| 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 | 43.9 | Very low | 40.6 | Very low | 223 Ų | 223 | 132.7 Ų | 132.7 | 100% | 1.099 | 70% | 0.7 | S | S | * | * | 0 | -20.8 | 0 | -97.1 | 177.1 | 161.1 | 0 | 0 | 115 | |||||
| 2 | A | 33.9 | Very low | 40.9 | Very low | 83 Ų | 83 | 132.4 Ų | 132.4 | 69% | 0.686 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -12.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 3 | L | 34.3 | Very low | 41.2 | Very low | 159 Ų | 159 | 132.2 Ų | 132.2 | 83% | 0.832 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -81.7 | -20.7 | 177.7 | -93.1 | 92.6 | 0 | 0 | 0 | 114.2 | ||
| 4 | S | 38 | Very low | 41.6 | Very low | 71 Ų | 71 | 129.2 Ų | 129.2 | 50% | 0.497 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -81.6 | -22.1 | -178.2 | 69.3 | 0 | 0 | 0 | 0 | 113.6 | ||
| 5 | L | 36.8 | Very low | 41.7 | Very low | 133 Ų | 133 | 129.6 Ų | 129.6 | 70% | 0.696 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -77.1 | -36.3 | 176.7 | -103.5 | 82.8 | 0 | 0 | 0 | 112.9 | S7 R8 C9 | L5-S7 PolarHBondContact O-N 3.49Å; L5-R8 PolarHBondContact O-N 3.24Å; L5-C9 PolarHBondContact O-N 2.83Å |
| 6 | R | 42.8 | Very low | 41.9 | Very low | 206 Ų | 206 | 128.9 Ų | 128.9 | 78% | 0.777 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -67.7 | -34.5 | 179.7 | -79.9 | -171.8 | 173.5 | -167.4 | -1.6 | 112.9 | L10 | R6-L10 PolarHBondContact O-N 3.11Å |
| 7 | S | 39 | Very low | 42 | Very low | 80 Ų | 80 | 126.3 Ų | 126.3 | 56% | 0.559 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -67.7 | -35 | 177.6 | -167 | 0 | 0 | 0 | 0 | 112.2 | L5 V11 | L5-S7 PolarHBondContact O-N 3.49Å; S7-V11 WeakPolarHBondContact O-CG2 3.44Å |
| 8 | R | 41.7 | Very low | 42.3 | Very low | 201 Ų | 201 | 125.7 Ų | 125.7 | 76% | 0.758 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -75.2 | -29.6 | 178.6 | -71.5 | -174.3 | 174.9 | -161.4 | -1.4 | 114 | L5 | L5-R8 PolarHBondContact O-N 3.24Å |
| 9 | C | 41.8 | Very low | 42.3 | Very low | 89 Ų | 89 | 129.3 Ų | 129.3 | 60% | 0.601 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -71.6 | -35.5 | 175 | -99 | 0 | 0 | 0 | 0 | 113.3 | L5 L12 L13 | L5-C9 PolarHBondContact O-N 2.83Å; C9-L12 PolarHBondContact O-N 3.02Å; C9-L13 PolarHBondContact O-N 3.09Å |
| 10 | L | 46.5 | Very low | 42.1 | Very low | 126 Ų | 126 | 129.1 Ų | 129.1 | 66% | 0.66 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -70.1 | -32.7 | 178.2 | -103.4 | 108.7 | 0 | 0 | 0 | 113 | R6 | R6-L10 PolarHBondContact O-N 3.11Å |
| 11 | V | 48.5 | Very low | 41.8 | Very low | 89 Ų | 89 | 126.3 Ų | 126.3 | 54% | 0.539 | 71% | 0.713 | S | S | . | * | H | α-helix | trans | -71.5 | -32.9 | 178.2 | 176.5 | 0 | 0 | 0 | 0 | 111.6 | S7 C14 | S7-V11 WeakPolarHBondContact O-CG2 3.44Å; V11-C14 PolarHBondContact O-N 3.34Å |
| 12 | L | 43.9 | Very low | 41.7 | Very low | 129 Ų | 129 | 125 Ų | 125 | 68% | 0.675 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -70.5 | -33.3 | 176.9 | -115.8 | 90.2 | 0 | 0 | 0 | 113.2 | C9 C14 L15 | C9-L12 PolarHBondContact O-N 3.02Å; L12-C14 VanDerWaalsContact C-N 3.31Å; L12-C14 PolarHBondContact O-N 2.93Å; L12-L15 PolarHBondContact O-N 2.99Å |
| 13 | L | 44.7 | Very low | 41.8 | Very low | 130 Ų | 130 | 125.5 Ų | 125.5 | 68% | 0.681 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -71.4 | -23.4 | 177.2 | -95.7 | 148.6 | 0 | 0 | 0 | 113.3 | C9 T16 | C9-L13 PolarHBondContact O-N 3.09Å; L13-T16 PolarHBondContact O-OG1 3.35Å |
| 14 | C | 46.5 | Very low | 42 | Very low | 90 Ų | 90 | 122.7 Ų | 122.7 | 61% | 0.608 | 71% | 0.708 | S | S | * | * | H | α-helix | trans | -82.4 | -20.6 | 177 | -73.2 | 0 | 0 | 0 | 0 | 113.6 | V11 L12 | V11-C14 PolarHBondContact O-N 3.34Å; L12-C14 VanDerWaalsContact C-N 3.31Å; L12-C14 PolarHBondContact O-N 2.93Å |
| 15 | L | 42.7 | Very low | 42.4 | Very low | 135 Ų | 135 | 127.5 Ų | 127.5 | 71% | 0.707 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -83.2 | -15.7 | -178.8 | -83.3 | 159 | 0 | 0 | 0 | 113.6 | L12 | L12-L15 PolarHBondContact O-N 2.99Å |
| 16 | T | 44.8 | Very low | 42.8 | Very low | 118 Ų | 118 | 130 Ų | 130 | 72% | 0.724 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.5 | -2.9 | 178.3 | 53.8 | 0 | 0 | 0 | 0 | 114.1 | L13 | L13-T16 PolarHBondContact O-OG1 3.35Š|
| 17 | A | 45 | Very low | 43.1 | Very low | 85 Ų | 85 | 125.9 Ų | 125.9 | 70% | 0.702 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -102.2 | 11 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 18 | V | 46.6 | Very low | 43.7 | Very low | 116 Ų | 116 | 127.8 Ų | 127.8 | 70% | 0.703 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -119.8 | 55.1 | 178.3 | -165.8 | 0 | 0 | 0 | 0 | 110.4 | ||
| 19 | H | 43.4 | Very low | 44.2 | Very low | 193 Ų | 193 | 123.5 Ų | 123.5 | 89% | 0.894 | 74% | 0.74 | S | S | * | * | trans | -147.1 | 106.7 | 157.4 | -104.9 | 56.4 | 0 | 0 | 0 | 107.9 | ||||
| 20 | C | 36.5 | Very low | 45.4 | Very low | 126 Ų | 126 | 123.8 Ų | 123.8 | 85% | 0.851 | 74% | 0.735 | S | S | * | * | trans | -138 | 99.9 | 164.4 | -156.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 21 | G | 36.7 | Very low | 46 | Very low | 70 Ų | 70 | 125.9 Ų | 125.9 | 72% | 0.722 | 74% | 0.739 | S | S | * | * | trans | -91.2 | 129.2 | 160.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 22 | H | 40.8 | Very low | 46.8 | Very low | 196 Ų | 196 | 128.8 Ų | 128.8 | 91% | 0.907 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 21.3 | 101.8 | 159 | -83.6 | 71.2 | 0 | 0 | 0 | 118.8 | ||
| 23 | A | 36 | Very low | 47.7 | Very low | 93 Ų | 93 | 127.6 Ų | 127.6 | 77% | 0.769 | 74% | 0.737 | S | S | * | * | 158.5 | 139.9 | 114.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 24 | A | 38.6 | Very low | 48.9 | Very low | 101 Ų | 101 | 124.8 Ų | 124.8 | 84% | 0.835 | 73% | 0.725 | S | S | * | * | S | Bend | trans | 75.1 | 92.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||
| 25 | L | 46.4 | Very low | 50.1 | Low | 171 Ų | 171 | 123.4 Ų | 123.4 | 90% | 0.895 | 71% | 0.714 | S | S | * | * | trans | 49.1 | 81.2 | 135.1 | -141.4 | 94.2 | 0 | 0 | 0 | 119.8 | ||||
| 26 | Q | 45.7 | Very low | 51.7 | Low | 187 Ų | 187 | 118.7 Ų | 118.7 | 87% | 0.874 | 70% | 0.698 | S | S | * | * | trans | -164.7 | 135.2 | 134.4 | -117.5 | 160.8 | -22.3 | 0 | 0 | 111.8 | C28 | Q26-C28 PolarHBondContact O-N 3.45Å; Q26-C28 VanDerWaalsContact O-N 3.11Å | ||
| 27 | S | 50.3 | Low | 53.1 | Low | 118 Ų | 118 | 116.7 Ų | 116.7 | 83% | 0.825 | 69% | 0.686 | S | S | * | * | trans | -40.8 | 105 | -177.8 | 164.7 | 0 | 0 | 0 | 0 | 114.6 | M29 | S27-M29 PolarHBondContact O-N 3.15Š| ||
| 28 | C | 49.6 | Very low | 54.3 | Low | 120 Ų | 120 | 117.8 Ų | 117.8 | 81% | 0.811 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 121.2 | 166.8 | -66.3 | 0 | 0 | 0 | 0 | 110 | Q26 | Q26-C28 PolarHBondContact O-N 3.45Å; Q26-C28 VanDerWaalsContact O-N 3.11Å |
| 29 | M | 53.6 | Low | 55.7 | Low | 111 Ų | 111 | 120.5 Ų | 120.5 | 55% | 0.547 | 68% | 0.676 | S | S | . | * | P | Polyproline II helix | trans | -67.2 | 134.9 | 173.7 | -66.9 | -165.8 | 76.9 | 0 | 0 | 110.5 | S27 Q33 V34 | S27-M29 PolarHBondContact O-N 3.15Å; M29-Q33 HydrophobicContact CE-CB 3.9Å; M29-Q33 HydrophobicContact CE-CG 4.36Å; M29-V34 HydrophobicContact CB-CG2 4.38Å |
| 30 | D | 65.9 | Low | 57.2 | Low | 96 Ų | 96 | 118 Ų | 118 | 51% | 0.513 | 67% | 0.666 | S | S | . | * | P | Polyproline II helix | trans | -59.9 | 145.2 | 179.6 | 178.6 | 31.7 | 0 | 0 | 0 | 111.3 | H32 Q33 V34 | D30-H32 PolarHBondContact O-N 3.49Å; D30-H32 VanDerWaalsContact O-N 3.09Å; D30-H32 WeakPolarHBondContact OD2-CB 3.39Å; D30-H32 IonicContact OD2-CD2 3.88Å; D30-H32 IonicContact OD2-CG 2.61Å; D30-Q33 WeakPolarHBondContact O-CA 3.34Å; D30-Q33 WeakPolarHBondContact O-CB 3.41Å; D30-Q33 PolarHBondContact O-N 2.98Å; D30-V34 PolarHBondContact O-N 3.03Å |
| 31 | K | 60 | Low | 58.9 | Low | 169 Ų | 169 | 117.5 Ų | 117.5 | 74% | 0.735 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -55.3 | -32.1 | -178.4 | -173.1 | 177.8 | 178.6 | 180 | 0 | 111.5 | V35 | K31-V35 WeakPolarHBondContact O-CG2 3.46Å; K31-V35 PolarHBondContact O-N 3.34Å |
| 32 | H | 64.3 | Low | 60.7 | Low | 151 Ų | 151 | 119.1 Ų | 119.1 | 70% | 0.699 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -69.3 | -32.8 | 174.5 | -75 | -93.4 | 0 | 0 | 0 | 113.4 | D30 G36 | D30-H32 PolarHBondContact O-N 3.49Å; D30-H32 VanDerWaalsContact O-N 3.09Å; D30-H32 WeakPolarHBondContact OD2-CB 3.39Å; D30-H32 IonicContact OD2-CD2 3.88Å; D30-H32 IonicContact OD2-CG 2.61Å; H32-G36 PolarHBondContact O-N 3.23Å |
| 33 | Q | 63.1 | Low | 62.3 | Low | 103 Ų | 103 | 117.6 Ų | 117.6 | 48% | 0.481 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -70 | -41.3 | 175.6 | -74.3 | -175.8 | -30.2 | 0 | 0 | 111.8 | M29 D30 V35 G36 V37 | M29-Q33 HydrophobicContact CE-CB 3.9Å; M29-Q33 HydrophobicContact CE-CG 4.36Å; D30-Q33 WeakPolarHBondContact O-CA 3.34Å; D30-Q33 WeakPolarHBondContact O-CB 3.41Å; D30-Q33 PolarHBondContact O-N 2.98Å; Q33-V35 PolarHBondContact O-N 3.47Å; Q33-G36 WeakPolarHBondContact O-CA 3.38Å; Q33-G36 PolarHBondContact O-N 3.42Å; Q33-G36 VanDerWaalsContact O-N 3.15Å; Q33-V37 WeakPolarHBondContact O-CG2 3.39Å; Q33-V37 PolarHBondContact O-N 3.46Å |
| 34 | V | 69.3 | Low | 64.2 | Low | 71 Ų | 71 | 119 Ų | 119 | 43% | 0.43 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64.2 | -42 | 178.1 | -179.7 | 0 | 0 | 0 | 0 | 111.3 | M29 D30 G36 V37 L38 | M29-V34 HydrophobicContact CB-CG2 4.38Å; D30-V34 PolarHBondContact O-N 3.03Å; V34-G36 VanDerWaalsContact C-N 3.29Å; V34-G36 PolarHBondContact O-N 3.44Å; V34-V37 PolarHBondContact O-N 3.48Å; V34-L38 HydrophobicContact CG1-CD1 4.24Å; V34-L38 WeakPolarHBondContact O-CG 3.45Å; V34-L38 PolarHBondContact O-N 2.88Å |
| 35 | V | 72.4 | Confident | 65.6 | Low | 62 Ų | 62 | 119.1 Ų | 119.1 | 38% | 0.376 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -65.1 | -35.2 | 174.3 | 175.1 | 0 | 0 | 0 | 0 | 111.4 | K31 Q33 R39 | K31-V35 WeakPolarHBondContact O-CG2 3.46Å; K31-V35 PolarHBondContact O-N 3.34Å; Q33-V35 PolarHBondContact O-N 3.47Å; V35-R39 WeakPolarHBondContact O-CB 3.48Å; V35-R39 WeakPolarHBondContact O-CG 3.4Å; V35-R39 PolarHBondContact O-N 3.17Å |
| 36 | G | 76.8 | Confident | 67 | Low | 35 Ų | 35 | 116.2 Ų | 116.2 | 36% | 0.361 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -60.8 | -49.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | H32 Q33 V34 R39 Q40 | H32-G36 PolarHBondContact O-N 3.23Å; Q33-G36 WeakPolarHBondContact O-CA 3.38Å; Q33-G36 PolarHBondContact O-N 3.42Å; Q33-G36 VanDerWaalsContact O-N 3.15Å; V34-G36 VanDerWaalsContact C-N 3.29Å; V34-G36 PolarHBondContact O-N 3.44Å; G36-R39 PolarHBondContact O-N 3.07Å; G36-Q40 WeakPolarHBondContact O-CB 3.48Å; G36-Q40 PolarHBondContact O-N 3.39Å |
| 37 | V | 73.1 | Confident | 68.4 | Low | 77 Ų | 77 | 108.6 Ų | 108.6 | 47% | 0.467 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.2 | -43.2 | 178.4 | 175 | 0 | 0 | 0 | 0 | 111.3 | Q33 V34 R39 Q40 M41 | Q33-V37 WeakPolarHBondContact O-CG2 3.39Å; Q33-V37 PolarHBondContact O-N 3.46Å; V34-V37 PolarHBondContact O-N 3.48Å; V37-R39 PolarHBondContact O-N 3.46Å; V37-Q40 WeakPolarHBondContact O-CB 3.4Å; V37-Q40 PolarHBondContact O-N 2.9Å; V37-M41 WeakPolarHBondContact O-CB 3.45Å; V37-M41 PolarHBondContact O-N 3.26Å |
| 38 | L | 71.9 | Confident | 69.2 | Low | 108 Ų | 108 | 107.9 Ų | 107.9 | 57% | 0.565 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.6 | -42.3 | 177.3 | -73.6 | 171.1 | 0 | 0 | 0 | 112.3 | V34 Q40 M41 E42 | V34-L38 HydrophobicContact CG1-CD1 4.24Å; V34-L38 WeakPolarHBondContact O-CG 3.45Å; V34-L38 PolarHBondContact O-N 2.88Å; L38-Q40 VanDerWaalsContact C-N 3.3Å; L38-Q40 PolarHBondContact O-N 3.47Å; L38-M41 PolarHBondContact O-N 2.93Å; L38-E42 WeakPolarHBondContact O-CB 3.5Å; L38-E42 PolarHBondContact O-N 2.89Å |
| 39 | R | 75.2 | Confident | 70.4 | Confident | 172 Ų | 172 | 108.3 Ų | 108.3 | 65% | 0.649 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.5 | -35.2 | 174.5 | -76.6 | 179.5 | 177.1 | 175.1 | 0.5 | 112.3 | V35 G36 V37 K43 | V35-R39 WeakPolarHBondContact O-CB 3.48Å; V35-R39 WeakPolarHBondContact O-CG 3.4Å; V35-R39 PolarHBondContact O-N 3.17Å; G36-R39 PolarHBondContact O-N 3.07Å; V37-R39 PolarHBondContact O-N 3.46Å; R39-K43 WeakPolarHBondContact O-CG 3.4Å; R39-K43 PolarHBondContact O-N 3.18Å |
| 40 | Q | 75.6 | Confident | 71.3 | Confident | 142 Ų | 142 | 108.5 Ų | 108.5 | 66% | 0.664 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -70.6 | -39 | 177.8 | -156.5 | 173.6 | 6.1 | 0 | 0 | 111.4 | G36 V37 L38 K43 F44 | G36-Q40 WeakPolarHBondContact O-CB 3.48Å; G36-Q40 PolarHBondContact O-N 3.39Å; V37-Q40 WeakPolarHBondContact O-CB 3.4Å; V37-Q40 PolarHBondContact O-N 2.9Å; L38-Q40 VanDerWaalsContact C-N 3.3Å; L38-Q40 PolarHBondContact O-N 3.47Å; Q40-K43 PolarHBondContact O-N 2.93Å; Q40-F44 WeakPolarHBondContact O-CB 3.33Å; Q40-F44 PolarHBondContact O-N 2.71Å |
| 41 | M | 71.3 | Confident | 71.6 | Confident | 115 Ų | 115 | 113 Ų | 113 | 57% | 0.567 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -70.1 | -37.6 | 176.5 | -159.6 | 154 | 137.2 | 0 | 0 | 111.9 | V37 L38 F44 L45 | V37-M41 WeakPolarHBondContact O-CB 3.45Å; V37-M41 PolarHBondContact O-N 3.26Å; L38-M41 PolarHBondContact O-N 2.93Å; M41-F44 WeakPolarHBondContact O-CB 3.5Å; M41-F44 PolarHBondContact O-N 3.41Å; M41-L45 WeakPolarHBondContact O-CB 3.5Å; M41-L45 WeakPolarHBondContact O-CG 3.46Å; M41-L45 PolarHBondContact O-N 3.16Å |
| 42 | E | 75.4 | Confident | 72.2 | Confident | 103 Ų | 103 | 111.9 Ų | 111.9 | 48% | 0.481 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.5 | -42.2 | 172.4 | -163.8 | -166.9 | 152.5 | 0 | 0 | 111.8 | L38 F44 L45 K46 | L38-E42 WeakPolarHBondContact O-CB 3.5Å; L38-E42 PolarHBondContact O-N 2.89Å; E42-F44 VanDerWaalsContact C-N 3.32Å; E42-F44 PolarHBondContact O-N 3.48Å; E42-L45 PolarHBondContact O-N 3.07Å; E42-K46 WeakPolarHBondContact O-CB 3.46Å; E42-K46 WeakPolarHBondContact O-CG 3.5Å; E42-K46 PolarHBondContact O-N 3.41Å; E42-K46 IonicContact OE1-NZ 3.57Å; E42-K46 PolarHBondContact OE1-NZ 2.9Å |
| 43 | K | 73.7 | Confident | 72.8 | Confident | 164 Ų | 164 | 108.4 Ų | 108.4 | 71% | 0.713 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62.4 | -38.8 | 172.7 | -78.6 | -178.4 | 179 | -176.3 | 0 | 112 | R39 Q40 G47 | R39-K43 WeakPolarHBondContact O-CG 3.4Å; R39-K43 PolarHBondContact O-N 3.18Å; Q40-K43 PolarHBondContact O-N 2.93Å; K43-G47 PolarHBondContact O-N 2.93Å |
| 44 | F | 75.2 | Confident | 73.5 | Confident | 123 Ų | 123 | 107.2 Ų | 107.2 | 54% | 0.539 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.8 | -45.4 | 176.6 | -178.9 | -97.3 | 0 | 0 | 0 | 112 | Q40 M41 E42 G47 Q48 | Q40-F44 WeakPolarHBondContact O-CB 3.33Å; Q40-F44 PolarHBondContact O-N 2.71Å; M41-F44 WeakPolarHBondContact O-CB 3.5Å; M41-F44 PolarHBondContact O-N 3.41Å; E42-F44 VanDerWaalsContact C-N 3.32Å; E42-F44 PolarHBondContact O-N 3.48Å; F44-G47 WeakPolarHBondContact O-CA 3.5Å; F44-G47 PolarHBondContact O-N 3.41Å; F44-Q48 HydrophobicContact CD1-CG 4.24Å; F44-Q48 HydrophobicContact CE1-CG 3.87Å; F44-Q48 HydrophobicContact CZ-CG 4.11Å; F44-Q48 WeakPolarHBondContact O-CG 3.42Å; F44-Q48 PolarHBondContact O-N 2.94Å |
| 45 | L | 68.8 | Low | 74 | Confident | 104 Ų | 104 | 105.1 Ų | 105.1 | 55% | 0.545 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.5 | -43.3 | 177.5 | -71.5 | 170 | 0 | 0 | 0 | 111.9 | M41 E42 G47 Q48 E49 | M41-L45 WeakPolarHBondContact O-CB 3.5Å; M41-L45 WeakPolarHBondContact O-CG 3.46Å; M41-L45 PolarHBondContact O-N 3.16Å; E42-L45 PolarHBondContact O-N 3.07Å; L45-G47 VanDerWaalsContact C-N 3.29Å; L45-G47 PolarHBondContact O-N 3.01Å; L45-Q48 PolarHBondContact O-N 3.43Å; L45-Q48 VanDerWaalsContact O-N 3.16Å; L45-E49 PolarHBondContact O-N 3.33Å |
| 46 | K | 74.9 | Confident | 74.2 | Confident | 110 Ų | 110 | 106.6 Ų | 106.6 | 48% | 0.478 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -60.4 | -38.9 | 171.6 | -79.6 | 173.6 | 170.8 | 163.4 | 0 | 111.8 | E42 E49 I50 | E42-K46 WeakPolarHBondContact O-CB 3.46Å; E42-K46 WeakPolarHBondContact O-CG 3.5Å; E42-K46 PolarHBondContact O-N 3.41Å; E42-K46 IonicContact OE1-NZ 3.57Å; E42-K46 PolarHBondContact OE1-NZ 2.9Å; K46-E49 PolarHBondContact O-N 3.38Å; K46-I50 WeakPolarHBondContact O-CD1 3.46Å; K46-I50 VanDerWaalsContact O-CG1 3.23Å; K46-I50 WeakPolarHBondContact O-CG1 3.37Å; K46-I50 PolarHBondContact O-N 3.41Å |
| 47 | G | 76 | Confident | 74.4 | Confident | 27 Ų | 27 | 112.9 Ų | 112.9 | 28% | 0.278 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.8 | -38.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | K43 F44 L45 R51 | K43-G47 PolarHBondContact O-N 2.93Å; F44-G47 WeakPolarHBondContact O-CA 3.5Å; F44-G47 PolarHBondContact O-N 3.41Å; L45-G47 VanDerWaalsContact C-N 3.29Å; L45-G47 PolarHBondContact O-N 3.01Å; G47-R51 WeakPolarHBondContact O-CG 3.44Å; G47-R51 PolarHBondContact O-N 3.48Å; G47-R51 VanDerWaalsContact O-N 3.07Å |
| 48 | Q | 67.4 | Low | 74.8 | Confident | 103 Ų | 103 | 113.2 Ų | 113.2 | 48% | 0.481 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.8 | -39.8 | 175.3 | -69.4 | -126 | -33.5 | 0 | 0 | 112.1 | F44 L45 R51 F52 | F44-Q48 HydrophobicContact CD1-CG 4.24Å; F44-Q48 HydrophobicContact CE1-CG 3.87Å; F44-Q48 HydrophobicContact CZ-CG 4.11Å; F44-Q48 WeakPolarHBondContact O-CG 3.42Å; F44-Q48 PolarHBondContact O-N 2.94Å; L45-Q48 PolarHBondContact O-N 3.43Å; L45-Q48 VanDerWaalsContact O-N 3.16Å; Q48-R51 PolarHBondContact O-N 3.24Å; Q48-F52 WeakPolarHBondContact O-CB 3.35Å; Q48-F52 PolarHBondContact O-N 2.91Å |
| 49 | E | 73.6 | Confident | 74.9 | Confident | 128 Ų | 128 | 114 Ų | 114 | 60% | 0.598 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.4 | -41.9 | 175.9 | -171.4 | 174.9 | -171.6 | 0 | 0 | 112 | L45 K46 F52 T53 | L45-E49 PolarHBondContact O-N 3.33Å; K46-E49 PolarHBondContact O-N 3.38Å; E49-F52 PolarHBondContact O-N 3.37Å; E49-T53 WeakPolarHBondContact O-CB 3.23Å; E49-T53 WeakPolarHBondContact O-CG2 3.47Å; E49-T53 PolarHBondContact O-N 2.87Å; E49-T53 PolarHBondContact O-OG1 2.89Å |
| 50 | I | 73.7 | Confident | 75.1 | Confident | 115 Ų | 115 | 113.3 Ų | 113.3 | 59% | 0.59 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.5 | -41.8 | 174.6 | -66.7 | 165.1 | 0 | 0 | 0 | 111.2 | K46 T53 E54 | K46-I50 WeakPolarHBondContact O-CD1 3.46Å; K46-I50 VanDerWaalsContact O-CG1 3.23Å; K46-I50 WeakPolarHBondContact O-CG1 3.37Å; K46-I50 PolarHBondContact O-N 3.41Å; I50-T53 VanDerWaalsContact CA-OG1 3.32Å; I50-T53 WeakPolarHBondContact CA-OG1 3.45Å; I50-T53 PolarHBondContact O-OG1 3.3Å; I50-E54 WeakPolarHBondContact O-CB 3.47Å; I50-E54 PolarHBondContact O-N 2.76Å |
| 51 | R | 72.2 | Confident | 75.4 | Confident | 191 Ų | 191 | 110.4 Ų | 110.4 | 72% | 0.721 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -67.6 | -36.9 | 176.4 | -72.7 | -179.4 | -162.5 | 175.1 | 4.9 | 112.6 | G47 Q48 G55 | G47-R51 WeakPolarHBondContact O-CG 3.44Å; G47-R51 PolarHBondContact O-N 3.48Å; G47-R51 VanDerWaalsContact O-N 3.07Å; Q48-R51 PolarHBondContact O-N 3.24Å; R51-G55 PolarHBondContact O-N 2.97Å |
| 52 | F | 72.9 | Confident | 75.9 | Confident | 145 Ų | 145 | 111.7 Ų | 111.7 | 64% | 0.636 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -67.9 | -44.5 | 177.8 | -173.8 | -99.7 | 0 | 0 | 0 | 111.3 | Q48 E49 G55 L56 | Q48-F52 WeakPolarHBondContact O-CB 3.35Å; Q48-F52 PolarHBondContact O-N 2.91Å; E49-F52 PolarHBondContact O-N 3.37Å; F52-G55 PolarHBondContact O-N 3.31Å; F52-L56 HydrophobicContact CD1-CD1 4.05Å; F52-L56 HydrophobicContact CE1-CD1 3.46Å; F52-L56 VanDerWaalsContact CE1-CD1 3.46Å; F52-L56 HydrophobicContact CZ-CD1 3.94Å; F52-L56 PolarHBondContact O-N 3.46Å |
| 53 | T | 76.9 | Confident | 75.8 | Confident | 78 Ų | 78 | 111.6 Ų | 111.6 | 48% | 0.479 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.8 | -40 | 176.2 | 44.7 | 0 | 0 | 0 | 0 | 112.3 | E49 I50 L56 R57 | E49-T53 WeakPolarHBondContact O-CB 3.23Å; E49-T53 WeakPolarHBondContact O-CG2 3.47Å; E49-T53 PolarHBondContact O-N 2.87Å; E49-T53 PolarHBondContact O-OG1 2.89Å; I50-T53 VanDerWaalsContact CA-OG1 3.32Å; I50-T53 WeakPolarHBondContact CA-OG1 3.45Å; I50-T53 PolarHBondContact O-OG1 3.3Å; T53-L56 WeakPolarHBondContact O-CB 3.47Å; T53-L56 PolarHBondContact O-N 3.27Å; T53-R57 PolarHBondContact O-N 3.17Å |
| 54 | E | 78.2 | Confident | 75.8 | Confident | 79 Ų | 79 | 105.8 Ų | 105.8 | 37% | 0.369 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.5 | -36.8 | 173.5 | -167.4 | 59.2 | -157.6 | 0 | 0 | 112 | I50 L56 R57 I58 | I50-E54 WeakPolarHBondContact O-CB 3.47Å; I50-E54 PolarHBondContact O-N 2.76Å; E54-L56 VanDerWaalsContact C-N 3.31Å; E54-L56 PolarHBondContact O-N 2.87Å; E54-R57 WeakPolarHBondContact O-CB 3.41Å; E54-R57 PolarHBondContact O-N 2.94Å; E54-R57 VanDerWaalsContact O-N 3.17Å; E54-R57 IonicContact OE1-CZ 3.49Å; E54-R57 IonicContact OE1-NE 3.11Å; E54-R57 PolarHBondContact OE1-NE 2.98Å; E54-R57 IonicContact OE1-NH2 3.34Å; E54-R57 PolarHBondContact OE1-NH2 2.9Å; E54-R57 WeakPolarHBondContact OE2-CD 3.32Å; E54-R57 IonicContact OE2-NE 2.69Å; E54-R57 PolarHBondContact OE2-NE 2.92Å; E54-I58 HydrophobicContact CG-CD1 4.23Å; E54-I58 VanDerWaalsContact O-CG1 3.3Å; E54-I58 WeakPolarHBondContact O-CG1 3.49Å; E54-I58 PolarHBondContact O-N 3.48Å |
| 55 | G | 78.4 | Confident | 75.8 | Confident | 26 Ų | 26 | 103.2 Ų | 103.2 | 27% | 0.268 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.3 | -41.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R51 F52 I58 M59 | R51-G55 PolarHBondContact O-N 2.97Å; F52-G55 PolarHBondContact O-N 3.31Å; G55-I58 PolarHBondContact O-N 3.42Å; G55-M59 WeakPolarHBondContact O-CB 3.3Å; G55-M59 WeakPolarHBondContact O-CG 3.45Å; G55-M59 PolarHBondContact O-N 2.96Å |
| 56 | L | 76.3 | Confident | 75.9 | Confident | 93 Ų | 93 | 103.5 Ų | 103.5 | 49% | 0.487 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.4 | -38.1 | 174.3 | -120.8 | 142 | 0 | 0 | 0 | 112 | F52 T53 E54 M59 K60 | F52-L56 HydrophobicContact CD1-CD1 4.05Å; F52-L56 HydrophobicContact CE1-CD1 3.46Å; F52-L56 VanDerWaalsContact CE1-CD1 3.46Å; F52-L56 HydrophobicContact CZ-CD1 3.94Å; F52-L56 PolarHBondContact O-N 3.46Å; T53-L56 WeakPolarHBondContact O-CB 3.47Å; T53-L56 PolarHBondContact O-N 3.27Å; E54-L56 VanDerWaalsContact C-N 3.31Å; E54-L56 PolarHBondContact O-N 2.87Å; L56-M59 PolarHBondContact O-N 3.39Å; L56-K60 VanDerWaalsContact O-CB 3.32Å; L56-K60 WeakPolarHBondContact O-CB 3.43Å; L56-K60 PolarHBondContact O-N 3.32Å |
| 57 | R | 81.3 | Confident | 75.6 | Confident | 168 Ų | 168 | 103.9 Ų | 103.9 | 63% | 0.634 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -64.4 | -44.3 | 175.1 | -159.9 | -178.2 | 93.9 | 92.1 | 0.1 | 111.8 | T53 E54 K60 S61 | T53-R57 PolarHBondContact O-N 3.17Å; E54-R57 WeakPolarHBondContact O-CB 3.41Å; E54-R57 PolarHBondContact O-N 2.94Å; E54-R57 VanDerWaalsContact O-N 3.17Å; E54-R57 IonicContact OE1-CZ 3.49Å; E54-R57 IonicContact OE1-NE 3.11Å; E54-R57 PolarHBondContact OE1-NE 2.98Å; E54-R57 IonicContact OE1-NH2 3.34Å; E54-R57 PolarHBondContact OE1-NH2 2.9Å; E54-R57 WeakPolarHBondContact OE2-CD 3.32Å; E54-R57 IonicContact OE2-NE 2.69Å; E54-R57 PolarHBondContact OE2-NE 2.92Å; R57-K60 PolarHBondContact O-N 2.84Å; R57-S61 WeakPolarHBondContact O-CB 3.35Å; R57-S61 PolarHBondContact O-N 2.9Å |
| 58 | I | 81.8 | Confident | 75.2 | Confident | 84 Ų | 84 | 107.6 Ų | 107.6 | 43% | 0.431 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.5 | -43.9 | 175.7 | -67 | 165.5 | 0 | 0 | 0 | 110.5 | E54 G55 K60 S61 K62 | E54-I58 HydrophobicContact CG-CD1 4.23Å; E54-I58 VanDerWaalsContact O-CG1 3.3Å; E54-I58 WeakPolarHBondContact O-CG1 3.49Å; E54-I58 PolarHBondContact O-N 3.48Å; G55-I58 PolarHBondContact O-N 3.42Å; I58-K60 PolarHBondContact O-N 2.97Å; I58-S61 PolarHBondContact O-N 3.39Å; I58-K62 HydrophobicContact CG2-CD 4.41Å; I58-K62 WeakPolarHBondContact O-CB 3.45Å; I58-K62 WeakPolarHBondContact O-CG 3.47Å; I58-K62 PolarHBondContact O-N 2.04Å |
| 59 | M | 75.1 | Confident | 75.1 | Confident | 125 Ų | 125 | 106.2 Ų | 106.2 | 62% | 0.616 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62 | -42.7 | 175.7 | -80.8 | -169.6 | -81.2 | 0 | 0 | 111.9 | G55 L56 K62 L63 | G55-M59 WeakPolarHBondContact O-CB 3.3Å; G55-M59 WeakPolarHBondContact O-CG 3.45Å; G55-M59 PolarHBondContact O-N 2.96Å; L56-M59 PolarHBondContact O-N 3.39Å; M59-K62 PolarHBondContact O-N 3.05Å; M59-L63 WeakPolarHBondContact O-CB 3.27Å; M59-L63 PolarHBondContact O-N 3.32Å |
| 60 | K | 78.2 | Confident | 74.5 | Confident | 157 Ų | 157 | 105 Ų | 105 | 68% | 0.683 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.8 | -38 | 176.9 | -164.4 | 174.9 | -177 | 179.1 | 0 | 112.1 | L56 R57 I58 L63 A64 | L56-K60 VanDerWaalsContact O-CB 3.32Å; L56-K60 WeakPolarHBondContact O-CB 3.43Å; L56-K60 PolarHBondContact O-N 3.32Å; R57-K60 PolarHBondContact O-N 2.84Å; I58-K60 PolarHBondContact O-N 2.97Å; K60-L63 PolarHBondContact O-N 3Å; K60-A64 WeakPolarHBondContact O-CB 3.45Å; K60-A64 PolarHBondContact O-N 3.11Å |
| 61 | S | 81.6 | Confident | 73.8 | Confident | 81 Ų | 81 | 104 Ų | 104 | 57% | 0.566 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.3 | -43.7 | 173.8 | 175.7 | 0 | 0 | 0 | 0 | 112.2 | R57 I58 L63 A64 S65 | R57-S61 WeakPolarHBondContact O-CB 3.35Å; R57-S61 PolarHBondContact O-N 2.9Å; I58-S61 PolarHBondContact O-N 3.39Å; S61-L63 VanDerWaalsContact C-N 3.34Å; S61-L63 PolarHBondContact O-N 3.08Å; S61-A64 PolarHBondContact O-N 3.26Å; S61-S65 WeakPolarHBondContact O-CB 3.03Å; S61-S65 PolarHBondContact O-N 3.4Å |
| 62 | K | 81.8 | Confident | 72.9 | Confident | 141 Ų | 141 | 103.5 Ų | 103.5 | 61% | 0.613 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.4 | -38.7 | 173.4 | -77.5 | -174.8 | 176.9 | -174.6 | 0 | 112 | I58 M59 S65 L66 | I58-K62 HydrophobicContact CG2-CD 4.41Å; I58-K62 WeakPolarHBondContact O-CB 3.45Å; I58-K62 WeakPolarHBondContact O-CG 3.47Å; I58-K62 PolarHBondContact O-N 2.04Å; M59-K62 PolarHBondContact O-N 3.05Å; K62-S65 PolarHBondContact O-N 2.88Å; K62-L66 WeakPolarHBondContact O-CB 3.4Å; K62-L66 WeakPolarHBondContact O-CG 3.1Å; K62-L66 PolarHBondContact O-N 3.14Å |
| 63 | L | 73.7 | Confident | 71.4 | Confident | 101 Ų | 101 | 102.6 Ų | 102.6 | 53% | 0.529 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.2 | -43.3 | 175.6 | -170 | 72.3 | 0 | 0 | 0 | 111.4 | M59 K60 S61 S65 L66 Q67 | M59-L63 WeakPolarHBondContact O-CB 3.27Å; M59-L63 PolarHBondContact O-N 3.32Å; K60-L63 PolarHBondContact O-N 3Å; S61-L63 VanDerWaalsContact C-N 3.34Å; S61-L63 PolarHBondContact O-N 3.08Å; L63-S65 VanDerWaalsContact C-N 3.34Å; L63-L66 PolarHBondContact O-N 2.84Å; L63-Q67 WeakPolarHBondContact O-CB 3.31Å; L63-Q67 WeakPolarHBondContact O-CG 3.47Å; L63-Q67 PolarHBondContact O-N 3.44Å |
| 64 | A | 74.7 | Confident | 69.8 | Low | 43 Ų | 43 | 103.9 Ų | 103.9 | 36% | 0.355 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.1 | -37.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | K60 S61 Q67 N68 | K60-A64 WeakPolarHBondContact O-CB 3.45Å; K60-A64 PolarHBondContact O-N 3.11Å; S61-A64 PolarHBondContact O-N 3.26Å; A64-Q67 PolarHBondContact O-N 2.85Å; A64-N68 WeakPolarHBondContact O-CB 3.34Å; A64-N68 PolarHBondContact O-N 3.32Å; A64-N68 PolarHBondContact O-ND2 2.95Å |
| 65 | S | 73.3 | Confident | 68.4 | Low | 69 Ų | 69 | 108 Ų | 108 | 48% | 0.483 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.3 | -44.7 | 172.8 | -175.9 | 0 | 0 | 0 | 0 | 111.6 | S61 K62 L63 N68 S69 | S61-S65 WeakPolarHBondContact O-CB 3.03Å; S61-S65 PolarHBondContact O-N 3.4Å; K62-S65 PolarHBondContact O-N 2.88Å; L63-S65 VanDerWaalsContact C-N 3.34Å; S65-N68 PolarHBondContact O-N 3.33Å; S65-S69 WeakPolarHBondContact O-CB 3.38Å; S65-S69 PolarHBondContact O-N 2.89Å; S65-S69 PolarHBondContact O-OG 3.46Å |
| 66 | L | 71 | Confident | 66.6 | Low | 109 Ų | 109 | 110.8 Ų | 110.8 | 57% | 0.571 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.5 | -43.1 | 176.1 | -83.8 | 160.3 | 0 | 0 | 0 | 111.5 | K62 L63 N68 S69 V70 | K62-L66 WeakPolarHBondContact O-CB 3.4Å; K62-L66 WeakPolarHBondContact O-CG 3.1Å; K62-L66 PolarHBondContact O-N 3.14Å; L63-L66 PolarHBondContact O-N 2.84Å; L66-N68 VanDerWaalsContact C-N 3.33Å; L66-N68 PolarHBondContact O-N 3.36Å; L66-S69 PolarHBondContact O-N 3.37Å; L66-V70 VanDerWaalsContact O-CG2 3.29Å; L66-V70 WeakPolarHBondContact O-CG2 3.5Å; L66-V70 PolarHBondContact O-N 2.93Å |
| 67 | Q | 70.1 | Confident | 65 | Low | 119 Ų | 119 | 112.5 Ų | 112.5 | 56% | 0.556 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -59.8 | -44.3 | 174.2 | -79 | 177.8 | -43.7 | 0 | 0 | 111 | L63 A64 S69 V70 S71 | L63-Q67 WeakPolarHBondContact O-CB 3.31Å; L63-Q67 WeakPolarHBondContact O-CG 3.47Å; L63-Q67 PolarHBondContact O-N 3.44Å; A64-Q67 PolarHBondContact O-N 2.85Å; Q67-S69 VanDerWaalsContact C-N 3.33Å; Q67-S69 PolarHBondContact O-N 2.89Å; Q67-V70 PolarHBondContact O-N 3.47Å; Q67-S71 WeakPolarHBondContact O-CB 3.32Å; Q67-S71 PolarHBondContact O-N 3.08Å; Q67-S71 PolarHBondContact O-OG 3.46Å |
| 68 | N | 66.2 | Low | 63.5 | Low | 104 Ų | 104 | 112.3 Ų | 112.3 | 56% | 0.556 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -68 | -29.9 | 176 | -77.3 | -23.2 | 0 | 0 | 0 | 113.6 | A64 S65 L66 K72 | A64-N68 WeakPolarHBondContact O-CB 3.34Å; A64-N68 PolarHBondContact O-N 3.32Å; A64-N68 PolarHBondContact O-ND2 2.95Å; S65-N68 PolarHBondContact O-N 3.33Å; L66-N68 VanDerWaalsContact C-N 3.33Å; L66-N68 PolarHBondContact O-N 3.36Å; N68-K72 WeakPolarHBondContact O-CB 3.04Å; N68-K72 WeakPolarHBondContact O-CG 3.48Å; N68-K72 PolarHBondContact O-N 3.49Å |
| 69 | S | 65.8 | Low | 62 | Low | 74 Ų | 74 | 112.9 Ų | 112.9 | 52% | 0.517 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -71.8 | -36.3 | 172.2 | -63 | 0 | 0 | 0 | 0 | 112.2 | S65 L66 Q67 K72 | S65-S69 WeakPolarHBondContact O-CB 3.38Å; S65-S69 PolarHBondContact O-N 2.89Å; S65-S69 PolarHBondContact O-OG 3.46Å; L66-S69 PolarHBondContact O-N 3.37Å; Q67-S69 VanDerWaalsContact C-N 3.33Å; Q67-S69 PolarHBondContact O-N 2.89Å; S69-K72 PolarHBondContact O-N 3.35Å |
