| 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 | 59.6 | Low | 73.9 | Confident | 229 Ų | 229 | 119.8 Ų | 119.8 | 100% | 1.128 | 61% | 0.608 | S | S | * | * | 0 | 125.1 | 0 | -64 | -178.1 | -176.9 | 0 | 0 | 106.7 | |||||
| 2 | K | 76.6 | Confident | 73.6 | Confident | 159 Ų | 159 | 120.2 Ų | 120.2 | 69% | 0.691 | 61% | 0.612 | S | S | * | * | trans | -71.9 | 138.4 | -169.1 | -69.1 | 174.9 | 179.1 | 171.2 | 0 | 107.9 | W4 D5 | K2-W4 PolarHBondContact O-N 3.06Å; K2-D5 WeakPolarHBondContact O-CB 3.49Å; K2-D5 PolarHBondContact O-N 2.96Å | ||
| 3 | L | 72.2 | Confident | 73.1 | Confident | 133 Ų | 133 | 120.5 Ų | 120.5 | 70% | 0.696 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -51 | -28.7 | 179.6 | -166 | 72.1 | 0 | 0 | 0 | 112.4 | D5 V6 L7 | L3-D5 PolarHBondContact O-N 3.49Å; L3-V6 PolarHBondContact O-N 3.46Å; L3-L7 PolarHBondContact O-N 2.99Å; L3-L7 VanDerWaalsContact O-N 3.09Å |
| 4 | W | 76.9 | Confident | 72.5 | Confident | 200 Ų | 200 | 120.1 Ų | 120.1 | 76% | 0.758 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -63.5 | -31.7 | 174.9 | -59.5 | 95.9 | 0 | 0 | 0 | 114.4 | K2 L7 A8 | K2-W4 PolarHBondContact O-N 3.06Å; W4-L7 PolarHBondContact O-N 3.3Å; W4-A8 WeakPolarHBondContact O-CB 3.46Å; W4-A8 PolarHBondContact O-N 2.77Å |
| 5 | D | 71.9 | Confident | 71.6 | Confident | 97 Ų | 97 | 118.4 Ų | 118.4 | 52% | 0.519 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -71.5 | -34.8 | 176.8 | -68.3 | -41.3 | 0 | 0 | 0 | 111.5 | K2 L3 T9 | K2-D5 WeakPolarHBondContact O-CB 3.49Å; K2-D5 PolarHBondContact O-N 2.96Å; L3-D5 PolarHBondContact O-N 3.49Å; D5-T9 WeakPolarHBondContact O-CB 3.41Å; D5-T9 WeakPolarHBondContact O-CG2 3.16Å; D5-T9 PolarHBondContact O-N 3.4Å; D5-T9 VanDerWaalsContact O-N 3.07Å; D5-T9 PolarHBondContact O-OG1 3.07Å |
| 6 | V | 76.8 | Confident | 70.7 | Confident | 90 Ų | 90 | 116.2 Ų | 116.2 | 55% | 0.545 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -72.9 | -38.6 | 176.6 | -178.1 | 0 | 0 | 0 | 0 | 110.4 | L3 T9 C10 | L3-V6 PolarHBondContact O-N 3.46Å; V6-T9 WeakPolarHBondContact CA-OG1 3.42Å; V6-T9 PolarHBondContact O-OG1 3.07Å; V6-C10 VanDerWaalsContact O-CB 3.23Å; V6-C10 WeakPolarHBondContact O-CB 3.3Å; V6-C10 PolarHBondContact O-N 3.02Å |
| 7 | L | 77.2 | Confident | 69.9 | Low | 79 Ų | 79 | 116.8 Ų | 116.8 | 41% | 0.414 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -65.9 | -44.3 | 174.4 | -88.1 | 160.2 | 0 | 0 | 0 | 111.8 | L3 W4 T9 C10 F11 | L3-L7 PolarHBondContact O-N 2.99Å; L3-L7 VanDerWaalsContact O-N 3.09Å; W4-L7 PolarHBondContact O-N 3.3Å; L7-T9 PolarHBondContact O-N 2.9Å; L7-C10 PolarHBondContact O-N 3Å; L7-F11 HydrophobicContact CD2-CE2 4.07Å; L7-F11 VanDerWaalsContact O-CD2 3.27Å; L7-F11 WeakPolarHBondContact O-CD2 3.41Å; L7-F11 PolarHBondContact O-N 3.3Å |
| 8 | A | 79.1 | Confident | 69.2 | Low | 51 Ų | 51 | 114.9 Ų | 114.9 | 42% | 0.421 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -63.2 | -42 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | W4 L12 | W4-A8 WeakPolarHBondContact O-CB 3.46Å; W4-A8 PolarHBondContact O-N 2.77Å; A8-L12 WeakPolarHBondContact O-CB 3.45Å; A8-L12 WeakPolarHBondContact O-CG 3.2Å; A8-L12 PolarHBondContact O-N 3.06Å; A8-L12 VanDerWaalsContact O-N 3.07Å |
| 9 | T | 75.1 | Confident | 68.5 | Low | 80 Ų | 80 | 115.3 Ų | 115.3 | 49% | 0.491 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -67.1 | -37 | 175 | 49.7 | 0 | 0 | 0 | 0 | 112.1 | D5 V6 L7 L13 | D5-T9 WeakPolarHBondContact O-CB 3.41Å; D5-T9 WeakPolarHBondContact O-CG2 3.16Å; D5-T9 PolarHBondContact O-N 3.4Å; D5-T9 VanDerWaalsContact O-N 3.07Å; D5-T9 PolarHBondContact O-OG1 3.07Å; V6-T9 WeakPolarHBondContact CA-OG1 3.42Å; V6-T9 PolarHBondContact O-OG1 3.07Å; L7-T9 PolarHBondContact O-N 2.9Å; T9-L13 WeakPolarHBondContact O-CG 3.3Å; T9-L13 PolarHBondContact O-N 2.73Å; T9-L13 VanDerWaalsContact O-N 3.11Å |
| 10 | C | 72.6 | Confident | 67.6 | Low | 64 Ų | 64 | 121.2 Ų | 121.2 | 43% | 0.432 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -66.8 | -43.5 | 175.7 | -163.4 | 0 | 0 | 0 | 0 | 112.5 | V6 L7 L12 L13 L14 | V6-C10 VanDerWaalsContact O-CB 3.23Å; V6-C10 WeakPolarHBondContact O-CB 3.3Å; V6-C10 PolarHBondContact O-N 3.02Å; L7-C10 PolarHBondContact O-N 3Å; C10-L12 PolarHBondContact O-N 3.26Å; C10-L13 PolarHBondContact O-N 3.17Å; C10-L14 WeakPolarHBondContact O-CD1 3.47Å; C10-L14 WeakPolarHBondContact O-CG 3.45Å; C10-L14 PolarHBondContact O-N 2.7Å |
| 11 | F | 74.8 | Confident | 66.5 | Low | 136 Ų | 136 | 120.7 Ų | 120.7 | 60% | 0.596 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -62.9 | -41.8 | 175.3 | -87.7 | -70.2 | 0 | 0 | 0 | 112.4 | L7 L13 L14 T15 | L7-F11 HydrophobicContact CD2-CE2 4.07Å; L7-F11 VanDerWaalsContact O-CD2 3.27Å; L7-F11 WeakPolarHBondContact O-CD2 3.41Å; L7-F11 PolarHBondContact O-N 3.3Å; F11-L13 VanDerWaalsContact C-N 3.34Å; F11-L13 PolarHBondContact O-N 3.07Å; F11-L14 PolarHBondContact O-N 2.81Å; F11-T15 WeakPolarHBondContact O-CG2 2.93Å; F11-T15 PolarHBondContact O-N 2.93Å; F11-T15 VanDerWaalsContact O-N 3.14Å; F11-T15 PolarHBondContact O-OG1 3.45Å |
| 12 | L | 70.6 | Confident | 66.1 | Low | 124 Ų | 124 | 118 Ų | 118 | 65% | 0.649 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -64 | -37.3 | 177.3 | -74.9 | 169.5 | 0 | 0 | 0 | 112.7 | A8 C10 T15 | A8-L12 WeakPolarHBondContact O-CB 3.45Å; A8-L12 WeakPolarHBondContact O-CG 3.2Å; A8-L12 PolarHBondContact O-N 3.06Å; A8-L12 VanDerWaalsContact O-N 3.07Å; C10-L12 PolarHBondContact O-N 3.26Å; L12-T15 PolarHBondContact O-OG1 3.05Å |
| 13 | L | 67.7 | Low | 64.3 | Low | 124 Ų | 124 | 120.3 Ų | 120.3 | 65% | 0.649 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -72.8 | -29.5 | 176.4 | -71.5 | 172.4 | 0 | 0 | 0 | 113.3 | T9 C10 F11 S16 | T9-L13 WeakPolarHBondContact O-CG 3.3Å; T9-L13 PolarHBondContact O-N 2.73Å; T9-L13 VanDerWaalsContact O-N 3.11Å; C10-L13 PolarHBondContact O-N 3.17Å; F11-L13 VanDerWaalsContact C-N 3.34Å; F11-L13 PolarHBondContact O-N 3.07Å; L13-S16 PolarHBondContact O-OG 2.77Å |
| 14 | L | 63.8 | Low | 63.1 | Low | 115 Ų | 115 | 122.8 Ų | 122.8 | 60% | 0.602 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -76 | -29.4 | 176.7 | -75.2 | 161.4 | 0 | 0 | 0 | 112.4 | C10 F11 S16 | C10-L14 WeakPolarHBondContact O-CD1 3.47Å; C10-L14 WeakPolarHBondContact O-CG 3.45Å; C10-L14 PolarHBondContact O-N 2.7Å; F11-L14 PolarHBondContact O-N 2.81Å; L14-S16 VanDerWaalsContact C-N 3.35Å; L14-S16 PolarHBondContact O-N 3.16Å |
| 15 | T | 60 | Low | 61.1 | Low | 95 Ų | 95 | 119.3 Ų | 119.3 | 58% | 0.583 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -76.7 | -15.5 | 178.2 | 50.6 | 0 | 0 | 0 | 0 | 114.7 | F11 L12 | F11-T15 WeakPolarHBondContact O-CG2 2.93Å; F11-T15 PolarHBondContact O-N 2.93Å; F11-T15 VanDerWaalsContact O-N 3.14Å; F11-T15 PolarHBondContact O-OG1 3.45Å; L12-T15 PolarHBondContact O-OG1 3.05Å |
| 16 | S | 56.5 | Low | 59.9 | Low | 83 Ų | 83 | 120.3 Ų | 120.3 | 58% | 0.58 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -5.3 | 178.9 | 60.1 | 0 | 0 | 0 | 0 | 114.3 | L13 L14 | L13-S16 PolarHBondContact O-OG 2.77Å; L14-S16 VanDerWaalsContact C-N 3.35Å; L14-S16 PolarHBondContact O-N 3.16Å |
| 17 | V | 57.3 | Low | 58.3 | Low | 127 Ų | 127 | 125.3 Ų | 125.3 | 77% | 0.77 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -103.8 | -7.9 | 179.3 | -177.5 | 0 | 0 | 0 | 0 | 112.8 | ||
| 18 | A | 57.3 | Low | 56.6 | Low | 82 Ų | 82 | 130.2 Ų | 130.2 | 68% | 0.678 | 69% | 0.693 | S | S | * | * | trans | -115.3 | 51.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 19 | T | 56.6 | Low | 54.6 | Low | 122 Ų | 122 | 132 Ų | 132 | 75% | 0.748 | 71% | 0.708 | S | S | * | * | trans | -132.4 | 70.6 | 161.5 | 51.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 20 | R | 48.7 | Very low | 52.7 | Low | 233 Ų | 233 | 138.1 Ų | 138.1 | 88% | 0.879 | 73% | 0.728 | S | S | * | * | trans | -118.3 | 116.7 | 147.2 | -71.9 | -170.4 | 177.2 | -171.6 | 0.1 | 107.3 | L22 | R20-L22 PolarHBondContact O-N 3.05Š| ||
| 21 | P | 46.1 | Very low | 50.8 | Low | 112 Ų | 112 | 145.8 Ų | 145.8 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | -65.8 | 122 | 173.4 | 27.7 | -30.1 | 0 | 0 | 0 | 107.6 | Y23 | P21-Y23 VanDerWaalsContact C-N 3.27Å; P21-Y23 PolarHBondContact O-N 2.9Å | ||
| 22 | L | 49.7 | Very low | 48.9 | Very low | 171 Ų | 171 | 145.1 Ų | 145.1 | 90% | 0.895 | 76% | 0.755 | S | S | * | * | trans | -65.6 | 97.2 | 158 | -74.7 | 174.7 | 0 | 0 | 0 | 106.4 | R20 Q24 | R20-L22 PolarHBondContact O-N 3.05Å; L22-Q24 VanDerWaalsContact C-N 3.25Å; L22-Q24 PolarHBondContact O-N 3.28Å | ||
| 23 | Y | 38.9 | Very low | 47.2 | Very low | 208 Ų | 208 | 149.8 Ų | 149.8 | 82% | 0.816 | 76% | 0.764 | S | S | * | * | trans | -74.9 | 87.5 | 169.2 | -135.3 | -90.8 | 0 | 0 | 0 | 107.6 | P21 | P21-Y23 VanDerWaalsContact C-N 3.27Å; P21-Y23 PolarHBondContact O-N 2.9Å | ||
| 24 | Q | 47.9 | Very low | 45.6 | Very low | 185 Ų | 185 | 153.2 Ų | 153.2 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | trans | -91.6 | 106.3 | 161.4 | -139.1 | 175 | 13.5 | 0 | 0 | 105.8 | L22 | L22-Q24 VanDerWaalsContact C-N 3.25Å; L22-Q24 PolarHBondContact O-N 3.28Å | ||
| 25 | N | 34.4 | Very low | 44.4 | Very low | 128 Ų | 128 | 153.3 Ų | 153.3 | 68% | 0.684 | 78% | 0.781 | S | S | * | * | trans | -143.4 | 108.1 | 155.3 | -139.7 | -8.8 | 0 | 0 | 0 | 111.5 | ||||
| 26 | T | 47 | Very low | 43.2 | Very low | 118 Ų | 118 | 154 Ų | 154 | 72% | 0.724 | 79% | 0.791 | S | S | * | * | trans | -34.6 | 127.2 | 152.1 | 37.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 27 | Q | 43.2 | Very low | 42 | Very low | 195 Ų | 195 | 154.5 Ų | 154.5 | 91% | 0.911 | 79% | 0.794 | S | S | * | * | trans | -131.5 | 128.7 | 136.7 | -77 | -147.7 | -2.3 | 0 | 0 | 110.6 | ||||
| 28 | Q | 40.7 | Very low | 40.8 | Very low | 181 Ų | 181 | 157.7 Ų | 157.7 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | -70.6 | 154 | 174.4 | -68.2 | 169.3 | -19.8 | 0 | 0 | 111 | ||||
| 29 | A | 37.2 | Very low | 39.5 | Very low | 90 Ų | 90 | 164 Ų | 164 | 74% | 0.744 | 80% | 0.799 | S | S | * | * | trans | 64.5 | 110.9 | 145.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 30 | K | 36.3 | Very low | 38.1 | Very low | 208 Ų | 208 | 165.9 Ų | 165.9 | 90% | 0.904 | 81% | 0.805 | S | S | * | * | -166.3 | 104.3 | 100.2 | -101.5 | 166.5 | -175 | 177.9 | 0 | 111 | T32 | K30-T32 PolarHBondContact O-N 3.38Š| |||
| 31 | R | 32.2 | Very low | 37.5 | Very low | 224 Ų | 224 | 160 Ų | 160 | 85% | 0.845 | 80% | 0.799 | S | S | * | * | trans | -57.3 | 126.5 | 158.3 | -151.8 | 174.6 | -169.2 | 172.5 | 1.9 | 107.2 | R33 | R31-R33 PolarHBondContact O-N 2.89Š| ||
