondContact O-N 3.04Å | ||
| 64 | C | 86.5 | Confident | 89 | Confident | 19 Ų | 19 | 55.3 Ų | 55.3 | 13% | 0.128 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -102.2 | 142.6 | -171.9 | -55.3 | 0 | 0 | 0 | 0 | 111.8 | C43 L58 D59 V66 | C43-C64 WeakPolarHBondContact CA-SG 3.42Å; C43-C64 HydrophobicContact CB-CB 3.82Å; C43-C64 WeakPolarHBondContact CB-SG 3.3Å; C43-C64 WeakPolarHBondContact SG-CA 3.42Å; C43-C64 WeakPolarHBondContact SG-CB 3.47Å; C43-C64 CovalentContact SG-SG 2.04Å; C43-C64 PolarHBondContact SG-SG 2.95Å; L58-C64 WeakPolarHBondContact CA-O 3.06Å; D59-C64 PolarHBondContact N-O 3.37Å; D59-C64 WeakPolarHBondContact OD2-CB 3.49Å; D59-C64 PolarHBondContact OD2-N 3.49Å; C64-V66 PolarHBondContact O-N 2.91Å |
| 65 | P | 88.8 | Confident | 89.1 | Confident | 42 Ų | 42 | 54 Ų | 54 | 27% | 0.273 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 125.9 | 171.6 | 30.6 | -32.9 | 0 | 0 | 0 | 110.3 | P48 V57 | P48-P65 HydrophobicContact CG-CB 4.41Å; V57-P65 CarbonylContact O-C 3.56Å; V57-P65 WeakPolarHBondContact O-CA 2.92Å |
| 66 | V | 90.8 | Very high | 89.1 | Confident | 35 Ų | 35 | 50.5 Ų | 50.5 | 21% | 0.212 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 159.1 | 178.4 | -62.7 | 0 | 0 | 0 | 0 | 109.7 | A56 V57 C64 P80 | A56-V66 CarbonylContact C-O 3.52Å; A56-V66 WeakPolarHBondContact CA-O 3.34Å; V57-V66 HydrophobicContact CG2-CG2 4.1Å; V57-V66 PolarHBondContact N-O 2.7Å; V57-V66 PolarHBondContact O-N 2.04Å; C64-V66 PolarHBondContact O-N 2.91Å; V66-P80 HydrophobicContact CG2-CG 4.34Å |
| 67 | C | 92.8 | Very high | 88.8 | Confident | 45 Ų | 45 | 51.2 Ų | 51.2 | 30% | 0.304 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 132.8 | 174.2 | -64.8 | 0 | 0 | 0 | 0 | 110.3 | C50 V54 R69 | C50-C67 WeakPolarHBondContact CA-SG 3.12Å; C50-C67 HydrophobicContact CB-CB 3.93Å; C50-C67 WeakPolarHBondContact CB-SG 3.17Å; C50-C67 WeakPolarHBondContact SG-CA 3.16Å; C50-C67 WeakPolarHBondContact SG-CB 3.31Å; C50-C67 CovalentContact SG-SG 2.05Å; C50-C67 PolarHBondContact SG-SG 2.84Å; V54-C67 HydrophobicContact CG1-CB 4.2Å; C67-R69 PolarHBondContact O-N 3.5Å |
| 68 | A | 93.8 | Very high | 88.6 | Confident | 3 Ų | 3 | 55.8 Ų | 55.8 | 3% | 0.025 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 129.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | V54 R55 V57 Q70 D82 | V54-A68 VanDerWaalsContact CG1-O 3.25Å; V54-A68 WeakPolarHBondContact CG1-O 3.21Å; R55-A68 HydrophobicContact CG-CB 4.22Å; R55-A68 WeakPolarHBondContact O-CB 3.06Å; R55-A68 PolarHBondContact O-N 2.97Å; V57-A68 HydrophobicContact CB-CB 4.44Å; V57-A68 HydrophobicContact CG1-CB 3.8Å; V57-A68 HydrophobicContact CG2-CB 3.75Å; A68-Q70 PolarHBondContact O-NE2 3.37Å; A68-D82 HydrophobicContact CB-CB 3.68Å |
| 69 | R | 94.1 | Very high | 88.6 | Confident | 69 Ų | 69 | 55 Ų | 55 | 26% | 0.26 | 32% | 0.319 | S | S | . | . | B | Isolated β-bridge | trans | -67.3 | 138.6 | 176.2 | -64.5 | -62.2 | -164.7 | -169.3 | 0.6 | 111.1 | C67 E73 S74 E79 P80 C81 D82 C102 | C67-R69 PolarHBondContact O-N 3.5Å; R69-E73 VanDerWaalsContact CA-OE2 3.28Å; R69-E73 WeakPolarHBondContact CA-OE2 3.49Å; R69-E73 HydrophobicContact CB-CB 4.31Å; R69-E73 WeakPolarHBondContact CD-OE2 3.4Å; R69-S74 PolarHBondContact NE-O 2.9Å; R69-E79 HydrophobicContact CG-CB 4.12Å; R69-E79 WeakPolarHBondContact CG-O 3.36Å; R69-E79 IonicContact CZ-OE1 3.62Å; R69-E79 IonicContact CZ-OE2 2.68Å; R69-E79 IonicContact NE-OE2 2.84Å; R69-E79 IonicContact NH2-OE1 2.65Å; R69-E79 PolarHBondContact NH2-OE1 2.8Å; R69-E79 IonicContact NH2-OE2 2.99Å; R69-E79 PolarHBondContact NH2-OE2 2.02Å; R69-P80 PolarHBondContact N-O 2.86Å; R69-C81 CarbonylContact O-C 3.59Å; R69-C81 WeakPolarHBondContact O-CA 3.47Å; R69-D82 PolarHBondContact O-N 2.94Å; R69-C102 WeakPolarHBondContact CB-SG 3.39Å |
| 70 | Q | 93.8 | Very high | 88.8 | Confident | 48 Ų | 48 | 55.6 Ų | 55.6 | 22% | 0.224 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -98.1 | 170.4 | -175.7 | -59.1 | -57.9 | -56.6 | 0 | 0 | 111.8 | V54 A68 G72 E73 C102 | V54-Q70 HydrophobicContact CG2-CG 3.78Å; A68-Q70 PolarHBondContact O-NE2 3.37Å; Q70-G72 PolarHBondContact O-N 3.41Å; Q70-E73 HydrophobicContact CB-CG 4.36Å; Q70-E73 PolarHBondContact N-OE2 3.42Å; Q70-E73 VanDerWaalsContact O-CB 3.31Å; Q70-E73 WeakPolarHBondContact O-CB 3.38Å; Q70-E73 WeakPolarHBondContact O-CG 3.32Å; Q70-E73 PolarHBondContact O-N 2.89Å; Q70-C102 WeakPolarHBondContact O-CB 3.43Å |
| 71 | R | 91.3 | Very high | 89.7 | Confident | 192 Ų | 192 | 53.6 Ų | 53.6 | 73% | 0.725 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 126.5 | -175.8 | -174.9 | -177.9 | 178.9 | -179.8 | 2.9 | 111.2 | E73 L87 | R71-E73 VanDerWaalsContact C-N 3.32Å; R71-L87 HydrophobicContact CB-CD1 4.26Å; R71-L87 HydrophobicContact CB-CD2 3.9Å; R71-L87 HydrophobicContact CG-CD2 4.31Å; R71-L87 VanDerWaalsContact N-CD1 3.27Å |
| 72 | G | 89.1 | Confident | 90.2 | Very high | 55 Ų | 55 | 52 Ų | 52 | 57% | 0.567 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.9 | -3.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | Q70 C102 | Q70-G72 PolarHBondContact O-N 3.41Å; G72-C102 PolarHBondContact N-O 2.94Å |
| 73 | E | 93.2 | Very high | 90.4 | Very high | 80 Ų | 80 | 55.2 Ų | 55.2 | 37% | 0.374 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -80.9 | 154.1 | 174.2 | -62.1 | -173.2 | 154.7 | 0 | 0 | 111.8 | R69 Q70 R71 I101 C102 | R69-E73 VanDerWaalsContact CA-OE2 3.28Å; R69-E73 WeakPolarHBondContact CA-OE2 3.49Å; R69-E73 HydrophobicContact CB-CB 4.31Å; R69-E73 WeakPolarHBondContact CD-OE2 3.4Å; Q70-E73 HydrophobicContact CB-CG 4.36Å; Q70-E73 PolarHBondContact N-OE2 3.42Å; Q70-E73 VanDerWaalsContact O-CB 3.31Å; Q70-E73 WeakPolarHBondContact O-CB 3.38Å; Q70-E73 WeakPolarHBondContact O-CG 3.32Å; Q70-E73 PolarHBondContact O-N 2.89Å; R71-E73 VanDerWaalsContact C-N 3.32Å; E73-I101 WeakPolarHBondContact O-CA 3.43Å; E73-C102 PolarHBondContact O-N 2.82Å |
| 74 | S | 92.3 | Very high | 90.3 | Very high | 79 Ų | 79 | 58.2 Ų | 58.2 | 55% | 0.552 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 133.9 | 171.6 | 57.2 | 0 | 0 | 0 | 0 | 110.8 | R69 G100 | R69-S74 PolarHBondContact NE-O 2.9Å; S74-G100 CarbonylContact C-O 3.59Å; S74-G100 WeakPolarHBondContact CA-O 3.44Å |
| 75 | C | 92.3 | Very high | 90 | Very high | 2 Ų | 2 | 60.7 Ų | 60.7 | 1% | 0.014 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 156.3 | -179.4 | 54.5 | 0 | 0 | 0 | 0 | 112 | E79 C81 C89 T99 G100 I101 C102 | C75-E79 WeakPolarHBondContact CA-O 3.41Å; C75-E79 WeakPolarHBondContact CB-O 3.41Å; C75-C81 WeakPolarHBondContact CB-SG 3.44Å; C75-C89 HydrophobicContact CB-CB 3.85Å; C75-C89 WeakPolarHBondContact CB-SG 3.38Å; C75-C89 WeakPolarHBondContact SG-CA 3.38Å; C75-C89 WeakPolarHBondContact SG-CB 3.36Å; C75-C89 CovalentContact SG-SG 2.02Å; C75-C89 PolarHBondContact SG-SG 3.33Å; C75-T99 CarbonylContact O-C 3.36Å; C75-T99 WeakPolarHBondContact O-CA 3.49Å; C75-G100 PolarHBondContact N-O 2.75Å; C75-G100 PolarHBondContact O-N 3.35Å; C75-G100 PolarHBondContact SG-O 2.74Å; C75-G100 VanDerWaalsContact SG-O 3.4Å; C75-I101 PolarHBondContact SG-N 3.22Å; C75-C102 VanDerWaalsContact CB-SG 3.56Å |
| 76 | S | 89.5 | Confident | 89.7 | Confident | 22 Ų | 22 | 60.3 Ų | 60.3 | 15% | 0.154 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 178.3 | 176.7 | 68.6 | 0 | 0 | 0 | 0 | 110.1 | L78 E79 | S76-L78 PolarHBondContact O-N 2.69Å; S76-L78 PolarHBondContact OG-N 3.39Å; S76-E79 PolarHBondContact N-O 3.48Å; S76-E79 CarbonylContact O-C 3.45Å; S76-E79 PolarHBondContact O-N 2.04Å; S76-E79 VanDerWaalsContact O-N 3.15Å; S76-E79 PolarHBondContact OG-N 2.87Å |
| 77 | D | 85.3 | Confident | 89.6 | Confident | 70 Ų | 70 | 59.1 Ų | 59.1 | 37% | 0.374 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -61.8 | -26.2 | 172.8 | -67.5 | -13.7 | 0 | 0 | 0 | 112.1 | G60 R91 | G60-D77 WeakPolarHBondContact CA-O 3.35Å; G60-D77 PolarHBondContact N-O 3.42Å; D77-R91 IonicContact OD1-CZ 3.83Å; D77-R91 IonicContact OD1-NH2 3.75Å; D77-R91 PolarHBondContact OD1-NH2 2.92Å |
| 78 | L | 86 | Confident | 89.5 | Confident | 112 Ų | 112 | 61.8 Ų | 61.8 | 59% | 0.586 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -88.9 | -17.8 | 176.8 | -65.1 | 173.6 | 0 | 0 | 0 | 112.9 | S76 | S76-L78 PolarHBondContact O-N 2.69Å; S76-L78 PolarHBondContact OG-N 3.39Å |
| 79 | E | 89.9 | Confident | 89.3 | Confident | 77 Ų | 77 | 62.8 Ų | 62.8 | 36% | 0.36 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -133 | 76.5 | -175.4 | -59.1 | -173.8 | 132.3 | 0 | 0 | 109.6 | R69 C75 S76 | R69-E79 HydrophobicContact CG-CB 4.12Å; R69-E79 WeakPolarHBondContact CG-O 3.36Å; R69-E79 IonicContact CZ-OE1 3.62Å; R69-E79 IonicContact CZ-OE2 2.68Å; R69-E79 IonicContact NE-OE2 2.84Å; R69-E79 IonicContact NH2-OE1 2.65Å; R69-E79 PolarHBondContact NH2-OE1 2.8Å; R69-E79 IonicContact NH2-OE2 2.99Å; R69-E79 PolarHBondContact NH2-OE2 2.02Å; C75-E79 WeakPolarHBondContact CA-O 3.41Å; C75-E79 WeakPolarHBondContact CB-O 3.41Å; S76-E79 PolarHBondContact N-O 3.48Å; S76-E79 CarbonylContact O-C 3.45Å; S76-E79 PolarHBondContact O-N 2.04Å; S76-E79 VanDerWaalsContact O-N 3.15Å; S76-E79 PolarHBondContact OG-N 2.87Å |
| 80 | P | 92 | Very high | 89.2 | Confident | 24 Ų | 24 | 61.3 Ų | 61.3 | 16% | 0.156 | 34% | 0.339 | C | S | . | . | trans | -77.7 | 154.2 | -173.5 | 28.2 | -29.9 | 0 | 0 | 0 | 112.5 | V57 L58 V66 R69 | V57-P80 HydrophobicContact CG2-CG 3.86Å; L58-P80 VanDerWaalsContact O-CG 3.24Å; L58-P80 WeakPolarHBondContact O-CG 3.39Å; V66-P80 HydrophobicContact CG2-CG 4.34Å; R69-P80 PolarHBondContact N-O 2.86Å | ||
| 81 | C | 93.2 | Very high | 89 | Confident | 6 Ų | 6 | 61.9 Ų | 61.9 | 4% | 0.041 | 34% | 0.339 | C | S | . | . | B | Isolated β-bridge | trans | -70.2 | 159.7 | 174.7 | -56.3 | 0 | 0 | 0 | 0 | 112.4 | R69 C75 E83 L87 C102 | R69-C81 CarbonylContact O-C 3.59Å; R69-C81 WeakPolarHBondContact O-CA 3.47Å; C75-C81 WeakPolarHBondContact CB-SG 3.44Å; C81-E83 PolarHBondContact O-N 2.76Å; C81-L87 HydrophobicContact CB-CB 3.88Å; C81-C102 VanDerWaalsContact CA-SG 3.53Å; C81-C102 HydrophobicContact CB-CB 3.9Å; C81-C102 WeakPolarHBondContact CB-SG 3.5Å; C81-C102 WeakPolarHBondContact SG-CA 3.06Å; C81-C102 WeakPolarHBondContact SG-CB 3.19Å; C81-C102 CovalentContact SG-SG 2.03Å; C81-C102 PolarHBondContact SG-SG 3.46Å |
| 82 | D | 92.2 | Very high | 88.6 | Confident | 3 Ų | 3 | 57.9 Ų | 57.9 | 2% | 0.016 | 34% | 0.341 | C | S | . | . | trans | -73.5 | 87 | 172.3 | -170.3 | -7.6 | 0 | 0 | 0 | 112.4 | R55 A68 R69 S84 S85 L87 | R55-D82 IonicContact CZ-OD1 2.78Å; R55-D82 IonicContact NE-OD1 3.58Å; R55-D82 PolarHBondContact NE-OD1 3.39Å; R55-D82 IonicContact NE-OD2 2.73Å; R55-D82 IonicContact NH2-OD1 3.56Å; R55-D82 PolarHBondContact NH2-OD1 3.26Å; A68-D82 HydrophobicContact CB-CB 3.68Å; R69-D82 PolarHBondContact O-N 2.94Å; D82-S84 VanDerWaalsContact C-N 3.28Å; D82-S84 PolarHBondContact O-N 3.31Å; D82-S84 PolarHBondContact OD1-N 2.93Å; D82-S84 VanDerWaalsContact OD1-N 3.09Å; D82-S84 PolarHBondContact OD1-OG 3.3Å; D82-S85 VanDerWaalsContact CG-OG 3.22Å; D82-S85 PolarHBondContact O-N 3.01Å; D82-S85 VanDerWaalsContact O-N 3.07Å; D82-S85 PolarHBondContact OD1-N 3.06Å; D82-S85 WeakPolarHBondContact OD2-CB 3.47Å; D82-S85 PolarHBondContact OD2-OG 2.94Å; D82-L87 HydrophobicContact CB-CD1 4.23Å; D82-L87 WeakPolarHBondContact O-CB 2.96Å; D82-L87 PolarHBondContact O-N 3.33Å; D82-L87 VanDerWaalsContact O-N 3.13Å | ||
| 83 | E | 86.3 | Confident | 88 | Confident | 154 Ų | 154 | 60 Ų | 60 | 72% | 0.72 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -59.4 | -33.5 | 176.6 | -65.3 | -174 | 164.1 | 0 | 0 | 113.9 | C81 S85 G86 L87 | C81-E83 PolarHBondContact O-N 2.76Å; E83-S85 PolarHBondContact O-N 2.68Å; E83-G86 WeakPolarHBondContact O-CA 3.37Å; E83-G86 PolarHBondContact O-N 3.44Å; E83-L87 WeakPolarHBondContact CA-O 3.24Å |
| 84 | S | 82.6 | Confident | 87.2 | Confident | 85 Ų | 85 | 57.7 Ų | 57.7 | 59% | 0.594 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -68 | -23.4 | 177.4 | 75.7 | 0 | 0 | 0 | 0 | 113.2 | R55 D82 G86 | R55-S84 WeakPolarHBondContact CD-OG 3.07Å; R55-S84 PolarHBondContact NE-OG 3.04Å; R55-S84 VanDerWaalsContact NH2-N 3.16Å; D82-S84 VanDerWaalsContact C-N 3.28Å; D82-S84 PolarHBondContact O-N 3.31Å; D82-S84 PolarHBondContact OD1-N 2.93Å; D82-S84 VanDerWaalsContact OD1-N 3.09Å; D82-S84 PolarHBondContact OD1-OG 3.3Å; S84-G86 VanDerWaalsContact C-N 3.25Å |
| 85 | S | 80.3 | Confident | 86.3 | Confident | 72 Ų | 72 | 60.6 Ų | 60.6 | 50% | 0.503 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -90 | 11.2 | 171.8 | -64.9 | 0 | 0 | 0 | 0 | 112 | D82 E83 | D82-S85 VanDerWaalsContact CG-OG 3.22Å; D82-S85 PolarHBondContact O-N 3.01Å; D82-S85 VanDerWaalsContact O-N 3.07Å; D82-S85 PolarHBondContact OD1-N 3.06Å; D82-S85 WeakPolarHBondContact OD2-CB 3.47Å; D82-S85 PolarHBondContact OD2-OG 2.94Å; E83-S85 PolarHBondContact O-N 2.68Å |
| 86 | G | 82 | Confident | 85.6 | Confident | 33 Ų | 33 | 63.6 Ų | 63.6 | 34% | 0.34 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 27.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | E83 S84 A104 V105 | E83-G86 WeakPolarHBondContact O-CA 3.37Å; E83-G86 PolarHBondContact O-N 3.44Å; S84-G86 VanDerWaalsContact C-N 3.25Å; G86-A104 WeakPolarHBondContact O-CA 3.46Å; G86-V105 PolarHBondContact O-N 2.05Å |
| 87 | L | 89.4 | Confident | 85 | Confident | 11 Ų | 11 | 67 Ų | 67 | 6% | 0.058 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 139.2 | 178.2 | -54.5 | 179.5 | 0 | 0 | 0 | 111.5 | R71 C81 D82 E83 M103 A104 | R71-L87 HydrophobicContact CB-CD1 4.26Å; R71-L87 HydrophobicContact CB-CD2 3.9Å; R71-L87 HydrophobicContact CG-CD2 4.31Å; R71-L87 VanDerWaalsContact N-CD1 3.27Å; C81-L87 HydrophobicContact CB-CB 3.88Å; D82-L87 HydrophobicContact CB-CD1 4.23Å; D82-L87 WeakPolarHBondContact O-CB 2.96Å; D82-L87 PolarHBondContact O-N 3.33Å; D82-L87 VanDerWaalsContact O-N 3.13Å; E83-L87 WeakPolarHBondContact CA-O 3.24Å; L87-M103 CarbonylContact C-O 3.57Å; L87-M103 VanDerWaalsContact CA-O 3.26Å; L87-M103 WeakPolarHBondContact CA-O 3.04Å; L87-A104 HydrophobicContact CD2-CB 4.04Å |
| 88 | Y | 90.2 | Very high | 84.8 | Confident | 101 Ų | 101 | 70 Ų | 70 | 40% | 0.396 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 153.1 | 171.6 | 78 | -79.9 | 0 | 0 | 0 | 110.5 | D90 C102 M103 V105 | Y88-D90 HydrophobicContact CE2-CB 3.81Å; Y88-D90 PolarHBondContact O-N 2.78Å; Y88-C102 CarbonylContact O-C 3.56Å; Y88-C102 WeakPolarHBondContact O-CA 3.44Å; Y88-M103 HydrophobicContact CD1-CB 4.36Å; Y88-M103 WeakPolarHBondContact CD1-O 3.27Å; Y88-M103 HydrophobicContact CE1-CB 3.8Å; Y88-M103 PolarHBondContact N-O 3.03Å; Y88-M103 PolarHBondContact O-N 3.14Å; Y88-M103 VanDerWaalsContact OH-CE 3.28Å; Y88-M103 WeakPolarHBondContact OH-CE 3.01Å; Y88-V105 HydrophobicContact CD1-CB 4.46Å; Y88-V105 HydrophobicContact CD1-CG2 3.62Å; Y88-V105 HydrophobicContact CE1-CG2 4.39Å; Y88-V105 HydrophobicContact CG-CG2 4.35Å |
| 89 | C | 91.3 | Very high | 84.8 | Confident | 23 Ų | 23 | 68.4 Ų | 68.4 | 16% | 0.155 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 103.1 | 179.8 | -171.4 | 0 | 0 | 0 | 0 | 110.5 | C75 R91 | C75-C89 HydrophobicContact CB-CB 3.85Å; C75-C89 WeakPolarHBondContact CB-SG 3.38Å; C75-C89 WeakPolarHBondContact SG-CA 3.38Å; C75-C89 WeakPolarHBondContact SG-CB 3.36Å; C75-C89 CovalentContact SG-SG 2.02Å; C75-C89 PolarHBondContact SG-SG 3.33Å; C89-R91 PolarHBondContact O-N 3.44Å |
| 90 | D | 91 | Very high | 84.9 | Confident | 38 Ų | 38 | 65.3 Ų | 65.3 | 20% | 0.203 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 112.6 | 175.6 | -175.3 | 12.7 | 0 | 0 | 0 | 110.9 | Y88 S92 G100 I101 M103 | Y88-D90 HydrophobicContact CE2-CB 3.81Å; Y88-D90 PolarHBondContact O-N 2.78Å; D90-S92 WeakPolarHBondContact OD1-CB 2.99Å; D90-S92 PolarHBondContact OD1-N 3.28Å; D90-S92 PolarHBondContact OD1-OG 2.97Å; D90-G100 CarbonylContact O-C 3.58Å; D90-G100 WeakPolarHBondContact O-CA 3.03Å; D90-I101 PolarHBondContact N-O 3.31Å; D90-I101 PolarHBondContact O-N 2.68Å; D90-M103 HydrophobicContact CB-CB 4.43Å; D90-M103 HydrophobicContact CB-CE 3.81Å; D90-M103 HydrophobicContact CB-CG 3.86Å; D90-M103 HydrophobicContact CB-SD 4.4Å; D90-M103 WeakPolarHBondContact OD2-CE 3.29Å |
| 91 | R | 89.1 | Confident | 85 | Confident | 60 Ų | 60 | 68.6 Ų | 68.6 | 23% | 0.226 | 41% | 0.407 | C | S | . | . | trans | -101.3 | 9.1 | 179.7 | -59.4 | -177.9 | -179.3 | 79.3 | -8 | 112.8 | D77 C89 A93 D94 N97 | D77-R91 IonicContact OD1-CZ 3.83Å; D77-R91 IonicContact OD1-NH2 3.75Å; D77-R91 PolarHBondContact OD1-NH2 2.92Å; C89-R91 PolarHBondContact O-N 3.44Å; R91-A93 PolarHBondContact O-N 2.83Å; R91-D94 PolarHBondContact O-N 2.88Å; R91-N97 VanDerWaalsContact CB-OD1 3.23Å; R91-N97 WeakPolarHBondContact CB-OD1 3.34Å; R91-N97 WeakPolarHBondContact CD-O 3.28Å; R91-N97 WeakPolarHBondContact CD-OD1 3.43Å | ||
| 92 | S | 83.5 | Confident | 84.9 | Confident | 109 Ų | 109 | 68.3 Ų | 68.3 | 76% | 0.762 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -21.7 | -174.4 | -58.7 | 0 | 0 | 0 | 0 | 114.4 | D90 | D90-S92 WeakPolarHBondContact OD1-CB 2.99Å; D90-S92 PolarHBondContact OD1-N 3.28Å; D90-S92 PolarHBondContact OD1-OG 2.97Å |
| 93 | A | 76.6 | Confident | 84.7 | Confident | 98 Ų | 98 | 71.8 Ų | 71.8 | 81% | 0.81 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -11.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | R91 | R91-A93 PolarHBondContact O-N 2.83Š|
| 94 | D | 77.3 | Confident | 84.6 | Confident | 33 Ų | 33 | 66 Ų | 66 | 18% | 0.176 | 40% | 0.401 | C | S | . | . | trans | -106.6 | 111 | -175.4 | -179.1 | 7.8 | 0 | 0 | 0 | 111.7 | R91 S96 N97 Q98 T99 | R91-D94 PolarHBondContact O-N 2.88Å; D94-S96 PolarHBondContact O-N 2.91Å; D94-S96 VanDerWaalsContact O-N 3.17Å; D94-S96 WeakPolarHBondContact OD1-CB 3.46Å; D94-S96 PolarHBondContact OD1-N 2.94Å; D94-S96 PolarHBondContact OD1-OG 3.4Å; D94-S96 PolarHBondContact OD2-OG 2.89Å; D94-N97 PolarHBondContact O-N 2.83Å; D94-Q98 PolarHBondContact OD2-N 3.34Å; D94-T99 WeakPolarHBondContact CB-O 3.47Å; D94-T99 PolarHBondContact OD2-N 2.89Å; D94-T99 PolarHBondContact OD2-OG1 3.47Å | ||
| 95 | P | 72.2 | Confident | 84.2 | Confident | 139 Ų | 139 | 66.3 Ų | 66.3 | 90% | 0.903 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -17.5 | 178.2 | 25.1 | -31.5 | 0 | 0 | 0 | 113.6 | ||
| 96 | S | 78.3 | Confident | 83.7 | Confident | 65 Ų | 65 | 70.9 Ų | 70.9 | 46% | 0.455 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -12.5 | 174.7 | 77.1 | 0 | 0 | 0 | 0 | 113.4 | D94 Q98 | D94-S96 PolarHBondContact O-N 2.91Å; D94-S96 VanDerWaalsContact O-N 3.17Å; D94-S96 WeakPolarHBondContact OD1-CB 3.46Å; D94-S96 PolarHBondContact OD1-N 2.94Å; D94-S96 PolarHBondContact OD1-OG 3.4Å; D94-S96 PolarHBondContact OD2-OG 2.89Å; S96-Q98 PolarHBondContact O-N 2.77Å |