| 70 | V | 61.8 | Low | 60.8 | Low | 104 Ų | 104 | 110.6 Ų | 110.6 | 63% | 0.63 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -68.8 | -36.1 | 173.5 | 172 | 0 | 0 | 0 | 0 | 110.8 | L66 Q67 K72 | L66-V70 VanDerWaalsContact O-CG2 3.29Å; L66-V70 WeakPolarHBondContact O-CG2 3.5Å; L66-V70 PolarHBondContact O-N 2.93Å; Q67-V70 PolarHBondContact O-N 3.47Å; V70-K72 VanDerWaalsContact C-N 3.31Å; V70-K72 PolarHBondContact O-N 2.68Å |
| 71 | S | 58.6 | Low | 59.8 | Low | 93 Ų | 93 | 107.2 Ų | 107.2 | 65% | 0.65 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -10.5 | 177 | -53.9 | 0 | 0 | 0 | 0 | 114.8 | Q67 | Q67-S71 WeakPolarHBondContact O-CB 3.32Å; Q67-S71 PolarHBondContact O-N 3.08Å; Q67-S71 PolarHBondContact O-OG 3.46Å |
| 72 | K | 52.5 | Low | 58.9 | Low | 181 Ų | 181 | 107.8 Ų | 107.8 | 79% | 0.787 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.7 | 6.3 | -179.2 | -82.7 | -172.1 | 176.5 | -174.2 | 0 | 114.3 | N68 S69 V70 | N68-K72 WeakPolarHBondContact O-CB 3.04Å; N68-K72 WeakPolarHBondContact O-CG 3.48Å; N68-K72 PolarHBondContact O-N 3.49Å; S69-K72 PolarHBondContact O-N 3.35Å; V70-K72 VanDerWaalsContact C-N 3.31Å; V70-K72 PolarHBondContact O-N 2.68Å |
| 73 | L | 41.7 | Very low | 58.5 | Low | 126 Ų | 126 | 104.1 Ų | 104.1 | 66% | 0.66 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -61.3 | 130 | 163.1 | -87.3 | 147.8 | 0 | 0 | 0 | 108.3 | Q75 | L73-Q75 PolarHBondContact O-N 2.78Š|
| 74 | P | 43 | Very low | 59 | Low | 105 Ų | 105 | 102.5 Ų | 102.5 | 68% | 0.682 | 61% | 0.609 | S | S | * | * | trans | -54.8 | 137.5 | 171.2 | -16.8 | 28.3 | 0 | 0 | 0 | 108.4 | A76 | P74-A76 PolarHBondContact O-N 3.35Š| ||
| 75 | Q | 49.2 | Very low | 59.6 | Low | 166 Ų | 166 | 100.5 Ų | 100.5 | 78% | 0.776 | 59% | 0.593 | S | S | * | * | trans | -64.1 | 76.7 | 162 | -76.2 | 178.8 | -45.1 | 0 | 0 | 108.5 | L73 | L73-Q75 PolarHBondContact O-N 2.78Š| ||
| 76 | A | 42 | Very low | 60.4 | Low | 84 Ų | 84 | 101.3 Ų | 101.3 | 69% | 0.694 | 60% | 0.596 | S | S | * | * | trans | -107.1 | 113.4 | 159.9 | 0 | 0 | 0 | 0 | 0 | 105.9 | P74 | P74-A76 PolarHBondContact O-N 3.35Š| ||
| 77 | D | 41.8 | Very low | 61.2 | Low | 128 Ų | 128 | 99.9 Ų | 99.9 | 68% | 0.684 | 60% | 0.595 | S | S | * | * | trans | 69.9 | 73.9 | -179 | -89.9 | -34.1 | 0 | 0 | 0 | 118.6 | S79 | D77-S79 PolarHBondContact OD1-OG 2.81Š| ||
| 78 | Q | 50.7 | Low | 62.1 | Low | 165 Ų | 165 | 95.6 Ų | 95.6 | 77% | 0.771 | 58% | 0.576 | S | S | * | * | trans | -90.2 | 38.7 | 145.5 | -72.3 | -175.9 | 4.3 | 0 | 0 | 111.4 | ||||
| 79 | S | 49.4 | Very low | 63.2 | Low | 95 Ų | 95 | 97.1 Ų | 97.1 | 66% | 0.664 | 58% | 0.584 | S | S | * | * | trans | -139.2 | 52.9 | 174.9 | 39.6 | 0 | 0 | 0 | 0 | 111.9 | D77 | D77-S79 PolarHBondContact OD1-OG 2.81Š| ||
| 80 | A | 50.6 | Low | 64.3 | Low | 78 Ų | 78 | 96.1 Ų | 96.1 | 65% | 0.645 | 58% | 0.581 | S | S | * | * | trans | -146.9 | 88.6 | 152 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 81 | A | 57.5 | Low | 65.7 | Low | 86 Ų | 86 | 92.1 Ų | 92.1 | 71% | 0.711 | 56% | 0.557 | S | S | * | * | trans | -48.7 | 131.5 | 151.3 | 0 | 0 | 0 | 0 | 0 | 106.1 | T83 | A81-T83 PolarHBondContact O-N 3.13Š| ||
| 82 | P | 62.3 | Low | 67.2 | Low | 92 Ų | 92 | 91.2 Ų | 91.2 | 60% | 0.597 | 56% | 0.555 | S | S | * | * | trans | -51.5 | 122 | 179.9 | 21.6 | -32 | 0 | 0 | 0 | 106.9 | T84 | P82-T84 WeakPolarHBondContact O-CG2 3.3Å; P82-T84 PolarHBondContact O-N 2.95Å | ||
| 83 | T | 73.6 | Confident | 68.8 | Low | 65 Ų | 65 | 87.8 Ų | 87.8 | 40% | 0.399 | 54% | 0.542 | S | S | . | . | trans | -59 | 106.2 | -173.4 | -49.4 | 0 | 0 | 0 | 0 | 108.3 | A81 V103 E127 G129 | A81-T83 PolarHBondContact O-N 3.13Å; T83-V103 VanDerWaalsContact O-CG2 3.26Å; T83-V103 WeakPolarHBondContact O-CG2 3.32Å; T83-E127 WeakPolarHBondContact CG2-O 3.25Å; T83-G129 VanDerWaalsContact CG2-CA 3.42Å; T83-G129 VanDerWaalsContact CG2-N 3.35Å | ||
| 84 | T | 84.1 | Confident | 70.9 | Confident | 66 Ų | 66 | 82.5 Ų | 82.5 | 41% | 0.405 | 52% | 0.518 | S | S | . | . | B | Isolated β-bridge | trans | -105.8 | 131.9 | -179.2 | 47 | 0 | 0 | 0 | 0 | 109 | P82 H101 F102 | P82-T84 WeakPolarHBondContact O-CG2 3.3Å; P82-T84 PolarHBondContact O-N 2.95Å; T84-H101 CarbonylContact C-O 3.52Å; T84-H101 WeakPolarHBondContact CA-O 3.47Å; T84-F102 HydrophobicContact CG2-CD1 3.52Å; T84-F102 HydrophobicContact CG2-CE1 3.7Å; T84-F102 HydrophobicContact CG2-CG 4.42Å |
| 85 | C | 86.7 | Confident | 73 | Confident | 2 Ų | 2 | 80 Ų | 80 | 1% | 0.014 | 50% | 0.501 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 153.5 | 170.7 | -61.8 | 0 | 0 | 0 | 0 | 110.4 | H101 C125 W131 | C85-H101 PolarHBondContact N-O 3.13Å; C85-H101 WeakPolarHBondContact O-CB 3.36Å; C85-H101 PolarHBondContact O-ND1 3.36Å; C85-C125 HydrophobicContact CB-CB 3.88Å; C85-C125 WeakPolarHBondContact CB-SG 3.37Å; C85-C125 PolarHBondContact N-SG 2.03Å; C85-C125 WeakPolarHBondContact SG-CA 3.46Å; C85-C125 WeakPolarHBondContact SG-CB 3.09Å; C85-C125 CovalentContact SG-SG 2.03Å; C85-C125 PolarHBondContact SG-SG 3.22Å; C85-W131 HydrophobicContact CB-CD2 4.1Å; C85-W131 HydrophobicContact CB-CG 4.25Å; C85-W131 HydrophobicContact CB-CZ2 3.94Å; C85-W131 VanDerWaalsContact CB-NE1 3.35Å |
| 86 | P | 89.8 | Confident | 75 | Confident | 85 Ų | 85 | 75.1 Ų | 75.1 | 55% | 0.552 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 147.6 | 174.5 | 24.1 | -33.1 | 0 | 0 | 0 | 110.9 | L88 W131 | P86-L88 PolarHBondContact O-N 2.86Å; P86-W131 PolarHBondContact O-NE1 2.9Å |
| 87 | S | 87.7 | Confident | 77 | Confident | 79 Ų | 79 | 71.8 Ų | 71.8 | 55% | 0.552 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -62.9 | 133.1 | 174 | -178.2 | 0 | 0 | 0 | 0 | 109.9 | ||
| 88 | L | 89.7 | Confident | 78.8 | Confident | 29 Ų | 29 | 67.1 Ų | 67.1 | 15% | 0.152 | 43% | 0.429 | C | S | . | . | P | Polyproline II helix | trans | -96 | 139.5 | 173.3 | -61.8 | 178.4 | 0 | 0 | 0 | 109.8 | P86 K96 F109 W131 | P86-L88 PolarHBondContact O-N 2.86Å; L88-K96 HydrophobicContact CB-CD 4.47Å; L88-K96 WeakPolarHBondContact O-CD 3.43Å; L88-K96 WeakPolarHBondContact O-CE 3.46Å; L88-K96 PolarHBondContact O-NZ 3.08Å; L88-F109 HydrophobicContact CB-CZ 4.07Å; L88-F109 HydrophobicContact CD1-CE2 4.17Å; L88-F109 HydrophobicContact CD1-CZ 3.76Å; L88-W131 HydrophobicContact CD1-CD2 3.68Å; L88-W131 HydrophobicContact CD1-CE3 4.27Å; L88-W131 HydrophobicContact CD1-CG 3.78Å; L88-W131 HydrophobicContact CD1-CZ2 4.3Å; L88-W131 HydrophobicContact CD2-CG 4.35Å; L88-W131 HydrophobicContact CG-CD2 4.27Å; L88-W131 HydrophobicContact CG-CG 4.24Å; L88-W131 HydrophobicContact CG-CZ2 4.39Å |
| 89 | D | 89.8 | Confident | 80 | Confident | 136 Ų | 136 | 64.2 Ų | 64.2 | 73% | 0.727 | 43% | 0.427 | S | S | * | . | P | Polyproline II helix | trans | -88.4 | 160 | 172.3 | -63.9 | -47.1 | 0 | 0 | 0 | 111.6 | ||
| 90 | A | 88.1 | Confident | 81.5 | Confident | 54 Ų | 54 | 64 Ų | 64 | 45% | 0.446 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 137.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | K96 | A90-K96 HydrophobicContact CB-CB 3.81Š|
| 91 | P | 90.6 | Very high | 83.1 | Confident | 19 Ų | 19 | 63.2 Ų | 63.2 | 12% | 0.123 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 149 | 173.5 | 25.4 | -31.1 | 0 | 0 | 0 | 110.4 | H93 G94 F109 | P91-H93 PolarHBondContact O-N 2.03Å; P91-G94 CarbonylContact O-C 3.37Å; P91-G94 WeakPolarHBondContact O-CA 3.38Å; P91-G94 PolarHBondContact O-N 2.87Å; P91-F109 HydrophobicContact CG-CD1 4.19Å |
| 92 | A | 90.2 | Very high | 84.4 | Confident | 75 Ų | 75 | 63.4 Ų | 63.4 | 62% | 0.62 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 137.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | G94 C138 | A92-G94 PolarHBondContact O-N 3.34Å; A92-C138 WeakPolarHBondContact O-CB 3.41Å |
| 93 | H | 86.6 | Confident | 85.4 | Confident | 108 Ų | 108 | 61.9 Ų | 61.9 | 50% | 0.5 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 33.7 | -173.2 | -50 | -78.9 | 0 | 0 | 0 | 113.2 | P91 T112 Y115 | P91-H93 PolarHBondContact O-N 2.03Å; H93-T112 PolarHBondContact O-N 3.23Å; H93-T112 PolarHBondContact O-OG1 3.1Å; H93-Y115 HydrophobicContact CB-CD1 3.93Å; H93-Y115 HydrophobicContact CB-CD2 3.93Å; H93-Y115 HydrophobicContact CB-CE1 3.93Å; H93-Y115 HydrophobicContact CB-CE2 3.89Å; H93-Y115 HydrophobicContact CB-CG 3.95Å; H93-Y115 AromaticContact CD2-CE1 3.94Å; H93-Y115 AromaticContact CG-CE1 3.84Å; H93-Y115 AromaticContact CG-CZ 3.66Å; H93-Y115 AromaticContact ND1-CZ 3.86Å |
| 94 | G | 86.7 | Confident | 85.6 | Confident | 15 Ų | 15 | 61.1 Ų | 61.1 | 16% | 0.155 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 168.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | P91 A92 V110 | P91-G94 CarbonylContact O-C 3.37Å; P91-G94 WeakPolarHBondContact O-CA 3.38Å; P91-G94 PolarHBondContact O-N 2.87Å; A92-G94 PolarHBondContact O-N 3.34Å; G94-V110 CarbonylContact C-O 3.29Å; G94-V110 VanDerWaalsContact CA-O 3.29Å; G94-V110 WeakPolarHBondContact CA-O 3.35Å |
| 95 | T | 86.9 | Confident | 85.5 | Confident | 53 Ų | 53 | 61.2 Ų | 61.2 | 33% | 0.325 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 139.9 | -176.5 | 55.3 | 0 | 0 | 0 | 0 | 109.2 | F97 F109 V110 | T95-F97 VanDerWaalsContact OG1-CE2 3.26Å; T95-F97 WeakPolarHBondContact OG1-CE2 3.04Å; T95-F109 WeakPolarHBondContact O-CA 3.26Å; T95-V110 PolarHBondContact N-O 3.2Å; T95-V110 PolarHBondContact O-N 3.05Å; T95-V110 PolarHBondContact OG1-O 3.26Å; T95-V110 VanDerWaalsContact OG1-O 3.13Å |
| 96 | K | 89.8 | Confident | 85.3 | Confident | 63 Ų | 63 | 65.5 Ų | 65.5 | 27% | 0.274 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 125.1 | 176.7 | -179 | -168 | 72.5 | 172.9 | 0 | 109.5 | L88 A90 V107 F109 | L88-K96 HydrophobicContact CB-CD 4.47Å; L88-K96 WeakPolarHBondContact O-CD 3.43Å; L88-K96 WeakPolarHBondContact O-CE 3.46Å; L88-K96 PolarHBondContact O-NZ 3.08Å; A90-K96 HydrophobicContact CB-CB 3.81Å; K96-V107 HydrophobicContact CD-CG1 3.84Å; K96-V107 HydrophobicContact CG-CG1 3.47Å; K96-V107 VanDerWaalsContact CG-CG1 3.47Å; K96-F109 HydrophobicContact CB-CD1 4.07Å; K96-F109 HydrophobicContact CB-CE1 3.94Å; K96-F109 HydrophobicContact CD-CE1 4.02Å; K96-F109 HydrophobicContact CD-CZ 4.43Å; K96-F109 HydrophobicContact CG-CD1 4.08Å; K96-F109 HydrophobicContact CG-CE1 3.58Å; K96-F109 HydrophobicContact CG-CZ 4.18Å |
| 97 | F | 85.8 | Confident | 85.2 | Confident | 14 Ų | 14 | 61.7 Ų | 61.7 | 6% | 0.061 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 128.2 | 173.6 | -59.3 | -88.7 | 0 | 0 | 0 | 110 | T95 V107 H108 V110 P355 V389 Q391 I401 V403 | T95-F97 VanDerWaalsContact OG1-CE2 3.26Å; T95-F97 WeakPolarHBondContact OG1-CE2 3.04Å; F97-V107 CarbonylContact O-C 3.59Å; F97-V107 WeakPolarHBondContact O-CA 3.07Å; F97-V107 WeakPolarHBondContact O-CG1 3.34Å; F97-H108 HydrophobicContact CB-CB 4.28Å; F97-H108 PolarHBondContact N-O 3.21Å; F97-H108 PolarHBondContact O-N 3.16Å; F97-V110 HydrophobicContact CD2-CG2 3.97Å; F97-V110 HydrophobicContact CE2-CB 3.93Å; F97-V110 HydrophobicContact CE2-CG2 3.58Å; F97-P355 HydrophobicContact CZ-CB 3.93Å; F97-P355 HydrophobicContact CZ-CG 4.21Å; F97-V389 HydrophobicContact CB-CG1 4.03Å; F97-V389 HydrophobicContact CB-CG2 4.35Å; F97-Q391 VanDerWaalsContact CD1-OE1 3.26Å; F97-I401 HydrophobicContact CD1-CD1 4.35Å; F97-I401 HydrophobicContact CE1-CD1 3.98Å; F97-I401 HydrophobicContact CE1-CG2 4.21Å; F97-V403 HydrophobicContact CD1-CG1 4.42Å; F97-V403 HydrophobicContact CD2-CG1 4.03Å; F97-V403 HydrophobicContact CE1-CG1 4.34Å; F97-V403 HydrophobicContact CE2-CG1 3.93Å; F97-V403 HydrophobicContact CG-CG1 4.29Å; F97-V403 HydrophobicContact CZ-CG1 4.1Å |
| 98 | G | 78.8 | Confident | 85 | Confident | 30 Ų | 30 | 58.6 Ų | 58.6 | 31% | 0.309 | 34% | 0.343 | S | S | . | . | trans | 104.9 | 121.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 99 | S | 76.6 | Confident | 85 | Confident | 104 Ų | 104 | 57.9 Ų | 57.9 | 73% | 0.727 | 34% | 0.339 | S | S | * | . | trans | -106.6 | -11.8 | 179.8 | 55.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 100 | K | 79.7 | Confident | 84.8 | Confident | 90 Ų | 90 | 52.3 Ų | 52.3 | 39% | 0.391 | 31% | 0.31 | S | S | . | . | trans | -90.1 | 144 | -176.9 | -62.4 | -179.8 | -174.6 | 168.8 | 0 | 110.6 | F102 H105 | K100-F102 HydrophobicContact CB-CD2 4.29Å; K100-H105 HydrophobicContact CB-CB 4.27Å | ||
| 101 | H | 84.8 | Confident | 84.8 | Confident | 63 Ų | 63 | 50.6 Ų | 50.6 | 29% | 0.292 | 29% | 0.294 | S | S | . | . | trans | -135.4 | 35.4 | -175.5 | 51.1 | 78.9 | 0 | 0 | 0 | 111.7 | T84 C85 W131 | T84-H101 CarbonylContact C-O 3.52Å; T84-H101 WeakPolarHBondContact CA-O 3.47Å; C85-H101 PolarHBondContact N-O 3.13Å; C85-H101 WeakPolarHBondContact O-CB 3.36Å; C85-H101 PolarHBondContact O-ND1 3.36Å; H101-W131 HydrophobicContact CB-CH2 4.31Å; H101-W131 HydrophobicContact CB-CZ2 3.7Å | ||
| 102 | F | 84.6 | Confident | 84.5 | Confident | 90 Ų | 90 | 52.6 Ų | 52.6 | 40% | 0.395 | 31% | 0.306 | S | S | . | . | B | Isolated β-bridge | trans | -92 | 155.6 | 170.3 | -49.7 | -86.1 | 0 | 0 | 0 | 110.4 | T84 K100 G104 H105 C125 | T84-F102 HydrophobicContact CG2-CD1 3.52Å; T84-F102 HydrophobicContact CG2-CE1 3.7Å; T84-F102 HydrophobicContact CG2-CG 4.42Å; K100-F102 HydrophobicContact CB-CD2 4.29Å; F102-G104 PolarHBondContact O-N 3.43Å; F102-H105 WeakPolarHBondContact CB-ND1 3.29Å; F102-H105 AromaticContact CD2-CE1 3.63Å; F102-H105 AromaticContact CD2-ND1 3.63Å; F102-H105 WeakPolarHBondContact O-CB 3.04Å; F102-H105 PolarHBondContact O-N 3.47Å; F102-H105 PolarHBondContact O-ND1 3.3Å; F102-C125 VanDerWaalsContact C-SG 3.51Å; F102-C125 WeakPolarHBondContact O-CB 3.41Å |
| 103 | V | 83.3 | Confident | 84 | Confident | 60 Ų | 60 | 55.5 Ų | 55.5 | 36% | 0.364 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -44.1 | 131.5 | 174.9 | -175.2 | 0 | 0 | 0 | 0 | 111.6 | T83 H105 C125 E127 | T83-V103 VanDerWaalsContact O-CG2 3.26Å; T83-V103 WeakPolarHBondContact O-CG2 3.32Å; V103-H105 VanDerWaalsContact C-N 3.3Å; V103-H105 PolarHBondContact O-N 3.44Å; V103-C125 WeakPolarHBondContact CA-O 3.08Å; V103-E127 HydrophobicContact CG1-CB 4.36Å; V103-E127 HydrophobicContact CG1-CG 3.55Å |
| 104 | G | 78.3 | Confident | 83.3 | Confident | 49 Ų | 49 | 50.5 Ų | 50.5 | 51% | 0.505 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | -11.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | F102 C125 | F102-G104 PolarHBondContact O-N 3.43Å; G104-C125 PolarHBondContact N-O 3.32Å |
| 105 | H | 80.4 | Confident | 83.1 | Confident | 68 Ų | 68 | 52 Ų | 52 | 32% | 0.315 | 29% | 0.286 | S | S | . | . | trans | -76.4 | 143.7 | 172.5 | -69.7 | 119.9 | 0 | 0 | 0 | 111.7 | K100 F102 V103 V124 C125 | K100-H105 HydrophobicContact CB-CB 4.27Å; F102-H105 WeakPolarHBondContact CB-ND1 3.29Å; F102-H105 AromaticContact CD2-CE1 3.63Å; F102-H105 AromaticContact CD2-ND1 3.63Å; F102-H105 WeakPolarHBondContact O-CB 3.04Å; F102-H105 PolarHBondContact O-N 3.47Å; F102-H105 PolarHBondContact O-ND1 3.3Å; V103-H105 VanDerWaalsContact C-N 3.3Å; V103-H105 PolarHBondContact O-N 3.44Å; H105-V124 WeakPolarHBondContact O-CA 3.31Å; H105-C125 PolarHBondContact O-N 3.43Å | ||
| 106 | E | 83.8 | Confident | 82.9 | Confident | 92 Ų | 92 | 55.1 Ų | 55.1 | 43% | 0.43 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 146.1 | 178.4 | -44.3 | -165.8 | 159 | 0 | 0 | 111.1 | H108 T122 R123 V124 | E106-H108 IonicContact OE2-CE1 2.74Å; E106-H108 PolarHBondContact OE2-CE1 3.02Å; E106-H108 IonicContact OE2-NE2 3.65Å; E106-T122 HydrophobicContact CB-CG2 4.11Å; E106-R123 CarbonylContact C-O 3.56Å; E106-R123 VanDerWaalsContact CA-O 3.26Å; E106-R123 WeakPolarHBondContact CA-O 3.5Å; E106-V124 HydrophobicContact CB-CG2 4.47Å; E106-V124 HydrophobicContact CG-CG1 4.38Å; E106-V124 HydrophobicContact CG-CG2 3.87Å |
| 107 | V | 86.6 | Confident | 82.6 | Confident | 4 Ų | 4 | 54.1 Ų | 54.1 | 2% | 0.024 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 129.2 | 171.8 | 175.2 | 0 | 0 | 0 | 0 | 107.3 | K96 F97 F109 T122 R123 W131 | K96-V107 HydrophobicContact CD-CG1 3.84Å; K96-V107 HydrophobicContact CG-CG1 3.47Å; K96-V107 VanDerWaalsContact CG-CG1 3.47Å; F97-V107 CarbonylContact O-C 3.59Å; F97-V107 WeakPolarHBondContact O-CA 3.07Å; F97-V107 WeakPolarHBondContact O-CG1 3.34Å; V107-F109 HydrophobicContact CB-CE2 4.42Å; V107-F109 HydrophobicContact CG1-CE1 4.16Å; V107-F109 HydrophobicContact CG1-CE2 3.75Å; V107-F109 HydrophobicContact CG1-CZ 3.56Å; V107-T122 CarbonylContact O-C 3.56Å; V107-T122 WeakPolarHBondContact O-CA 3.47Å; V107-R123 PolarHBondContact N-O 2.87Å; V107-R123 PolarHBondContact O-N 3.36Å; V107-W131 HydrophobicContact CB-CH2 4.22Å; V107-W131 HydrophobicContact CB-CZ3 4.15Å; V107-W131 HydrophobicContact CG2-CH2 3.31Å; V107-W131 HydrophobicContact CG2-CZ2 4.08Å; V107-W131 HydrophobicContact CG2-CZ3 3.7Å |
| 108 | H | 84.5 | Confident | 82.7 | Confident | 15 Ų | 15 | 56.6 Ų | 56.6 | 7% | 0.069 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 144.7 | 179.9 | -51.5 | -86.5 | 0 | 0 | 0 | 110.4 | F97 E106 S121 T122 V389 | F97-H108 HydrophobicContact CB-CB 4.28Å; F97-H108 PolarHBondContact N-O 3.21Å; F97-H108 PolarHBondContact O-N 3.16Å; E106-H108 IonicContact OE2-CE1 2.74Å; E106-H108 PolarHBondContact OE2-CE1 3.02Å; E106-H108 IonicContact OE2-NE2 3.65Å; H108-S121 CarbonylContact C-O 3.6Å; H108-S121 VanDerWaalsContact CA-O 3.31Å; H108-S121 WeakPolarHBondContact CA-O 3.1Å; H108-T122 WeakPolarHBondContact CE1-CG2 3.35Å; H108-T122 WeakPolarHBondContact ND1-CG2 3.16Å; H108-T122 PolarHBondContact ND1-OG1 3.08Å; H108-V389 HydrophobicContact CB-CG2 4.29Å; H108-V389 VanDerWaalsContact CD2-CG2 3.46Å; H108-V389 WeakPolarHBondContact CD2-CG2 3.39Å |
| 109 | F | 88.8 | Confident | 83.1 | Confident | 13 Ų | 13 | 57.1 Ų | 57.1 | 6% | 0.057 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 134.9 | 179.3 | -62 | -81.9 | 0 | 0 | 0 | 109.1 | L88 P91 T95 K96 V107 L117 S121 R123 A136 | L88-F109 HydrophobicContact CB-CZ 4.07Å; L88-F109 HydrophobicContact CD1-CE2 4.17Å; L88-F109 HydrophobicContact CD1-CZ 3.76Å; P91-F109 HydrophobicContact CG-CD1 4.19Å; T95-F109 WeakPolarHBondContact O-CA 3.26Å; K96-F109 HydrophobicContact CB-CD1 4.07Å; K96-F109 HydrophobicContact CB-CE1 3.94Å; K96-F109 HydrophobicContact CD-CE1 4.02Å; K96-F109 HydrophobicContact CD-CZ 4.43Å; K96-F109 HydrophobicContact CG-CD1 4.08Å; K96-F109 HydrophobicContact CG-CE1 3.58Å; K96-F109 HydrophobicContact CG-CZ 4.18Å; V107-F109 HydrophobicContact CB-CE2 4.42Å; V107-F109 HydrophobicContact CG1-CE1 4.16Å; V107-F109 HydrophobicContact CG1-CE2 3.75Å; V107-F109 HydrophobicContact CG1-CZ 3.56Å; F109-L117 HydrophobicContact CB-CD1 3.73Å; F109-L117 WeakPolarHBondContact O-CD1 3.42Å; F109-S121 PolarHBondContact N-O 3.31Å; F109-R123 HydrophobicContact CE2-CB 4.45Å; F109-R123 HydrophobicContact CE2-CG 3.98Å; F109-A136 HydrophobicContact CB-CB 3.83Å; F109-A136 HydrophobicContact CD1-CB 4.44Å; F109-A136 HydrophobicContact CD2-CB 3.85Å; F109-A136 HydrophobicContact CG-CB 3.78Å |
| 110 | V | 86.9 | Confident | 83.6 | Confident | 20 Ų | 20 | 53.6 Ų | 53.6 | 12% | 0.121 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 129.7 | 176.9 | -175 | 0 | 0 | 0 | 0 | 108.2 | G94 T95 F97 V403 | G94-V110 CarbonylContact C-O 3.29Å; G94-V110 VanDerWaalsContact CA-O 3.29Å; G94-V110 WeakPolarHBondContact CA-O 3.35Å; T95-V110 PolarHBondContact N-O 3.2Å; T95-V110 PolarHBondContact O-N 3.05Å; T95-V110 PolarHBondContact OG1-O 3.26Å; T95-V110 VanDerWaalsContact OG1-O 3.13Å; F97-V110 HydrophobicContact CD2-CG2 3.97Å; F97-V110 HydrophobicContact CE2-CB 3.93Å; F97-V110 HydrophobicContact CE2-CG2 3.58Å; V110-V403 HydrophobicContact CG2-CB 3.79Å; V110-V403 HydrophobicContact CG2-CG1 4.15Å |
| 111 | C | 87.1 | Confident | 83.7 | Confident | 17 Ų | 17 | 52.2 Ų | 52.2 | 12% | 0.115 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 152.8 | 176.9 | -60.6 | 0 | 0 | 0 | 0 | 111.3 | Y115 L117 C138 | C111-Y115 VanDerWaalsContact CB-O 3.31Å; C111-Y115 WeakPolarHBondContact CB-O 3.12Å; C111-L117 VanDerWaalsContact SG-CA 3.58Å; C111-C138 WeakPolarHBondContact CA-SG 3.48Å; C111-C138 HydrophobicContact CB-CB 3.77Å; C111-C138 WeakPolarHBondContact CB-SG 3.35Å; C111-C138 WeakPolarHBondContact SG-CA 3.44Å; C111-C138 WeakPolarHBondContact SG-CB 3.39Å; C111-C138 CovalentContact SG-SG 2.03Å; C111-C138 PolarHBondContact SG-SG 3.39Å |
| 112 | T | 84.6 | Confident | 83.8 | Confident | 61 Ų | 61 | 51 Ų | 51 | 37% | 0.374 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 159.7 | 169.6 | 53.5 | 0 | 0 | 0 | 0 | 110.2 | H93 G114 Y115 | H93-T112 PolarHBondContact O-N 3.23Å; H93-T112 PolarHBondContact O-OG1 3.1Å; T112-G114 PolarHBondContact O-N 3.01Å; T112-Y115 PolarHBondContact O-N 3.33Å; T112-Y115 VanDerWaalsContact O-N 3.17Å |
| 113 | Q | 79.2 | Confident | 84 | Confident | 136 Ų | 136 | 48.2 Ų | 48.2 | 64% | 0.636 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | 135.5 | 177.2 | -171.4 | 171.9 | 9.3 | 0 | 0 | 111 | N160 | Q113-N160 HydrophobicContact CG-CB 4.48Š|
| 114 | G | 72.2 | Confident | 84.2 | Confident | 3 Ų | 3 | 47.3 Ų | 47.3 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 94.3 | -8.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | T112 I141 N160 | T112-G114 PolarHBondContact O-N 3.01Å; G114-I141 PolarHBondContact O-N 3.19Å; G114-N160 WeakPolarHBondContact CA-OD1 3.37Å; G114-N160 PolarHBondContact N-OD1 2.97Å |
| 115 | Y | 82 | Confident | 84.7 | Confident | 48 Ų | 48 | 45 Ų | 45 | 19% | 0.188 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 133.9 | -177.7 | -65.2 | -98.9 | 0 | 0 | 0 | 111 | H93 C111 T112 K139 D140 | H93-Y115 HydrophobicContact CB-CD1 3.93Å; H93-Y115 HydrophobicContact CB-CD2 3.93Å; H93-Y115 HydrophobicContact CB-CE1 3.93Å; H93-Y115 HydrophobicContact CB-CE2 3.89Å; H93-Y115 HydrophobicContact CB-CG 3.95Å; H93-Y115 AromaticContact CD2-CE1 3.94Å; H93-Y115 AromaticContact CG-CE1 3.84Å; H93-Y115 AromaticContact CG-CZ 3.66Å; H93-Y115 AromaticContact ND1-CZ 3.86Å; C111-Y115 VanDerWaalsContact CB-O 3.31Å; C111-Y115 WeakPolarHBondContact CB-O 3.12Å; T112-Y115 PolarHBondContact O-N 3.33Å; T112-Y115 VanDerWaalsContact O-N 3.17Å; Y115-K139 CarbonylContact C-O 3.22Å; Y115-K139 VanDerWaalsContact CA-O 3.28Å; Y115-K139 WeakPolarHBondContact CA-O 3.46Å; Y115-D140 HydrophobicContact CD1-CB 4.22Å; Y115-D140 HydrophobicContact CE1-CB 3.97Å |
| 116 | Q | 82.5 | Confident | 85.1 | Confident | 118 Ų | 118 | 48.4 Ų | 48.4 | 55% | 0.551 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 135.7 | 173.6 | 178.7 | 175.1 | 20.1 | 0 | 0 | 110.5 | V118 K139 I141 | Q116-V118 PolarHBondContact O-N 2.86Å; Q116-K139 PolarHBondContact N-O 3.02Å; Q116-K139 PolarHBondContact O-N 2.71Å; Q116-I141 HydrophobicContact CB-CD1 3.79Å; Q116-I141 HydrophobicContact CB-CG1 3.52Å |
| 117 | L | 85 | Confident | 85.3 | Confident | 42 Ų | 42 | 51.7 Ų | 51.7 | 22% | 0.22 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 115.4 | 174.9 | -168.4 | 141.8 | 0 | 0 | 0 | 110.3 | F109 C111 G119 A136 | F109-L117 HydrophobicContact CB-CD1 3.73Å; F109-L117 WeakPolarHBondContact O-CD1 3.42Å; C111-L117 VanDerWaalsContact SG-CA 3.58Å; L117-G119 WeakPolarHBondContact CD2-O 3.05Å; L117-A136 HydrophobicContact CD1-CB 4.17Å; L117-A136 HydrophobicContact CD2-CB 4.29Å; L117-A136 HydrophobicContact CG-CB 4.24Å |
| 118 | V | 86.8 | Confident | 85.3 | Confident | 66 Ų | 66 | 56.4 Ų | 56.4 | 40% | 0.4 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 117.1 | 171.7 | -178.9 | 0 | 0 | 0 | 0 | 108.4 | Q116 V137 K139 | Q116-V118 PolarHBondContact O-N 2.86Å; V118-V137 PolarHBondContact N-O 2.83Å; V118-V137 PolarHBondContact O-N 2.85Å; V118-K139 HydrophobicContact CG2-CB 4.22Å; V118-K139 HydrophobicContact CG2-CD 4.04Å; V118-K139 HydrophobicContact CG2-CG 4.06Å |
| 119 | G | 88.3 | Confident | 85.3 | Confident | 40 Ų | 40 | 56.3 Ų | 56.3 | 41% | 0.412 | 30% | 0.301 | S | S | . | . | S | Bend | trans | 120.7 | -158.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L117 | L117-G119 WeakPolarHBondContact CD2-O 3.05Š|
| 120 | S | 86.6 | Confident | 85.3 | Confident | 30 Ų | 30 | 59.1 Ų | 59.1 | 21% | 0.21 | 32% | 0.319 | C | S | . | . | trans | -89.1 | 116.5 | -178.4 | -61.8 | 0 | 0 | 0 | 0 | 111.4 | T122 G133 V134 | S120-T122 PolarHBondContact O-N 2.84Å; S120-G133 VanDerWaalsContact OG-CA 3.23Å; S120-G133 WeakPolarHBondContact OG-CA 3.46Å; S120-V134 WeakPolarHBondContact CB-O 2.83Å; S120-V134 PolarHBondContact N-O 3.09Å; S120-V134 VanDerWaalsContact N-O 3.08Å; S120-V134 PolarHBondContact OG-N 2.68Å | ||
| 121 | S | 82.4 | Confident | 85.5 | Confident | 62 Ų | 62 | 59.1 Ų | 59.1 | 43% | 0.434 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -64.4 | -23.2 | 176.2 | 59 | 0 | 0 | 0 | 0 | 113.1 | H108 F109 | H108-S121 CarbonylContact C-O 3.6Å; H108-S121 VanDerWaalsContact CA-O 3.31Å; H108-S121 WeakPolarHBondContact CA-O 3.1Å; F109-S121 PolarHBondContact N-O 3.31Å |
| 122 | T | 86.5 | Confident | 85.7 | Confident | 36 Ų | 36 | 59.2 Ų | 59.2 | 22% | 0.221 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 132.7 | 175.3 | -55.9 | 0 | 0 | 0 | 0 | 109.3 | E106 V107 H108 S120 | E106-T122 HydrophobicContact CB-CG2 4.11Å; V107-T122 CarbonylContact O-C 3.56Å; V107-T122 WeakPolarHBondContact O-CA 3.47Å; H108-T122 WeakPolarHBondContact CE1-CG2 3.35Å; H108-T122 WeakPolarHBondContact ND1-CG2 3.16Å; H108-T122 PolarHBondContact ND1-OG1 3.08Å; S120-T122 PolarHBondContact O-N 2.84Å |
| 123 | R | 87.5 | Confident | 85.9 | Confident | 33 Ų | 33 | 58.4 Ų | 58.4 | 13% | 0.125 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 136.5 | 176.1 | -59.9 | -172.9 | 73.2 | -172.9 | 8.2 | 109.6 | E106 V107 F109 W131 S132 | E106-R123 CarbonylContact C-O 3.56Å; E106-R123 VanDerWaalsContact CA-O 3.26Å; E106-R123 WeakPolarHBondContact CA-O 3.5Å; V107-R123 PolarHBondContact N-O 2.87Å; V107-R123 PolarHBondContact O-N 3.36Å; F109-R123 HydrophobicContact CE2-CB 4.45Å; F109-R123 HydrophobicContact CE2-CG 3.98Å; R123-W131 HydrophobicContact CB-CE3 3.82Å; R123-W131 VanDerWaalsContact CZ-CB 3.41Å; R123-W131 WeakPolarHBondContact O-CZ3 3.5Å; R123-S132 WeakPolarHBondContact CG-O 3.41Å; R123-S132 PolarHBondContact NE-O 2.93Å |
| 124 | V | 88.5 | Confident | 86.4 | Confident | 40 Ų | 40 | 56.4 Ų | 56.4 | 24% | 0.242 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 130.6 | -178.1 | -170.9 | 0 | 0 | 0 | 0 | 108.8 | H105 E106 R126 S132 | H105-V124 WeakPolarHBondContact O-CA 3.31Å; E106-V124 HydrophobicContact CB-CG2 4.47Å; E106-V124 HydrophobicContact CG-CG1 4.38Å; E106-V124 HydrophobicContact CG-CG2 3.87Å; V124-R126 PolarHBondContact O-N 3.33Å; V124-S132 PolarHBondContact N-OG 2.98Å; V124-S132 WeakPolarHBondContact O-CB 3.37Å; V124-S132 PolarHBondContact O-N 2.93Å; V124-S132 PolarHBondContact O-OG 3.49Å |
| 125 | C | 88.9 | Confident | 87.1 | Confident | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.014 | 34% | 0.341 | C | S | . | . | B | Isolated β-bridge | trans | -72.2 | 124.3 | 176.2 | 178.7 | 0 | 0 | 0 | 0 | 109.9 | C85 F102 V103 G104 H105 W131 | C85-C125 HydrophobicContact CB-CB 3.88Å; C85-C125 WeakPolarHBondContact CB-SG 3.37Å; C85-C125 PolarHBondContact N-SG 2.03Å; C85-C125 WeakPolarHBondContact SG-CA 3.46Å; C85-C125 WeakPolarHBondContact SG-CB 3.09Å; C85-C125 CovalentContact SG-SG 2.03Å; C85-C125 PolarHBondContact SG-SG 3.22Å; F102-C125 VanDerWaalsContact C-SG 3.51Å; F102-C125 WeakPolarHBondContact O-CB 3.41Å; V103-C125 WeakPolarHBondContact CA-O 3.08Å; G104-C125 PolarHBondContact N-O 3.32Å; H105-C125 PolarHBondContact O-N 3.43Å; C125-W131 HydrophobicContact CB-CD2 4.46Å; C125-W131 HydrophobicContact CB-CE3 4.06Å; C125-W131 HydrophobicContact CB-CH2 3.99Å; C125-W131 HydrophobicContact CB-CZ2 4.41Å; C125-W131 HydrophobicContact CB-CZ3 3.82Å |
| 126 | R | 88.6 | Confident | 87.4 | Confident | 138 Ų | 138 | 58.1 Ų | 58.1 | 52% | 0.521 | 34% | 0.338 | S | S | . | . | trans | -94.7 | 163.1 | -177.2 | -66.5 | 179.5 | 176 | -162.1 | 0.5 | 111.8 | V124 N128 G129 T130 | V124-R126 PolarHBondContact O-N 3.33Å; R126-N128 WeakPolarHBondContact CB-OD1 3.28Å; R126-N128 PolarHBondContact O-N 3.39Å; R126-N128 VanDerWaalsContact O-N 3.14Å; R126-G129 PolarHBondContact O-N 3.44Å; R126-T130 WeakPolarHBondContact CB-O 3.36Å; R126-T130 PolarHBondContact N-O 2.83Å | ||
| 127 | E | 87.2 | Confident | 87.8 | Confident | 162 Ų | 162 | 55.7 Ų | 55.7 | 76% | 0.757 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -23.1 | 178.9 | -72.7 | 175.9 | -175.5 | 0 | 0 | 113.8 | T83 V103 G129 | T83-E127 WeakPolarHBondContact CG2-O 3.25Å; V103-E127 HydrophobicContact CG1-CB 4.36Å; V103-E127 HydrophobicContact CG1-CG 3.55Å; E127-G129 VanDerWaalsContact C-N 3.27Å; E127-G129 PolarHBondContact O-N 3.07Å |
| 128 | N | 87 | Confident | 88 | Confident | 102 Ų | 102 | 54.3 Ų | 54.3 | 55% | 0.545 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 3 | 175.8 | 70 | -11.6 | 0 | 0 | 0 | 113.8 | R126 T130 | R126-N128 WeakPolarHBondContact CB-OD1 3.28Å; R126-N128 PolarHBondContact O-N 3.39Å; R126-N128 VanDerWaalsContact O-N 3.14Å; N128-T130 VanDerWaalsContact C-N 3.31Å; N128-T130 PolarHBondContact ND2-OG1 2.04Å; N128-T130 PolarHBondContact O-N 3.11Å; N128-T130 PolarHBondContact OD1-N 3.11Å; N128-T130 PolarHBondContact OD1-OG1 3.42Å |
| 129 | G | 84.4 | Confident | 87.8 | Confident | 14 Ų | 14 | 57 Ų | 57 | 14% | 0.144 | 33% | 0.331 | C | S | . | . | S | Bend | trans | 77.6 | 10.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | T83 R126 E127 | T83-G129 VanDerWaalsContact CG2-CA 3.42Å; T83-G129 VanDerWaalsContact CG2-N 3.35Å; R126-G129 PolarHBondContact O-N 3.44Å; E127-G129 VanDerWaalsContact C-N 3.27Å; E127-G129 PolarHBondContact O-N 3.07Å |
| 130 | T | 90.2 | Very high | 87.3 | Confident | 72 Ų | 72 | 58.8 Ų | 58.8 | 44% | 0.442 | 33% | 0.331 | S | S | . | . | trans | -108.7 | 151.2 | 174.2 | 72.9 | 0 | 0 | 0 | 0 | 112 | R126 N128 | R126-T130 WeakPolarHBondContact CB-O 3.36Å; R126-T130 PolarHBondContact N-O 2.83Å; N128-T130 VanDerWaalsContact C-N 3.31Å; N128-T130 PolarHBondContact ND2-OG1 2.04Å; N128-T130 PolarHBondContact O-N 3.11Å; N128-T130 PolarHBondContact OD1-N 3.11Å; N128-T130 PolarHBondContact OD1-OG1 3.42Å | ||