| 32 | T | 35.5 | Very low | 36.8 | Very low | 123 Ų | 123 | 158.4 Ų | 158.4 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | trans | -53.9 | 108.5 | 168 | 23.2 | 0 | 0 | 0 | 0 | 109.8 | K30 | K30-T32 PolarHBondContact O-N 3.38Š| ||
| 33 | R | 35.3 | Very low | 35.9 | Very low | 221 Ų | 221 | 155.8 Ų | 155.8 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | trans | -127.9 | 106.2 | 151.2 | -81.6 | -171 | -165.5 | 159.4 | 3.2 | 106 | R31 | R31-R33 PolarHBondContact O-N 2.89Š| ||
| 34 | F | 32.8 | Very low | 35.6 | Very low | 196 Ų | 196 | 154 Ų | 154 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -80.4 | 127.5 | 160.4 | -83.8 | -83.3 | 0 | 0 | 0 | 108 | ||||
| 35 | P | 38.8 | Very low | 34.7 | Very low | 117 Ų | 117 | 150.4 Ų | 150.4 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | trans | -82.1 | 135.1 | 169.8 | 24.9 | -15.8 | 0 | 0 | 0 | 110.5 | ||||
| 36 | S | 34.5 | Very low | 34.6 | Very low | 111 Ų | 111 | 151 Ų | 151 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | trans | -39.9 | 134 | 152 | 155.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 37 | S | 32.4 | Very low | 34 | Very low | 93 Ų | 93 | 153.7 Ų | 153.7 | 65% | 0.65 | 81% | 0.811 | S | S | * | * | trans | 173.1 | 118.1 | 131.4 | 163 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 38 | Y | 31.3 | Very low | 33.3 | Very low | 193 Ų | 193 | 152 Ų | 152 | 76% | 0.757 | 80% | 0.803 | S | S | * | * | trans | 53.9 | 134.8 | 139.5 | -72.2 | -111.2 | 0 | 0 | 0 | 118.4 | ||||
| 39 | R | 30.2 | Very low | 33 | Very low | 214 Ų | 214 | 151.3 Ų | 151.3 | 81% | 0.808 | 80% | 0.8 | S | S | * | * | cis | -167.1 | 141.2 | 21.3 | -122.1 | 162.9 | -174.4 | -169.6 | 5.5 | 106.1 | ||||
| 40 | D | 27.7 | Very low | 33 | Very low | 163 Ų | 163 | 154.2 Ų | 154.2 | 87% | 0.872 | 80% | 0.798 | S | S | * | * | trans | -137.3 | 131.6 | 145.9 | -156.1 | 4.8 | 0 | 0 | 0 | 109.4 | ||||
| 41 | S | 36.6 | Very low | 32.8 | Very low | 108 Ų | 108 | 150.6 Ų | 150.6 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | trans | -100.2 | 108.5 | -177.6 | -65 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 42 | G | 31.6 | Very low | 32.6 | Very low | 79 Ų | 79 | 145.5 Ų | 145.5 | 81% | 0.814 | 79% | 0.785 | S | S | * | * | trans | -144.2 | 84.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 43 | S | 30.7 | Very low | 32.2 | Very low | 117 Ų | 117 | 147.7 Ų | 147.7 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -69.9 | 122.6 | 173.1 | 52 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 44 | L | 30.8 | Very low | 31.9 | Very low | 171 Ų | 171 | 145 Ų | 145 | 90% | 0.895 | 78% | 0.781 | S | S | * | * | trans | -149.1 | 113.3 | 147.7 | -124.2 | 127.6 | 0 | 0 | 0 | 109.2 | ||||
| 45 | S | 28.9 | Very low | 31.9 | Very low | 109 Ų | 109 | 146.1 Ų | 146.1 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | -75.6 | 129.9 | 178.7 | 45.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 46 | V | 33 | Very low | 31.4 | Very low | 140 Ų | 140 | 147.7 Ų | 147.7 | 85% | 0.848 | 78% | 0.777 | S | S | * | * | trans | -144.5 | 114.4 | 153.2 | 179.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 47 | E | 34.9 | Very low | 31.4 | Very low | 175 Ų | 175 | 149.8 Ų | 149.8 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -61.3 | 154.9 | 164.4 | -53.1 | 176.3 | 138.2 | 0 | 0 | 108.1 | ||||
| 48 | E | 29.1 | Very low | 31.5 | Very low | 159 Ų | 159 | 152.8 Ų | 152.8 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | cis | 180 | 138 | 32.6 | -148.8 | 173 | 167 | 0 | 0 | 102.2 | ||||
| 49 | E | 33.2 | Very low | 31.6 | Very low | 167 Ų | 167 | 153 Ų | 153 | 78% | 0.78 | 78% | 0.783 | S | S | * | * | 167.3 | 140.4 | 96.1 | -81 | -114.6 | 142.4 | 0 | 0 | 108.1 | |||||
| 50 | E | 37 | Very low | 31.8 | Very low | 150 Ų | 150 | 150.7 Ų | 150.7 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | -79.1 | 164.9 | 172.4 | -77 | -109.6 | 138.5 | 0 | 0 | 112 | ||||
| 51 | P | 32.3 | Very low | 32.3 | Very low | 133 Ų | 133 | 151.3 Ų | 151.3 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | -137.2 | 145.3 | 107.5 | 31.3 | -16.3 | 0 | 0 | 0 | 115.8 | |||||
| 52 | L | 29.3 | Very low | 32.3 | Very low | 117 Ų | 117 | 155 Ų | 155 | 61% | 0.613 | 79% | 0.788 | S | S | * | * | trans | -69.7 | 138.5 | 177.2 | -124.7 | 106.4 | 0 | 0 | 0 | 113.7 | ||||
| 53 | F | 26.7 | Very low | 32.5 | Very low | 169 Ų | 169 | 158.4 Ų | 158.4 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | trans | 75.1 | 141.5 | 142.3 | -73.9 | -135.6 | 0 | 0 | 0 | 117.2 | ||||
| 54 | Q | 29.3 | Very low | 33 | Very low | 165 Ų | 165 | 157.1 Ų | 157.1 | 77% | 0.771 | 78% | 0.777 | S | S | * | * | cis | -164.7 | 133.1 | 49 | -136.6 | 148.2 | -12.2 | 0 | 0 | 110 | ||||
| 55 | R | 30.9 | Very low | 33.6 | Very low | 219 Ų | 219 | 157.1 Ų | 157.1 | 83% | 0.826 | 78% | 0.775 | S | S | * | * | trans | -91.7 | 109.5 | 169.9 | 177.1 | 175.1 | 177.8 | 152 | -2.1 | 107.8 | ||||
| 56 | E | 29.8 | Very low | 34.2 | Very low | 150 Ų | 150 | 159.5 Ų | 159.5 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | trans | -99.7 | 116.2 | 170.2 | -82.7 | -168.3 | 157.6 | 0 | 0 | 110.3 | ||||
| 57 | E | 34 | Very low | 34.5 | Very low | 154 Ų | 154 | 159.1 Ų | 159.1 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | trans | -85.9 | 112.1 | 165.6 | -69.1 | -175.6 | 161.1 | 0 | 0 | 108.6 | ||||
| 58 | H | 34.1 | Very low | 34.7 | Very low | 157 Ų | 157 | 158.4 Ų | 158.4 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | -113.6 | 92.5 | 166.9 | -85.3 | -97.3 | 0 | 0 | 0 | 110.8 | ||||
| 59 | K | 33.5 | Very low | 35.3 | Very low | 198 Ų | 198 | 161 Ų | 161 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | trans | 20.4 | 121.4 | 137.1 | -149.2 | 172 | -175.7 | -177.6 | 0 | 118.1 | ||||
| 60 | L | 35.3 | Very low | 35.7 | Very low | 164 Ų | 164 | 159 Ų | 159 | 86% | 0.859 | 76% | 0.763 | S | S | * | * | trans | -46.4 | 134.5 | 166.6 | -77.3 | 104.6 | 0 | 0 | 0 | 113 | ||||
| 61 | Q | 38.1 | Very low | 36.5 | Very low | 177 Ų | 177 | 159.4 Ų | 159.4 | 83% | 0.827 | 77% | 0.768 | S | S | * | * | trans | -119.8 | 105.6 | 148.4 | -107.3 | 175.9 | -6.6 | 0 | 0 | 108.6 | I63 | Q61-I63 PolarHBondContact O-N 3.31Š| ||
| 62 | E | 36.1 | Very low | 37.3 | Very low | 184 Ų | 184 | 156.9 Ų | 156.9 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | trans | -64.1 | 116.6 | 162.4 | -176.4 | 173.5 | -163.3 | 0 | 0 | 107.7 | ||||
| 63 | I | 36.5 | Very low | 38.1 | Very low | 151 Ų | 151 | 155.8 Ų | 155.8 | 77% | 0.774 | 77% | 0.767 | S | S | * | * | trans | -110.5 | 117 | 172.3 | -64.2 | 174.1 | 0 | 0 | 0 | 107.2 | Q61 | Q61-I63 PolarHBondContact O-N 3.31Š| ||
| 64 | S | 40.7 | Very low | 39.3 | Very low | 90 Ų | 90 | 152.5 Ų | 152.5 | 63% | 0.629 | 76% | 0.762 | S | S | * | * | trans | -53.5 | 147.9 | -176.3 | -159.6 | 0 | 0 | 0 | 0 | 113.1 | E66 | S64-E66 PolarHBondContact OG-OE2 3.13Š| ||
| 65 | M | 43.5 | Very low | 40.5 | Very low | 172 Ų | 172 | 152.8 Ų | 152.8 | 85% | 0.847 | 76% | 0.757 | S | S | * | * | trans | -102 | 107.4 | 172.2 | 21.2 | -174.3 | 69.4 | 0 | 0 | 107.3 | ||||
| 66 | E | 41.8 | Very low | 41.7 | Very low | 158 Ų | 158 | 146.9 Ų | 146.9 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | trans | -151.1 | 118.4 | 161.3 | -95 | 114.5 | 177.9 | 0 | 0 | 110.8 | S64 | S64-E66 PolarHBondContact OG-OE2 3.13Š| ||
| 67 | D | 38.9 | Very low | 43.1 | Very low | 133 Ų | 133 | 145.1 Ų | 145.1 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | trans | 48.4 | 107 | 139.6 | -63.8 | -21.5 | 0 | 0 | 0 | 121.3 | ||||
| 68 | Q | 37.9 | Very low | 44.2 | Very low | 159 Ų | 159 | 144.3 Ų | 144.3 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | trans | -152.5 | 87.8 | 136.4 | -166.6 | 69.8 | 27.3 | 0 | 0 | 109.5 | D70 | Q68-D70 PolarHBondContact NE2-OD2 2.99Å; Q68-D70 PolarHBondContact O-N 3.38Å | ||
| 69 | Y | 42.3 | Very low | 45.4 | Very low | 215 Ų | 215 | 144.1 Ų | 144.1 | 84% | 0.843 | 74% | 0.736 | S | S | * | * | trans | -82.4 | 89.6 | 163.7 | -80.5 | -85 | 0 | 0 | 0 | 109 | ||||
| 70 | D | 42.4 | Very low | 47 | Very low | 125 Ų | 125 | 140.9 Ų | 140.9 | 67% | 0.668 | 72% | 0.724 | S | S | * | * | trans | -93.7 | 98.9 | 166.2 | -114.1 | -49.5 | 0 | 0 | 0 | 109.4 | Q68 A72 | Q68-D70 PolarHBondContact NE2-OD2 2.99Å; Q68-D70 PolarHBondContact O-N 3.38Å; D70-A72 PolarHBondContact O-N 3.21Å | ||
| 71 | I | 52.4 | Low | 48.9 | Very low | 157 Ų | 157 | 138.8 Ų | 138.8 | 81% | 0.805 | 71% | 0.714 | S | S | * | * | trans | -77.3 | 93.6 | 166.6 | -71.4 | 172.1 | 0 | 0 | 0 | 107.2 | ||||
| 72 | A | 49.6 | Very low | 51 | Low | 80 Ų | 80 | 134 Ų | 134 | 66% | 0.661 | 70% | 0.696 | S | S | * | * | trans | -121 | 90.7 | 158.2 | 0 | 0 | 0 | 0 | 0 | 106.8 | D70 P74 | D70-A72 PolarHBondContact O-N 3.21Å; A72-P74 WeakPolarHBondContact O-CD 3.32Å | ||
| 73 | A | 46.5 | Very low | 53.1 | Low | 95 Ų | 95 | 130.3 Ų | 130.3 | 79% | 0.785 | 68% | 0.681 | S | S | * | * | trans | -66.3 | 119.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 74 | P | 52 | Low | 55.3 | Low | 100 Ų | 100 | 127.8 Ų | 127.8 | 65% | 0.649 | 67% | 0.669 | S | S | * | * | trans | -103.2 | 137 | 164 | 21.7 | -1.1 | 0 | 0 | 0 | 109.2 | A72 | A72-P74 WeakPolarHBondContact O-CD 3.32Š| ||
| 75 | Y | 53.8 | Low | 57.5 | Low | 171 Ų | 171 | 130.4 Ų | 130.4 | 67% | 0.671 | 67% | 0.669 | S | S | * | * | trans | 96.7 | 92.2 | 170.4 | -61.8 | -80 | 0 | 0 | 0 | 118 | D77 | Y75-D77 VanDerWaalsContact C-N 3.33Š| ||
| 76 | P | 57.2 | Low | 59.5 | Low | 94 Ų | 94 | 125.8 Ų | 125.8 | 61% | 0.61 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -79 | -13.7 | 166.3 | 26.9 | -20.9 | 0 | 0 | 0 | 113.5 | Q78 F79 | P76-Q78 VanDerWaalsContact C-N 3.34Å; P76-Q78 PolarHBondContact O-N 2.98Å; P76-F79 PolarHBondContact O-N 2.85Å |
| 77 | D | 59.1 | Low | 61.6 | Low | 113 Ų | 113 | 125 Ų | 125 | 60% | 0.604 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -8 | -163.6 | -49.5 | -34.7 | 0 | 0 | 0 | 115 | Y75 | Y75-D77 VanDerWaalsContact C-N 3.33Š|
| 78 | Q | 57.3 | Low | 63.8 | Low | 138 Ų | 138 | 120.8 Ų | 120.8 | 65% | 0.645 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -14.3 | 177.3 | -71 | -179.2 | 51.8 | 0 | 0 | 113.4 | P76 V82 | P76-Q78 VanDerWaalsContact C-N 3.34Å; P76-Q78 PolarHBondContact O-N 2.98Å; Q78-V82 WeakPolarHBondContact O-CG2 3.29Å |