| 97 | N | 76.7 | Confident | 83 | Confident | 94 Ų | 94 | 70 Ų | 70 | 50% | 0.503 | 40% | 0.404 | S | S | . | . | S | Bend | trans | 53.8 | 28.7 | -176.7 | -161.5 | 26.9 | 0 | 0 | 0 | 113.6 | R91 D94 | R91-N97 VanDerWaalsContact CB-OD1 3.23Å; R91-N97 WeakPolarHBondContact CB-OD1 3.34Å; R91-N97 WeakPolarHBondContact CD-O 3.28Å; R91-N97 WeakPolarHBondContact CD-OD1 3.43Å; D94-N97 PolarHBondContact O-N 2.83Å |
| 98 | Q | 80.1 | Confident | 82.4 | Confident | 134 Ų | 134 | 74.9 Ų | 74.9 | 63% | 0.626 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -98.7 | -33.4 | -179 | -67.2 | -174.4 | -12 | 0 | 0 | 111.8 | D94 S96 | D94-Q98 PolarHBondContact OD2-N 3.34Å; S96-Q98 PolarHBondContact O-N 2.77Å |
| 99 | T | 87.8 | Confident | 82 | Confident | 78 Ų | 78 | 74.3 Ų | 74.3 | 48% | 0.479 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 150.2 | -174.9 | 55.4 | 0 | 0 | 0 | 0 | 111.1 | C75 D94 | C75-T99 CarbonylContact O-C 3.36Å; C75-T99 WeakPolarHBondContact O-CA 3.49Å; D94-T99 WeakPolarHBondContact CB-O 3.47Å; D94-T99 PolarHBondContact OD2-N 2.89Å; D94-T99 PolarHBondContact OD2-OG1 3.47Å |
| 100 | G | 91.8 | Very high | 81.8 | Confident | 11 Ų | 11 | 73.2 Ų | 73.2 | 11% | 0.113 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | -171.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S74 C75 D90 | S74-G100 CarbonylContact C-O 3.59Å; S74-G100 WeakPolarHBondContact CA-O 3.44Å; C75-G100 PolarHBondContact N-O 2.75Å; C75-G100 PolarHBondContact O-N 3.35Å; C75-G100 PolarHBondContact SG-O 2.74Å; C75-G100 VanDerWaalsContact SG-O 3.4Å; D90-G100 CarbonylContact O-C 3.58Å; D90-G100 WeakPolarHBondContact O-CA 3.03Å |
| 101 | I | 92.8 | Very high | 81.7 | Confident | 93 Ų | 93 | 76.2 Ų | 76.2 | 48% | 0.477 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 135.4 | 175.1 | -58.7 | 175.8 | 0 | 0 | 0 | 108.9 | E73 C75 D90 M103 | E73-I101 WeakPolarHBondContact O-CA 3.43Å; C75-I101 PolarHBondContact SG-N 3.22Å; D90-I101 PolarHBondContact N-O 3.31Å; D90-I101 PolarHBondContact O-N 2.68Å; I101-M103 PolarHBondContact O-N 3.3Å; I101-M103 VanDerWaalsContact O-N 3.11Å |
| 102 | C | 92.1 | Very high | 81.7 | Confident | 1 Ų | 1 | 77 Ų | 77 | 1% | 0.007 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 109.9 | 175.8 | -67.4 | 0 | 0 | 0 | 0 | 110.9 | R69 Q70 G72 E73 C75 C81 Y88 | R69-C102 WeakPolarHBondContact CB-SG 3.39Å; Q70-C102 WeakPolarHBondContact O-CB 3.43Å; G72-C102 PolarHBondContact N-O 2.94Å; E73-C102 PolarHBondContact O-N 2.82Å; C75-C102 VanDerWaalsContact CB-SG 3.56Å; C81-C102 VanDerWaalsContact CA-SG 3.53Å; C81-C102 HydrophobicContact CB-CB 3.9Å; C81-C102 WeakPolarHBondContact CB-SG 3.5Å; C81-C102 WeakPolarHBondContact SG-CA 3.06Å; C81-C102 WeakPolarHBondContact SG-CB 3.19Å; C81-C102 CovalentContact SG-SG 2.03Å; C81-C102 PolarHBondContact SG-SG 3.46Å; Y88-C102 CarbonylContact O-C 3.56Å; Y88-C102 WeakPolarHBondContact O-CA 3.44Å |
| 103 | M | 88.3 | Confident | 81.9 | Confident | 75 Ų | 75 | 79.1 Ų | 79.1 | 37% | 0.369 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 147.3 | 175.5 | -62.3 | -138.9 | -59.1 | 0 | 0 | 110 | L87 Y88 D90 I101 | L87-M103 CarbonylContact C-O 3.57Å; L87-M103 VanDerWaalsContact CA-O 3.26Å; L87-M103 WeakPolarHBondContact CA-O 3.04Å; Y88-M103 HydrophobicContact CD1-CB 4.36Å; Y88-M103 WeakPolarHBondContact CD1-O 3.27Å; Y88-M103 HydrophobicContact CE1-CB 3.8Å; Y88-M103 PolarHBondContact N-O 3.03Å; Y88-M103 PolarHBondContact O-N 3.14Å; Y88-M103 VanDerWaalsContact OH-CE 3.28Å; Y88-M103 WeakPolarHBondContact OH-CE 3.01Å; D90-M103 HydrophobicContact CB-CB 4.43Å; D90-M103 HydrophobicContact CB-CE 3.81Å; D90-M103 HydrophobicContact CB-CG 3.86Å; D90-M103 HydrophobicContact CB-SD 4.4Å; D90-M103 WeakPolarHBondContact OD2-CE 3.29Å; I101-M103 PolarHBondContact O-N 3.3Å; I101-M103 VanDerWaalsContact O-N 3.11Å |
| 104 | A | 82.7 | Confident | 82.3 | Confident | 33 Ų | 33 | 77.9 Ų | 77.9 | 27% | 0.273 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 136.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | G86 L87 E106 | G86-A104 WeakPolarHBondContact O-CA 3.46Å; L87-A104 HydrophobicContact CD2-CB 4.04Å; A104-E106 VanDerWaalsContact C-N 3.33Å; A104-E106 PolarHBondContact O-N 3.24Å |
| 105 | V | 74.2 | Confident | 82.9 | Confident | 92 Ų | 92 | 79.8 Ų | 79.8 | 56% | 0.558 | 46% | 0.464 | S | S | * | . | trans | -60.8 | 104.6 | 163.2 | -177.4 | 0 | 0 | 0 | 0 | 105.2 | G86 Y88 G107 | G86-V105 PolarHBondContact O-N 2.05Å; Y88-V105 HydrophobicContact CD1-CB 4.46Å; Y88-V105 HydrophobicContact CD1-CG2 3.62Å; Y88-V105 HydrophobicContact CE1-CG2 4.39Å; Y88-V105 HydrophobicContact CG-CG2 4.35Å; V105-G107 PolarHBondContact O-N 3.26Å; V105-G107 VanDerWaalsContact O-N 3.11Å | ||
| 106 | E | 70.4 | Confident | 83.6 | Confident | 167 Ų | 167 | 78.6 Ų | 78.6 | 78% | 0.78 | 45% | 0.449 | S | S | * | . | P | Polyproline II helix | trans | -61 | 117.1 | 166.7 | -69.5 | -169 | 163 | 0 | 0 | 105.6 | A104 D108 | A104-E106 VanDerWaalsContact C-N 3.33Å; A104-E106 PolarHBondContact O-N 3.24Å; E106-D108 PolarHBondContact O-N 2.93Å |
| 107 | G | 66.6 | Low | 84 | Confident | 15 Ų | 15 | 77.3 Ų | 77.3 | 16% | 0.155 | 43% | 0.434 | C | S | . | . | P | Polyproline II helix | trans | -54.4 | 136.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | V105 N109 S119 D135 | V105-G107 PolarHBondContact O-N 3.26Å; V105-G107 VanDerWaalsContact O-N 3.11Å; G107-N109 PolarHBondContact O-N 3.35Å; G107-S119 VanDerWaalsContact C-CB 3.47Å; G107-S119 VanDerWaalsContact CA-CB 3.45Å; G107-S119 VanDerWaalsContact O-CB 3.24Å; G107-S119 WeakPolarHBondContact O-CB 3.44Å; G107-D135 WeakPolarHBondContact CA-OD1 3.33Å |
| 108 | D | 77.4 | Confident | 84.6 | Confident | 114 Ų | 114 | 81.7 Ų | 81.7 | 61% | 0.61 | 44% | 0.443 | S | S | * | . | P | Polyproline II helix | trans | -50.1 | 136.4 | -178.9 | -73.2 | -34.1 | 0 | 0 | 0 | 110.6 | E106 D135 G136 | E106-D108 PolarHBondContact O-N 2.93Å; D108-D135 CarbonylContact O-C 3.19Å; D108-G136 WeakPolarHBondContact O-CA 3.28Å; D108-G136 PolarHBondContact O-N 3.01Å |
| 109 | N | 82.8 | Confident | 84.8 | Confident | 88 Ų | 88 | 77.3 Ų | 77.3 | 47% | 0.471 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 144.9 | 175 | -61.6 | -44.4 | 0 | 0 | 0 | 109.3 | G107 I116 Y117 R118 | G107-N109 PolarHBondContact O-N 3.35Å; N109-I116 HydrophobicContact CB-CG2 3.75Å; N109-Y117 CarbonylContact C-O 3.51Å; N109-Y117 WeakPolarHBondContact CA-O 3.33Å; N109-Y117 WeakPolarHBondContact CB-O 3.38Å; N109-R118 WeakPolarHBondContact OD1-CA 3.39Å |
| 110 | C | 86.9 | Confident | 84.6 | Confident | 1 Ų | 1 | 75.9 Ų | 75.9 | 1% | 0.007 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 146.9 | 174.8 | -50.3 | 0 | 0 | 0 | 0 | 110.1 | I116 Y117 C133 Q137 I138 | C110-I116 CarbonylContact O-C 3.52Å; C110-I116 WeakPolarHBondContact O-CA 3.44Å; C110-Y117 PolarHBondContact N-O 3.33Å; C110-Y117 PolarHBondContact O-N 3.01Å; C110-C133 HydrophobicContact CB-CB 3.7Å; C110-C133 WeakPolarHBondContact CB-SG 3.31Å; C110-C133 PolarHBondContact N-SG 2.03Å; C110-C133 WeakPolarHBondContact SG-CA 3.48Å; C110-C133 WeakPolarHBondContact SG-CB 3.46Å; C110-C133 CovalentContact SG-SG 2.03Å; C110-C133 PolarHBondContact SG-SG 3.18Å; C110-Q137 PolarHBondContact SG-O 3.18Å; C110-Q137 VanDerWaalsContact SG-O 3.38Å; C110-I138 HydrophobicContact CB-CD1 3.84Å; C110-I138 HydrophobicContact CB-CG1 3.51Å |
| 111 | V | 89 | Confident | 84.4 | Confident | 101 Ų | 101 | 79.1 Ų | 79.1 | 61% | 0.612 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 121.8 | 171.3 | -175.2 | 0 | 0 | 0 | 0 | 108.9 | V115 I116 | V111-V115 WeakPolarHBondContact CA-O 3.3Å; V111-I116 HydrophobicContact CG2-CG1 4.35Å |
| 112 | F | 88.4 | Confident | 84.4 | Confident | 76 Ų | 76 | 81.5 Ų | 81.5 | 33% | 0.333 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 123.8 | 176.1 | -170.6 | -94.7 | 0 | 0 | 0 | 109.9 | G114 V115 Y117 F123 P125 I138 | F112-G114 PolarHBondContact O-N 2.97Å; F112-V115 PolarHBondContact N-O 2.03Å; F112-V115 PolarHBondContact O-N 3.07Å; F112-Y117 HydrophobicContact CB-CD2 4.13Å; F112-Y117 HydrophobicContact CB-CE2 3.85Å; F112-F123 HydrophobicContact CB-CE2 4.18Å; F112-F123 HydrophobicContact CB-CZ 3.96Å; F112-F123 AromaticContact CD1-CE2 3.62Å; F112-F123 HydrophobicContact CD1-CE2 3.62Å; F112-F123 HydrophobicContact CD1-CZ 4.18Å; F112-F123 HydrophobicContact CD2-CZ 4.46Å; F112-F123 HydrophobicContact CE1-CE2 4.15Å; F112-F123 AromaticContact CG-CE2 3.88Å; F112-F123 HydrophobicContact CG-CE2 3.88Å; F112-F123 AromaticContact CG-CZ 3.94Å; F112-F123 HydrophobicContact CG-CZ 3.94Å; F112-P125 HydrophobicContact CD1-CB 4.4Å; F112-P125 HydrophobicContact CE1-CB 3.53Å; F112-P125 HydrophobicContact CE1-CG 4.32Å; F112-P125 HydrophobicContact CZ-CB 4.06Å; F112-P125 HydrophobicContact CZ-CG 4.48Å; F112-I138 HydrophobicContact CB-CD1 3.54Å; F112-I138 HydrophobicContact CD2-CD1 3.76Å; F112-I138 HydrophobicContact CG-CD1 4.04Å |
| 113 | D | 86.9 | Confident | 84.4 | Confident | 154 Ų | 154 | 82.2 Ų | 82.2 | 82% | 0.824 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 38.2 | -178.8 | -157.4 | 28.2 | 0 | 0 | 0 | 113.4 | V115 | D113-V115 VanDerWaalsContact C-N 3.25Å; D113-V115 PolarHBondContact O-N 2.89Å |
| 114 | G | 85.6 | Confident | 84.7 | Confident | 72 Ų | 72 | 83.1 Ų | 83.1 | 74% | 0.742 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.6 | -0.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | F112 | F112-G114 PolarHBondContact O-N 2.97Š|
| 115 | V | 89.3 | Confident | 85 | Confident | 73 Ų | 73 | 84.3 Ų | 84.3 | 44% | 0.442 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 138.1 | 176.2 | -176.3 | 0 | 0 | 0 | 0 | 110.3 | V111 F112 D113 Y117 | V111-V115 WeakPolarHBondContact CA-O 3.3Å; F112-V115 PolarHBondContact N-O 2.03Å; F112-V115 PolarHBondContact O-N 3.07Å; D113-V115 VanDerWaalsContact C-N 3.25Å; D113-V115 PolarHBondContact O-N 2.89Å; V115-Y117 HydrophobicContact CB-CE2 3.78Å; V115-Y117 HydrophobicContact CG1-CD2 4.45Å; V115-Y117 HydrophobicContact CG1-CE1 4.23Å; V115-Y117 HydrophobicContact CG1-CE2 3.82Å |
| 116 | I | 86.9 | Confident | 85.8 | Confident | 114 Ų | 114 | 82.2 Ų | 82.2 | 59% | 0.585 | 45% | 0.448 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 123.6 | 178.9 | -55.1 | 175.4 | 0 | 0 | 0 | 109.1 | N109 C110 V111 | N109-I116 HydrophobicContact CB-CG2 3.75Å; C110-I116 CarbonylContact O-C 3.52Å; C110-I116 WeakPolarHBondContact O-CA 3.44Å; V111-I116 HydrophobicContact CG2-CG1 4.35Å |
| 117 | Y | 87.8 | Confident | 86.7 | Confident | 38 Ų | 38 | 76.9 Ų | 76.9 | 15% | 0.149 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 134.3 | 177 | -63.9 | -82 | 0 | 0 | 0 | 110.1 | N109 C110 F112 V115 E121 F123 C133 | N109-Y117 CarbonylContact C-O 3.51Å; N109-Y117 WeakPolarHBondContact CA-O 3.33Å; N109-Y117 WeakPolarHBondContact CB-O 3.38Å; C110-Y117 PolarHBondContact N-O 3.33Å; C110-Y117 PolarHBondContact O-N 3.01Å; F112-Y117 HydrophobicContact CB-CD2 4.13Å; F112-Y117 HydrophobicContact CB-CE2 3.85Å; V115-Y117 HydrophobicContact CB-CE2 3.78Å; V115-Y117 HydrophobicContact CG1-CD2 4.45Å; V115-Y117 HydrophobicContact CG1-CE1 4.23Å; V115-Y117 HydrophobicContact CG1-CE2 3.82Å; Y117-E121 WeakPolarHBondContact CA-OE2 3.41Å; Y117-E121 HydrophobicContact CD1-CG 4.22Å; Y117-F123 HydrophobicContact CD1-CB 3.82Å; Y117-F123 AromaticContact CD1-CD1 3.55Å; Y117-F123 HydrophobicContact CD1-CD1 3.55Å; Y117-F123 HydrophobicContact CD1-CE1 4.25Å; Y117-F123 AromaticContact CD1-CG 3.76Å; Y117-F123 HydrophobicContact CD1-CG 3.76Å; Y117-F123 HydrophobicContact CD2-CD1 4.06Å; Y117-F123 AromaticContact CD2-CE1 3.94Å; Y117-F123 HydrophobicContact CD2-CE1 3.94Å; Y117-F123 HydrophobicContact CD2-CG 4.42Å; Y117-F123 HydrophobicContact CD2-CZ 4.21Å; Y117-F123 HydrophobicContact CE1-CB 3.27Å; Y117-F123 AromaticContact CE1-CD1 3.7Å; Y117-F123 HydrophobicContact CE1-CD1 3.7Å; Y117-F123 AromaticContact CE1-CD2 3.94Å; Y117-F123 HydrophobicContact CE1-CD2 3.94Å; Y117-F123 HydrophobicContact CE1-CE1 4.5Å; Y117-F123 AromaticContact CE1-CG 3.37Å; Y117-F123 HydrophobicContact CE1-CG 3.37Å; Y117-F123 HydrophobicContact CE2-CD1 4.19Å; Y117-F123 HydrophobicContact CE2-CD2 4.03Å; Y117-F123 HydrophobicContact CE2-CE1 4.21Å; Y117-F123 HydrophobicContact CE2-CE2 4.06Å; Y117-F123 HydrophobicContact CE2-CG 4.11Å; Y117-F123 HydrophobicContact CE2-CZ 4.14Å; Y117-F123 AromaticContact CG-CD1 3.73Å; Y117-F123 HydrophobicContact CG-CD1 3.73Å; Y117-F123 AromaticContact CG-CE1 3.95Å; Y117-F123 HydrophobicContact CG-CE1 3.95Å; Y117-F123 HydrophobicContact CG-CG 4.25Å; Y117-F123 AromaticContact CZ-CD2 3.6Å; Y117-F123 AromaticContact CZ-CG 3.55Å; Y117-C133 PolarHBondContact O-SG 2.99Å; Y117-C133 VanDerWaalsContact O-SG 3.41Å |
| 118 | R | 88.4 | Confident | 87.7 | Confident | 186 Ų | 186 | 78.7 Ų | 78.7 | 70% | 0.702 | 43% | 0.432 | S | S | * | . | trans | -73.6 | 151.5 | 178.6 | -63.9 | -179.2 | -179.7 | -178.8 | -1.1 | 111.5 | N109 G120 E121 C133 | N109-R118 WeakPolarHBondContact OD1-CA 3.39Å; R118-G120 PolarHBondContact O-N 3.26Å; R118-E121 HydrophobicContact CB-CB 4.38Å; R118-E121 PolarHBondContact N-OE2 2.73Å; R118-E121 WeakPolarHBondContact O-CB 3.39Å; R118-E121 PolarHBondContact O-N 3.12Å; R118-C133 WeakPolarHBondContact O-CB 3.38Å | ||
| 119 | S | 83.8 | Confident | 88.4 | Confident | 41 Ų | 41 | 77.9 Ų | 77.9 | 29% | 0.287 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 127.9 | 172.7 | -172.4 | 0 | 0 | 0 | 0 | 110.5 | G107 D135 | G107-S119 VanDerWaalsContact C-CB 3.47Å; G107-S119 VanDerWaalsContact CA-CB 3.45Å; G107-S119 VanDerWaalsContact O-CB 3.24Å; G107-S119 WeakPolarHBondContact O-CB 3.44Å; S119-D135 PolarHBondContact OG-N 3.03Å; S119-D135 PolarHBondContact OG-OD1 3.06Å |
| 120 | G | 83.7 | Confident | 88.9 | Confident | 48 Ų | 48 | 77.1 Ų | 77.1 | 50% | 0.495 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.8 | -12.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | R118 C133 | R118-G120 PolarHBondContact O-N 3.26Å; G120-C133 WeakPolarHBondContact CA-O 3.28Å; G120-C133 PolarHBondContact N-O 2.83Å |
| 121 | E | 88.4 | Confident | 89.3 | Confident | 79 Ų | 79 | 77 Ų | 77 | 37% | 0.369 | 42% | 0.417 | S | S | . | . | trans | -72.9 | 135.4 | -178.5 | -167.7 | 173.4 | 167.6 | 0 | 0 | 111.7 | Y117 R118 T132 C133 | Y117-E121 WeakPolarHBondContact CA-OE2 3.41Å; Y117-E121 HydrophobicContact CD1-CG 4.22Å; R118-E121 HydrophobicContact CB-CB 4.38Å; R118-E121 PolarHBondContact N-OE2 2.73Å; R118-E121 WeakPolarHBondContact O-CB 3.39Å; R118-E121 PolarHBondContact O-N 3.12Å; E121-T132 CarbonylContact O-C 3.6Å; E121-T132 WeakPolarHBondContact O-CA 2.87Å; E121-C133 PolarHBondContact O-N 2.84Å | ||
| 122 | K | 91.9 | Very high | 89.5 | Confident | 143 Ų | 143 | 73.5 Ų | 73.5 | 62% | 0.622 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 131.2 | 178.4 | -62 | -178.7 | -179.2 | 175.3 | 0 | 109.6 | C131 T132 | K122-C131 CarbonylContact C-O 3.53Å; K122-C131 VanDerWaalsContact CA-O 3.29Å; K122-C131 WeakPolarHBondContact CA-O 3.43Å; K122-T132 HydrophobicContact CG-CG2 3.99Å |
| 123 | F | 93.9 | Very high | 89.6 | Confident | 16 Ų | 16 | 69.9 Ų | 69.9 | 7% | 0.07 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 161.3 | 179.6 | 68.3 | -84.6 | 0 | 0 | 0 | 111.1 | F112 Y117 P125 C131 I138 | F112-F123 HydrophobicContact CB-CE2 4.18Å; F112-F123 HydrophobicContact CB-CZ 3.96Å; F112-F123 AromaticContact CD1-CE2 3.62Å; F112-F123 HydrophobicContact CD1-CE2 3.62Å; F112-F123 HydrophobicContact CD1-CZ 4.18Å; F112-F123 HydrophobicContact CD2-CZ 4.46Å; F112-F123 HydrophobicContact CE1-CE2 4.15Å; F112-F123 AromaticContact CG-CE2 3.88Å; F112-F123 HydrophobicContact CG-CE2 3.88Å; F112-F123 AromaticContact CG-CZ 3.94Å; F112-F123 HydrophobicContact CG-CZ 3.94Å; Y117-F123 HydrophobicContact CD1-CB 3.82Å; Y117-F123 AromaticContact CD1-CD1 3.55Å; Y117-F123 HydrophobicContact CD1-CD1 3.55Å; Y117-F123 HydrophobicContact CD1-CE1 4.25Å; Y117-F123 AromaticContact CD1-CG 3.76Å; Y117-F123 HydrophobicContact CD1-CG 3.76Å; Y117-F123 HydrophobicContact CD2-CD1 4.06Å; Y117-F123 AromaticContact CD2-CE1 3.94Å; Y117-F123 HydrophobicContact CD2-CE1 3.94Å; Y117-F123 HydrophobicContact CD2-CG 4.42Å; Y117-F123 HydrophobicContact CD2-CZ 4.21Å; Y117-F123 HydrophobicContact CE1-CB 3.27Å; Y117-F123 AromaticContact CE1-CD1 3.7Å; Y117-F123 HydrophobicContact CE1-CD1 3.7Å; Y117-F123 AromaticContact CE1-CD2 3.94Å; Y117-F123 HydrophobicContact CE1-CD2 3.94Å; Y117-F123 HydrophobicContact CE1-CE1 4.5Å; Y117-F123 AromaticContact CE1-CG 3.37Å; Y117-F123 HydrophobicContact CE1-CG 3.37Å; Y117-F123 HydrophobicContact CE2-CD1 4.19Å; Y117-F123 HydrophobicContact CE2-CD2 4.03Å; Y117-F123 HydrophobicContact CE2-CE1 4.21Å; Y117-F123 HydrophobicContact CE2-CE2 4.06Å; Y117-F123 HydrophobicContact CE2-CG 4.11Å; Y117-F123 HydrophobicContact CE2-CZ 4.14Å; Y117-F123 AromaticContact CG-CD1 3.73Å; Y117-F123 HydrophobicContact CG-CD1 3.73Å; Y117-F123 AromaticContact CG-CE1 3.95Å; Y117-F123 HydrophobicContact CG-CE1 3.95Å; Y117-F123 HydrophobicContact CG-CG 4.25Å; Y117-F123 AromaticContact CZ-CD2 3.6Å; Y117-F123 AromaticContact CZ-CG 3.55Å; F123-P125 HydrophobicContact CE2-CB 4.3Å; F123-P125 HydrophobicContact CE2-CG 4.26Å; F123-C131 HydrophobicContact CD1-CB 4.09Å; F123-C131 HydrophobicContact CD2-CB 4.17Å; F123-C131 HydrophobicContact CE1-CB 3.64Å; F123-C131 HydrophobicContact CE2-CB 3.73Å; F123-C131 HydrophobicContact CG-CB 4.33Å; F123-C131 HydrophobicContact CZ-CB 3.44Å; F123-C131 VanDerWaalsContact CZ-CB 3.44Å; F123-C131 PolarHBondContact N-O 3.12Å; F123-C131 PolarHBondContact O-N 3.07Å; F123-I138 HydrophobicContact CE1-CG2 4.12Å; F123-I138 HydrophobicContact CZ-CD1 4.21Å; F123-I138 HydrophobicContact CZ-CG2 3.76Å |
| 124 | Q | 92.9 | Very high | 89.6 | Confident | 94 Ų | 94 | 71 Ų | 71 | 44% | 0.439 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 91.2 | -174.3 | -175.1 | 179.3 | -58.4 | 0 | 0 | 109.4 | S126 F129 R143 | Q124-S126 WeakPolarHBondContact CG-O 3.11Å; Q124-S126 PolarHBondContact O-N 2.79Å; Q124-F129 VanDerWaalsContact CG-O 3.3Å; Q124-F129 WeakPolarHBondContact CG-O 3.36Å; Q124-R143 VanDerWaalsContact CD-NH1 3.33Å |