| 131 | W | 90.5 | Very high | 86.7 | Confident | 19 Ų | 19 | 60 Ų | 60 | 7% | 0.072 | 33% | 0.334 | C | S | . | . | B | Isolated β-bridge | trans | -79.2 | 136.1 | 174 | -73.3 | 102.4 | 0 | 0 | 0 | 110.8 | C85 P86 L88 H101 V107 R123 C125 | C85-W131 HydrophobicContact CB-CD2 4.1Å; C85-W131 HydrophobicContact CB-CG 4.25Å; C85-W131 HydrophobicContact CB-CZ2 3.94Å; C85-W131 VanDerWaalsContact CB-NE1 3.35Å; P86-W131 PolarHBondContact O-NE1 2.9Å; L88-W131 HydrophobicContact CD1-CD2 3.68Å; L88-W131 HydrophobicContact CD1-CE3 4.27Å; L88-W131 HydrophobicContact CD1-CG 3.78Å; L88-W131 HydrophobicContact CD1-CZ2 4.3Å; L88-W131 HydrophobicContact CD2-CG 4.35Å; L88-W131 HydrophobicContact CG-CD2 4.27Å; L88-W131 HydrophobicContact CG-CG 4.24Å; L88-W131 HydrophobicContact CG-CZ2 4.39Å; H101-W131 HydrophobicContact CB-CH2 4.31Å; H101-W131 HydrophobicContact CB-CZ2 3.7Å; V107-W131 HydrophobicContact CB-CH2 4.22Å; V107-W131 HydrophobicContact CB-CZ3 4.15Å; V107-W131 HydrophobicContact CG2-CH2 3.31Å; V107-W131 HydrophobicContact CG2-CZ2 4.08Å; V107-W131 HydrophobicContact CG2-CZ3 3.7Å; R123-W131 HydrophobicContact CB-CE3 3.82Å; R123-W131 VanDerWaalsContact CZ-CB 3.41Å; R123-W131 WeakPolarHBondContact O-CZ3 3.5Å; C125-W131 HydrophobicContact CB-CD2 4.46Å; C125-W131 HydrophobicContact CB-CE3 4.06Å; C125-W131 HydrophobicContact CB-CH2 3.99Å; C125-W131 HydrophobicContact CB-CZ2 4.41Å; C125-W131 HydrophobicContact CB-CZ3 3.82Å |
| 132 | S | 90.9 | Very high | 86.4 | Confident | 19 Ų | 19 | 60 Ų | 60 | 13% | 0.133 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -63.4 | 159.7 | 170.4 | 74 | 0 | 0 | 0 | 0 | 111.8 | R123 V124 | R123-S132 WeakPolarHBondContact CG-O 3.41Å; R123-S132 PolarHBondContact NE-O 2.93Å; V124-S132 PolarHBondContact N-OG 2.98Å; V124-S132 WeakPolarHBondContact O-CB 3.37Å; V124-S132 PolarHBondContact O-N 2.93Å; V124-S132 PolarHBondContact O-OG 3.49Å |
| 133 | G | 87.9 | Confident | 86.1 | Confident | 44 Ų | 44 | 59.7 Ų | 59.7 | 45% | 0.454 | 33% | 0.331 | S | S | . | . | S | Bend | trans | 72 | -170 | 173 | 0 | 0 | 0 | 0 | 0 | 114.4 | S120 | S120-G133 VanDerWaalsContact OG-CA 3.23Å; S120-G133 WeakPolarHBondContact OG-CA 3.46Å |
| 134 | V | 90.3 | Very high | 85.9 | Confident | 95 Ų | 95 | 58.9 Ų | 58.9 | 58% | 0.576 | 33% | 0.33 | S | S | * | . | P | Polyproline II helix | trans | -103.4 | 148.3 | -176.1 | -161.5 | 0 | 0 | 0 | 0 | 109.2 | S120 A136 | S120-V134 WeakPolarHBondContact CB-O 2.83Å; S120-V134 PolarHBondContact N-O 3.09Å; S120-V134 VanDerWaalsContact N-O 3.08Å; S120-V134 PolarHBondContact OG-N 2.68Å; V134-A136 PolarHBondContact O-N 2.78Å |
| 135 | S | 87.4 | Confident | 85.6 | Confident | 72 Ų | 72 | 60.6 Ų | 60.6 | 50% | 0.503 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -53.6 | 126.1 | 176.8 | 53.8 | 0 | 0 | 0 | 0 | 111.4 | ||
| 136 | A | 88.8 | Confident | 85.2 | Confident | 14 Ų | 14 | 65.1 Ų | 65.1 | 12% | 0.116 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -76.5 | 124.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110 | F109 L117 V134 | F109-A136 HydrophobicContact CB-CB 3.83Å; F109-A136 HydrophobicContact CD1-CB 4.44Å; F109-A136 HydrophobicContact CD2-CB 3.85Å; F109-A136 HydrophobicContact CG-CB 3.78Å; L117-A136 HydrophobicContact CD1-CB 4.17Å; L117-A136 HydrophobicContact CD2-CB 4.29Å; L117-A136 HydrophobicContact CG-CB 4.24Å; V134-A136 PolarHBondContact O-N 2.78Å |
| 137 | V | 91 | Very high | 84.8 | Confident | 68 Ų | 68 | 65 Ų | 65 | 41% | 0.412 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 129.1 | 174.3 | -178 | 0 | 0 | 0 | 0 | 107.9 | V118 K139 | V118-V137 PolarHBondContact N-O 2.83Å; V118-V137 PolarHBondContact O-N 2.85Å; V137-K139 HydrophobicContact CG1-CG 4.27Å; V137-K139 PolarHBondContact O-N 3.31Å |
| 138 | C | 88.2 | Confident | 84.6 | Confident | 13 Ų | 13 | 58.1 Ų | 58.1 | 9% | 0.088 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 112 | 172.5 | -62.7 | 0 | 0 | 0 | 0 | 108.1 | A92 C111 | A92-C138 WeakPolarHBondContact O-CB 3.41Å; C111-C138 WeakPolarHBondContact CA-SG 3.48Å; C111-C138 HydrophobicContact CB-CB 3.77Å; C111-C138 WeakPolarHBondContact CB-SG 3.35Å; C111-C138 WeakPolarHBondContact SG-CA 3.44Å; C111-C138 WeakPolarHBondContact SG-CB 3.39Å; C111-C138 CovalentContact SG-SG 2.03Å; C111-C138 PolarHBondContact SG-SG 3.39Å |
| 139 | K | 83.8 | Confident | 84.7 | Confident | 122 Ų | 122 | 54.2 Ų | 54.2 | 53% | 0.53 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 142 | 173.2 | -67.6 | -164.6 | -179.7 | -177.1 | 0 | 109 | Y115 Q116 V118 V137 I141 | Y115-K139 CarbonylContact C-O 3.22Å; Y115-K139 VanDerWaalsContact CA-O 3.28Å; Y115-K139 WeakPolarHBondContact CA-O 3.46Å; Q116-K139 PolarHBondContact N-O 3.02Å; Q116-K139 PolarHBondContact O-N 2.71Å; V118-K139 HydrophobicContact CG2-CB 4.22Å; V118-K139 HydrophobicContact CG2-CD 4.04Å; V118-K139 HydrophobicContact CG2-CG 4.06Å; V137-K139 HydrophobicContact CG1-CG 4.27Å; V137-K139 PolarHBondContact O-N 3.31Å; K139-I141 PolarHBondContact O-N 2.87Å |
| 140 | D | 77.2 | Confident | 84.8 | Confident | 78 Ų | 78 | 58.6 Ų | 58.6 | 42% | 0.417 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 136.7 | 170.5 | -158 | -37.5 | 0 | 0 | 0 | 109 | Y115 S142 | Y115-D140 HydrophobicContact CD1-CB 4.22Å; Y115-D140 HydrophobicContact CE1-CB 3.97Å; D140-S142 PolarHBondContact O-N 3.45Å |
| 141 | I | 73.7 | Confident | 84.6 | Confident | 54 Ų | 54 | 58.5 Ų | 58.5 | 28% | 0.277 | 35% | 0.353 | S | S | . | . | trans | -81.2 | 102.1 | 176.6 | -58.9 | -180 | 0 | 0 | 0 | 106.1 | G114 Q116 K139 E143 | G114-I141 PolarHBondContact O-N 3.19Å; Q116-I141 HydrophobicContact CB-CD1 3.79Å; Q116-I141 HydrophobicContact CB-CG1 3.52Å; K139-I141 PolarHBondContact O-N 2.87Å; I141-E143 VanDerWaalsContact C-N 3.34Å; I141-E143 HydrophobicContact CG2-CG 4.02Å; I141-E143 PolarHBondContact O-N 3.31Å; I141-E143 VanDerWaalsContact O-OE2 3.06Å | ||
| 142 | S | 76.4 | Confident | 84.2 | Confident | 62 Ų | 62 | 60.8 Ų | 60.8 | 43% | 0.434 | 38% | 0.382 | S | S | . | . | trans | -70.6 | 95.2 | 170.1 | 170.6 | 0 | 0 | 0 | 0 | 108.6 | D140 C144 A145 E157 | D140-S142 PolarHBondContact O-N 3.45Å; S142-C144 PolarHBondContact O-N 3.3Å; S142-A145 WeakPolarHBondContact O-CB 3.42Å; S142-A145 PolarHBondContact O-N 2.85Å; S142-A145 PolarHBondContact OG-N 2.84Å; S142-E157 WeakPolarHBondContact CA-OE1 3.5Å; S142-E157 WeakPolarHBondContact CB-OE1 3.29Å; S142-E157 PolarHBondContact OG-OE1 3.47Å | ||
| 143 | E | 80.1 | Confident | 83.9 | Confident | 31 Ų | 31 | 60.6 Ų | 60.6 | 15% | 0.145 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -70.4 | -22.7 | 178.7 | -62.3 | 94.2 | 179.8 | 0 | 0 | 111.4 | I141 S146 E157 N160 Q161 Y162 | I141-E143 VanDerWaalsContact C-N 3.34Å; I141-E143 HydrophobicContact CG2-CG 4.02Å; I141-E143 PolarHBondContact O-N 3.31Å; I141-E143 VanDerWaalsContact O-OE2 3.06Å; E143-S146 PolarHBondContact O-OG 2.83Å; E143-E157 PolarHBondContact N-OE2 3.21Å; E143-N160 VanDerWaalsContact OE1-C 3.23Å; E143-N160 VanDerWaalsContact OE1-CA 3.24Å; E143-N160 WeakPolarHBondContact OE1-CA 3.42Å; E143-Q161 PolarHBondContact OE1-N 3.25Å; E143-Q161 PolarHBondContact OE2-N 2.9Å; E143-Y162 HydrophobicContact CB-CD1 3.34Å; E143-Y162 HydrophobicContact CB-CE1 4.16Å; E143-Y162 HydrophobicContact CB-CG 3.98Å; E143-Y162 HydrophobicContact CG-CD1 4.15Å |
| 144 | C | 82.7 | Confident | 83.9 | Confident | 16 Ų | 16 | 62.8 Ų | 62.8 | 11% | 0.108 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -76.9 | -13.1 | 175 | -62.5 | 0 | 0 | 0 | 0 | 114.7 | S142 S146 N147 C155 E157 | S142-C144 PolarHBondContact O-N 3.3Å; C144-S146 PolarHBondContact O-N 2.78Å; C144-S146 VanDerWaalsContact O-N 3.09Å; C144-N147 PolarHBondContact O-N 2.87Å; C144-C155 VanDerWaalsContact CA-SG 3.51Å; C144-C155 HydrophobicContact CB-CB 3.72Å; C144-C155 WeakPolarHBondContact CB-SG 3.46Å; C144-C155 WeakPolarHBondContact SG-CB 3.2Å; C144-C155 CovalentContact SG-SG 2.03Å; C144-C155 PolarHBondContact SG-SG 2.67Å; C144-E157 HydrophobicContact CB-CG 4.14Å; C144-E157 WeakPolarHBondContact CB-OE1 3.46Å; C144-E157 PolarHBondContact N-OE1 3.03Å |
| 145 | A | 82.6 | Confident | 83.8 | Confident | 76 Ų | 76 | 60 Ų | 60 | 63% | 0.628 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -59.6 | -25.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | S142 N147 | S142-A145 WeakPolarHBondContact O-CB 3.42Å; S142-A145 PolarHBondContact O-N 2.85Å; S142-A145 PolarHBondContact OG-N 2.84Å; A145-N147 VanDerWaalsContact C-N 3.26Å; A145-N147 PolarHBondContact O-N 3.48Å |
| 146 | S | 79.6 | Confident | 83.8 | Confident | 96 Ų | 96 | 60 Ų | 60 | 67% | 0.671 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -81.8 | 0.6 | 176.7 | 63.6 | 0 | 0 | 0 | 0 | 114.1 | E143 C144 | E143-S146 PolarHBondContact O-OG 2.83Å; C144-S146 PolarHBondContact O-N 2.78Å; C144-S146 VanDerWaalsContact O-N 3.09Å |
| 147 | N | 80.3 | Confident | 83.4 | Confident | 137 Ų | 137 | 63.4 Ų | 63.4 | 73% | 0.733 | 38% | 0.382 | S | S | * | . | trans | 46.4 | 59.8 | -168.9 | -63.4 | -55.4 | 0 | 0 | 0 | 112.2 | C144 A145 C149 | C144-N147 PolarHBondContact O-N 2.87Å; A145-N147 VanDerWaalsContact C-N 3.26Å; A145-N147 PolarHBondContact O-N 3.48Å; N147-C149 VanDerWaalsContact C-N 3.26Å; N147-C149 PolarHBondContact O-N 3.05Å | ||
| 148 | P | 84.3 | Confident | 82.6 | Confident | 16 Ų | 16 | 61.5 Ų | 61.5 | 10% | 0.104 | 38% | 0.376 | C | S | . | . | trans | -70.3 | -19.7 | -171.9 | 29.2 | -35.9 | 0 | 0 | 0 | 113.4 | Y162 H174 | P148-Y162 HydrophobicContact CB-CD2 4.33Å; P148-Y162 HydrophobicContact CB-CE2 3.58Å; P148-Y162 HydrophobicContact CG-CD2 3.59Å; P148-Y162 HydrophobicContact CG-CE1 4.39Å; P148-Y162 HydrophobicContact CG-CE2 3.35Å; P148-Y162 HydrophobicContact CG-CG 4.21Å; P148-H174 WeakPolarHBondContact O-CB 3.37Å; P148-H174 PolarHBondContact O-ND1 2.84Å | ||
| 149 | C | 88.8 | Confident | 81.6 | Confident | 20 Ų | 20 | 65.5 Ų | 65.5 | 14% | 0.135 | 40% | 0.4 | C | S | . | . | trans | -82.1 | 126.3 | 179.6 | -49.4 | 0 | 0 | 0 | 0 | 111.3 | N147 G153 C155 C164 | N147-C149 VanDerWaalsContact C-N 3.26Å; N147-C149 PolarHBondContact O-N 3.05Å; C149-G153 WeakPolarHBondContact CB-O 3.24Å; C149-C155 WeakPolarHBondContact SG-CA 3.48Å; C149-C155 WeakPolarHBondContact SG-CB 3.39Å; C149-C164 WeakPolarHBondContact CA-SG 3.36Å; C149-C164 HydrophobicContact CB-CB 3.84Å; C149-C164 WeakPolarHBondContact CB-SG 3.24Å; C149-C164 WeakPolarHBondContact SG-CA 3.43Å; C149-C164 WeakPolarHBondContact SG-CB 3.37Å; C149-C164 CovalentContact SG-SG 2.02Å; C149-C164 PolarHBondContact SG-SG 3.46Å | ||
| 150 | Q | 85.4 | Confident | 80.8 | Confident | 106 Ų | 106 | 63 Ų | 63 | 50% | 0.495 | 39% | 0.392 | S | S | . | . | trans | -94.3 | 169.7 | 179.6 | -57.3 | -178.3 | 19.9 | 0 | 0 | 111.1 | G152 G153 H174 C175 | Q150-G152 VanDerWaalsContact C-N 3.29Å; Q150-G152 PolarHBondContact O-N 2.82Å; Q150-G152 VanDerWaalsContact O-N 3.12Å; Q150-G153 PolarHBondContact O-N 3.45Å; Q150-H174 WeakPolarHBondContact CB-O 3.29Å; Q150-H174 PolarHBondContact N-O 2.79Å; Q150-C175 WeakPolarHBondContact O-CB 3.3Å | ||
| 151 | N | 85.9 | Confident | 80.5 | Confident | 71 Ų | 71 | 65.9 Ų | 65.9 | 38% | 0.38 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 38.1 | 169.6 | -53 | -53 | 0 | 0 | 0 | 115.8 | G153 W170 C175 | N151-G153 VanDerWaalsContact C-N 3.32Å; N151-G153 PolarHBondContact O-N 2.95Å; N151-W170 HydrophobicContact CB-CD2 3.48Å; N151-W170 VanDerWaalsContact CB-CD2 3.48Å; N151-W170 HydrophobicContact CB-CE3 3.69Å; N151-W170 HydrophobicContact CB-CG 4.01Å; N151-W170 HydrophobicContact CB-CH2 4Å; N151-W170 HydrophobicContact CB-CZ2 3.79Å; N151-W170 HydrophobicContact CB-CZ3 3.96Å; N151-W170 VanDerWaalsContact CG-CH2 3.44Å; N151-W170 WeakPolarHBondContact ND2-CZ3 3.4Å; N151-C175 PolarHBondContact ND2-O 3.5Å |
| 152 | G | 82.1 | Confident | 81 | Confident | 67 Ų | 67 | 66.5 Ų | 66.5 | 69% | 0.691 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.5 | 15.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q150 | Q150-G152 VanDerWaalsContact C-N 3.29Å; Q150-G152 PolarHBondContact O-N 2.82Å; Q150-G152 VanDerWaalsContact O-N 3.12Å |
| 153 | G | 86 | Confident | 81.3 | Confident | 14 Ų | 14 | 70.5 Ų | 70.5 | 14% | 0.144 | 41% | 0.412 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 138.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | C149 Q150 N151 T165 | C149-G153 WeakPolarHBondContact CB-O 3.24Å; Q150-G153 PolarHBondContact O-N 3.45Å; N151-G153 VanDerWaalsContact C-N 3.32Å; N151-G153 PolarHBondContact O-N 2.95Å; G153-T165 WeakPolarHBondContact CA-O 3.49Å |
| 154 | T | 87.6 | Confident | 81.6 | Confident | 91 Ų | 91 | 69.6 Ų | 69.6 | 56% | 0.558 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 121.4 | 175.8 | -56.2 | 0 | 0 | 0 | 0 | 109.7 | T165 | T154-T165 WeakPolarHBondContact CB-OG1 3.37Å; T154-T165 PolarHBondContact N-O 2.78Å; T154-T165 PolarHBondContact O-N 3.46Å; T154-T165 PolarHBondContact O-OG1 2.88Å |
| 155 | C | 88.2 | Confident | 81.7 | Confident | 35 Ų | 35 | 72 Ų | 72 | 24% | 0.236 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 128.5 | 177.3 | -162.6 | 0 | 0 | 0 | 0 | 110.5 | C144 C149 | C144-C155 VanDerWaalsContact CA-SG 3.51Å; C144-C155 HydrophobicContact CB-CB 3.72Å; C144-C155 WeakPolarHBondContact CB-SG 3.46Å; C144-C155 WeakPolarHBondContact SG-CB 3.2Å; C144-C155 CovalentContact SG-SG 2.03Å; C144-C155 PolarHBondContact SG-SG 2.67Å; C149-C155 WeakPolarHBondContact SG-CA 3.48Å; C149-C155 WeakPolarHBondContact SG-CB 3.39Å |
| 156 | V | 86.1 | Confident | 81.7 | Confident | 72 Ų | 72 | 70.5 Ų | 70.5 | 44% | 0.436 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 120.9 | 175 | -172.9 | 0 | 0 | 0 | 0 | 108.2 | Y162 K163 T165 | V156-Y162 WeakPolarHBondContact O-CA 3.4Å; V156-K163 PolarHBondContact N-O 2.81Å; V156-K163 PolarHBondContact O-N 2.79Å; V156-T165 HydrophobicContact CG2-CG2 4.05Å |
| 157 | E | 81.1 | Confident | 81.9 | Confident | 86 Ų | 86 | 68.4 Ų | 68.4 | 40% | 0.402 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 149.1 | 177 | -68.8 | -75.8 | -170.8 | 0 | 0 | 111.3 | S142 E143 C144 | S142-E157 WeakPolarHBondContact CA-OE1 3.5Å; S142-E157 WeakPolarHBondContact CB-OE1 3.29Å; S142-E157 PolarHBondContact OG-OE1 3.47Å; E143-E157 PolarHBondContact N-OE2 3.21Å; C144-E157 HydrophobicContact CB-CG 4.14Å; C144-E157 WeakPolarHBondContact CB-OE1 3.46Å; C144-E157 PolarHBondContact N-OE1 3.03Å |
| 158 | G | 74.3 | Confident | 81.6 | Confident | 28 Ų | 28 | 70.6 Ų | 70.6 | 29% | 0.289 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 170.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | N160 Q161 | G158-N160 PolarHBondContact O-N 3.14Å; G158-Q161 CarbonylContact C-O 3.58Å; G158-Q161 VanDerWaalsContact C-O 3.22Å; G158-Q161 WeakPolarHBondContact CA-O 2.91Å; G158-Q161 PolarHBondContact N-O 3.09Å |
| 159 | V | 68.2 | Low | 81.2 | Confident | 98 Ų | 98 | 75 Ų | 75 | 59% | 0.594 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | 109.5 | -178.9 | -175.6 | 0 | 0 | 0 | 0 | 109.1 | Q161 | V159-Q161 VanDerWaalsContact C-N 3.27Å; V159-Q161 PolarHBondContact O-N 3.16Å |
| 160 | N | 65.3 | Low | 80.6 | Confident | 68 Ų | 68 | 77.8 Ų | 77.8 | 36% | 0.364 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.2 | 20.9 | -177.3 | -158.7 | 65.7 | 0 | 0 | 0 | 115 | Q113 G114 E143 G158 | Q113-N160 HydrophobicContact CG-CB 4.48Å; G114-N160 WeakPolarHBondContact CA-OD1 3.37Å; G114-N160 PolarHBondContact N-OD1 2.97Å; E143-N160 VanDerWaalsContact OE1-C 3.23Å; E143-N160 VanDerWaalsContact OE1-CA 3.24Å; E143-N160 WeakPolarHBondContact OE1-CA 3.42Å; G158-N160 PolarHBondContact O-N 3.14Å |
| 161 | Q | 72.7 | Confident | 80.1 | Confident | 140 Ų | 140 | 74.8 Ų | 74.8 | 65% | 0.654 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -165.4 | 146.6 | -179.8 | 62.6 | -179.4 | 13.9 | 0 | 0 | 110.5 | E143 G158 V159 | E143-Q161 PolarHBondContact OE1-N 3.25Å; E143-Q161 PolarHBondContact OE2-N 2.9Å; G158-Q161 CarbonylContact C-O 3.58Å; G158-Q161 VanDerWaalsContact C-O 3.22Å; G158-Q161 WeakPolarHBondContact CA-O 2.91Å; G158-Q161 PolarHBondContact N-O 3.09Å; V159-Q161 VanDerWaalsContact C-N 3.27Å; V159-Q161 PolarHBondContact O-N 3.16Å |
| 162 | Y | 83 | Confident | 79.6 | Confident | 67 Ų | 67 | 72.8 Ų | 72.8 | 26% | 0.263 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 153.8 | 167.5 | 67.1 | -74.2 | 0 | 0 | 0 | 110.2 | E143 P148 V156 H174 | E143-Y162 HydrophobicContact CB-CD1 3.34Å; E143-Y162 HydrophobicContact CB-CE1 4.16Å; E143-Y162 HydrophobicContact CB-CG 3.98Å; E143-Y162 HydrophobicContact CG-CD1 4.15Å; P148-Y162 HydrophobicContact CB-CD2 4.33Å; P148-Y162 HydrophobicContact CB-CE2 3.58Å; P148-Y162 HydrophobicContact CG-CD2 3.59Å; P148-Y162 HydrophobicContact CG-CE1 4.39Å; P148-Y162 HydrophobicContact CG-CE2 3.35Å; P148-Y162 HydrophobicContact CG-CG 4.21Å; V156-Y162 WeakPolarHBondContact O-CA 3.4Å; Y162-H174 AromaticContact CZ-CE1 3.87Å; Y162-H174 PolarHBondContact OH-CE1 2.92Å; Y162-H174 PolarHBondContact OH-ND1 2.81Å; Y162-H174 PolarHBondContact OH-NE2 2.85Å |
| 163 | K | 82.5 | Confident | 79.3 | Confident | 145 Ų | 145 | 71.7 Ų | 71.7 | 63% | 0.63 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 122.8 | 173.4 | -175.8 | 174.5 | -179.7 | 176.4 | 0 | 109.6 | V156 | V156-K163 PolarHBondContact N-O 2.81Å; V156-K163 PolarHBondContact O-N 2.79Å |
| 164 | C | 86.5 | Confident | 79.1 | Confident | 13 Ų | 13 | 73.6 Ų | 73.6 | 9% | 0.088 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 126.3 | 168.6 | -63 | 0 | 0 | 0 | 0 | 110 | C149 S173 | C149-C164 WeakPolarHBondContact CA-SG 3.36Å; C149-C164 HydrophobicContact CB-CB 3.84Å; C149-C164 WeakPolarHBondContact CB-SG 3.24Å; C149-C164 WeakPolarHBondContact SG-CA 3.43Å; C149-C164 WeakPolarHBondContact SG-CB 3.37Å; C149-C164 CovalentContact SG-SG 2.02Å; C149-C164 PolarHBondContact SG-SG 3.46Å; C164-S173 VanDerWaalsContact CB-O 3.25Å; C164-S173 WeakPolarHBondContact CB-O 3.42Å; C164-S173 PolarHBondContact SG-O 2.82Å |
| 165 | T | 84.8 | Confident | 79 | Confident | 66 Ų | 66 | 69.3 Ų | 69.3 | 41% | 0.405 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 112.9 | 167.9 | 51.3 | 0 | 0 | 0 | 0 | 108.4 | G153 T154 V156 | G153-T165 WeakPolarHBondContact CA-O 3.49Å; T154-T165 WeakPolarHBondContact CB-OG1 3.37Å; T154-T165 PolarHBondContact N-O 2.78Å; T154-T165 PolarHBondContact O-N 3.46Å; T154-T165 PolarHBondContact O-OG1 2.88Å; V156-T165 HydrophobicContact CG2-CG2 4.05Å |
| 166 | C | 84 | Confident | 78.6 | Confident | 44 Ų | 44 | 70.4 Ų | 70.4 | 30% | 0.297 | 38% | 0.378 | S | S | . | . | trans | -90.2 | 142.7 | -173.5 | -55 | 0 | 0 | 0 | 0 | 112 | W170 G172 C175 | C166-W170 HydrophobicContact CB-CB 4.24Å; C166-W170 WeakPolarHBondContact CB-O 3.29Å; C166-G172 PolarHBondContact SG-O 3.47Å; C166-C175 WeakPolarHBondContact CA-SG 3.28Å; C166-C175 HydrophobicContact CB-CB 3.78Å; C166-C175 WeakPolarHBondContact CB-SG 3.33Å; C166-C175 WeakPolarHBondContact SG-CA 3.31Å; C166-C175 WeakPolarHBondContact SG-CB 3.34Å; C166-C175 CovalentContact SG-SG 2.04Å; C166-C175 PolarHBondContact SG-SG 3.45Å | ||
| 167 | P | 83 | Confident | 78 | Confident | 52 Ų | 52 | 71 Ų | 71 | 34% | 0.338 | 38% | 0.376 | S | S | . | . | trans | -60.1 | 160.2 | 168.3 | -19.2 | 30.4 | 0 | 0 | 0 | 111.5 | N169 W170 | P167-N169 PolarHBondContact O-N 2.61Å; P167-W170 PolarHBondContact O-N 2.91Å | ||
| 168 | Q | 72.9 | Confident | 77.6 | Confident | 183 Ų | 183 | 73 Ų | 73 | 86% | 0.855 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | -22.6 | -172.9 | -70.8 | -72.2 | -39.1 | 0 | 0 | 115.8 | ||
| 169 | N | 76.1 | Confident | 77 | Confident | 110 Ų | 110 | 74.3 Ų | 74.3 | 59% | 0.588 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.7 | 13.3 | -178.6 | -60.2 | -17.8 | 0 | 0 | 0 | 113.9 | P167 Q178 T179 | P167-N169 PolarHBondContact O-N 2.61Å; N169-Q178 CarbonylContact O-C 3.45Å; N169-Q178 WeakPolarHBondContact O-CA 3.34Å; N169-Q178 WeakPolarHBondContact O-CG 3.39Å; N169-T179 WeakPolarHBondContact CA-OG1 3.47Å; N169-T179 PolarHBondContact O-N 2.87Å; N169-T179 PolarHBondContact O-OG1 3.45Å |
| 170 | W | 77.3 | Confident | 76.3 | Confident | 77 Ų | 77 | 75.6 Ų | 75.6 | 29% | 0.292 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 150.1 | 174.1 | -61.7 | 90.8 | 0 | 0 | 0 | 112.1 | N151 C166 P167 C175 H177 Q178 T179 | N151-W170 HydrophobicContact CB-CD2 3.48Å; N151-W170 VanDerWaalsContact CB-CD2 3.48Å; N151-W170 HydrophobicContact CB-CE3 3.69Å; N151-W170 HydrophobicContact CB-CG 4.01Å; N151-W170 HydrophobicContact CB-CH2 4Å; N151-W170 HydrophobicContact CB-CZ2 3.79Å; N151-W170 HydrophobicContact CB-CZ3 3.96Å; N151-W170 VanDerWaalsContact CG-CH2 3.44Å; N151-W170 WeakPolarHBondContact ND2-CZ3 3.4Å; C166-W170 HydrophobicContact CB-CB 4.24Å; C166-W170 WeakPolarHBondContact CB-O 3.29Å; P167-W170 PolarHBondContact O-N 2.91Å; W170-C175 HydrophobicContact CB-CB 4.1Å; W170-C175 VanDerWaalsContact CE3-O 3.3Å; W170-H177 CarbonylContact C-O 3.59Å; W170-H177 VanDerWaalsContact CA-O 3.28Å; W170-H177 WeakPolarHBondContact CA-O 3.29Å; W170-H177 VanDerWaalsContact CE3-C 3.42Å; W170-Q178 HydrophobicContact CE3-CB 4.16Å; W170-Q178 VanDerWaalsContact CE3-N 3.34Å; W170-Q178 HydrophobicContact CH2-CB 4.3Å; W170-Q178 HydrophobicContact CZ3-CB 3.97Å; W170-T179 VanDerWaalsContact CA-OG1 3.26Å; W170-T179 WeakPolarHBondContact CA-OG1 3.45Å; W170-T179 PolarHBondContact N-OG1 3.41Å; W170-T179 PolarHBondContact O-OG1 2.95Å |
| 171 | S | 75.5 | Confident | 75.7 | Confident | 43 Ų | 43 | 79.6 Ų | 79.6 | 30% | 0.301 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 170.3 | -175.7 | 61.6 | 0 | 0 | 0 | 0 | 110.5 | C175 Q176 H177 | S171-C175 CarbonylContact O-C 3.45Å; S171-C175 WeakPolarHBondContact O-CA 3.45Å; S171-Q176 PolarHBondContact O-N 3.27Å; S171-H177 PolarHBondContact N-O 2.79Å; S171-H177 WeakPolarHBondContact O-CB 3.49Å; S171-H177 PolarHBondContact O-N 2.79Å; S171-H177 PolarHBondContact OG-O 2.88Å |
| 172 | G | 73.4 | Confident | 74.8 | Confident | 30 Ų | 30 | 75.9 Ų | 75.9 | 31% | 0.309 | 41% | 0.408 | S | S | . | . | S | Bend | trans | 95.5 | 163.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | C166 H174 C175 | C166-G172 PolarHBondContact SG-O 3.47Å; G172-H174 PolarHBondContact O-N 2.86Å; G172-C175 PolarHBondContact O-N 2.91Å; G172-C175 VanDerWaalsContact O-N 3.08Å |
| 173 | S | 75.9 | Confident | 72.9 | Confident | 43 Ų | 43 | 75.8 Ų | 75.8 | 30% | 0.301 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -24.6 | -175.5 | 55.8 | 0 | 0 | 0 | 0 | 114.6 | C164 | C164-S173 VanDerWaalsContact CB-O 3.25Å; C164-S173 WeakPolarHBondContact CB-O 3.42Å; C164-S173 PolarHBondContact SG-O 2.82Å |
| 174 | H | 83.3 | Confident | 71.3 | Confident | 55 Ų | 55 | 70.8 Ų | 70.8 | 26% | 0.255 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.6 | 13.2 | 176.6 | -58.5 | -101 | 0 | 0 | 0 | 112.4 | P148 Q150 Y162 G172 Q176 | P148-H174 WeakPolarHBondContact O-CB 3.37Å; P148-H174 PolarHBondContact O-ND1 2.84Å; Q150-H174 WeakPolarHBondContact CB-O 3.29Å; Q150-H174 PolarHBondContact N-O 2.79Å; Y162-H174 AromaticContact CZ-CE1 3.87Å; Y162-H174 PolarHBondContact OH-CE1 2.92Å; Y162-H174 PolarHBondContact OH-ND1 2.81Å; Y162-H174 PolarHBondContact OH-NE2 2.85Å; G172-H174 PolarHBondContact O-N 2.86Å; H174-Q176 VanDerWaalsContact CA-OE1 3.28Å; H174-Q176 VanDerWaalsContact CB-OE1 3.3Å; H174-Q176 PolarHBondContact O-N 3.43Å |
| 175 | C | 84.6 | Confident | 69.5 | Low | 0 Ų | 0 | 79.4 Ų | 79.4 | 0% | 0 | 44% | 0.436 | C | S | . | . | S | Bend | trans | 56.4 | 29.7 | -171.5 | -44.9 | 0 | 0 | 0 | 0 | 113.4 | Q150 N151 C166 W170 S171 G172 | Q150-C175 WeakPolarHBondContact O-CB 3.3Å; N151-C175 PolarHBondContact ND2-O 3.5Å; C166-C175 WeakPolarHBondContact CA-SG 3.28Å; C166-C175 HydrophobicContact CB-CB 3.78Å; C166-C175 WeakPolarHBondContact CB-SG 3.33Å; C166-C175 WeakPolarHBondContact SG-CA 3.31Å; C166-C175 WeakPolarHBondContact SG-CB 3.34Å; C166-C175 CovalentContact SG-SG 2.04Å; C166-C175 PolarHBondContact SG-SG 3.45Å; W170-C175 HydrophobicContact CB-CB 4.1Å; W170-C175 VanDerWaalsContact CE3-O 3.3Å; S171-C175 CarbonylContact O-C 3.45Å; S171-C175 WeakPolarHBondContact O-CA 3.45Å; G172-C175 PolarHBondContact O-N 2.91Å; G172-C175 VanDerWaalsContact O-N 3.08Å |
| 176 | Q | 80.4 | Confident | 67.8 | Low | 58 Ų | 58 | 84.2 Ų | 84.2 | 27% | 0.271 | 45% | 0.447 | S | S | . | . | trans | -78.7 | -20.4 | -176.8 | 72.3 | -82.4 | 15.2 | 0 | 0 | 113.1 | S171 H174 | S171-Q176 PolarHBondContact O-N 3.27Å; H174-Q176 VanDerWaalsContact CA-OE1 3.28Å; H174-Q176 VanDerWaalsContact CB-OE1 3.3Å; H174-Q176 PolarHBondContact O-N 3.43Å | ||
| 177 | H | 73.5 | Confident | 66 | Low | 86 Ų | 86 | 83.1 Ų | 83.1 | 40% | 0.398 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 126.9 | -178.2 | -57.2 | -69 | 0 | 0 | 0 | 109.4 | W170 S171 T179 | W170-H177 CarbonylContact C-O 3.59Å; W170-H177 VanDerWaalsContact CA-O 3.28Å; W170-H177 WeakPolarHBondContact CA-O 3.29Å; W170-H177 VanDerWaalsContact CE3-C 3.42Å; S171-H177 PolarHBondContact N-O 2.79Å; S171-H177 WeakPolarHBondContact O-CB 3.49Å; S171-H177 PolarHBondContact O-N 2.79Å; S171-H177 PolarHBondContact OG-O 2.88Å; H177-T179 PolarHBondContact O-N 3.05Å |
| 178 | Q | 71.8 | Confident | 64.6 | Low | 126 Ų | 126 | 85.6 Ų | 85.6 | 59% | 0.589 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 131.8 | 165.1 | -165.3 | 172.7 | 2.9 | 0 | 0 | 107.2 | N169 W170 Q180 | N169-Q178 CarbonylContact O-C 3.45Å; N169-Q178 WeakPolarHBondContact O-CA 3.34Å; N169-Q178 WeakPolarHBondContact O-CG 3.39Å; W170-Q178 HydrophobicContact CE3-CB 4.16Å; W170-Q178 VanDerWaalsContact CE3-N 3.34Å; W170-Q178 HydrophobicContact CH2-CB 4.3Å; W170-Q178 HydrophobicContact CZ3-CB 3.97Å; Q178-Q180 VanDerWaalsContact C-N 3.29Å; Q178-Q180 PolarHBondContact O-N 3.44Å |
| 179 | T | 61.7 | Low | 63.4 | Low | 57 Ų | 57 | 82.4 Ų | 82.4 | 35% | 0.35 | 44% | 0.44 | S | S | . | . | trans | -64.5 | 94.9 | 178.8 | -31.2 | 0 | 0 | 0 | 0 | 107.3 | N169 W170 H177 T181 | N169-T179 WeakPolarHBondContact CA-OG1 3.47Å; N169-T179 PolarHBondContact O-N 2.87Å; N169-T179 PolarHBondContact O-OG1 3.45Å; W170-T179 VanDerWaalsContact CA-OG1 3.26Å; W170-T179 WeakPolarHBondContact CA-OG1 3.45Å; W170-T179 PolarHBondContact N-OG1 3.41Å; W170-T179 PolarHBondContact O-OG1 2.95Å; H177-T179 PolarHBondContact O-N 3.05Å; T179-T181 PolarHBondContact O-N 2.86Å; T179-T181 VanDerWaalsContact O-N 3.13Å | ||
| 180 | Q | 54.2 | Low | 62.2 | Low | 125 Ų | 125 | 84.9 Ų | 84.9 | 58% | 0.584 | 45% | 0.454 | S | S | * | . | trans | -74.2 | 106.7 | 178.2 | -61.3 | -176.1 | -8.9 | 0 | 0 | 106.9 | Q178 A182 | Q178-Q180 VanDerWaalsContact C-N 3.29Å; Q178-Q180 PolarHBondContact O-N 3.44Å; Q180-A182 VanDerWaalsContact CB-O 3.23Å; Q180-A182 WeakPolarHBondContact CB-O 3.42Å; Q180-A182 PolarHBondContact O-N 3.3Å | ||
| 181 | T | 52.9 | Low | 61.5 | Low | 152 Ų | 152 | 84.1 Ų | 84.1 | 93% | 0.933 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -73 | 6.7 | 166.3 | 30.6 | 0 | 0 | 0 | 0 | 112.4 | T179 | T179-T181 PolarHBondContact O-N 2.86Å; T179-T181 VanDerWaalsContact O-N 3.13Å |
| 182 | A | 53.5 | Low | 61.1 | Low | 62 Ų | 62 | 87.5 Ų | 87.5 | 51% | 0.512 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -133.6 | 139.7 | 173 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q180 | Q180-A182 VanDerWaalsContact CB-O 3.23Å; Q180-A182 WeakPolarHBondContact CB-O 3.42Å; Q180-A182 PolarHBondContact O-N 3.3Å |
| 183 | P | 44.3 | Very low | 60.9 | Low | 64 Ų | 64 | 88 Ų | 88 | 42% | 0.416 | 48% | 0.478 | S | S | . | . | trans | -60.1 | 144.9 | -178.9 | 20.7 | -29.2 | 0 | 0 | 0 | 112.1 | S218 | P183-S218 WeakPolarHBondContact CG-OG 3.38Š| ||
| 184 | P | 48.2 | Very low | 61 | Low | 41 Ų | 41 | 88.8 Ų | 88.8 | 27% | 0.266 | 48% | 0.476 | S | S | . | . | trans | -66.3 | 148.9 | -173.7 | 24.6 | -33.5 | 0 | 0 | 0 | 112.9 | W186 S187 | P184-W186 HydrophobicContact CG-CZ2 4.03Å; P184-W186 PolarHBondContact O-N 3.24Å; P184-S187 VanDerWaalsContact O-CB 3.3Å; P184-S187 WeakPolarHBondContact O-CB 3.49Å; P184-S187 PolarHBondContact O-N 3.18Å; P184-S187 PolarHBondContact O-OG 2.92Å | ||
| 185 | E | 48.3 | Very low | 60.8 | Low | 193 Ų | 193 | 87.5 Ų | 87.5 | 90% | 0.902 | 47% | 0.473 | S | S | * | . | G | 310 helix | trans | -56.2 | -14.7 | -174.9 | -88.9 | -172.8 | 145.3 | 0 | 0 | 116.4 | S187 | E185-S187 VanDerWaalsContact C-N 3.3Š|
| 186 | W | 49.8 | Very low | 60.6 | Low | 167 Ų | 167 | 91.7 Ų | 91.7 | 63% | 0.633 | 49% | 0.489 | S | S | * | . | G | 310 helix | trans | -81.7 | -7.2 | 173.6 | 62.7 | -93.9 | 0 | 0 | 0 | 113.4 | P184 V188 | P184-W186 HydrophobicContact CG-CZ2 4.03Å; P184-W186 PolarHBondContact O-N 3.24Å; W186-V188 PolarHBondContact O-N 2.69Å |
| 187 | S | 45.4 | Very low | 60.4 | Low | 22 Ų | 22 | 99.7 Ų | 99.7 | 15% | 0.154 | 52% | 0.516 | C | S | . | . | G | 310 helix | trans | -69.3 | -9.3 | 175.2 | 72.8 | 0 | 0 | 0 | 0 | 113.1 | P184 E185 M189 Q227 | P184-S187 VanDerWaalsContact O-CB 3.3Å; P184-S187 WeakPolarHBondContact O-CB 3.49Å; P184-S187 PolarHBondContact O-N 3.18Å; P184-S187 PolarHBondContact O-OG 2.92Å; E185-S187 VanDerWaalsContact C-N 3.3Å; S187-M189 VanDerWaalsContact C-N 3.33Å; S187-M189 PolarHBondContact O-N 3.34Å; S187-Q227 PolarHBondContact O-NE2 3.28Å; S187-Q227 PolarHBondContact OG-NE2 2.92Å; S187-Q227 PolarHBondContact OG-OE1 2.94Å |
| 188 | V | 53.6 | Low | 60.7 | Low | 103 Ų | 103 | 96.7 Ų | 96.7 | 62% | 0.624 | 50% | 0.504 | S | S | * | . | trans | -92.9 | 65.6 | 170.8 | -164.1 | 0 | 0 | 0 | 0 | 109.7 | W186 | W186-V188 PolarHBondContact O-N 2.69Š| ||
| 189 | M | 47.3 | Very low | 61.2 | Low | 116 Ų | 116 | 98.9 Ų | 98.9 | 57% | 0.571 | 51% | 0.507 | S | S | * | . | trans | -80.3 | 118.2 | 156 | -76.8 | -157.9 | 76.1 | 0 | 0 | 107.9 | S187 D191 S195 | S187-M189 VanDerWaalsContact C-N 3.33Å; S187-M189 PolarHBondContact O-N 3.34Å; M189-D191 HydrophobicContact CB-CB 4.19Å; M189-D191 HydrophobicContact CE-CB 4.41Å; M189-D191 PolarHBondContact O-N 3.43Å; M189-S195 PolarHBondContact O-OG 3.11Å; M189-S195 VanDerWaalsContact O-OG 3.11Å | ||