| 79 | F | 58.5 | Low | 66.1 | Low | 153 Ų | 153 | 115.8 Ų | 115.8 | 67% | 0.671 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -81.5 | -28.5 | -179.3 | -90.2 | -89.2 | 0 | 0 | 0 | 112.7 | P76 V82 M83 | P76-F79 PolarHBondContact O-N 2.85Å; F79-V82 PolarHBondContact O-N 3.2Å; F79-M83 WeakPolarHBondContact O-CB 3.45Å; F79-M83 VanDerWaalsContact O-CG 3.27Å; F79-M83 WeakPolarHBondContact O-CG 3.42Å; F79-M83 PolarHBondContact O-N 3.22Å |
| 80 | E | 67.9 | Low | 68.1 | Low | 130 Ų | 130 | 109.5 Ų | 109.5 | 61% | 0.607 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.3 | -45.2 | 177.6 | -66.7 | -62.3 | 162.9 | 0 | 0 | 111.4 | V82 M83 D84 | E80-V82 VanDerWaalsContact C-N 3.28Å; E80-V82 PolarHBondContact O-N 3.27Å; E80-M83 PolarHBondContact O-N 3.26Å; E80-M83 VanDerWaalsContact O-N 3.13Å; E80-D84 WeakPolarHBondContact O-CB 3.16Å; E80-D84 PolarHBondContact O-N 2.83Å |
| 81 | D | 74.3 | Confident | 69.8 | Low | 119 Ų | 119 | 105.1 Ų | 105.1 | 64% | 0.636 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -61.6 | -36.3 | 177.7 | -72.9 | -23.1 | 0 | 0 | 0 | 112.6 | F85 | D81-F85 WeakPolarHBondContact O-CB 3.42Å; D81-F85 PolarHBondContact O-N 3.06Å |
| 82 | V | 82.1 | Confident | 70.8 | Confident | 76 Ų | 76 | 106 Ų | 106 | 46% | 0.461 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -71.5 | -41 | 177.1 | 177.1 | 0 | 0 | 0 | 0 | 110.4 | Q78 F79 E80 F85 I86 | Q78-V82 WeakPolarHBondContact O-CG2 3.29Å; F79-V82 PolarHBondContact O-N 3.2Å; E80-V82 VanDerWaalsContact C-N 3.28Å; E80-V82 PolarHBondContact O-N 3.27Å; V82-F85 PolarHBondContact O-N 2.91Å; V82-I86 HydrophobicContact CG1-CD1 3.84Å; V82-I86 HydrophobicContact CG1-CG1 4.49Å; V82-I86 WeakPolarHBondContact O-CB 3.36Å; V82-I86 WeakPolarHBondContact O-CD1 3.35Å; V82-I86 WeakPolarHBondContact O-CG1 3.49Å; V82-I86 PolarHBondContact O-N 2.99Å |
| 83 | M | 81.2 | Confident | 71.9 | Confident | 108 Ų | 108 | 107.6 Ų | 107.6 | 53% | 0.532 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.7 | -40.4 | 177.2 | -71.8 | -59.3 | -68.3 | 0 | 0 | 111.7 | F79 E80 F85 I86 E87 | F79-M83 WeakPolarHBondContact O-CB 3.45Å; F79-M83 VanDerWaalsContact O-CG 3.27Å; F79-M83 WeakPolarHBondContact O-CG 3.42Å; F79-M83 PolarHBondContact O-N 3.22Å; E80-M83 PolarHBondContact O-N 3.26Å; E80-M83 VanDerWaalsContact O-N 3.13Å; M83-F85 VanDerWaalsContact C-N 3.35Å; M83-F85 PolarHBondContact O-N 3.42Å; M83-I86 PolarHBondContact O-N 3.37Å; M83-I86 HydrophobicContact SD-CD1 4.32Å; M83-E87 WeakPolarHBondContact O-CB 3.39Å; M83-E87 PolarHBondContact O-N 3.45Å |
| 84 | D | 82.6 | Confident | 72.9 | Confident | 98 Ų | 98 | 111.6 Ų | 111.6 | 52% | 0.524 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.6 | -41.7 | 173.4 | -89.7 | -3 | 0 | 0 | 0 | 111.9 | E80 E87 A88 | E80-D84 WeakPolarHBondContact O-CB 3.16Å; E80-D84 PolarHBondContact O-N 2.83Å; D84-E87 PolarHBondContact O-N 2.8Å; D84-A88 VanDerWaalsContact O-CB 3.26Å; D84-A88 WeakPolarHBondContact O-CB 3.27Å; D84-A88 PolarHBondContact O-N 2.9Å |
| 85 | F | 85.3 | Confident | 73.2 | Confident | 144 Ų | 144 | 116.2 Ų | 116.2 | 63% | 0.632 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.8 | -42.2 | 175.6 | 179.5 | -99.5 | 0 | 0 | 0 | 112.3 | D81 V82 M83 T89 | D81-F85 WeakPolarHBondContact O-CB 3.42Å; D81-F85 PolarHBondContact O-N 3.06Å; V82-F85 PolarHBondContact O-N 2.91Å; M83-F85 VanDerWaalsContact C-N 3.35Å; M83-F85 PolarHBondContact O-N 3.42Å; F85-T89 WeakPolarHBondContact O-CB 3.39Å; F85-T89 PolarHBondContact O-N 3.46Å; F85-T89 VanDerWaalsContact O-N 3.08Å; F85-T89 PolarHBondContact O-OG1 3.3Å |
| 86 | I | 86.5 | Confident | 73 | Confident | 75 Ų | 75 | 112 Ų | 112 | 39% | 0.385 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.5 | -45.6 | 176.6 | -69.3 | 166.2 | 0 | 0 | 0 | 110.1 | V82 M83 T89 I90 | V82-I86 HydrophobicContact CG1-CD1 3.84Å; V82-I86 HydrophobicContact CG1-CG1 4.49Å; V82-I86 WeakPolarHBondContact O-CB 3.36Å; V82-I86 WeakPolarHBondContact O-CD1 3.35Å; V82-I86 WeakPolarHBondContact O-CG1 3.49Å; V82-I86 PolarHBondContact O-N 2.99Å; M83-I86 PolarHBondContact O-N 3.37Å; M83-I86 HydrophobicContact SD-CD1 4.32Å; I86-T89 PolarHBondContact O-N 2.81Å; I86-I90 HydrophobicContact CG2-CD1 3.82Å; I86-I90 WeakPolarHBondContact O-CG1 3.39Å; I86-I90 PolarHBondContact O-N 2.93Å |
| 87 | E | 84.9 | Confident | 72.8 | Confident | 143 Ų | 143 | 111.2 Ų | 111.2 | 67% | 0.668 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.5 | -45.5 | 179.1 | -174.9 | 168.1 | -179.2 | 0 | 0 | 111.9 | M83 D84 T89 I90 G91 | M83-E87 WeakPolarHBondContact O-CB 3.39Å; M83-E87 PolarHBondContact O-N 3.45Å; D84-E87 PolarHBondContact O-N 2.8Å; E87-T89 PolarHBondContact O-N 3.2Å; E87-I90 PolarHBondContact O-N 2.88Å; E87-G91 PolarHBondContact O-N 2.76Å |
| 88 | A | 85.2 | Confident | 72.5 | Confident | 44 Ų | 44 | 113.7 Ų | 113.7 | 36% | 0.364 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.7 | -35 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D84 R92 | D84-A88 VanDerWaalsContact O-CB 3.26Å; D84-A88 WeakPolarHBondContact O-CB 3.27Å; D84-A88 PolarHBondContact O-N 2.9Å; A88-R92 WeakPolarHBondContact O-CG 3.3Å; A88-R92 PolarHBondContact O-N 2.83Å |
| 89 | T | 88.1 | Confident | 72 | Confident | 53 Ų | 53 | 113.3 Ų | 113.3 | 33% | 0.325 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -71.1 | -44.4 | 178 | -59.1 | 0 | 0 | 0 | 0 | 111.4 | F85 I86 E87 G91 R92 L93 | F85-T89 WeakPolarHBondContact O-CB 3.39Å; F85-T89 PolarHBondContact O-N 3.46Å; F85-T89 VanDerWaalsContact O-N 3.08Å; F85-T89 PolarHBondContact O-OG1 3.3Å; I86-T89 PolarHBondContact O-N 2.81Å; E87-T89 PolarHBondContact O-N 3.2Å; T89-G91 PolarHBondContact O-N 2.93Å; T89-R92 PolarHBondContact O-N 3.03Å; T89-L93 HydrophobicContact CG2-CD1 4.45Å; T89-L93 PolarHBondContact O-N 2.88Å |
| 90 | I | 82.6 | Confident | 71.6 | Confident | 84 Ų | 84 | 111.1 Ų | 111.1 | 43% | 0.431 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -65.5 | -39.3 | 177.2 | -66.6 | 169.9 | 0 | 0 | 0 | 111.1 | I86 E87 R92 L93 R94 | I86-I90 HydrophobicContact CG2-CD1 3.82Å; I86-I90 WeakPolarHBondContact O-CG1 3.39Å; I86-I90 PolarHBondContact O-N 2.93Å; E87-I90 PolarHBondContact O-N 2.88Å; I90-R92 VanDerWaalsContact C-N 3.33Å; I90-R92 PolarHBondContact O-N 2.92Å; I90-L93 PolarHBondContact O-N 2.83Å; I90-R94 PolarHBondContact O-N 2.93Å |
| 91 | G | 78.8 | Confident | 70.5 | Confident | 33 Ų | 33 | 107.4 Ų | 107.4 | 34% | 0.34 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.6 | -37.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | E87 T89 R95 | E87-G91 PolarHBondContact O-N 2.76Å; T89-G91 PolarHBondContact O-N 2.93Å; G91-R95 PolarHBondContact O-N 3.13Å |
| 92 | R | 73.4 | Confident | 68.9 | Low | 176 Ų | 176 | 109.9 Ų | 109.9 | 66% | 0.664 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -68.9 | -40.4 | 176.1 | -74.1 | 177.7 | -175.2 | 124.4 | -0.2 | 112.6 | A88 T89 I90 R95 | A88-R92 WeakPolarHBondContact O-CG 3.3Å; A88-R92 PolarHBondContact O-N 2.83Å; T89-R92 PolarHBondContact O-N 3.03Å; I90-R92 VanDerWaalsContact C-N 3.33Å; I90-R92 PolarHBondContact O-N 2.92Å; R92-R95 PolarHBondContact O-N 3.33Å |
| 93 | L | 71.9 | Confident | 66.8 | Low | 113 Ų | 113 | 111.3 Ų | 111.3 | 59% | 0.592 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -61.6 | -44.7 | 177.2 | -83.5 | 152.6 | 0 | 0 | 0 | 111.8 | T89 I90 R95 S96 | T89-L93 HydrophobicContact CG2-CD1 4.45Å; T89-L93 PolarHBondContact O-N 2.88Å; I90-L93 PolarHBondContact O-N 2.83Å; L93-R95 PolarHBondContact O-N 3.29Å; L93-S96 PolarHBondContact O-N 2.82Å; L93-S96 PolarHBondContact O-OG 3.06Å |
| 94 | R | 69.2 | Low | 64.8 | Low | 178 Ų | 178 | 111.6 Ų | 111.6 | 67% | 0.672 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -63.1 | -36.9 | 179.7 | -88.2 | -175.3 | 157.9 | 126.4 | -3.6 | 114.3 | I90 S96 S97 | I90-R94 PolarHBondContact O-N 2.93Å; R94-S96 PolarHBondContact O-N 3.09Å; R94-S97 PolarHBondContact O-N 2.94Å; R94-S97 PolarHBondContact O-OG 3.24Å |
| 95 | R | 57.5 | Low | 62.6 | Low | 198 Ų | 198 | 110.5 Ų | 110.5 | 75% | 0.747 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -68.6 | -24 | 177.9 | -68.1 | -177 | -166.8 | -169.2 | 4.2 | 113.2 | G91 R92 L93 | G91-R95 PolarHBondContact O-N 3.13Å; R92-R95 PolarHBondContact O-N 3.33Å; L93-R95 PolarHBondContact O-N 3.29Å |
| 96 | S | 49 | Very low | 60.6 | Low | 83 Ų | 83 | 115.1 Ų | 115.1 | 58% | 0.58 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -78.6 | -19.9 | 179.2 | 73 | 0 | 0 | 0 | 0 | 113.9 | L93 R94 | L93-S96 PolarHBondContact O-N 2.82Å; L93-S96 PolarHBondContact O-OG 3.06Å; R94-S96 PolarHBondContact O-N 3.09Å |
| 97 | S | 54.3 | Low | 58.4 | Low | 77 Ų | 77 | 123.4 Ų | 123.4 | 54% | 0.538 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -83 | -20.2 | 177.2 | 48.2 | 0 | 0 | 0 | 0 | 114.1 | R94 S100 | R94-S97 PolarHBondContact O-N 2.94Å; R94-S97 PolarHBondContact O-OG 3.24Å; S97-S100 PolarHBondContact O-OG 3.45Å |
| 98 | E | 51.1 | Low | 56.5 | Low | 165 Ų | 165 | 124.8 Ų | 124.8 | 77% | 0.771 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | -11.5 | -172.7 | -67.5 | -177.9 | 164.3 | 0 | 0 | 114.4 | ||
| 99 | T | 48.5 | Very low | 54.5 | Low | 129 Ų | 129 | 131.8 Ų | 131.8 | 79% | 0.791 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | 9.7 | -179 | 2.7 | 0 | 0 | 0 | 0 | 114.8 | ||
| 100 | S | 48.6 | Very low | 52.5 | Low | 108 Ų | 108 | 139.7 Ų | 139.7 | 76% | 0.755 | 73% | 0.728 | S | S | * | * | trans | -104.8 | 23.4 | -177.1 | 63.8 | 0 | 0 | 0 | 0 | 115 | S97 | S97-S100 PolarHBondContact O-OG 3.45Š| ||
| 101 | G | 45.2 | Very low | 50.9 | Low | 52 Ų | 52 | 144 Ų | 144 | 54% | 0.536 | 75% | 0.746 | S | S | . | * | S | Bend | trans | -127.6 | 104.5 | 172 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 102 | N | 41.9 | Very low | 49.2 | Very low | 171 Ų | 171 | 154.4 Ų | 154.4 | 91% | 0.914 | 78% | 0.776 | S | S | * | * | trans | 132.3 | 90.7 | 154.5 | -66.3 | -27.8 | 0 | 0 | 0 | 114.2 | ||||
| 103 | A | 37.1 | Very low | 47.4 | Very low | 105 Ų | 105 | 149.5 Ų | 149.5 | 87% | 0.868 | 78% | 0.78 | S | S | * | * | trans | -165.6 | 67.5 | 144.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 104 | A | 39.7 | Very low | 45.8 | Very low | 114 Ų | 114 | 149.2 Ų | 149.2 | 94% | 0.942 | 79% | 0.794 | S | S | * | * | trans | -83.8 | 113.8 | 158.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 105 | G | 36.1 | Very low | 44.5 | Very low | 76 Ų | 76 | 145.5 Ų | 145.5 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | trans | -147 | 69.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 106 | R | 43.7 | Very low | 43.6 | Very low | 240 Ų | 240 | 144 Ų | 144 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | trans | -32.2 | 126.3 | 162.5 | -173.1 | -179.8 | -170.8 | 172.2 | 2.6 | 114.2 | ||||