| 125 | P | 90.8 | Very high | 89.4 | Confident | 59 Ų | 59 | 72.8 Ų | 72.8 | 38% | 0.383 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | -25.3 | -176.6 | 28.5 | -36.1 | 0 | 0 | 0 | 112.7 | F112 F123 F129 C131 | F112-P125 HydrophobicContact CD1-CB 4.4Å; F112-P125 HydrophobicContact CE1-CB 3.53Å; F112-P125 HydrophobicContact CE1-CG 4.32Å; F112-P125 HydrophobicContact CZ-CB 4.06Å; F112-P125 HydrophobicContact CZ-CG 4.48Å; F123-P125 HydrophobicContact CE2-CB 4.3Å; F123-P125 HydrophobicContact CE2-CG 4.26Å; P125-F129 HydrophobicContact CG-CB 4.28Å; P125-C131 VanDerWaalsContact CD-SG 3.57Å; P125-C131 VanDerWaalsContact CG-SG 3.51Å |
| 126 | S | 89.1 | Confident | 89 | Confident | 48 Ų | 48 | 71.2 Ų | 71.2 | 34% | 0.336 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 165.2 | 168.7 | 74.1 | 0 | 0 | 0 | 0 | 109.5 | Q124 K128 F129 | Q124-S126 WeakPolarHBondContact CG-O 3.11Å; Q124-S126 PolarHBondContact O-N 2.79Å; S126-K128 PolarHBondContact O-N 2.87Å; S126-K128 PolarHBondContact OG-N 2.92Å; S126-F129 PolarHBondContact O-N 2.78Å; S126-F129 VanDerWaalsContact O-N 3.15Å |
| 127 | C | 89.6 | Confident | 88.9 | Confident | 54 Ų | 54 | 73 Ų | 73 | 37% | 0.365 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -22 | 176.4 | 78.7 | 0 | 0 | 0 | 0 | 113 | C167 | C127-C167 VanDerWaalsContact CA-SG 3.51Å; C127-C167 HydrophobicContact CB-CB 3.78Å; C127-C167 WeakPolarHBondContact CB-SG 3.33Å; C127-C167 PolarHBondContact O-SG 2.85Å; C127-C167 WeakPolarHBondContact SG-CA 2.93Å; C127-C167 WeakPolarHBondContact SG-CB 3.44Å; C127-C167 CovalentContact SG-SG 2.03Å; C127-C167 PolarHBondContact SG-SG 3.04Å |
| 128 | K | 89.1 | Confident | 89.1 | Confident | 54 Ų | 54 | 73.6 Ų | 73.6 | 24% | 0.235 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -18.8 | -178.3 | -60.5 | -174.6 | -176.5 | 179.7 | 0 | 113.2 | S126 R143 E162 C167 E169 | S126-K128 PolarHBondContact O-N 2.87Å; S126-K128 PolarHBondContact OG-N 2.92Å; K128-R143 PolarHBondContact O-N 2.87Å; K128-E162 IonicContact NZ-OE1 2.68Å; K128-E162 PolarHBondContact NZ-OE1 2.75Å; K128-C167 WeakPolarHBondContact CE-O 3.29Å; K128-E169 IonicContact NZ-OE1 3.14Å; K128-E169 PolarHBondContact NZ-OE1 2.86Å |
| 129 | F | 90.9 | Very high | 89.2 | Confident | 97 Ų | 97 | 66.8 Ų | 66.8 | 43% | 0.425 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 140.4 | -172.6 | -67.5 | -79.2 | 0 | 0 | 0 | 113.2 | Q124 P125 S126 V141 P142 | Q124-F129 VanDerWaalsContact CG-O 3.3Å; Q124-F129 WeakPolarHBondContact CG-O 3.36Å; P125-F129 HydrophobicContact CG-CB 4.28Å; S126-F129 PolarHBondContact O-N 2.78Å; S126-F129 VanDerWaalsContact O-N 3.15Å; F129-V141 WeakPolarHBondContact CA-O 3.32Å; F129-P142 HydrophobicContact CD1-CB 4.44Å; F129-P142 HydrophobicContact CE1-CB 4.26Å |
| 130 | Q | 94.2 | Very high | 89.6 | Confident | 71 Ų | 71 | 67.7 Ų | 67.7 | 33% | 0.332 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 122.6 | 169.4 | -175.6 | 171.6 | -46.9 | 0 | 0 | 109.2 | C140 V141 R143 | Q130-C140 CarbonylContact O-C 3.51Å; Q130-C140 WeakPolarHBondContact O-CA 3.48Å; Q130-V141 HydrophobicContact CB-CG2 4.18Å; Q130-V141 PolarHBondContact N-O 2.81Å; Q130-V141 WeakPolarHBondContact O-CG2 3.26Å; Q130-V141 PolarHBondContact O-N 2.87Å; Q130-R143 HydrophobicContact CB-CG 3.98Å |
| 131 | C | 93.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 153.6 | -175.5 | -56.4 | 0 | 0 | 0 | 0 | 111.4 | K122 F123 P125 I138 G139 C140 | K122-C131 CarbonylContact C-O 3.53Å; K122-C131 VanDerWaalsContact CA-O 3.29Å; K122-C131 WeakPolarHBondContact CA-O 3.43Å; F123-C131 HydrophobicContact CD1-CB 4.09Å; F123-C131 HydrophobicContact CD2-CB 4.17Å; F123-C131 HydrophobicContact CE1-CB 3.64Å; F123-C131 HydrophobicContact CE2-CB 3.73Å; F123-C131 HydrophobicContact CG-CB 4.33Å; F123-C131 HydrophobicContact CZ-CB 3.44Å; F123-C131 VanDerWaalsContact CZ-CB 3.44Å; F123-C131 PolarHBondContact N-O 3.12Å; F123-C131 PolarHBondContact O-N 3.07Å; P125-C131 VanDerWaalsContact CD-SG 3.57Å; P125-C131 VanDerWaalsContact CG-SG 3.51Å; C131-I138 HydrophobicContact CB-CG2 3.94Å; C131-G139 CarbonylContact C-O 3.6Å; C131-G139 VanDerWaalsContact CA-O 3.27Å; C131-G139 WeakPolarHBondContact CA-O 2.82Å; C131-C140 HydrophobicContact CB-CB 4.11Å; C131-C140 WeakPolarHBondContact CB-SG 3.4Å; C131-C140 WeakPolarHBondContact SG-CB 3.45Å; C131-C140 CovalentContact SG-SG 2.04Å; C131-C140 PolarHBondContact SG-SG 2.71Å |
| 132 | T | 93.9 | Very high | 90.3 | Very high | 27 Ų | 27 | 68.8 Ų | 68.8 | 17% | 0.166 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 130.3 | 173.5 | -50.6 | 0 | 0 | 0 | 0 | 108.6 | E121 K122 R134 G139 | E121-T132 CarbonylContact O-C 3.6Å; E121-T132 WeakPolarHBondContact O-CA 2.87Å; K122-T132 HydrophobicContact CG-CG2 3.99Å; T132-R134 HydrophobicContact CG2-CG 4.21Å; T132-G139 PolarHBondContact N-O 2.71Å; T132-G139 PolarHBondContact O-N 3.2Å |
| 133 | C | 90.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 130.1 | 168.7 | 175.9 | 0 | 0 | 0 | 0 | 109.4 | C110 Y117 R118 G120 E121 | C110-C133 HydrophobicContact CB-CB 3.7Å; C110-C133 WeakPolarHBondContact CB-SG 3.31Å; C110-C133 PolarHBondContact N-SG 2.03Å; C110-C133 WeakPolarHBondContact SG-CA 3.48Å; C110-C133 WeakPolarHBondContact SG-CB 3.46Å; C110-C133 CovalentContact SG-SG 2.03Å; C110-C133 PolarHBondContact SG-SG 3.18Å; Y117-C133 PolarHBondContact O-SG 2.99Å; Y117-C133 VanDerWaalsContact O-SG 3.41Å; R118-C133 WeakPolarHBondContact O-CB 3.38Å; G120-C133 WeakPolarHBondContact CA-O 3.28Å; G120-C133 PolarHBondContact N-O 2.83Å; E121-C133 PolarHBondContact O-N 2.84Å |
| 134 | R | 86.8 | Confident | 89.9 | Confident | 177 Ų | 177 | 68.7 Ų | 68.7 | 67% | 0.668 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 113.3 | 170.9 | -67.7 | -171.1 | -179.8 | -156.3 | -0.6 | 108.2 | T132 G136 Q137 | T132-R134 HydrophobicContact CG2-CG 4.21Å; R134-G136 VanDerWaalsContact C-N 3.33Å; R134-G136 PolarHBondContact O-N 3.33Å; R134-Q137 PolarHBondContact N-O 2.8Å; R134-Q137 PolarHBondContact O-N 2.84Å |
| 135 | D | 80.9 | Confident | 89.2 | Confident | 109 Ų | 109 | 71.3 Ų | 71.3 | 58% | 0.583 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 52.6 | 170.6 | -46.6 | -33.2 | 0 | 0 | 0 | 112.4 | G107 D108 S119 Q137 | G107-D135 WeakPolarHBondContact CA-OD1 3.33Å; D108-D135 CarbonylContact O-C 3.19Å; S119-D135 PolarHBondContact OG-N 3.03Å; S119-D135 PolarHBondContact OG-OD1 3.06Å; D135-Q137 PolarHBondContact O-N 2.9Å |
| 136 | G | 82.1 | Confident | 88.5 | Confident | 40 Ų | 40 | 74.6 Ų | 74.6 | 41% | 0.412 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | -7.4 | 178 | 0 | 0 | 0 | 0 | 0 | 114.7 | D108 R134 | D108-G136 WeakPolarHBondContact O-CA 3.28Å; D108-G136 PolarHBondContact O-N 3.01Å; R134-G136 VanDerWaalsContact C-N 3.33Å; R134-G136 PolarHBondContact O-N 3.33Å |
| 137 | Q | 83.4 | Confident | 87.8 | Confident | 152 Ų | 152 | 76.6 Ų | 76.6 | 71% | 0.71 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 140.8 | 179.7 | -163.8 | 170.4 | 55.5 | 0 | 0 | 112.4 | C110 R134 D135 | C110-Q137 PolarHBondContact SG-O 3.18Å; C110-Q137 VanDerWaalsContact SG-O 3.38Å; R134-Q137 PolarHBondContact N-O 2.8Å; R134-Q137 PolarHBondContact O-N 2.84Å; D135-Q137 PolarHBondContact O-N 2.9Å |
| 138 | I | 92.8 | Very high | 86.9 | Confident | 50 Ų | 50 | 79.5 Ų | 79.5 | 26% | 0.256 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 117.7 | -179.9 | -60.3 | 173.3 | 0 | 0 | 0 | 109.2 | C110 F112 F123 C131 | C110-I138 HydrophobicContact CB-CD1 3.84Å; C110-I138 HydrophobicContact CB-CG1 3.51Å; F112-I138 HydrophobicContact CB-CD1 3.54Å; F112-I138 HydrophobicContact CD2-CD1 3.76Å; F112-I138 HydrophobicContact CG-CD1 4.04Å; F123-I138 HydrophobicContact CE1-CG2 4.12Å; F123-I138 HydrophobicContact CZ-CD1 4.21Å; F123-I138 HydrophobicContact CZ-CG2 3.76Å; C131-I138 HydrophobicContact CB-CG2 3.94Å |
| 139 | G | 89.6 | Confident | 86.1 | Confident | 44 Ų | 44 | 79.2 Ų | 79.2 | 45% | 0.454 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 123.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | C131 T132 | C131-G139 CarbonylContact C-O 3.6Å; C131-G139 VanDerWaalsContact CA-O 3.27Å; C131-G139 WeakPolarHBondContact CA-O 2.82Å; T132-G139 PolarHBondContact N-O 2.71Å; T132-G139 PolarHBondContact O-N 3.2Å |
| 140 | C | 93.3 | Very high | 85.1 | Confident | 60 Ų | 60 | 80.6 Ų | 80.6 | 41% | 0.405 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 136.7 | 177.4 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | Q130 C131 | Q130-C140 CarbonylContact O-C 3.51Å; Q130-C140 WeakPolarHBondContact O-CA 3.48Å; C131-C140 HydrophobicContact CB-CB 4.11Å; C131-C140 WeakPolarHBondContact CB-SG 3.4Å; C131-C140 WeakPolarHBondContact SG-CB 3.45Å; C131-C140 CovalentContact SG-SG 2.04Å; C131-C140 PolarHBondContact SG-SG 2.71Å |
| 141 | V | 93 | Very high | 84.2 | Confident | 87 Ų | 87 | 81.6 Ų | 81.6 | 53% | 0.527 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 138.3 | 172.1 | -64 | 0 | 0 | 0 | 0 | 110 | F129 Q130 | F129-V141 WeakPolarHBondContact CA-O 3.32Å; Q130-V141 HydrophobicContact CB-CG2 4.18Å; Q130-V141 PolarHBondContact N-O 2.81Å; Q130-V141 WeakPolarHBondContact O-CG2 3.26Å; Q130-V141 PolarHBondContact O-N 2.87Å |
| 142 | P | 92.7 | Very high | 82.9 | Confident | 62 Ų | 62 | 87 Ų | 87 | 40% | 0.403 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 133.8 | 175.8 | 29.4 | -33.7 | 0 | 0 | 0 | 109.9 | F129 L146 | F129-P142 HydrophobicContact CD1-CB 4.44Å; F129-P142 HydrophobicContact CE1-CB 4.26Å; P142-L146 HydrophobicContact CB-CD1 3.96Å; P142-L146 HydrophobicContact CB-CG 4.33Å; P142-L146 HydrophobicContact CG-CD1 3.61Å; P142-L146 HydrophobicContact CG-CG 4.37Å |
| 143 | R | 90 | Very high | 81.7 | Confident | 137 Ų | 137 | 91.6 Ų | 91.6 | 52% | 0.517 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -86.3 | -20.9 | 172.7 | -63 | -169.5 | 66.2 | -157.8 | -9.3 | 112.4 | Q124 K128 Q130 | Q124-R143 VanDerWaalsContact CD-NH1 3.33Å; K128-R143 PolarHBondContact O-N 2.87Å; Q130-R143 HydrophobicContact CB-CG 3.98Å |
| 144 | C | 88.4 | Confident | 80.7 | Confident | 21 Ų | 21 | 98.6 Ų | 98.6 | 14% | 0.142 | 54% | 0.536 | C | S | . | . | S | Bend | trans | -89.5 | 147.5 | 176.2 | -62.5 | 0 | 0 | 0 | 0 | 111.1 | L146 C168 | C144-L146 PolarHBondContact O-N 2.99Å; C144-C168 WeakPolarHBondContact CA-SG 3.1Å; C144-C168 HydrophobicContact CB-CB 3.77Å; C144-C168 WeakPolarHBondContact CB-SG 3.27Å; C144-C168 WeakPolarHBondContact SG-CA 3.35Å; C144-C168 WeakPolarHBondContact SG-CB 3.24Å; C144-C168 CovalentContact SG-SG 2.05Å; C144-C168 PolarHBondContact SG-SG 3.05Å |
| 145 | Q | 79.1 | Confident | 80 | Confident | 149 Ų | 149 | 90.4 Ų | 90.4 | 70% | 0.696 | 51% | 0.505 | S | S | * | . | trans | -63.4 | 119 | 168.9 | -89.9 | 165.2 | -7.5 | 0 | 0 | 110.1 | D147 K160 | Q145-D147 HydrophobicContact CB-CB 4.47Å; Q145-D147 WeakPolarHBondContact CB-OD2 3.3Å; Q145-D147 WeakPolarHBondContact CG-OD2 3.05Å; Q145-D147 PolarHBondContact O-N 2.95Å; Q145-D147 PolarHBondContact OE1-OD2 2.79Å; Q145-K160 PolarHBondContact O-NZ 2.8Å | ||
| 146 | L | 75.7 | Confident | 79.7 | Confident | 128 Ų | 128 | 89 Ų | 89 | 67% | 0.67 | 50% | 0.502 | S | S | * | . | trans | -84.1 | 24.9 | 172.7 | -73.1 | 169.4 | 0 | 0 | 0 | 111.7 | P142 C144 | P142-L146 HydrophobicContact CB-CD1 3.96Å; P142-L146 HydrophobicContact CB-CG 4.33Å; P142-L146 HydrophobicContact CG-CD1 3.61Å; P142-L146 HydrophobicContact CG-CG 4.37Å; C144-L146 PolarHBondContact O-N 2.99Å | ||
| 147 | D | 73.1 | Confident | 79.4 | Confident | 89 Ų | 89 | 90.3 Ų | 90.3 | 48% | 0.476 | 51% | 0.509 | S | S | . | . | trans | -64.2 | 138.1 | -176.3 | -57.5 | -16.4 | 0 | 0 | 0 | 110.4 | Q145 W171 | Q145-D147 HydrophobicContact CB-CB 4.47Å; Q145-D147 WeakPolarHBondContact CB-OD2 3.3Å; Q145-D147 WeakPolarHBondContact CG-OD2 3.05Å; Q145-D147 PolarHBondContact O-N 2.95Å; Q145-D147 PolarHBondContact OE1-OD2 2.79Å; D147-W171 VanDerWaalsContact O-CZ2 3.32Å; D147-W171 WeakPolarHBondContact O-CZ2 3.46Å; D147-W171 PolarHBondContact O-NE1 3.05Å | ||
| 148 | V | 71.9 | Confident | 79.4 | Confident | 115 Ų | 115 | 84.5 Ų | 84.5 | 70% | 0.697 | 48% | 0.484 | S | S | * | . | trans | -96.4 | 114.8 | 176.5 | 179.2 | 0 | 0 | 0 | 0 | 107.7 | L150 | V148-L150 HydrophobicContact CG1-CD2 4.44Å; V148-L150 PolarHBondContact O-N 3.04Å | ||
| 149 | L | 71.6 | Confident | 78.8 | Confident | 49 Ų | 49 | 89.4 Ų | 89.4 | 26% | 0.257 | 50% | 0.5 | S | S | . | . | trans | -82 | 112.6 | 170.6 | -171.3 | 63.3 | 0 | 0 | 0 | 108.3 | P158 W171 | L149-P158 HydrophobicContact CB-CB 4.06Å; L149-P158 HydrophobicContact CD2-CB 3.64Å; L149-P158 HydrophobicContact CG-CB 3.88Å; L149-P158 HydrophobicContact CG-CG 4.42Å; L149-P158 VanDerWaalsContact O-CG 3.28Å; L149-P158 WeakPolarHBondContact O-CG 3.48Å; L149-W171 HydrophobicContact CB-CD2 3.41Å; L149-W171 VanDerWaalsContact CB-CD2 3.41Å; L149-W171 VanDerWaalsContact CB-CE2 3.44Å; L149-W171 HydrophobicContact CB-CE3 3.81Å; L149-W171 HydrophobicContact CB-CG 3.74Å; L149-W171 HydrophobicContact CB-CH2 4.23Å; L149-W171 HydrophobicContact CB-CZ2 3.89Å; L149-W171 HydrophobicContact CB-CZ3 4.19Å; L149-W171 HydrophobicContact CD2-CB 3.56Å; L149-W171 HydrophobicContact CD2-CD2 3.98Å; L149-W171 HydrophobicContact CD2-CE3 4.24Å; L149-W171 HydrophobicContact CD2-CG 3.67Å; L149-W171 HydrophobicContact CG-CD2 4.35Å; L149-W171 HydrophobicContact CG-CG 4.35Å; L149-W171 VanDerWaalsContact N-CZ2 3.26Å | ||
| 150 | L | 70.5 | Confident | 78.6 | Confident | 126 Ų | 126 | 90.1 Ų | 90.1 | 66% | 0.66 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -72.7 | 154 | 171.8 | -66.3 | 175.3 | 0 | 0 | 0 | 109.5 | V148 E152 | V148-L150 HydrophobicContact CG1-CD2 4.44Å; V148-L150 PolarHBondContact O-N 3.04Å; L150-E152 PolarHBondContact O-N 2.8Å; L150-E152 VanDerWaalsContact O-N 3.07Å |
| 151 | P | 74.8 | Confident | 78.2 | Confident | 91 Ų | 91 | 88.5 Ų | 88.5 | 59% | 0.591 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -55.6 | 116.3 | 171.7 | -26.4 | 36 | 0 | 0 | 0 | 110.9 | C155 | P151-C155 WeakPolarHBondContact CA-O 3.41Š|
| 152 | E | 67.4 | Low | 77.9 | Confident | 113 Ų | 113 | 91.2 Ų | 91.2 | 53% | 0.528 | 49% | 0.485 | S | S | . | . | B | Isolated β-bridge | trans | -103.2 | 160 | 174.9 | -70.7 | -168.8 | 158.4 | 0 | 0 | 109.9 | L150 N154 C155 | L150-E152 PolarHBondContact O-N 2.8Å; L150-E152 VanDerWaalsContact O-N 3.07Å; E152-N154 PolarHBondContact O-N 2.02Å; E152-N154 VanDerWaalsContact O-N 3.09Å; E152-C155 HydrophobicContact CB-CB 4.38Å; E152-C155 PolarHBondContact N-O 2.91Å; E152-C155 CarbonylContact O-C 3.53Å; E152-C155 WeakPolarHBondContact O-CA 3.5Å; E152-C155 PolarHBondContact O-N 3.5Å |
| 153 | P | 68 | Low | 77.6 | Confident | 124 Ų | 124 | 90.5 Ų | 90.5 | 81% | 0.805 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -30.6 | 179.2 | -26.2 | 34.7 | 0 | 0 | 0 | 114.1 | ||
| 154 | N | 70.5 | Confident | 77.5 | Confident | 148 Ų | 148 | 90 Ų | 90 | 79% | 0.791 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | 3.8 | 177.9 | -62.6 | -10.6 | 0 | 0 | 0 | 112.7 | E152 | E152-N154 PolarHBondContact O-N 2.02Å; E152-N154 VanDerWaalsContact O-N 3.09Å |
| 155 | C | 72 | Confident | 77.4 | Confident | 4 Ų | 4 | 93.2 Ų | 93.2 | 3% | 0.027 | 53% | 0.531 | C | S | . | . | B | Isolated β-bridge | trans | -152.5 | 71.1 | -179.1 | -160.4 | 0 | 0 | 0 | 0 | 110.1 | P151 E152 A157 P158 C173 | P151-C155 WeakPolarHBondContact CA-O 3.41Å; E152-C155 HydrophobicContact CB-CB 4.38Å; E152-C155 PolarHBondContact N-O 2.91Å; E152-C155 CarbonylContact O-C 3.53Å; E152-C155 WeakPolarHBondContact O-CA 3.5Å; E152-C155 PolarHBondContact O-N 3.5Å; C155-A157 VanDerWaalsContact C-N 3.28Å; C155-A157 PolarHBondContact O-N 2.9Å; C155-P158 WeakPolarHBondContact O-CD 3.08Å; C155-C173 HydrophobicContact CB-CB 3.98Å; C155-C173 WeakPolarHBondContact CB-SG 3.01Å; C155-C173 VanDerWaalsContact SG-CA 3.59Å; C155-C173 WeakPolarHBondContact SG-CB 3.38Å; C155-C173 CovalentContact SG-SG 2.02Å; C155-C173 PolarHBondContact SG-SG 3.49Å |
| 156 | P | 74.3 | Confident | 77.9 | Confident | 80 Ų | 80 | 90.9 Ų | 90.9 | 52% | 0.519 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -70.7 | -24.2 | -172.7 | 26.7 | -34.3 | 0 | 0 | 0 | 113.2 | ||
| 157 | A | 75.3 | Confident | 78.5 | Confident | 68 Ų | 68 | 86.8 Ų | 86.8 | 56% | 0.562 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -130.2 | 74 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | C155 R159 | C155-A157 VanDerWaalsContact C-N 3.28Å; C155-A157 PolarHBondContact O-N 2.9Å; A157-R159 PolarHBondContact O-N 2.86Å |
| 158 | P | 82.6 | Confident | 79.2 | Confident | 29 Ų | 29 | 84.6 Ų | 84.6 | 19% | 0.188 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 128 | 178.7 | 27.8 | -31.7 | 0 | 0 | 0 | 109.8 | L149 C155 W171 | L149-P158 HydrophobicContact CB-CB 4.06Å; L149-P158 HydrophobicContact CD2-CB 3.64Å; L149-P158 HydrophobicContact CG-CB 3.88Å; L149-P158 HydrophobicContact CG-CG 4.42Å; L149-P158 VanDerWaalsContact O-CG 3.28Å; L149-P158 WeakPolarHBondContact O-CG 3.48Å; C155-P158 WeakPolarHBondContact O-CD 3.08Å; P158-W171 HydrophobicContact CB-CE3 3.73Å; P158-W171 HydrophobicContact CB-CZ3 3.91Å |
| 159 | R | 81.9 | Confident | 80 | Confident | 153 Ų | 153 | 82.6 Ų | 82.6 | 58% | 0.577 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123 | 129 | 176.2 | -177.1 | 175.2 | 70.5 | 142.4 | -3.4 | 109.7 | A157 V161 W171 I172 | A157-R159 PolarHBondContact O-N 2.86Å; R159-V161 HydrophobicContact CG-CG1 3.87Å; R159-V161 VanDerWaalsContact CZ-CG1 3.43Å; R159-V161 VanDerWaalsContact NE-CG1 3.28Å; R159-W171 VanDerWaalsContact C-CE3 3.49Å; R159-I172 HydrophobicContact CB-CG1 4.37Å; R159-I172 PolarHBondContact N-O 3.43Å; R159-I172 WeakPolarHBondContact O-CG1 2.99Å; R159-I172 PolarHBondContact O-N 2.84Å |
| 160 | K | 83.9 | Confident | 80.6 | Confident | 60 Ų | 60 | 84.8 Ų | 84.8 | 26% | 0.261 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 125.3 | 169.5 | -129.5 | 179.9 | 177.8 | 169.6 | 0 | 109 | Q145 E169 W171 | Q145-K160 PolarHBondContact O-NZ 2.8Å; K160-E169 HydrophobicContact CB-CB 4.42Å; K160-E169 HydrophobicContact CD-CB 3.93Å; K160-E169 HydrophobicContact CG-CB 3.71Å; K160-W171 HydrophobicContact CB-CD2 4.47Å; K160-W171 HydrophobicContact CB-CE3 4.23Å; K160-W171 HydrophobicContact CB-CH2 4.33Å; K160-W171 HydrophobicContact CB-CZ3 4.18Å; K160-W171 HydrophobicContact CD-CZ2 4.14Å; K160-W171 HydrophobicContact CG-CD2 4.06Å; K160-W171 HydrophobicContact CG-CE3 4.32Å; K160-W171 HydrophobicContact CG-CZ2 4.22Å |