| 190 | N | 52.6 | Low | 62 | Low | 163 Ų | 163 | 99 Ų | 99 | 87% | 0.872 | 51% | 0.51 | S | S | * | . | trans | -63.6 | 23.9 | 163.7 | -96.2 | -13.2 | 0 | 0 | 0 | 112.4 | P192 | N190-P192 WeakPolarHBondContact O-CD 3.45Š| ||
| 191 | D | 62.1 | Low | 63.3 | Low | 61 Ų | 61 | 95.7 Ų | 95.7 | 33% | 0.326 | 50% | 0.504 | S | S | . | . | trans | -84.6 | 114.1 | 174 | -168 | -27.1 | 0 | 0 | 0 | 108.8 | M189 A193 F194 S195 | M189-D191 HydrophobicContact CB-CB 4.19Å; M189-D191 HydrophobicContact CE-CB 4.41Å; M189-D191 PolarHBondContact O-N 3.43Å; D191-A193 PolarHBondContact O-N 2.68Å; D191-A193 VanDerWaalsContact OD1-CB 3.31Å; D191-A193 WeakPolarHBondContact OD1-CB 3.47Å; D191-A193 PolarHBondContact OD1-N 3.11Å; D191-F194 PolarHBondContact O-N 2.77Å; D191-S195 PolarHBondContact O-N 2.86Å | ||
| 192 | P | 66.2 | Low | 64.3 | Low | 113 Ų | 113 | 94.6 Ų | 94.6 | 73% | 0.734 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59 | -18.2 | 179.6 | -19.9 | 31.5 | 0 | 0 | 0 | 114 | N190 | N190-P192 WeakPolarHBondContact O-CD 3.45Š|
| 193 | A | 70.3 | Confident | 65.3 | Low | 41 Ų | 41 | 95.2 Ų | 95.2 | 34% | 0.339 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -38.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D191 P252 | D191-A193 PolarHBondContact O-N 2.68Å; D191-A193 VanDerWaalsContact OD1-CB 3.31Å; D191-A193 WeakPolarHBondContact OD1-CB 3.47Å; D191-A193 PolarHBondContact OD1-N 3.11Å; A193-P252 HydrophobicContact CB-CG 4.01Å; A193-P252 WeakPolarHBondContact O-CB 3.32Å; A193-P252 WeakPolarHBondContact O-CG 3.28Å |
| 194 | F | 76.5 | Confident | 66.3 | Low | 60 Ų | 60 | 99.5 Ų | 99.5 | 26% | 0.263 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | -8.2 | -173.6 | -65.3 | -84.6 | 0 | 0 | 0 | 113.9 | D191 D228 P252 | D191-F194 PolarHBondContact O-N 2.77Å; F194-D228 HydrophobicContact CB-CB 4.09Å; F194-D228 HydrophobicContact CD1-CB 3.9Å; F194-D228 WeakPolarHBondContact CD1-OD2 3.36Å; F194-D228 WeakPolarHBondContact O-CB 3.37Å; F194-D228 PolarHBondContact O-N 2.76Å; F194-P252 HydrophobicContact CD1-CG 4.23Å; F194-P252 HydrophobicContact CE1-CG 3.96Å; F194-P252 HydrophobicContact CE2-CG 4.43Å; F194-P252 HydrophobicContact CZ-CG 4.07Å |
| 195 | S | 79 | Confident | 67.3 | Low | 27 Ų | 27 | 107.1 Ų | 107.1 | 19% | 0.189 | 54% | 0.537 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 124.2 | 176.5 | -64.4 | 0 | 0 | 0 | 0 | 110.5 | M189 D191 C226 | M189-S195 PolarHBondContact O-OG 3.11Å; M189-S195 VanDerWaalsContact O-OG 3.11Å; D191-S195 PolarHBondContact O-N 2.86Å; S195-C226 WeakPolarHBondContact CA-O 2.86Å |
| 196 | R | 80.3 | Confident | 68 | Low | 89 Ų | 89 | 100.8 Ų | 100.8 | 34% | 0.336 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 163.2 | 179.9 | 69.2 | -179.2 | 75.1 | -171.2 | -1.3 | 112.7 | D212 F215 C226 | R196-D212 IonicContact CZ-OD2 2.78Å; R196-D212 IonicContact NH1-OD2 3.46Å; R196-D212 PolarHBondContact NH1-OD2 2.75Å; R196-F215 HydrophobicContact CG-CD1 4.25Å; R196-F215 HydrophobicContact CG-CE1 4.35Å; R196-F215 VanDerWaalsContact CZ-CE2 3.49Å; R196-F215 VanDerWaalsContact CZ-CZ 3.45Å; R196-F215 VanDerWaalsContact NE-CZ 3.32Å; R196-C226 HydrophobicContact CG-CB 3.84Å; R196-C226 PolarHBondContact N-O 2.9Å; R196-C226 WeakPolarHBondContact O-CA 3.39Å; R196-C226 WeakPolarHBondContact O-CB 3.32Å; R196-C226 PolarHBondContact O-N 2.83Å |
| 197 | R | 76.9 | Confident | 69 | Low | 226 Ų | 226 | 98.6 Ų | 98.6 | 85% | 0.853 | 51% | 0.514 | S | S | * | . | trans | -79 | 143.3 | 176.2 | -64.5 | -174.3 | -178.7 | -150.5 | -0.8 | 111 | ||||
| 198 | P | 79.9 | Confident | 70.5 | Confident | 23 Ų | 23 | 103.2 Ų | 103.2 | 15% | 0.149 | 53% | 0.533 | C | S | . | . | trans | -68.6 | 151.1 | 176.5 | 27.5 | -33.7 | 0 | 0 | 0 | 111.8 | C209 M217 S224 C226 | P198-C209 HydrophobicContact CB-CB 4.09Å; P198-C209 HydrophobicContact CG-CB 4.37Å; P198-M217 HydrophobicContact CB-CE 4.11Å; P198-S224 WeakPolarHBondContact CD-O 3.33Å; P198-S224 WeakPolarHBondContact CG-O 3.3Å; P198-C226 WeakPolarHBondContact CA-SG 3.26Å; P198-C226 VanDerWaalsContact CB-SG 3.58Å | ||
| 199 | R | 81.6 | Confident | 71.7 | Confident | 171 Ų | 171 | 99.5 Ų | 99.5 | 65% | 0.645 | 51% | 0.512 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 114.7 | 172.3 | -63 | -174.3 | -173.2 | -166.6 | 3.1 | 108.2 | C209 S210 D212 | R199-C209 WeakPolarHBondContact O-CA 3.39Å; R199-S210 PolarHBondContact N-O 2.8Å; R199-S210 PolarHBondContact O-N 2.73Å; R199-D212 IonicContact CZ-OD1 3.35Å; R199-D212 IonicContact NE-OD1 3.14Å; R199-D212 PolarHBondContact NE-OD1 2.98Å; R199-D212 VanDerWaalsContact NE-OD1 3.14Å; R199-D212 IonicContact NH2-OD1 3.4Å; R199-D212 PolarHBondContact NH2-OD1 3.44Å; R199-D212 IonicContact NH2-OD2 3.8Å |
| 200 | C | 80.3 | Confident | 73.4 | Confident | 61 Ų | 61 | 96.7 Ų | 96.7 | 41% | 0.412 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 130.7 | -178.7 | -55.8 | 0 | 0 | 0 | 0 | 111 | Q207 H208 C209 | C200-Q207 HydrophobicContact CB-CG 4.14Å; C200-H208 CarbonylContact C-O 3.57Å; C200-H208 WeakPolarHBondContact CA-O 3.49Å; C200-C209 HydrophobicContact CB-CB 4.12Å; C200-C209 WeakPolarHBondContact CB-SG 3.28Å; C200-C209 WeakPolarHBondContact SG-CB 3.36Å; C200-C209 CovalentContact SG-SG 2.04Å; C200-C209 PolarHBondContact SG-SG 3.38Å |
| 201 | A | 79.9 | Confident | 74.9 | Confident | 54 Ų | 54 | 90.4 Ų | 90.4 | 45% | 0.446 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 145.1 | 172 | 0 | 0 | 0 | 0 | 0 | 109.9 | V203 H208 | A201-V203 HydrophobicContact CB-CG2 4.49Å; A201-H208 PolarHBondContact N-O 2.76Å; A201-H208 PolarHBondContact O-N 3Å |
| 202 | Q | 74.1 | Confident | 75.9 | Confident | 129 Ų | 129 | 89.5 Ų | 89.5 | 60% | 0.603 | 47% | 0.467 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 113.3 | 174.1 | -72.8 | -67.3 | -41.9 | 0 | 0 | 108.9 | ||
| 203 | V | 75.6 | Confident | 76.7 | Confident | 76 Ų | 76 | 88.6 Ų | 88.6 | 46% | 0.461 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 116.1 | 179 | -175.9 | 0 | 0 | 0 | 0 | 107.8 | A201 Q205 A206 | A201-V203 HydrophobicContact CB-CG2 4.49Å; V203-Q205 PolarHBondContact O-N 2.85Å; V203-A206 PolarHBondContact N-O 2.98Å; V203-A206 PolarHBondContact O-N 2.76Å; V203-A206 VanDerWaalsContact O-O 3.08Å |
| 204 | N | 63.9 | Low | 77.3 | Confident | 154 Ų | 154 | 87.9 Ų | 87.9 | 82% | 0.824 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 51.3 | 175.4 | -58.3 | -29.3 | 0 | 0 | 0 | 114.5 | A206 | N204-A206 PolarHBondContact O-N 3.35Å; N204-A206 VanDerWaalsContact O-N 3.16Å |
| 205 | Q | 69.4 | Low | 77.7 | Confident | 201 Ų | 201 | 85.9 Ų | 85.9 | 94% | 0.939 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.6 | 5.1 | -179.8 | -55.4 | 173.1 | -16.9 | 0 | 0 | 115.6 | V203 | V203-Q205 PolarHBondContact O-N 2.85Š|
| 206 | A | 63.3 | Low | 78 | Confident | 60 Ų | 60 | 87.9 Ų | 87.9 | 50% | 0.496 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 139.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | V203 N204 H208 | V203-A206 PolarHBondContact N-O 2.98Å; V203-A206 PolarHBondContact O-N 2.76Å; V203-A206 VanDerWaalsContact O-O 3.08Å; N204-A206 PolarHBondContact O-N 3.35Å; N204-A206 VanDerWaalsContact O-N 3.16Å; A206-H208 PolarHBondContact O-N 2.75Å |
| 207 | Q | 70.2 | Confident | 78 | Confident | 121 Ų | 121 | 87.6 Ų | 87.6 | 57% | 0.565 | 47% | 0.466 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81 | 108.2 | 172.9 | -173.6 | 170.8 | -26.3 | 0 | 0 | 109.1 | C200 | C200-Q207 HydrophobicContact CB-CG 4.14Å |
| 208 | H | 78.4 | Confident | 78 | Confident | 118 Ų | 118 | 78 Ų | 78 | 55% | 0.546 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 114.9 | 174.6 | -176.7 | 67.6 | 0 | 0 | 0 | 109.6 | C200 A201 A206 | C200-H208 CarbonylContact C-O 3.57Å; C200-H208 WeakPolarHBondContact CA-O 3.49Å; A201-H208 PolarHBondContact N-O 2.76Å; A201-H208 PolarHBondContact O-N 3Å; A206-H208 PolarHBondContact O-N 2.75Å |
| 209 | C | 78.3 | Confident | 77.5 | Confident | 26 Ų | 26 | 79.8 Ų | 79.8 | 18% | 0.176 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 138.9 | 176.9 | -62 | 0 | 0 | 0 | 0 | 109.9 | P198 R199 C200 M217 | P198-C209 HydrophobicContact CB-CB 4.09Å; P198-C209 HydrophobicContact CG-CB 4.37Å; R199-C209 WeakPolarHBondContact O-CA 3.39Å; C200-C209 HydrophobicContact CB-CB 4.12Å; C200-C209 WeakPolarHBondContact CB-SG 3.28Å; C200-C209 WeakPolarHBondContact SG-CB 3.36Å; C200-C209 CovalentContact SG-SG 2.04Å; C200-C209 PolarHBondContact SG-SG 3.38Å; C209-M217 HydrophobicContact CB-CE 4.2Å; C209-M217 WeakPolarHBondContact O-CE 3.47Å |
| 210 | S | 82.6 | Confident | 76.5 | Confident | 57 Ų | 57 | 76.6 Ų | 76.6 | 40% | 0.399 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 153.8 | 173 | 63.3 | 0 | 0 | 0 | 0 | 111.4 | R199 | R199-S210 PolarHBondContact N-O 2.8Å; R199-S210 PolarHBondContact O-N 2.73Å |
| 211 | C | 83.6 | Confident | 75.4 | Confident | 31 Ų | 31 | 78.3 Ų | 78.3 | 21% | 0.209 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -95.3 | 155.3 | 173.7 | -66 | 0 | 0 | 0 | 0 | 110.7 | F215 C226 | C211-F215 HydrophobicContact CB-CB 3.95Å; C211-C226 WeakPolarHBondContact CA-SG 3.48Å; C211-C226 HydrophobicContact CB-CB 3.79Å; C211-C226 WeakPolarHBondContact CB-SG 3.37Å; C211-C226 VanDerWaalsContact SG-CA 3.55Å; C211-C226 WeakPolarHBondContact SG-CB 3.47Å; C211-C226 CovalentContact SG-SG 2.03Å; C211-C226 PolarHBondContact SG-SG 2.81Å |
| 212 | D | 84.1 | Confident | 74.6 | Confident | 42 Ų | 42 | 82.9 Ų | 82.9 | 23% | 0.225 | 49% | 0.486 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 154.9 | 168.4 | -63.9 | -34.5 | 0 | 0 | 0 | 109.6 | R196 R199 F215 | R196-D212 IonicContact CZ-OD2 2.78Å; R196-D212 IonicContact NH1-OD2 3.46Å; R196-D212 PolarHBondContact NH1-OD2 2.75Å; R199-D212 IonicContact CZ-OD1 3.35Å; R199-D212 IonicContact NE-OD1 3.14Å; R199-D212 PolarHBondContact NE-OD1 2.98Å; R199-D212 VanDerWaalsContact NE-OD1 3.14Å; R199-D212 IonicContact NH2-OD1 3.4Å; R199-D212 PolarHBondContact NH2-OD1 3.44Å; R199-D212 IonicContact NH2-OD2 3.8Å; D212-F215 HydrophobicContact CB-CD2 4.22Å; D212-F215 WeakPolarHBondContact O-CB 3.47Å; D212-F215 PolarHBondContact O-N 2.85Å; D212-F215 VanDerWaalsContact O-N 3.14Å |
| 213 | A | 83.5 | Confident | 74.3 | Confident | 94 Ų | 94 | 82.4 Ų | 82.4 | 78% | 0.777 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 141.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.1 | F215 | A213-F215 VanDerWaalsContact C-N 3.3Š|
| 214 | G | 82.4 | Confident | 74.2 | Confident | 25 Ų | 25 | 79.9 Ų | 79.9 | 26% | 0.258 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.5 | -1.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | V229 | G214-V229 WeakPolarHBondContact O-CB 3.42Å; G214-V229 WeakPolarHBondContact O-CG2 3.39Å; G214-V229 PolarHBondContact O-N 3.29Å |
| 215 | F | 84.7 | Confident | 75 | Confident | 19 Ų | 19 | 75.6 Ų | 75.6 | 8% | 0.083 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 139.5 | 174.6 | -67.3 | -100.8 | 0 | 0 | 0 | 111.1 | R196 C211 D212 A213 C226 Q227 D228 P252 | R196-F215 HydrophobicContact CG-CD1 4.25Å; R196-F215 HydrophobicContact CG-CE1 4.35Å; R196-F215 VanDerWaalsContact CZ-CE2 3.49Å; R196-F215 VanDerWaalsContact CZ-CZ 3.45Å; R196-F215 VanDerWaalsContact NE-CZ 3.32Å; C211-F215 HydrophobicContact CB-CB 3.95Å; D212-F215 HydrophobicContact CB-CD2 4.22Å; D212-F215 WeakPolarHBondContact O-CB 3.47Å; D212-F215 PolarHBondContact O-N 2.85Å; D212-F215 VanDerWaalsContact O-N 3.14Å; A213-F215 VanDerWaalsContact C-N 3.3Å; F215-C226 HydrophobicContact CB-CB 3.98Å; F215-C226 HydrophobicContact CD1-CB 4.33Å; F215-C226 HydrophobicContact CG-CB 4.45Å; F215-Q227 CarbonylContact C-O 3.55Å; F215-Q227 VanDerWaalsContact CA-O 3.32Å; F215-Q227 WeakPolarHBondContact CA-O 3.44Å; F215-Q227 VanDerWaalsContact CD1-C 3.49Å; F215-D228 VanDerWaalsContact CD1-CA 3.49Å; F215-D228 HydrophobicContact CD1-CB 4.09Å; F215-D228 VanDerWaalsContact CD1-N 3.28Å; F215-D228 HydrophobicContact CE1-CB 3.68Å; F215-D228 HydrophobicContact CZ-CB 4.24Å; F215-P252 HydrophobicContact CZ-CB 4.31Å |
| 216 | H | 84.8 | Confident | 75.7 | Confident | 69 Ų | 69 | 66.1 Ų | 66.1 | 32% | 0.319 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 145.7 | 172 | 76.9 | -70.4 | 0 | 0 | 0 | 110.5 | C226 Q227 V229 | H216-C226 CarbonylContact O-C 3.58Å; H216-C226 WeakPolarHBondContact O-CA 3.31Å; H216-Q227 WeakPolarHBondContact CE1-CB 3.36Å; H216-Q227 PolarHBondContact N-O 3.32Å; H216-Q227 PolarHBondContact ND1-O 3.44Å; H216-Q227 PolarHBondContact O-N 2.67Å; H216-V229 HydrophobicContact CB-CG2 3.73Å |
| 217 | M | 80.6 | Confident | 76.7 | Confident | 82 Ų | 82 | 63.8 Ų | 63.8 | 40% | 0.404 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 126 | 178.4 | -163.4 | 174.2 | -59.8 | 0 | 0 | 109.8 | P198 C209 | P198-M217 HydrophobicContact CB-CE 4.11Å; C209-M217 HydrophobicContact CB-CE 4.2Å; C209-M217 WeakPolarHBondContact O-CE 3.47Å |
| 218 | S | 77.1 | Confident | 77.5 | Confident | 25 Ų | 25 | 58.9 Ų | 58.9 | 18% | 0.175 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 134.2 | 177.6 | -175.8 | 0 | 0 | 0 | 0 | 109.1 | P183 I225 | P183-S218 WeakPolarHBondContact CG-OG 3.38Å; S218-I225 PolarHBondContact N-O 3.05Å; S218-I225 PolarHBondContact O-N 2.79Å; S218-I225 VanDerWaalsContact O-O 3.09Å |
| 219 | G | 69.6 | Low | 77.9 | Confident | 60 Ų | 60 | 55.5 Ų | 55.5 | 62% | 0.619 | 35% | 0.349 | S | S | * | . | S | Bend | trans | 118.7 | 175.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 220 | T | 60.8 | Low | 78.3 | Confident | 105 Ų | 105 | 56.2 Ų | 56.2 | 64% | 0.644 | 35% | 0.351 | S | S | * | . | trans | -90.2 | 167.9 | 179.5 | 50.7 | 0 | 0 | 0 | 0 | 111.8 | D222 N223 S224 | T220-D222 PolarHBondContact O-N 2.74Å; T220-N223 CarbonylContact O-C 3.54Å; T220-N223 PolarHBondContact O-N 2.82Å; T220-S224 PolarHBondContact O-N 2.84Å; T220-S224 PolarHBondContact O-OG 2.68Å | ||
| 221 | S | 57.3 | Low | 78.5 | Confident | 96 Ų | 96 | 54.9 Ų | 54.9 | 67% | 0.671 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.5 | -31.4 | -173.6 | 56.4 | 0 | 0 | 0 | 0 | 115.1 | ||
| 222 | D | 61.5 | Low | 78.7 | Confident | 151 Ų | 151 | 54.3 Ų | 54.3 | 81% | 0.807 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | -13.7 | -174.8 | -58.8 | -10.2 | 0 | 0 | 0 | 112.8 | T220 | T220-D222 PolarHBondContact O-N 2.74Š|
| 223 | N | 68.9 | Low | 78.8 | Confident | 118 Ų | 118 | 55.5 Ų | 55.5 | 63% | 0.631 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -140.5 | 39.9 | -175.7 | -146.8 | 42.2 | 0 | 0 | 0 | 112.1 | T220 | T220-N223 CarbonylContact O-C 3.54Å; T220-N223 PolarHBondContact O-N 2.82Å |
| 224 | S | 73.1 | Confident | 78.7 | Confident | 24 Ų | 24 | 54.2 Ų | 54.2 | 17% | 0.168 | 32% | 0.321 | C | S | . | . | trans | -68.9 | 129.2 | 178.2 | -61.6 | 0 | 0 | 0 | 0 | 110.4 | P198 T220 | P198-S224 WeakPolarHBondContact CD-O 3.33Å; P198-S224 WeakPolarHBondContact CG-O 3.3Å; T220-S224 PolarHBondContact O-N 2.84Å; T220-S224 PolarHBondContact O-OG 2.68Å | ||
| 225 | I | 80.6 | Confident | 78.7 | Confident | 64 Ų | 64 | 57.5 Ų | 57.5 | 33% | 0.328 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 136.4 | 178.9 | -61.9 | 170.8 | 0 | 0 | 0 | 108.5 | S218 Q227 | S218-I225 PolarHBondContact N-O 3.05Å; S218-I225 PolarHBondContact O-N 2.79Å; S218-I225 VanDerWaalsContact O-O 3.09Å; I225-Q227 HydrophobicContact CG2-CG 4.19Å |
| 226 | C | 83.8 | Confident | 78.3 | Confident | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.007 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 113.3 | 170.8 | -62.5 | 0 | 0 | 0 | 0 | 108.7 | S195 R196 P198 C211 F215 H216 | S195-C226 WeakPolarHBondContact CA-O 2.86Å; R196-C226 HydrophobicContact CG-CB 3.84Å; R196-C226 PolarHBondContact N-O 2.9Å; R196-C226 WeakPolarHBondContact O-CA 3.39Å; R196-C226 WeakPolarHBondContact O-CB 3.32Å; R196-C226 PolarHBondContact O-N 2.83Å; P198-C226 WeakPolarHBondContact CA-SG 3.26Å; P198-C226 VanDerWaalsContact CB-SG 3.58Å; C211-C226 WeakPolarHBondContact CA-SG 3.48Å; C211-C226 HydrophobicContact CB-CB 3.79Å; C211-C226 WeakPolarHBondContact CB-SG 3.37Å; C211-C226 VanDerWaalsContact SG-CA 3.55Å; C211-C226 WeakPolarHBondContact SG-CB 3.47Å; C211-C226 CovalentContact SG-SG 2.03Å; C211-C226 PolarHBondContact SG-SG 2.81Å; F215-C226 HydrophobicContact CB-CB 3.98Å; F215-C226 HydrophobicContact CD1-CB 4.33Å; F215-C226 HydrophobicContact CG-CB 4.45Å; H216-C226 CarbonylContact O-C 3.58Å; H216-C226 WeakPolarHBondContact O-CA 3.31Å |
| 227 | Q | 84.3 | Confident | 77.7 | Confident | 12 Ų | 12 | 65.4 Ų | 65.4 | 6% | 0.056 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 136.2 | 176.7 | -72.8 | 174 | -16.2 | 0 | 0 | 109.3 | S187 F215 H216 I225 V229 | S187-Q227 PolarHBondContact O-NE2 3.28Å; S187-Q227 PolarHBondContact OG-NE2 2.92Å; S187-Q227 PolarHBondContact OG-OE1 2.94Å; F215-Q227 CarbonylContact C-O 3.55Å; F215-Q227 VanDerWaalsContact CA-O 3.32Å; F215-Q227 WeakPolarHBondContact CA-O 3.44Å; F215-Q227 VanDerWaalsContact CD1-C 3.49Å; H216-Q227 WeakPolarHBondContact CE1-CB 3.36Å; H216-Q227 PolarHBondContact N-O 3.32Å; H216-Q227 PolarHBondContact ND1-O 3.44Å; H216-Q227 PolarHBondContact O-N 2.67Å; I225-Q227 HydrophobicContact CG2-CG 4.19Å; Q227-V229 PolarHBondContact O-N 2.97Å |
| 228 | D | 87.4 | Confident | 76.7 | Confident | 18 Ų | 18 | 67.6 Ų | 67.6 | 10% | 0.096 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56 | 135.8 | 177 | -175.3 | 66 | 0 | 0 | 0 | 111.1 | F194 F215 N230 N250 G253 | F194-D228 HydrophobicContact CB-CB 4.09Å; F194-D228 HydrophobicContact CD1-CB 3.9Å; F194-D228 WeakPolarHBondContact CD1-OD2 3.36Å; F194-D228 WeakPolarHBondContact O-CB 3.37Å; F194-D228 PolarHBondContact O-N 2.76Å; F215-D228 VanDerWaalsContact CD1-CA 3.49Å; F215-D228 HydrophobicContact CD1-CB 4.09Å; F215-D228 VanDerWaalsContact CD1-N 3.28Å; F215-D228 HydrophobicContact CE1-CB 3.68Å; F215-D228 HydrophobicContact CZ-CB 4.24Å; D228-N230 PolarHBondContact O-N 3.07Å; D228-N250 PolarHBondContact OD2-ND2 3.07Å; D228-G253 WeakPolarHBondContact OD1-CA 2.99Å; D228-G253 PolarHBondContact OD1-N 3.02Å |
| 229 | V | 86.7 | Confident | 75.8 | Confident | 47 Ų | 47 | 73.4 Ų | 73.4 | 29% | 0.285 | 40% | 0.397 | S | S | . | . | trans | -88.2 | 102.1 | 173.6 | 179.5 | 0 | 0 | 0 | 0 | 106.9 | G214 H216 Q227 E231 V234 | G214-V229 WeakPolarHBondContact O-CB 3.42Å; G214-V229 WeakPolarHBondContact O-CG2 3.39Å; G214-V229 PolarHBondContact O-N 3.29Å; H216-V229 HydrophobicContact CB-CG2 3.73Å; Q227-V229 PolarHBondContact O-N 2.97Å; V229-E231 PolarHBondContact O-N 2.85Å; V229-E231 VanDerWaalsContact O-OE2 3.04Å; V229-V234 HydrophobicContact CG1-CG2 4.06Å | ||
| 230 | N | 86.8 | Confident | 75 | Confident | 40 Ų | 40 | 73.1 Ų | 73.1 | 21% | 0.214 | 39% | 0.394 | C | S | . | . | trans | -69.1 | 94.4 | 176.6 | -176.6 | -21.9 | 0 | 0 | 0 | 110.5 | D228 C232 E233 V234 N250 | D228-N230 PolarHBondContact O-N 3.07Å; N230-C232 PolarHBondContact O-N 2.83Å; N230-C232 VanDerWaalsContact OD1-CB 3.27Å; N230-C232 WeakPolarHBondContact OD1-CB 3.33Å; N230-C232 PolarHBondContact OD1-N 3.11Å; N230-C232 VanDerWaalsContact OD1-N 3.15Å; N230-E233 HydrophobicContact CB-CB 4.38Å; N230-E233 PolarHBondContact O-N 3.27Å; N230-E233 VanDerWaalsContact O-N 3.16Å; N230-E233 PolarHBondContact OD1-N 2.83Å; N230-E233 VanDerWaalsContact OD1-N 3.1Å; N230-V234 WeakPolarHBondContact O-CG2 3.28Å; N230-V234 PolarHBondContact O-N 2.81Å; N230-N250 WeakPolarHBondContact CA-OD1 3.46Å | ||
| 231 | E | 88.2 | Confident | 75.2 | Confident | 29 Ų | 29 | 70.5 Ų | 70.5 | 14% | 0.136 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -66.4 | -28.1 | -176.2 | -56 | 93.3 | 156 | 0 | 0 | 111.7 | V229 E233 V234 Y235 L243 N250 S254 Y255 | V229-E231 PolarHBondContact O-N 2.85Å; V229-E231 VanDerWaalsContact O-OE2 3.04Å; E231-E233 VanDerWaalsContact C-N 3.32Å; E231-E233 PolarHBondContact O-N 2.89Å; E231-V234 PolarHBondContact O-N 2.87Å; E231-Y235 HydrophobicContact CB-CD2 4.44Å; E231-Y235 WeakPolarHBondContact O-CD2 3.28Å; E231-Y235 PolarHBondContact O-N 2.78Å; E231-L243 HydrophobicContact CB-CD2 4.02Å; E231-N250 PolarHBondContact OE2-OD1 3.47Å; E231-S254 WeakPolarHBondContact OE1-CA 3.25Å; E231-S254 VanDerWaalsContact OE2-C 3.25Å; E231-Y255 HydrophobicContact CB-CD1 3.59Å; E231-Y255 HydrophobicContact CB-CE1 4.11Å; E231-Y255 HydrophobicContact CB-CG 4.19Å; E231-Y255 HydrophobicContact CG-CD1 3.8Å; E231-Y255 HydrophobicContact CG-CE1 4.26Å |
| 232 | C | 87.6 | Confident | 75.9 | Confident | 19 Ų | 19 | 73.5 Ų | 73.5 | 13% | 0.128 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 174.8 | -57.2 | 0 | 0 | 0 | 0 | 111.3 | N230 R236 C248 | N230-C232 PolarHBondContact O-N 2.83Å; N230-C232 VanDerWaalsContact OD1-CB 3.27Å; N230-C232 WeakPolarHBondContact OD1-CB 3.33Å; N230-C232 PolarHBondContact OD1-N 3.11Å; N230-C232 VanDerWaalsContact OD1-N 3.15Å; C232-R236 VanDerWaalsContact O-CB 3.24Å; C232-R236 WeakPolarHBondContact O-CB 3.45Å; C232-R236 PolarHBondContact O-N 2.76Å; C232-C248 WeakPolarHBondContact CA-SG 3.38Å; C232-C248 HydrophobicContact CB-CB 3.72Å; C232-C248 WeakPolarHBondContact CB-SG 3.26Å; C232-C248 WeakPolarHBondContact SG-CB 3.33Å; C232-C248 PolarHBondContact SG-O 3.15Å; C232-C248 CovalentContact SG-SG 2.04Å; C232-C248 PolarHBondContact SG-SG 2.92Å |
| 233 | E | 84.8 | Confident | 77 | Confident | 67 Ų | 67 | 66.9 Ų | 66.9 | 31% | 0.313 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -74.8 | -38.8 | 176.6 | -74.4 | -60 | 142.7 | 0 | 0 | 112.4 | N230 E231 Y235 R236 L237 | N230-E233 HydrophobicContact CB-CB 4.38Å; N230-E233 PolarHBondContact O-N 3.27Å; N230-E233 VanDerWaalsContact O-N 3.16Å; N230-E233 PolarHBondContact OD1-N 2.83Å; N230-E233 VanDerWaalsContact OD1-N 3.1Å; E231-E233 VanDerWaalsContact C-N 3.32Å; E231-E233 PolarHBondContact O-N 2.89Å; E233-Y235 PolarHBondContact O-N 2.75Å; E233-R236 PolarHBondContact O-N 2.97Å; E233-R236 IonicContact OE1-NE 3.8Å; E233-R236 PolarHBondContact OE1-NE 3.48Å; E233-R236 IonicContact OE2-CZ 2.88Å; E233-R236 VanDerWaalsContact OE2-CZ 3.25Å; E233-R236 IonicContact OE2-NE 3.48Å; E233-R236 PolarHBondContact OE2-NE 3.41Å; E233-R236 IonicContact OE2-NH2 3.25Å; E233-R236 PolarHBondContact OE2-NH2 2.83Å; E233-L237 VanDerWaalsContact O-CG 3.3Å; E233-L237 WeakPolarHBondContact O-CG 3.32Å; E233-L237 PolarHBondContact O-N 2.83Å; E233-L237 VanDerWaalsContact O-N 3.11Å |
| 234 | V | 82.9 | Confident | 78 | Confident | 67 Ų | 67 | 61.5 Ų | 61.5 | 41% | 0.406 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -57.9 | -52.6 | 177.7 | 172.9 | 0 | 0 | 0 | 0 | 110.5 | V229 N230 E231 R236 L237 D238 | V229-V234 HydrophobicContact CG1-CG2 4.06Å; N230-V234 WeakPolarHBondContact O-CG2 3.28Å; N230-V234 PolarHBondContact O-N 2.81Å; E231-V234 PolarHBondContact O-N 2.87Å; V234-R236 VanDerWaalsContact C-N 3.32Å; V234-R236 PolarHBondContact O-N 3.33Å; V234-L237 PolarHBondContact O-N 3.03Å; V234-D238 PolarHBondContact O-N 2.83Å; V234-D238 VanDerWaalsContact O-N 3.16Å |
| 235 | Y | 80.4 | Confident | 78.7 | Confident | 95 Ų | 95 | 62.4 Ų | 62.4 | 37% | 0.373 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -70.9 | -26.1 | 179.9 | -83.6 | -89.5 | 0 | 0 | 0 | 113.5 | E231 E233 L237 L243 | E231-Y235 HydrophobicContact CB-CD2 4.44Å; E231-Y235 WeakPolarHBondContact O-CD2 3.28Å; E231-Y235 PolarHBondContact O-N 2.78Å; E233-Y235 PolarHBondContact O-N 2.75Å; Y235-L237 VanDerWaalsContact C-N 3.25Å; Y235-L237 PolarHBondContact O-N 2.73Å; Y235-L243 HydrophobicContact CD1-CB 4.4Å; Y235-L243 HydrophobicContact CD1-CD1 4.19Å; Y235-L243 HydrophobicContact CD2-CB 4.35Å; Y235-L243 HydrophobicContact CD2-CD1 3.76Å; Y235-L243 HydrophobicContact CD2-CD2 3.71Å; Y235-L243 HydrophobicContact CD2-CG 4.16Å; Y235-L243 HydrophobicContact CE1-CD1 4.25Å; Y235-L243 HydrophobicContact CE2-CD1 3.8Å; Y235-L243 HydrophobicContact CE2-CD2 4.36Å; Y235-L243 HydrophobicContact CG-CB 3.92Å; Y235-L243 HydrophobicContact CG-CD1 3.95Å; Y235-L243 HydrophobicContact CG-CD2 4.12Å; Y235-L243 HydrophobicContact CG-CG 4.23Å |
| 236 | R | 78.3 | Confident | 79.1 | Confident | 163 Ų | 163 | 63.1 Ų | 63.1 | 62% | 0.615 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -66 | -31.6 | 173.1 | -164.7 | -176.8 | 68.5 | 70.2 | 4.7 | 111.8 | C232 E233 V234 | C232-R236 VanDerWaalsContact O-CB 3.24Å; C232-R236 WeakPolarHBondContact O-CB 3.45Å; C232-R236 PolarHBondContact O-N 2.76Å; E233-R236 PolarHBondContact O-N 2.97Å; E233-R236 IonicContact OE1-NE 3.8Å; E233-R236 PolarHBondContact OE1-NE 3.48Å; E233-R236 IonicContact OE2-CZ 2.88Å; E233-R236 VanDerWaalsContact OE2-CZ 3.25Å; E233-R236 IonicContact OE2-NE 3.48Å; E233-R236 PolarHBondContact OE2-NE 3.41Å; E233-R236 IonicContact OE2-NH2 3.25Å; E233-R236 PolarHBondContact OE2-NH2 2.83Å; V234-R236 VanDerWaalsContact C-N 3.32Å; V234-R236 PolarHBondContact O-N 3.33Å |
| 237 | L | 71.2 | Confident | 79.3 | Confident | 91 Ų | 91 | 68.1 Ų | 68.1 | 48% | 0.476 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -86.9 | -30.2 | -177.8 | -68.5 | 168.3 | 0 | 0 | 0 | 113.3 | E233 V234 Y235 Q239 | E233-L237 VanDerWaalsContact O-CG 3.3Å; E233-L237 WeakPolarHBondContact O-CG 3.32Å; E233-L237 PolarHBondContact O-N 2.83Å; E233-L237 VanDerWaalsContact O-N 3.11Å; V234-L237 PolarHBondContact O-N 3.03Å; Y235-L237 VanDerWaalsContact C-N 3.25Å; Y235-L237 PolarHBondContact O-N 2.73Å; L237-Q239 PolarHBondContact O-N 3.25Å |
| 238 | D | 60.2 | Low | 79.7 | Confident | 127 Ų | 127 | 69.4 Ų | 69.4 | 68% | 0.679 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -84.6 | 8.1 | -165.5 | -126.9 | 8.9 | 0 | 0 | 0 | 116.4 | V234 G240 | V234-D238 PolarHBondContact O-N 2.83Å; V234-D238 VanDerWaalsContact O-N 3.16Å; D238-G240 PolarHBondContact O-N 2.95Å |
| 239 | Q | 57.6 | Low | 79.9 | Confident | 147 Ų | 147 | 70.8 Ų | 70.8 | 69% | 0.687 | 37% | 0.373 | S | S | * | . | trans | 51.9 | -0.8 | -173.4 | -63 | -164.5 | -12.3 | 0 | 0 | 115.9 | L237 G241 | L237-Q239 PolarHBondContact O-N 3.25Å; Q239-G241 PolarHBondContact O-N 2.77Å | ||
| 240 | G | 53.3 | Low | 80.1 | Confident | 54 Ų | 54 | 70.1 Ų | 70.1 | 56% | 0.557 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -80 | 47.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | D238 | D238-G240 PolarHBondContact O-N 2.95Š|
| 241 | G | 63.5 | Low | 80.2 | Confident | 50 Ų | 50 | 70.4 Ų | 70.4 | 52% | 0.515 | 37% | 0.371 | S | S | . | . | trans | 74.7 | 165.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q239 L243 | Q239-G241 PolarHBondContact O-N 2.77Å; G241-L243 PolarHBondContact O-N 2.96Å | ||
| 242 | K | 73.3 | Confident | 80.2 | Confident | 160 Ų | 160 | 71.9 Ų | 71.9 | 70% | 0.696 | 38% | 0.384 | S | S | * | . | trans | -75.2 | 121.6 | 173.8 | -68.4 | -176.2 | 174.7 | -176.9 | 0 | 109.2 | C244 | K242-C244 VanDerWaalsContact C-N 3.26Å; K242-C244 WeakPolarHBondContact CB-O 3.23Å; K242-C244 PolarHBondContact O-N 3.39Å | ||
| 243 | L | 85.1 | Confident | 80.1 | Confident | 11 Ų | 11 | 71.9 Ų | 71.9 | 6% | 0.058 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -56.3 | -41.2 | 177.1 | -176.6 | 57.2 | 0 | 0 | 0 | 112.5 | E231 Y235 G241 Y255 R270 | E231-L243 HydrophobicContact CB-CD2 4.02Å; Y235-L243 HydrophobicContact CD1-CB 4.4Å; Y235-L243 HydrophobicContact CD1-CD1 4.19Å; Y235-L243 HydrophobicContact CD2-CB 4.35Å; Y235-L243 HydrophobicContact CD2-CD1 3.76Å; Y235-L243 HydrophobicContact CD2-CD2 3.71Å; Y235-L243 HydrophobicContact CD2-CG 4.16Å; Y235-L243 HydrophobicContact CE1-CD1 4.25Å; Y235-L243 HydrophobicContact CE2-CD1 3.8Å; Y235-L243 HydrophobicContact CE2-CD2 4.36Å; Y235-L243 HydrophobicContact CG-CB 3.92Å; Y235-L243 HydrophobicContact CG-CD1 3.95Å; Y235-L243 HydrophobicContact CG-CD2 4.12Å; Y235-L243 HydrophobicContact CG-CG 4.23Å; G241-L243 PolarHBondContact O-N 2.96Å; L243-Y255 HydrophobicContact CD1-CE1 4.42Å; L243-Y255 HydrophobicContact CD1-CE2 3.72Å; L243-Y255 WeakPolarHBondContact CD1-OH 3.33Å; L243-Y255 HydrophobicContact CD2-CD1 4.19Å; L243-Y255 HydrophobicContact CD2-CD2 3.59Å; L243-Y255 HydrophobicContact CD2-CE1 4.13Å; L243-Y255 HydrophobicContact CD2-CE2 3.52Å; L243-Y255 HydrophobicContact CD2-CG 3.94Å; L243-Y255 HydrophobicContact CG-CD2 3.99Å; L243-Y255 HydrophobicContact CG-CE2 3.49Å; L243-Y255 VanDerWaalsContact CG-CE2 3.49Å; L243-R270 WeakPolarHBondContact O-CD 3.47Å; L243-R270 WeakPolarHBondContact O-CG 3.47Å |
| 244 | C | 88.9 | Confident | 80.3 | Confident | 6 Ų | 6 | 71.3 Ų | 71.3 | 4% | 0.041 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -119.1 | 144.7 | 175 | -58.2 | 0 | 0 | 0 | 0 | 109 | K242 H246 E247 C248 C257 | K242-C244 VanDerWaalsContact C-N 3.26Å; K242-C244 WeakPolarHBondContact CB-O 3.23Å; K242-C244 PolarHBondContact O-N 3.39Å; C244-H246 PolarHBondContact O-N 3.01Å; C244-E247 WeakPolarHBondContact CB-O 3.26Å; C244-C248 HydrophobicContact CB-CB 4.17Å; C244-C248 VanDerWaalsContact SG-CB 3.5Å; C244-C257 VanDerWaalsContact CA-SG 3.5Å; C244-C257 HydrophobicContact CB-CB 3.56Å; C244-C257 WeakPolarHBondContact CB-SG 3.49Å; C244-C257 WeakPolarHBondContact SG-CA 3.43Å; C244-C257 WeakPolarHBondContact SG-CB 3.14Å; C244-C257 CovalentContact SG-SG 2.02Å; C244-C257 PolarHBondContact SG-SG 3.33Å |
| 245 | V | 88.5 | Confident | 80.8 | Confident | 42 Ų | 42 | 70.6 Ų | 70.6 | 26% | 0.255 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -61.8 | -36.1 | 177 | 165.8 | 0 | 0 | 0 | 0 | 111.7 | R270 F443 | V245-R270 PolarHBondContact N-O 2.97Å; V245-F443 HydrophobicContact CG1-CB 3.47Å; V245-F443 VanDerWaalsContact CG1-CB 3.47Å; V245-F443 HydrophobicContact CG1-CD1 3.63Å; V245-F443 HydrophobicContact CG1-CD2 3.64Å; V245-F443 HydrophobicContact CG1-CE1 4.24Å; V245-F443 HydrophobicContact CG1-CE2 4.25Å; V245-F443 HydrophobicContact CG1-CG 3.29Å |
| 246 | H | 87.7 | Confident | 81.3 | Confident | 79 Ų | 79 | 70.4 Ų | 70.4 | 37% | 0.366 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -116.8 | -94.2 | 178.4 | -171.4 | 56.9 | 0 | 0 | 0 | 113.4 | C244 P260 Y441 F443 | C244-H246 PolarHBondContact O-N 3.01Å; H246-P260 VanDerWaalsContact CD2-CD 3.45Å; H246-P260 WeakPolarHBondContact CD2-CD 3.42Å; H246-Y441 AromaticContact CE1-CE1 3.87Å; H246-F443 HydrophobicContact CB-CE1 3.8Å; H246-F443 HydrophobicContact CB-CZ 4.01Å; H246-F443 AromaticContact CG-CE1 3.99Å; H246-F443 AromaticContact ND1-CE1 3.72Å |