| 107 | R | 40.8 | Very low | 43.2 | Very low | 250 Ų | 250 | 146.3 Ų | 146.3 | 94% | 0.943 | 82% | 0.819 | S | S | * | * | trans | -154.3 | 99.7 | 150.9 | -113.4 | 176.1 | -173 | -179.5 | 2.5 | 111.9 | ||||
| 108 | E | 44 | Very low | 42.6 | Very low | 172 Ų | 172 | 152.2 Ų | 152.2 | 80% | 0.804 | 84% | 0.835 | S | S | * | * | trans | -103.5 | 116.6 | 164.9 | -175.6 | -174.6 | -163.8 | 0 | 0 | 106.3 | ||||
| 109 | Q | 43.3 | Very low | 42.1 | Very low | 190 Ų | 190 | 150.7 Ų | 150.7 | 89% | 0.888 | 84% | 0.837 | S | S | * | * | trans | -157.8 | 131.1 | 154.4 | -152.5 | 158.1 | -1.9 | 0 | 0 | 113.2 | ||||
| 110 | R | 45.5 | Very low | 41.6 | Very low | 219 Ų | 219 | 150.5 Ų | 150.5 | 83% | 0.826 | 84% | 0.836 | S | S | * | * | trans | -69.7 | 155.2 | -177.6 | -62.2 | 163.4 | 166.7 | 178 | -5.3 | 113.7 | ||||
| 111 | Q | 49.4 | Very low | 41.4 | Very low | 174 Ų | 174 | 157.4 Ų | 157.4 | 81% | 0.813 | 85% | 0.845 | S | S | * | * | 167.3 | 114 | 123.9 | -89.9 | 170.9 | 24.8 | 0 | 0 | 109.5 | |||||
| 112 | R | 42.8 | Very low | 41.1 | Very low | 252 Ų | 252 | 162.3 Ų | 162.3 | 95% | 0.951 | 85% | 0.854 | S | S | * | * | 79.9 | 120.4 | 85.9 | -81.3 | -170.3 | 177.2 | -176.6 | -0.4 | 115.2 | |||||
| 113 | G | 36.6 | Very low | 41.3 | Very low | 74 Ų | 74 | 163.3 Ų | 163.3 | 76% | 0.763 | 85% | 0.853 | S | S | * | * | trans | 161.2 | 82.3 | 165 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 114 | A | 38.4 | Very low | 41.6 | Very low | 106 Ų | 106 | 168.4 Ų | 168.4 | 88% | 0.876 | 85% | 0.85 | S | S | * | * | 65.9 | 102 | 89.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 115 | A | 40.7 | Very low | 42.1 | Very low | 101 Ų | 101 | 175.4 Ų | 175.4 | 84% | 0.835 | 85% | 0.852 | S | S | * | * | trans | -178.1 | 128.9 | 130 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 116 | N | 39.9 | Very low | 42.1 | Very low | 166 Ų | 166 | 175 Ų | 175 | 89% | 0.888 | 85% | 0.847 | S | S | * | * | trans | -60.6 | 137.4 | 174.1 | -77.2 | -48.4 | 0 | 0 | 0 | 112.2 | ||||
| 117 | T | 40.6 | Very low | 42.3 | Very low | 131 Ų | 131 | 174.7 Ų | 174.7 | 80% | 0.804 | 85% | 0.846 | S | S | * | * | trans | -140.3 | 116.2 | 146.7 | -40 | 0 | 0 | 0 | 0 | 109.5 | V119 | T117-V119 PolarHBondContact O-N 2.03Š| ||
| 118 | K | 41.7 | Very low | 42.5 | Very low | 202 Ų | 202 | 171.6 Ų | 171.6 | 88% | 0.878 | 84% | 0.843 | S | S | * | * | trans | -67.1 | 108.2 | -178.8 | -162.5 | -178.4 | -171.2 | -175.1 | 0 | 108.2 | ||||
| 119 | V | 39.1 | Very low | 42.8 | Very low | 133 Ų | 133 | 172 Ų | 172 | 81% | 0.806 | 84% | 0.841 | S | S | * | * | trans | -108.6 | 104.5 | 170.3 | -175.9 | 0 | 0 | 0 | 0 | 108.4 | T117 R121 | T117-V119 PolarHBondContact O-N 2.03Å; V119-R121 PolarHBondContact O-N 2.03Å | ||
| 120 | T | 38.1 | Very low | 43.1 | Very low | 125 Ų | 125 | 168.9 Ų | 168.9 | 77% | 0.767 | 83% | 0.831 | S | S | * | * | trans | -55.7 | 125.7 | 168.3 | -8.2 | 0 | 0 | 0 | 0 | 109.3 | E122 | T120-E122 PolarHBondContact O-N 3.48Š| ||
| 121 | R | 44.3 | Very low | 43.1 | Very low | 252 Ų | 252 | 169.1 Ų | 169.1 | 95% | 0.951 | 83% | 0.832 | S | S | * | * | trans | -61.6 | 114.1 | 163.3 | -106.2 | 176 | 161 | 167.5 | -6.2 | 108 | V119 | V119-R121 PolarHBondContact O-N 2.03Š| ||
| 122 | E | 38.3 | Very low | 43.1 | Very low | 155 Ų | 155 | 166.9 Ų | 166.9 | 72% | 0.724 | 82% | 0.824 | S | S | * | * | trans | -131.2 | 117.1 | 157.7 | -129.8 | -175.8 | -166.1 | 0 | 0 | 108.2 | T120 R124 | T120-E122 PolarHBondContact O-N 3.48Å; E122-R124 PolarHBondContact O-N 2.88Å; E122-R124 IonicContact OE2-NH2 3.84Å | ||
| 123 | E | 46.3 | Very low | 43.1 | Very low | 193 Ų | 193 | 158.4 Ų | 158.4 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | trans | -55.5 | 117 | 167.7 | -77.7 | 173.7 | 116 | 0 | 0 | 109.7 | ||||
| 124 | R | 44.1 | Very low | 43.6 | Very low | 212 Ų | 212 | 161.4 Ų | 161.4 | 80% | 0.8 | 81% | 0.807 | S | S | * | * | trans | -130.9 | 103.2 | 151.6 | -71 | -169.2 | -176.5 | 163.5 | 6.1 | 109.1 | E122 G126 | E122-R124 PolarHBondContact O-N 2.88Å; E122-R124 IonicContact OE2-NH2 3.84Å; R124-G126 PolarHBondContact O-N 2.94Å; R124-G126 VanDerWaalsContact O-N 3.1Å | ||
| 125 | R | 50.4 | Low | 44 | Very low | 261 Ų | 261 | 162.7 Ų | 162.7 | 99% | 0.985 | 80% | 0.795 | S | S | * | * | trans | -40.4 | 113.6 | 153.5 | -74.8 | 177.3 | 172.7 | -173.6 | -3 | 108.1 | ||||
| 126 | G | 36.1 | Very low | 44.7 | Very low | 66 Ų | 66 | 161.6 Ų | 161.6 | 68% | 0.68 | 78% | 0.781 | S | S | * | * | trans | -156 | 75.1 | -172 | 0 | 0 | 0 | 0 | 0 | 110 | R124 | R124-G126 PolarHBondContact O-N 2.94Å; R124-G126 VanDerWaalsContact O-N 3.1Å | ||
| 127 | R | 47.2 | Very low | 46.3 | Very low | 234 Ų | 234 | 162 Ų | 162 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | trans | 46.5 | 94.8 | 149.3 | -153.2 | 163.4 | -173.7 | 136.6 | -2.7 | 113.4 | K129 | R127-K129 PolarHBondContact O-N 3.24Š| ||
| 128 | E | 46.5 | Very low | 48.6 | Very low | 186 Ų | 186 | 157.1 Ų | 157.1 | 87% | 0.869 | 75% | 0.746 | S | S | * | * | trans | -36.9 | 95.2 | 149 | -176.4 | 171.7 | -172.5 | 0 | 0 | 107.5 | D130 | E128-D130 PolarHBondContact O-N 3.34Š| ||
| 129 | K | 50.1 | Low | 51.1 | Low | 179 Ų | 179 | 148.7 Ų | 148.7 | 78% | 0.778 | 71% | 0.712 | S | S | * | * | trans | -65.2 | 97.7 | 160.4 | -84.2 | -176.3 | 175.6 | -178.7 | 0 | 101.2 | R127 R131 | R127-K129 PolarHBondContact O-N 3.24Å; K129-R131 PolarHBondContact O-N 2.88Å | ||
| 130 | D | 48.4 | Very low | 53.8 | Low | 126 Ų | 126 | 145.8 Ų | 145.8 | 67% | 0.674 | 69% | 0.692 | S | S | * | * | trans | -45.8 | 79.3 | 152.2 | -161.3 | 7 | 0 | 0 | 0 | 105.9 | E128 I132 | E128-D130 PolarHBondContact O-N 3.34Å; D130-I132 PolarHBondContact O-N 3.1Å | ||
| 131 | R | 46.6 | Very low | 56.7 | Low | 223 Ų | 223 | 143.2 Ų | 143.2 | 84% | 0.842 | 67% | 0.672 | S | S | * | * | trans | -67 | 87.6 | 157.8 | -69.8 | -177.1 | -178.8 | -174.6 | 0.4 | 99.6 | K129 S133 | K129-R131 PolarHBondContact O-N 2.88Å; R131-S133 PolarHBondContact O-N 2.67Å | ||
| 132 | I | 49.4 | Very low | 59.2 | Low | 127 Ų | 127 | 135.5 Ų | 135.5 | 65% | 0.651 | 65% | 0.646 | S | S | * | * | trans | -52.2 | 87.4 | 151.9 | -61.2 | 169.5 | 0 | 0 | 0 | 102.2 | D130 V134 | D130-I132 PolarHBondContact O-N 3.1Å; I132-V134 VanDerWaalsContact C-N 3.27Å; I132-V134 PolarHBondContact O-N 3.16Å | ||
| 133 | S | 42.5 | Very low | 62.1 | Low | 75 Ų | 75 | 134 Ų | 134 | 52% | 0.524 | 64% | 0.639 | S | S | . | * | trans | -53.4 | 111.8 | 164.3 | 176 | 0 | 0 | 0 | 0 | 100.8 | R131 Q135 | R131-S133 PolarHBondContact O-N 2.67Å; S133-Q135 PolarHBondContact O-N 3.14Å; S133-Q135 WeakPolarHBondContact OG-CG 3.46Å; S133-Q135 PolarHBondContact OG-N 2.83Å | ||
| 134 | V | 46.2 | Very low | 64.5 | Low | 136 Ų | 136 | 127.4 Ų | 127.4 | 82% | 0.824 | 61% | 0.612 | S | S | * | * | trans | -65.5 | 65.4 | 160.2 | -174.8 | 0 | 0 | 0 | 0 | 104.4 | I132 S136 | I132-V134 VanDerWaalsContact C-N 3.27Å; I132-V134 PolarHBondContact O-N 3.16Å; V134-S136 PolarHBondContact O-N 3.24Å; V134-S136 VanDerWaalsContact O-N 3.1Å | ||
| 135 | Q | 47.9 | Very low | 67.1 | Low | 133 Ų | 133 | 123.5 Ų | 123.5 | 62% | 0.621 | 60% | 0.602 | S | S | * | * | trans | -54.1 | 117.1 | 158.2 | -91.5 | 171 | 3.5 | 0 | 0 | 101.9 | S133 R137 | S133-Q135 PolarHBondContact O-N 3.14Å; S133-Q135 WeakPolarHBondContact OG-CG 3.46Å; S133-Q135 PolarHBondContact OG-N 2.83Å; Q135-R137 HydrophobicContact CB-CG 4.49Å; Q135-R137 PolarHBondContact O-N 3.36Å | ||
| 136 | S | 55.1 | Low | 69.4 | Low | 79 Ų | 79 | 113.3 Ų | 113.3 | 55% | 0.552 | 57% | 0.567 | S | S | * | * | trans | -50 | 81.4 | 160.9 | 159.9 | 0 | 0 | 0 | 0 | 107.4 | V134 G138 | V134-S136 PolarHBondContact O-N 3.24Å; V134-S136 VanDerWaalsContact O-N 3.1Å; S136-G138 PolarHBondContact O-N 3.24Å; S136-G138 VanDerWaalsContact O-N 3.12Å | ||
| 137 | R | 72.8 | Confident | 72.4 | Confident | 175 Ų | 175 | 112.8 Ų | 112.8 | 66% | 0.66 | 55% | 0.549 | S | S | * | . | trans | -68.8 | 111 | 174.7 | -79.8 | -176.4 | -176 | -178.5 | 2.8 | 103.6 | Q135 L140 P169 | Q135-R137 HydrophobicContact CB-CG 4.49Å; Q135-R137 PolarHBondContact O-N 3.36Å; R137-L140 HydrophobicContact CB-CD1 3.55Å; R137-L140 HydrophobicContact CB-CG 4.22Å; R137-L140 HydrophobicContact CG-CD1 4.06Å; R137-P169 WeakPolarHBondContact O-CD 3.15Å | ||
| 138 | G | 88.9 | Confident | 74.8 | Confident | 28 Ų | 28 | 101.7 Ų | 101.7 | 29% | 0.289 | 51% | 0.507 | S | S | . | . | trans | -62.8 | -146.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S136 L140 G168 P169 | S136-G138 PolarHBondContact O-N 3.24Å; S136-G138 VanDerWaalsContact O-N 3.12Å; G138-L140 PolarHBondContact O-N 2.95Å; G138-G168 WeakPolarHBondContact O-CA 3.37Å; G138-P169 CarbonylContact C-O 3.43Å; G138-P169 WeakPolarHBondContact CA-O 3.25Å | ||
| 139 | C | 95.7 | Very high | 77.3 | Confident | 24 Ų | 24 | 96 Ų | 96 | 16% | 0.162 | 49% | 0.485 | C | S | . | . | S | Bend | trans | -64.5 | 109.3 | 177.5 | -179.9 | 0 | 0 | 0 | 0 | 111.5 | P169 C200 A230 C231 | C139-P169 PolarHBondContact N-O 2.93Å; C139-C200 WeakPolarHBondContact CA-SG 3.45Å; C139-C200 HydrophobicContact CB-CB 3.68Å; C139-C200 WeakPolarHBondContact CB-SG 3.46Å; C139-C200 WeakPolarHBondContact SG-CA 3.09Å; C139-C200 WeakPolarHBondContact SG-CB 3.39Å; C139-C200 CovalentContact SG-SG 2.03Å; C139-C200 PolarHBondContact SG-SG 3.42Å; C139-A230 VanDerWaalsContact SG-C 3.54Å; C139-A230 PolarHBondContact SG-O 3.1Å; C139-C231 VanDerWaalsContact CB-SG 3.57Å |
| 140 | L | 95.6 | Very high | 79.6 | Confident | 73 Ų | 73 | 91.8 Ų | 91.8 | 38% | 0.382 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 157.6 | -175.9 | -69.4 | -167.5 | 0 | 0 | 0 | 112.8 | R137 G138 C166 S167 | R137-L140 HydrophobicContact CB-CD1 3.55Å; R137-L140 HydrophobicContact CB-CG 4.22Å; R137-L140 HydrophobicContact CG-CD1 4.06Å; G138-L140 PolarHBondContact O-N 2.95Å; L140-C166 WeakPolarHBondContact O-CA 3.33Å; L140-S167 PolarHBondContact N-O 3.12Å; L140-S167 PolarHBondContact O-N 3.37Å |
| 141 | L | 97.8 | Very high | 81.9 | Confident | 70 Ų | 70 | 87.8 Ų | 87.8 | 37% | 0.366 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 129.5 | 168.2 | -169.1 | 67.2 | 0 | 0 | 0 | 109.8 | R164 A226 C229 | L141-R164 HydrophobicContact CD1-CB 3.94Å; L141-R164 HydrophobicContact CG-CB 4.35Å; L141-A226 HydrophobicContact CD1-CB 3.72Å; L141-A226 WeakPolarHBondContact CD1-O 3.49Å; L141-C229 WeakPolarHBondContact CD1-SG 3.49Å |