| 161 | V | 85.8 | Confident | 81.2 | Confident | 25 Ų | 25 | 83 Ų | 83 | 15% | 0.152 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 149.9 | 179.3 | -62.8 | 0 | 0 | 0 | 0 | 111.2 | R159 V163 E169 K170 I172 | R159-V161 HydrophobicContact CG-CG1 3.87Å; R159-V161 VanDerWaalsContact CZ-CG1 3.43Å; R159-V161 VanDerWaalsContact NE-CG1 3.28Å; V161-V163 HydrophobicContact CG2-CG2 4.41Å; V161-E169 VanDerWaalsContact O-CA 3.28Å; V161-E169 WeakPolarHBondContact O-CA 3.28Å; V161-E169 WeakPolarHBondContact O-CB 3.18Å; V161-K170 PolarHBondContact N-O 3.07Å; V161-K170 PolarHBondContact O-N 2.91Å; V161-I172 HydrophobicContact CB-CD1 4.3Å; V161-I172 HydrophobicContact CB-CG1 4.35Å; V161-I172 HydrophobicContact CG1-CD1 3.6Å; V161-I172 HydrophobicContact CG1-CG1 3.75Å; V161-I172 HydrophobicContact CG2-CB 4.22Å; V161-I172 HydrophobicContact CG2-CD1 3.74Å; V161-I172 HydrophobicContact CG2-CG1 3.65Å; V161-I172 HydrophobicContact CG2-CG2 3.58Å |
| 162 | E | 86.4 | Confident | 81.6 | Confident | 144 Ų | 144 | 81.4 Ų | 81.4 | 67% | 0.673 | 45% | 0.454 | S | S | * | . | trans | -73 | 127.7 | 170.3 | -64 | -167.5 | 143.3 | 0 | 0 | 109.5 | K128 E169 | K128-E162 IonicContact NZ-OE1 2.68Å; K128-E162 PolarHBondContact NZ-OE1 2.75Å; E162-E169 HydrophobicContact CG-CG 3.86Å | ||
| 163 | V | 85.6 | Confident | 82 | Confident | 47 Ų | 47 | 79 Ų | 79 | 29% | 0.285 | 45% | 0.449 | S | S | . | . | trans | -106.1 | 128.4 | 179.7 | 179.8 | 0 | 0 | 0 | 0 | 108.3 | V161 G165 E166 K170 | V161-V163 HydrophobicContact CG2-CG2 4.41Å; V163-G165 PolarHBondContact O-N 3.32Å; V163-E166 HydrophobicContact CB-CB 4.15Å; V163-E166 HydrophobicContact CB-CG 4.28Å; V163-E166 HydrophobicContact CG1-CB 4.48Å; V163-E166 HydrophobicContact CG1-CG 4.12Å; V163-E166 PolarHBondContact O-N 2.79Å; V163-E166 VanDerWaalsContact O-N 3.14Å; V163-K170 HydrophobicContact CG2-CB 3.96Å; V163-K170 HydrophobicContact CG2-CD 4.3Å; V163-K170 HydrophobicContact CG2-CG 4.23Å | ||
| 164 | P | 88.4 | Confident | 81.9 | Confident | 127 Ų | 127 | 74.7 Ų | 74.7 | 83% | 0.825 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 129.1 | 178.7 | -25.6 | 34.1 | 0 | 0 | 0 | 112.2 | E166 | P164-E166 VanDerWaalsContact C-N 3.3Å; P164-E166 PolarHBondContact O-N 3.15Å |
| 165 | G | 86.6 | Confident | 81 | Confident | 89 Ų | 89 | 73.7 Ų | 73.7 | 92% | 0.918 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.6 | -4.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | V163 | V163-G165 PolarHBondContact O-N 3.32Š|
| 166 | E | 89.1 | Confident | 79.8 | Confident | 100 Ų | 100 | 79 Ų | 79 | 47% | 0.467 | 46% | 0.456 | S | S | . | . | trans | -106.8 | 140.9 | 176.2 | -69.5 | -80.1 | -162.4 | 0 | 0 | 110.3 | V163 P164 K170 | V163-E166 HydrophobicContact CB-CB 4.15Å; V163-E166 HydrophobicContact CB-CG 4.28Å; V163-E166 HydrophobicContact CG1-CB 4.48Å; V163-E166 HydrophobicContact CG1-CG 4.12Å; V163-E166 PolarHBondContact O-N 2.79Å; V163-E166 VanDerWaalsContact O-N 3.14Å; P164-E166 VanDerWaalsContact C-N 3.3Å; P164-E166 PolarHBondContact O-N 3.15Å; E166-K170 IonicContact OE1-NZ 3.74Å; E166-K170 PolarHBondContact OE1-NZ 2.82Å | ||
| 167 | C | 88.2 | Confident | 78.3 | Confident | 42 Ų | 42 | 84.6 Ų | 84.6 | 28% | 0.284 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -73.4 | -41.1 | 177.1 | 173.8 | 0 | 0 | 0 | 0 | 112.6 | C127 K128 | C127-C167 VanDerWaalsContact CA-SG 3.51Å; C127-C167 HydrophobicContact CB-CB 3.78Å; C127-C167 WeakPolarHBondContact CB-SG 3.33Å; C127-C167 PolarHBondContact O-SG 2.85Å; C127-C167 WeakPolarHBondContact SG-CA 2.93Å; C127-C167 WeakPolarHBondContact SG-CB 3.44Å; C127-C167 CovalentContact SG-SG 2.03Å; C127-C167 PolarHBondContact SG-SG 3.04Å; K128-C167 WeakPolarHBondContact CE-O 3.29Å |
| 168 | C | 88.8 | Confident | 76.6 | Confident | 43 Ų | 43 | 89.9 Ų | 89.9 | 29% | 0.291 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -98.1 | 141 | -173.3 | -60.9 | 0 | 0 | 0 | 0 | 110.8 | C144 | C144-C168 WeakPolarHBondContact CA-SG 3.1Å; C144-C168 HydrophobicContact CB-CB 3.77Å; C144-C168 WeakPolarHBondContact CB-SG 3.27Å; C144-C168 WeakPolarHBondContact SG-CA 3.35Å; C144-C168 WeakPolarHBondContact SG-CB 3.24Å; C144-C168 CovalentContact SG-SG 2.05Å; C144-C168 PolarHBondContact SG-SG 3.05Å |
| 169 | E | 87.5 | Confident | 74.2 | Confident | 72 Ų | 72 | 95.3 Ų | 95.3 | 34% | 0.336 | 52% | 0.516 | S | S | . | . | trans | -64.9 | 139.9 | 173.5 | -63.5 | 147.1 | -169 | 0 | 0 | 110 | K128 K160 V161 E162 | K128-E169 IonicContact NZ-OE1 3.14Å; K128-E169 PolarHBondContact NZ-OE1 2.86Å; K160-E169 HydrophobicContact CB-CB 4.42Å; K160-E169 HydrophobicContact CD-CB 3.93Å; K160-E169 HydrophobicContact CG-CB 3.71Å; V161-E169 VanDerWaalsContact O-CA 3.28Å; V161-E169 WeakPolarHBondContact O-CA 3.28Å; V161-E169 WeakPolarHBondContact O-CB 3.18Å; E162-E169 HydrophobicContact CG-CG 3.86Å | ||
| 170 | K | 84.6 | Confident | 72.1 | Confident | 96 Ų | 96 | 92.1 Ų | 92.1 | 42% | 0.417 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 150.5 | 176.2 | -66.4 | -175.1 | -176.8 | 172.8 | 0 | 109.9 | V161 V163 E166 I172 | V161-K170 PolarHBondContact N-O 3.07Å; V161-K170 PolarHBondContact O-N 2.91Å; V163-K170 HydrophobicContact CG2-CB 3.96Å; V163-K170 HydrophobicContact CG2-CD 4.3Å; V163-K170 HydrophobicContact CG2-CG 4.23Å; E166-K170 IonicContact OE1-NZ 3.74Å; E166-K170 PolarHBondContact OE1-NZ 2.82Å; K170-I172 PolarHBondContact O-N 2.74Å |
| 171 | W | 84.1 | Confident | 69.9 | Low | 87 Ų | 87 | 97.3 Ų | 97.3 | 33% | 0.33 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 126.9 | 170.4 | -69.8 | 106.4 | 0 | 0 | 0 | 109.2 | D147 L149 P158 R159 K160 | D147-W171 VanDerWaalsContact O-CZ2 3.32Å; D147-W171 WeakPolarHBondContact O-CZ2 3.46Å; D147-W171 PolarHBondContact O-NE1 3.05Å; L149-W171 HydrophobicContact CB-CD2 3.41Å; L149-W171 VanDerWaalsContact CB-CD2 3.41Å; L149-W171 VanDerWaalsContact CB-CE2 3.44Å; L149-W171 HydrophobicContact CB-CE3 3.81Å; L149-W171 HydrophobicContact CB-CG 3.74Å; L149-W171 HydrophobicContact CB-CH2 4.23Å; L149-W171 HydrophobicContact CB-CZ2 3.89Å; L149-W171 HydrophobicContact CB-CZ3 4.19Å; L149-W171 HydrophobicContact CD2-CB 3.56Å; L149-W171 HydrophobicContact CD2-CD2 3.98Å; L149-W171 HydrophobicContact CD2-CE3 4.24Å; L149-W171 HydrophobicContact CD2-CG 3.67Å; L149-W171 HydrophobicContact CG-CD2 4.35Å; L149-W171 HydrophobicContact CG-CG 4.35Å; L149-W171 VanDerWaalsContact N-CZ2 3.26Å; P158-W171 HydrophobicContact CB-CE3 3.73Å; P158-W171 HydrophobicContact CB-CZ3 3.91Å; R159-W171 VanDerWaalsContact C-CE3 3.49Å; K160-W171 HydrophobicContact CB-CD2 4.47Å; K160-W171 HydrophobicContact CB-CE3 4.23Å; K160-W171 HydrophobicContact CB-CH2 4.33Å; K160-W171 HydrophobicContact CB-CZ3 4.18Å; K160-W171 HydrophobicContact CD-CZ2 4.14Å; K160-W171 HydrophobicContact CG-CD2 4.06Å; K160-W171 HydrophobicContact CG-CE3 4.32Å; K160-W171 HydrophobicContact CG-CZ2 4.22Å |
| 172 | I | 82.5 | Confident | 67.1 | Low | 59 Ų | 59 | 99.5 Ų | 99.5 | 30% | 0.303 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116.7 | 146.4 | 164.4 | 63.9 | 163.5 | 0 | 0 | 0 | 108.7 | R159 V161 K170 | R159-I172 HydrophobicContact CB-CG1 4.37Å; R159-I172 PolarHBondContact N-O 3.43Å; R159-I172 WeakPolarHBondContact O-CG1 2.99Å; R159-I172 PolarHBondContact O-N 2.84Å; V161-I172 HydrophobicContact CB-CD1 4.3Å; V161-I172 HydrophobicContact CB-CG1 4.35Å; V161-I172 HydrophobicContact CG1-CD1 3.6Å; V161-I172 HydrophobicContact CG1-CG1 3.75Å; V161-I172 HydrophobicContact CG2-CB 4.22Å; V161-I172 HydrophobicContact CG2-CD1 3.74Å; V161-I172 HydrophobicContact CG2-CG1 3.65Å; V161-I172 HydrophobicContact CG2-CG2 3.58Å; K170-I172 PolarHBondContact O-N 2.74Å |
| 173 | C | 76.1 | Confident | 65.1 | Low | 63 Ų | 63 | 95.8 Ų | 95.8 | 43% | 0.426 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.7 | 122.7 | 165.9 | -47.5 | 0 | 0 | 0 | 0 | 105 | C155 | C155-C173 HydrophobicContact CB-CB 3.98Å; C155-C173 WeakPolarHBondContact CB-SG 3.01Å; C155-C173 VanDerWaalsContact SG-CA 3.59Å; C155-C173 WeakPolarHBondContact SG-CB 3.38Å; C155-C173 CovalentContact SG-SG 2.02Å; C155-C173 PolarHBondContact SG-SG 3.49Å |
| 174 | G | 66.8 | Low | 62.7 | Low | 32 Ų | 32 | 99.8 Ų | 99.8 | 33% | 0.33 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -57 | 152.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | D176 | G174-D176 PolarHBondContact O-N 2.91Š|
| 175 | P | 50.4 | Low | 60.3 | Low | 128 Ų | 128 | 100.4 Ų | 100.4 | 83% | 0.831 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 131.1 | 172.9 | 24.1 | -31.1 | 0 | 0 | 0 | 108.4 | E177 | P175-E177 PolarHBondContact O-N 2.93Å; P175-E177 VanDerWaalsContact O-N 3.14Å |
| 176 | D | 46.8 | Very low | 58.4 | Low | 114 Ų | 114 | 104.5 Ų | 104.5 | 61% | 0.61 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -52 | 118.6 | 169.8 | -57.5 | -56.8 | 0 | 0 | 0 | 107.2 | G174 E178 | G174-D176 PolarHBondContact O-N 2.91Å; D176-E178 PolarHBondContact O-N 2.88Å |
| 177 | E | 42.3 | Very low | 56 | Low | 198 Ų | 198 | 104.4 Ų | 104.4 | 93% | 0.925 | 61% | 0.612 | S | S | * | * | trans | -65.6 | 99.4 | 144.5 | -65.9 | -141.3 | 154.1 | 0 | 0 | 104.1 | P175 D179 | P175-E177 PolarHBondContact O-N 2.93Å; P175-E177 VanDerWaalsContact O-N 3.14Å; E177-D179 PolarHBondContact O-N 2.82Å | ||
| 178 | E | 39.3 | Very low | 53.6 | Low | 180 Ų | 180 | 107.3 Ų | 107.3 | 84% | 0.841 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -34.9 | 128 | 169.9 | -74.2 | 174.3 | 122.3 | 0 | 0 | 108.6 | D176 | D176-E178 PolarHBondContact O-N 2.88Š|
| 179 | D | 33 | Very low | 51.4 | Low | 142 Ų | 142 | 115.8 Ų | 115.8 | 76% | 0.759 | 67% | 0.667 | S | S | * | * | -165.4 | 123.7 | 57.3 | -173 | 24 | 0 | 0 | 0 | 110.3 | E177 | E177-D179 PolarHBondContact O-N 2.82Š| |||
| 180 | S | 37.1 | Very low | 49 | Very low | 86 Ų | 86 | 121.7 Ų | 121.7 | 60% | 0.601 | 69% | 0.686 | S | S | * | * | trans | 26.1 | 122.4 | 134.9 | -145.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 181 | L | 37.6 | Very low | 47 | Very low | 169 Ų | 169 | 122.4 Ų | 122.4 | 89% | 0.885 | 70% | 0.701 | S | S | * | * | 153.1 | 127.3 | 98.1 | -119.2 | 135 | 0 | 0 | 0 | 112.4 | |||||
| 182 | G | 28.5 | Very low | 44.8 | Very low | 72 Ų | 72 | 125.6 Ų | 125.6 | 74% | 0.742 | 72% | 0.719 | S | S | * | * | trans | 118.5 | 79.5 | 149.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 183 | G | 42.8 | Very low | 43.1 | Very low | 66 Ų | 66 | 127.1 Ų | 127.1 | 68% | 0.68 | 74% | 0.74 | S | S | * | * | trans | -61.1 | 149.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 184 | L | 35.5 | Very low | 41.6 | Very low | 130 Ų | 130 | 130 Ų | 130 | 68% | 0.681 | 76% | 0.756 | S | S | * | * | trans | -139.5 | 119.6 | 159.1 | -71.7 | 175.4 | 0 | 0 | 0 | 109 | ||||
| 185 | T | 37.6 | Very low | 40.5 | Very low | 140 Ų | 140 | 136.5 Ų | 136.5 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | trans | -41.6 | 124.2 | 173.4 | 51.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 186 | L | 47 | Very low | 39.8 | Very low | 176 Ų | 176 | 134 Ų | 134 | 92% | 0.921 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 132.2 | 166 | -112 | 89.8 | 0 | 0 | 0 | 110.4 | ||
| 187 | A | 38.7 | Very low | 39.6 | Very low | 97 Ų | 97 | 134.4 Ų | 134.4 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 144.5 | -178 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 188 | A | 38.8 | Very low | 39.3 | Very low | 104 Ų | 104 | 134.2 Ų | 134.2 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 131.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 189 | Y | 42.7 | Very low | 39.7 | Very low | 220 Ų | 220 | 132 Ų | 132 | 86% | 0.863 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 130.7 | 171.3 | -154.4 | -100.3 | 0 | 0 | 0 | 109.3 | ||
| 190 | R | 36.7 | Very low | 40.1 | Very low | 196 Ų | 196 | 130.7 Ų | 130.7 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | trans | -105.7 | 125.8 | 171.3 | -170.8 | -175.5 | 178.3 | 93.5 | -0.6 | 107.7 | E192 | R190-E192 IonicContact CZ-OE1 3.81Å; R190-E192 IonicContact NE-OE1 2.74Å; R190-E192 PolarHBondContact NE-OE1 2.04Å; R190-E192 IonicContact NH2-OE1 3.66Å | ||
| 191 | P | 42.1 | Very low | 40.4 | Very low | 112 Ų | 112 | 133.7 Ų | 133.7 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -88.6 | 109.9 | 174.5 | 27.6 | -18.8 | 0 | 0 | 0 | 109.5 | ||||
| 192 | E | 38.8 | Very low | 40.8 | Very low | 153 Ų | 153 | 129.9 Ų | 129.9 | 72% | 0.715 | 78% | 0.783 | S | S | * | * | trans | -111.8 | 106.5 | 158.5 | -85.6 | 165.6 | -164.5 | 0 | 0 | 107.7 | R190 | R190-E192 IonicContact CZ-OE1 3.81Å; R190-E192 IonicContact NE-OE1 2.74Å; R190-E192 PolarHBondContact NE-OE1 2.04Å; R190-E192 IonicContact NH2-OE1 3.66Å | ||
| 193 | A | 46.5 | Very low | 41.7 | Very low | 91 Ų | 91 | 132.4 Ų | 132.4 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | trans | -80.9 | 134.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 194 | T | 44 | Very low | 42.1 | Very low | 124 Ų | 124 | 132.8 Ų | 132.8 | 76% | 0.761 | 78% | 0.779 | S | S | * | * | -176.2 | 125.3 | 124 | 28.8 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 195 | L | 44.6 | Very low | 43.4 | Very low | 168 Ų | 168 | 135.4 Ų | 135.4 | 88% | 0.88 | 79% | 0.793 | S | S | * | * | trans | 63 | 119.1 | 135.3 | -61 | 166.8 | 0 | 0 | 0 | 120.3 | ||||
| 196 | G | 34.6 | Very low | 45.1 | Very low | 77 Ų | 77 | 130.4 Ų | 130.4 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | trans | 171.5 | 74.6 | 163.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 197 | V | 44 | Very low | 46.7 | Very low | 122 Ų | 122 | 128.8 Ų | 128.8 | 74% | 0.739 | 75% | 0.754 | S | S | * | * | trans | -60.2 | 127.8 | 173.3 | 171.6 | 0 | 0 | 0 | 0 | 110 | V199 | V197-V199 HydrophobicContact CG1-CG2 3.82Š| ||
| 198 | E | 34.7 | Very low | 48.8 | Very low | 193 Ų | 193 | 129.5 Ų | 129.5 | 90% | 0.902 | 74% | 0.741 | S | S | * | * | trans | -133.8 | 112.4 | 142.3 | -75.2 | -151.1 | 164.1 | 0 | 0 | 109.3 | S200 | E198-S200 PolarHBondContact O-N 3Š| ||
| 199 | V | 48.2 | Very low | 50.8 | Low | 133 Ų | 133 | 129.8 Ų | 129.8 | 81% | 0.806 | 73% | 0.725 | S | S | * | * | trans | -70.5 | 121.5 | 175 | 175.6 | 0 | 0 | 0 | 0 | 108 | V197 | V197-V199 HydrophobicContact CG1-CG2 3.82Š| ||
| 200 | S | 40.9 | Very low | 52.9 | Low | 115 Ų | 115 | 122.3 Ų | 122.3 | 80% | 0.804 | 70% | 0.702 | S | S | * | * | trans | -135.3 | 98.7 | 159.3 | 51.3 | 0 | 0 | 0 | 0 | 110.3 | E198 | E198-S200 PolarHBondContact O-N 3Š| ||
| 201 | D | 44.1 | Very low | 55.3 | Low | 149 Ų | 149 | 116.1 Ų | 116.1 | 80% | 0.797 | 69% | 0.686 | S | S | * | * | trans | 36.7 | 132.8 | 141.4 | -137.8 | -3.6 | 0 | 0 | 0 | 121.9 | ||||
| 202 | S | 46.8 | Very low | 57.4 | Low | 90 Ų | 90 | 118.6 Ų | 118.6 | 63% | 0.629 | 69% | 0.688 | S | S | * | * | S | Bend | trans | 81.9 | 92.5 | 158.6 | 70.2 | 0 | 0 | 0 | 0 | 120.4 | V204 | S202-V204 PolarHBondContact O-N 3.44Å; S202-V204 VanDerWaalsContact O-N 3.11Å |
| 203 | S | 47.6 | Very low | 59.7 | Low | 124 Ų | 124 | 113.6 Ų | 113.6 | 87% | 0.867 | 66% | 0.662 | S | S | * | * | S | Bend | trans | 60.5 | 24.4 | 134.8 | 68.8 | 0 | 0 | 0 | 0 | 120.9 | ||
| 204 | V | 50 | Low | 61.7 | Low | 75 Ų | 75 | 112.5 Ų | 112.5 | 46% | 0.455 | 65% | 0.647 | S | S | . | * | trans | -131.4 | 104.8 | 161.1 | -152.3 | 0 | 0 | 0 | 0 | 109.1 | S202 C206 C235 | S202-V204 PolarHBondContact O-N 3.44Å; S202-V204 VanDerWaalsContact O-N 3.11Å; V204-C206 HydrophobicContact CG1-CB 4Å; V204-C206 VanDerWaalsContact CG1-SG 3.59Å; V204-C206 PolarHBondContact O-N 3.11Å; V204-C235 WeakPolarHBondContact CG1-SG 3.31Å | ||
| 205 | N | 63.9 | Low | 63.7 | Low | 185 Ų | 185 | 109.6 Ų | 109.6 | 99% | 0.989 | 64% | 0.635 | S | S | * | * | trans | -67.9 | 55.6 | 169.2 | -81.9 | -19.6 | 0 | 0 | 0 | 109.8 | ||||
| 206 | C | 73.3 | Confident | 65.8 | Low | 34 Ų | 34 | 102.9 Ų | 102.9 | 23% | 0.23 | 60% | 0.602 | C | S | . | * | trans | -126.5 | 128 | 176.2 | 83.4 | 0 | 0 | 0 | 0 | 110.8 | V204 E208 C235 | V204-C206 HydrophobicContact CG1-CB 4Å; V204-C206 VanDerWaalsContact CG1-SG 3.59Å; V204-C206 PolarHBondContact O-N 3.11Å; C206-E208 PolarHBondContact O-N 2.74Å; C206-C235 HydrophobicContact CB-CB 3.21Å; C206-C235 WeakPolarHBondContact CB-SG 3.39Å; C206-C235 WeakPolarHBondContact SG-CB 3.49Å; C206-C235 CovalentContact SG-SG 2.02Å; C206-C235 PolarHBondContact SG-SG 3.27Å | ||
| 207 | I | 80.1 | Confident | 68.4 | Low | 142 Ų | 142 | 102.8 Ų | 102.8 | 73% | 0.728 | 59% | 0.589 | S | S | * | * | trans | -70.1 | 104.2 | 175.9 | -60.4 | 170.8 | 0 | 0 | 0 | 105.7 | Q209 N230 | I207-Q209 HydrophobicContact CG2-CG 4.35Å; I207-Q209 PolarHBondContact O-N 3.21Å; I207-Q209 VanDerWaalsContact O-N 3.12Å; I207-N230 PolarHBondContact O-ND2 2.82Å | ||
| 208 | E | 82.8 | Confident | 70.3 | Confident | 112 Ų | 112 | 102.3 Ų | 102.3 | 52% | 0.523 | 58% | 0.577 | S | S | . | * | trans | -62.4 | 116.4 | 178 | -69.7 | -162.6 | 171.2 | 0 | 0 | 109.8 | C206 N230 R231 | C206-E208 PolarHBondContact O-N 2.74Å; E208-N230 WeakPolarHBondContact CA-OD1 3.49Å; E208-R231 IonicContact OE1-NE 3.67Å; E208-R231 IonicContact OE2-NE 2.77Å | ||
| 209 | Q | 81.4 | Confident | 72.5 | Confident | 111 Ų | 111 | 94.7 Ų | 94.7 | 52% | 0.519 | 55% | 0.545 | S | S | . | . | trans | -116.7 | 120.5 | 174.4 | -67.7 | -176 | -31.3 | 0 | 0 | 107.7 | I207 T229 N230 M237 | I207-Q209 HydrophobicContact CG2-CG 4.35Å; I207-Q209 PolarHBondContact O-N 3.21Å; I207-Q209 VanDerWaalsContact O-N 3.12Å; Q209-T229 WeakPolarHBondContact O-CA 3.04Å; Q209-N230 PolarHBondContact N-OD1 2.99Å; Q209-N230 PolarHBondContact O-N 3.41Å; Q209-N230 VanDerWaalsContact O-N 3.12Å; Q209-N230 PolarHBondContact O-OD1 3.22Å; Q209-N230 VanDerWaalsContact O-OD1 3.06Å; Q209-M237 HydrophobicContact CB-SD 4.46Å | ||
| 210 | T | 85.4 | Confident | 74.3 | Confident | 63 Ų | 63 | 89.9 Ų | 89.9 | 39% | 0.387 | 52% | 0.517 | S | S | . | . | B | Isolated β-bridge | trans | -133.4 | 119.1 | 175.5 | -63.8 | 0 | 0 | 0 | 0 | 108.2 | T229 | T210-T229 PolarHBondContact OG1-OG1 3.09Å |
| 211 | T | 88.1 | Confident | 76.5 | Confident | 65 Ų | 65 | 85.1 Ų | 85.1 | 40% | 0.399 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 157.1 | 173.7 | 72.9 | 0 | 0 | 0 | 0 | 110.1 | V228 | T211-V228 HydrophobicContact CG2-CB 4.19Å; T211-V228 PolarHBondContact N-O 2.03Å; T211-V228 PolarHBondContact OG1-N 2.68Å; T211-V228 PolarHBondContact OG1-O 3.25Å |
| 212 | E | 86.1 | Confident | 78.8 | Confident | 165 Ų | 165 | 79.3 Ų | 79.3 | 77% | 0.771 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 157.9 | 164 | -70.9 | -56.6 | 140.4 | 0 | 0 | 111.2 | ||