| 247 | E | 89.7 | Confident | 82.1 | Confident | 107 Ų | 107 | 62.9 Ų | 62.9 | 50% | 0.5 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 138.1 | -173.9 | 179.6 | 177.5 | -151.6 | 0 | 0 | 110 | C244 V249 C257 S258 | C244-E247 WeakPolarHBondContact CB-O 3.26Å; E247-V249 HydrophobicContact CG-CG2 4.2Å; E247-C257 WeakPolarHBondContact O-CA 3.45Å; E247-S258 VanDerWaalsContact CB-OG 3.28Å; E247-S258 WeakPolarHBondContact CB-OG 3.1Å; E247-S258 WeakPolarHBondContact CG-OG 3.37Å; E247-S258 PolarHBondContact N-O 2.88Å; E247-S258 PolarHBondContact O-N 2.8Å; E247-S258 PolarHBondContact OE2-OG 2.81Å |
| 248 | C | 91.7 | Very high | 83.2 | Confident | 38 Ų | 38 | 59.9 Ų | 59.9 | 26% | 0.257 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 124.2 | 175.3 | -174.7 | 0 | 0 | 0 | 0 | 108.4 | C232 C244 | C232-C248 WeakPolarHBondContact CA-SG 3.38Å; C232-C248 HydrophobicContact CB-CB 3.72Å; C232-C248 WeakPolarHBondContact CB-SG 3.26Å; C232-C248 WeakPolarHBondContact SG-CB 3.33Å; C232-C248 PolarHBondContact SG-O 3.15Å; C232-C248 CovalentContact SG-SG 2.04Å; C232-C248 PolarHBondContact SG-SG 2.92Å; C244-C248 HydrophobicContact CB-CB 4.17Å; C244-C248 VanDerWaalsContact SG-CB 3.5Å |
| 249 | V | 92 | Very high | 84.8 | Confident | 47 Ų | 47 | 55.2 Ų | 55.2 | 29% | 0.285 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 114.3 | -179.8 | -176.9 | 0 | 0 | 0 | 0 | 108.6 | E247 Y255 H256 | E247-V249 HydrophobicContact CG-CG2 4.2Å; V249-Y255 WeakPolarHBondContact O-CA 3.03Å; V249-H256 VanDerWaalsContact CB-CE1 3.47Å; V249-H256 WeakPolarHBondContact CB-CE1 3.47Å; V249-H256 VanDerWaalsContact CG1-CE1 3.44Å; V249-H256 WeakPolarHBondContact CG1-CE1 3.46Å; V249-H256 PolarHBondContact N-O 3.37Å; V249-H256 PolarHBondContact O-N 3.24Å; V249-H256 PolarHBondContact O-ND1 3.03Å |
| 250 | N | 89.5 | Confident | 86.4 | Confident | 33 Ų | 33 | 48.8 Ų | 48.8 | 18% | 0.176 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 133.3 | 176.5 | -167.4 | 50.3 | 0 | 0 | 0 | 110.5 | D228 N230 E231 S254 | D228-N250 PolarHBondContact OD2-ND2 3.07Å; N230-N250 WeakPolarHBondContact CA-OD1 3.46Å; E231-N250 PolarHBondContact OE2-OD1 3.47Å; N250-S254 PolarHBondContact OD1-O 3.37Å |
| 251 | V | 90.4 | Very high | 88.2 | Confident | 46 Ų | 46 | 51.5 Ų | 51.5 | 28% | 0.279 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 155.3 | 176.4 | -64.7 | 0 | 0 | 0 | 0 | 109.6 | G253 S254 H256 | V251-G253 PolarHBondContact O-N 3.36Å; V251-S254 CarbonylContact C-O 3.53Å; V251-S254 VanDerWaalsContact CG2-C 3.46Å; V251-S254 VanDerWaalsContact CG2-O 3.23Å; V251-S254 WeakPolarHBondContact CG2-O 3.03Å; V251-S254 PolarHBondContact N-O 2.98Å; V251-S254 CarbonylContact O-C 3.54Å; V251-S254 PolarHBondContact O-N 3.4Å; V251-H256 WeakPolarHBondContact CG1-ND1 3.46Å |
| 252 | P | 87.4 | Confident | 89.4 | Confident | 61 Ų | 61 | 50.2 Ų | 50.2 | 40% | 0.396 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 114.5 | 179.6 | -32.3 | 39.4 | 0 | 0 | 0 | 114.2 | A193 F194 F215 S254 | A193-P252 HydrophobicContact CB-CG 4.01Å; A193-P252 WeakPolarHBondContact O-CB 3.32Å; A193-P252 WeakPolarHBondContact O-CG 3.28Å; F194-P252 HydrophobicContact CD1-CG 4.23Å; F194-P252 HydrophobicContact CE1-CG 3.96Å; F194-P252 HydrophobicContact CE2-CG 4.43Å; F194-P252 HydrophobicContact CZ-CG 4.07Å; F215-P252 HydrophobicContact CZ-CB 4.31Å; P252-S254 VanDerWaalsContact C-N 3.34Å |
| 253 | G | 85.8 | Confident | 90.4 | Very high | 18 Ų | 18 | 44 Ų | 44 | 19% | 0.186 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | 5.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | D228 V251 | D228-G253 WeakPolarHBondContact OD1-CA 2.99Å; D228-G253 PolarHBondContact OD1-N 3.02Å; V251-G253 PolarHBondContact O-N 3.36Å |
| 254 | S | 89.9 | Confident | 90.7 | Very high | 55 Ų | 55 | 48.5 Ų | 48.5 | 39% | 0.385 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.7 | -168.9 | -179.8 | -154 | 0 | 0 | 0 | 0 | 113.1 | E231 N250 V251 P252 | E231-S254 WeakPolarHBondContact OE1-CA 3.25Å; E231-S254 VanDerWaalsContact OE2-C 3.25Å; N250-S254 PolarHBondContact OD1-O 3.37Å; V251-S254 CarbonylContact C-O 3.53Å; V251-S254 VanDerWaalsContact CG2-C 3.46Å; V251-S254 VanDerWaalsContact CG2-O 3.23Å; V251-S254 WeakPolarHBondContact CG2-O 3.03Å; V251-S254 PolarHBondContact N-O 2.98Å; V251-S254 CarbonylContact O-C 3.54Å; V251-S254 PolarHBondContact O-N 3.4Å; P252-S254 VanDerWaalsContact C-N 3.34Å |
| 255 | Y | 91.5 | Very high | 91 | Very high | 53 Ų | 53 | 51.7 Ų | 51.7 | 21% | 0.208 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 162.7 | 169.8 | 66.5 | -77.2 | 0 | 0 | 0 | 108.9 | E231 L243 V249 R270 | E231-Y255 HydrophobicContact CB-CD1 3.59Å; E231-Y255 HydrophobicContact CB-CE1 4.11Å; E231-Y255 HydrophobicContact CB-CG 4.19Å; E231-Y255 HydrophobicContact CG-CD1 3.8Å; E231-Y255 HydrophobicContact CG-CE1 4.26Å; L243-Y255 HydrophobicContact CD1-CE1 4.42Å; L243-Y255 HydrophobicContact CD1-CE2 3.72Å; L243-Y255 WeakPolarHBondContact CD1-OH 3.33Å; L243-Y255 HydrophobicContact CD2-CD1 4.19Å; L243-Y255 HydrophobicContact CD2-CD2 3.59Å; L243-Y255 HydrophobicContact CD2-CE1 4.13Å; L243-Y255 HydrophobicContact CD2-CE2 3.52Å; L243-Y255 HydrophobicContact CD2-CG 3.94Å; L243-Y255 HydrophobicContact CG-CD2 3.99Å; L243-Y255 HydrophobicContact CG-CE2 3.49Å; L243-Y255 VanDerWaalsContact CG-CE2 3.49Å; V249-Y255 WeakPolarHBondContact O-CA 3.03Å; Y255-R270 PolarHBondContact OH-NH2 2.04Å |
| 256 | H | 92.8 | Very high | 91.3 | Very high | 91 Ų | 91 | 52.5 Ų | 52.5 | 42% | 0.421 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 151.3 | 163.5 | 68.5 | -70.9 | 0 | 0 | 0 | 110.1 | V249 V251 | V249-H256 VanDerWaalsContact CB-CE1 3.47Å; V249-H256 WeakPolarHBondContact CB-CE1 3.47Å; V249-H256 VanDerWaalsContact CG1-CE1 3.44Å; V249-H256 WeakPolarHBondContact CG1-CE1 3.46Å; V249-H256 PolarHBondContact N-O 3.37Å; V249-H256 PolarHBondContact O-N 3.24Å; V249-H256 PolarHBondContact O-ND1 3.03Å; V251-H256 WeakPolarHBondContact CG1-ND1 3.46Å |
| 257 | C | 94.6 | Very high | 91.5 | Very high | 5 Ų | 5 | 55.3 Ų | 55.3 | 3% | 0.034 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 138.8 | 175.1 | -57.7 | 0 | 0 | 0 | 0 | 110.1 | C244 E247 L265 G269 | C244-C257 VanDerWaalsContact CA-SG 3.5Å; C244-C257 HydrophobicContact CB-CB 3.56Å; C244-C257 WeakPolarHBondContact CB-SG 3.49Å; C244-C257 WeakPolarHBondContact SG-CA 3.43Å; C244-C257 WeakPolarHBondContact SG-CB 3.14Å; C244-C257 CovalentContact SG-SG 2.02Å; C244-C257 PolarHBondContact SG-SG 3.33Å; E247-C257 WeakPolarHBondContact O-CA 3.45Å; C257-L265 HydrophobicContact CB-CD1 3.89Å; C257-L265 WeakPolarHBondContact O-CD2 3.48Å; C257-G269 VanDerWaalsContact CB-O 3.25Å; C257-G269 WeakPolarHBondContact CB-O 3.44Å; C257-G269 PolarHBondContact SG-O 3.4Å |
| 258 | S | 93.3 | Very high | 91.6 | Very high | 27 Ų | 27 | 54 Ų | 54 | 19% | 0.189 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 141 | 173 | 55.9 | 0 | 0 | 0 | 0 | 110.4 | E247 | E247-S258 VanDerWaalsContact CB-OG 3.28Å; E247-S258 WeakPolarHBondContact CB-OG 3.1Å; E247-S258 WeakPolarHBondContact CG-OG 3.37Å; E247-S258 PolarHBondContact N-O 2.88Å; E247-S258 PolarHBondContact O-N 2.8Å; E247-S258 PolarHBondContact OE2-OG 2.81Å |
| 259 | C | 93.8 | Very high | 91.6 | Very high | 29 Ų | 29 | 53.6 Ų | 53.6 | 20% | 0.196 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -101.3 | 150.5 | 177.5 | -66.2 | 0 | 0 | 0 | 0 | 110.4 | C272 | C259-C272 WeakPolarHBondContact CA-SG 3.33Å; C259-C272 HydrophobicContact CB-CB 3.88Å; C259-C272 WeakPolarHBondContact CB-SG 3.34Å; C259-C272 WeakPolarHBondContact SG-CA 3.44Å; C259-C272 WeakPolarHBondContact SG-CB 3.19Å; C259-C272 CovalentContact SG-SG 2.04Å; C259-C272 PolarHBondContact SG-SG 3.45Å |
| 260 | P | 92 | Very high | 91.5 | Very high | 13 Ų | 13 | 56.1 Ų | 56.1 | 8% | 0.084 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 168.1 | 177 | 23.1 | -22.2 | 0 | 0 | 0 | 111.2 | H246 G262 Y263 Y441 F443 | H246-P260 VanDerWaalsContact CD2-CD 3.45Å; H246-P260 WeakPolarHBondContact CD2-CD 3.42Å; P260-G262 PolarHBondContact O-N 2.85Å; P260-Y263 HydrophobicContact CB-CD2 4.41Å; P260-Y263 HydrophobicContact CG-CD2 3.67Å; P260-Y263 HydrophobicContact CG-CE2 4.14Å; P260-Y263 HydrophobicContact CG-CG 4.23Å; P260-Y263 WeakPolarHBondContact O-CB 3.49Å; P260-Y263 PolarHBondContact O-N 2.82Å; P260-Y441 HydrophobicContact CB-CE1 3.77Å; P260-Y441 HydrophobicContact CB-CE2 4.06Å; P260-Y441 VanDerWaalsContact CB-CZ 3.45Å; P260-Y441 WeakPolarHBondContact CB-OH 3.39Å; P260-Y441 HydrophobicContact CG-CD1 4.17Å; P260-Y441 HydrophobicContact CG-CD2 4.34Å; P260-Y441 HydrophobicContact CG-CE1 3.8Å; P260-Y441 HydrophobicContact CG-CE2 3.99Å; P260-Y441 HydrophobicContact CG-CG 4.44Å; P260-F443 HydrophobicContact CG-CZ 3.72Å |
| 261 | S | 90.1 | Very high | 91.6 | Very high | 110 Ų | 110 | 56.3 Ų | 56.3 | 77% | 0.769 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 137.3 | 175.5 | -63.3 | 0 | 0 | 0 | 0 | 111.1 | Y263 | S261-Y263 VanDerWaalsContact C-N 3.32Š|
| 262 | G | 89.9 | Confident | 91.7 | Very high | 24 Ų | 24 | 55 Ų | 55 | 25% | 0.247 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.5 | -0.6 | -175 | 0 | 0 | 0 | 0 | 0 | 114.4 | P260 V275 | P260-G262 PolarHBondContact O-N 2.85Å; G262-V275 WeakPolarHBondContact O-CB 3.37Å; G262-V275 WeakPolarHBondContact O-CG2 3.4Å; G262-V275 PolarHBondContact O-N 2.81Å |
| 263 | Y | 93 | Very high | 91.9 | Very high | 28 Ų | 28 | 56.1 Ų | 56.1 | 11% | 0.11 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 152.3 | 176.6 | -65.4 | -100.1 | 0 | 0 | 0 | 111.4 | P260 S261 C272 E273 D274 G295 G296 Y441 F443 | P260-Y263 HydrophobicContact CB-CD2 4.41Å; P260-Y263 HydrophobicContact CG-CD2 3.67Å; P260-Y263 HydrophobicContact CG-CE2 4.14Å; P260-Y263 HydrophobicContact CG-CG 4.23Å; P260-Y263 WeakPolarHBondContact O-CB 3.49Å; P260-Y263 PolarHBondContact O-N 2.82Å; S261-Y263 VanDerWaalsContact C-N 3.32Å; Y263-C272 HydrophobicContact CD1-CB 4.29Å; Y263-E273 CarbonylContact C-O 3.51Å; Y263-E273 VanDerWaalsContact CA-O 3.3Å; Y263-E273 WeakPolarHBondContact CA-O 3.15Å; Y263-D274 HydrophobicContact CD1-CB 4.07Å; Y263-D274 HydrophobicContact CE1-CB 3.82Å; Y263-G295 VanDerWaalsContact OH-C 3.22Å; Y263-G295 VanDerWaalsContact OH-CA 3.31Å; Y263-G295 WeakPolarHBondContact OH-CA 3.44Å; Y263-G296 PolarHBondContact OH-N 3.05Å; Y263-Y441 AromaticContact CE2-CD2 3.72Å; Y263-Y441 HydrophobicContact CE2-CD2 3.72Å; Y263-Y441 AromaticContact CE2-CE2 3.87Å; Y263-Y441 HydrophobicContact CE2-CE2 3.87Å; Y263-F443 AromaticContact CD1-CE2 3.85Å; Y263-F443 HydrophobicContact CD1-CE2 3.85Å; Y263-F443 HydrophobicContact CE1-CD2 4.39Å; Y263-F443 AromaticContact CE1-CE2 3.72Å; Y263-F443 HydrophobicContact CE1-CE2 3.72Å; Y263-F443 HydrophobicContact CG-CE2 4.4Å |
| 264 | K | 92.7 | Very high | 92.2 | Very high | 106 Ų | 106 | 57 Ų | 57 | 46% | 0.461 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 148.2 | 174.3 | 59.9 | 175.3 | 177.7 | 162.4 | 0 | 110.5 | C272 E273 V275 | K264-C272 WeakPolarHBondContact O-CA 3.36Å; K264-E273 WeakPolarHBondContact CE-OE2 3.46Å; K264-E273 HydrophobicContact CG-CB 4.37Å; K264-E273 PolarHBondContact N-O 3.14Å; K264-E273 IonicContact NZ-OE2 2.79Å; K264-E273 PolarHBondContact NZ-OE2 3.39Å; K264-E273 PolarHBondContact O-N 3Å; K264-V275 HydrophobicContact CB-CG2 4.07Å; K264-V275 HydrophobicContact CD-CG2 4.39Å; K264-V275 HydrophobicContact CG-CG2 4.02Å |
| 265 | L | 94.6 | Very high | 92.3 | Very high | 73 Ų | 73 | 56.3 Ų | 56.3 | 38% | 0.382 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 131.7 | 176.5 | -163.8 | 70.1 | 0 | 0 | 0 | 109.9 | C257 | C257-L265 HydrophobicContact CB-CD1 3.89Å; C257-L265 WeakPolarHBondContact O-CD2 3.48Å |
| 266 | L | 94.1 | Very high | 92.4 | Very high | 59 Ų | 59 | 55.9 Ų | 55.9 | 31% | 0.309 | 32% | 0.317 | S | S | . | . | trans | -74.2 | 165.3 | 175.9 | -80.3 | 170.5 | 0 | 0 | 0 | 111.3 | D268 G269 S271 E273 | L266-D268 WeakPolarHBondContact CB-OD1 3.37Å; L266-D268 PolarHBondContact O-N 2.92Å; L266-G269 PolarHBondContact O-N 2.98Å; L266-S271 WeakPolarHBondContact CB-O 3.31Å; L266-S271 PolarHBondContact N-O 2.82Å; L266-E273 HydrophobicContact CD1-CB 4.18Å; L266-E273 HydrophobicContact CD2-CB 3.96Å; L266-E273 HydrophobicContact CG-CB 3.9Å | ||
| 267 | P | 93.8 | Very high | 92.4 | Very high | 138 Ų | 138 | 52.7 Ų | 52.7 | 90% | 0.896 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -15.6 | 179.9 | -23.9 | 34.5 | 0 | 0 | 0 | 114.6 | G269 | P267-G269 PolarHBondContact O-N 3.28Š|
| 268 | D | 91.8 | Very high | 92.3 | Very high | 80 Ų | 80 | 53.5 Ų | 53.5 | 43% | 0.428 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -11.1 | 172.9 | 70.7 | -20.5 | 0 | 0 | 0 | 112.9 | L266 R270 S271 | L266-D268 WeakPolarHBondContact CB-OD1 3.37Å; L266-D268 PolarHBondContact O-N 2.92Å; D268-R270 PolarHBondContact O-N 2.85Å; D268-R270 PolarHBondContact OD1-N 3.44Å; D268-R270 VanDerWaalsContact OD1-N 3.12Å; D268-S271 PolarHBondContact OD1-N 3.14Å; D268-S271 WeakPolarHBondContact OD2-CB 3.37Å; D268-S271 PolarHBondContact OD2-N 2.94Å; D268-S271 VanDerWaalsContact OD2-N 3.14Å; D268-S271 PolarHBondContact OD2-OG 3.05Å |
| 269 | G | 90.6 | Very high | 92.3 | Very high | 29 Ų | 29 | 58.7 Ų | 58.7 | 30% | 0.299 | 33% | 0.332 | S | S | . | . | S | Bend | trans | 68.6 | 11.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | C257 L266 P267 | C257-G269 VanDerWaalsContact CB-O 3.25Å; C257-G269 WeakPolarHBondContact CB-O 3.44Å; C257-G269 PolarHBondContact SG-O 3.4Å; L266-G269 PolarHBondContact O-N 2.98Å; P267-G269 PolarHBondContact O-N 3.28Å |
| 270 | R | 90.3 | Very high | 92 | Very high | 101 Ų | 101 | 60.3 Ų | 60.3 | 38% | 0.381 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -134.7 | -32.3 | -171.7 | -68 | 179.8 | 176.4 | -175.8 | -2.6 | 114 | L243 V245 Y255 D268 | L243-R270 WeakPolarHBondContact O-CD 3.47Å; L243-R270 WeakPolarHBondContact O-CG 3.47Å; V245-R270 PolarHBondContact N-O 2.97Å; Y255-R270 PolarHBondContact OH-NH2 2.04Å; D268-R270 PolarHBondContact O-N 2.85Å; D268-R270 PolarHBondContact OD1-N 3.44Å; D268-R270 VanDerWaalsContact OD1-N 3.12Å |
| 271 | S | 91.1 | Very high | 91.5 | Very high | 36 Ų | 36 | 66.4 Ų | 66.4 | 25% | 0.252 | 37% | 0.371 | S | S | . | . | trans | -97.3 | 146.7 | -176.1 | -58.8 | 0 | 0 | 0 | 0 | 111.7 | L266 D268 | L266-S271 WeakPolarHBondContact CB-O 3.31Å; L266-S271 PolarHBondContact N-O 2.82Å; D268-S271 PolarHBondContact OD1-N 3.14Å; D268-S271 WeakPolarHBondContact OD2-CB 3.37Å; D268-S271 PolarHBondContact OD2-N 2.94Å; D268-S271 VanDerWaalsContact OD2-N 3.14Å; D268-S271 PolarHBondContact OD2-OG 3.05Å | ||
| 272 | C | 92.3 | Very high | 91.3 | Very high | 18 Ų | 18 | 68.2 Ų | 68.2 | 12% | 0.122 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 128.6 | 178 | -63.3 | 0 | 0 | 0 | 0 | 109.8 | C259 Y263 K264 F443 | C259-C272 WeakPolarHBondContact CA-SG 3.33Å; C259-C272 HydrophobicContact CB-CB 3.88Å; C259-C272 WeakPolarHBondContact CB-SG 3.34Å; C259-C272 WeakPolarHBondContact SG-CA 3.44Å; C259-C272 WeakPolarHBondContact SG-CB 3.19Å; C259-C272 CovalentContact SG-SG 2.04Å; C259-C272 PolarHBondContact SG-SG 3.45Å; Y263-C272 HydrophobicContact CD1-CB 4.29Å; K264-C272 WeakPolarHBondContact O-CA 3.36Å; C272-F443 HydrophobicContact CB-CD2 4.33Å; C272-F443 HydrophobicContact CB-CE2 3.72Å; C272-F443 HydrophobicContact CB-CZ 4.31Å |
| 273 | E | 91.2 | Very high | 91.1 | Very high | 85 Ų | 85 | 68.6 Ų | 68.6 | 40% | 0.397 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 135.3 | 172.7 | -176.1 | 179 | -135.7 | 0 | 0 | 109.3 | Y263 K264 L266 | Y263-E273 CarbonylContact C-O 3.51Å; Y263-E273 VanDerWaalsContact CA-O 3.3Å; Y263-E273 WeakPolarHBondContact CA-O 3.15Å; K264-E273 WeakPolarHBondContact CE-OE2 3.46Å; K264-E273 HydrophobicContact CG-CB 4.37Å; K264-E273 PolarHBondContact N-O 3.14Å; K264-E273 IonicContact NZ-OE2 2.79Å; K264-E273 PolarHBondContact NZ-OE2 3.39Å; K264-E273 PolarHBondContact O-N 3Å; L266-E273 HydrophobicContact CD1-CB 4.18Å; L266-E273 HydrophobicContact CD2-CB 3.96Å; L266-E273 HydrophobicContact CG-CB 3.9Å |
| 274 | D | 92.3 | Very high | 90.9 | Very high | 38 Ų | 38 | 74.5 Ų | 74.5 | 20% | 0.203 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.2 | 138.3 | 175.9 | -175.9 | 70.5 | 0 | 0 | 0 | 111.2 | Y263 D276 N293 G296 | Y263-D274 HydrophobicContact CD1-CB 4.07Å; Y263-D274 HydrophobicContact CE1-CB 3.82Å; D274-D276 PolarHBondContact O-N 2.84Å; D274-N293 PolarHBondContact OD2-ND2 2.86Å; D274-G296 PolarHBondContact OD1-N 3.46Å |
| 275 | V | 92.4 | Very high | 90.9 | Very high | 39 Ų | 39 | 70.6 Ų | 70.6 | 24% | 0.236 | 38% | 0.38 | C | S | . | . | trans | -89.9 | 102.9 | 177.6 | 178.4 | 0 | 0 | 0 | 0 | 108.5 | G262 K264 E277 | G262-V275 WeakPolarHBondContact O-CB 3.37Å; G262-V275 WeakPolarHBondContact O-CG2 3.4Å; G262-V275 PolarHBondContact O-N 2.81Å; K264-V275 HydrophobicContact CB-CG2 4.07Å; K264-V275 HydrophobicContact CD-CG2 4.39Å; K264-V275 HydrophobicContact CG-CG2 4.02Å; V275-E277 PolarHBondContact O-N 2.99Å; V275-E277 VanDerWaalsContact O-OE2 3.08Å | ||
| 276 | D | 93.7 | Very high | 90.8 | Very high | 45 Ų | 45 | 71.5 Ų | 71.5 | 24% | 0.241 | 39% | 0.392 | C | S | . | . | trans | -68.9 | 98.8 | 177.3 | -168.2 | -34.8 | 0 | 0 | 0 | 111.3 | D274 C278 L279 S280 | D274-D276 PolarHBondContact O-N 2.84Å; D276-C278 VanDerWaalsContact C-N 3.26Å; D276-C278 PolarHBondContact O-N 3.47Å; D276-C278 WeakPolarHBondContact OD1-CA 3.45Å; D276-C278 VanDerWaalsContact OD1-CB 3.24Å; D276-C278 WeakPolarHBondContact OD1-CB 3.04Å; D276-C278 PolarHBondContact OD1-N 2.95Å; D276-L279 HydrophobicContact CB-CB 4.16Å; D276-L279 HydrophobicContact CB-CD1 4.07Å; D276-L279 HydrophobicContact CB-CG 4.23Å; D276-L279 VanDerWaalsContact CG-CG 3.5Å; D276-L279 PolarHBondContact OD1-N 2.87Å; D276-L279 VanDerWaalsContact OD2-CD1 3.28Å; D276-L279 WeakPolarHBondContact OD2-CD1 3.41Å; D276-L279 WeakPolarHBondContact OD2-CG 3.02Å; D276-S280 VanDerWaalsContact O-CB 3.3Å; D276-S280 WeakPolarHBondContact O-CB 3.36Å; D276-S280 PolarHBondContact O-N 2.02Å; D276-S280 PolarHBondContact O-OG 3.35Å | ||
| 277 | E | 93.5 | Very high | 90.4 | Very high | 24 Ų | 24 | 80.9 Ų | 80.9 | 11% | 0.112 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -20.6 | 179.3 | -55.4 | 92.3 | 165.7 | 0 | 0 | 112.7 | V275 Q281 K282 H283 N293 G297 F298 | V275-E277 PolarHBondContact O-N 2.99Å; V275-E277 VanDerWaalsContact O-OE2 3.08Å; E277-Q281 PolarHBondContact O-N 2.03Å; E277-Q281 VanDerWaalsContact O-N 3.11Å; E277-K282 HydrophobicContact CB-CB 4.32Å; E277-K282 PolarHBondContact O-N 3.46Å; E277-H283 HydrophobicContact CB-CB 4.41Å; E277-H283 PolarHBondContact O-CD2 3.25Å; E277-H283 PolarHBondContact O-N 2.87Å; E277-N293 PolarHBondContact OE2-OD1 3.47Å; E277-G297 WeakPolarHBondContact OE1-CA 3.34Å; E277-F298 HydrophobicContact CB-CB 4.32Å; E277-F298 HydrophobicContact CB-CD1 3.57Å; E277-F298 HydrophobicContact CB-CE1 4.26Å; E277-F298 HydrophobicContact CB-CG 4.14Å; E277-F298 HydrophobicContact CG-CD1 3.81Å; E277-F298 HydrophobicContact CG-CE1 4.41Å; E277-F298 PolarHBondContact OE2-N 2.84Å |
| 278 | C | 92.6 | Very high | 90 | Very high | 21 Ų | 21 | 77.5 Ų | 77.5 | 14% | 0.142 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -44.6 | 175.5 | -59 | 0 | 0 | 0 | 0 | 110.7 | D276 Q281 C291 I292 N293 | D276-C278 VanDerWaalsContact C-N 3.26Å; D276-C278 PolarHBondContact O-N 3.47Å; D276-C278 WeakPolarHBondContact OD1-CA 3.45Å; D276-C278 VanDerWaalsContact OD1-CB 3.24Å; D276-C278 WeakPolarHBondContact OD1-CB 3.04Å; D276-C278 PolarHBondContact OD1-N 2.95Å; C278-Q281 PolarHBondContact O-NE2 3.24Å; C278-Q281 VanDerWaalsContact O-NE2 3.08Å; C278-C291 WeakPolarHBondContact CA-SG 3.35Å; C278-C291 HydrophobicContact CB-CB 3.76Å; C278-C291 WeakPolarHBondContact CB-SG 3.38Å; C278-C291 WeakPolarHBondContact SG-CB 3Å; C278-C291 CovalentContact SG-SG 2.04Å; C278-C291 PolarHBondContact SG-SG 3.03Å; C278-I292 VanDerWaalsContact SG-C 3.5Å; C278-N293 PolarHBondContact SG-N 2.92Å; C278-N293 VanDerWaalsContact SG-N 3.41Å |
| 279 | L | 92.2 | Very high | 90 | Very high | 136 Ų | 136 | 75.9 Ų | 75.9 | 71% | 0.712 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -37.1 | 173.5 | -68.4 | 178.6 | 0 | 0 | 0 | 111.8 | D276 Q281 | D276-L279 HydrophobicContact CB-CB 4.16Å; D276-L279 HydrophobicContact CB-CD1 4.07Å; D276-L279 HydrophobicContact CB-CG 4.23Å; D276-L279 VanDerWaalsContact CG-CG 3.5Å; D276-L279 PolarHBondContact OD1-N 2.87Å; D276-L279 VanDerWaalsContact OD2-CD1 3.28Å; D276-L279 WeakPolarHBondContact OD2-CD1 3.41Å; D276-L279 WeakPolarHBondContact OD2-CG 3.02Å; L279-Q281 PolarHBondContact O-N 2.73Å |
| 280 | S | 87.3 | Confident | 90.1 | Very high | 63 Ų | 63 | 75.8 Ų | 75.8 | 44% | 0.441 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -2.7 | -178.9 | -56.2 | 0 | 0 | 0 | 0 | 114.2 | D276 K282 | D276-S280 VanDerWaalsContact O-CB 3.3Å; D276-S280 WeakPolarHBondContact O-CB 3.36Å; D276-S280 PolarHBondContact O-N 2.02Å; D276-S280 PolarHBondContact O-OG 3.35Å; S280-K282 PolarHBondContact O-N 2.79Å; S280-K282 VanDerWaalsContact O-N 3.11Å |
| 281 | Q | 82.3 | Confident | 90.3 | Very high | 141 Ų | 141 | 72.5 Ų | 72.5 | 66% | 0.659 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 24 | -175.8 | -62.9 | -68.7 | -68.1 | 0 | 0 | 114 | E277 C278 L279 H283 | E277-Q281 PolarHBondContact O-N 2.03Å; E277-Q281 VanDerWaalsContact O-N 3.11Å; C278-Q281 PolarHBondContact O-NE2 3.24Å; C278-Q281 VanDerWaalsContact O-NE2 3.08Å; L279-Q281 PolarHBondContact O-N 2.73Å; Q281-H283 VanDerWaalsContact C-N 3.35Å; Q281-H283 PolarHBondContact NE2-NE2 2.84Å |
| 282 | K | 85.7 | Confident | 90.5 | Very high | 149 Ų | 149 | 72.1 Ų | 72.1 | 65% | 0.648 | 39% | 0.388 | S | S | * | . | trans | -92.2 | 0.8 | 177.1 | -69.3 | -179 | -178.4 | 176.7 | 0 | 112.9 | E277 S280 N284 | E277-K282 HydrophobicContact CB-CB 4.32Å; E277-K282 PolarHBondContact O-N 3.46Å; S280-K282 PolarHBondContact O-N 2.79Å; S280-K282 VanDerWaalsContact O-N 3.11Å; K282-N284 VanDerWaalsContact C-N 3.31Å; K282-N284 PolarHBondContact O-N 3.25Å | ||
| 283 | H | 85.5 | Confident | 90.5 | Very high | 31 Ų | 31 | 73.4 Ų | 73.4 | 14% | 0.144 | 39% | 0.394 | C | S | . | . | trans | -74.3 | -9.4 | -172.3 | 62.7 | 82.8 | 0 | 0 | 0 | 115.2 | E277 Q281 C285 C291 F298 | E277-H283 HydrophobicContact CB-CB 4.41Å; E277-H283 PolarHBondContact O-CD2 3.25Å; E277-H283 PolarHBondContact O-N 2.87Å; Q281-H283 VanDerWaalsContact C-N 3.35Å; Q281-H283 PolarHBondContact NE2-NE2 2.84Å; H283-C285 VanDerWaalsContact ND1-CB 3.3Å; H283-C285 WeakPolarHBondContact ND1-CB 3.45Å; H283-C285 PolarHBondContact ND1-N 3.12Å; H283-C285 PolarHBondContact ND1-SG 3.23Å; H283-C285 PolarHBondContact O-N 2.95Å; H283-C291 HydrophobicContact CB-CB 4.42Å; H283-C291 WeakPolarHBondContact CB-SG 3.42Å; H283-C291 VanDerWaalsContact CG-SG 3.53Å; H283-F298 VanDerWaalsContact CA-CZ 3.49Å; H283-F298 HydrophobicContact CB-CD1 4.26Å; H283-F298 HydrophobicContact CB-CD2 3.57Å; H283-F298 HydrophobicContact CB-CE1 4.35Å; H283-F298 HydrophobicContact CB-CE2 3.72Å; H283-F298 HydrophobicContact CB-CG 3.87Å; H283-F298 HydrophobicContact CB-CZ 4.1Å; H283-F298 WeakPolarHBondContact O-CE2 3.23Å; H283-F298 WeakPolarHBondContact O-CZ 3.4Å | ||
| 284 | N | 89.4 | Confident | 90.5 | Very high | 152 Ų | 152 | 70.2 Ų | 70.2 | 81% | 0.813 | 38% | 0.38 | S | S | * | . | trans | 42.5 | 31.6 | 176.7 | -72.1 | -5 | 0 | 0 | 0 | 115.6 | K282 | K282-N284 VanDerWaalsContact C-N 3.31Å; K282-N284 PolarHBondContact O-N 3.25Å | ||
| 285 | C | 91.4 | Very high | 90.2 | Very high | 25 Ų | 25 | 69.3 Ų | 69.3 | 17% | 0.169 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 141.9 | -174.7 | -71 | 0 | 0 | 0 | 0 | 110.8 | H283 T289 C300 | H283-C285 VanDerWaalsContact ND1-CB 3.3Å; H283-C285 WeakPolarHBondContact ND1-CB 3.45Å; H283-C285 PolarHBondContact ND1-N 3.12Å; H283-C285 PolarHBondContact ND1-SG 3.23Å; H283-C285 PolarHBondContact O-N 2.95Å; C285-T289 WeakPolarHBondContact CB-OG1 3.42Å; C285-C300 WeakPolarHBondContact CA-SG 3.36Å; C285-C300 HydrophobicContact CB-CB 3.84Å; C285-C300 WeakPolarHBondContact CB-SG 3.03Å; C285-C300 WeakPolarHBondContact SG-CB 3.38Å; C285-C300 CovalentContact SG-SG 2.03Å; C285-C300 PolarHBondContact SG-SG 2.97Å |
| 286 | S | 92.9 | Very high | 90 | Very high | 91 Ų | 91 | 68.7 Ų | 68.7 | 64% | 0.636 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -61 | 148.3 | 176.7 | -70.8 | 0 | 0 | 0 | 0 | 111.7 | G288 T289 | S286-G288 PolarHBondContact O-N 2.86Å; S286-T289 PolarHBondContact N-OG1 2.58Å; S286-T289 PolarHBondContact O-N 2.96Å; S286-T289 VanDerWaalsContact O-N 3.08Å; S286-T289 PolarHBondContact O-OG1 2.92Å |
| 287 | R | 86.1 | Confident | 89.8 | Confident | 257 Ų | 257 | 67.2 Ų | 67.2 | 97% | 0.97 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | 131.2 | 178.1 | -62.5 | 179.6 | 99 | 125.4 | 0.8 | 110.2 | ||
| 288 | G | 85.6 | Confident | 89.8 | Confident | 66 Ų | 66 | 69.5 Ų | 69.5 | 68% | 0.68 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.2 | -2.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | S286 | S286-G288 PolarHBondContact O-N 2.86Š|
| 289 | T | 92.3 | Very high | 89.7 | Confident | 46 Ų | 46 | 72.3 Ų | 72.3 | 28% | 0.282 | 40% | 0.395 | S | S | . | . | trans | -97.9 | 151.8 | 169.6 | 66.5 | 0 | 0 | 0 | 0 | 110.7 | C285 S286 N302 | C285-T289 WeakPolarHBondContact CB-OG1 3.42Å; S286-T289 PolarHBondContact N-OG1 2.58Å; S286-T289 PolarHBondContact O-N 2.96Å; S286-T289 VanDerWaalsContact O-N 3.08Å; S286-T289 PolarHBondContact O-OG1 2.92Å; T289-N302 HydrophobicContact CG2-CB 4.15Å | ||
| 290 | S | 93 | Very high | 89.8 | Confident | 28 Ų | 28 | 68.4 Ų | 68.4 | 20% | 0.196 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 137 | 176 | -59.8 | 0 | 0 | 0 | 0 | 110 | C300 V301 | S290-C300 WeakPolarHBondContact O-CA 3.25Å; S290-V301 PolarHBondContact N-O 2.95Å; S290-V301 PolarHBondContact O-N 2.85Å |
| 291 | C | 94.4 | Very high | 90.1 | Very high | 32 Ų | 32 | 66.3 Ų | 66.3 | 22% | 0.216 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 132.5 | 178.4 | -170.8 | 0 | 0 | 0 | 0 | 110.4 | C278 H283 | C278-C291 WeakPolarHBondContact CA-SG 3.35Å; C278-C291 HydrophobicContact CB-CB 3.76Å; C278-C291 WeakPolarHBondContact CB-SG 3.38Å; C278-C291 WeakPolarHBondContact SG-CB 3Å; C278-C291 CovalentContact SG-SG 2.04Å; C278-C291 PolarHBondContact SG-SG 3.03Å; H283-C291 HydrophobicContact CB-CB 4.42Å; H283-C291 WeakPolarHBondContact CB-SG 3.42Å; H283-C291 VanDerWaalsContact CG-SG 3.53Å |
| 292 | I | 94.1 | Very high | 90.7 | Very high | 27 Ų | 27 | 63.2 Ų | 63.2 | 14% | 0.138 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 121.4 | 172.2 | -58.8 | -60.7 | 0 | 0 | 0 | 107.6 | C278 T294 F298 R299 V301 F320 Y345 L437 | C278-I292 VanDerWaalsContact SG-C 3.5Å; I292-T294 HydrophobicContact CG2-CG2 4.45Å; I292-F298 CarbonylContact O-C 3.49Å; I292-F298 WeakPolarHBondContact O-CA 3.38Å; I292-R299 PolarHBondContact N-O 2.71Å; I292-R299 PolarHBondContact O-N 2.98Å; I292-V301 HydrophobicContact CD1-CG2 4.2Å; I292-V301 HydrophobicContact CG1-CG1 4.2Å; I292-V301 HydrophobicContact CG1-CG2 3.54Å; I292-F320 HydrophobicContact CD1-CE1 3.98Å; I292-F320 HydrophobicContact CD1-CZ 3.72Å; I292-Y345 HydrophobicContact CD1-CD2 3.82Å; I292-Y345 HydrophobicContact CD1-CG 4.21Å; I292-Y345 HydrophobicContact CG1-CD2 3.94Å; I292-Y345 HydrophobicContact CG1-CG 3.98Å; I292-Y345 HydrophobicContact CG2-CG 4.22Å; I292-L437 HydrophobicContact CG2-CD1 4.42Å |
| 293 | N | 92.3 | Very high | 91.1 | Very high | 45 Ų | 45 | 56.6 Ų | 56.6 | 24% | 0.241 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 138.2 | 175.4 | -166.7 | 40.7 | 0 | 0 | 0 | 110.4 | D274 E277 C278 G297 | D274-N293 PolarHBondContact OD2-ND2 2.86Å; E277-N293 PolarHBondContact OE2-OD1 3.47Å; C278-N293 PolarHBondContact SG-N 2.92Å; C278-N293 VanDerWaalsContact SG-N 3.41Å; N293-G297 PolarHBondContact OD1-O 3.28Å |
| 294 | T | 90.6 | Very high | 91.4 | Very high | 18 Ų | 18 | 62 Ų | 62 | 11% | 0.11 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 158.5 | -178.3 | 61.1 | 0 | 0 | 0 | 0 | 110 | I292 G296 G297 R299 L437 | I292-T294 HydrophobicContact CG2-CG2 4.45Å; T294-G296 PolarHBondContact O-N 3.03Å; T294-G297 CarbonylContact C-O 3.5Å; T294-G297 VanDerWaalsContact C-O 3.29Å; T294-G297 VanDerWaalsContact CA-O 3.28Å; T294-G297 WeakPolarHBondContact CA-O 3.33Å; T294-G297 WeakPolarHBondContact CB-O 3.48Å; T294-G297 PolarHBondContact N-O 2.88Å; T294-G297 PolarHBondContact O-N 3.48Å; T294-G297 VanDerWaalsContact O-N 3.11Å; T294-G297 PolarHBondContact OG1-O 3.02Å; T294-R299 HydrophobicContact CG2-CB 4.49Å; T294-R299 HydrophobicContact CG2-CG 3.99Å; T294-L437 HydrophobicContact CG2-CD1 3.51Å |
| 295 | G | 87.5 | Confident | 91.7 | Very high | 20 Ų | 20 | 56.1 Ų | 56.1 | 21% | 0.206 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | 111.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y263 S347 | Y263-G295 VanDerWaalsContact OH-C 3.22Å; Y263-G295 VanDerWaalsContact OH-CA 3.31Å; Y263-G295 WeakPolarHBondContact OH-CA 3.44Å; G295-S347 PolarHBondContact N-OG 3.45Å |
| 296 | G | 86.7 | Confident | 91.7 | Very high | 26 Ų | 26 | 57.3 Ų | 57.3 | 27% | 0.268 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | 11.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y263 D274 T294 | Y263-G296 PolarHBondContact OH-N 3.05Å; D274-G296 PolarHBondContact OD1-N 3.46Å; T294-G296 PolarHBondContact O-N 3.03Å |
| 297 | G | 90.6 | Very high | 91.7 | Very high | 14 Ų | 14 | 64 Ų | 64 | 14% | 0.144 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 170 | -163.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | E277 N293 T294 | E277-G297 WeakPolarHBondContact OE1-CA 3.34Å; N293-G297 PolarHBondContact OD1-O 3.28Å; T294-G297 CarbonylContact C-O 3.5Å; T294-G297 VanDerWaalsContact C-O 3.29Å; T294-G297 VanDerWaalsContact CA-O 3.28Å; T294-G297 WeakPolarHBondContact CA-O 3.33Å; T294-G297 WeakPolarHBondContact CB-O 3.48Å; T294-G297 PolarHBondContact N-O 2.88Å; T294-G297 PolarHBondContact O-N 3.48Å; T294-G297 VanDerWaalsContact O-N 3.11Å; T294-G297 PolarHBondContact OG1-O 3.02Å |