| 142 | K | 97.7 | Very high | 84.3 | Confident | 91 Ų | 91 | 80.4 Ų | 80.4 | 40% | 0.396 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 156.3 | 173.8 | -66.1 | -178 | -177.8 | 167.7 | 0 | 109.4 | R164 Y165 S167 | K142-R164 CarbonylContact O-C 3.58Å; K142-R164 WeakPolarHBondContact O-CA 3.44Å; K142-R164 WeakPolarHBondContact O-CB 3.42Å; K142-Y165 HydrophobicContact CB-CD1 4.25Å; K142-Y165 HydrophobicContact CB-CD2 4.42Å; K142-Y165 HydrophobicContact CB-CE1 3.77Å; K142-Y165 HydrophobicContact CB-CE2 3.97Å; K142-Y165 HydrophobicContact CD-CE2 3.86Å; K142-Y165 HydrophobicContact CG-CE2 4.47Å; K142-Y165 PolarHBondContact N-O 3.47Å; K142-Y165 PolarHBondContact O-N 3.49Å; K142-S167 PolarHBondContact NZ-OG 3.02Å |
| 143 | E | 97.9 | Very high | 86.6 | Confident | 123 Ų | 123 | 79.1 Ų | 79.1 | 58% | 0.575 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132 | 149.8 | 179.9 | 66.5 | -173.1 | -169.8 | 0 | 0 | 111.7 | I162 F163 R164 | E143-I162 HydrophobicContact CB-CG2 4.08Å; E143-F163 WeakPolarHBondContact CA-O 3.18Å; E143-R164 HydrophobicContact CB-CG 3.94Å; E143-R164 IonicContact OE2-NE 3.81Å |
| 144 | V | 98.4 | Very high | 89.2 | Confident | 55 Ų | 55 | 79 Ų | 79 | 33% | 0.333 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 137.2 | 175.9 | 59.2 | 0 | 0 | 0 | 0 | 109.2 | L146 F163 Y165 | V144-L146 HydrophobicContact CG1-CD1 3.9Å; V144-L146 HydrophobicContact CG1-CG 4.01Å; V144-L146 HydrophobicContact CG2-CD2 3.92Å; V144-L146 HydrophobicContact CG2-CG 4.12Å; V144-F163 HydrophobicContact CG1-CB 4.15Å; V144-F163 HydrophobicContact CG1-CD1 3.98Å; V144-F163 PolarHBondContact N-O 3.33Å; V144-F163 PolarHBondContact O-N 2.89Å; V144-Y165 HydrophobicContact CG1-CE1 4.23Å |
| 145 | H | 98.6 | Very high | 91.6 | Very high | 130 Ų | 130 | 75.7 Ų | 75.7 | 60% | 0.602 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86 | 129.6 | 173.8 | -67.8 | -157.4 | 0 | 0 | 0 | 108.5 | I162 | H145-I162 WeakPolarHBondContact NE2-CD1 3.41Å |
| 146 | L | 98.4 | Very high | 94 | Very high | 47 Ų | 47 | 75.9 Ų | 75.9 | 25% | 0.246 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 157.7 | -174.6 | -65 | 176.5 | 0 | 0 | 0 | 110.5 | V144 D150 L151 E160 L161 F163 | V144-L146 HydrophobicContact CG1-CD1 3.9Å; V144-L146 HydrophobicContact CG1-CG 4.01Å; V144-L146 HydrophobicContact CG2-CD2 3.92Å; V144-L146 HydrophobicContact CG2-CG 4.12Å; L146-D150 HydrophobicContact CB-CB 4.3Å; L146-D150 HydrophobicContact CD2-CB 4.35Å; L146-L151 HydrophobicContact CD1-CD2 4.26Å; L146-E160 CarbonylContact O-C 3.55Å; L146-E160 WeakPolarHBondContact O-CA 3.34Å; L146-L161 PolarHBondContact N-O 3.23Å; L146-L161 PolarHBondContact O-N 3.43Å; L146-F163 HydrophobicContact CD1-CB 3.94Å; L146-F163 HydrophobicContact CD1-CD1 4.47Å; L146-F163 HydrophobicContact CD1-CG 4.41Å |
| 147 | N | 98.3 | Very high | 96.1 | Very high | 55 Ų | 55 | 72.6 Ų | 72.6 | 29% | 0.294 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 154.7 | 161.6 | -56.5 | -77.3 | 0 | 0 | 0 | 109.6 | T149 D150 E160 | N147-T149 WeakPolarHBondContact CB-OG1 3.4Å; N147-T149 PolarHBondContact O-N 3.16Å; N147-D150 WeakPolarHBondContact CB-OD2 3.35Å; N147-D150 PolarHBondContact N-OD2 2.93Å; N147-D150 PolarHBondContact ND2-OD2 3.47Å; N147-D150 WeakPolarHBondContact O-CB 3.4Å; N147-D150 PolarHBondContact O-N 3.14Å; N147-E160 WeakPolarHBondContact OD1-CG 3.25Å |
| 148 | V | 98.1 | Very high | 97.2 | Very high | 1 Ų | 1 | 72.6 Ų | 72.6 | 1% | 0.006 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -60.5 | -32 | 172.9 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | D150 L151 Y155 T157 E159 L161 F211 | V148-D150 VanDerWaalsContact C-N 3.27Å; V148-D150 PolarHBondContact O-N 3.36Å; V148-L151 WeakPolarHBondContact O-CB 3.38Å; V148-L151 WeakPolarHBondContact O-CG 3.42Å; V148-L151 PolarHBondContact O-N 2.84Å; V148-Y155 HydrophobicContact CG1-CD2 4.32Å; V148-T157 HydrophobicContact CB-CG2 3.5Å; V148-T157 VanDerWaalsContact CB-CG2 3.5Å; V148-T157 HydrophobicContact CG1-CG2 3.55Å; V148-T157 HydrophobicContact CG2-CG2 4.19Å; V148-E159 HydrophobicContact CG2-CB 4.08Å; V148-E159 WeakPolarHBondContact CG2-O 3.48Å; V148-E159 PolarHBondContact N-O 2.65Å; V148-L161 HydrophobicContact CB-CD2 4.27Å; V148-L161 HydrophobicContact CG2-CD2 3.6Å; V148-F211 HydrophobicContact CG1-CD1 4.19Å; V148-F211 HydrophobicContact CG1-CD2 4.35Å; V148-F211 HydrophobicContact CG1-CE1 3.66Å; V148-F211 HydrophobicContact CG1-CE2 3.88Å; V148-F211 HydrophobicContact CG1-CZ 3.52Å; V148-F211 HydrophobicContact CG2-CD1 4.13Å; V148-F211 HydrophobicContact CG2-CE1 4.35Å; V148-F211 HydrophobicContact CG2-CG 4.38Å |
| 149 | T | 98.1 | Very high | 97.6 | Very high | 65 Ų | 65 | 74.7 Ų | 74.7 | 40% | 0.399 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -62.9 | -32.3 | 175 | 52.3 | 0 | 0 | 0 | 0 | 113 | N147 L151 G152 T157 | N147-T149 WeakPolarHBondContact CB-OG1 3.4Å; N147-T149 PolarHBondContact O-N 3.16Å; T149-L151 PolarHBondContact O-N 3.25Å; T149-G152 PolarHBondContact O-N 2.96Å; T149-G152 VanDerWaalsContact O-N 3.13Å; T149-T157 VanDerWaalsContact CG2-O 3.3Å; T149-T157 WeakPolarHBondContact CG2-O 3.46Å |
| 150 | D | 98.3 | Very high | 97.7 | Very high | 92 Ų | 92 | 80.1 Ų | 80.1 | 49% | 0.492 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -69.6 | -15.8 | -177.9 | -59 | -31.4 | 0 | 0 | 0 | 112.1 | L146 N147 V148 G152 | L146-D150 HydrophobicContact CB-CB 4.3Å; L146-D150 HydrophobicContact CD2-CB 4.35Å; N147-D150 WeakPolarHBondContact CB-OD2 3.35Å; N147-D150 PolarHBondContact N-OD2 2.93Å; N147-D150 PolarHBondContact ND2-OD2 3.47Å; N147-D150 WeakPolarHBondContact O-CB 3.4Å; N147-D150 PolarHBondContact O-N 3.14Å; V148-D150 VanDerWaalsContact C-N 3.27Å; V148-D150 PolarHBondContact O-N 3.36Å; D150-G152 PolarHBondContact O-N 3.37Å |
| 151 | L | 97.4 | Very high | 97.8 | Very high | 42 Ų | 42 | 77.4 Ų | 77.4 | 22% | 0.22 | 41% | 0.413 | C | S | . | . | G | 310 helix | trans | -70.7 | -16.6 | 174.2 | -57.3 | 179.8 | 0 | 0 | 0 | 112.9 | L146 V148 T149 L153 L161 F163 L221 | L146-L151 HydrophobicContact CD1-CD2 4.26Å; V148-L151 WeakPolarHBondContact O-CB 3.38Å; V148-L151 WeakPolarHBondContact O-CG 3.42Å; V148-L151 PolarHBondContact O-N 2.84Å; T149-L151 PolarHBondContact O-N 3.25Å; L151-L153 VanDerWaalsContact C-N 3.25Å; L151-L153 HydrophobicContact CB-CD1 4.11Å; L151-L153 HydrophobicContact CB-CG 4Å; L151-L153 HydrophobicContact CD1-CD1 4.19Å; L151-L153 PolarHBondContact O-N 3.08Å; L151-L161 HydrophobicContact CD1-CD1 4.44Å; L151-L161 HydrophobicContact CD1-CD2 3.78Å; L151-L161 HydrophobicContact CG-CD2 4.22Å; L151-F163 HydrophobicContact CD2-CD2 4.4Å; L151-L221 HydrophobicContact CD1-CD1 3.81Å |
| 152 | G | 97.7 | Very high | 97.9 | Very high | 67 Ų | 67 | 77.4 Ų | 77.4 | 69% | 0.691 | 41% | 0.413 | S | S | * | . | trans | 67.4 | 22.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | T149 D150 G154 | T149-G152 PolarHBondContact O-N 2.96Å; T149-G152 VanDerWaalsContact O-N 3.13Å; D150-G152 PolarHBondContact O-N 3.37Å; G152-G154 VanDerWaalsContact C-N 3.32Å | ||
| 153 | L | 97.4 | Very high | 97.9 | Very high | 101 Ų | 101 | 75.8 Ų | 75.8 | 53% | 0.529 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -87.9 | 2.5 | -179 | -61.7 | 176.5 | 0 | 0 | 0 | 113.7 | L151 Y155 L221 | L151-L153 VanDerWaalsContact C-N 3.25Å; L151-L153 HydrophobicContact CB-CD1 4.11Å; L151-L153 HydrophobicContact CB-CG 4Å; L151-L153 HydrophobicContact CD1-CD1 4.19Å; L151-L153 PolarHBondContact O-N 3.08Å; L153-Y155 HydrophobicContact CB-CD2 3.69Å; L153-Y155 HydrophobicContact CB-CE2 3.58Å; L153-Y155 HydrophobicContact CD1-CE2 4.19Å; L153-L221 HydrophobicContact CD1-CD1 4.2Å; L153-L221 HydrophobicContact CD1-CD2 3.94Å |
| 154 | G | 97.1 | Very high | 97.9 | Very high | 72 Ų | 72 | 73.5 Ų | 73.5 | 74% | 0.742 | 39% | 0.392 | S | S | * | . | S | Bend | trans | 88.2 | 4.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | G152 | G152-G154 VanDerWaalsContact C-N 3.32Š|
| 155 | Y | 97.4 | Very high | 97.9 | Very high | 66 Ų | 66 | 75.2 Ų | 75.2 | 26% | 0.259 | 39% | 0.393 | S | S | . | . | trans | -76.7 | 138.9 | 175.3 | -58.1 | -71.6 | 0 | 0 | 0 | 111.6 | V148 L153 F211 H219 L221 | V148-Y155 HydrophobicContact CG1-CD2 4.32Å; L153-Y155 HydrophobicContact CB-CD2 3.69Å; L153-Y155 HydrophobicContact CB-CE2 3.58Å; L153-Y155 HydrophobicContact CD1-CE2 4.19Å; Y155-F211 AromaticContact CD1-CE2 3.88Å; Y155-F211 HydrophobicContact CD1-CE2 3.88Å; Y155-F211 AromaticContact CD1-CZ 3.76Å; Y155-F211 HydrophobicContact CD1-CZ 3.76Å; Y155-F211 HydrophobicContact CD2-CE2 4.38Å; Y155-F211 AromaticContact CD2-CZ 3.64Å; Y155-F211 HydrophobicContact CD2-CZ 3.64Å; Y155-F211 HydrophobicContact CE1-CZ 4.1Å; Y155-F211 HydrophobicContact CE2-CZ 4Å; Y155-F211 AromaticContact CG-CE2 3.8Å; Y155-F211 HydrophobicContact CG-CE2 3.8Å; Y155-F211 AromaticContact CG-CZ 3.51Å; Y155-F211 HydrophobicContact CG-CZ 3.51Å; Y155-H219 HydrophobicContact CD1-CB 4.49Å; Y155-H219 AromaticContact CD1-CG 3.97Å; Y155-H219 HydrophobicContact CE1-CB 4.04Å; Y155-H219 AromaticContact CE1-CG 3.63Å; Y155-H219 AromaticContact CE1-ND1 3.54Å; Y155-L221 HydrophobicContact CE2-CD2 3.8Å | ||
| 156 | Q | 97.6 | Very high | 97.9 | Very high | 137 Ų | 137 | 70.1 Ų | 70.1 | 64% | 0.64 | 37% | 0.372 | S | S | * | . | trans | -106.9 | 99.5 | 171.8 | -62.9 | -176.6 | 30.6 | 0 | 0 | 108.1 | D213 D214 | Q156-D213 WeakPolarHBondContact O-CA 3.4Å; Q156-D213 VanDerWaalsContact O-CB 3.3Å; Q156-D213 WeakPolarHBondContact O-CB 3.44Å; Q156-D214 PolarHBondContact O-N 2.77Å | ||
| 157 | T | 97.9 | Very high | 97.8 | Very high | 10 Ų | 10 | 69.7 Ų | 69.7 | 6% | 0.061 | 37% | 0.373 | C | S | . | . | trans | -153.5 | 159.8 | -178.6 | -179.5 | 0 | 0 | 0 | 0 | 109.5 | V148 T149 E159 F211 L212 | V148-T157 HydrophobicContact CB-CG2 3.5Å; V148-T157 VanDerWaalsContact CB-CG2 3.5Å; V148-T157 HydrophobicContact CG1-CG2 3.55Å; V148-T157 HydrophobicContact CG2-CG2 4.19Å; T149-T157 VanDerWaalsContact CG2-O 3.3Å; T149-T157 WeakPolarHBondContact CG2-O 3.46Å; T157-E159 HydrophobicContact CG2-CB 4.4Å; T157-E159 PolarHBondContact OG1-N 2.91Å; T157-E159 VanDerWaalsContact OG1-N 3.16Å; T157-F211 HydrophobicContact CG2-CD2 3.9Å; T157-F211 HydrophobicContact CG2-CE2 3.99Å; T157-L212 WeakPolarHBondContact CB-O 3.26Å; T157-L212 PolarHBondContact OG1-O 2.98Å | ||
| 158 | K | 97.1 | Very high | 97.7 | Very high | 176 Ų | 176 | 68.6 Ų | 68.6 | 77% | 0.765 | 38% | 0.375 | S | S | * | . | trans | -99.9 | 6.5 | 173.1 | -60.7 | 173.8 | -171.5 | 167 | 0 | 112.5 | ||||