| 213 | W | 87.5 | Confident | 80.9 | Confident | 47 Ų | 47 | 75 Ų | 75 | 18% | 0.178 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 135.9 | 174.7 | -73.4 | 100.1 | 0 | 0 | 0 | 110.9 | S225 R227 Q240 R242 | W213-S225 WeakPolarHBondContact CB-OG 3.44Å; W213-S225 WeakPolarHBondContact CZ3-O 3.35Å; W213-R227 HydrophobicContact CD2-CB 4.05Å; W213-R227 HydrophobicContact CD2-CG 4Å; W213-R227 VanDerWaalsContact CE2-CD 3.46Å; W213-R227 HydrophobicContact CE3-CB 3.88Å; W213-R227 HydrophobicContact CE3-CG 3.86Å; W213-R227 HydrophobicContact CH2-CG 3.78Å; W213-R227 HydrophobicContact CZ2-CG 3.92Å; W213-R227 VanDerWaalsContact CZ2-NE 3.25Å; W213-R227 HydrophobicContact CZ3-CB 4.21Å; W213-R227 HydrophobicContact CZ3-CG 3.74Å; W213-Q240 HydrophobicContact CH2-CB 4.15Å; W213-R242 VanDerWaalsContact CD1-CZ 3.43Å; W213-R242 HydrophobicContact CD2-CG 4.29Å; W213-R242 VanDerWaalsContact CD2-CZ 3.48Å; W213-R242 HydrophobicContact CE3-CG 3.77Å; W213-R242 HydrophobicContact CH2-CB 3.88Å; W213-R242 HydrophobicContact CH2-CG 3.8Å; W213-R242 HydrophobicContact CZ2-CG 4.29Å; W213-R242 HydrophobicContact CZ3-CB 3.93Å; W213-R242 HydrophobicContact CZ3-CG 3.51Å |
| 214 | T | 87.1 | Confident | 83 | Confident | 69 Ų | 69 | 73.2 Ų | 73.2 | 42% | 0.423 | 40% | 0.401 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 157.6 | 171.1 | 64.1 | 0 | 0 | 0 | 0 | 111 | S225 T226 | T214-S225 WeakPolarHBondContact O-CB 3.38Å; T214-S225 PolarHBondContact O-OG 2.83Å; T214-T226 WeakPolarHBondContact CG2-O 3.24Å; T214-T226 PolarHBondContact N-O 2.99Å; T214-T226 PolarHBondContact OG1-N 2.76Å; T214-T226 PolarHBondContact OG1-O 2.81Å; T214-T226 PolarHBondContact OG1-OG1 2.96Å |
| 215 | A | 87.1 | Confident | 84.9 | Confident | 63 Ų | 63 | 69.7 Ų | 69.7 | 52% | 0.521 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -52.8 | 152.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 111 | S217 P338 | A215-S217 PolarHBondContact O-N 3.38Å; A215-P338 HydrophobicContact CB-CB 4.18Å |
| 216 | C | 88.1 | Confident | 86 | Confident | 26 Ų | 26 | 62.4 Ų | 62.4 | 18% | 0.176 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 132.8 | 177.5 | -165.1 | 0 | 0 | 0 | 0 | 109.6 | K218 C244 V246 | C216-K218 PolarHBondContact O-N 3.26Å; C216-C244 WeakPolarHBondContact CA-SG 3.06Å; C216-C244 HydrophobicContact CB-CB 3.89Å; C216-C244 WeakPolarHBondContact CB-SG 3.35Å; C216-C244 WeakPolarHBondContact SG-CB 3.47Å; C216-C244 PolarHBondContact SG-O 2.93Å; C216-C244 CovalentContact SG-SG 2.04Å; C216-C244 PolarHBondContact SG-SG 3.4Å; C216-V246 HydrophobicContact CB-CG2 3.63Å |
| 217 | S | 89.4 | Confident | 86.7 | Confident | 75 Ų | 75 | 64 Ų | 64 | 52% | 0.524 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -61.3 | -17 | -177.6 | 70.9 | 0 | 0 | 0 | 0 | 114.1 | A215 G223 F224 | A215-S217 PolarHBondContact O-N 3.38Å; S217-G223 WeakPolarHBondContact OG-CA 3.25Å; S217-F224 WeakPolarHBondContact CB-O 3.41Å; S217-F224 PolarHBondContact N-O 3.32Å; S217-F224 PolarHBondContact OG-N 3.28Å |
| 218 | K | 84.2 | Confident | 87.1 | Confident | 113 Ų | 113 | 59.7 Ų | 59.7 | 49% | 0.491 | 32% | 0.323 | S | S | . | . | trans | -127.4 | 141.5 | 175.4 | -61.8 | -168.4 | 177.5 | -173.6 | 0 | 110.3 | C216 C220 | C216-K218 PolarHBondContact O-N 3.26Å; K218-C220 VanDerWaalsContact C-N 3.34Å; K218-C220 VanDerWaalsContact CB-O 3.25Å; K218-C220 WeakPolarHBondContact CB-O 3.39Å | ||
| 219 | S | 81.4 | Confident | 87.3 | Confident | 32 Ų | 32 | 54.4 Ų | 54.4 | 22% | 0.224 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -77.9 | -20.5 | 177.2 | 85.6 | 0 | 0 | 0 | 0 | 112.7 | R247 | S219-R247 WeakPolarHBondContact O-CG 3.01Å; S219-R247 PolarHBondContact O-NE 2.8Å; S219-R247 PolarHBondContact OG-NH2 2.97Å |
| 220 | C | 85.9 | Confident | 87.6 | Confident | 32 Ų | 32 | 49.7 Ų | 49.7 | 22% | 0.216 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -139.9 | 162 | 170.1 | 77.3 | 0 | 0 | 0 | 0 | 110.7 | K218 R247 C249 | K218-C220 VanDerWaalsContact C-N 3.34Å; K218-C220 VanDerWaalsContact CB-O 3.25Å; K218-C220 WeakPolarHBondContact CB-O 3.39Å; C220-R247 CarbonylContact C-O 3.58Å; C220-R247 VanDerWaalsContact CA-O 3.25Å; C220-R247 WeakPolarHBondContact CA-O 3.26Å; C220-R247 HydrophobicContact CB-CG 3.92Å; C220-C249 HydrophobicContact CB-CB 4.01Å; C220-C249 WeakPolarHBondContact CB-SG 3.43Å; C220-C249 WeakPolarHBondContact SG-CB 3.28Å; C220-C249 CovalentContact SG-SG 2.06Å; C220-C249 PolarHBondContact SG-SG 3.48Å |
| 221 | G | 86.7 | Confident | 87.6 | Confident | 15 Ų | 15 | 54.7 Ų | 54.7 | 16% | 0.155 | 29% | 0.289 | C | S | . | . | S | Bend | trans | 69.3 | -171.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | M245 R247 C249 | G221-M245 WeakPolarHBondContact O-CA 3.46Å; G221-M245 WeakPolarHBondContact O-CG 3.36Å; G221-R247 PolarHBondContact N-O 2.74Å; G221-C249 PolarHBondContact N-SG 2.77Å |
| 222 | M | 91.6 | Very high | 87.4 | Confident | 28 Ų | 28 | 54 Ų | 54 | 14% | 0.138 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 123.1 | -179.5 | -168.2 | 138.6 | -69.7 | 0 | 0 | 111.2 | L243 C244 M245 L276 Q277 F278 | M222-L243 HydrophobicContact CG-CB 4.41Å; M222-L243 HydrophobicContact CG-CD2 4.28Å; M222-L243 HydrophobicContact SD-CB 4.12Å; M222-L243 HydrophobicContact SD-CD1 3.95Å; M222-L243 HydrophobicContact SD-CD2 4.44Å; M222-L243 HydrophobicContact SD-CG 4.4Å; M222-C244 WeakPolarHBondContact CA-O 3.47Å; M222-M245 HydrophobicContact CE-CB 4.1Å; M222-M245 HydrophobicContact CE-SD 4.27Å; M222-L276 HydrophobicContact CE-CB 4.43Å; M222-L276 HydrophobicContact CE-CD2 4.35Å; M222-Q277 VanDerWaalsContact SD-O 3.38Å; M222-F278 HydrophobicContact CG-CD2 4.05Å; M222-F278 HydrophobicContact SD-CB 3.84Å; M222-F278 HydrophobicContact SD-CD2 4.28Å; M222-F278 HydrophobicContact SD-CG 4.44Å |
| 223 | G | 91.9 | Very high | 87.2 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | -163.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S217 L243 C244 | S217-G223 WeakPolarHBondContact OG-CA 3.25Å; G223-L243 WeakPolarHBondContact O-CA 3.38Å; G223-C244 PolarHBondContact N-O 3.3Å; G223-C244 PolarHBondContact O-N 2.93Å |
| 224 | F | 91.9 | Very high | 86.9 | Confident | 86 Ų | 86 | 61.5 Ų | 61.5 | 38% | 0.377 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 146.3 | -179.4 | -55.4 | -82.2 | 0 | 0 | 0 | 112 | S217 T241 R242 L243 C244 F278 | S217-F224 WeakPolarHBondContact CB-O 3.41Å; S217-F224 PolarHBondContact N-O 3.32Å; S217-F224 PolarHBondContact OG-N 3.28Å; F224-T241 HydrophobicContact CB-CG2 4.08Å; F224-T241 HydrophobicContact CD1-CG2 3.82Å; F224-T241 HydrophobicContact CG-CG2 4.32Å; F224-R242 WeakPolarHBondContact CA-O 3.38Å; F224-L243 HydrophobicContact CD1-CD2 3.79Å; F224-L243 HydrophobicContact CE1-CD2 3.52Å; F224-L243 HydrophobicContact CZ-CD2 4.4Å; F224-C244 PolarHBondContact N-SG 2.87Å; F224-C244 VanDerWaalsContact N-SG 3.42Å; F224-C244 PolarHBondContact O-SG 2.95Å; F224-C244 VanDerWaalsContact O-SG 3.39Å; F224-F278 AromaticContact CE1-CE2 3.69Å; F224-F278 HydrophobicContact CE1-CE2 3.69Å; F224-F278 AromaticContact CE1-CZ 3.68Å; F224-F278 HydrophobicContact CE1-CZ 3.68Å; F224-F278 HydrophobicContact CE2-CE2 4.38Å; F224-F278 AromaticContact CZ-CE2 3.4Å; F224-F278 HydrophobicContact CZ-CE2 3.4Å; F224-F278 AromaticContact CZ-CZ 3.53Å; F224-F278 HydrophobicContact CZ-CZ 3.53Å |
| 225 | S | 88.7 | Confident | 86.8 | Confident | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.007 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 137.6 | 169.7 | 170.8 | 0 | 0 | 0 | 0 | 107.3 | W213 T214 T241 R242 | W213-S225 WeakPolarHBondContact CB-OG 3.44Å; W213-S225 WeakPolarHBondContact CZ3-O 3.35Å; T214-S225 WeakPolarHBondContact O-CB 3.38Å; T214-S225 PolarHBondContact O-OG 2.83Å; S225-T241 WeakPolarHBondContact O-CA 3.46Å; S225-R242 PolarHBondContact N-O 3.07Å; S225-R242 PolarHBondContact O-N 3.2Å |
| 226 | T | 86.8 | Confident | 86.6 | Confident | 31 Ų | 31 | 62.1 Ų | 62.1 | 19% | 0.19 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 152.9 | -173.8 | 59.2 | 0 | 0 | 0 | 0 | 110.8 | T214 Q240 T241 | T214-T226 WeakPolarHBondContact CG2-O 3.24Å; T214-T226 PolarHBondContact N-O 2.99Å; T214-T226 PolarHBondContact OG1-N 2.76Å; T214-T226 PolarHBondContact OG1-O 2.81Å; T214-T226 PolarHBondContact OG1-OG1 2.96Å; T226-Q240 CarbonylContact C-O 3.58Å; T226-Q240 WeakPolarHBondContact CA-O 3.19Å; T226-T241 HydrophobicContact CG2-CG2 4Å |
| 227 | R | 88.5 | Confident | 86.4 | Confident | 67 Ų | 67 | 65.5 Ų | 65.5 | 25% | 0.253 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 162.7 | 168.8 | 69.7 | 173.9 | 178.9 | 179.1 | 4.1 | 109.3 | W213 K239 Q240 | W213-R227 HydrophobicContact CD2-CB 4.05Å; W213-R227 HydrophobicContact CD2-CG 4Å; W213-R227 VanDerWaalsContact CE2-CD 3.46Å; W213-R227 HydrophobicContact CE3-CB 3.88Å; W213-R227 HydrophobicContact CE3-CG 3.86Å; W213-R227 HydrophobicContact CH2-CG 3.78Å; W213-R227 HydrophobicContact CZ2-CG 3.92Å; W213-R227 VanDerWaalsContact CZ2-NE 3.25Å; W213-R227 HydrophobicContact CZ3-CB 4.21Å; W213-R227 HydrophobicContact CZ3-CG 3.74Å; R227-K239 CarbonylContact O-C 3.59Å; R227-K239 WeakPolarHBondContact O-CA 3.06Å; R227-Q240 HydrophobicContact CG-CB 3.96Å; R227-Q240 VanDerWaalsContact CZ-OE1 3.22Å; R227-Q240 PolarHBondContact N-O 3.25Å; R227-Q240 PolarHBondContact O-N 2.95Å |
| 228 | V | 88.9 | Confident | 86.1 | Confident | 52 Ų | 52 | 66 Ų | 66 | 32% | 0.315 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 133.7 | 170.2 | -173.7 | 0 | 0 | 0 | 0 | 108.3 | T211 M237 L238 | T211-V228 HydrophobicContact CG2-CB 4.19Å; T211-V228 PolarHBondContact N-O 2.03Å; T211-V228 PolarHBondContact OG1-N 2.68Å; T211-V228 PolarHBondContact OG1-O 3.25Å; V228-M237 HydrophobicContact CB-CE 4.35Å; V228-M237 HydrophobicContact CG1-CB 3.99Å; V228-M237 HydrophobicContact CG1-CE 3.54Å; V228-M237 HydrophobicContact CG1-SD 3.96Å; V228-L238 WeakPolarHBondContact CA-O 3.44Å |
| 229 | T | 86.5 | Confident | 86.2 | Confident | 2 Ų | 2 | 67.7 Ų | 67.7 | 1% | 0.012 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 139.5 | 176.8 | 179.6 | 0 | 0 | 0 | 0 | 110.5 | Q209 T210 R231 L238 Q240 | Q209-T229 WeakPolarHBondContact O-CA 3.04Å; T210-T229 PolarHBondContact OG1-OG1 3.09Å; T229-R231 VanDerWaalsContact C-N 3.33Å; T229-R231 VanDerWaalsContact OG1-CB 3.28Å; T229-R231 WeakPolarHBondContact OG1-CB 3.39Å; T229-R231 PolarHBondContact OG1-N 2.77Å; T229-R231 VanDerWaalsContact OG1-N 3.07Å; T229-L238 PolarHBondContact N-O 3.34Å; T229-L238 PolarHBondContact O-N 3.35Å; T229-Q240 HydrophobicContact CG2-CG 3.72Å; T229-Q240 VanDerWaalsContact CG2-NE2 3.34Å |
| 230 | N | 88.3 | Confident | 86.5 | Confident | 12 Ų | 12 | 69.4 Ų | 69.4 | 6% | 0.064 | 32% | 0.323 | C | S | . | . | trans | -94.5 | 14.1 | 168.6 | 67.1 | -4 | 0 | 0 | 0 | 112.9 | I207 E208 Q209 N232 C235 E236 M237 | I207-N230 PolarHBondContact O-ND2 2.82Å; E208-N230 WeakPolarHBondContact CA-OD1 3.49Å; Q209-N230 PolarHBondContact N-OD1 2.99Å; Q209-N230 PolarHBondContact O-N 3.41Å; Q209-N230 VanDerWaalsContact O-N 3.12Å; Q209-N230 PolarHBondContact O-OD1 3.22Å; Q209-N230 VanDerWaalsContact O-OD1 3.06Å; N230-N232 PolarHBondContact O-N 2.69Å; N230-C235 WeakPolarHBondContact O-CA 3.05Å; N230-E236 VanDerWaalsContact CA-O 3.32Å; N230-E236 WeakPolarHBondContact CA-O 3.47Å; N230-M237 HydrophobicContact CB-CG 4.12Å; N230-M237 HydrophobicContact CB-SD 3.6Å; N230-M237 VanDerWaalsContact CB-SD 3.6Å | ||
| 231 | R | 85.3 | Confident | 86.7 | Confident | 168 Ų | 168 | 70.9 Ų | 70.9 | 63% | 0.634 | 33% | 0.331 | S | S | * | . | trans | -75.5 | 73.4 | 177.5 | -169 | 173 | 177.4 | 171.1 | 0.5 | 111.2 | E208 T229 | E208-R231 IonicContact OE1-NE 3.67Å; E208-R231 IonicContact OE2-NE 2.77Å; T229-R231 VanDerWaalsContact C-N 3.33Å; T229-R231 VanDerWaalsContact OG1-CB 3.28Å; T229-R231 WeakPolarHBondContact OG1-CB 3.39Å; T229-R231 PolarHBondContact OG1-N 2.77Å; T229-R231 VanDerWaalsContact OG1-N 3.07Å | ||
| 232 | N | 84.5 | Confident | 87.1 | Confident | 49 Ų | 49 | 70.5 Ų | 70.5 | 26% | 0.262 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -146.1 | 165.7 | 172.1 | 61.5 | 67.8 | 0 | 0 | 0 | 109.1 | N230 Q234 C235 E236 | N230-N232 PolarHBondContact O-N 2.69Å; N232-Q234 PolarHBondContact O-N 2.85Å; N232-Q234 WeakPolarHBondContact OD1-CA 3.33Å; N232-Q234 PolarHBondContact OD1-N 3.47Å; N232-C235 PolarHBondContact O-N 2.05Å; N232-C235 PolarHBondContact O-SG 2.82Å; N232-C235 PolarHBondContact OD1-N 3.3Å; N232-E236 PolarHBondContact ND2-O 3.11Å; N232-E236 PolarHBondContact OD1-N 2.96Å |
| 233 | R | 80.9 | Confident | 87.3 | Confident | 226 Ų | 226 | 69.4 Ų | 69.4 | 85% | 0.853 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -22 | -175.4 | -70.1 | -173.9 | 175.6 | 162.1 | -2.1 | 114.3 | ||
| 234 | Q | 81.1 | Confident | 87.3 | Confident | 144 Ų | 144 | 69.4 Ų | 69.4 | 67% | 0.673 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | -2.7 | -178.6 | -48.1 | -48.2 | -20.7 | 0 | 0 | 113.1 | N232 E236 | N232-Q234 PolarHBondContact O-N 2.85Å; N232-Q234 WeakPolarHBondContact OD1-CA 3.33Å; N232-Q234 PolarHBondContact OD1-N 3.47Å; Q234-E236 HydrophobicContact CB-CG 4.09Å; Q234-E236 PolarHBondContact O-N 2.83Å |
| 235 | C | 84.4 | Confident | 87.3 | Confident | 30 Ų | 30 | 66.7 Ų | 66.7 | 20% | 0.203 | 31% | 0.309 | C | S | . | . | trans | 49.5 | 34.9 | -175 | -53.4 | 0 | 0 | 0 | 0 | 116 | V204 C206 N230 N232 | V204-C235 WeakPolarHBondContact CG1-SG 3.31Å; C206-C235 HydrophobicContact CB-CB 3.21Å; C206-C235 WeakPolarHBondContact CB-SG 3.39Å; C206-C235 WeakPolarHBondContact SG-CB 3.49Å; C206-C235 CovalentContact SG-SG 2.02Å; C206-C235 PolarHBondContact SG-SG 3.27Å; N230-C235 WeakPolarHBondContact O-CA 3.05Å; N232-C235 PolarHBondContact O-N 2.05Å; N232-C235 PolarHBondContact O-SG 2.82Å; N232-C235 PolarHBondContact OD1-N 3.3Å | ||
| 236 | E | 84 | Confident | 87.3 | Confident | 116 Ų | 116 | 67.5 Ų | 67.5 | 54% | 0.542 | 31% | 0.313 | S | S | . | . | trans | -82.5 | 136.8 | 173.8 | -67.5 | 178.3 | 174.4 | 0 | 0 | 110.8 | N230 N232 Q234 L238 | N230-E236 VanDerWaalsContact CA-O 3.32Å; N230-E236 WeakPolarHBondContact CA-O 3.47Å; N232-E236 PolarHBondContact ND2-O 3.11Å; N232-E236 PolarHBondContact OD1-N 2.96Å; Q234-E236 HydrophobicContact CB-CG 4.09Å; Q234-E236 PolarHBondContact O-N 2.83Å; E236-L238 HydrophobicContact CB-CG 4.37Å; E236-L238 PolarHBondContact O-N 2.92Å; E236-L238 VanDerWaalsContact O-N 3.07Å | ||
| 237 | M | 83.3 | Confident | 87.3 | Confident | 97 Ų | 97 | 70.4 Ų | 70.4 | 48% | 0.478 | 32% | 0.321 | S | S | . | . | trans | -70.5 | 106.5 | 175.2 | -75.6 | -69.6 | -93 | 0 | 0 | 110.6 | Q209 V228 N230 | Q209-M237 HydrophobicContact CB-SD 4.46Å; V228-M237 HydrophobicContact CB-CE 4.35Å; V228-M237 HydrophobicContact CG1-CB 3.99Å; V228-M237 HydrophobicContact CG1-CE 3.54Å; V228-M237 HydrophobicContact CG1-SD 3.96Å; N230-M237 HydrophobicContact CB-CG 4.12Å; N230-M237 HydrophobicContact CB-SD 3.6Å; N230-M237 VanDerWaalsContact CB-SD 3.6Å | ||
| 238 | L | 84.3 | Confident | 87.2 | Confident | 84 Ų | 84 | 69.1 Ų | 69.1 | 44% | 0.44 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 140.3 | -178.4 | -64.3 | 177.8 | 0 | 0 | 0 | 111.7 | V228 T229 E236 Q240 | V228-L238 WeakPolarHBondContact CA-O 3.44Å; T229-L238 PolarHBondContact N-O 3.34Å; T229-L238 PolarHBondContact O-N 3.35Å; E236-L238 HydrophobicContact CB-CG 4.37Å; E236-L238 PolarHBondContact O-N 2.92Å; E236-L238 VanDerWaalsContact O-N 3.07Å; L238-Q240 PolarHBondContact O-N 2.77Å |
| 239 | K | 85.9 | Confident | 86.8 | Confident | 149 Ų | 149 | 70.5 Ų | 70.5 | 65% | 0.648 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 111.1 | 173 | -176.5 | 177.3 | 179.2 | 176 | 0 | 110.1 | R227 | R227-K239 CarbonylContact O-C 3.59Å; R227-K239 WeakPolarHBondContact O-CA 3.06Å |
| 240 | Q | 88.1 | Confident | 86 | Confident | 69 Ų | 69 | 79 Ų | 79 | 32% | 0.322 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 137.9 | 170.2 | -68.9 | -174 | -15.1 | 0 | 0 | 110.4 | W213 T226 R227 T229 L238 | W213-Q240 HydrophobicContact CH2-CB 4.15Å; T226-Q240 CarbonylContact C-O 3.58Å; T226-Q240 WeakPolarHBondContact CA-O 3.19Å; R227-Q240 HydrophobicContact CG-CB 3.96Å; R227-Q240 VanDerWaalsContact CZ-OE1 3.22Å; R227-Q240 PolarHBondContact N-O 3.25Å; R227-Q240 PolarHBondContact O-N 2.95Å; T229-Q240 HydrophobicContact CG2-CG 3.72Å; T229-Q240 VanDerWaalsContact CG2-NE2 3.34Å; L238-Q240 PolarHBondContact O-N 2.77Å |
| 241 | T | 89.7 | Confident | 84.5 | Confident | 63 Ų | 63 | 85.7 Ų | 85.7 | 39% | 0.387 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 134.1 | 177.1 | -56 | 0 | 0 | 0 | 0 | 109.6 | F224 S225 T226 P324 | F224-T241 HydrophobicContact CB-CG2 4.08Å; F224-T241 HydrophobicContact CD1-CG2 3.82Å; F224-T241 HydrophobicContact CG-CG2 4.32Å; S225-T241 WeakPolarHBondContact O-CA 3.46Å; T226-T241 HydrophobicContact CG2-CG2 4Å; T241-P324 VanDerWaalsContact O-CG 3.3Å; T241-P324 WeakPolarHBondContact O-CG 3.28Å |
| 242 | R | 94.3 | Very high | 82.5 | Confident | 6 Ų | 6 | 86.3 Ų | 86.3 | 2% | 0.023 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 151.4 | 172 | 72.8 | -178.8 | 176.5 | 173.4 | 1.5 | 111.4 | W213 F224 S225 T306 T308 P324 M326 | W213-R242 VanDerWaalsContact CD1-CZ 3.43Å; W213-R242 HydrophobicContact CD2-CG 4.29Å; W213-R242 VanDerWaalsContact CD2-CZ 3.48Å; W213-R242 HydrophobicContact CE3-CG 3.77Å; W213-R242 HydrophobicContact CH2-CB 3.88Å; W213-R242 HydrophobicContact CH2-CG 3.8Å; W213-R242 HydrophobicContact CZ2-CG 4.29Å; W213-R242 HydrophobicContact CZ3-CB 3.93Å; W213-R242 HydrophobicContact CZ3-CG 3.51Å; F224-R242 WeakPolarHBondContact CA-O 3.38Å; S225-R242 PolarHBondContact N-O 3.07Å; S225-R242 PolarHBondContact O-N 3.2Å; R242-T306 PolarHBondContact NH1-OG1 2.83Å; R242-T306 PolarHBondContact NH2-OG1 2.83Å; R242-T308 HydrophobicContact CB-CG2 4.39Å; R242-T308 WeakPolarHBondContact CD-OG1 3.39Å; R242-T308 PolarHBondContact NH1-OG1 3.01Å; R242-P324 WeakPolarHBondContact CA-O 3.46Å; R242-P324 HydrophobicContact CB-CB 4.04Å; R242-P324 HydrophobicContact CB-CG 4.22Å; R242-M326 PolarHBondContact NH2-SD 2.8Å; R242-M326 VanDerWaalsContact NH2-SD 3.4Å |
| 243 | L | 95 | Very high | 80.5 | Confident | 6 Ų | 6 | 89.6 Ų | 89.6 | 3% | 0.031 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 140.1 | 170 | -61.8 | 175.2 | 0 | 0 | 0 | 109.5 | M222 G223 F224 F278 F313 K323 P324 V325 M326 | M222-L243 HydrophobicContact CG-CB 4.41Å; M222-L243 HydrophobicContact CG-CD2 4.28Å; M222-L243 HydrophobicContact SD-CB 4.12Å; M222-L243 HydrophobicContact SD-CD1 3.95Å; M222-L243 HydrophobicContact SD-CD2 4.44Å; M222-L243 HydrophobicContact SD-CG 4.4Å; G223-L243 WeakPolarHBondContact O-CA 3.38Å; F224-L243 HydrophobicContact CD1-CD2 3.79Å; F224-L243 HydrophobicContact CE1-CD2 3.52Å; F224-L243 HydrophobicContact CZ-CD2 4.4Å; L243-F278 HydrophobicContact CD1-CB 4.19Å; L243-F278 HydrophobicContact CD1-CD1 4.27Å; L243-F278 HydrophobicContact CD1-CD2 4.32Å; L243-F278 HydrophobicContact CD1-CG 3.98Å; L243-F278 HydrophobicContact CD2-CD1 4.43Å; L243-F278 HydrophobicContact CD2-CD2 3.59Å; L243-F278 HydrophobicContact CD2-CE1 4.38Å; L243-F278 HydrophobicContact CD2-CE2 3.53Å; L243-F278 HydrophobicContact CD2-CG 4.05Å; L243-F278 HydrophobicContact CD2-CZ 3.94Å; L243-F313 HydrophobicContact CD1-CE2 4.24Å; L243-F313 HydrophobicContact CD1-CZ 4.11Å; L243-K323 HydrophobicContact CD1-CB 3.93Å; L243-K323 HydrophobicContact CD1-CG 4.43Å; L243-P324 PolarHBondContact N-O 2.89Å; L243-V325 HydrophobicContact CB-CG2 4.2Å; L243-V325 HydrophobicContact CD1-CG2 4.22Å; L243-V325 CarbonylContact O-C 3.55Å; L243-V325 WeakPolarHBondContact O-CA 3.42Å; L243-M326 WeakPolarHBondContact O-CB 3.29Å; L243-M326 PolarHBondContact O-N 3.13Å |