| 298 | F | 92.5 | Very high | 91.9 | Very high | 71 Ų | 71 | 56.3 Ų | 56.3 | 31% | 0.311 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 162.6 | 179.7 | 67.5 | -82.7 | 0 | 0 | 0 | 111.8 | E277 H283 I292 | E277-F298 HydrophobicContact CB-CB 4.32Å; E277-F298 HydrophobicContact CB-CD1 3.57Å; E277-F298 HydrophobicContact CB-CE1 4.26Å; E277-F298 HydrophobicContact CB-CG 4.14Å; E277-F298 HydrophobicContact CG-CD1 3.81Å; E277-F298 HydrophobicContact CG-CE1 4.41Å; E277-F298 PolarHBondContact OE2-N 2.84Å; H283-F298 VanDerWaalsContact CA-CZ 3.49Å; H283-F298 HydrophobicContact CB-CD1 4.26Å; H283-F298 HydrophobicContact CB-CD2 3.57Å; H283-F298 HydrophobicContact CB-CE1 4.35Å; H283-F298 HydrophobicContact CB-CE2 3.72Å; H283-F298 HydrophobicContact CB-CG 3.87Å; H283-F298 HydrophobicContact CB-CZ 4.1Å; H283-F298 WeakPolarHBondContact O-CE2 3.23Å; H283-F298 WeakPolarHBondContact O-CZ 3.4Å; I292-F298 CarbonylContact O-C 3.49Å; I292-F298 WeakPolarHBondContact O-CA 3.38Å |
| 299 | R | 91.8 | Very high | 92 | Very high | 80 Ų | 80 | 60.4 Ų | 60.4 | 30% | 0.302 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 128.4 | 173.7 | -61.1 | -158 | -58.4 | -162.6 | 42.2 | 111.9 | I292 T294 E411 L437 | I292-R299 PolarHBondContact N-O 2.71Å; I292-R299 PolarHBondContact O-N 2.98Å; T294-R299 HydrophobicContact CG2-CB 4.49Å; T294-R299 HydrophobicContact CG2-CG 3.99Å; R299-E411 IonicContact CZ-OE2 2.74Å; R299-E411 IonicContact NH1-OE2 3.65Å; R299-E411 IonicContact NH2-OE1 2.73Å; R299-E411 PolarHBondContact NH2-OE1 3.26Å; R299-E411 IonicContact NH2-OE2 3.94Å; R299-E411 PolarHBondContact NH2-OE2 2.92Å; R299-L437 VanDerWaalsContact CZ-CD1 3.49Å; R299-L437 VanDerWaalsContact CZ-CD2 3.46Å |
| 300 | C | 93.9 | Very high | 91.8 | Very high | 55 Ų | 55 | 61.7 Ų | 61.7 | 37% | 0.372 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 117.3 | 172.4 | -47.8 | 0 | 0 | 0 | 0 | 108.9 | C285 S290 | C285-C300 WeakPolarHBondContact CA-SG 3.36Å; C285-C300 HydrophobicContact CB-CB 3.84Å; C285-C300 WeakPolarHBondContact CB-SG 3.03Å; C285-C300 WeakPolarHBondContact SG-CB 3.38Å; C285-C300 CovalentContact SG-SG 2.03Å; C285-C300 PolarHBondContact SG-SG 2.97Å; S290-C300 WeakPolarHBondContact O-CA 3.25Å |
| 301 | V | 94 | Very high | 91.6 | Very high | 19 Ų | 19 | 65 Ų | 65 | 12% | 0.115 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 145.6 | 179.9 | -57.3 | 0 | 0 | 0 | 0 | 110.1 | S290 I292 F320 Y345 | S290-V301 PolarHBondContact N-O 2.95Å; S290-V301 PolarHBondContact O-N 2.85Å; I292-V301 HydrophobicContact CD1-CG2 4.2Å; I292-V301 HydrophobicContact CG1-CG1 4.2Å; I292-V301 HydrophobicContact CG1-CG2 3.54Å; V301-F320 HydrophobicContact CG2-CE1 3.72Å; V301-F320 HydrophobicContact CG2-CZ 4.3Å; V301-Y345 HydrophobicContact CB-CE1 4.32Å; V301-Y345 HydrophobicContact CB-CE2 4.38Å; V301-Y345 HydrophobicContact CG1-CD1 4.37Å; V301-Y345 HydrophobicContact CG1-CE1 3.79Å; V301-Y345 HydrophobicContact CG2-CD2 4.38Å; V301-Y345 HydrophobicContact CG2-CE1 4.46Å; V301-Y345 HydrophobicContact CG2-CE2 3.76Å |
| 302 | N | 94.1 | Very high | 91.5 | Very high | 75 Ų | 75 | 65 Ų | 65 | 40% | 0.401 | 36% | 0.36 | S | S | . | . | trans | -135.6 | 83.5 | 167 | 177.5 | 34.1 | 0 | 0 | 0 | 107.6 | T289 E304 K316 | T289-N302 HydrophobicContact CG2-CB 4.15Å; N302-E304 PolarHBondContact O-N 3.35Å; N302-K316 PolarHBondContact OD1-NZ 2.65Å | ||
| 303 | P | 93.9 | Very high | 91.5 | Very high | 10 Ų | 10 | 65.8 Ų | 65.8 | 7% | 0.065 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 131.5 | 179.6 | 26.1 | -31.7 | 0 | 0 | 0 | 109.6 | K316 P319 F320 F343 | P303-K316 PolarHBondContact O-NZ 2.85Å; P303-P319 VanDerWaalsContact CG-O 3.31Å; P303-P319 WeakPolarHBondContact CG-O 3.26Å; P303-F320 HydrophobicContact CG-CD1 3.83Å; P303-F320 HydrophobicContact CG-CE1 4.31Å; P303-F343 HydrophobicContact CB-CB 3.98Å; P303-F343 HydrophobicContact CB-CD1 3.65Å; P303-F343 HydrophobicContact CB-CD2 3.66Å; P303-F343 HydrophobicContact CB-CE1 3.96Å; P303-F343 HydrophobicContact CB-CE2 3.98Å; P303-F343 HydrophobicContact CB-CG 3.48Å; P303-F343 VanDerWaalsContact CB-CG 3.48Å; P303-F343 HydrophobicContact CB-CZ 4.12Å; P303-F343 HydrophobicContact CG-CB 4.03Å; P303-F343 HydrophobicContact CG-CD2 4.02Å; P303-F343 HydrophobicContact CG-CG 3.98Å |
| 304 | E | 93 | Very high | 91.6 | Very high | 144 Ų | 144 | 65.4 Ų | 65.4 | 67% | 0.673 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -100.2 | 144.5 | 179.3 | -64.3 | -171.2 | 170.2 | 0 | 0 | 110.7 | N302 F343 | N302-E304 PolarHBondContact O-N 3.35Å; E304-F343 WeakPolarHBondContact O-CZ 3.31Å |
| 305 | C | 94.1 | Very high | 91.9 | Very high | 29 Ų | 29 | 67.8 Ų | 67.8 | 20% | 0.196 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 151 | 172.8 | -57 | 0 | 0 | 0 | 0 | 110.4 | R307 C322 | C305-R307 PolarHBondContact O-N 3.43Å; C305-C322 WeakPolarHBondContact CA-SG 3.17Å; C305-C322 HydrophobicContact CB-CB 3.88Å; C305-C322 WeakPolarHBondContact CB-SG 3.37Å; C305-C322 WeakPolarHBondContact SG-CB 3.23Å; C305-C322 CovalentContact SG-SG 2.03Å; C305-C322 PolarHBondContact SG-SG 2.86Å |
| 306 | P | 93.1 | Very high | 92.2 | Very high | 51 Ų | 51 | 70.8 Ų | 70.8 | 33% | 0.331 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -55.7 | 141.1 | 175.9 | -22.8 | 32.3 | 0 | 0 | 0 | 111.7 | Y314 M341 | P306-Y314 HydrophobicContact CB-CD2 4.11Å; P306-Y314 HydrophobicContact CB-CE2 4.3Å; P306-Y314 HydrophobicContact CG-CD2 4.22Å; P306-Y314 HydrophobicContact CG-CE2 4.31Å; P306-M341 HydrophobicContact CG-CE 3.66Å; P306-M341 HydrophobicContact CG-SD 3.47Å; P306-M341 WeakPolarHBondContact CG-SD 3.47Å |
| 307 | R | 92.3 | Very high | 92.6 | Very high | 231 Ų | 231 | 73 Ų | 73 | 87% | 0.872 | 39% | 0.393 | S | S | * | . | P | Polyproline II helix | trans | -58.8 | 144.9 | 176.4 | -65.3 | -176 | -179.1 | 176.4 | 0.5 | 110.3 | C305 H309 | C305-R307 PolarHBondContact O-N 3.43Å; R307-H309 PolarHBondContact O-N 2.04Å |
| 308 | S | 89.4 | Confident | 92.8 | Very high | 95 Ų | 95 | 74.3 Ų | 74.3 | 66% | 0.664 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 131.9 | 176.1 | 54.5 | 0 | 0 | 0 | 0 | 110.5 | I312 | S308-I312 CarbonylContact C-O 3.54Å; S308-I312 VanDerWaalsContact CA-O 3.27Å; S308-I312 WeakPolarHBondContact CA-O 3.48Å |
| 309 | H | 89.4 | Confident | 92.8 | Very high | 152 Ų | 152 | 74.1 Ų | 74.1 | 70% | 0.704 | 41% | 0.406 | S | S | * | . | B | Isolated β-bridge | trans | -137.1 | 114.8 | 179 | -172.5 | 74.4 | 0 | 0 | 0 | 110.1 | R307 N311 I312 | R307-H309 PolarHBondContact O-N 2.04Å; H309-N311 PolarHBondContact O-N 2.74Å; H309-I312 PolarHBondContact N-O 3Å; H309-I312 WeakPolarHBondContact O-CB 3.22Å; H309-I312 PolarHBondContact O-N 3.41Å |
| 310 | G | 86.9 | Confident | 93 | Very high | 73 Ų | 73 | 73.1 Ų | 73.1 | 75% | 0.753 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | -126.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I312 | G310-I312 VanDerWaalsContact C-N 3.25Å; G310-I312 PolarHBondContact O-N 2.88Å |
| 311 | N | 89.1 | Confident | 93.1 | Very high | 98 Ų | 98 | 74.1 Ų | 74.1 | 52% | 0.524 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | 4.9 | 178.8 | -65 | -18.1 | 0 | 0 | 0 | 113.9 | H309 P328 | H309-N311 PolarHBondContact O-N 2.74Å; N311-P328 HydrophobicContact CB-CG 4.17Å |
| 312 | I | 92 | Very high | 93.2 | Very high | 33 Ų | 33 | 73.2 Ų | 73.2 | 17% | 0.169 | 40% | 0.398 | C | S | . | . | B | Isolated β-bridge | trans | -101.4 | 120.6 | -177.5 | -54 | 169.8 | 0 | 0 | 0 | 108.6 | S308 H309 G310 Y314 R324 C334 A337 | S308-I312 CarbonylContact C-O 3.54Å; S308-I312 VanDerWaalsContact CA-O 3.27Å; S308-I312 WeakPolarHBondContact CA-O 3.48Å; H309-I312 PolarHBondContact N-O 3Å; H309-I312 WeakPolarHBondContact O-CB 3.22Å; H309-I312 PolarHBondContact O-N 3.41Å; G310-I312 VanDerWaalsContact C-N 3.25Å; G310-I312 PolarHBondContact O-N 2.88Å; I312-Y314 HydrophobicContact CG2-CD2 4.22Å; I312-Y314 HydrophobicContact CG2-CE2 3.46Å; I312-Y314 VanDerWaalsContact CG2-CE2 3.46Å; I312-R324 HydrophobicContact CG2-CG 4.36Å; I312-C334 HydrophobicContact CG1-CB 3.92Å; I312-A337 HydrophobicContact CD1-CB 3.96Å; I312-A337 HydrophobicContact CG1-CB 4.45Å; I312-A337 HydrophobicContact CG2-CB 4.22Å |
| 313 | S | 94 | Very high | 93.3 | Very high | 42 Ų | 42 | 73.4 Ų | 73.4 | 29% | 0.294 | 40% | 0.396 | S | S | . | . | trans | -137 | 149.7 | 172.5 | 56.5 | 0 | 0 | 0 | 0 | 110.3 | R324 N325 | S313-R324 WeakPolarHBondContact O-CA 3.34Å; S313-R324 WeakPolarHBondContact O-CG 3.5Å; S313-N325 PolarHBondContact O-N 3.36Å; S313-N325 WeakPolarHBondContact OG-CB 3.31Å; S313-N325 PolarHBondContact OG-ND2 3.28Å | ||
| 314 | Y | 95.4 | Very high | 93.3 | Very high | 37 Ų | 37 | 74.7 Ų | 74.7 | 15% | 0.145 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 145.3 | -178.5 | -70.4 | -86.3 | 0 | 0 | 0 | 110.1 | P306 I312 C322 E323 R324 P338 M341 | P306-Y314 HydrophobicContact CB-CD2 4.11Å; P306-Y314 HydrophobicContact CB-CE2 4.3Å; P306-Y314 HydrophobicContact CG-CD2 4.22Å; P306-Y314 HydrophobicContact CG-CE2 4.31Å; I312-Y314 HydrophobicContact CG2-CD2 4.22Å; I312-Y314 HydrophobicContact CG2-CE2 3.46Å; I312-Y314 VanDerWaalsContact CG2-CE2 3.46Å; Y314-C322 HydrophobicContact CD1-CB 4.42Å; Y314-E323 CarbonylContact C-O 3.57Å; Y314-E323 WeakPolarHBondContact CA-O 3.2Å; Y314-R324 HydrophobicContact CD1-CB 3.93Å; Y314-R324 HydrophobicContact CD1-CG 4.39Å; Y314-R324 HydrophobicContact CE1-CB 3.58Å; Y314-R324 HydrophobicContact CE1-CG 3.96Å; Y314-P338 VanDerWaalsContact CE1-O 3.32Å; Y314-P338 WeakPolarHBondContact CE1-O 3.42Å; Y314-P338 WeakPolarHBondContact OH-CD 3.05Å; Y314-P338 PolarHBondContact OH-O 3.46Å; Y314-M341 HydrophobicContact CD1-SD 4.48Å; Y314-M341 HydrophobicContact CE1-CG 4.34Å; Y314-M341 HydrophobicContact CE1-SD 3.99Å |
| 315 | V | 95.3 | Very high | 93.3 | Very high | 68 Ų | 68 | 70.7 Ų | 70.7 | 41% | 0.412 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 141.2 | 171.5 | 64.8 | 0 | 0 | 0 | 0 | 109.3 | T317 C322 E323 | V315-T317 HydrophobicContact CG1-CG2 4.29Å; V315-T317 PolarHBondContact O-N 3.18Å; V315-C322 CarbonylContact O-C 3.58Å; V315-C322 VanDerWaalsContact O-CA 3.31Å; V315-C322 WeakPolarHBondContact O-CA 3.47Å; V315-E323 PolarHBondContact N-O 3.13Å; V315-E323 PolarHBondContact O-N 2.74Å |
| 316 | K | 94.7 | Very high | 93.2 | Very high | 84 Ų | 84 | 75.5 Ų | 75.5 | 37% | 0.365 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 112.4 | 176.2 | -168.9 | 163.5 | 179.4 | 161.8 | 0 | 108.5 | N302 P303 S318 P319 | N302-K316 PolarHBondContact OD1-NZ 2.65Å; P303-K316 PolarHBondContact O-NZ 2.85Å; K316-S318 VanDerWaalsContact CE-O 3.26Å; K316-S318 WeakPolarHBondContact CE-O 3.45Å; K316-S318 WeakPolarHBondContact CG-O 3.08Å; K316-P319 VanDerWaalsContact CE-CA 3.49Å; K316-P319 WeakPolarHBondContact CE-O 3.44Å; K316-P319 PolarHBondContact NZ-O 2.88Å; K316-P319 VanDerWaalsContact NZ-O 3.13Å |
| 317 | T | 94.4 | Very high | 93.1 | Very high | 71 Ų | 71 | 74.1 Ų | 74.1 | 44% | 0.436 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | -24.6 | 179.8 | 53.8 | 0 | 0 | 0 | 0 | 112.1 | V315 Q321 E323 | V315-T317 HydrophobicContact CG1-CG2 4.29Å; V315-T317 PolarHBondContact O-N 3.18Å; T317-Q321 PolarHBondContact N-O 3.21Å; T317-Q321 PolarHBondContact OG1-O 3.48Å; T317-E323 HydrophobicContact CG2-CB 3.67Å |
| 318 | S | 94.6 | Very high | 92.9 | Very high | 43 Ų | 43 | 66 Ų | 66 | 30% | 0.301 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 170.5 | 171.6 | 86.4 | 0 | 0 | 0 | 0 | 110.2 | K316 F320 Q321 | K316-S318 VanDerWaalsContact CE-O 3.26Å; K316-S318 WeakPolarHBondContact CE-O 3.45Å; K316-S318 WeakPolarHBondContact CG-O 3.08Å; S318-F320 PolarHBondContact O-N 2.88Å; S318-F320 PolarHBondContact OG-N 2.75Å; S318-Q321 PolarHBondContact N-O 3.1Å; S318-Q321 PolarHBondContact O-N 2.74Å; S318-Q321 WeakPolarHBondContact OG-CB 3.29Å; S318-Q321 PolarHBondContact OG-N 2.88Å; S318-Q321 VanDerWaalsContact OG-N 3.1Å |
| 319 | P | 93.5 | Very high | 92.5 | Very high | 66 Ų | 66 | 69.5 Ų | 69.5 | 43% | 0.429 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -29.1 | 176.4 | -28.4 | 36.5 | 0 | 0 | 0 | 114.1 | P303 K316 | P303-P319 VanDerWaalsContact CG-O 3.31Å; P303-P319 WeakPolarHBondContact CG-O 3.26Å; K316-P319 VanDerWaalsContact CE-CA 3.49Å; K316-P319 WeakPolarHBondContact CE-O 3.44Å; K316-P319 PolarHBondContact NZ-O 2.88Å; K316-P319 VanDerWaalsContact NZ-O 3.13Å |
| 320 | F | 95.9 | Very high | 92.4 | Very high | 59 Ų | 59 | 69.9 Ų | 69.9 | 26% | 0.259 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -121.6 | 13.1 | -175.3 | -59.8 | -72.1 | 0 | 0 | 0 | 113.7 | I292 V301 P303 S318 S342 F343 Y345 | I292-F320 HydrophobicContact CD1-CE1 3.98Å; I292-F320 HydrophobicContact CD1-CZ 3.72Å; V301-F320 HydrophobicContact CG2-CE1 3.72Å; V301-F320 HydrophobicContact CG2-CZ 4.3Å; P303-F320 HydrophobicContact CG-CD1 3.83Å; P303-F320 HydrophobicContact CG-CE1 4.31Å; S318-F320 PolarHBondContact O-N 2.88Å; S318-F320 PolarHBondContact OG-N 2.75Å; F320-S342 CarbonylContact O-C 3.58Å; F320-S342 VanDerWaalsContact O-CA 3.28Å; F320-S342 WeakPolarHBondContact O-CA 3.48Å; F320-F343 HydrophobicContact CD1-CB 4.41Å; F320-F343 WeakPolarHBondContact O-CD2 3.37Å; F320-F343 PolarHBondContact O-N 3.31Å; F320-Y345 HydrophobicContact CD1-CD2 4.44Å; F320-Y345 AromaticContact CD1-CE2 3.95Å; F320-Y345 HydrophobicContact CD1-CE2 3.95Å; F320-Y345 HydrophobicContact CE1-CD2 4.13Å; F320-Y345 AromaticContact CE1-CE2 3.76Å; F320-Y345 HydrophobicContact CE1-CE2 3.76Å |
| 321 | Q | 95.8 | Very high | 92.5 | Very high | 76 Ų | 76 | 66.9 Ų | 66.9 | 36% | 0.355 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 136.1 | -176.9 | -167.1 | 174.3 | -7.4 | 0 | 0 | 112.3 | T317 S318 M341 | T317-Q321 PolarHBondContact N-O 3.21Å; T317-Q321 PolarHBondContact OG1-O 3.48Å; S318-Q321 PolarHBondContact N-O 3.1Å; S318-Q321 PolarHBondContact O-N 2.74Å; S318-Q321 WeakPolarHBondContact OG-CB 3.29Å; S318-Q321 PolarHBondContact OG-N 2.88Å; S318-Q321 VanDerWaalsContact OG-N 3.1Å; Q321-M341 CarbonylContact C-O 3.52Å; Q321-M341 WeakPolarHBondContact CA-O 3.32Å |
| 322 | C | 96.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 71.6 Ų | 71.6 | 1% | 0.007 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 141.8 | 172.4 | -56.5 | 0 | 0 | 0 | 0 | 109.8 | C305 Y314 V315 T340 M341 | C305-C322 WeakPolarHBondContact CA-SG 3.17Å; C305-C322 HydrophobicContact CB-CB 3.88Å; C305-C322 WeakPolarHBondContact CB-SG 3.37Å; C305-C322 WeakPolarHBondContact SG-CB 3.23Å; C305-C322 CovalentContact SG-SG 2.03Å; C305-C322 PolarHBondContact SG-SG 2.86Å; Y314-C322 HydrophobicContact CD1-CB 4.42Å; V315-C322 CarbonylContact O-C 3.58Å; V315-C322 VanDerWaalsContact O-CA 3.31Å; V315-C322 WeakPolarHBondContact O-CA 3.47Å; C322-T340 CarbonylContact O-C 3.58Å; C322-T340 WeakPolarHBondContact O-CA 3.41Å; C322-M341 HydrophobicContact CB-CB 4.28Å; C322-M341 PolarHBondContact N-O 3.15Å; C322-M341 PolarHBondContact O-N 3.08Å |
| 323 | E | 95.4 | Very high | 92.3 | Very high | 78 Ų | 78 | 73.9 Ų | 73.9 | 36% | 0.364 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 140.1 | 172.4 | -171.3 | 164.8 | -175.4 | 0 | 0 | 109.8 | Y314 V315 T317 T340 | Y314-E323 CarbonylContact C-O 3.57Å; Y314-E323 WeakPolarHBondContact CA-O 3.2Å; V315-E323 PolarHBondContact N-O 3.13Å; V315-E323 PolarHBondContact O-N 2.74Å; T317-E323 HydrophobicContact CG2-CB 3.67Å; E323-T340 HydrophobicContact CG-CG2 4.49Å |
| 324 | R | 94.5 | Very high | 92.2 | Very high | 37 Ų | 37 | 71.9 Ų | 71.9 | 14% | 0.14 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 135.8 | 177.3 | -166.4 | -172.3 | 62.7 | -131.5 | 14.2 | 109.6 | I312 S313 Y314 C327 C334 A337 P338 K339 | I312-R324 HydrophobicContact CG2-CG 4.36Å; S313-R324 WeakPolarHBondContact O-CA 3.34Å; S313-R324 WeakPolarHBondContact O-CG 3.5Å; Y314-R324 HydrophobicContact CD1-CB 3.93Å; Y314-R324 HydrophobicContact CD1-CG 4.39Å; Y314-R324 HydrophobicContact CE1-CB 3.58Å; Y314-R324 HydrophobicContact CE1-CG 3.96Å; R324-C327 PolarHBondContact NE-SG 3.47Å; R324-C334 VanDerWaalsContact CZ-O 3.26Å; R324-C334 PolarHBondContact NE-O 3.26Å; R324-C334 PolarHBondContact NH1-O 3.45Å; R324-A337 PolarHBondContact NH1-O 2.83Å; R324-P338 WeakPolarHBondContact CB-O 3.48Å; R324-P338 PolarHBondContact NH1-O 3.14Å; R324-P338 VanDerWaalsContact NH1-O 3.09Å; R324-K339 PolarHBondContact N-O 3.41Å; R324-K339 VanDerWaalsContact NH1-CA 3.32Å |
| 325 | N | 92.9 | Very high | 91.9 | Very high | 61 Ų | 61 | 73.7 Ų | 73.7 | 33% | 0.326 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 157.4 | 171.6 | -70.5 | -35.9 | 0 | 0 | 0 | 111.6 | S313 C327 | S313-N325 PolarHBondContact O-N 3.36Å; S313-N325 WeakPolarHBondContact OG-CB 3.31Å; S313-N325 PolarHBondContact OG-ND2 3.28Å; N325-C327 PolarHBondContact O-N 3.34Å |
| 326 | P | 92.5 | Very high | 91.7 | Very high | 129 Ų | 129 | 74.5 Ų | 74.5 | 84% | 0.838 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -51.7 | 131 | 177.1 | -27.7 | 35.6 | 0 | 0 | 0 | 112.4 | ||
| 327 | C | 90.1 | Very high | 91.5 | Very high | 22 Ų | 22 | 71 Ų | 71 | 15% | 0.149 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -83.9 | 145 | 179.7 | -66.5 | 0 | 0 | 0 | 0 | 111.4 | R324 N325 C334 | R324-C327 PolarHBondContact NE-SG 3.47Å; N325-C327 PolarHBondContact O-N 3.34Å; C327-C334 VanDerWaalsContact CA-SG 3.56Å; C327-C334 HydrophobicContact CB-CB 3.7Å; C327-C334 WeakPolarHBondContact CB-SG 3.38Å; C327-C334 WeakPolarHBondContact SG-CB 3.41Å; C327-C334 PolarHBondContact SG-O 3.49Å; C327-C334 CovalentContact SG-SG 2.04Å; C327-C334 PolarHBondContact SG-SG 2.03Å |
| 328 | P | 89.4 | Confident | 91.5 | Very high | 62 Ų | 62 | 68.9 Ų | 68.9 | 40% | 0.403 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -60 | 140.6 | 163.7 | -19.2 | 31.6 | 0 | 0 | 0 | 110.8 | N311 D330 S331 H335 | N311-P328 HydrophobicContact CB-CG 4.17Å; P328-D330 PolarHBondContact O-N 2.87Å; P328-D330 VanDerWaalsContact O-N 3.11Å; P328-S331 WeakPolarHBondContact O-CB 3.45Å; P328-S331 PolarHBondContact O-N 3.36Å; P328-H335 PolarHBondContact O-NE2 2.83Å |
| 329 | M | 79.9 | Confident | 91.4 | Very high | 168 Ų | 168 | 71.2 Ų | 71.2 | 83% | 0.828 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -34.9 | -175 | -68.5 | -65 | -68.5 | 0 | 0 | 114 | ||
| 330 | D | 87.4 | Confident | 91.5 | Very high | 159 Ų | 159 | 69.2 Ų | 69.2 | 85% | 0.85 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.5 | -8.3 | -175.7 | -54.9 | -41.6 | 0 | 0 | 0 | 113.1 | P328 R332 | P328-D330 PolarHBondContact O-N 2.87Å; P328-D330 VanDerWaalsContact O-N 3.11Å; D330-R332 PolarHBondContact O-N 3.42Å; D330-R332 VanDerWaalsContact O-N 3.08Å |
| 331 | S | 88.6 | Confident | 91.4 | Very high | 11 Ų | 11 | 67 Ų | 67 | 8% | 0.077 | 35% | 0.348 | C | S | . | . | trans | -88.5 | 80.3 | -172.2 | -168.8 | 0 | 0 | 0 | 0 | 112 | P328 S333 C334 H335 | P328-S331 WeakPolarHBondContact O-CB 3.45Å; P328-S331 PolarHBondContact O-N 3.36Å; S331-S333 PolarHBondContact O-N 3.16Å; S331-S333 PolarHBondContact OG-OG 2.97Å; S331-C334 WeakPolarHBondContact O-CB 3.38Å; S331-C334 PolarHBondContact O-N 3.18Å; S331-C334 WeakPolarHBondContact OG-CB 3.35Å; S331-H335 PolarHBondContact O-CD2 3.07Å; S331-H335 PolarHBondContact O-N 3.4Å; S331-H335 VanDerWaalsContact O-N 3.08Å | ||
| 332 | R | 88.2 | Confident | 91.4 | Very high | 197 Ų | 197 | 64.7 Ų | 64.7 | 74% | 0.743 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -52.9 | -40 | 176.6 | -174.8 | 176.6 | 178 | -176.8 | -1 | 112.9 | D330 C334 H335 L336 | D330-R332 PolarHBondContact O-N 3.42Å; D330-R332 VanDerWaalsContact O-N 3.08Å; R332-C334 VanDerWaalsContact C-N 3.33Å; R332-C334 PolarHBondContact O-N 3.42Å; R332-H335 PolarHBondContact O-N 3.14Å; R332-L336 HydrophobicContact CG-CD1 4.03Å; R332-L336 HydrophobicContact CG-CG 4.43Å; R332-L336 WeakPolarHBondContact O-CG 3.27Å; R332-L336 PolarHBondContact O-N 3.45Å |
| 333 | S | 90.5 | Very high | 91.4 | Very high | 80 Ų | 80 | 65.2 Ų | 65.2 | 56% | 0.559 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -61.1 | -39.3 | 177.5 | 51.2 | 0 | 0 | 0 | 0 | 112.6 | S331 A337 | S331-S333 PolarHBondContact O-N 3.16Å; S331-S333 PolarHBondContact OG-OG 2.97Å; S333-A337 PolarHBondContact O-N 3.29Å; S333-A337 VanDerWaalsContact O-N 3.16Å |
| 334 | C | 90.6 | Very high | 91.4 | Very high | 1 Ų | 1 | 64.4 Ų | 64.4 | 1% | 0.007 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -70.1 | -42.2 | 176.3 | -173.5 | 0 | 0 | 0 | 0 | 112.1 | I312 R324 C327 S331 R332 L336 A337 | I312-C334 HydrophobicContact CG1-CB 3.92Å; R324-C334 VanDerWaalsContact CZ-O 3.26Å; R324-C334 PolarHBondContact NE-O 3.26Å; R324-C334 PolarHBondContact NH1-O 3.45Å; C327-C334 VanDerWaalsContact CA-SG 3.56Å; C327-C334 HydrophobicContact CB-CB 3.7Å; C327-C334 WeakPolarHBondContact CB-SG 3.38Å; C327-C334 WeakPolarHBondContact SG-CB 3.41Å; C327-C334 PolarHBondContact SG-O 3.49Å; C327-C334 CovalentContact SG-SG 2.04Å; C327-C334 PolarHBondContact SG-SG 2.03Å; S331-C334 WeakPolarHBondContact O-CB 3.38Å; S331-C334 PolarHBondContact O-N 3.18Å; S331-C334 WeakPolarHBondContact OG-CB 3.35Å; R332-C334 VanDerWaalsContact C-N 3.33Å; R332-C334 PolarHBondContact O-N 3.42Å; C334-L336 VanDerWaalsContact C-N 3.27Å; C334-L336 PolarHBondContact O-N 3.07Å; C334-A337 VanDerWaalsContact O-CB 3.29Å; C334-A337 WeakPolarHBondContact O-CB 3.16Å; C334-A337 PolarHBondContact O-N 3.17Å; C334-A337 VanDerWaalsContact O-N 3.13Å |
| 335 | H | 89.1 | Confident | 91.4 | Very high | 75 Ų | 75 | 64.6 Ų | 64.6 | 35% | 0.347 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61.7 | -36.5 | 177 | -75.4 | -75.2 | 0 | 0 | 0 | 112.3 | P328 S331 R332 F426 | P328-H335 PolarHBondContact O-NE2 2.83Å; S331-H335 PolarHBondContact O-CD2 3.07Å; S331-H335 PolarHBondContact O-N 3.4Å; S331-H335 VanDerWaalsContact O-N 3.08Å; R332-H335 PolarHBondContact O-N 3.14Å; H335-F426 WeakPolarHBondContact O-CE1 3.24Å |
| 336 | L | 90.6 | Very high | 91.4 | Very high | 85 Ų | 85 | 63.7 Ų | 63.7 | 45% | 0.445 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -77.7 | -16.4 | 176.3 | -67.4 | 174.8 | 0 | 0 | 0 | 114.2 | R332 C334 F426 | R332-L336 HydrophobicContact CG-CD1 4.03Å; R332-L336 HydrophobicContact CG-CG 4.43Å; R332-L336 WeakPolarHBondContact O-CG 3.27Å; R332-L336 PolarHBondContact O-N 3.45Å; C334-L336 VanDerWaalsContact C-N 3.27Å; C334-L336 PolarHBondContact O-N 3.07Å; L336-F426 HydrophobicContact CD2-CD1 4.16Å; L336-F426 HydrophobicContact CD2-CE1 4.19Å |
| 337 | A | 91.9 | Very high | 91.3 | Very high | 11 Ų | 11 | 60 Ų | 60 | 9% | 0.091 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -63.6 | 159.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | I312 R324 S333 C334 K339 | I312-A337 HydrophobicContact CD1-CB 3.96Å; I312-A337 HydrophobicContact CG1-CB 4.45Å; I312-A337 HydrophobicContact CG2-CB 4.22Å; R324-A337 PolarHBondContact NH1-O 2.83Å; S333-A337 PolarHBondContact O-N 3.29Å; S333-A337 VanDerWaalsContact O-N 3.16Å; C334-A337 VanDerWaalsContact O-CB 3.29Å; C334-A337 WeakPolarHBondContact O-CB 3.16Å; C334-A337 PolarHBondContact O-N 3.17Å; C334-A337 VanDerWaalsContact O-N 3.13Å; A337-K339 PolarHBondContact O-N 2.95Å |
| 338 | P | 94 | Very high | 91.4 | Very high | 26 Ų | 26 | 60 Ų | 60 | 17% | 0.169 | 31% | 0.31 | C | S | . | . | trans | -56.9 | 130.6 | 171.9 | -25.5 | 34.8 | 0 | 0 | 0 | 110.9 | Y314 R324 M341 K429 V431 | Y314-P338 VanDerWaalsContact CE1-O 3.32Å; Y314-P338 WeakPolarHBondContact CE1-O 3.42Å; Y314-P338 WeakPolarHBondContact OH-CD 3.05Å; Y314-P338 PolarHBondContact OH-O 3.46Å; R324-P338 WeakPolarHBondContact CB-O 3.48Å; R324-P338 PolarHBondContact NH1-O 3.14Å; R324-P338 VanDerWaalsContact NH1-O 3.09Å; P338-M341 HydrophobicContact CB-CG 3.81Å; P338-M341 HydrophobicContact CB-SD 4.28Å; P338-M341 HydrophobicContact CG-SD 4.48Å; P338-K429 CarbonylContact C-O 3.59Å; P338-K429 WeakPolarHBondContact CA-O 3.24Å; P338-V431 HydrophobicContact CB-CB 4.37Å; P338-V431 HydrophobicContact CB-CG2 3.87Å; P338-V431 HydrophobicContact CG-CB 4.43Å; P338-V431 HydrophobicContact CG-CG2 3.59Å | ||
| 339 | K | 93.4 | Very high | 91.4 | Very high | 91 Ų | 91 | 58.9 Ų | 58.9 | 40% | 0.396 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -75.5 | -44.1 | 172.4 | -176.7 | 179.8 | 178.2 | -177.7 | 0 | 110.2 | R324 A337 A428 K429 | R324-K339 PolarHBondContact N-O 3.41Å; R324-K339 VanDerWaalsContact NH1-CA 3.32Å; A337-K339 PolarHBondContact O-N 2.95Å; K339-A428 HydrophobicContact CB-CB 4.37Å; K339-A428 HydrophobicContact CD-CB 4.06Å; K339-K429 PolarHBondContact N-O 3.24Å |
| 340 | T | 93.9 | Very high | 91.5 | Very high | 24 Ų | 24 | 52.2 Ų | 52.2 | 15% | 0.147 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 146.8 | 173.6 | 67.9 | 0 | 0 | 0 | 0 | 110.4 | C322 E323 H430 V431 | C322-T340 CarbonylContact O-C 3.58Å; C322-T340 WeakPolarHBondContact O-CA 3.41Å; E323-T340 HydrophobicContact CG-CG2 4.49Å; T340-H430 PolarHBondContact OG1-ND1 2.83Å; T340-V431 PolarHBondContact O-N 2.96Å |
| 341 | M | 94.9 | Very high | 91.3 | Very high | 14 Ų | 14 | 48.4 Ų | 48.4 | 7% | 0.069 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 134.3 | 171.9 | -59.8 | -179.2 | 63.2 | 0 | 0 | 108.7 | P306 Y314 Q321 C322 P338 V431 | P306-M341 HydrophobicContact CG-CE 3.66Å; P306-M341 HydrophobicContact CG-SD 3.47Å; P306-M341 WeakPolarHBondContact CG-SD 3.47Å; Y314-M341 HydrophobicContact CD1-SD 4.48Å; Y314-M341 HydrophobicContact CE1-CG 4.34Å; Y314-M341 HydrophobicContact CE1-SD 3.99Å; Q321-M341 CarbonylContact C-O 3.52Å; Q321-M341 WeakPolarHBondContact CA-O 3.32Å; C322-M341 HydrophobicContact CB-CB 4.28Å; C322-M341 PolarHBondContact N-O 3.15Å; C322-M341 PolarHBondContact O-N 3.08Å; P338-M341 HydrophobicContact CB-CG 3.81Å; P338-M341 HydrophobicContact CB-SD 4.28Å; P338-M341 HydrophobicContact CG-SD 4.48Å; M341-V431 CarbonylContact C-O 3.59Å; M341-V431 VanDerWaalsContact CA-O 3.25Å; M341-V431 WeakPolarHBondContact CA-O 3.31Å; M341-V431 HydrophobicContact CG-CB 4.35Å |
| 342 | S | 95.6 | Very high | 91.1 | Very high | 27 Ų | 27 | 50 Ų | 50 | 19% | 0.189 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 148.9 | 177.7 | 57 | 0 | 0 | 0 | 0 | 110.9 | F320 H344 V431 A432 R433 | F320-S342 CarbonylContact O-C 3.58Å; F320-S342 VanDerWaalsContact O-CA 3.28Å; F320-S342 WeakPolarHBondContact O-CA 3.48Å; S342-H344 WeakPolarHBondContact CB-NE2 3Å; S342-H344 PolarHBondContact OG-NE2 2.99Å; S342-V431 PolarHBondContact N-O 2.86Å; S342-A432 CarbonylContact O-C 3.59Å; S342-A432 WeakPolarHBondContact O-CA 3.39Å; S342-R433 PolarHBondContact O-N 3.29Å |
| 343 | F | 95.6 | Very high | 91 | Very high | 12 Ų | 12 | 47.4 Ų | 47.4 | 5% | 0.053 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 125 | -179 | -58.6 | -93.4 | 0 | 0 | 0 | 109.1 | P303 E304 F320 Y345 R433 | P303-F343 HydrophobicContact CB-CB 3.98Å; P303-F343 HydrophobicContact CB-CD1 3.65Å; P303-F343 HydrophobicContact CB-CD2 3.66Å; P303-F343 HydrophobicContact CB-CE1 3.96Å; P303-F343 HydrophobicContact CB-CE2 3.98Å; P303-F343 HydrophobicContact CB-CG 3.48Å; P303-F343 VanDerWaalsContact CB-CG 3.48Å; P303-F343 HydrophobicContact CB-CZ 4.12Å; P303-F343 HydrophobicContact CG-CB 4.03Å; P303-F343 HydrophobicContact CG-CD2 4.02Å; P303-F343 HydrophobicContact CG-CG 3.98Å; E304-F343 WeakPolarHBondContact O-CZ 3.31Å; F320-F343 HydrophobicContact CD1-CB 4.41Å; F320-F343 WeakPolarHBondContact O-CD2 3.37Å; F320-F343 PolarHBondContact O-N 3.31Å; F343-Y345 HydrophobicContact CB-CE2 4.24Å; F343-R433 WeakPolarHBondContact CA-O 3.01Å; F343-R433 HydrophobicContact CD1-CB 4.03Å; F343-R433 HydrophobicContact CD1-CG 4.29Å; F343-R433 HydrophobicContact CE1-CB 4.42Å |
| 344 | H | 95.3 | Very high | 90.7 | Very high | 60 Ų | 60 | 45.4 Ų | 45.4 | 28% | 0.278 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 142 | -176.8 | -59.6 | -88 | 0 | 0 | 0 | 109.1 | S342 F359 R433 V434 H435 | S342-H344 WeakPolarHBondContact CB-NE2 3Å; S342-H344 PolarHBondContact OG-NE2 2.99Å; H344-F359 HydrophobicContact CB-CE2 4.21Å; H344-F359 AromaticContact CD2-CE2 3.79Å; H344-F359 AromaticContact CD2-CZ 3.63Å; H344-F359 AromaticContact CE1-CE2 3.75Å; H344-F359 AromaticContact CE1-CZ 3.87Å; H344-F359 AromaticContact CG-CE2 3.58Å; H344-F359 AromaticContact CG-CZ 3.93Å; H344-F359 AromaticContact ND1-CE2 3.57Å; H344-F359 AromaticContact NE2-CE2 3.88Å; H344-F359 AromaticContact NE2-CZ 3.58Å; H344-R433 PolarHBondContact N-O 2.83Å; H344-V434 HydrophobicContact CB-CG2 4.4Å; H344-H435 PolarHBondContact O-N 3.32Å |
| 345 | Y | 94.6 | Very high | 90.5 | Very high | 41 Ų | 41 | 48.5 Ų | 48.5 | 16% | 0.161 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 121.9 | 179.9 | -60.3 | -94.4 | 0 | 0 | 0 | 108.4 | I292 V301 F320 F343 H435 | I292-Y345 HydrophobicContact CD1-CD2 3.82Å; I292-Y345 HydrophobicContact CD1-CG 4.21Å; I292-Y345 HydrophobicContact CG1-CD2 3.94Å; I292-Y345 HydrophobicContact CG1-CG 3.98Å; I292-Y345 HydrophobicContact CG2-CG 4.22Å; V301-Y345 HydrophobicContact CB-CE1 4.32Å; V301-Y345 HydrophobicContact CB-CE2 4.38Å; V301-Y345 HydrophobicContact CG1-CD1 4.37Å; V301-Y345 HydrophobicContact CG1-CE1 3.79Å; V301-Y345 HydrophobicContact CG2-CD2 4.38Å; V301-Y345 HydrophobicContact CG2-CE1 4.46Å; V301-Y345 HydrophobicContact CG2-CE2 3.76Å; F320-Y345 HydrophobicContact CD1-CD2 4.44Å; F320-Y345 AromaticContact CD1-CE2 3.95Å; F320-Y345 HydrophobicContact CD1-CE2 3.95Å; F320-Y345 HydrophobicContact CE1-CD2 4.13Å; F320-Y345 AromaticContact CE1-CE2 3.76Å; F320-Y345 HydrophobicContact CE1-CE2 3.76Å; F343-Y345 HydrophobicContact CB-CE2 4.24Å; Y345-H435 CarbonylContact C-O 3.56Å; Y345-H435 WeakPolarHBondContact CA-O 3.43Å; Y345-H435 HydrophobicContact CD1-CB 3.47Å; Y345-H435 VanDerWaalsContact CD1-CB 3.47Å; Y345-H435 AromaticContact CD1-CG 3.81Å; Y345-H435 HydrophobicContact CE1-CB 3.82Å; Y345-H435 AromaticContact CE1-CD2 3.61Å; Y345-H435 AromaticContact CE1-CG 3.59Å; Y345-H435 HydrophobicContact CG-CB 4.23Å; Y345-H435 AromaticContact CZ-CD2 3.92Å |