| 159 | E | 97.7 | Very high | 97.5 | Very high | 71 Ų | 71 | 71.1 Ų | 71.1 | 33% | 0.332 | 39% | 0.391 | S | S | . | . | trans | -71.4 | 149 | 176.9 | -70.3 | -158.2 | -149.8 | 0 | 0 | 112.2 | V148 T157 F211 L212 | V148-E159 HydrophobicContact CG2-CB 4.08Å; V148-E159 WeakPolarHBondContact CG2-O 3.48Å; V148-E159 PolarHBondContact N-O 2.65Å; T157-E159 HydrophobicContact CG2-CB 4.4Å; T157-E159 PolarHBondContact OG1-N 2.91Å; T157-E159 VanDerWaalsContact OG1-N 3.16Å; E159-F211 HydrophobicContact CB-CB 3.96Å; E159-F211 HydrophobicContact CG-CB 3.99Å; E159-F211 VanDerWaalsContact OE1-CA 3.32Å; E159-F211 WeakPolarHBondContact OE1-CA 3.48Å; E159-F211 WeakPolarHBondContact OE1-CB 3.5Å; E159-F211 VanDerWaalsContact OE2-CA 3.29Å; E159-F211 WeakPolarHBondContact OE2-CA 3.2Å; E159-F211 WeakPolarHBondContact OE2-CB 3.4Å; E159-L212 PolarHBondContact OE1-N 2.96Å | ||
| 160 | E | 97.8 | Very high | 97.3 | Very high | 139 Ų | 139 | 68.7 Ų | 68.7 | 65% | 0.65 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 156.9 | -177.9 | -67.6 | -178.6 | 178.2 | 0 | 0 | 110.7 | L146 N147 | L146-E160 CarbonylContact O-C 3.55Å; L146-E160 WeakPolarHBondContact O-CA 3.34Å; N147-E160 WeakPolarHBondContact OD1-CG 3.25Å |
| 161 | L | 97.8 | Very high | 96.9 | Very high | 15 Ų | 15 | 70 Ų | 70 | 8% | 0.079 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 164.5 | 173.4 | 70.6 | 135.3 | 0 | 0 | 0 | 112.8 | L146 V148 L151 F163 L209 | L146-L161 PolarHBondContact N-O 3.23Å; L146-L161 PolarHBondContact O-N 3.43Å; V148-L161 HydrophobicContact CB-CD2 4.27Å; V148-L161 HydrophobicContact CG2-CD2 3.6Å; L151-L161 HydrophobicContact CD1-CD1 4.44Å; L151-L161 HydrophobicContact CD1-CD2 3.78Å; L151-L161 HydrophobicContact CG-CD2 4.22Å; L161-F163 HydrophobicContact CD1-CB 4.06Å; L161-L209 HydrophobicContact CB-CD2 3.64Å; L161-L209 HydrophobicContact CD1-CD2 4.12Å; L161-L209 HydrophobicContact CD2-CD2 4.03Å; L161-L209 HydrophobicContact CG-CD2 4.14Å |
| 162 | I | 98.4 | Very high | 96.4 | Very high | 71 Ų | 71 | 76.7 Ų | 76.7 | 36% | 0.364 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 107.8 | 166.1 | -55.9 | -179 | 0 | 0 | 0 | 107.5 | E143 H145 R164 | E143-I162 HydrophobicContact CB-CG2 4.08Å; H145-I162 WeakPolarHBondContact NE2-CD1 3.41Å; I162-R164 HydrophobicContact CG2-CG 4.38Å |
| 163 | F | 98.7 | Very high | 96.1 | Very high | 57 Ų | 57 | 75.8 Ų | 75.8 | 25% | 0.25 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 123.1 | 175.4 | 177.6 | -102.6 | 0 | 0 | 0 | 110 | E143 V144 L146 L151 L161 Y165 H224 | E143-F163 WeakPolarHBondContact CA-O 3.18Å; V144-F163 HydrophobicContact CG1-CB 4.15Å; V144-F163 HydrophobicContact CG1-CD1 3.98Å; V144-F163 PolarHBondContact N-O 3.33Å; V144-F163 PolarHBondContact O-N 2.89Å; L146-F163 HydrophobicContact CD1-CB 3.94Å; L146-F163 HydrophobicContact CD1-CD1 4.47Å; L146-F163 HydrophobicContact CD1-CG 4.41Å; L151-F163 HydrophobicContact CD2-CD2 4.4Å; L161-F163 HydrophobicContact CD1-CB 4.06Å; F163-Y165 HydrophobicContact CD1-CD1 4.02Å; F163-Y165 AromaticContact CE1-CD1 3.94Å; F163-Y165 HydrophobicContact CE1-CD1 3.94Å; F163-Y165 HydrophobicContact CE1-CG 4.14Å; F163-H224 WeakPolarHBondContact CE2-O 3.3Å |
| 164 | R | 98.6 | Very high | 95.7 | Very high | 75 Ų | 75 | 73.4 Ų | 73.4 | 28% | 0.283 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 140.9 | 174.5 | -53.5 | -169.2 | -179.9 | 107.1 | 0.3 | 111.5 | L141 K142 E143 I162 D206 S225 A226 | L141-R164 HydrophobicContact CD1-CB 3.94Å; L141-R164 HydrophobicContact CG-CB 4.35Å; K142-R164 CarbonylContact O-C 3.58Å; K142-R164 WeakPolarHBondContact O-CA 3.44Å; K142-R164 WeakPolarHBondContact O-CB 3.42Å; E143-R164 HydrophobicContact CB-CG 3.94Å; E143-R164 IonicContact OE2-NE 3.81Å; I162-R164 HydrophobicContact CG2-CG 4.38Å; R164-D206 IonicContact CZ-OD2 2.8Å; R164-D206 VanDerWaalsContact NH1-CG 3.28Å; R164-D206 IonicContact NH1-OD1 3.64Å; R164-D206 PolarHBondContact NH1-OD1 2.67Å; R164-D206 IonicContact NH1-OD2 3.2Å; R164-D206 PolarHBondContact NH1-OD2 3.25Å; R164-S225 WeakPolarHBondContact CB-OG 3.37Å; R164-S225 PolarHBondContact N-OG 3.48Å; R164-A226 WeakPolarHBondContact CB-O 3.36Å; R164-A226 WeakPolarHBondContact O-CB 3.37Å; R164-A226 PolarHBondContact O-N 2.85Å |
| 165 | Y | 98.6 | Very high | 95.5 | Very high | 90 Ų | 90 | 73.4 Ų | 73.4 | 35% | 0.353 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 155.5 | -177.4 | 65.1 | -81.8 | 0 | 0 | 0 | 112.6 | K142 V144 F163 | K142-Y165 HydrophobicContact CB-CD1 4.25Å; K142-Y165 HydrophobicContact CB-CD2 4.42Å; K142-Y165 HydrophobicContact CB-CE1 3.77Å; K142-Y165 HydrophobicContact CB-CE2 3.97Å; K142-Y165 HydrophobicContact CD-CE2 3.86Å; K142-Y165 HydrophobicContact CG-CE2 4.47Å; K142-Y165 PolarHBondContact N-O 3.47Å; K142-Y165 PolarHBondContact O-N 3.49Å; V144-Y165 HydrophobicContact CG1-CE1 4.23Å; F163-Y165 HydrophobicContact CD1-CD1 4.02Å; F163-Y165 AromaticContact CE1-CD1 3.94Å; F163-Y165 HydrophobicContact CE1-CD1 3.94Å; F163-Y165 HydrophobicContact CE1-CG 4.14Å |
| 166 | C | 98.2 | Very high | 95.4 | Very high | 23 Ų | 23 | 76 Ų | 76 | 16% | 0.155 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 128 | 179.5 | -61.2 | 0 | 0 | 0 | 0 | 110.7 | L140 P202 C229 | L140-C166 WeakPolarHBondContact O-CA 3.33Å; C166-P202 VanDerWaalsContact SG-CA 3.54Å; C166-C229 WeakPolarHBondContact CA-SG 3.35Å; C166-C229 HydrophobicContact CB-CB 3.7Å; C166-C229 WeakPolarHBondContact CB-SG 3.5Å; C166-C229 WeakPolarHBondContact SG-CA 3.46Å; C166-C229 WeakPolarHBondContact SG-CB 3.5Å; C166-C229 CovalentContact SG-SG 2.03Å; C166-C229 PolarHBondContact SG-SG 2.03Å |
| 167 | S | 96.5 | Very high | 95.2 | Very high | 39 Ų | 39 | 76.5 Ų | 76.5 | 27% | 0.273 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 136.7 | -178.4 | 176.4 | 0 | 0 | 0 | 0 | 110.4 | L140 K142 C200 | L140-S167 PolarHBondContact N-O 3.12Å; L140-S167 PolarHBondContact O-N 3.37Å; K142-S167 PolarHBondContact NZ-OG 3.02Å; S167-C200 PolarHBondContact N-SG 3.32Å |
| 168 | G | 94.9 | Very high | 94.9 | Very high | 32 Ų | 32 | 76.3 Ų | 76.3 | 33% | 0.33 | 38% | 0.384 | S | S | . | . | S | Bend | trans | 146.2 | 166.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | G138 C200 | G138-G168 WeakPolarHBondContact O-CA 3.37Å; G168-C200 WeakPolarHBondContact O-CB 3.34Å |
| 169 | P | 94.4 | Very high | 94.7 | Very high | 54 Ų | 54 | 72.9 Ų | 72.9 | 35% | 0.351 | 37% | 0.37 | S | S | . | . | trans | -73.8 | 150.3 | 176.9 | 30.9 | -33.5 | 0 | 0 | 0 | 111.8 | R137 G138 C139 I171 | R137-P169 WeakPolarHBondContact O-CD 3.15Å; G138-P169 CarbonylContact C-O 3.43Å; G138-P169 WeakPolarHBondContact CA-O 3.25Å; C139-P169 PolarHBondContact N-O 2.93Å; P169-I171 HydrophobicContact CB-CD1 4.18Å; P169-I171 HydrophobicContact CB-CG1 4.23Å | ||
| 170 | C | 94.4 | Very high | 94.4 | Very high | 14 Ų | 14 | 74.1 Ų | 74.1 | 10% | 0.095 | 38% | 0.377 | C | S | . | . | trans | -117 | 24.6 | 177.5 | -79.1 | 0 | 0 | 0 | 0 | 113.6 | E172 A173 E174 T198 C231 | C170-E172 VanDerWaalsContact C-N 3.27Å; C170-E172 PolarHBondContact O-N 3.05Å; C170-A173 PolarHBondContact O-N 3.21Å; C170-A173 VanDerWaalsContact O-N 3.09Å; C170-E174 PolarHBondContact O-N 3.33Å; C170-T198 HydrophobicContact CB-CG2 3.8Å; C170-C231 WeakPolarHBondContact CA-SG 3.48Å; C170-C231 HydrophobicContact CB-CB 3.7Å; C170-C231 WeakPolarHBondContact CB-SG 3.39Å; C170-C231 WeakPolarHBondContact SG-CA 3.23Å; C170-C231 WeakPolarHBondContact SG-CB 3.32Å; C170-C231 CovalentContact SG-SG 2.03Å; C170-C231 PolarHBondContact SG-SG 3.47Å | ||
| 171 | I | 89.7 | Confident | 94.1 | Very high | 119 Ų | 119 | 68.1 Ų | 68.1 | 61% | 0.61 | 35% | 0.35 | S | S | * | . | G | 310 helix | trans | -59.2 | -38.5 | -173 | -57.4 | 165.6 | 0 | 0 | 0 | 111.7 | P169 A173 E174 | P169-I171 HydrophobicContact CB-CD1 4.18Å; P169-I171 HydrophobicContact CB-CG1 4.23Å; I171-A173 VanDerWaalsContact C-N 3.3Å; I171-A173 PolarHBondContact O-N 2.95Å; I171-E174 PolarHBondContact O-N 3.37Å |
| 172 | E | 87.3 | Confident | 93.7 | Very high | 183 Ų | 183 | 70.5 Ų | 70.5 | 86% | 0.855 | 36% | 0.362 | S | S | * | . | G | 310 helix | trans | -75.1 | -19 | -178.2 | -63.7 | 178.6 | -175 | 0 | 0 | 113.5 | C170 | C170-E172 VanDerWaalsContact C-N 3.27Å; C170-E172 PolarHBondContact O-N 3.05Å |
| 173 | A | 89.7 | Confident | 93.4 | Very high | 47 Ų | 47 | 71.4 Ų | 71.4 | 39% | 0.388 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -94.4 | -1.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | C170 I171 T175 C231 | C170-A173 PolarHBondContact O-N 3.21Å; C170-A173 VanDerWaalsContact O-N 3.09Å; I171-A173 VanDerWaalsContact C-N 3.3Å; I171-A173 PolarHBondContact O-N 2.95Å; A173-T175 PolarHBondContact O-N 3.29Å; A173-C231 HydrophobicContact CB-CB 3.43Å; A173-C231 VanDerWaalsContact CB-CB 3.43Å |
| 174 | E | 90.3 | Very high | 93.1 | Very high | 51 Ų | 51 | 71.5 Ų | 71.5 | 24% | 0.238 | 37% | 0.371 | C | S | . | . | trans | -61.6 | 126.1 | -179.3 | -70.4 | -171.5 | 163.5 | 0 | 0 | 111.7 | C170 I171 D178 R197 | C170-E174 PolarHBondContact O-N 3.33Å; I171-E174 PolarHBondContact O-N 3.37Å; E174-D178 HydrophobicContact CB-CB 4.19Å; E174-D178 HydrophobicContact CG-CB 4.4Å; E174-R197 IonicContact OE1-CZ 3.77Å; E174-R197 IonicContact OE1-NH2 2.73Å; E174-R197 PolarHBondContact OE1-NH2 3.16Å | ||
| 175 | T | 92.7 | Very high | 92.6 | Very high | 72 Ų | 72 | 70.5 Ų | 70.5 | 44% | 0.442 | 37% | 0.373 | S | S | . | . | trans | -87.7 | 175.2 | 178.2 | 71.2 | 0 | 0 | 0 | 0 | 111.3 | A173 Y177 D178 K179 | A173-T175 PolarHBondContact O-N 3.29Å; T175-Y177 PolarHBondContact O-N 2.86Å; T175-Y177 WeakPolarHBondContact OG1-CB 3.27Å; T175-Y177 PolarHBondContact OG1-N 3.02Å; T175-D178 WeakPolarHBondContact CB-OD2 3.44Å; T175-D178 PolarHBondContact N-OD2 2.73Å; T175-D178 PolarHBondContact O-N 2.86Å; T175-D178 PolarHBondContact OG1-N 3.17Å; T175-D178 PolarHBondContact OG1-OD2 3.02Å; T175-K179 WeakPolarHBondContact O-CG 3.04Å; T175-K179 PolarHBondContact O-N 3.44Å; T175-K179 VanDerWaalsContact O-N 3.16Å | ||
| 176 | N | 94.6 | Very high | 92.2 | Very high | 121 Ų | 121 | 73.5 Ų | 73.5 | 65% | 0.647 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -60.2 | -32.4 | 170.1 | -72.2 | -21.3 | 0 | 0 | 0 | 112 | K179 I180 | N176-K179 PolarHBondContact O-N 3.4Å; N176-I180 WeakPolarHBondContact O-CB 3.45Å; N176-I180 WeakPolarHBondContact O-CD1 3.46Å; N176-I180 WeakPolarHBondContact O-CG1 3.39Å; N176-I180 PolarHBondContact O-N 3.46Å |