| 244 | C | 93.8 | Very high | 78.6 | Confident | 0 Ų | 0 | 85.9 Ų | 85.9 | 0% | 0 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 147.4 | 177.4 | 57 | 0 | 0 | 0 | 0 | 110.5 | C216 M222 G223 F224 M326 | C216-C244 WeakPolarHBondContact CA-SG 3.06Å; C216-C244 HydrophobicContact CB-CB 3.89Å; C216-C244 WeakPolarHBondContact CB-SG 3.35Å; C216-C244 WeakPolarHBondContact SG-CB 3.47Å; C216-C244 PolarHBondContact SG-O 2.93Å; C216-C244 CovalentContact SG-SG 2.04Å; C216-C244 PolarHBondContact SG-SG 3.4Å; M222-C244 WeakPolarHBondContact CA-O 3.47Å; G223-C244 PolarHBondContact N-O 3.3Å; G223-C244 PolarHBondContact O-N 2.93Å; F224-C244 PolarHBondContact N-SG 2.87Å; F224-C244 VanDerWaalsContact N-SG 3.42Å; F224-C244 PolarHBondContact O-SG 2.95Å; F224-C244 VanDerWaalsContact O-SG 3.39Å; C244-M326 HydrophobicContact CB-CB 4.12Å; C244-M326 HydrophobicContact CB-CE 3.53Å; C244-M326 HydrophobicContact CB-SD 4Å |
| 245 | M | 91.2 | Very high | 76.5 | Confident | 29 Ų | 29 | 87.7 Ų | 87.7 | 14% | 0.143 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 104.9 | 173.9 | -177 | 162 | 76 | 0 | 0 | 108.6 | G221 M222 I274 L276 F291 | G221-M245 WeakPolarHBondContact O-CA 3.46Å; G221-M245 WeakPolarHBondContact O-CG 3.36Å; M222-M245 HydrophobicContact CE-CB 4.1Å; M222-M245 HydrophobicContact CE-SD 4.27Å; M245-I274 HydrophobicContact CE-CD1 4.12Å; M245-L276 HydrophobicContact CE-CD2 3.94Å; M245-F291 HydrophobicContact CE-CE1 3.42Å; M245-F291 VanDerWaalsContact CE-CE1 3.42Å; M245-F291 HydrophobicContact CE-CZ 3.55Å; M245-F291 HydrophobicContact CG-CE1 3.97Å; M245-F291 HydrophobicContact SD-CE1 4.37Å |
| 246 | V | 88.5 | Confident | 74.5 | Confident | 17 Ų | 17 | 90.7 Ų | 90.7 | 10% | 0.103 | 46% | 0.456 | C | S | . | . | S | Bend | trans | -73 | -42 | -177 | -179.1 | 0 | 0 | 0 | 0 | 110.7 | C216 F291 C292 P303 | C216-V246 HydrophobicContact CB-CG2 3.63Å; V246-F291 CarbonylContact O-C 3.6Å; V246-F291 VanDerWaalsContact O-CA 3.3Å; V246-F291 WeakPolarHBondContact O-CA 3.39Å; V246-F291 WeakPolarHBondContact O-CB 3.38Å; V246-C292 HydrophobicContact CG1-CB 3.89Å; V246-C292 PolarHBondContact O-N 2.02Å; V246-P303 HydrophobicContact CG2-CG 4.28Å |
| 247 | R | 86.4 | Confident | 72.2 | Confident | 92 Ų | 92 | 91.6 Ų | 91.6 | 35% | 0.347 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -159 | 152.4 | 178.9 | 52.6 | -175 | 172 | 175.6 | 4.3 | 109.7 | S219 C220 G221 F291 | S219-R247 WeakPolarHBondContact O-CG 3.01Å; S219-R247 PolarHBondContact O-NE 2.8Å; S219-R247 PolarHBondContact OG-NH2 2.97Å; C220-R247 CarbonylContact C-O 3.58Å; C220-R247 VanDerWaalsContact CA-O 3.25Å; C220-R247 WeakPolarHBondContact CA-O 3.26Å; C220-R247 HydrophobicContact CB-CG 3.92Å; G221-R247 PolarHBondContact N-O 2.74Å; R247-F291 HydrophobicContact CB-CB 4.43Å |
| 248 | P | 86.3 | Confident | 70.2 | Confident | 40 Ų | 40 | 94.3 Ų | 94.3 | 26% | 0.26 | 49% | 0.487 | S | S | . | . | trans | -64.8 | 153.2 | 168.5 | 28.3 | -33.5 | 0 | 0 | 0 | 110.7 | Q251 F291 | P248-Q251 HydrophobicContact CG-CB 4.46Å; P248-F291 HydrophobicContact CG-CD2 4.45Å; P248-F291 HydrophobicContact CG-CE2 4.38Å | ||
| 249 | C | 81.7 | Confident | 68.2 | Low | 82 Ų | 82 | 99.6 Ų | 99.6 | 55% | 0.554 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -83 | -32.5 | 175.7 | -61.2 | 0 | 0 | 0 | 0 | 112.2 | C220 G221 | C220-C249 HydrophobicContact CB-CB 4.01Å; C220-C249 WeakPolarHBondContact CB-SG 3.43Å; C220-C249 WeakPolarHBondContact SG-CB 3.28Å; C220-C249 CovalentContact SG-SG 2.06Å; C220-C249 PolarHBondContact SG-SG 3.48Å; G221-C249 PolarHBondContact N-SG 2.77Å |
| 250 | E | 69.4 | Low | 66 | Low | 180 Ų | 180 | 102.7 Ų | 102.7 | 84% | 0.841 | 52% | 0.52 | S | S | * | . | trans | -107.4 | 91.8 | 178.3 | -70 | 174.6 | -174 | 0 | 0 | 110 | ||||
| 251 | Q | 55.8 | Low | 64.1 | Low | 152 Ų | 152 | 102.9 Ų | 102.9 | 71% | 0.71 | 54% | 0.54 | S | S | * | . | trans | -154.9 | 111.9 | 154.5 | -115.1 | 164.5 | 56.4 | 0 | 0 | 107.6 | P248 | P248-Q251 HydrophobicContact CG-CB 4.46Š| ||
| 252 | E | 43.1 | Very low | 62 | Low | 181 Ų | 181 | 108.9 Ų | 108.9 | 85% | 0.846 | 56% | 0.56 | S | S | * | * | trans | -48.9 | 143.1 | 170.4 | -70.2 | -168 | 147.6 | 0 | 0 | 110.4 | E254 | E252-E254 PolarHBondContact O-N 3.2Š| ||
| 253 | P | 42.9 | Very low | 60.1 | Low | 118 Ų | 118 | 115.6 Ų | 115.6 | 77% | 0.766 | 59% | 0.59 | S | S | * | * | trans | -66.9 | 97.5 | 174.5 | 27.1 | -30.9 | 0 | 0 | 0 | 109.4 | Q255 | P253-Q255 PolarHBondContact O-N 3.26Š| ||
| 254 | E | 41.4 | Very low | 58.1 | Low | 149 Ų | 149 | 116.9 Ų | 116.9 | 70% | 0.696 | 60% | 0.599 | S | S | * | * | trans | -55.3 | 111.2 | 155.7 | -80.5 | -179 | 168.8 | 0 | 0 | 107.3 | E252 | E252-E254 PolarHBondContact O-N 3.2Š| ||
| 255 | Q | 36.3 | Very low | 56.3 | Low | 182 Ų | 182 | 121 Ų | 121 | 85% | 0.85 | 62% | 0.621 | S | S | * | * | trans | -44.6 | 130.6 | -171.6 | -73 | 176.5 | -16.3 | 0 | 0 | 112.2 | P253 T257 | P253-Q255 PolarHBondContact O-N 3.26Å; Q255-T257 PolarHBondContact O-N 3.11Å | ||
| 256 | P | 42.7 | Very low | 54.4 | Low | 92 Ų | 92 | 130.1 Ų | 130.1 | 60% | 0.597 | 65% | 0.653 | S | S | * | * | trans | -74.7 | 124.2 | 173.1 | 9.3 | 3.9 | 0 | 0 | 0 | 109.7 | D258 | P256-D258 PolarHBondContact O-N 2.88Š| ||
| 257 | T | 36.3 | Very low | 52.7 | Low | 135 Ų | 135 | 131.4 Ų | 131.4 | 83% | 0.828 | 66% | 0.661 | S | S | * | * | trans | -67.1 | 112.4 | 160.7 | 35.8 | 0 | 0 | 0 | 0 | 108.2 | Q255 K259 | Q255-T257 PolarHBondContact O-N 3.11Å; T257-K259 PolarHBondContact O-N 2.86Å; T257-K259 VanDerWaalsContact O-N 3.1Å | ||
| 258 | D | 40.4 | Very low | 51.3 | Low | 155 Ų | 155 | 133.1 Ų | 133.1 | 83% | 0.829 | 67% | 0.671 | S | S | * | * | trans | -53.9 | 111.6 | -178.4 | -85 | -49.4 | 0 | 0 | 0 | 112 | P256 | P256-D258 PolarHBondContact O-N 2.88Š| ||
| 259 | K | 43.9 | Very low | 49.7 | Very low | 195 Ų | 195 | 137.3 Ų | 137.3 | 85% | 0.848 | 69% | 0.685 | S | S | * | * | trans | -128 | 99.3 | 156.4 | -67.9 | -168.6 | -179.6 | -175.1 | 0 | 108 | T257 G261 | T257-K259 PolarHBondContact O-N 2.86Å; T257-K259 VanDerWaalsContact O-N 3.1Å; K259-G261 PolarHBondContact O-N 2.91Å | ||
| 260 | K | 39.3 | Very low | 48.5 | Very low | 214 Ų | 214 | 134.4 Ų | 134.4 | 93% | 0.93 | 67% | 0.666 | S | S | * | * | trans | -48.4 | 128.2 | 173.1 | -87.6 | 177.4 | 173.9 | 175.5 | 0 | 110.1 | ||||
| 261 | G | 47.9 | Very low | 48.1 | Very low | 72 Ų | 72 | 133.4 Ų | 133.4 | 74% | 0.742 | 67% | 0.665 | S | S | * | * | trans | 117.1 | 39.7 | 153.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | K259 | K259-G261 PolarHBondContact O-N 2.91Š| ||
| 262 | K | 45.1 | Very low | 48.7 | Very low | 189 Ų | 189 | 133.9 Ų | 133.9 | 82% | 0.822 | 67% | 0.665 | S | S | * | * | trans | -145.8 | 134.3 | 154.3 | -65.6 | -167 | -179.9 | -179.3 | 0 | 111.7 | ||||
| 263 | K | 55.5 | Low | 50.7 | Low | 148 Ų | 148 | 127.2 Ų | 127.2 | 64% | 0.643 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -82.2 | -8 | -154.3 | -89.8 | 173.9 | 172.4 | -176.7 | 0 | 118.9 | C333 | K263-C333 PolarHBondContact O-SG 2.79Š|
| 264 | C | 52.1 | Low | 52.9 | Low | 32 Ų | 32 | 124.3 Ų | 124.3 | 22% | 0.216 | 62% | 0.619 | C | S | . | * | S | Bend | trans | -125.2 | 121.7 | 153.9 | -168.7 | 0 | 0 | 0 | 0 | 106.1 | R266 C301 C333 | C264-R266 PolarHBondContact O-N 2.84Å; C264-C301 WeakPolarHBondContact CB-SG 3.03Å; C264-C301 WeakPolarHBondContact SG-CB 3.44Å; C264-C301 CovalentContact SG-SG 2.08Å; C264-C301 PolarHBondContact SG-SG 3.36Å; C264-C333 WeakPolarHBondContact CB-SG 3.31Å |
| 265 | L | 55.1 | Low | 55.3 | Low | 88 Ų | 88 | 121.5 Ų | 121.5 | 46% | 0.461 | 61% | 0.605 | S | S | . | * | trans | -57.5 | 103.9 | 174.7 | -84.2 | 147.7 | 0 | 0 | 0 | 107.3 | ||||
| 266 | R | 52.7 | Low | 57.9 | Low | 220 Ų | 220 | 113.2 Ų | 113.2 | 83% | 0.83 | 57% | 0.567 | S | S | * | * | trans | 21.2 | 104.5 | 161.3 | -162.8 | 174.4 | -172 | 152.3 | -0.5 | 112.8 | C264 K268 | C264-R266 PolarHBondContact O-N 2.84Å; R266-K268 VanDerWaalsContact C-N 3.3Å; R266-K268 PolarHBondContact O-N 3.38Å | ||
| 267 | T | 52.5 | Low | 60.2 | Low | 44 Ų | 44 | 115.5 Ų | 115.5 | 27% | 0.27 | 57% | 0.57 | S | S | . | * | trans | -42.6 | 97.7 | 161.9 | -47.1 | 0 | 0 | 0 | 0 | 108.3 | K269 R290 F291 | T267-K269 PolarHBondContact O-N 2.73Å; T267-R290 HydrophobicContact CG2-CB 3.76Å; T267-R290 HydrophobicContact CG2-CG 4.08Å; T267-F291 WeakPolarHBondContact CG2-O 3.33Å | ||
| 268 | K | 55.9 | Low | 62.7 | Low | 127 Ų | 127 | 110.6 Ų | 110.6 | 55% | 0.552 | 54% | 0.537 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 104.4 | -180 | -81.8 | -163.8 | 179.9 | -174.5 | 0 | 103.9 | R266 S270 F291 | R266-K268 VanDerWaalsContact C-N 3.3Å; R266-K268 PolarHBondContact O-N 3.38Å; K268-S270 PolarHBondContact O-N 2.03Å; K268-F291 PolarHBondContact O-N 2.85Å |
| 269 | K | 53.8 | Low | 64.9 | Low | 128 Ų | 128 | 111.5 Ų | 111.5 | 56% | 0.557 | 53% | 0.533 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.9 | 127.6 | 159.7 | -98.3 | -174.8 | 170.4 | -178.5 | 0 | 105.1 | T267 L271 R290 | T267-K269 PolarHBondContact O-N 2.73Å; K269-L271 PolarHBondContact O-N 2.78Å; K269-R290 HydrophobicContact CG-CG 3.59Å |
| 270 | S | 57.3 | Low | 67.1 | Low | 21 Ų | 21 | 108.5 Ų | 108.5 | 15% | 0.147 | 53% | 0.526 | C | S | . | . | trans | -52.7 | 120.9 | 169.8 | -175.5 | 0 | 0 | 0 | 0 | 108 | K268 K272 P289 | K268-S270 PolarHBondContact O-N 2.03Å; S270-K272 WeakPolarHBondContact CB-O 3.35Å; S270-K272 PolarHBondContact O-N 3.14Å; S270-K272 PolarHBondContact OG-O 2.81Å; S270-P289 WeakPolarHBondContact CB-O 3.49Å; S270-P289 PolarHBondContact N-O 3.06Å | ||
| 271 | L | 60.3 | Low | 69.6 | Low | 159 Ų | 159 | 99 Ų | 99 | 83% | 0.832 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -66 | -23.6 | 178.8 | -66.1 | 172.7 | 0 | 0 | 0 | 110.7 | K269 | K269-L271 PolarHBondContact O-N 2.78Š|
| 272 | K | 68.9 | Low | 71.8 | Confident | 163 Ų | 163 | 98.5 Ų | 98.5 | 71% | 0.709 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -112.3 | 140.6 | -179.2 | -62.4 | 179.6 | -179.4 | 177.2 | 0 | 110.7 | S270 | S270-K272 WeakPolarHBondContact CB-O 3.35Å; S270-K272 PolarHBondContact O-N 3.14Å; S270-K272 PolarHBondContact OG-O 2.81Å |
| 273 | A | 85 | Confident | 74.2 | Confident | 41 Ų | 41 | 89.6 Ų | 89.6 | 34% | 0.339 | 43% | 0.431 | S | S | . | . | trans | -73.7 | 128.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108 | Y287 K288 | A273-Y287 CarbonylContact C-O 3.56Å; A273-Y287 VanDerWaalsContact CA-O 3.28Å; A273-Y287 WeakPolarHBondContact CA-O 3.09Å; A273-K288 HydrophobicContact CB-CG 3.75Å | ||
| 274 | I | 88.1 | Confident | 75.9 | Confident | 57 Ų | 57 | 85.4 Ų | 85.4 | 29% | 0.292 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 151.2 | -175.8 | 64.4 | 171.5 | 0 | 0 | 0 | 110.2 | M245 T286 Y287 P289 F291 | M245-I274 HydrophobicContact CE-CD1 4.12Å; I274-T286 CarbonylContact O-C 3.53Å; I274-T286 WeakPolarHBondContact O-CA 3.41Å; I274-Y287 PolarHBondContact N-O 2.96Å; I274-Y287 PolarHBondContact O-N 2.57Å; I274-P289 HydrophobicContact CD1-CG 3.92Å; I274-P289 HydrophobicContact CG1-CG 4.05Å; I274-F291 HydrophobicContact CD1-CZ 4.15Å |
| 275 | H | 91.6 | Very high | 77.9 | Confident | 89 Ų | 89 | 89.2 Ų | 89.2 | 41% | 0.412 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 136.9 | 164.4 | -69.6 | -84.5 | 0 | 0 | 0 | 109.3 | T282 S283 T286 | H275-T282 HydrophobicContact CB-CG2 3.7Å; H275-S283 WeakPolarHBondContact CA-OG 3.38Å; H275-S283 PolarHBondContact ND1-O 2.9Å; H275-T286 WeakPolarHBondContact NE2-CG2 3.34Å |
| 276 | L | 91.9 | Very high | 79.6 | Confident | 9 Ų | 9 | 88.5 Ų | 88.5 | 5% | 0.047 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 134.7 | 172 | -58.5 | 174.9 | 0 | 0 | 0 | 108.3 | M222 M245 S283 Y287 F313 V325 | M222-L276 HydrophobicContact CE-CB 4.43Å; M222-L276 HydrophobicContact CE-CD2 4.35Å; M245-L276 HydrophobicContact CE-CD2 3.94Å; L276-S283 PolarHBondContact N-OG 3.46Å; L276-S283 PolarHBondContact O-N 3.4Å; L276-Y287 HydrophobicContact CD1-CD2 3.76Å; L276-Y287 HydrophobicContact CD1-CE2 4.17Å; L276-Y287 HydrophobicContact CD1-CG 4.22Å; L276-Y287 HydrophobicContact CG-CD2 3.9Å; L276-Y287 HydrophobicContact CG-CG 4.5Å; L276-F313 HydrophobicContact CB-CE1 3.81Å; L276-F313 HydrophobicContact CB-CZ 3.91Å; L276-F313 HydrophobicContact CD1-CZ 4.37Å; L276-F313 WeakPolarHBondContact O-CE1 3.2Å; L276-V325 HydrophobicContact CD1-CG1 3.93Å; L276-V325 HydrophobicContact CD1-CG2 4.36Å |
| 277 | Q | 90.3 | Very high | 81.4 | Confident | 140 Ų | 140 | 80.4 Ų | 80.4 | 65% | 0.654 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 131.1 | 178.9 | -68.8 | 178.5 | -9.6 | 0 | 0 | 109.8 | M222 C281 | M222-Q277 VanDerWaalsContact SD-O 3.38Å; Q277-C281 WeakPolarHBondContact CA-O 3.26Å |
| 278 | F | 88.6 | Confident | 83.1 | Confident | 32 Ų | 32 | 85.5 Ų | 85.5 | 14% | 0.14 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 111.8 | 176.5 | 175.7 | -110.5 | 0 | 0 | 0 | 109.6 | M222 F224 L243 N280 C281 F313 | M222-F278 HydrophobicContact CG-CD2 4.05Å; M222-F278 HydrophobicContact SD-CB 3.84Å; M222-F278 HydrophobicContact SD-CD2 4.28Å; M222-F278 HydrophobicContact SD-CG 4.44Å; F224-F278 AromaticContact CE1-CE2 3.69Å; F224-F278 HydrophobicContact CE1-CE2 3.69Å; F224-F278 AromaticContact CE1-CZ 3.68Å; F224-F278 HydrophobicContact CE1-CZ 3.68Å; F224-F278 HydrophobicContact CE2-CE2 4.38Å; F224-F278 AromaticContact CZ-CE2 3.4Å; F224-F278 HydrophobicContact CZ-CE2 3.4Å; F224-F278 AromaticContact CZ-CZ 3.53Å; F224-F278 HydrophobicContact CZ-CZ 3.53Å; L243-F278 HydrophobicContact CD1-CB 4.19Å; L243-F278 HydrophobicContact CD1-CD1 4.27Å; L243-F278 HydrophobicContact CD1-CD2 4.32Å; L243-F278 HydrophobicContact CD1-CG 3.98Å; L243-F278 HydrophobicContact CD2-CD1 4.43Å; L243-F278 HydrophobicContact CD2-CD2 3.59Å; L243-F278 HydrophobicContact CD2-CE1 4.38Å; L243-F278 HydrophobicContact CD2-CE2 3.53Å; L243-F278 HydrophobicContact CD2-CG 4.05Å; L243-F278 HydrophobicContact CD2-CZ 3.94Å; F278-N280 PolarHBondContact O-N 2.04Å; F278-C281 PolarHBondContact N-O 3.38Å; F278-C281 VanDerWaalsContact O-CB 3.27Å; F278-C281 WeakPolarHBondContact O-CB 3.03Å; F278-C281 PolarHBondContact O-N 2.82Å; F278-F313 HydrophobicContact CB-CE1 4.2Å |
| 279 | K | 87.8 | Confident | 84.6 | Confident | 174 Ų | 174 | 80.5 Ų | 80.5 | 76% | 0.757 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | -129 | -173.2 | -57.3 | -176.8 | 175.1 | -172.2 | 0 | 109.9 | C281 | K279-C281 PolarHBondContact O-N 2.99Š|
| 280 | N | 89.4 | Confident | 86.2 | Confident | 131 Ų | 131 | 78.7 Ų | 78.7 | 70% | 0.701 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | 27.8 | 178.7 | -60 | -14.9 | 0 | 0 | 0 | 112.8 | F278 C315 S316 | F278-N280 PolarHBondContact O-N 2.04Å; N280-C315 WeakPolarHBondContact O-CA 3.42Å; N280-S316 PolarHBondContact O-N 2.91Å |
| 281 | C | 92.2 | Very high | 87.6 | Confident | 16 Ų | 16 | 78.6 Ų | 78.6 | 11% | 0.108 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 136.8 | -175.9 | -45.1 | 0 | 0 | 0 | 0 | 112 | Q277 F278 K279 F313 Q314 C315 | Q277-C281 WeakPolarHBondContact CA-O 3.26Å; F278-C281 PolarHBondContact N-O 3.38Å; F278-C281 VanDerWaalsContact O-CB 3.27Å; F278-C281 WeakPolarHBondContact O-CB 3.03Å; F278-C281 PolarHBondContact O-N 2.82Å; K279-C281 PolarHBondContact O-N 2.99Å; C281-F313 HydrophobicContact CB-CB 3.93Å; C281-F313 HydrophobicContact CB-CD1 4.23Å; C281-F313 HydrophobicContact CB-CG 4.47Å; C281-Q314 VanDerWaalsContact CA-O 3.29Å; C281-Q314 WeakPolarHBondContact CA-O 3.36Å; C281-C315 HydrophobicContact CB-CB 3.96Å; C281-C315 WeakPolarHBondContact CB-SG 3.46Å; C281-C315 WeakPolarHBondContact SG-CB 3.24Å; C281-C315 CovalentContact SG-SG 2.03Å; C281-C315 PolarHBondContact SG-SG 2.85Å |
| 282 | T | 93.5 | Very high | 88.8 | Confident | 60 Ų | 60 | 71.2 Ų | 71.2 | 37% | 0.368 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 136.6 | 178.1 | -57.7 | 0 | 0 | 0 | 0 | 109.5 | H275 F313 Q314 | H275-T282 HydrophobicContact CB-CG2 3.7Å; T282-F313 CarbonylContact O-C 3.6Å; T282-F313 WeakPolarHBondContact O-CA 3.43Å; T282-Q314 PolarHBondContact N-O 3.05Å; T282-Q314 PolarHBondContact O-N 2.88Å |
| 283 | S | 94.6 | Very high | 89.3 | Confident | 3 Ų | 3 | 64.8 Ų | 64.8 | 2% | 0.021 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 140 | 178.3 | 66.8 | 0 | 0 | 0 | 0 | 111.4 | H275 L276 H285 E312 | H275-S283 WeakPolarHBondContact CA-OG 3.38Å; H275-S283 PolarHBondContact ND1-O 2.9Å; L276-S283 PolarHBondContact N-OG 3.46Å; L276-S283 PolarHBondContact O-N 3.4Å; S283-H285 VanDerWaalsContact C-N 3.34Å; S283-H285 PolarHBondContact OG-O 3.46Å; S283-E312 CarbonylContact C-O 3.5Å; S283-E312 VanDerWaalsContact CA-O 3.31Å; S283-E312 WeakPolarHBondContact CA-O 3.38Å |
| 284 | L | 92.9 | Very high | 88.9 | Confident | 60 Ų | 60 | 66.9 Ų | 66.9 | 31% | 0.314 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | -41.9 | 177.4 | -69.4 | 176.4 | 0 | 0 | 0 | 111.4 | E312 Q314 I320 | L284-E312 HydrophobicContact CD1-CB 3.92Å; L284-E312 HydrophobicContact CG-CB 4.45Å; L284-E312 PolarHBondContact N-O 2.83Å; L284-Q314 HydrophobicContact CD2-CB 3.77Å; L284-Q314 HydrophobicContact CG-CB 4.49Å; L284-I320 HydrophobicContact CD1-CD1 4.1Å; L284-I320 HydrophobicContact CD1-CG1 4.41Å; L284-I320 HydrophobicContact CD1-CG2 4.05Å |
| 285 | H | 93.3 | Very high | 88.5 | Confident | 112 Ų | 112 | 64.8 Ų | 64.8 | 52% | 0.519 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 154.9 | 178.5 | -59.4 | -59.1 | 0 | 0 | 0 | 111.8 | S283 Y287 | S283-H285 VanDerWaalsContact C-N 3.34Å; S283-H285 PolarHBondContact OG-O 3.46Å; H285-Y287 HydrophobicContact CB-CE2 4.18Å; H285-Y287 WeakPolarHBondContact O-CD2 3.42Å; H285-Y287 VanDerWaalsContact O-CE2 3.26Å; H285-Y287 WeakPolarHBondContact O-CE2 3.39Å |
| 286 | T | 91.7 | Very high | 87.6 | Confident | 73 Ų | 73 | 65.2 Ų | 65.2 | 45% | 0.448 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 142.8 | 168.6 | 56 | 0 | 0 | 0 | 0 | 110.3 | I274 H275 | I274-T286 CarbonylContact O-C 3.53Å; I274-T286 WeakPolarHBondContact O-CA 3.41Å; H275-T286 WeakPolarHBondContact NE2-CG2 3.34Å |