| 346 | L | 93.3 | Very high | 90.6 | Very high | 42 Ų | 42 | 45.8 Ų | 45.8 | 22% | 0.22 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 118.4 | -176.7 | -58.7 | 178.4 | 0 | 0 | 0 | 108.9 | L358 F359 V434 H435 L437 | L346-L358 HydrophobicContact CD1-CB 4.03Å; L346-L358 WeakPolarHBondContact CD1-O 3.02Å; L346-F359 HydrophobicContact CD1-CB 4.42Å; L346-V434 HydrophobicContact CD1-CG1 3.52Å; L346-V434 HydrophobicContact CG-CG1 4Å; L346-H435 PolarHBondContact N-O 3.04Å; L346-L437 PolarHBondContact O-N 3.13Å |
| 347 | S | 91.3 | Very high | 90.6 | Very high | 51 Ų | 51 | 45.5 Ų | 45.5 | 36% | 0.357 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 123.6 | 172.7 | -174.5 | 0 | 0 | 0 | 0 | 109.6 | G295 L437 | G295-S347 PolarHBondContact N-OG 3.45Å; S347-L437 WeakPolarHBondContact CA-O 3.15Å |
| 348 | L | 90.9 | Very high | 90.6 | Very high | 24 Ų | 24 | 46.2 Ų | 46.2 | 13% | 0.126 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 145.2 | -178.2 | -58 | -179.7 | 0 | 0 | 0 | 111.3 | L352 L358 V436 L437 V438 S439 | L348-L352 HydrophobicContact CD1-CD2 3.96Å; L348-L352 HydrophobicContact CD2-CD2 4.16Å; L348-L352 HydrophobicContact CG-CD2 4.48Å; L348-L358 HydrophobicContact CD1-CD1 3.84Å; L348-L358 HydrophobicContact CD1-CD2 3.68Å; L348-L358 HydrophobicContact CD1-CG 4.42Å; L348-L358 HydrophobicContact CD2-CD2 4.04Å; L348-V436 HydrophobicContact CD1-CG1 3.39Å; L348-V436 HydrophobicContact CG-CG1 4.06Å; L348-L437 PolarHBondContact N-O 2.88Å; L348-V438 CarbonylContact O-C 3.38Å; L348-V438 WeakPolarHBondContact O-CA 3.06Å; L348-S439 PolarHBondContact O-N 2.89Å |
| 349 | P | 88.8 | Confident | 90.6 | Very high | 38 Ų | 38 | 46.4 Ų | 46.4 | 25% | 0.247 | 26% | 0.256 | C | S | . | . | trans | -73.1 | 160.6 | 169.9 | 32 | -35 | 0 | 0 | 0 | 111.5 | T351 L352 | P349-T351 VanDerWaalsContact C-N 3.3Å; P349-T351 PolarHBondContact O-N 3.45Å; P349-L352 HydrophobicContact CG-CD1 4.41Å | ||
| 350 | S | 83.4 | Confident | 90.6 | Very high | 28 Ų | 28 | 49.7 Ų | 49.7 | 20% | 0.196 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -18.3 | -179.8 | 57.5 | 0 | 0 | 0 | 0 | 115 | L406 S439 Y441 S442 | S350-L406 VanDerWaalsContact O-O 3.04Å; S350-S439 WeakPolarHBondContact CB-O 3.4Å; S350-Y441 WeakPolarHBondContact CB-O 3.26Å; S350-Y441 PolarHBondContact N-O 2.98Å; S350-Y441 PolarHBondContact OG-O 3.12Å; S350-S442 WeakPolarHBondContact OG-CA 3.42Å; S350-S442 PolarHBondContact OG-N 2.85Å |
| 351 | T | 82.4 | Confident | 90.4 | Very high | 78 Ų | 78 | 49.4 Ų | 49.4 | 48% | 0.479 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | 31.9 | -178 | 53.2 | 0 | 0 | 0 | 0 | 112.6 | P349 Q353 S442 | P349-T351 VanDerWaalsContact C-N 3.3Å; P349-T351 PolarHBondContact O-N 3.45Å; T351-Q353 PolarHBondContact O-N 3.11Å; T351-S442 WeakPolarHBondContact OG1-CA 3.45Å; T351-S442 WeakPolarHBondContact OG1-CB 3.36Å; T351-S442 PolarHBondContact OG1-O 2.95Å |
| 352 | L | 85.8 | Confident | 90 | Very high | 45 Ų | 45 | 51.7 Ų | 51.7 | 24% | 0.236 | 28% | 0.284 | C | S | . | . | trans | -58.5 | 126 | 175.2 | -167.8 | 70.3 | 0 | 0 | 0 | 110.2 | L348 P349 T354 A356 L358 L402 | L348-L352 HydrophobicContact CD1-CD2 3.96Å; L348-L352 HydrophobicContact CD2-CD2 4.16Å; L348-L352 HydrophobicContact CG-CD2 4.48Å; P349-L352 HydrophobicContact CG-CD1 4.41Å; L352-T354 PolarHBondContact O-N 3.28Å; L352-A356 HydrophobicContact CD2-CB 3.85Å; L352-A356 HydrophobicContact CG-CB 4.18Å; L352-L358 HydrophobicContact CD2-CD2 3.83Å; L352-L402 HydrophobicContact CD2-CD2 3.96Å | ||
| 353 | Q | 84.9 | Confident | 89.1 | Confident | 143 Ų | 143 | 51.5 Ų | 51.5 | 67% | 0.668 | 28% | 0.282 | S | S | * | . | trans | -67.9 | 130.9 | 177.3 | -66.2 | -175.7 | -1.3 | 0 | 0 | 110 | T351 A356 | T351-Q353 PolarHBondContact O-N 3.11Å; Q353-A356 WeakPolarHBondContact O-CB 3.49Å | ||
| 354 | T | 83.6 | Confident | 87.5 | Confident | 38 Ų | 38 | 56.1 Ų | 56.1 | 23% | 0.233 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -107.6 | 142.3 | 177.3 | 53.6 | 0 | 0 | 0 | 0 | 110.8 | L352 L402 Q405 | L352-T354 PolarHBondContact O-N 3.28Å; T354-L402 HydrophobicContact CG2-CD2 3.86Å; T354-L402 HydrophobicContact CG2-CG 3.94Å; T354-Q405 HydrophobicContact CG2-CG 4.07Å |
| 355 | P | 87.5 | Confident | 85.6 | Confident | 66 Ų | 66 | 55.1 Ų | 55.1 | 43% | 0.429 | 32% | 0.324 | S | S | . | . | S | Bend | cis | -80.1 | 140 | 6.1 | 31 | -34.1 | 0 | 0 | 0 | 114 | F97 I401 L402 | F97-P355 HydrophobicContact CZ-CB 3.93Å; F97-P355 HydrophobicContact CZ-CG 4.21Å; P355-I401 HydrophobicContact CB-CG2 3.96Å; P355-L402 VanDerWaalsContact CA-O 3.25Å; P355-L402 WeakPolarHBondContact CA-O 3.35Å |
| 356 | A | 89.8 | Confident | 83.4 | Confident | 17 Ų | 17 | 55.7 Ų | 55.7 | 14% | 0.14 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 130.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L352 Q353 L358 I401 L402 | L352-A356 HydrophobicContact CD2-CB 3.85Å; L352-A356 HydrophobicContact CG-CB 4.18Å; Q353-A356 WeakPolarHBondContact O-CB 3.49Å; A356-L358 HydrophobicContact CB-CD2 4.3Å; A356-L358 PolarHBondContact O-N 3.22Å; A356-I401 CarbonylContact O-C 3.47Å; A356-I401 WeakPolarHBondContact O-CA 3.49Å; A356-L402 PolarHBondContact N-O 2.82Å; A356-L402 PolarHBondContact O-N 3Å |
| 357 | T | 92.1 | Very high | 81.1 | Confident | 80 Ų | 80 | 60.4 Ų | 60.4 | 49% | 0.491 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 113.3 | 172.9 | 45.8 | 0 | 0 | 0 | 0 | 109.6 | E399 I401 | T357-E399 HydrophobicContact CG2-CB 4.48Å; T357-I401 HydrophobicContact CG2-CD1 4.47Å; T357-I401 HydrophobicContact CG2-CG1 4.06Å |
| 358 | L | 92.4 | Very high | 79 | Confident | 26 Ų | 26 | 62.1 Ų | 62.1 | 14% | 0.136 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | -34.1 | -174.8 | -62.1 | -171.4 | 0 | 0 | 0 | 113.2 | L346 L348 L352 A356 F388 L400 L402 V436 | L346-L358 HydrophobicContact CD1-CB 4.03Å; L346-L358 WeakPolarHBondContact CD1-O 3.02Å; L348-L358 HydrophobicContact CD1-CD1 3.84Å; L348-L358 HydrophobicContact CD1-CD2 3.68Å; L348-L358 HydrophobicContact CD1-CG 4.42Å; L348-L358 HydrophobicContact CD2-CD2 4.04Å; L352-L358 HydrophobicContact CD2-CD2 3.83Å; A356-L358 HydrophobicContact CB-CD2 4.3Å; A356-L358 PolarHBondContact O-N 3.22Å; L358-F388 HydrophobicContact CD1-CD1 4.24Å; L358-F388 HydrophobicContact CD1-CE1 3.81Å; L358-L400 PolarHBondContact N-O 2.9Å; L358-L402 HydrophobicContact CD1-CB 3.81Å; L358-L402 HydrophobicContact CD2-CB 4.38Å; L358-L402 HydrophobicContact CG-CB 3.97Å; L358-V436 HydrophobicContact CD1-CG2 4.27Å |
| 359 | F | 93.6 | Very high | 77.4 | Confident | 30 Ų | 30 | 70.8 Ų | 70.8 | 13% | 0.132 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 145.4 | -171.7 | -176.8 | -107.7 | 0 | 0 | 0 | 111 | H344 L346 M361 E399 L400 V416 A432 V434 | H344-F359 HydrophobicContact CB-CE2 4.21Å; H344-F359 AromaticContact CD2-CE2 3.79Å; H344-F359 AromaticContact CD2-CZ 3.63Å; H344-F359 AromaticContact CE1-CE2 3.75Å; H344-F359 AromaticContact CE1-CZ 3.87Å; H344-F359 AromaticContact CG-CE2 3.58Å; H344-F359 AromaticContact CG-CZ 3.93Å; H344-F359 AromaticContact ND1-CE2 3.57Å; H344-F359 AromaticContact NE2-CE2 3.88Å; H344-F359 AromaticContact NE2-CZ 3.58Å; L346-F359 HydrophobicContact CD1-CB 4.42Å; F359-M361 HydrophobicContact CD1-CG 3.81Å; F359-M361 HydrophobicContact CE1-CG 3.21Å; F359-M361 HydrophobicContact CE1-SD 3.91Å; F359-M361 HydrophobicContact CZ-CG 4.1Å; F359-E399 CarbonylContact O-C 3.56Å; F359-E399 WeakPolarHBondContact O-CA 3.39Å; F359-L400 HydrophobicContact CB-CB 3.95Å; F359-L400 HydrophobicContact CB-CD2 4.2Å; F359-L400 PolarHBondContact N-O 2.85Å; F359-L400 PolarHBondContact O-N 2.93Å; F359-V416 HydrophobicContact CD1-CG2 4.21Å; F359-V416 HydrophobicContact CE1-CG2 4.3Å; F359-A432 HydrophobicContact CE1-CB 3.68Å; F359-A432 HydrophobicContact CZ-CB 3.89Å; F359-V434 HydrophobicContact CB-CG2 4.49Å; F359-V434 HydrophobicContact CD1-CG2 3.87Å; F359-V434 HydrophobicContact CD2-CG2 4.36Å; F359-V434 HydrophobicContact CE1-CG2 4.07Å; F359-V434 HydrophobicContact CG-CG2 4Å; F359-V434 HydrophobicContact CZ-CG2 4.46Å |
| 360 | R | 92.3 | Very high | 75.9 | Confident | 160 Ų | 160 | 75.9 Ų | 75.9 | 60% | 0.604 | 46% | 0.459 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 135.2 | 177.6 | -63.6 | -169.5 | 163 | 156.6 | -4.7 | 110.1 | T397 G398 E399 | R360-T397 HydrophobicContact CB-CG2 4.44Å; R360-G398 CarbonylContact C-O 3.58Å; R360-G398 WeakPolarHBondContact CA-O 3.46Å; R360-E399 HydrophobicContact CG-CG 4.12Å; R360-E399 IonicContact CZ-OE1 3.47Å; R360-E399 IonicContact NE-OE1 3.76Å; R360-E399 PolarHBondContact NE-OE1 3.21Å; R360-E399 IonicContact NH2-OE1 2.84Å; R360-E399 PolarHBondContact NH2-OE1 3.32Å |
| 361 | M | 90.4 | Very high | 74.7 | Confident | 18 Ų | 18 | 75.6 Ų | 75.6 | 9% | 0.089 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 126.8 | 172 | -65.1 | -174.6 | 74.4 | 0 | 0 | 108.9 | F359 F377 M390 T397 G398 V416 M418 A432 | F359-M361 HydrophobicContact CD1-CG 3.81Å; F359-M361 HydrophobicContact CE1-CG 3.21Å; F359-M361 HydrophobicContact CE1-SD 3.91Å; F359-M361 HydrophobicContact CZ-CG 4.1Å; M361-F377 HydrophobicContact CB-CE1 4.28Å; M361-M390 HydrophobicContact CB-CE 4.34Å; M361-M390 HydrophobicContact CG-CE 4.38Å; M361-M390 HydrophobicContact SD-CE 4.23Å; M361-T397 CarbonylContact O-C 3.44Å; M361-T397 WeakPolarHBondContact O-CA 3.01Å; M361-G398 PolarHBondContact N-O 2.79Å; M361-G398 PolarHBondContact O-N 3.27Å; M361-V416 HydrophobicContact SD-CB 3.92Å; M361-V416 HydrophobicContact SD-CG2 4.06Å; M361-M418 HydrophobicContact CE-CB 3.93Å; M361-A432 HydrophobicContact CE-CB 3.84Å; M361-A432 HydrophobicContact SD-CB 3.99Å |
| 362 | A | 86.8 | Confident | 73.8 | Confident | 62 Ų | 62 | 73 Ų | 73 | 51% | 0.512 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 156.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q396 T397 | A362-Q396 VanDerWaalsContact CA-O 3.29Å; A362-Q396 WeakPolarHBondContact CA-O 3.3Å; A362-T397 HydrophobicContact CB-CG2 4.47Å |
| 363 | T | 77.4 | Confident | 72.8 | Confident | 22 Ų | 22 | 77.6 Ų | 77.6 | 14% | 0.135 | 47% | 0.465 | C | S | . | . | trans | -84.8 | 136.5 | 167.6 | 53.8 | 0 | 0 | 0 | 0 | 110.4 | A365 P372 L375 Q396 M418 | T363-A365 VanDerWaalsContact C-N 3.28Å; T363-A365 PolarHBondContact O-N 2.81Å; T363-P372 HydrophobicContact CG2-CG 4.14Å; T363-L375 HydrophobicContact CG2-CD1 3.75Å; T363-L375 HydrophobicContact CG2-CD2 3.79Å; T363-L375 HydrophobicContact CG2-CG 4.41Å; T363-Q396 PolarHBondContact N-O 2.86Å; T363-M418 HydrophobicContact CG2-CE 3.55Å; T363-M418 HydrophobicContact CG2-SD 3.77Å | ||
| 364 | A | 61.4 | Low | 72.5 | Confident | 109 Ų | 109 | 73 Ų | 73 | 90% | 0.901 | 45% | 0.449 | S | S | * | . | trans | -76.1 | 82.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | A366 | A364-A366 PolarHBondContact O-N 2.92Š| ||
| 365 | A | 55.2 | Low | 72.6 | Confident | 39 Ų | 39 | 71.5 Ų | 71.5 | 32% | 0.322 | 44% | 0.439 | S | S | . | . | trans | -70.6 | 113.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | T363 | T363-A365 VanDerWaalsContact C-N 3.28Å; T363-A365 PolarHBondContact O-N 2.81Å | ||
| 366 | A | 48.6 | Very low | 72.5 | Confident | 54 Ų | 54 | 75.2 Ų | 75.2 | 45% | 0.446 | 44% | 0.444 | S | S | . | . | trans | -59.8 | 142.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | A364 G368 R369 | A364-A366 PolarHBondContact O-N 2.92Å; A366-G368 PolarHBondContact O-N 3.16Å; A366-G368 VanDerWaalsContact O-N 3.09Å; A366-R369 PolarHBondContact O-N 3.19Å; A366-R369 VanDerWaalsContact O-N 3.16Å | ||
| 367 | P | 43.9 | Very low | 72.5 | Confident | 140 Ų | 140 | 75.9 Ų | 75.9 | 91% | 0.909 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | 120.7 | 175.7 | -21.9 | 30.7 | 0 | 0 | 0 | 110.3 | ||
| 368 | G | 48.5 | Very low | 72.3 | Confident | 88 Ų | 88 | 72.9 Ų | 72.9 | 91% | 0.907 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.2 | 0.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | A366 | A366-G368 PolarHBondContact O-N 3.16Å; A366-G368 VanDerWaalsContact O-N 3.09Å |
| 369 | R | 56.8 | Low | 72 | Confident | 205 Ų | 205 | 74 Ų | 74 | 77% | 0.774 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -94.4 | 137.3 | 163.4 | -75.7 | -169.6 | 179.1 | -162.9 | 0.8 | 110 | A366 G371 | A366-R369 PolarHBondContact O-N 3.19Å; A366-R369 VanDerWaalsContact O-N 3.16Å; R369-G371 VanDerWaalsContact C-N 3.35Å; R369-G371 PolarHBondContact O-N 3.11Å |
| 370 | T | 57.7 | Low | 71.5 | Confident | 146 Ų | 146 | 75.2 Ų | 75.2 | 90% | 0.896 | 45% | 0.451 | S | S | * | . | trans | -59.9 | 103.5 | 162.9 | 49.6 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 371 | G | 57.3 | Low | 70.9 | Confident | 21 Ų | 21 | 69 Ų | 69 | 22% | 0.216 | 44% | 0.436 | C | S | . | . | trans | -55.9 | 167.7 | 174 | 0 | 0 | 0 | 0 | 0 | 110.6 | R369 E373 | R369-G371 VanDerWaalsContact C-N 3.35Å; R369-G371 PolarHBondContact O-N 3.11Å; G371-E373 PolarHBondContact O-N 3.27Å | ||
| 372 | P | 63.5 | Low | 69.9 | Low | 25 Ų | 25 | 70 Ų | 70 | 16% | 0.162 | 45% | 0.452 | C | S | . | . | trans | -51.4 | 133.2 | -179.4 | 16.8 | -28.7 | 0 | 0 | 0 | 111.6 | T363 S374 L375 E420 | T363-P372 HydrophobicContact CG2-CG 4.14Å; P372-S374 PolarHBondContact O-N 3.35Å; P372-L375 HydrophobicContact CB-CD2 4.01Å; P372-L375 HydrophobicContact CG-CD2 3.63Å; P372-L375 HydrophobicContact CG-CG 4.19Å; P372-E420 HydrophobicContact CB-CG 3.42Å; P372-E420 VanDerWaalsContact CB-CG 3.42Å; P372-E420 VanDerWaalsContact CB-OE1 3.29Å; P372-E420 WeakPolarHBondContact CB-OE1 3.36Å; P372-E420 HydrophobicContact CG-CG 3.88Å; P372-E420 WeakPolarHBondContact CG-OE1 3.28Å | ||
| 373 | E | 64.4 | Low | 69 | Low | 141 Ų | 141 | 69.2 Ų | 69.2 | 66% | 0.659 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -63.4 | -28.7 | -177.1 | -63.8 | -168.4 | 136.8 | 0 | 0 | 111.7 | G371 D423 | G371-E373 PolarHBondContact O-N 3.27Å; E373-D423 PolarHBondContact OE2-N 2.84Å |
| 374 | S | 78.5 | Confident | 68 | Low | 47 Ų | 47 | 73.5 Ų | 73.5 | 33% | 0.329 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 127.5 | -179.9 | -170.5 | 0 | 0 | 0 | 0 | 112.8 | P372 Y421 | P372-S374 PolarHBondContact O-N 3.35Å; S374-Y421 PolarHBondContact N-O 2.78Å; S374-Y421 PolarHBondContact O-N 3.25Å |
| 375 | L | 85.8 | Confident | 68 | Low | 6 Ų | 6 | 78 Ų | 78 | 3% | 0.031 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 141.9 | 169.9 | -62.8 | -178 | 0 | 0 | 0 | 110.3 | T363 P372 F377 Q396 M418 S419 E420 | T363-L375 HydrophobicContact CG2-CD1 3.75Å; T363-L375 HydrophobicContact CG2-CD2 3.79Å; T363-L375 HydrophobicContact CG2-CG 4.41Å; P372-L375 HydrophobicContact CB-CD2 4.01Å; P372-L375 HydrophobicContact CG-CD2 3.63Å; P372-L375 HydrophobicContact CG-CG 4.19Å; L375-F377 HydrophobicContact CB-CE2 3.84Å; L375-F377 HydrophobicContact CB-CZ 3.91Å; L375-F377 HydrophobicContact CD1-CE2 4.41Å; L375-F377 HydrophobicContact CD1-CZ 3.79Å; L375-Q396 VanDerWaalsContact CD1-O 3.28Å; L375-Q396 WeakPolarHBondContact CD1-O 3.46Å; L375-M418 HydrophobicContact CD1-SD 4.24Å; L375-S419 WeakPolarHBondContact CA-O 3.23Å; L375-E420 HydrophobicContact CD2-CB 4.19Å; L375-E420 HydrophobicContact CD2-CG 4.09Å |
| 376 | R | 86.6 | Confident | 68.7 | Low | 143 Ų | 143 | 76.4 Ų | 76.4 | 54% | 0.54 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 131.7 | 169.8 | -64.5 | -170.6 | 177.1 | -138.5 | -3 | 109.6 | M418 S419 Y421 | R376-M418 CarbonylContact O-C 3.53Å; R376-M418 WeakPolarHBondContact O-CA 3.49Å; R376-S419 PolarHBondContact N-O 3.09Å; R376-S419 PolarHBondContact O-N 2.91Å; R376-Y421 HydrophobicContact CB-CE2 4.12Å; R376-Y421 HydrophobicContact CG-CD2 4.14Å; R376-Y421 HydrophobicContact CG-CE2 3.7Å |
| 377 | F | 89.2 | Confident | 70.3 | Confident | 31 Ų | 31 | 74.7 Ų | 74.7 | 14% | 0.136 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 146.4 | 176.4 | -55.8 | -83.4 | 0 | 0 | 0 | 109.7 | M361 L375 M390 R392 G398 E417 M418 | M361-F377 HydrophobicContact CB-CE1 4.28Å; L375-F377 HydrophobicContact CB-CE2 3.84Å; L375-F377 HydrophobicContact CB-CZ 3.91Å; L375-F377 HydrophobicContact CD1-CE2 4.41Å; L375-F377 HydrophobicContact CD1-CZ 3.79Å; F377-M390 HydrophobicContact CB-CE 3.78Å; F377-M390 HydrophobicContact CB-CG 3.64Å; F377-M390 HydrophobicContact CD1-CE 3.58Å; F377-M390 HydrophobicContact CE1-CE 4.46Å; F377-M390 HydrophobicContact CG-CE 3.94Å; F377-R392 HydrophobicContact CD2-CB 4.32Å; F377-R392 HydrophobicContact CD2-CG 4.34Å; F377-R392 HydrophobicContact CE2-CG 4.17Å; F377-G398 VanDerWaalsContact CZ-N 3.26Å; F377-E417 WeakPolarHBondContact CA-O 3.36Å; F377-M418 HydrophobicContact CD1-CB 4Å; F377-M418 HydrophobicContact CD1-CG 3.88Å; F377-M418 HydrophobicContact CE1-CB 4.08Å; F377-M418 HydrophobicContact CE1-CG 3.54Å; F377-M418 HydrophobicContact CE1-SD 3.71Å; F377-M418 HydrophobicContact CZ-CG 4.3Å; F377-M418 HydrophobicContact CZ-SD 4.32Å |
| 378 | G | 87.1 | Confident | 72.4 | Confident | 18 Ų | 18 | 68.1 Ų | 68.1 | 19% | 0.186 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.2 | 174.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E417 | G378-E417 PolarHBondContact N-O 3.46Å; G378-E417 PolarHBondContact O-N 3.28Å |
| 379 | I | 87.4 | Confident | 74.2 | Confident | 48 Ų | 48 | 64.6 Ų | 64.6 | 25% | 0.246 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 120.3 | 171.1 | -57.3 | 173.4 | 0 | 0 | 0 | 107.2 | N383 F388 M390 L400 V414 D415 V416 | I379-N383 HydrophobicContact CD1-CB 4.25Å; I379-N383 HydrophobicContact CG2-CB 3.87Å; I379-F388 HydrophobicContact CD1-CB 4.16Å; I379-F388 WeakPolarHBondContact CD1-O 2.99Å; I379-M390 HydrophobicContact CD1-CB 4.41Å; I379-M390 HydrophobicContact CG1-CB 3.92Å; I379-L400 HydrophobicContact CD1-CD1 4.42Å; I379-V414 HydrophobicContact CG2-CG1 3.72Å; I379-D415 CarbonylContact C-O 3.53Å; I379-D415 WeakPolarHBondContact CA-O 3.33Å; I379-D415 WeakPolarHBondContact CG2-O 3.4Å; I379-V416 HydrophobicContact CG1-CG1 4.09Å |
| 380 | A | 83.1 | Confident | 75.7 | Confident | 57 Ų | 57 | 56.1 Ų | 56.1 | 47% | 0.471 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | -26 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | D415 E417 | A380-D415 HydrophobicContact CB-CB 4.17Å; A380-D415 PolarHBondContact N-O 2.87Å; A380-E417 HydrophobicContact CB-CB 4.34Å; A380-E417 HydrophobicContact CB-CG 4.2Å; A380-E417 WeakPolarHBondContact CB-OE2 3.05Å |
| 381 | G | 79.5 | Confident | 77 | Confident | 29 Ų | 29 | 52.8 Ų | 52.8 | 30% | 0.299 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -174 | 163 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | D415 | G381-D415 PolarHBondContact O-N 3.37Å |
| 382 | G | 68.5 | Low | 78.4 | Confident | 40 Ų | 40 | 57.2 Ų | 57.2 | 41% | 0.412 | 31% | 0.307 | S | S | . | . | trans | 85.3 | 0.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | S384 S413 | G382-S384 PolarHBondContact O-N 3.41Å; G382-S413 WeakPolarHBondContact CA-O 3.08Å | ||
| 383 | N | 68.1 | Low | 79.3 | Confident | 45 Ų | 45 | 59.2 Ų | 59.2 | 24% | 0.241 | 32% | 0.322 | C | S | . | . | trans | -93 | 62.9 | 175.6 | -169.5 | 25.2 | 0 | 0 | 0 | 112 | I379 R385 G386 T387 F388 | I379-N383 HydrophobicContact CD1-CB 4.25Å; I379-N383 HydrophobicContact CG2-CB 3.87Å; N383-R385 PolarHBondContact O-N 3.42Å; N383-G386 WeakPolarHBondContact OD1-CA 3.34Å; N383-G386 PolarHBondContact OD1-N 2.78Å; N383-T387 PolarHBondContact OD1-N 3.45Å; N383-T387 VanDerWaalsContact OD1-N 3.15Å; N383-F388 PolarHBondContact ND2-O 2.72Å; N383-F388 PolarHBondContact OD1-N 2.03Å | ||
| 384 | S | 56.4 | Low | 80.2 | Confident | 111 Ų | 111 | 56.2 Ų | 56.2 | 78% | 0.776 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -8.6 | -171.2 | 49.1 | 0 | 0 | 0 | 0 | 115.2 | G382 | G382-S384 PolarHBondContact O-N 3.41Š|
| 385 | R | 61.9 | Low | 80.2 | Confident | 203 Ų | 203 | 64 Ų | 64 | 77% | 0.766 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -152.4 | 20.2 | -171.8 | -60.4 | -171.8 | -178 | -176.7 | 0.9 | 116.4 | N383 T387 Q404 | N383-R385 PolarHBondContact O-N 3.42Å; R385-T387 PolarHBondContact O-N 3.24Å; R385-Q404 PolarHBondContact O-NE2 3.47Å |
| 386 | G | 69.4 | Low | 80 | Confident | 6 Ų | 6 | 67.3 Ų | 67.3 | 6% | 0.062 | 35% | 0.348 | C | S | . | . | S | Bend | trans | 65.1 | 25 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | N383 F388 V403 Q404 | N383-G386 WeakPolarHBondContact OD1-CA 3.34Å; N383-G386 PolarHBondContact OD1-N 2.78Å; G386-F388 VanDerWaalsContact C-N 3.29Å; G386-V403 WeakPolarHBondContact O-CG2 3.46Å; G386-Q404 PolarHBondContact O-NE2 2.95Å |
| 387 | T | 82 | Confident | 80 | Confident | 19 Ų | 19 | 61.5 Ų | 61.5 | 12% | 0.117 | 33% | 0.328 | C | S | . | . | trans | -70.6 | -31 | 179.6 | -55.6 | 0 | 0 | 0 | 0 | 111.3 | N383 R385 L402 V403 Q404 L406 | N383-T387 PolarHBondContact OD1-N 3.45Å; N383-T387 VanDerWaalsContact OD1-N 3.15Å; R385-T387 PolarHBondContact O-N 3.24Å; T387-L402 HydrophobicContact CG2-CD1 3.78Å; T387-V403 VanDerWaalsContact O-CG2 3.23Å; T387-V403 WeakPolarHBondContact O-CG2 3.03Å; T387-V403 PolarHBondContact O-N 2.88Å; T387-Q404 HydrophobicContact CG2-CB 4.33Å; T387-L406 HydrophobicContact CG2-CD2 3.51Å | ||
| 388 | F | 88.3 | Confident | 80.1 | Confident | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.009 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 142.6 | 178.3 | -53.7 | -89.1 | 0 | 0 | 0 | 110 | L358 I379 N383 G386 L400 I401 L402 L406 I412 V414 V436 | L358-F388 HydrophobicContact CD1-CD1 4.24Å; L358-F388 HydrophobicContact CD1-CE1 3.81Å; I379-F388 HydrophobicContact CD1-CB 4.16Å; I379-F388 WeakPolarHBondContact CD1-O 2.99Å; N383-F388 PolarHBondContact ND2-O 2.72Å; N383-F388 PolarHBondContact OD1-N 2.03Å; G386-F388 VanDerWaalsContact C-N 3.29Å; F388-L400 HydrophobicContact CB-CD1 3.79Å; F388-L400 HydrophobicContact CD1-CD1 4.43Å; F388-L400 HydrophobicContact CD1-CG 4.44Å; F388-L400 HydrophobicContact CG-CD1 4.45Å; F388-I401 CarbonylContact C-O 3.57Å; F388-I401 WeakPolarHBondContact CA-O 3.47Å; F388-L402 HydrophobicContact CD1-CD1 3.94Å; F388-L402 HydrophobicContact CE1-CD1 3.55Å; F388-L402 HydrophobicContact CZ-CD1 4.02Å; F388-L406 HydrophobicContact CZ-CD1 4.36Å; F388-I412 HydrophobicContact CE2-CG2 3.8Å; F388-I412 HydrophobicContact CZ-CD1 4.44Å; F388-I412 HydrophobicContact CZ-CG2 4.16Å; F388-V414 HydrophobicContact CD1-CG2 4.36Å; F388-V414 HydrophobicContact CD2-CG2 3.42Å; F388-V414 VanDerWaalsContact CD2-CG2 3.42Å; F388-V414 HydrophobicContact CE1-CG2 4.36Å; F388-V414 HydrophobicContact CE2-CG2 3.44Å; F388-V414 VanDerWaalsContact CE2-CG2 3.44Å; F388-V414 HydrophobicContact CG-CG2 3.91Å; F388-V414 HydrophobicContact CZ-CG2 3.92Å; F388-V436 HydrophobicContact CE1-CG2 4.19Å; F388-V436 HydrophobicContact CZ-CG2 4.34Å |
| 389 | V | 87.5 | Confident | 80.3 | Confident | 14 Ų | 14 | 60.1 Ų | 60.1 | 9% | 0.085 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 137.3 | 171.5 | -176.9 | 0 | 0 | 0 | 0 | 109.1 | F97 H108 I401 V403 | F97-V389 HydrophobicContact CB-CG1 4.03Å; F97-V389 HydrophobicContact CB-CG2 4.35Å; H108-V389 HydrophobicContact CB-CG2 4.29Å; H108-V389 VanDerWaalsContact CD2-CG2 3.46Å; H108-V389 WeakPolarHBondContact CD2-CG2 3.39Å; V389-I401 PolarHBondContact N-O 3.33Å; V389-I401 PolarHBondContact O-N 3.18Å; V389-V403 HydrophobicContact CB-CG1 4.29Å; V389-V403 HydrophobicContact CG2-CB 4.5Å; V389-V403 HydrophobicContact CG2-CG1 3.84Å; V389-V403 HydrophobicContact CG2-CG2 3.84Å |
| 390 | M | 87.5 | Confident | 80.5 | Confident | 26 Ų | 26 | 57.9 Ų | 57.9 | 13% | 0.128 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 117 | 171.1 | -170.1 | 65.1 | 179.3 | 0 | 0 | 108.9 | M361 F377 I379 E399 L400 V416 | M361-M390 HydrophobicContact CB-CE 4.34Å; M361-M390 HydrophobicContact CG-CE 4.38Å; M361-M390 HydrophobicContact SD-CE 4.23Å; F377-M390 HydrophobicContact CB-CE 3.78Å; F377-M390 HydrophobicContact CB-CG 3.64Å; F377-M390 HydrophobicContact CD1-CE 3.58Å; F377-M390 HydrophobicContact CE1-CE 4.46Å; F377-M390 HydrophobicContact CG-CE 3.94Å; I379-M390 HydrophobicContact CD1-CB 4.41Å; I379-M390 HydrophobicContact CG1-CB 3.92Å; M390-E399 WeakPolarHBondContact CA-O 3.32Å; M390-E399 VanDerWaalsContact SD-C 3.5Å; M390-E399 VanDerWaalsContact SD-O 3.35Å; M390-L400 HydrophobicContact SD-CB 4.23Å; M390-V416 HydrophobicContact CB-CG1 4.44Å; M390-V416 HydrophobicContact CE-CG1 4.47Å; M390-V416 HydrophobicContact CG-CG1 4.22Å; M390-V416 HydrophobicContact SD-CG1 3.63Å |
| 391 | Q | 85.8 | Confident | 80.9 | Confident | 77 Ų | 77 | 55.7 Ų | 55.7 | 36% | 0.36 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 142.3 | -178.7 | -179 | 167.7 | -12.8 | 0 | 0 | 111 | F97 G398 E399 I401 | F97-Q391 VanDerWaalsContact CD1-OE1 3.26Å; Q391-G398 CarbonylContact O-C 3.57Å; Q391-G398 WeakPolarHBondContact O-CA 3.38Å; Q391-E399 PolarHBondContact N-O 3.4Å; Q391-E399 PolarHBondContact O-N 3.17Å; Q391-I401 HydrophobicContact CB-CD1 3.96Å |
| 392 | R | 85 | Confident | 81.4 | Confident | 113 Ų | 113 | 54.4 Ų | 54.4 | 43% | 0.426 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 122.9 | 171.1 | -174.4 | 178 | -171.5 | 172.8 | 8.8 | 109.3 | F377 D394 R395 | F377-R392 HydrophobicContact CD2-CB 4.32Å; F377-R392 HydrophobicContact CD2-CG 4.34Å; F377-R392 HydrophobicContact CE2-CG 4.17Å; R392-D394 WeakPolarHBondContact CD-O 3.24Å; R392-D394 WeakPolarHBondContact CG-O 3.36Å; R392-D394 PolarHBondContact NE-O 2.91Å; R392-R395 PolarHBondContact NH2-O 2.93Å |
| 393 | S | 84.3 | Confident | 82.2 | Confident | 68 Ų | 68 | 52.8 Ų | 52.8 | 48% | 0.476 | 25% | 0.254 | S | S | . | . | trans | -90.9 | -45.9 | 177.1 | 177.4 | 0 | 0 | 0 | 0 | 111.3 | T397 E399 | S393-T397 PolarHBondContact N-O 3.31Å; S393-E399 VanDerWaalsContact CB-CD 3.49Å | ||
| 394 | D | 81.7 | Confident | 82.9 | Confident | 78 Ų | 78 | 54.3 Ų | 54.3 | 42% | 0.417 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -138.4 | -167.9 | 175.5 | 69.6 | 39.7 | 0 | 0 | 0 | 111.5 | R392 Q396 T397 | R392-D394 WeakPolarHBondContact CD-O 3.24Å; R392-D394 WeakPolarHBondContact CG-O 3.36Å; R392-D394 PolarHBondContact NE-O 2.91Å; D394-Q396 VanDerWaalsContact C-N 3.25Å; D394-Q396 PolarHBondContact O-N 3.28Å; D394-Q396 WeakPolarHBondContact OD1-CA 3.28Å; D394-Q396 PolarHBondContact OD1-N 3.01Å; D394-T397 VanDerWaalsContact CG-CB 3.47Å; D394-T397 VanDerWaalsContact CG-OG1 3.25Å; D394-T397 PolarHBondContact N-O 3.36Å; D394-T397 WeakPolarHBondContact OD1-CA 3.41Å; D394-T397 VanDerWaalsContact OD1-CB 3.26Å; D394-T397 WeakPolarHBondContact OD1-CB 3.3Å; D394-T397 PolarHBondContact OD1-N 3.26Å; D394-T397 PolarHBondContact OD1-OG1 2.68Å; D394-T397 VanDerWaalsContact OD1-OG1 3.05Å; D394-T397 VanDerWaalsContact OD2-CB 3.32Å; D394-T397 WeakPolarHBondContact OD2-CB 3.42Å; D394-T397 PolarHBondContact OD2-OG1 2.83Å |
| 395 | R | 78.9 | Confident | 84.1 | Confident | 211 Ų | 211 | 55.7 Ų | 55.7 | 80% | 0.796 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -65.6 | -27.1 | -179.3 | -73.7 | -167.6 | 179.4 | -170.9 | 2 | 114.1 | R392 | R392-R395 PolarHBondContact NH2-O 2.93Š|
| 396 | Q | 82.2 | Confident | 85.2 | Confident | 75 Ų | 75 | 46.8 Ų | 46.8 | 35% | 0.35 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -114.5 | -10.9 | -172.4 | -64.7 | -174.9 | -19 | 0 | 0 | 113.6 | A362 T363 L375 D394 | A362-Q396 VanDerWaalsContact CA-O 3.29Å; A362-Q396 WeakPolarHBondContact CA-O 3.3Å; T363-Q396 PolarHBondContact N-O 2.86Å; L375-Q396 VanDerWaalsContact CD1-O 3.28Å; L375-Q396 WeakPolarHBondContact CD1-O 3.46Å; D394-Q396 VanDerWaalsContact C-N 3.25Å; D394-Q396 PolarHBondContact O-N 3.28Å; D394-Q396 WeakPolarHBondContact OD1-CA 3.28Å; D394-Q396 PolarHBondContact OD1-N 3.01Å |
| 397 | T | 86.7 | Confident | 85.8 | Confident | 20 Ų | 20 | 56.9 Ų | 56.9 | 12% | 0.123 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 131.9 | -169.1 | -49.4 | 0 | 0 | 0 | 0 | 111.8 | R360 M361 A362 S393 D394 | R360-T397 HydrophobicContact CB-CG2 4.44Å; M361-T397 CarbonylContact O-C 3.44Å; M361-T397 WeakPolarHBondContact O-CA 3.01Å; A362-T397 HydrophobicContact CB-CG2 4.47Å; S393-T397 PolarHBondContact N-O 3.31Å; D394-T397 VanDerWaalsContact CG-CB 3.47Å; D394-T397 VanDerWaalsContact CG-OG1 3.25Å; D394-T397 PolarHBondContact N-O 3.36Å; D394-T397 WeakPolarHBondContact OD1-CA 3.41Å; D394-T397 VanDerWaalsContact OD1-CB 3.26Å; D394-T397 WeakPolarHBondContact OD1-CB 3.3Å; D394-T397 PolarHBondContact OD1-N 3.26Å; D394-T397 PolarHBondContact OD1-OG1 2.68Å; D394-T397 VanDerWaalsContact OD1-OG1 3.05Å; D394-T397 VanDerWaalsContact OD2-CB 3.32Å; D394-T397 WeakPolarHBondContact OD2-CB 3.42Å; D394-T397 PolarHBondContact OD2-OG1 2.83Å |
| 398 | G | 90 | Very high | 85.6 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 145.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | R360 M361 F377 Q391 | R360-G398 CarbonylContact C-O 3.58Å; R360-G398 WeakPolarHBondContact CA-O 3.46Å; M361-G398 PolarHBondContact N-O 2.79Å; M361-G398 PolarHBondContact O-N 3.27Å; F377-G398 VanDerWaalsContact CZ-N 3.26Å; Q391-G398 CarbonylContact O-C 3.57Å; Q391-G398 WeakPolarHBondContact O-CA 3.38Å |
| 399 | E | 92.4 | Very high | 85.6 | Confident | 21 Ų | 21 | 62.2 Ų | 62.2 | 10% | 0.098 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 131.6 | -176.5 | -55.6 | -172.7 | 144.2 | 0 | 0 | 110.2 | T357 F359 R360 M390 Q391 S393 I401 | T357-E399 HydrophobicContact CG2-CB 4.48Å; F359-E399 CarbonylContact O-C 3.56Å; F359-E399 WeakPolarHBondContact O-CA 3.39Å; R360-E399 HydrophobicContact CG-CG 4.12Å; R360-E399 IonicContact CZ-OE1 3.47Å; R360-E399 IonicContact NE-OE1 3.76Å; R360-E399 PolarHBondContact NE-OE1 3.21Å; R360-E399 IonicContact NH2-OE1 2.84Å; R360-E399 PolarHBondContact NH2-OE1 3.32Å; M390-E399 WeakPolarHBondContact CA-O 3.32Å; M390-E399 VanDerWaalsContact SD-C 3.5Å; M390-E399 VanDerWaalsContact SD-O 3.35Å; Q391-E399 PolarHBondContact N-O 3.4Å; Q391-E399 PolarHBondContact O-N 3.17Å; S393-E399 VanDerWaalsContact CB-CD 3.49Å; E399-I401 HydrophobicContact CB-CG1 4.32Å |