| 177 | Y | 93.3 | Very high | 91.8 | Very high | 147 Ų | 147 | 77.1 Ų | 77.1 | 58% | 0.576 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -59.7 | -50.5 | 175.4 | 173.3 | -94.6 | 0 | 0 | 0 | 110.7 | T175 K179 I180 L181 | T175-Y177 PolarHBondContact O-N 2.86Å; T175-Y177 WeakPolarHBondContact OG1-CB 3.27Å; T175-Y177 PolarHBondContact OG1-N 3.02Å; Y177-K179 VanDerWaalsContact C-N 3.31Å; Y177-K179 PolarHBondContact O-N 3.45Å; Y177-I180 PolarHBondContact O-N 3.22Å; Y177-L181 HydrophobicContact CE1-CD2 4.11Å; Y177-L181 WeakPolarHBondContact O-CB 3.46Å; Y177-L181 PolarHBondContact O-N 3.47Å |
| 178 | D | 92.4 | Very high | 91.5 | Very high | 7 Ų | 7 | 84.2 Ų | 84.2 | 4% | 0.037 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -60.5 | -39.4 | 178.4 | -58.8 | -85.9 | 0 | 0 | 0 | 112.6 | E174 T175 L181 N182 T198 | E174-D178 HydrophobicContact CB-CB 4.19Å; E174-D178 HydrophobicContact CG-CB 4.4Å; T175-D178 WeakPolarHBondContact CB-OD2 3.44Å; T175-D178 PolarHBondContact N-OD2 2.73Å; T175-D178 PolarHBondContact O-N 2.86Å; T175-D178 PolarHBondContact OG1-N 3.17Å; T175-D178 PolarHBondContact OG1-OD2 3.02Å; D178-L181 WeakPolarHBondContact O-CB 3.46Å; D178-L181 PolarHBondContact O-N 3.23Å; D178-N182 VanDerWaalsContact O-CB 3.29Å; D178-N182 WeakPolarHBondContact O-CB 3.49Å; D178-N182 PolarHBondContact O-N 3.46Å; D178-T198 PolarHBondContact OD1-N 3.31Å; D178-T198 VanDerWaalsContact OD1-N 3.1Å; D178-T198 PolarHBondContact OD1-OG1 2.95Å; D178-T198 PolarHBondContact OD2-OG1 3.5Å |
| 179 | K | 91.9 | Very high | 91.2 | Very high | 104 Ų | 104 | 90.2 Ų | 90.2 | 45% | 0.452 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.3 | -45.1 | 177.6 | -68.7 | 172.2 | -174.1 | 171.8 | 0 | 111.7 | T175 N176 Y177 L181 N182 N183 | T175-K179 WeakPolarHBondContact O-CG 3.04Å; T175-K179 PolarHBondContact O-N 3.44Å; T175-K179 VanDerWaalsContact O-N 3.16Å; N176-K179 PolarHBondContact O-N 3.4Å; Y177-K179 VanDerWaalsContact C-N 3.31Å; Y177-K179 PolarHBondContact O-N 3.45Å; K179-L181 VanDerWaalsContact C-N 3.33Å; K179-N182 PolarHBondContact O-N 3.01Å; K179-N183 WeakPolarHBondContact O-CB 3.01Å; K179-N183 PolarHBondContact O-N 3.24Å; K179-N183 PolarHBondContact O-ND2 2.96Å |
| 180 | I | 92.3 | Very high | 90.8 | Very high | 97 Ų | 97 | 90.2 Ų | 90.2 | 50% | 0.497 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.6 | -47.9 | 175.7 | -69.4 | 163.3 | 0 | 0 | 0 | 109.2 | N176 Y177 N182 N183 L184 | N176-I180 WeakPolarHBondContact O-CB 3.45Å; N176-I180 WeakPolarHBondContact O-CD1 3.46Å; N176-I180 WeakPolarHBondContact O-CG1 3.39Å; N176-I180 PolarHBondContact O-N 3.46Å; Y177-I180 PolarHBondContact O-N 3.22Å; I180-N182 PolarHBondContact O-N 3.14Å; I180-N183 PolarHBondContact O-N 3.29Å; I180-L184 HydrophobicContact CG2-CD1 3.74Å; I180-L184 HydrophobicContact CG2-CG 4.14Å; I180-L184 WeakPolarHBondContact O-CG 3.04Å; I180-L184 PolarHBondContact O-N 3.5Å |
| 181 | L | 91.6 | Very high | 90.1 | Very high | 13 Ų | 13 | 96.6 Ų | 96.6 | 7% | 0.068 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -56.4 | -50.8 | 179.2 | -157.1 | 69.5 | 0 | 0 | 0 | 111.5 | Y177 D178 K179 N183 L184 T185 L190 P195 | Y177-L181 HydrophobicContact CE1-CD2 4.11Å; Y177-L181 WeakPolarHBondContact O-CB 3.46Å; Y177-L181 PolarHBondContact O-N 3.47Å; D178-L181 WeakPolarHBondContact O-CB 3.46Å; D178-L181 PolarHBondContact O-N 3.23Å; K179-L181 VanDerWaalsContact C-N 3.33Å; L181-N183 VanDerWaalsContact C-N 3.31Å; L181-N183 PolarHBondContact O-N 2.96Å; L181-L184 PolarHBondContact O-N 3Å; L181-T185 WeakPolarHBondContact O-CB 3.47Å; L181-T185 PolarHBondContact O-N 3Å; L181-T185 PolarHBondContact O-OG1 3.26Å; L181-L190 HydrophobicContact CD1-CD1 4.07Å; L181-P195 HydrophobicContact CD1-CB 3.75Å; L181-P195 HydrophobicContact CD1-CG 3.17Å; L181-P195 HydrophobicContact CD2-CB 3.76Å; L181-P195 HydrophobicContact CD2-CG 3.67Å; L181-P195 HydrophobicContact CG-CB 4.06Å; L181-P195 HydrophobicContact CG-CG 3.42Å; L181-P195 VanDerWaalsContact CG-CG 3.42Å |
| 182 | N | 89.5 | Confident | 89.6 | Confident | 64 Ų | 64 | 100.9 Ų | 100.9 | 34% | 0.342 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58 | -42.5 | 177.3 | -176 | 69.6 | 0 | 0 | 0 | 112.1 | D178 K179 I180 H186 R197 | D178-N182 VanDerWaalsContact O-CB 3.29Å; D178-N182 WeakPolarHBondContact O-CB 3.49Å; D178-N182 PolarHBondContact O-N 3.46Å; K179-N182 PolarHBondContact O-N 3.01Å; I180-N182 PolarHBondContact O-N 3.14Å; N182-H186 WeakPolarHBondContact O-CB 3.34Å; N182-H186 PolarHBondContact O-N 3.12Å; N182-R197 PolarHBondContact OD1-NH1 2.88Å |
| 183 | N | 91.9 | Very high | 89.1 | Confident | 91 Ų | 91 | 98.1 Ų | 98.1 | 49% | 0.487 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67 | -43.3 | 177.3 | -71.3 | -24.7 | 0 | 0 | 0 | 112.5 | K179 I180 L181 H186 N187 | K179-N183 WeakPolarHBondContact O-CB 3.01Å; K179-N183 PolarHBondContact O-N 3.24Å; K179-N183 PolarHBondContact O-ND2 2.96Å; I180-N183 PolarHBondContact O-N 3.29Å; L181-N183 VanDerWaalsContact C-N 3.31Å; L181-N183 PolarHBondContact O-N 2.96Å; N183-H186 PolarHBondContact O-N 2.63Å; N183-N187 VanDerWaalsContact O-CB 3.3Å; N183-N187 WeakPolarHBondContact O-CB 3Å; N183-N187 PolarHBondContact O-N 3.26Å; N183-N187 PolarHBondContact O-ND2 3.04Å |
| 184 | L | 91.3 | Very high | 88.6 | Confident | 59 Ų | 59 | 101.6 Ų | 101.6 | 31% | 0.309 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.2 | -39.4 | 179.7 | -67 | 175.8 | 0 | 0 | 0 | 111.6 | I180 L181 N187 K188 K189 L190 | I180-L184 HydrophobicContact CG2-CD1 3.74Å; I180-L184 HydrophobicContact CG2-CG 4.14Å; I180-L184 WeakPolarHBondContact O-CG 3.04Å; I180-L184 PolarHBondContact O-N 3.5Å; L181-L184 PolarHBondContact O-N 3Å; L184-N187 CarbonylContact O-C 3.58Å; L184-N187 PolarHBondContact O-N 3.25Å; L184-K188 PolarHBondContact O-N 3.33Å; L184-K188 VanDerWaalsContact O-N 3.12Å; L184-K189 HydrophobicContact CB-CB 4.44Å; L184-K189 HydrophobicContact CD2-CB 3.88Å; L184-K189 HydrophobicContact CD2-CD 4.12Å; L184-K189 PolarHBondContact O-N 3.44Å; L184-L190 HydrophobicContact CB-CD1 3.69Å; L184-L190 HydrophobicContact CB-CG 3.78Å; L184-L190 HydrophobicContact CD1-CG 4.46Å |
| 185 | T | 90.1 | Very high | 88.3 | Confident | 53 Ų | 53 | 100.9 Ų | 100.9 | 33% | 0.325 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.6 | -47.3 | 174.1 | -55.7 | 0 | 0 | 0 | 0 | 110.8 | L181 N187 K188 L190 | L181-T185 WeakPolarHBondContact O-CB 3.47Å; L181-T185 PolarHBondContact O-N 3Å; L181-T185 PolarHBondContact O-OG1 3.26Å; T185-N187 VanDerWaalsContact C-N 3.28Å; T185-N187 PolarHBondContact O-N 3.09Å; T185-K188 PolarHBondContact O-N 3.25Å; T185-K188 VanDerWaalsContact O-N 3.14Å; T185-L190 WeakPolarHBondContact OG1-CD1 3.04Å |
| 186 | H | 88.7 | Confident | 87.8 | Confident | 154 Ų | 154 | 102.3 Ų | 102.3 | 71% | 0.713 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.1 | -35.5 | 178.5 | -170.2 | -78 | 0 | 0 | 0 | 112.5 | N182 N183 K188 | N182-H186 WeakPolarHBondContact O-CB 3.34Å; N182-H186 PolarHBondContact O-N 3.12Å; N183-H186 PolarHBondContact O-N 2.63Å; H186-K188 VanDerWaalsContact C-N 3.29Å; H186-K188 PolarHBondContact O-N 3.29Å |
| 187 | N | 90.6 | Very high | 87.4 | Confident | 99 Ų | 99 | 102.1 Ų | 102.1 | 53% | 0.529 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 4.7 | 178.8 | -65.5 | -35.2 | 0 | 0 | 0 | 113.8 | N183 L184 T185 K189 | N183-N187 VanDerWaalsContact O-CB 3.3Å; N183-N187 WeakPolarHBondContact O-CB 3Å; N183-N187 PolarHBondContact O-N 3.26Å; N183-N187 PolarHBondContact O-ND2 3.04Å; L184-N187 CarbonylContact O-C 3.58Å; L184-N187 PolarHBondContact O-N 3.25Å; T185-N187 VanDerWaalsContact C-N 3.28Å; T185-N187 PolarHBondContact O-N 3.09Å; N187-K189 HydrophobicContact CB-CD 4.5Å; N187-K189 HydrophobicContact CB-CG 4.08Å; N187-K189 PolarHBondContact O-N 3.34Å; N187-K189 VanDerWaalsContact O-N 3.16Å |
| 188 | K | 89.1 | Confident | 87.4 | Confident | 187 Ų | 187 | 96.2 Ų | 96.2 | 81% | 0.813 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 34.6 | -177.2 | -55.2 | 179.9 | -179.1 | 179.9 | 0 | 113 | L184 T185 H186 | L184-K188 PolarHBondContact O-N 3.33Å; L184-K188 VanDerWaalsContact O-N 3.12Å; T185-K188 PolarHBondContact O-N 3.25Å; T185-K188 VanDerWaalsContact O-N 3.14Å; H186-K188 VanDerWaalsContact C-N 3.29Å; H186-K188 PolarHBondContact O-N 3.29Å |
| 189 | K | 89.8 | Confident | 87.5 | Confident | 158 Ų | 158 | 98.9 Ų | 98.9 | 69% | 0.687 | 50% | 0.504 | S | S | * | . | trans | -93.2 | -14.6 | 177.8 | -73.4 | -164.6 | 173.2 | -167.6 | 0 | 113 | L184 N187 | L184-K189 HydrophobicContact CB-CB 4.44Å; L184-K189 HydrophobicContact CD2-CB 3.88Å; L184-K189 HydrophobicContact CD2-CD 4.12Å; L184-K189 PolarHBondContact O-N 3.44Å; N187-K189 HydrophobicContact CB-CD 4.5Å; N187-K189 HydrophobicContact CB-CG 4.08Å; N187-K189 PolarHBondContact O-N 3.34Å; N187-K189 VanDerWaalsContact O-N 3.16Å | ||
| 190 | L | 85.4 | Confident | 87.7 | Confident | 55 Ų | 55 | 94.9 Ų | 94.9 | 29% | 0.288 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -84.8 | 144.5 | 162.4 | -71.8 | 159.4 | 0 | 0 | 0 | 107.6 | L181 L184 T185 P195 | L181-L190 HydrophobicContact CD1-CD1 4.07Å; L184-L190 HydrophobicContact CB-CD1 3.69Å; L184-L190 HydrophobicContact CB-CG 3.78Å; L184-L190 HydrophobicContact CD1-CG 4.46Å; T185-L190 WeakPolarHBondContact OG1-CD1 3.04Å; L190-P195 HydrophobicContact CD1-CG 3.78Å |
| 191 | D | 80.4 | Confident | 88 | Confident | 148 Ų | 148 | 97.1 Ų | 97.1 | 79% | 0.791 | 49% | 0.49 | S | S | * | . | trans | -59 | -168.7 | 169.7 | -79.1 | -31.9 | 0 | 0 | 0 | 110.3 | D193 | D191-D193 PolarHBondContact O-N 3.5Š| ||
| 192 | K | 78.3 | Confident | 88.3 | Confident | 209 Ų | 209 | 97.9 Ų | 97.9 | 91% | 0.909 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -57.7 | -4.4 | -177.9 | -71 | 179.6 | 179.1 | 177.7 | 0 | 115.1 | ||
| 193 | D | 76.7 | Confident | 88.7 | Confident | 125 Ų | 125 | 99.7 Ų | 99.7 | 67% | 0.668 | 51% | 0.505 | S | S | * | . | trans | -76.2 | 125 | 176.9 | -63.4 | -26.9 | 0 | 0 | 0 | 110.8 | D191 P195 | D191-D193 PolarHBondContact O-N 3.5Å; D193-P195 VanDerWaalsContact C-CD 3.46Å; D193-P195 WeakPolarHBondContact O-CD 3.4Å | ||
| 194 | T | 80.1 | Confident | 89 | Confident | 119 Ų | 119 | 96.2 Ų | 96.2 | 73% | 0.73 | 49% | 0.489 | S | S | * | . | trans | -101.2 | 89.7 | 168.7 | -54.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 195 | P | 83.6 | Confident | 89.3 | Confident | 36 Ų | 36 | 96.9 Ų | 96.9 | 23% | 0.234 | 49% | 0.489 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 145.9 | -177.4 | 26.2 | -36.2 | 0 | 0 | 0 | 111 | L181 L190 D193 | L181-P195 HydrophobicContact CD1-CB 3.75Å; L181-P195 HydrophobicContact CD1-CG 3.17Å; L181-P195 HydrophobicContact CD2-CB 3.76Å; L181-P195 HydrophobicContact CD2-CG 3.67Å; L181-P195 HydrophobicContact CG-CB 4.06Å; L181-P195 HydrophobicContact CG-CG 3.42Å; L181-P195 VanDerWaalsContact CG-CG 3.42Å; L190-P195 HydrophobicContact CD1-CG 3.78Å; D193-P195 VanDerWaalsContact C-CD 3.46Å; D193-P195 WeakPolarHBondContact O-CD 3.4Å |