| 287 | Y | 90.6 | Very high | 86.7 | Confident | 50 Ų | 50 | 68 Ų | 68 | 20% | 0.196 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 150.5 | 179.6 | -63.4 | -88.5 | 0 | 0 | 0 | 109.8 | A273 I274 L276 H285 P289 I309 A311 | A273-Y287 CarbonylContact C-O 3.56Å; A273-Y287 VanDerWaalsContact CA-O 3.28Å; A273-Y287 WeakPolarHBondContact CA-O 3.09Å; I274-Y287 PolarHBondContact N-O 2.96Å; I274-Y287 PolarHBondContact O-N 2.57Å; L276-Y287 HydrophobicContact CD1-CD2 3.76Å; L276-Y287 HydrophobicContact CD1-CE2 4.17Å; L276-Y287 HydrophobicContact CD1-CG 4.22Å; L276-Y287 HydrophobicContact CG-CD2 3.9Å; L276-Y287 HydrophobicContact CG-CG 4.5Å; H285-Y287 HydrophobicContact CB-CE2 4.18Å; H285-Y287 WeakPolarHBondContact O-CD2 3.42Å; H285-Y287 VanDerWaalsContact O-CE2 3.26Å; H285-Y287 WeakPolarHBondContact O-CE2 3.39Å; Y287-P289 WeakPolarHBondContact O-CD 3.13Å; Y287-I309 HydrophobicContact CD1-CD1 3.85Å; Y287-I309 HydrophobicContact CE1-CD1 3.62Å; Y287-A311 HydrophobicContact CE2-CB 4.25Å; Y287-A311 WeakPolarHBondContact OH-CB 3.04Å |
| 288 | K | 88.1 | Confident | 85.8 | Confident | 150 Ų | 150 | 65.1 Ų | 65.1 | 65% | 0.652 | 36% | 0.361 | S | S | * | . | trans | -105.2 | 72.7 | 171.5 | -68.8 | -175 | 179.8 | -177.4 | 0 | 110.1 | A273 | A273-K288 HydrophobicContact CB-CG 3.75Š| ||
| 289 | P | 87.5 | Confident | 85.4 | Confident | 22 Ų | 22 | 66.7 Ų | 66.7 | 14% | 0.143 | 37% | 0.366 | C | S | . | . | trans | -65.4 | 152.3 | -178.7 | 28.6 | -35.6 | 0 | 0 | 0 | 111.4 | S270 I274 Y287 F291 | S270-P289 WeakPolarHBondContact CB-O 3.49Å; S270-P289 PolarHBondContact N-O 3.06Å; I274-P289 HydrophobicContact CD1-CG 3.92Å; I274-P289 HydrophobicContact CG1-CG 4.05Å; Y287-P289 WeakPolarHBondContact O-CD 3.13Å; P289-F291 HydrophobicContact CB-CE1 3.91Å; P289-F291 HydrophobicContact CB-CZ 3.84Å; P289-F291 HydrophobicContact CG-CE1 3.91Å; P289-F291 HydrophobicContact CG-CE2 3.91Å; P289-F291 HydrophobicContact CG-CZ 3.32Å | ||
| 290 | R | 86.9 | Confident | 85 | Confident | 90 Ų | 90 | 59.7 Ų | 59.7 | 34% | 0.34 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 139.9 | 165.5 | -78.5 | -175.2 | -177.4 | 130.3 | -7.3 | 108.3 | T267 K269 I328 G329 | T267-R290 HydrophobicContact CG2-CB 3.76Å; T267-R290 HydrophobicContact CG2-CG 4.08Å; K269-R290 HydrophobicContact CG-CG 3.59Å; R290-I328 HydrophobicContact CB-CB 4.21Å; R290-I328 HydrophobicContact CB-CG2 4.49Å; R290-I328 WeakPolarHBondContact CB-O 3.39Å; R290-I328 WeakPolarHBondContact CD-O 3.38Å; R290-I328 WeakPolarHBondContact O-CD1 3.44Å; R290-G329 WeakPolarHBondContact CD-O 3.35Å; R290-G329 PolarHBondContact NH1-O 3.27Å |
| 291 | F | 87.1 | Confident | 84.7 | Confident | 19 Ų | 19 | 54 Ų | 54 | 8% | 0.083 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 147.9 | 175.7 | -58.8 | -57.8 | 0 | 0 | 0 | 111.2 | M245 V246 R247 P248 T267 K268 I274 P289 | M245-F291 HydrophobicContact CE-CE1 3.42Å; M245-F291 VanDerWaalsContact CE-CE1 3.42Å; M245-F291 HydrophobicContact CE-CZ 3.55Å; M245-F291 HydrophobicContact CG-CE1 3.97Å; M245-F291 HydrophobicContact SD-CE1 4.37Å; V246-F291 CarbonylContact O-C 3.6Å; V246-F291 VanDerWaalsContact O-CA 3.3Å; V246-F291 WeakPolarHBondContact O-CA 3.39Å; V246-F291 WeakPolarHBondContact O-CB 3.38Å; R247-F291 HydrophobicContact CB-CB 4.43Å; P248-F291 HydrophobicContact CG-CD2 4.45Å; P248-F291 HydrophobicContact CG-CE2 4.38Å; T267-F291 WeakPolarHBondContact CG2-O 3.33Å; K268-F291 PolarHBondContact O-N 2.85Å; I274-F291 HydrophobicContact CD1-CZ 4.15Å; P289-F291 HydrophobicContact CB-CE1 3.91Å; P289-F291 HydrophobicContact CB-CZ 3.84Å; P289-F291 HydrophobicContact CG-CE1 3.91Å; P289-F291 HydrophobicContact CG-CE2 3.91Å; P289-F291 HydrophobicContact CG-CZ 3.32Å |
| 292 | C | 84.8 | Confident | 84.4 | Confident | 4 Ų | 4 | 54.6 Ų | 54.6 | 3% | 0.027 | 31% | 0.312 | C | S | . | . | trans | -84.7 | 137.5 | 171.5 | -59.6 | 0 | 0 | 0 | 0 | 109.9 | V246 C331 | V246-C292 HydrophobicContact CG1-CB 3.89Å; V246-C292 PolarHBondContact O-N 2.02Å; C292-C331 WeakPolarHBondContact CA-SG 3.03Å; C292-C331 HydrophobicContact CB-CB 3.81Å; C292-C331 WeakPolarHBondContact CB-SG 3.4Å; C292-C331 WeakPolarHBondContact SG-CB 3.37Å; C292-C331 CovalentContact SG-SG 2.04Å; C292-C331 PolarHBondContact SG-SG 3.23Å | ||
| 293 | G | 79.9 | Confident | 84.2 | Confident | 29 Ų | 29 | 53.5 Ų | 53.5 | 30% | 0.299 | 31% | 0.306 | S | S | . | . | trans | -91.2 | -147.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | C301 | G293-C301 WeakPolarHBondContact O-CB 3.37Š| ||
| 294 | V | 76.5 | Confident | 83.8 | Confident | 85 Ų | 85 | 59.7 Ų | 59.7 | 52% | 0.515 | 33% | 0.334 | S | S | . | . | trans | -116.3 | 149.8 | 174.5 | -66 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 295 | C | 79 | Confident | 83.6 | Confident | 13 Ų | 13 | 60.9 Ų | 60.9 | 9% | 0.088 | 34% | 0.341 | C | S | . | . | trans | -88 | 140.4 | 173 | -42.1 | 0 | 0 | 0 | 0 | 109.1 | D297 R299 C301 C333 | C295-D297 WeakPolarHBondContact CB-OD1 2.97Å; C295-D297 PolarHBondContact O-N 3.15Å; C295-R299 HydrophobicContact CB-CB 4.02Å; C295-R299 WeakPolarHBondContact CB-O 3.14Å; C295-R299 PolarHBondContact SG-O 2.65Å; C295-C301 WeakPolarHBondContact SG-CB 3.02Å; C295-C301 PolarHBondContact SG-N 2.72Å; C295-C301 VanDerWaalsContact SG-N 3.42Å; C295-C333 HydrophobicContact CB-CB 3.99Å; C295-C333 WeakPolarHBondContact CB-SG 3.06Å; C295-C333 WeakPolarHBondContact SG-CB 3.48Å; C295-C333 CovalentContact SG-SG 2.01Å; C295-C333 PolarHBondContact SG-SG 2.83Å | ||
| 296 | S | 73.1 | Confident | 83.5 | Confident | 98 Ų | 98 | 57.2 Ų | 57.2 | 69% | 0.685 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -10.8 | -179.2 | 57.3 | 0 | 0 | 0 | 0 | 113.8 | ||
| 297 | D | 73.5 | Confident | 83.6 | Confident | 68 Ų | 68 | 60.9 Ų | 60.9 | 36% | 0.364 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | 21.2 | -172 | 59.4 | -3.1 | 0 | 0 | 0 | 113.2 | C295 R299 | C295-D297 WeakPolarHBondContact CB-OD1 2.97Å; C295-D297 PolarHBondContact O-N 3.15Å; D297-R299 VanDerWaalsContact CG-NE 3.3Å; D297-R299 PolarHBondContact O-N 3.28Å; D297-R299 WeakPolarHBondContact OD1-CB 3.34Å; D297-R299 IonicContact OD1-CZ 3.94Å; D297-R299 IonicContact OD1-NE 3.24Å; D297-R299 PolarHBondContact OD1-NE 3.27Å; D297-R299 IonicContact OD1-NH2 3.73Å; D297-R299 IonicContact OD2-CZ 3.14Å; D297-R299 IonicContact OD2-NE 2.79Å; D297-R299 PolarHBondContact OD2-NE 2.66Å; D297-R299 IonicContact OD2-NH2 2.69Å; D297-R299 PolarHBondContact OD2-NH2 3.06Å |
| 298 | G | 70 | Confident | 83.8 | Confident | 79 Ų | 79 | 61.3 Ų | 61.3 | 81% | 0.814 | 34% | 0.344 | S | S | * | . | S | Bend | trans | 76.2 | 1.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 299 | R | 81.3 | Confident | 84.1 | Confident | 65 Ų | 65 | 56.9 Ų | 56.9 | 25% | 0.245 | 33% | 0.327 | C | S | . | . | trans | -78.7 | 156.5 | 171.9 | -67.8 | -172.9 | -65 | 150.1 | 4.1 | 111.4 | C295 D297 C333 H334 T335 | C295-R299 HydrophobicContact CB-CB 4.02Å; C295-R299 WeakPolarHBondContact CB-O 3.14Å; C295-R299 PolarHBondContact SG-O 2.65Å; D297-R299 VanDerWaalsContact CG-NE 3.3Å; D297-R299 PolarHBondContact O-N 3.28Å; D297-R299 WeakPolarHBondContact OD1-CB 3.34Å; D297-R299 IonicContact OD1-CZ 3.94Å; D297-R299 IonicContact OD1-NE 3.24Å; D297-R299 PolarHBondContact OD1-NE 3.27Å; D297-R299 IonicContact OD1-NH2 3.73Å; D297-R299 IonicContact OD2-CZ 3.14Å; D297-R299 IonicContact OD2-NE 2.79Å; D297-R299 PolarHBondContact OD2-NE 2.66Å; D297-R299 IonicContact OD2-NH2 2.69Å; D297-R299 PolarHBondContact OD2-NH2 3.06Å; R299-C333 HydrophobicContact CB-CB 4.09Å; R299-C333 VanDerWaalsContact CZ-CB 3.48Å; R299-C333 PolarHBondContact NH1-O 2.85Å; R299-H334 WeakPolarHBondContact CB-O 3.47Å; R299-T335 HydrophobicContact CG-CG2 3.91Å | ||
| 300 | C | 79.9 | Confident | 84.5 | Confident | 26 Ų | 26 | 62 Ų | 62 | 18% | 0.176 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 139 | 171 | 41.3 | 0 | 0 | 0 | 0 | 110.5 | C333 H334 C337 | C300-C333 VanDerWaalsContact O-CA 3.3Å; C300-C333 WeakPolarHBondContact O-CA 2.99Å; C300-H334 PolarHBondContact N-O 3.33Å; C300-H334 PolarHBondContact O-N 3.37Å; C300-H334 VanDerWaalsContact O-N 3.1Å; C300-H334 VanDerWaalsContact SG-CE1 3.51Å; C300-H334 PolarHBondContact SG-O 2.98Å; C300-C337 HydrophobicContact CB-CB 3.82Å; C300-C337 WeakPolarHBondContact CB-SG 3.33Å; C300-C337 PolarHBondContact N-SG 2.85Å; C300-C337 VanDerWaalsContact N-SG 3.39Å; C300-C337 WeakPolarHBondContact SG-CA 3.41Å; C300-C337 WeakPolarHBondContact SG-CB 3.41Å; C300-C337 CovalentContact SG-SG 2.04Å; C300-C337 PolarHBondContact SG-SG 3.26Å |
| 301 | C | 83.3 | Confident | 84.8 | Confident | 12 Ų | 12 | 57.7 Ų | 57.7 | 8% | 0.081 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 114.2 | 172.5 | -155.8 | 0 | 0 | 0 | 0 | 109.3 | C264 G293 C295 C331 T332 | C264-C301 WeakPolarHBondContact CB-SG 3.03Å; C264-C301 WeakPolarHBondContact SG-CB 3.44Å; C264-C301 CovalentContact SG-SG 2.08Å; C264-C301 PolarHBondContact SG-SG 3.36Å; G293-C301 WeakPolarHBondContact O-CB 3.37Å; C295-C301 WeakPolarHBondContact SG-CB 3.02Å; C295-C301 PolarHBondContact SG-N 2.72Å; C295-C301 VanDerWaalsContact SG-N 3.42Å; C301-C331 VanDerWaalsContact SG-CB 3.54Å; C301-T332 CarbonylContact C-O 3.05Å; C301-T332 VanDerWaalsContact CA-O 3.31Å; C301-T332 WeakPolarHBondContact CA-O 3.05Å |
| 302 | T | 85.7 | Confident | 85.2 | Confident | 29 Ų | 29 | 59.5 Ų | 59.5 | 18% | 0.178 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 159.6 | -178.5 | 62.4 | 0 | 0 | 0 | 0 | 111.6 | H304 C331 T332 H334 P338 | T302-H304 PolarHBondContact O-N 3.36Å; T302-C331 CarbonylContact O-C 3.44Å; T302-C331 WeakPolarHBondContact O-CA 3.42Å; T302-C331 WeakPolarHBondContact O-CB 3.17Å; T302-T332 PolarHBondContact N-O 3.32Å; T302-T332 PolarHBondContact O-N 2.04Å; T302-H334 WeakPolarHBondContact CB-NE2 3.47Å; T302-H334 WeakPolarHBondContact CG2-NE2 3.2Å; T302-H334 PolarHBondContact OG1-CD2 2.87Å; T302-H334 PolarHBondContact OG1-NE2 2.8Å; T302-P338 HydrophobicContact CG2-CG 4.4Å |
| 303 | P | 89.3 | Confident | 85.7 | Confident | 36 Ų | 36 | 59.4 Ų | 59.4 | 23% | 0.234 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 133.3 | 174.6 | -19.5 | 32.3 | 0 | 0 | 0 | 111.4 | V246 T306 M326 I328 | V246-P303 HydrophobicContact CG2-CG 4.28Å; P303-T306 HydrophobicContact CB-CG2 3.49Å; P303-T306 VanDerWaalsContact CB-CG2 3.49Å; P303-M326 HydrophobicContact CB-CE 4.42Å; P303-M326 HydrophobicContact CG-CE 3.96Å; P303-I328 HydrophobicContact CB-CD1 4.37Å; P303-I328 HydrophobicContact CB-CG1 4.22Å; P303-I328 HydrophobicContact CB-CG2 4.41Å; P303-I328 HydrophobicContact CG-CD1 3.92Å; P303-I328 HydrophobicContact CG-CG1 4.27Å |
| 304 | H | 85.8 | Confident | 86.4 | Confident | 133 Ų | 133 | 63 Ų | 63 | 62% | 0.616 | 35% | 0.349 | S | S | * | . | trans | -111.5 | -65.9 | 178.3 | 175.6 | -96.2 | 0 | 0 | 0 | 111.4 | T302 T330 T332 | T302-H304 PolarHBondContact O-N 3.36Å; H304-T330 PolarHBondContact N-O 3.01Å; H304-T332 HydrophobicContact CB-CG2 3.37Å; H304-T332 VanDerWaalsContact CG-CG2 3.49Å | ||
| 305 | N | 88.4 | Confident | 87.1 | Confident | 86 Ų | 86 | 59.6 Ų | 59.6 | 46% | 0.46 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -90.4 | 117.5 | 171.3 | -172.5 | -10.7 | 0 | 0 | 0 | 108.8 | G329 T330 | N305-G329 VanDerWaalsContact O-CA 3.24Å; N305-G329 WeakPolarHBondContact O-CA 3.36Å; N305-G329 PolarHBondContact O-N 2.97Å; N305-T330 VanDerWaalsContact CB-OG1 3.31Å; N305-T330 WeakPolarHBondContact CB-OG1 3.35Å; N305-T330 PolarHBondContact N-OG1 3.49Å; N305-T330 PolarHBondContact O-N 2.94Å |
| 306 | T | 91.4 | Very high | 87.5 | Confident | 35 Ų | 35 | 63.7 Ų | 63.7 | 22% | 0.215 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 146.3 | 179.5 | 68.9 | 0 | 0 | 0 | 0 | 111.3 | R242 P303 M326 V327 | R242-T306 PolarHBondContact NH1-OG1 2.83Å; R242-T306 PolarHBondContact NH2-OG1 2.83Å; P303-T306 HydrophobicContact CB-CG2 3.49Å; P303-T306 VanDerWaalsContact CB-CG2 3.49Å; T306-M326 HydrophobicContact CG2-CG 4.04Å; T306-M326 HydrophobicContact CG2-SD 3.84Å; T306-V327 WeakPolarHBondContact CA-O 3.04Å |
| 307 | K | 93.2 | Very high | 87.8 | Confident | 150 Ų | 150 | 65.2 Ų | 65.2 | 65% | 0.652 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 155.6 | 171.5 | -65.1 | -172.2 | 177.6 | -171.3 | 0 | 109.6 | M326 V327 | K307-M326 CarbonylContact O-C 3.48Å; K307-M326 WeakPolarHBondContact O-CA 3.16Å; K307-V327 PolarHBondContact N-O 2.85Å; K307-V327 PolarHBondContact O-N 3.37Å |
| 308 | T | 94.2 | Very high | 88 | Confident | 58 Ų | 58 | 64.7 Ų | 64.7 | 36% | 0.356 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 125.1 | 173.6 | -57.1 | 0 | 0 | 0 | 0 | 108.9 | R242 P324 V325 | R242-T308 HydrophobicContact CB-CG2 4.39Å; R242-T308 WeakPolarHBondContact CD-OG1 3.39Å; R242-T308 PolarHBondContact NH1-OG1 3.01Å; T308-P324 HydrophobicContact CG2-CB 3.57Å; T308-V325 CarbonylContact C-O 3.55Å; T308-V325 WeakPolarHBondContact CA-O 3.23Å |
| 309 | I | 94.6 | Very high | 89 | Confident | 57 Ų | 57 | 67.1 Ų | 67.1 | 29% | 0.292 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 151.3 | 173.6 | 65.9 | 171.8 | 0 | 0 | 0 | 109.9 | Y287 P324 V325 V327 | Y287-I309 HydrophobicContact CD1-CD1 3.85Å; Y287-I309 HydrophobicContact CE1-CD1 3.62Å; I309-P324 CarbonylContact O-C 3.6Å; I309-P324 WeakPolarHBondContact O-CA 3.33Å; I309-V325 HydrophobicContact CG1-CB 4.17Å; I309-V325 PolarHBondContact N-O 3.39Å; I309-V325 PolarHBondContact O-N 3.18Å; I309-V327 HydrophobicContact CB-CG2 4.32Å; I309-V327 HydrophobicContact CD1-CG2 3.64Å; I309-V327 HydrophobicContact CG1-CG2 3.73Å; I309-V327 HydrophobicContact CG2-CG2 3.7Å |
| 310 | Q | 95.8 | Very high | 89.5 | Confident | 129 Ų | 129 | 68.6 Ų | 68.6 | 60% | 0.603 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 115.3 | 168.2 | -64 | -66.6 | -7 | 0 | 0 | 108.5 | ||
| 311 | A | 93.9 | Very high | 90 | Very high | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 139.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y287 F313 K322 K323 V325 | Y287-A311 HydrophobicContact CE2-CB 4.25Å; Y287-A311 WeakPolarHBondContact OH-CB 3.04Å; A311-F313 HydrophobicContact CB-CD2 4.37Å; A311-F313 HydrophobicContact CB-CE2 3.73Å; A311-F313 HydrophobicContact CB-CZ 4.41Å; A311-F313 WeakPolarHBondContact O-CD2 3.39Å; A311-K322 WeakPolarHBondContact O-CA 3.41Å; A311-K323 PolarHBondContact N-O 3.28Å; A311-K323 PolarHBondContact O-N 3.17Å; A311-V325 HydrophobicContact CB-CG2 3.74Å |
| 312 | E | 95.7 | Very high | 90.5 | Very high | 58 Ų | 58 | 74.6 Ų | 74.6 | 27% | 0.271 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 125.9 | 177.8 | -70.8 | 176.2 | -179 | 0 | 0 | 109.8 | S283 L284 I320 K322 | S283-E312 CarbonylContact C-O 3.5Å; S283-E312 VanDerWaalsContact CA-O 3.31Å; S283-E312 WeakPolarHBondContact CA-O 3.38Å; L284-E312 HydrophobicContact CD1-CB 3.92Å; L284-E312 HydrophobicContact CG-CB 4.45Å; L284-E312 PolarHBondContact N-O 2.83Å; E312-I320 HydrophobicContact CB-CG2 4.26Å; E312-K322 HydrophobicContact CG-CD 4.36Å; E312-K322 HydrophobicContact CG-CG 3.78Å; E312-K322 WeakPolarHBondContact OE1-CE 3.43Å; E312-K322 IonicContact OE1-NZ 3.04Å; E312-K322 PolarHBondContact OE1-NZ 3.03Å |
| 313 | F | 94.8 | Very high | 90.9 | Very high | 1 Ų | 1 | 77.3 Ų | 77.3 | 0% | 0.004 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 135 | 179.7 | -69.6 | -101.1 | 0 | 0 | 0 | 110.3 | L243 L276 F278 C281 T282 A311 I320 V321 K323 V325 | L243-F313 HydrophobicContact CD1-CE2 4.24Å; L243-F313 HydrophobicContact CD1-CZ 4.11Å; L276-F313 HydrophobicContact CB-CE1 3.81Å; L276-F313 HydrophobicContact CB-CZ 3.91Å; L276-F313 HydrophobicContact CD1-CZ 4.37Å; L276-F313 WeakPolarHBondContact O-CE1 3.2Å; F278-F313 HydrophobicContact CB-CE1 4.2Å; C281-F313 HydrophobicContact CB-CB 3.93Å; C281-F313 HydrophobicContact CB-CD1 4.23Å; C281-F313 HydrophobicContact CB-CG 4.47Å; T282-F313 CarbonylContact O-C 3.6Å; T282-F313 WeakPolarHBondContact O-CA 3.43Å; A311-F313 HydrophobicContact CB-CD2 4.37Å; A311-F313 HydrophobicContact CB-CE2 3.73Å; A311-F313 HydrophobicContact CB-CZ 4.41Å; A311-F313 WeakPolarHBondContact O-CD2 3.39Å; F313-I320 CarbonylContact O-C 3.54Å; F313-I320 VanDerWaalsContact O-CA 3.28Å; F313-I320 WeakPolarHBondContact O-CA 3.42Å; F313-V321 HydrophobicContact CB-CG2 4Å; F313-V321 PolarHBondContact N-O 2.89Å; F313-V321 PolarHBondContact O-N 2.71Å; F313-K323 HydrophobicContact CD2-CB 4.1Å; F313-K323 HydrophobicContact CD2-CG 4.32Å; F313-K323 HydrophobicContact CE2-CB 3.99Å; F313-V325 HydrophobicContact CE2-CG2 3.98Å; F313-V325 HydrophobicContact CZ-CG2 4.13Å |
| 314 | Q | 94.4 | Very high | 91.1 | Very high | 104 Ų | 104 | 77.1 Ų | 77.1 | 49% | 0.486 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 115.6 | 168.2 | -170.4 | 172.9 | 30 | 0 | 0 | 108.7 | C281 T282 L284 | C281-Q314 VanDerWaalsContact CA-O 3.29Å; C281-Q314 WeakPolarHBondContact CA-O 3.36Å; T282-Q314 PolarHBondContact N-O 3.05Å; T282-Q314 PolarHBondContact O-N 2.88Å; L284-Q314 HydrophobicContact CD2-CB 3.77Å; L284-Q314 HydrophobicContact CG-CB 4.49Å |
| 315 | C | 91.6 | Very high | 91.6 | Very high | 14 Ų | 14 | 71.1 Ų | 71.1 | 10% | 0.095 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 145.1 | 177.9 | -58.6 | 0 | 0 | 0 | 0 | 110.3 | N280 C281 P317 G318 Q319 V321 | N280-C315 WeakPolarHBondContact O-CA 3.42Å; C281-C315 HydrophobicContact CB-CB 3.96Å; C281-C315 WeakPolarHBondContact CB-SG 3.46Å; C281-C315 WeakPolarHBondContact SG-CB 3.24Å; C281-C315 CovalentContact SG-SG 2.03Å; C281-C315 PolarHBondContact SG-SG 2.85Å; C315-P317 CarbonylContact O-C 3.56Å; C315-G318 CarbonylContact O-C 3.57Å; C315-G318 WeakPolarHBondContact O-CA 3.3Å; C315-G318 PolarHBondContact O-N 3.11Å; C315-Q319 PolarHBondContact N-O 3.21Å; C315-Q319 PolarHBondContact O-N 2.04Å; C315-V321 VanDerWaalsContact SG-CG2 3.53Å |
| 316 | S | 88.4 | Confident | 91.9 | Very high | 100 Ų | 100 | 67.8 Ų | 67.8 | 70% | 0.699 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | 129.2 | 171.3 | -62.5 | 0 | 0 | 0 | 0 | 111.2 | N280 | N280-S316 PolarHBondContact O-N 2.91Š|
| 317 | P | 77.8 | Confident | 92 | Very high | 130 Ų | 130 | 68.7 Ų | 68.7 | 84% | 0.844 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -93.9 | 104.3 | 4.4 | 34.5 | -28.3 | 0 | 0 | 0 | 112.9 | C315 Q319 | C315-P317 CarbonylContact O-C 3.56Å; P317-Q319 VanDerWaalsContact C-N 3.26Å; P317-Q319 PolarHBondContact O-N 3.35Å |
| 318 | G | 79.3 | Confident | 91.9 | Very high | 57 Ų | 57 | 61.7 Ų | 61.7 | 59% | 0.588 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.6 | 0.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | C315 | C315-G318 CarbonylContact O-C 3.57Å; C315-G318 WeakPolarHBondContact O-CA 3.3Å; C315-G318 PolarHBondContact O-N 3.11Å |