| 400 | L | 92.3 | Very high | 85.6 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 119.5 | 168 | -177.2 | 64.6 | 0 | 0 | 0 | 108.3 | L358 F359 I379 F388 M390 V414 V416 V434 | L358-L400 PolarHBondContact N-O 2.9Å; F359-L400 HydrophobicContact CB-CB 3.95Å; F359-L400 HydrophobicContact CB-CD2 4.2Å; F359-L400 PolarHBondContact N-O 2.85Å; F359-L400 PolarHBondContact O-N 2.93Å; I379-L400 HydrophobicContact CD1-CD1 4.42Å; F388-L400 HydrophobicContact CB-CD1 3.79Å; F388-L400 HydrophobicContact CD1-CD1 4.43Å; F388-L400 HydrophobicContact CD1-CG 4.44Å; F388-L400 HydrophobicContact CG-CD1 4.45Å; M390-L400 HydrophobicContact SD-CB 4.23Å; L400-V414 HydrophobicContact CD1-CG1 4.45Å; L400-V416 HydrophobicContact CD1-CG1 3.83Å; L400-V416 HydrophobicContact CD2-CG2 4.45Å; L400-V434 HydrophobicContact CD2-CB 4.34Å; L400-V434 HydrophobicContact CD2-CG1 4.34Å; L400-V434 HydrophobicContact CD2-CG2 4.31Å |
| 401 | I | 90.2 | Very high | 85.6 | Confident | 11 Ų | 11 | 68.7 Ų | 68.7 | 6% | 0.056 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 127.9 | -174.9 | -53.7 | 178.5 | 0 | 0 | 0 | 108.8 | F97 P355 A356 T357 F388 V389 Q391 E399 V403 | F97-I401 HydrophobicContact CD1-CD1 4.35Å; F97-I401 HydrophobicContact CE1-CD1 3.98Å; F97-I401 HydrophobicContact CE1-CG2 4.21Å; P355-I401 HydrophobicContact CB-CG2 3.96Å; A356-I401 CarbonylContact O-C 3.47Å; A356-I401 WeakPolarHBondContact O-CA 3.49Å; T357-I401 HydrophobicContact CG2-CD1 4.47Å; T357-I401 HydrophobicContact CG2-CG1 4.06Å; F388-I401 CarbonylContact C-O 3.57Å; F388-I401 WeakPolarHBondContact CA-O 3.47Å; V389-I401 PolarHBondContact N-O 3.33Å; V389-I401 PolarHBondContact O-N 3.18Å; Q391-I401 HydrophobicContact CB-CD1 3.96Å; E399-I401 HydrophobicContact CB-CG1 4.32Å; I401-V403 HydrophobicContact CG2-CG1 4.11Å |
| 402 | L | 89.6 | Confident | 85.8 | Confident | 2 Ų | 2 | 66.5 Ų | 66.5 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 117.7 | 167.2 | -176.1 | 71.1 | 0 | 0 | 0 | 109 | L352 T354 P355 A356 L358 T387 F388 Q404 L406 | L352-L402 HydrophobicContact CD2-CD2 3.96Å; T354-L402 HydrophobicContact CG2-CD2 3.86Å; T354-L402 HydrophobicContact CG2-CG 3.94Å; P355-L402 VanDerWaalsContact CA-O 3.25Å; P355-L402 WeakPolarHBondContact CA-O 3.35Å; A356-L402 PolarHBondContact N-O 2.82Å; A356-L402 PolarHBondContact O-N 3Å; L358-L402 HydrophobicContact CD1-CB 3.81Å; L358-L402 HydrophobicContact CD2-CB 4.38Å; L358-L402 HydrophobicContact CG-CB 3.97Å; T387-L402 HydrophobicContact CG2-CD1 3.78Å; F388-L402 HydrophobicContact CD1-CD1 3.94Å; F388-L402 HydrophobicContact CE1-CD1 3.55Å; F388-L402 HydrophobicContact CZ-CD1 4.02Å; L402-Q404 VanDerWaalsContact CD1-O 3.31Å; L402-Q404 WeakPolarHBondContact CD1-O 3.25Å; L402-Q404 WeakPolarHBondContact CG-O 3.41Å; L402-L406 HydrophobicContact CD1-CD1 3.81Å; L402-L406 HydrophobicContact CD1-CD2 4.07Å; L402-L406 HydrophobicContact CD1-CG 3.78Å; L402-L406 HydrophobicContact CD2-CD1 4.11Å; L402-L406 HydrophobicContact CD2-CG 4.08Å |
| 403 | V | 86.1 | Confident | 86.1 | Confident | 7 Ų | 7 | 63.7 Ų | 63.7 | 4% | 0.042 | 32% | 0.315 | C | S | . | . | trans | -107.3 | -13.3 | -177 | -69.2 | 0 | 0 | 0 | 0 | 113.3 | F97 V110 G386 T387 V389 I401 | F97-V403 HydrophobicContact CD1-CG1 4.42Å; F97-V403 HydrophobicContact CD2-CG1 4.03Å; F97-V403 HydrophobicContact CE1-CG1 4.34Å; F97-V403 HydrophobicContact CE2-CG1 3.93Å; F97-V403 HydrophobicContact CG-CG1 4.29Å; F97-V403 HydrophobicContact CZ-CG1 4.1Å; V110-V403 HydrophobicContact CG2-CB 3.79Å; V110-V403 HydrophobicContact CG2-CG1 4.15Å; G386-V403 WeakPolarHBondContact O-CG2 3.46Å; T387-V403 VanDerWaalsContact O-CG2 3.23Å; T387-V403 WeakPolarHBondContact O-CG2 3.03Å; T387-V403 PolarHBondContact O-N 2.88Å; V389-V403 HydrophobicContact CB-CG1 4.29Å; V389-V403 HydrophobicContact CG2-CB 4.5Å; V389-V403 HydrophobicContact CG2-CG1 3.84Å; V389-V403 HydrophobicContact CG2-CG2 3.84Å; I401-V403 HydrophobicContact CG2-CG1 4.11Å | ||
| 404 | Q | 82.6 | Confident | 86.5 | Confident | 76 Ų | 76 | 60.5 Ų | 60.5 | 36% | 0.355 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -125.9 | 138.7 | 177.2 | -65.9 | 176.1 | 47.6 | 0 | 0 | 109.9 | R385 G386 T387 L402 | R385-Q404 PolarHBondContact O-NE2 3.47Å; G386-Q404 PolarHBondContact O-NE2 2.95Å; T387-Q404 HydrophobicContact CG2-CB 4.33Å; L402-Q404 VanDerWaalsContact CD1-O 3.31Å; L402-Q404 WeakPolarHBondContact CD1-O 3.25Å; L402-Q404 WeakPolarHBondContact CG-O 3.41Å |
| 405 | Q | 82.4 | Confident | 87.1 | Confident | 141 Ų | 141 | 58.1 Ų | 58.1 | 66% | 0.659 | 28% | 0.28 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 139.5 | 177.6 | -71.7 | 180 | -16.7 | 0 | 0 | 111.3 | T354 | T354-Q405 HydrophobicContact CG2-CG 4.07Š|
| 406 | L | 84.2 | Confident | 87.8 | Confident | 15 Ų | 15 | 48.1 Ų | 48.1 | 8% | 0.079 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -101.6 | 124.1 | 178.7 | -62.8 | 179.7 | 0 | 0 | 0 | 109.6 | S350 T387 F388 L402 I412 V436 V438 | S350-L406 VanDerWaalsContact O-O 3.04Å; T387-L406 HydrophobicContact CG2-CD2 3.51Å; F388-L406 HydrophobicContact CZ-CD1 4.36Å; L402-L406 HydrophobicContact CD1-CD1 3.81Å; L402-L406 HydrophobicContact CD1-CD2 4.07Å; L402-L406 HydrophobicContact CD1-CG 3.78Å; L402-L406 HydrophobicContact CD2-CD1 4.11Å; L402-L406 HydrophobicContact CD2-CG 4.08Å; L406-I412 HydrophobicContact CD1-CD1 4.13Å; L406-I412 HydrophobicContact CD2-CD1 3.54Å; L406-I412 HydrophobicContact CG-CD1 4.43Å; L406-V436 HydrophobicContact CD1-CG1 3.97Å; L406-V438 HydrophobicContact CB-CG1 4.32Å; L406-V438 HydrophobicContact CB-CG2 3.92Å; L406-V438 HydrophobicContact CD1-CG2 3.69Å; L406-V438 HydrophobicContact CG-CG2 4.44Å |
| 407 | R | 82.1 | Confident | 88.3 | Confident | 219 Ų | 219 | 46.6 Ų | 46.6 | 83% | 0.826 | 24% | 0.235 | S | C | * | . | P | Polyproline II helix | trans | -84.5 | 125.2 | 170.8 | -65.5 | -174.1 | -178.8 | 178.8 | -0.2 | 109.5 | Q410 | R407-Q410 VanDerWaalsContact O-CG 3.28Å; R407-Q410 WeakPolarHBondContact O-CG 3.43Å; R407-Q410 PolarHBondContact O-NE2 2.94Å |
| 408 | G | 78.8 | Confident | 88.5 | Confident | 28 Ų | 28 | 46.1 Ų | 46.1 | 29% | 0.289 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -82.9 | 168.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 409 | P | 86.6 | Confident | 88.6 | Confident | 105 Ų | 105 | 46.6 Ų | 46.6 | 68% | 0.682 | 24% | 0.235 | S | C | * | . | S | Bend | cis | -83.1 | 127.8 | -11.6 | 31.9 | -31 | 0 | 0 | 0 | 111.1 | V438 P440 | P409-V438 WeakPolarHBondContact CA-O 3.36Å; P409-P440 HydrophobicContact CB-CB 4.24Å; P409-P440 HydrophobicContact CG-CB 4.43Å |
| 410 | Q | 88 | Confident | 88.4 | Confident | 76 Ų | 76 | 48 Ų | 48 | 36% | 0.355 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 153.2 | 175.4 | 63.9 | -178.6 | -13.1 | 0 | 0 | 111.6 | R407 I412 V438 | R407-Q410 VanDerWaalsContact O-CG 3.28Å; R407-Q410 WeakPolarHBondContact O-CG 3.43Å; R407-Q410 PolarHBondContact O-NE2 2.94Å; Q410-I412 HydrophobicContact CG-CD1 4.29Å; Q410-I412 HydrophobicContact CG-CG1 4.34Å; Q410-V438 HydrophobicContact CG-CB 4.07Å; Q410-V438 HydrophobicContact CG-CG2 3.95Å; Q410-V438 PolarHBondContact N-O 2.81Å; Q410-V438 PolarHBondContact O-N 3.46Å |
| 411 | E | 88.7 | Confident | 88.1 | Confident | 99 Ų | 99 | 50.8 Ų | 50.8 | 46% | 0.463 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 130.2 | 170.3 | 175.1 | 169.5 | -178.3 | 0 | 0 | 109.8 | R299 H435 V436 L437 | R299-E411 IonicContact CZ-OE2 2.74Å; R299-E411 IonicContact NH1-OE2 3.65Å; R299-E411 IonicContact NH2-OE1 2.73Å; R299-E411 PolarHBondContact NH2-OE1 3.26Å; R299-E411 IonicContact NH2-OE2 3.94Å; R299-E411 PolarHBondContact NH2-OE2 2.92Å; E411-H435 IonicContact OE1-CG 2.76Å; E411-H435 IonicContact OE1-ND1 3.12Å; E411-H435 PolarHBondContact OE1-ND1 2.04Å; E411-H435 VanDerWaalsContact OE1-ND1 3.11Å; E411-V436 WeakPolarHBondContact CA-O 3.08Å; E411-L437 HydrophobicContact CB-CD2 4.32Å; E411-L437 HydrophobicContact CG-CD2 3.72Å |
| 412 | I | 89.9 | Confident | 87.8 | Confident | 31 Ų | 31 | 51.5 Ų | 51.5 | 16% | 0.159 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 125.5 | 178.9 | -53.4 | 170.9 | 0 | 0 | 0 | 108.6 | F388 L406 Q410 V414 V436 | F388-I412 HydrophobicContact CE2-CG2 3.8Å; F388-I412 HydrophobicContact CZ-CD1 4.44Å; F388-I412 HydrophobicContact CZ-CG2 4.16Å; L406-I412 HydrophobicContact CD1-CD1 4.13Å; L406-I412 HydrophobicContact CD2-CD1 3.54Å; L406-I412 HydrophobicContact CG-CD1 4.43Å; Q410-I412 HydrophobicContact CG-CD1 4.29Å; Q410-I412 HydrophobicContact CG-CG1 4.34Å; I412-V414 HydrophobicContact CG2-CG2 4.2Å; I412-V436 PolarHBondContact N-O 2.88Å; I412-V436 PolarHBondContact O-N 3.16Å |
| 413 | S | 91.3 | Very high | 87.5 | Confident | 55 Ų | 55 | 57.8 Ų | 57.8 | 39% | 0.385 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 127.7 | 173.2 | 61 | 0 | 0 | 0 | 0 | 110.6 | G382 V434 | G382-S413 WeakPolarHBondContact CA-O 3.08Å; S413-V434 CarbonylContact C-O 3.55Å; S413-V434 WeakPolarHBondContact CA-O 3.17Å |
| 414 | V | 92.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 126.1 | 175.8 | -175.4 | 0 | 0 | 0 | 0 | 109.3 | I379 F388 L400 I412 V434 | I379-V414 HydrophobicContact CG2-CG1 3.72Å; F388-V414 HydrophobicContact CD1-CG2 4.36Å; F388-V414 HydrophobicContact CD2-CG2 3.42Å; F388-V414 VanDerWaalsContact CD2-CG2 3.42Å; F388-V414 HydrophobicContact CE1-CG2 4.36Å; F388-V414 HydrophobicContact CE2-CG2 3.44Å; F388-V414 VanDerWaalsContact CE2-CG2 3.44Å; F388-V414 HydrophobicContact CG-CG2 3.91Å; F388-V414 HydrophobicContact CZ-CG2 3.92Å; L400-V414 HydrophobicContact CD1-CG1 4.45Å; I412-V414 HydrophobicContact CG2-CG2 4.2Å; V414-V434 PolarHBondContact N-O 3Å; V414-V434 PolarHBondContact O-N 2.97Å |
| 415 | D | 93.3 | Very high | 87.4 | Confident | 29 Ų | 29 | 67.8 Ų | 67.8 | 16% | 0.155 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 107.4 | 175.4 | -74.1 | -2.7 | 0 | 0 | 0 | 108.6 | I379 A380 G381 V431 R433 | I379-D415 CarbonylContact C-O 3.53Å; I379-D415 WeakPolarHBondContact CA-O 3.33Å; I379-D415 WeakPolarHBondContact CG2-O 3.4Å; A380-D415 HydrophobicContact CB-CB 4.17Å; A380-D415 PolarHBondContact N-O 2.87Å; G381-D415 PolarHBondContact O-N 3.37Å; D415-V431 HydrophobicContact CB-CG1 4.44Å; D415-R433 WeakPolarHBondContact OD1-CB 3.41Å; D415-R433 WeakPolarHBondContact OD1-CG 3.5Å; D415-R433 IonicContact OD1-CZ 3.82Å; D415-R433 IonicContact OD1-NE 3.48Å; D415-R433 PolarHBondContact OD1-NE 2.91Å; D415-R433 IonicContact OD1-NH2 3.24Å; D415-R433 IonicContact OD2-CZ 3.99Å; D415-R433 IonicContact OD2-NE 3.69Å; D415-R433 PolarHBondContact OD2-NE 2.03Å; D415-R433 IonicContact OD2-NH2 2.71Å; D415-R433 PolarHBondContact OD2-NH2 2.91Å |
| 416 | V | 93.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 137.9 | 173.8 | -100.7 | 0 | 0 | 0 | 0 | 110.5 | F359 M361 I379 M390 L400 V431 A432 V434 | F359-V416 HydrophobicContact CD1-CG2 4.21Å; F359-V416 HydrophobicContact CE1-CG2 4.3Å; M361-V416 HydrophobicContact SD-CB 3.92Å; M361-V416 HydrophobicContact SD-CG2 4.06Å; I379-V416 HydrophobicContact CG1-CG1 4.09Å; M390-V416 HydrophobicContact CB-CG1 4.44Å; M390-V416 HydrophobicContact CE-CG1 4.47Å; M390-V416 HydrophobicContact CG-CG1 4.22Å; M390-V416 HydrophobicContact SD-CG1 3.63Å; L400-V416 HydrophobicContact CD1-CG1 3.83Å; L400-V416 HydrophobicContact CD2-CG2 4.45Å; V416-V431 CarbonylContact O-C 3.57Å; V416-V431 WeakPolarHBondContact O-CA 3.46Å; V416-A432 HydrophobicContact CG2-CB 4.11Å; V416-A432 VanDerWaalsContact CG2-O 3.29Å; V416-A432 WeakPolarHBondContact CG2-O 3.38Å; V416-A432 PolarHBondContact N-O 2.95Å; V416-A432 PolarHBondContact O-N 2.95Å; V416-V434 HydrophobicContact CG2-CG2 3.72Å |
| 417 | E | 92.6 | Very high | 87.8 | Confident | 44 Ų | 44 | 68 Ų | 68 | 21% | 0.206 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 144.4 | -178.8 | 61 | 172.4 | -134.1 | 0 | 0 | 112.5 | F377 G378 A380 K429 H430 V431 | F377-E417 WeakPolarHBondContact CA-O 3.36Å; G378-E417 PolarHBondContact N-O 3.46Å; G378-E417 PolarHBondContact O-N 3.28Å; A380-E417 HydrophobicContact CB-CB 4.34Å; A380-E417 HydrophobicContact CB-CG 4.2Å; A380-E417 WeakPolarHBondContact CB-OE2 3.05Å; E417-K429 IonicContact OE1-NZ 3.57Å; E417-K429 WeakPolarHBondContact OE2-CE 3.05Å; E417-K429 IonicContact OE2-NZ 2.97Å; E417-K429 PolarHBondContact OE2-NZ 2.02Å; E417-H430 CarbonylContact C-O 3.59Å; E417-H430 VanDerWaalsContact CA-O 3.31Å; E417-H430 WeakPolarHBondContact CA-O 3.01Å; E417-V431 HydrophobicContact CB-CG2 4.3Å |
| 418 | M | 92 | Very high | 88.1 | Confident | 10 Ų | 10 | 58 Ų | 58 | 5% | 0.049 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 120.7 | 172 | 179.8 | -173.3 | 75.9 | 0 | 0 | 108.9 | M361 T363 L375 R376 F377 K429 H430 | M361-M418 HydrophobicContact CE-CB 3.93Å; T363-M418 HydrophobicContact CG2-CE 3.55Å; T363-M418 HydrophobicContact CG2-SD 3.77Å; L375-M418 HydrophobicContact CD1-SD 4.24Å; R376-M418 CarbonylContact O-C 3.53Å; R376-M418 WeakPolarHBondContact O-CA 3.49Å; F377-M418 HydrophobicContact CD1-CB 4Å; F377-M418 HydrophobicContact CD1-CG 3.88Å; F377-M418 HydrophobicContact CE1-CB 4.08Å; F377-M418 HydrophobicContact CE1-CG 3.54Å; F377-M418 HydrophobicContact CE1-SD 3.71Å; F377-M418 HydrophobicContact CZ-CG 4.3Å; F377-M418 HydrophobicContact CZ-SD 4.32Å; M418-K429 CarbonylContact O-C 3.56Å; M418-K429 WeakPolarHBondContact O-CA 3.33Å; M418-H430 HydrophobicContact CB-CB 4.44Å; M418-H430 HydrophobicContact CE-CB 4.08Å; M418-H430 VanDerWaalsContact CE-CD2 3.46Å; M418-H430 WeakPolarHBondContact CE-CD2 3.06Å; M418-H430 PolarHBondContact N-O 2.54Å; M418-H430 PolarHBondContact O-N 3.33Å |
| 419 | S | 90.8 | Very high | 88.7 | Confident | 10 Ų | 10 | 58.9 Ų | 58.9 | 7% | 0.07 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 130.6 | 176.3 | -61.1 | 0 | 0 | 0 | 0 | 110.8 | L375 R376 A428 | L375-S419 WeakPolarHBondContact CA-O 3.23Å; R376-S419 PolarHBondContact N-O 3.09Å; R376-S419 PolarHBondContact O-N 2.91Å; S419-A428 WeakPolarHBondContact CA-O 3.4Å |
| 420 | E | 89.3 | Confident | 89.1 | Confident | 51 Ų | 51 | 55.4 Ų | 55.4 | 24% | 0.238 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 134.3 | -177.9 | -170.4 | 179.1 | -173.5 | 0 | 0 | 110.8 | P372 L375 Q427 A428 | P372-E420 HydrophobicContact CB-CG 3.42Å; P372-E420 VanDerWaalsContact CB-CG 3.42Å; P372-E420 VanDerWaalsContact CB-OE1 3.29Å; P372-E420 WeakPolarHBondContact CB-OE1 3.36Å; P372-E420 HydrophobicContact CG-CG 3.88Å; P372-E420 WeakPolarHBondContact CG-OE1 3.28Å; L375-E420 HydrophobicContact CD2-CB 4.19Å; L375-E420 HydrophobicContact CD2-CG 4.09Å; E420-Q427 HydrophobicContact CB-CB 4.29Å; E420-Q427 HydrophobicContact CG-CB 4.23Å; E420-Q427 PolarHBondContact O-N 3.21Å; E420-A428 PolarHBondContact N-O 2.74Å |
| 421 | Y | 85.8 | Confident | 89.4 | Confident | 57 Ų | 57 | 52.3 Ų | 52.3 | 22% | 0.224 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 136.8 | 176.5 | -62.2 | -98.6 | 0 | 0 | 0 | 111 | S374 R376 S425 F426 | S374-Y421 PolarHBondContact N-O 2.78Å; S374-Y421 PolarHBondContact O-N 3.25Å; R376-Y421 HydrophobicContact CB-CE2 4.12Å; R376-Y421 HydrophobicContact CG-CD2 4.14Å; R376-Y421 HydrophobicContact CG-CE2 3.7Å; Y421-S425 VanDerWaalsContact CA-O 3.24Å; Y421-S425 WeakPolarHBondContact CA-O 3.02Å; Y421-F426 HydrophobicContact CD1-CB 4.25Å; Y421-F426 HydrophobicContact CE1-CB 3.94Å; Y421-F426 HydrophobicContact CE1-CD2 4.27Å |
| 422 | A | 84.4 | Confident | 89.7 | Confident | 27 Ų | 27 | 47.6 Ų | 47.6 | 22% | 0.223 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 132.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | R424 S425 Q427 | A422-R424 PolarHBondContact O-N 3.35Å; A422-R424 VanDerWaalsContact O-N 3.14Å; A422-S425 PolarHBondContact N-O 2.99Å; A422-S425 WeakPolarHBondContact O-CB 3.43Å; A422-S425 PolarHBondContact O-N 2.71Å; A422-S425 PolarHBondContact O-OG 3.39Å; A422-Q427 HydrophobicContact CB-CG 3.69Å |
| 423 | D | 83.4 | Confident | 89.9 | Confident | 133 Ų | 133 | 49.8 Ų | 49.8 | 71% | 0.711 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52 | 37.9 | -177.2 | -60.2 | -47.9 | 0 | 0 | 0 | 113.1 | E373 S425 | E373-D423 PolarHBondContact OE2-N 2.84Å; D423-S425 PolarHBondContact O-N 3.37Å |
| 424 | R | 80 | Confident | 90.1 | Very high | 240 Ų | 240 | 47.2 Ų | 47.2 | 91% | 0.906 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 5.6 | -174.2 | -51.2 | -178.9 | 176.5 | -161.9 | -1.3 | 115.5 | A422 | A422-R424 PolarHBondContact O-N 3.35Å; A422-R424 VanDerWaalsContact O-N 3.14Å |
| 425 | S | 84.9 | Confident | 90.1 | Very high | 53 Ų | 53 | 48.5 Ų | 48.5 | 37% | 0.371 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 139.5 | 173.9 | 70.8 | 0 | 0 | 0 | 0 | 110.8 | Y421 A422 D423 Q427 | Y421-S425 VanDerWaalsContact CA-O 3.24Å; Y421-S425 WeakPolarHBondContact CA-O 3.02Å; A422-S425 PolarHBondContact N-O 2.99Å; A422-S425 WeakPolarHBondContact O-CB 3.43Å; A422-S425 PolarHBondContact O-N 2.71Å; A422-S425 PolarHBondContact O-OG 3.39Å; D423-S425 PolarHBondContact O-N 3.37Å; S425-Q427 PolarHBondContact O-N 3.08Å; S425-Q427 PolarHBondContact OG-NE2 2.04Å |
| 426 | F | 87.7 | Confident | 90.1 | Very high | 59 Ų | 59 | 47.1 Ų | 47.1 | 26% | 0.259 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 129 | 175.9 | 171.6 | -91.5 | 0 | 0 | 0 | 109.9 | H335 L336 Y421 A428 K429 | H335-F426 WeakPolarHBondContact O-CE1 3.24Å; L336-F426 HydrophobicContact CD2-CD1 4.16Å; L336-F426 HydrophobicContact CD2-CE1 4.19Å; Y421-F426 HydrophobicContact CD1-CB 4.25Å; Y421-F426 HydrophobicContact CE1-CB 3.94Å; Y421-F426 HydrophobicContact CE1-CD2 4.27Å; F426-A428 WeakPolarHBondContact CE2-O 3.42Å; F426-K429 HydrophobicContact CE2-CB 3.94Å; F426-K429 HydrophobicContact CZ-CB 3.67Å |
| 427 | Q | 88.3 | Confident | 90 | Very high | 103 Ų | 103 | 47.4 Ų | 47.4 | 48% | 0.481 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | -56.5 | -178.3 | -64.4 | -61.2 | -45.1 | 0 | 0 | 111.4 | E420 A422 S425 | E420-Q427 HydrophobicContact CB-CB 4.29Å; E420-Q427 HydrophobicContact CG-CB 4.23Å; E420-Q427 PolarHBondContact O-N 3.21Å; A422-Q427 HydrophobicContact CB-CG 3.69Å; S425-Q427 PolarHBondContact O-N 3.08Å; S425-Q427 PolarHBondContact OG-NE2 2.04Å |
| 428 | A | 89.3 | Confident | 89.9 | Confident | 8 Ų | 8 | 45.7 Ų | 45.7 | 7% | 0.066 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 158.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | K339 S419 E420 F426 | K339-A428 HydrophobicContact CB-CB 4.37Å; K339-A428 HydrophobicContact CD-CB 4.06Å; S419-A428 WeakPolarHBondContact CA-O 3.4Å; E420-A428 PolarHBondContact N-O 2.74Å; F426-A428 WeakPolarHBondContact CE2-O 3.42Å |
| 429 | K | 91.5 | Very high | 89.7 | Confident | 47 Ų | 47 | 45.6 Ų | 45.6 | 20% | 0.204 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 137.5 | 171.9 | 179.2 | 172.4 | -176.7 | 169 | 0 | 109.2 | P338 K339 E417 M418 F426 | P338-K429 CarbonylContact C-O 3.59Å; P338-K429 WeakPolarHBondContact CA-O 3.24Å; K339-K429 PolarHBondContact N-O 3.24Å; E417-K429 IonicContact OE1-NZ 3.57Å; E417-K429 WeakPolarHBondContact OE2-CE 3.05Å; E417-K429 IonicContact OE2-NZ 2.97Å; E417-K429 PolarHBondContact OE2-NZ 2.02Å; M418-K429 CarbonylContact O-C 3.56Å; M418-K429 WeakPolarHBondContact O-CA 3.33Å; F426-K429 HydrophobicContact CE2-CB 3.94Å; F426-K429 HydrophobicContact CZ-CB 3.67Å |
| 430 | H | 93.2 | Very high | 89.4 | Confident | 32 Ų | 32 | 48.5 Ų | 48.5 | 15% | 0.148 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 138 | 178.6 | -56.3 | -89.1 | 0 | 0 | 0 | 108.3 | T340 E417 M418 | T340-H430 PolarHBondContact OG1-ND1 2.83Å; E417-H430 CarbonylContact C-O 3.59Å; E417-H430 VanDerWaalsContact CA-O 3.31Å; E417-H430 WeakPolarHBondContact CA-O 3.01Å; M418-H430 HydrophobicContact CB-CB 4.44Å; M418-H430 HydrophobicContact CE-CB 4.08Å; M418-H430 VanDerWaalsContact CE-CD2 3.46Å; M418-H430 WeakPolarHBondContact CE-CD2 3.06Å; M418-H430 PolarHBondContact N-O 2.54Å; M418-H430 PolarHBondContact O-N 3.33Å |
| 431 | V | 94.6 | Very high | 89.1 | Confident | 10 Ų | 10 | 49.2 Ų | 49.2 | 6% | 0.061 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 135.1 | 178.2 | 175.7 | 0 | 0 | 0 | 0 | 109.3 | P338 T340 M341 S342 D415 V416 E417 | P338-V431 HydrophobicContact CB-CB 4.37Å; P338-V431 HydrophobicContact CB-CG2 3.87Å; P338-V431 HydrophobicContact CG-CB 4.43Å; P338-V431 HydrophobicContact CG-CG2 3.59Å; T340-V431 PolarHBondContact O-N 2.96Å; M341-V431 CarbonylContact C-O 3.59Å; M341-V431 VanDerWaalsContact CA-O 3.25Å; M341-V431 WeakPolarHBondContact CA-O 3.31Å; M341-V431 HydrophobicContact CG-CB 4.35Å; S342-V431 PolarHBondContact N-O 2.86Å; D415-V431 HydrophobicContact CB-CG1 4.44Å; V416-V431 CarbonylContact O-C 3.57Å; V416-V431 WeakPolarHBondContact O-CA 3.46Å; E417-V431 HydrophobicContact CB-CG2 4.3Å |
| 432 | A | 95.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 119.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108 | S342 F359 M361 V416 | S342-A432 CarbonylContact O-C 3.59Å; S342-A432 WeakPolarHBondContact O-CA 3.39Å; F359-A432 HydrophobicContact CE1-CB 3.68Å; F359-A432 HydrophobicContact CZ-CB 3.89Å; M361-A432 HydrophobicContact CE-CB 3.84Å; M361-A432 HydrophobicContact SD-CB 3.99Å; V416-A432 HydrophobicContact CG2-CB 4.11Å; V416-A432 VanDerWaalsContact CG2-O 3.29Å; V416-A432 WeakPolarHBondContact CG2-O 3.38Å; V416-A432 PolarHBondContact N-O 2.95Å; V416-A432 PolarHBondContact O-N 2.95Å |
| 433 | R | 94.9 | Very high | 88.3 | Confident | 78 Ų | 78 | 51.4 Ų | 51.4 | 29% | 0.294 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 109.2 | 171.9 | 177.8 | 164.3 | -66.4 | 159.2 | 2.3 | 108 | S342 F343 H344 D415 H435 | S342-R433 PolarHBondContact O-N 3.29Å; F343-R433 WeakPolarHBondContact CA-O 3.01Å; F343-R433 HydrophobicContact CD1-CB 4.03Å; F343-R433 HydrophobicContact CD1-CG 4.29Å; F343-R433 HydrophobicContact CE1-CB 4.42Å; H344-R433 PolarHBondContact N-O 2.83Å; D415-R433 WeakPolarHBondContact OD1-CB 3.41Å; D415-R433 WeakPolarHBondContact OD1-CG 3.5Å; D415-R433 IonicContact OD1-CZ 3.82Å; D415-R433 IonicContact OD1-NE 3.48Å; D415-R433 PolarHBondContact OD1-NE 2.91Å; D415-R433 IonicContact OD1-NH2 3.24Å; D415-R433 IonicContact OD2-CZ 3.99Å; D415-R433 IonicContact OD2-NE 3.69Å; D415-R433 PolarHBondContact OD2-NE 2.03Å; D415-R433 IonicContact OD2-NH2 2.71Å; D415-R433 PolarHBondContact OD2-NH2 2.91Å; R433-H435 WeakPolarHBondContact CG-NE2 3.01Å |
| 434 | V | 94.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 112.5 | -177.3 | -174.8 | 0 | 0 | 0 | 0 | 108.6 | H344 L346 F359 L400 S413 V414 V416 V436 | H344-V434 HydrophobicContact CB-CG2 4.4Å; L346-V434 HydrophobicContact CD1-CG1 3.52Å; L346-V434 HydrophobicContact CG-CG1 4Å; F359-V434 HydrophobicContact CB-CG2 4.49Å; F359-V434 HydrophobicContact CD1-CG2 3.87Å; F359-V434 HydrophobicContact CD2-CG2 4.36Å; F359-V434 HydrophobicContact CE1-CG2 4.07Å; F359-V434 HydrophobicContact CG-CG2 4Å; F359-V434 HydrophobicContact CZ-CG2 4.46Å; L400-V434 HydrophobicContact CD2-CB 4.34Å; L400-V434 HydrophobicContact CD2-CG1 4.34Å; L400-V434 HydrophobicContact CD2-CG2 4.31Å; S413-V434 CarbonylContact C-O 3.55Å; S413-V434 WeakPolarHBondContact CA-O 3.17Å; V414-V434 PolarHBondContact N-O 3Å; V414-V434 PolarHBondContact O-N 2.97Å; V416-V434 HydrophobicContact CG2-CG2 3.72Å; V434-V436 HydrophobicContact CG1-CG2 4.22Å |
| 435 | H | 93.5 | Very high | 89 | Confident | 27 Ų | 27 | 37.2 Ų | 37.2 | 13% | 0.125 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 115.1 | 172.1 | -67.6 | -98.1 | 0 | 0 | 0 | 108.8 | H344 Y345 L346 E411 R433 L437 | H344-H435 PolarHBondContact O-N 3.32Å; Y345-H435 CarbonylContact C-O 3.56Å; Y345-H435 WeakPolarHBondContact CA-O 3.43Å; Y345-H435 HydrophobicContact CD1-CB 3.47Å; Y345-H435 VanDerWaalsContact CD1-CB 3.47Å; Y345-H435 AromaticContact CD1-CG 3.81Å; Y345-H435 HydrophobicContact CE1-CB 3.82Å; Y345-H435 AromaticContact CE1-CD2 3.61Å; Y345-H435 AromaticContact CE1-CG 3.59Å; Y345-H435 HydrophobicContact CG-CB 4.23Å; Y345-H435 AromaticContact CZ-CD2 3.92Å; L346-H435 PolarHBondContact N-O 3.04Å; E411-H435 IonicContact OE1-CG 2.76Å; E411-H435 IonicContact OE1-ND1 3.12Å; E411-H435 PolarHBondContact OE1-ND1 2.04Å; E411-H435 VanDerWaalsContact OE1-ND1 3.11Å; R433-H435 WeakPolarHBondContact CG-NE2 3.01Å; H435-L437 HydrophobicContact CB-CD2 4.21Å |
| 436 | V | 92.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 120.2 | 176.4 | 179.7 | 0 | 0 | 0 | 0 | 108.8 | L348 L358 F388 L406 E411 I412 V434 V438 | L348-V436 HydrophobicContact CD1-CG1 3.39Å; L348-V436 HydrophobicContact CG-CG1 4.06Å; L358-V436 HydrophobicContact CD1-CG2 4.27Å; F388-V436 HydrophobicContact CE1-CG2 4.19Å; F388-V436 HydrophobicContact CZ-CG2 4.34Å; L406-V436 HydrophobicContact CD1-CG1 3.97Å; E411-V436 WeakPolarHBondContact CA-O 3.08Å; I412-V436 PolarHBondContact N-O 2.88Å; I412-V436 PolarHBondContact O-N 3.16Å; V434-V436 HydrophobicContact CG1-CG2 4.22Å; V436-V438 HydrophobicContact CG1-CG2 4.15Å |
| 437 | L | 92 | Very high | 89.3 | Confident | 6 Ų | 6 | 35 Ų | 35 | 3% | 0.031 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 103.6 | -173.3 | -43.3 | -177.3 | 0 | 0 | 0 | 107.4 | I292 T294 R299 L346 S347 L348 E411 H435 | I292-L437 HydrophobicContact CG2-CD1 4.42Å; T294-L437 HydrophobicContact CG2-CD1 3.51Å; R299-L437 VanDerWaalsContact CZ-CD1 3.49Å; R299-L437 VanDerWaalsContact CZ-CD2 3.46Å; L346-L437 PolarHBondContact O-N 3.13Å; S347-L437 WeakPolarHBondContact CA-O 3.15Å; L348-L437 PolarHBondContact N-O 2.88Å; E411-L437 HydrophobicContact CB-CD2 4.32Å; E411-L437 HydrophobicContact CG-CD2 3.72Å; H435-L437 HydrophobicContact CB-CD2 4.21Å |
| 438 | V | 90.6 | Very high | 89.4 | Confident | 8 Ų | 8 | 30.8 Ų | 30.8 | 5% | 0.048 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 116.3 | -175.9 | -170.3 | 0 | 0 | 0 | 0 | 108.8 | L348 L406 P409 Q410 V436 | L348-V438 CarbonylContact O-C 3.38Å; L348-V438 WeakPolarHBondContact O-CA 3.06Å; L406-V438 HydrophobicContact CB-CG1 4.32Å; L406-V438 HydrophobicContact CB-CG2 3.92Å; L406-V438 HydrophobicContact CD1-CG2 3.69Å; L406-V438 HydrophobicContact CG-CG2 4.44Å; P409-V438 WeakPolarHBondContact CA-O 3.36Å; Q410-V438 HydrophobicContact CG-CB 4.07Å; Q410-V438 HydrophobicContact CG-CG2 3.95Å; Q410-V438 PolarHBondContact N-O 2.81Å; Q410-V438 PolarHBondContact O-N 3.46Å; V436-V438 HydrophobicContact CG1-CG2 4.15Å |
| 439 | S | 87.2 | Confident | 89.4 | Confident | 9 Ų | 9 | 32.3 Ų | 32.3 | 6% | 0.063 | 16% | 0.159 | C | C | . | . | trans | -63 | 147.8 | 174.8 | 175.5 | 0 | 0 | 0 | 0 | 111 | L348 S350 Y441 | L348-S439 PolarHBondContact O-N 2.89Å; S350-S439 WeakPolarHBondContact CB-O 3.4Å; S439-Y441 PolarHBondContact O-N 3.49Å; S439-Y441 PolarHBondContact OG-N 3.27Å; S439-Y441 VanDerWaalsContact OG-N 3.11Å | ||
| 440 | P | 84.6 | Confident | 89.2 | Confident | 70 Ų | 70 | 31.2 Ų | 31.2 | 46% | 0.455 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -66.9 | -20 | 169.5 | 29.2 | -35.4 | 0 | 0 | 0 | 112.6 | P409 | P409-P440 HydrophobicContact CB-CB 4.24Å; P409-P440 HydrophobicContact CG-CB 4.43Å |
| 441 | Y | 83.9 | Confident | 88.9 | Confident | 67 Ų | 67 | 31.2 Ų | 31.2 | 26% | 0.263 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -88.8 | 156.3 | -178.2 | -54.9 | -65.6 | 0 | 0 | 0 | 111.8 | H246 P260 Y263 S350 S439 F443 | H246-Y441 AromaticContact CE1-CE1 3.87Å; P260-Y441 HydrophobicContact CB-CE1 3.77Å; P260-Y441 HydrophobicContact CB-CE2 4.06Å; P260-Y441 VanDerWaalsContact CB-CZ 3.45Å; P260-Y441 WeakPolarHBondContact CB-OH 3.39Å; P260-Y441 HydrophobicContact CG-CD1 4.17Å; P260-Y441 HydrophobicContact CG-CD2 4.34Å; P260-Y441 HydrophobicContact CG-CE1 3.8Å; P260-Y441 HydrophobicContact CG-CE2 3.99Å; P260-Y441 HydrophobicContact CG-CG 4.44Å; Y263-Y441 AromaticContact CE2-CD2 3.72Å; Y263-Y441 HydrophobicContact CE2-CD2 3.72Å; Y263-Y441 AromaticContact CE2-CE2 3.87Å; Y263-Y441 HydrophobicContact CE2-CE2 3.87Å; S350-Y441 WeakPolarHBondContact CB-O 3.26Å; S350-Y441 PolarHBondContact N-O 2.98Å; S350-Y441 PolarHBondContact OG-O 3.12Å; S439-Y441 PolarHBondContact O-N 3.49Å; S439-Y441 PolarHBondContact OG-N 3.27Å; S439-Y441 VanDerWaalsContact OG-N 3.11Å; Y441-F443 HydrophobicContact CD1-CE1 4.14Å; Y441-F443 HydrophobicContact CD1-CZ 4.36Å; Y441-F443 HydrophobicContact CG-CE1 4.11Å; Y441-F443 HydrophobicContact CG-CZ 4.12Å |
| 442 | S | 78.7 | Confident | 88.5 | Confident | 47 Ų | 47 | 32.9 Ų | 32.9 | 33% | 0.329 | 16% | 0.164 | S | C | . | . | trans | -98 | 3.6 | -176 | 65.5 | 0 | 0 | 0 | 0 | 113.7 | S350 T351 | S350-S442 WeakPolarHBondContact OG-CA 3.42Å; S350-S442 PolarHBondContact OG-N 2.85Å; T351-S442 WeakPolarHBondContact OG1-CA 3.45Å; T351-S442 WeakPolarHBondContact OG1-CB 3.36Å; T351-S442 PolarHBondContact OG1-O 2.95Å | ||
| 443 | F | 73.8 | Confident | 87.8 | Confident | 83 Ų | 83 | 35.9 Ų | 35.9 | 36% | 0.364 | 18% | 0.179 | S | C | . | . | trans | -123.1 | 0 | -171.6 | 57.4 | -97.8 | 0 | 0 | 0 | 111.6 | V245 H246 P260 Y263 C272 Y441 | V245-F443 HydrophobicContact CG1-CB 3.47Å; V245-F443 VanDerWaalsContact CG1-CB 3.47Å; V245-F443 HydrophobicContact CG1-CD1 3.63Å; V245-F443 HydrophobicContact CG1-CD2 3.64Å; V245-F443 HydrophobicContact CG1-CE1 4.24Å; V245-F443 HydrophobicContact CG1-CE2 4.25Å; V245-F443 HydrophobicContact CG1-CG 3.29Å; H246-F443 HydrophobicContact CB-CE1 3.8Å; H246-F443 HydrophobicContact CB-CZ 4.01Å; H246-F443 AromaticContact CG-CE1 3.99Å; H246-F443 AromaticContact ND1-CE1 3.72Å; P260-F443 HydrophobicContact CG-CZ 3.72Å; Y263-F443 AromaticContact CD1-CE2 3.85Å; Y263-F443 HydrophobicContact CD1-CE2 3.85Å; Y263-F443 HydrophobicContact CE1-CD2 4.39Å; Y263-F443 AromaticContact CE1-CE2 3.72Å; Y263-F443 HydrophobicContact CE1-CE2 3.72Å; Y263-F443 HydrophobicContact CG-CE2 4.4Å; C272-F443 HydrophobicContact CB-CD2 4.33Å; C272-F443 HydrophobicContact CB-CE2 3.72Å; C272-F443 HydrophobicContact CB-CZ 4.31Å; Y441-F443 HydrophobicContact CD1-CE1 4.14Å; Y441-F443 HydrophobicContact CD1-CZ 4.36Å; Y441-F443 HydrophobicContact CG-CE1 4.11Å; Y441-F443 HydrophobicContact CG-CZ 4.12Å |
Retrieved 443 of 443 residues in 358.4 ms
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