| 319 | Q | 89.4 | Confident | 91.6 | Very high | 129 Ų | 129 | 59.8 Ų | 59.8 | 60% | 0.603 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 129.8 | -177.4 | -169.9 | -179.8 | 28.8 | 0 | 0 | 111.5 | C315 P317 V321 | C315-Q319 PolarHBondContact N-O 3.21Å; C315-Q319 PolarHBondContact O-N 2.04Å; P317-Q319 VanDerWaalsContact C-N 3.26Å; P317-Q319 PolarHBondContact O-N 3.35Å; Q319-V321 HydrophobicContact CG-CG1 4.01Å |
| 320 | I | 91.4 | Very high | 91.1 | Very high | 96 Ų | 96 | 60.2 Ų | 60.2 | 49% | 0.492 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 121.6 | 171.4 | -60.2 | 170.6 | 0 | 0 | 0 | 109.3 | L284 E312 F313 | L284-I320 HydrophobicContact CD1-CD1 4.1Å; L284-I320 HydrophobicContact CD1-CG1 4.41Å; L284-I320 HydrophobicContact CD1-CG2 4.05Å; E312-I320 HydrophobicContact CB-CG2 4.26Å; F313-I320 CarbonylContact O-C 3.54Å; F313-I320 VanDerWaalsContact O-CA 3.28Å; F313-I320 WeakPolarHBondContact O-CA 3.42Å |
| 321 | V | 92.2 | Very high | 90.7 | Very high | 30 Ų | 30 | 54.9 Ų | 54.9 | 18% | 0.182 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 139.2 | 178.1 | -60.3 | 0 | 0 | 0 | 0 | 111.2 | F313 C315 Q319 K323 | F313-V321 HydrophobicContact CB-CG2 4Å; F313-V321 PolarHBondContact N-O 2.89Å; F313-V321 PolarHBondContact O-N 2.71Å; C315-V321 VanDerWaalsContact SG-CG2 3.53Å; Q319-V321 HydrophobicContact CG-CG1 4.01Å; V321-K323 HydrophobicContact CG2-CG 4.3Å |
| 322 | K | 93.6 | Very high | 90.3 | Very high | 134 Ų | 134 | 57.2 Ų | 57.2 | 58% | 0.583 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 126.3 | 172.1 | -70 | -179.1 | -172.1 | -147.3 | 0 | 109.5 | A311 E312 | A311-K322 WeakPolarHBondContact O-CA 3.41Å; E312-K322 HydrophobicContact CG-CD 4.36Å; E312-K322 HydrophobicContact CG-CG 3.78Å; E312-K322 WeakPolarHBondContact OE1-CE 3.43Å; E312-K322 IonicContact OE1-NZ 3.04Å; E312-K322 PolarHBondContact OE1-NZ 3.03Å |
| 323 | K | 92.6 | Very high | 89.7 | Confident | 86 Ų | 86 | 55.4 Ų | 55.4 | 37% | 0.374 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 137.1 | 176.8 | -65.6 | -66.3 | -176.8 | -173.1 | 0 | 110.8 | L243 A311 F313 V321 V325 | L243-K323 HydrophobicContact CD1-CB 3.93Å; L243-K323 HydrophobicContact CD1-CG 4.43Å; A311-K323 PolarHBondContact N-O 3.28Å; A311-K323 PolarHBondContact O-N 3.17Å; F313-K323 HydrophobicContact CD2-CB 4.1Å; F313-K323 HydrophobicContact CD2-CG 4.32Å; F313-K323 HydrophobicContact CE2-CB 3.99Å; V321-K323 HydrophobicContact CG2-CG 4.3Å; K323-V325 PolarHBondContact O-N 3.42Å |
| 324 | P | 95.5 | Very high | 89.1 | Confident | 33 Ų | 33 | 57.9 Ų | 57.9 | 21% | 0.214 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 128.5 | 172 | 26.6 | -31.2 | 0 | 0 | 0 | 110.2 | T241 R242 L243 T308 I309 | T241-P324 VanDerWaalsContact O-CG 3.3Å; T241-P324 WeakPolarHBondContact O-CG 3.28Å; R242-P324 WeakPolarHBondContact CA-O 3.46Å; R242-P324 HydrophobicContact CB-CB 4.04Å; R242-P324 HydrophobicContact CB-CG 4.22Å; L243-P324 PolarHBondContact N-O 2.89Å; T308-P324 HydrophobicContact CG2-CB 3.57Å; I309-P324 CarbonylContact O-C 3.6Å; I309-P324 WeakPolarHBondContact O-CA 3.33Å |
| 325 | V | 95.3 | Very high | 88.4 | Confident | 6 Ų | 6 | 58.6 Ų | 58.6 | 4% | 0.036 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 135.6 | -178.7 | -175.4 | 0 | 0 | 0 | 0 | 110.3 | L243 L276 T308 I309 A311 F313 K323 | L243-V325 HydrophobicContact CB-CG2 4.2Å; L243-V325 HydrophobicContact CD1-CG2 4.22Å; L243-V325 CarbonylContact O-C 3.55Å; L243-V325 WeakPolarHBondContact O-CA 3.42Å; L276-V325 HydrophobicContact CD1-CG1 3.93Å; L276-V325 HydrophobicContact CD1-CG2 4.36Å; T308-V325 CarbonylContact C-O 3.55Å; T308-V325 WeakPolarHBondContact CA-O 3.23Å; I309-V325 HydrophobicContact CG1-CB 4.17Å; I309-V325 PolarHBondContact N-O 3.39Å; I309-V325 PolarHBondContact O-N 3.18Å; A311-V325 HydrophobicContact CB-CG2 3.74Å; F313-V325 HydrophobicContact CE2-CG2 3.98Å; F313-V325 HydrophobicContact CZ-CG2 4.13Å; K323-V325 PolarHBondContact O-N 3.42Å |
| 326 | M | 95.3 | Very high | 87.8 | Confident | 17 Ų | 17 | 64.6 Ų | 64.6 | 8% | 0.084 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 125.9 | 174.8 | -175.3 | 179.6 | 77.2 | 0 | 0 | 111.5 | R242 L243 C244 P303 T306 K307 I328 | R242-M326 PolarHBondContact NH2-SD 2.8Å; R242-M326 VanDerWaalsContact NH2-SD 3.4Å; L243-M326 WeakPolarHBondContact O-CB 3.29Å; L243-M326 PolarHBondContact O-N 3.13Å; C244-M326 HydrophobicContact CB-CB 4.12Å; C244-M326 HydrophobicContact CB-CE 3.53Å; C244-M326 HydrophobicContact CB-SD 4Å; P303-M326 HydrophobicContact CB-CE 4.42Å; P303-M326 HydrophobicContact CG-CE 3.96Å; T306-M326 HydrophobicContact CG2-CG 4.04Å; T306-M326 HydrophobicContact CG2-SD 3.84Å; K307-M326 CarbonylContact O-C 3.48Å; K307-M326 WeakPolarHBondContact O-CA 3.16Å; M326-I328 HydrophobicContact CE-CD1 4.02Å; M326-I328 HydrophobicContact CE-CG1 3.85Å |
| 327 | V | 92.7 | Very high | 87.1 | Confident | 53 Ų | 53 | 62.2 Ų | 62.2 | 32% | 0.321 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 119.4 | 169.1 | -179.4 | 0 | 0 | 0 | 0 | 108.7 | T306 K307 I309 G329 | T306-V327 WeakPolarHBondContact CA-O 3.04Å; K307-V327 PolarHBondContact N-O 2.85Å; K307-V327 PolarHBondContact O-N 3.37Å; I309-V327 HydrophobicContact CB-CG2 4.32Å; I309-V327 HydrophobicContact CD1-CG2 3.64Å; I309-V327 HydrophobicContact CG1-CG2 3.73Å; I309-V327 HydrophobicContact CG2-CG2 3.7Å; V327-G329 PolarHBondContact O-N 3.09Å |
| 328 | I | 90.7 | Very high | 86.6 | Confident | 3 Ų | 3 | 59.3 Ų | 59.3 | 2% | 0.015 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 123.8 | 179.2 | -58.9 | 175.6 | 0 | 0 | 0 | 109.1 | R290 P303 M326 | R290-I328 HydrophobicContact CB-CB 4.21Å; R290-I328 HydrophobicContact CB-CG2 4.49Å; R290-I328 WeakPolarHBondContact CB-O 3.39Å; R290-I328 WeakPolarHBondContact CD-O 3.38Å; R290-I328 WeakPolarHBondContact O-CD1 3.44Å; P303-I328 HydrophobicContact CB-CD1 4.37Å; P303-I328 HydrophobicContact CB-CG1 4.22Å; P303-I328 HydrophobicContact CB-CG2 4.41Å; P303-I328 HydrophobicContact CG-CD1 3.92Å; P303-I328 HydrophobicContact CG-CG1 4.27Å; M326-I328 HydrophobicContact CE-CD1 4.02Å; M326-I328 HydrophobicContact CE-CG1 3.85Å |
| 329 | G | 87.8 | Confident | 85.7 | Confident | 19 Ų | 19 | 64.6 Ų | 64.6 | 20% | 0.196 | 35% | 0.347 | C | S | . | . | trans | -84.9 | -59.9 | 171 | 0 | 0 | 0 | 0 | 0 | 110.9 | R290 N305 V327 | R290-G329 WeakPolarHBondContact CD-O 3.35Å; R290-G329 PolarHBondContact NH1-O 3.27Å; N305-G329 VanDerWaalsContact O-CA 3.24Å; N305-G329 WeakPolarHBondContact O-CA 3.36Å; N305-G329 PolarHBondContact O-N 2.97Å; V327-G329 PolarHBondContact O-N 3.09Å | ||
| 330 | T | 85.4 | Confident | 83.9 | Confident | 65 Ų | 65 | 62.2 Ų | 62.2 | 40% | 0.399 | 34% | 0.339 | S | S | . | . | trans | -139.1 | 159 | -179.3 | 60.1 | 0 | 0 | 0 | 0 | 111.3 | H304 N305 | H304-T330 PolarHBondContact N-O 3.01Å; N305-T330 VanDerWaalsContact CB-OG1 3.31Å; N305-T330 WeakPolarHBondContact CB-OG1 3.35Å; N305-T330 PolarHBondContact N-OG1 3.49Å; N305-T330 PolarHBondContact O-N 2.94Å | ||
| 331 | C | 86.4 | Confident | 81.7 | Confident | 17 Ų | 17 | 64.2 Ų | 64.2 | 12% | 0.115 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 151.8 | 175.7 | -50.4 | 0 | 0 | 0 | 0 | 110 | C292 C301 T302 | C292-C331 WeakPolarHBondContact CA-SG 3.03Å; C292-C331 HydrophobicContact CB-CB 3.81Å; C292-C331 WeakPolarHBondContact CB-SG 3.4Å; C292-C331 WeakPolarHBondContact SG-CB 3.37Å; C292-C331 CovalentContact SG-SG 2.04Å; C292-C331 PolarHBondContact SG-SG 3.23Å; C301-C331 VanDerWaalsContact SG-CB 3.54Å; T302-C331 CarbonylContact O-C 3.44Å; T302-C331 WeakPolarHBondContact O-CA 3.42Å; T302-C331 WeakPolarHBondContact O-CB 3.17Å |
| 332 | T | 86.2 | Confident | 79.3 | Confident | 50 Ų | 50 | 67.6 Ų | 67.6 | 31% | 0.307 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 152.4 | 176.8 | 77.2 | 0 | 0 | 0 | 0 | 111.1 | C301 T302 H304 | C301-T332 CarbonylContact C-O 3.05Å; C301-T332 VanDerWaalsContact CA-O 3.31Å; C301-T332 WeakPolarHBondContact CA-O 3.05Å; T302-T332 PolarHBondContact N-O 3.32Å; T302-T332 PolarHBondContact O-N 2.04Å; H304-T332 HydrophobicContact CB-CG2 3.37Å; H304-T332 VanDerWaalsContact CG-CG2 3.49Å |
| 333 | C | 83.3 | Confident | 76.7 | Confident | 19 Ų | 19 | 64.6 Ų | 64.6 | 13% | 0.128 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 128.8 | 174.1 | -68 | 0 | 0 | 0 | 0 | 110.6 | K263 C264 C295 R299 C300 | K263-C333 PolarHBondContact O-SG 2.79Å; C264-C333 WeakPolarHBondContact CB-SG 3.31Å; C295-C333 HydrophobicContact CB-CB 3.99Å; C295-C333 WeakPolarHBondContact CB-SG 3.06Å; C295-C333 WeakPolarHBondContact SG-CB 3.48Å; C295-C333 CovalentContact SG-SG 2.01Å; C295-C333 PolarHBondContact SG-SG 2.83Å; R299-C333 HydrophobicContact CB-CB 4.09Å; R299-C333 VanDerWaalsContact CZ-CB 3.48Å; R299-C333 PolarHBondContact NH1-O 2.85Å; C300-C333 VanDerWaalsContact O-CA 3.3Å; C300-C333 WeakPolarHBondContact O-CA 2.99Å |
| 334 | H | 80.9 | Confident | 74.1 | Confident | 54 Ų | 54 | 67.7 Ų | 67.7 | 25% | 0.25 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 162 | 174.2 | 60 | 84.5 | 0 | 0 | 0 | 110.9 | R299 C300 T302 N336 | R299-H334 WeakPolarHBondContact CB-O 3.47Å; C300-H334 PolarHBondContact N-O 3.33Å; C300-H334 PolarHBondContact O-N 3.37Å; C300-H334 VanDerWaalsContact O-N 3.1Å; C300-H334 VanDerWaalsContact SG-CE1 3.51Å; C300-H334 PolarHBondContact SG-O 2.98Å; T302-H334 WeakPolarHBondContact CB-NE2 3.47Å; T302-H334 WeakPolarHBondContact CG2-NE2 3.2Å; T302-H334 PolarHBondContact OG1-CD2 2.87Å; T302-H334 PolarHBondContact OG1-NE2 2.8Å; H334-N336 PolarHBondContact CE1-O 3.42Å; H334-N336 PolarHBondContact ND1-O 3.48Å |
| 335 | T | 80.9 | Confident | 71.5 | Confident | 118 Ų | 118 | 71.5 Ų | 71.5 | 72% | 0.724 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -84.9 | -26.2 | -179.4 | 46.7 | 0 | 0 | 0 | 0 | 112.7 | R299 C337 | R299-T335 HydrophobicContact CG-CG2 3.91Å; T335-C337 VanDerWaalsContact C-N 3.33Å; T335-C337 PolarHBondContact O-N 2.88Å |
| 336 | N | 79 | Confident | 68.8 | Low | 140 Ų | 140 | 77.6 Ų | 77.6 | 75% | 0.749 | 42% | 0.424 | S | S | * | . | S | Bend | trans | -80.3 | 76.5 | -179 | -172.5 | 15.7 | 0 | 0 | 0 | 111.5 | H334 | H334-N336 PolarHBondContact CE1-O 3.42Å; H334-N336 PolarHBondContact ND1-O 3.48Å |
| 337 | C | 74.4 | Confident | 66.1 | Low | 50 Ų | 50 | 82.4 Ų | 82.4 | 34% | 0.338 | 45% | 0.446 | S | S | . | . | trans | -75.6 | 139.3 | -172.2 | -61.1 | 0 | 0 | 0 | 0 | 112.9 | C300 T335 K339 | C300-C337 HydrophobicContact CB-CB 3.82Å; C300-C337 WeakPolarHBondContact CB-SG 3.33Å; C300-C337 PolarHBondContact N-SG 2.85Å; C300-C337 VanDerWaalsContact N-SG 3.39Å; C300-C337 WeakPolarHBondContact SG-CA 3.41Å; C300-C337 WeakPolarHBondContact SG-CB 3.41Å; C300-C337 CovalentContact SG-SG 2.04Å; C300-C337 PolarHBondContact SG-SG 3.26Å; T335-C337 VanDerWaalsContact C-N 3.33Å; T335-C337 PolarHBondContact O-N 2.88Å; C337-K339 PolarHBondContact O-N 2.99Å; C337-K339 VanDerWaalsContact O-N 3.09Å | ||
| 338 | P | 66.6 | Low | 63.8 | Low | 70 Ų | 70 | 83.9 Ų | 83.9 | 46% | 0.455 | 45% | 0.452 | S | S | . | . | trans | -58.5 | 120 | 174.5 | 23.2 | -30.7 | 0 | 0 | 0 | 108.2 | A215 T302 N340 | A215-P338 HydrophobicContact CB-CB 4.18Å; T302-P338 HydrophobicContact CG2-CG 4.4Å; P338-N340 PolarHBondContact O-N 2.97Å; P338-N340 VanDerWaalsContact O-N 3.07Å | ||
| 339 | K | 60.7 | Low | 61.6 | Low | 167 Ų | 167 | 90.8 Ų | 90.8 | 73% | 0.726 | 48% | 0.484 | S | S | * | . | trans | -57.4 | 115.9 | 177.5 | -66.1 | -176 | -179.3 | -177 | 0 | 107.7 | C337 N341 | C337-K339 PolarHBondContact O-N 2.99Å; C337-K339 VanDerWaalsContact O-N 3.09Å; K339-N341 PolarHBondContact O-N 2.89Å | ||
| 340 | N | 50.6 | Low | 59.5 | Low | 80 Ų | 80 | 95.8 Ų | 95.8 | 43% | 0.428 | 51% | 0.506 | S | S | . | . | trans | -75.9 | 115.9 | -177.3 | -152.9 | 22.4 | 0 | 0 | 0 | 107.4 | P338 E342 | P338-N340 PolarHBondContact O-N 2.97Å; P338-N340 VanDerWaalsContact O-N 3.07Å; N340-E342 PolarHBondContact ND2-OE2 3.33Å; N340-E342 PolarHBondContact O-N 3.01Å | ||
| 341 | N | 45 | Very low | 57.6 | Low | 137 Ų | 137 | 99.4 Ų | 99.4 | 73% | 0.733 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | 5 | 175.5 | -79.8 | -0.3 | 0 | 0 | 0 | 113.4 | K339 A343 F344 | K339-N341 PolarHBondContact O-N 2.89Å; N341-A343 VanDerWaalsContact C-N 3.27Å; N341-A343 PolarHBondContact O-N 3.27Å; N341-F344 WeakPolarHBondContact O-CB 3.25Å; N341-F344 PolarHBondContact O-N 3.47Å |
| 342 | E | 43 | Very low | 55.7 | Low | 102 Ų | 102 | 103.3 Ų | 103.3 | 48% | 0.477 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -70.1 | -19.6 | 178.2 | -69.1 | -176 | 164.9 | 0 | 0 | 113.3 | N340 F344 L345 Q346 | N340-E342 PolarHBondContact ND2-OE2 3.33Å; N340-E342 PolarHBondContact O-N 3.01Å; E342-F344 PolarHBondContact O-N 3Å; E342-L345 PolarHBondContact O-N 3.4Å; E342-Q346 PolarHBondContact O-N 3.09Å |
| 343 | A | 38.8 | Very low | 53.7 | Low | 71 Ų | 71 | 106 Ų | 106 | 59% | 0.587 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.7 | -25.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | N341 E347 | N341-A343 VanDerWaalsContact C-N 3.27Å; N341-A343 PolarHBondContact O-N 3.27Å; A343-E347 PolarHBondContact O-N 3.38Å |
| 344 | F | 37.1 | Very low | 52 | Low | 150 Ų | 150 | 116 Ų | 116 | 66% | 0.658 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -77 | -33.4 | -179.9 | -166.9 | -103.5 | 0 | 0 | 0 | 112.4 | N341 E342 L348 | N341-F344 WeakPolarHBondContact O-CB 3.25Å; N341-F344 PolarHBondContact O-N 3.47Å; E342-F344 PolarHBondContact O-N 3Å; F344-L348 HydrophobicContact CD1-CD1 3.76Å; F344-L348 HydrophobicContact CE1-CD1 3.67Å; F344-L348 WeakPolarHBondContact O-CD1 3.35Å; F344-L348 PolarHBondContact O-N 2.92Å |
| 345 | L | 41.5 | Very low | 50.3 | Low | 113 Ų | 113 | 116.7 Ų | 116.7 | 59% | 0.592 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -75.6 | -33 | 179.9 | -69.7 | 172.1 | 0 | 0 | 0 | 112.6 | E342 E347 L348 E349 | E342-L345 PolarHBondContact O-N 3.4Å; L345-E347 VanDerWaalsContact C-N 3.34Å; L345-L348 HydrophobicContact CD2-CD1 4.44Å; L345-L348 PolarHBondContact O-N 3.45Å; L345-E349 PolarHBondContact O-N 2.98Å |
| 346 | Q | 37.8 | Very low | 48.5 | Very low | 134 Ų | 134 | 120.2 Ų | 120.2 | 63% | 0.626 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -72.2 | -30.9 | 176.8 | -135.2 | 166.8 | 10.4 | 0 | 0 | 112 | E342 E349 L350 | E342-Q346 PolarHBondContact O-N 3.09Å; Q346-E349 PolarHBondContact O-N 3.16Å; Q346-L350 PolarHBondContact O-N 3.33Å |
| 347 | E | 40.4 | Very low | 46.6 | Very low | 118 Ų | 118 | 125.8 Ų | 125.8 | 55% | 0.551 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -70.7 | -30.5 | 173.5 | -167.9 | 128.5 | -164.7 | 0 | 0 | 112.6 | A343 L345 K351 | A343-E347 PolarHBondContact O-N 3.38Å; L345-E347 VanDerWaalsContact C-N 3.34Å; E347-K351 HydrophobicContact CG-CD 4.45Å; E347-K351 WeakPolarHBondContact O-CB 3.46Å; E347-K351 VanDerWaalsContact O-CG 3.29Å; E347-K351 WeakPolarHBondContact O-CG 3.27Å; E347-K351 PolarHBondContact O-N 3.34Å; E347-K351 VanDerWaalsContact O-N 3.14Å |
| 348 | L | 44.4 | Very low | 45.2 | Very low | 84 Ų | 84 | 129.6 Ų | 129.6 | 44% | 0.44 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -70.4 | -37.9 | 172.7 | -86.2 | 151.4 | 0 | 0 | 0 | 112.7 | F344 L345 T352 | F344-L348 HydrophobicContact CD1-CD1 3.76Å; F344-L348 HydrophobicContact CE1-CD1 3.67Å; F344-L348 WeakPolarHBondContact O-CD1 3.35Å; F344-L348 PolarHBondContact O-N 2.92Å; L345-L348 HydrophobicContact CD2-CD1 4.44Å; L345-L348 PolarHBondContact O-N 3.45Å; L348-T352 WeakPolarHBondContact O-CB 3.46Å; L348-T352 PolarHBondContact O-N 3.11Å; L348-T352 VanDerWaalsContact O-N 3.1Å; L348-T352 PolarHBondContact O-OG1 3.44Å |
| 349 | E | 42.5 | Very low | 44 | Very low | 148 Ų | 148 | 132.7 Ų | 132.7 | 69% | 0.692 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -71.4 | -36.6 | 177.6 | -73.5 | -173.2 | 161.1 | 0 | 0 | 112.9 | L345 Q346 T352 T353 | L345-E349 PolarHBondContact O-N 2.98Å; Q346-E349 PolarHBondContact O-N 3.16Å; E349-T352 PolarHBondContact O-N 3.15Å; E349-T353 PolarHBondContact O-N 3.3Å; E349-T353 PolarHBondContact O-OG1 3.39Å |
| 350 | L | 43.7 | Very low | 43.1 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 65% | 0.649 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -70.9 | -32.2 | 174.4 | -96.1 | 140.5 | 0 | 0 | 0 | 113.1 | Q346 T353 | Q346-L350 PolarHBondContact O-N 3.33Å; L350-T353 PolarHBondContact O-OG1 3.26Å |
| 351 | K | 45.6 | Very low | 42.7 | Very low | 142 Ų | 142 | 133.8 Ų | 133.8 | 62% | 0.617 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -73.8 | -30.3 | 173.6 | -75.6 | 178.4 | -178.2 | 178.8 | 0 | 112.5 | E347 | E347-K351 HydrophobicContact CG-CD 4.45Å; E347-K351 WeakPolarHBondContact O-CB 3.46Å; E347-K351 VanDerWaalsContact O-CG 3.29Å; E347-K351 WeakPolarHBondContact O-CG 3.27Å; E347-K351 PolarHBondContact O-N 3.34Å; E347-K351 VanDerWaalsContact O-N 3.14Å |
| 352 | T | 46.7 | Very low | 42.5 | Very low | 99 Ų | 99 | 133.6 Ų | 133.6 | 61% | 0.607 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -73.2 | -29.1 | 178.8 | -53.6 | 0 | 0 | 0 | 0 | 112.8 | L348 E349 | L348-T352 WeakPolarHBondContact O-CB 3.46Å; L348-T352 PolarHBondContact O-N 3.11Å; L348-T352 VanDerWaalsContact O-N 3.1Å; L348-T352 PolarHBondContact O-OG1 3.44Å; E349-T352 PolarHBondContact O-N 3.15Å |
| 353 | T | 45.1 | Very low | 42.5 | Very low | 106 Ų | 106 | 135.7 Ų | 135.7 | 65% | 0.65 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -81.3 | -25.2 | 176.9 | 26.4 | 0 | 0 | 0 | 0 | 113.5 | E349 L350 | E349-T353 PolarHBondContact O-N 3.3Å; E349-T353 PolarHBondContact O-OG1 3.39Å; L350-T353 PolarHBondContact O-OG1 3.26Å |
| 354 | R | 46.5 | Very low | 42.7 | Very low | 230 Ų | 230 | 140.4 Ų | 140.4 | 87% | 0.868 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -81.9 | -13.4 | 178.2 | -152.5 | 171.9 | -158.9 | 165.3 | 5.2 | 114.2 | ||
| 355 | G | 45.4 | Very low | 43.2 | Very low | 67 Ų | 67 | 139.6 Ų | 139.6 | 69% | 0.691 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | 13.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 356 | K | 44.3 | Very low | 43.3 | Very low | 193 Ų | 193 | 141.8 Ų | 141.8 | 84% | 0.839 | 71% | 0.708 | S | S | * | * | trans | -128.9 | 20.8 | -175.5 | -111.6 | -175.2 | -176.3 | -180 | 0 | 115.3 | ||||
| 357 | M | 37.6 | Very low | 43.8 | Very low | 257 Ų | 257 | 142.5 Ų | 142.5 | 100% | 1.266 | 72% | 0.716 | S | S | * | * | trans | -116.1 | 0 | 166.6 | -91.8 | -179.6 | 170.1 | 0 | 0 | 110.9 |
Retrieved 357 of 357 residues in 79.4 ms
(Link to these results)