| 196 | S | 83.3 | Confident | 89.7 | Confident | 103 Ų | 103 | 95.5 Ų | 95.5 | 72% | 0.72 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 134.3 | -176 | 57.2 | 0 | 0 | 0 | 0 | 111.1 | ||
| 197 | R | 85.5 | Confident | 90.2 | Very high | 116 Ų | 116 | 94.3 Ų | 94.3 | 44% | 0.438 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -83.3 | 164 | 170.2 | -62 | 177.8 | 66.8 | 167.1 | 1.4 | 110.3 | E174 N182 C199 | E174-R197 IonicContact OE1-CZ 3.77Å; E174-R197 IonicContact OE1-NH2 2.73Å; E174-R197 PolarHBondContact OE1-NH2 3.16Å; N182-R197 PolarHBondContact OD1-NH1 2.88Å; R197-C199 PolarHBondContact O-N 3.07Å; R197-C199 PolarHBondContact O-SG 3.45Å |
| 198 | T | 92.8 | Very high | 90.6 | Very high | 24 Ų | 24 | 93.4 Ų | 93.4 | 15% | 0.147 | 47% | 0.474 | C | S | . | . | P | Polyproline II helix | trans | -48.5 | 124.9 | 168.1 | -62 | 0 | 0 | 0 | 0 | 111.4 | C170 D178 C231 V232 | C170-T198 HydrophobicContact CB-CG2 3.8Å; D178-T198 PolarHBondContact OD1-N 3.31Å; D178-T198 VanDerWaalsContact OD1-N 3.1Å; D178-T198 PolarHBondContact OD1-OG1 2.95Å; D178-T198 PolarHBondContact OD2-OG1 3.5Å; T198-C231 HydrophobicContact CG2-CB 3.6Å; T198-V232 CarbonylContact C-O 3.54Å; T198-V232 WeakPolarHBondContact CA-O 3.47Å |
| 199 | C | 94 | Very high | 91 | Very high | 63 Ų | 63 | 86.4 Ų | 86.4 | 43% | 0.426 | 45% | 0.446 | S | S | . | . | trans | -124.3 | 151.6 | -177.3 | -70.9 | 0 | 0 | 0 | 0 | 111.9 | R197 R201 C231 V232 | R197-C199 PolarHBondContact O-N 3.07Å; R197-C199 PolarHBondContact O-SG 3.45Å; C199-R201 HydrophobicContact CB-CG 4.11Å; C199-R201 PolarHBondContact O-N 3.18Å; C199-C231 WeakPolarHBondContact O-CA 3.32Å; C199-V232 PolarHBondContact N-O 3.31Å; C199-V232 PolarHBondContact O-N 3.25Å; C199-V232 VanDerWaalsContact O-N 3.09Å | ||
| 200 | C | 96.9 | Very high | 91.4 | Very high | 19 Ų | 19 | 82.1 Ų | 82.1 | 13% | 0.128 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 107.2 | 172.9 | -177.7 | 0 | 0 | 0 | 0 | 110 | C139 S167 G168 | C139-C200 WeakPolarHBondContact CA-SG 3.45Å; C139-C200 HydrophobicContact CB-CB 3.68Å; C139-C200 WeakPolarHBondContact CB-SG 3.46Å; C139-C200 WeakPolarHBondContact SG-CA 3.09Å; C139-C200 WeakPolarHBondContact SG-CB 3.39Å; C139-C200 CovalentContact SG-SG 2.03Å; C139-C200 PolarHBondContact SG-SG 3.42Å; S167-C200 PolarHBondContact N-SG 3.32Å; G168-C200 WeakPolarHBondContact O-CB 3.34Å |
| 201 | R | 97.8 | Very high | 92 | Very high | 144 Ų | 144 | 79.6 Ų | 79.6 | 54% | 0.543 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 158 | -173.8 | -66.6 | -71.6 | -73.2 | 144.3 | -2.6 | 112 | C199 I203 C229 A230 V232 | C199-R201 HydrophobicContact CB-CG 4.11Å; C199-R201 PolarHBondContact O-N 3.18Å; R201-I203 PolarHBondContact O-N 3.48Å; R201-C229 WeakPolarHBondContact O-CA 3.33Å; R201-A230 PolarHBondContact N-O 3.24Å; R201-A230 PolarHBondContact O-N 3.45Å; R201-V232 HydrophobicContact CB-CG2 3.66Å; R201-V232 HydrophobicContact CG-CG2 3.93Å |
| 202 | P | 98.4 | Very high | 92.8 | Very high | 30 Ų | 30 | 74.8 Ų | 74.8 | 20% | 0.195 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 128 | 172.9 | 27.1 | -32.6 | 0 | 0 | 0 | 110.8 | C166 F205 A226 K228 | C166-P202 VanDerWaalsContact SG-CA 3.54Å; P202-F205 HydrophobicContact CB-CE1 3.99Å; P202-F205 HydrophobicContact CB-CZ 4.13Å; P202-F205 HydrophobicContact CG-CE1 3.78Å; P202-F205 HydrophobicContact CG-CZ 3.84Å; P202-A226 HydrophobicContact CB-CB 3.83Å; P202-K228 WeakPolarHBondContact CA-O 3.45Å |
| 203 | I | 98 | Very high | 93.7 | Very high | 101 Ų | 101 | 66 Ų | 66 | 52% | 0.518 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | -10.1 | 170.6 | 56 | 161.1 | 0 | 0 | 0 | 112.3 | R201 K228 A230 V232 | R201-I203 PolarHBondContact O-N 3.48Å; I203-K228 HydrophobicContact CD1-CB 4.19Å; I203-K228 HydrophobicContact CG1-CB 3.81Å; I203-K228 WeakPolarHBondContact CG1-O 3.27Å; I203-K228 PolarHBondContact N-O 2.63Å; I203-A230 HydrophobicContact CD1-CB 3.87Å; I203-A230 HydrophobicContact CG1-CB 4.17Å; I203-A230 HydrophobicContact CG2-CB 3.71Å; I203-V232 HydrophobicContact CG2-CG1 3.92Å |
| 204 | A | 98.3 | Very high | 94.7 | Very high | 19 Ų | 19 | 64.3 Ų | 64.3 | 16% | 0.157 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 150.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | R227 K228 | A204-R227 HydrophobicContact CB-CB 4.25Å; A204-R227 PolarHBondContact O-N 2.97Å; A204-K228 HydrophobicContact CB-CB 3.98Å; A204-K228 HydrophobicContact CB-CD 4.44Å; A204-K228 HydrophobicContact CB-CG 4.22Å; A204-K228 PolarHBondContact N-O 2.7Å; A204-K228 PolarHBondContact O-N 2.86Å |
| 205 | F | 98.8 | Very high | 95.5 | Very high | 72 Ų | 72 | 65 Ų | 65 | 32% | 0.316 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 156.4 | 177.3 | -61.8 | -87 | 0 | 0 | 0 | 110.4 | P202 K223 S225 R227 | P202-F205 HydrophobicContact CB-CE1 3.99Å; P202-F205 HydrophobicContact CB-CZ 4.13Å; P202-F205 HydrophobicContact CG-CE1 3.78Å; P202-F205 HydrophobicContact CG-CZ 3.84Å; F205-K223 HydrophobicContact CB-CB 4.38Å; F205-K223 HydrophobicContact CB-CG 4.44Å; F205-K223 HydrophobicContact CD1-CB 3.84Å; F205-K223 WeakPolarHBondContact CD1-O 3.29Å; F205-K223 HydrophobicContact CD2-CB 4.12Å; F205-K223 HydrophobicContact CD2-CD 4.26Å; F205-K223 HydrophobicContact CD2-CG 3.97Å; F205-K223 HydrophobicContact CE1-CB 4.13Å; F205-K223 HydrophobicContact CE2-CB 4.41Å; F205-K223 HydrophobicContact CE2-CD 4.27Å; F205-K223 HydrophobicContact CE2-CG 4.4Å; F205-K223 HydrophobicContact CG-CB 3.84Å; F205-K223 HydrophobicContact CG-CG 4.06Å; F205-K223 HydrophobicContact CZ-CB 4.41Å; F205-S225 CarbonylContact C-O 3.49Å; F205-S225 VanDerWaalsContact CA-O 3.25Å; F205-S225 WeakPolarHBondContact CA-O 3.33Å; F205-S225 WeakPolarHBondContact CB-O 3.34Å; F205-R227 VanDerWaalsContact C-CB 3.45Å; F205-R227 WeakPolarHBondContact O-CB 3.41Å; F205-R227 PolarHBondContact O-NE 3.34Å |
| 206 | D | 98.3 | Very high | 96.1 | Very high | 25 Ų | 25 | 68.4 Ų | 68.4 | 13% | 0.134 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 170.8 | 169.2 | -76.7 | -29.7 | 0 | 0 | 0 | 110.4 | R164 S225 R227 | R164-D206 IonicContact CZ-OD2 2.8Å; R164-D206 VanDerWaalsContact NH1-CG 3.28Å; R164-D206 IonicContact NH1-OD1 3.64Å; R164-D206 PolarHBondContact NH1-OD1 2.67Å; R164-D206 IonicContact NH1-OD2 3.2Å; R164-D206 PolarHBondContact NH1-OD2 3.25Å; D206-S225 PolarHBondContact N-O 3.1Å; D206-S225 PolarHBondContact OD2-OG 2.89Å; D206-R227 VanDerWaalsContact OD1-CB 3.25Å; D206-R227 WeakPolarHBondContact OD1-CB 3.37Å; D206-R227 WeakPolarHBondContact OD1-CG 3.44Å |
| 207 | D | 98.4 | Very high | 96.8 | Very high | 129 Ų | 129 | 66.9 Ų | 66.9 | 69% | 0.69 | 36% | 0.355 | S | S | * | . | P | Polyproline II helix | trans | -65.1 | 160.1 | 179.2 | -57.2 | -39.6 | 0 | 0 | 0 | 111.3 | L209 H224 R227 | D207-L209 PolarHBondContact O-N 3.09Å; D207-H224 PolarHBondContact O-CE1 3.48Å; D207-R227 IonicContact OD1-NH1 4Å |
| 208 | D | 98.3 | Very high | 97.4 | Very high | 80 Ų | 80 | 70 Ų | 70 | 43% | 0.428 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 132.8 | -180 | -69.5 | -9.9 | 0 | 0 | 0 | 110.5 | T220 L221 K222 | D208-T220 HydrophobicContact CB-CG2 3.77Å; D208-L221 WeakPolarHBondContact CA-O 3.32Å; D208-K222 WeakPolarHBondContact OD1-CA 3.49Å; D208-K222 WeakPolarHBondContact OD1-CB 3.43Å; D208-K222 WeakPolarHBondContact OD1-CG 3.22Å; D208-K222 VanDerWaalsContact OD2-CD 3.3Å; D208-K222 WeakPolarHBondContact OD2-CD 3.42Å; D208-K222 WeakPolarHBondContact OD2-CE 3.47Å; D208-K222 WeakPolarHBondContact OD2-CG 3.5Å; D208-K222 IonicContact OD2-NZ 3.67Å |
| 209 | L | 98 | Very high | 97.6 | Very high | 40 Ų | 40 | 71 Ų | 71 | 21% | 0.209 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 127.6 | 176 | 174.8 | 69.5 | 0 | 0 | 0 | 108.8 | L161 D207 F211 T220 L221 H224 | L161-L209 HydrophobicContact CB-CD2 3.64Å; L161-L209 HydrophobicContact CD1-CD2 4.12Å; L161-L209 HydrophobicContact CD2-CD2 4.03Å; L161-L209 HydrophobicContact CG-CD2 4.14Å; D207-L209 PolarHBondContact O-N 3.09Å; L209-F211 HydrophobicContact CD2-CD1 4.46Å; L209-F211 HydrophobicContact CG-CD1 4.47Å; L209-T220 CarbonylContact O-C 3.48Å; L209-T220 VanDerWaalsContact O-CA 3.27Å; L209-T220 WeakPolarHBondContact O-CA 3.43Å; L209-L221 HydrophobicContact CB-CB 4.49Å; L209-L221 PolarHBondContact N-O 3.49Å; L209-L221 PolarHBondContact O-N 2.94Å; L209-H224 WeakPolarHBondContact CB-CE1 3.45Å |
| 210 | S | 98 | Very high | 97.8 | Very high | 68 Ų | 68 | 71.1 Ų | 71.1 | 48% | 0.476 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 136 | 172.8 | -57.4 | 0 | 0 | 0 | 0 | 110.6 | H219 T220 | S210-H219 WeakPolarHBondContact CA-O 3.41Å; S210-T220 PolarHBondContact OG-OG1 2.9Å; S210-T220 VanDerWaalsContact OG-OG1 3.07Å |
| 211 | F | 97.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 70.9 Ų | 70.9 | 0% | 0.004 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 162 | -179.3 | 60.8 | -97 | 0 | 0 | 0 | 110.7 | V148 Y155 T157 E159 L209 H219 L221 | V148-F211 HydrophobicContact CG1-CD1 4.19Å; V148-F211 HydrophobicContact CG1-CD2 4.35Å; V148-F211 HydrophobicContact CG1-CE1 3.66Å; V148-F211 HydrophobicContact CG1-CE2 3.88Å; V148-F211 HydrophobicContact CG1-CZ 3.52Å; V148-F211 HydrophobicContact CG2-CD1 4.13Å; V148-F211 HydrophobicContact CG2-CE1 4.35Å; V148-F211 HydrophobicContact CG2-CG 4.38Å; Y155-F211 AromaticContact CD1-CE2 3.88Å; Y155-F211 HydrophobicContact CD1-CE2 3.88Å; Y155-F211 AromaticContact CD1-CZ 3.76Å; Y155-F211 HydrophobicContact CD1-CZ 3.76Å; Y155-F211 HydrophobicContact CD2-CE2 4.38Å; Y155-F211 AromaticContact CD2-CZ 3.64Å; Y155-F211 HydrophobicContact CD2-CZ 3.64Å; Y155-F211 HydrophobicContact CE1-CZ 4.1Å; Y155-F211 HydrophobicContact CE2-CZ 4Å; Y155-F211 AromaticContact CG-CE2 3.8Å; Y155-F211 HydrophobicContact CG-CE2 3.8Å; Y155-F211 AromaticContact CG-CZ 3.51Å; Y155-F211 HydrophobicContact CG-CZ 3.51Å; T157-F211 HydrophobicContact CG2-CD2 3.9Å; T157-F211 HydrophobicContact CG2-CE2 3.99Å; E159-F211 HydrophobicContact CB-CB 3.96Å; E159-F211 HydrophobicContact CG-CB 3.99Å; E159-F211 VanDerWaalsContact OE1-CA 3.32Å; E159-F211 WeakPolarHBondContact OE1-CA 3.48Å; E159-F211 WeakPolarHBondContact OE1-CB 3.5Å; E159-F211 VanDerWaalsContact OE2-CA 3.29Å; E159-F211 WeakPolarHBondContact OE2-CA 3.2Å; E159-F211 WeakPolarHBondContact OE2-CB 3.4Å; L209-F211 HydrophobicContact CD2-CD1 4.46Å; L209-F211 HydrophobicContact CG-CD1 4.47Å; F211-H219 HydrophobicContact CD2-CB 4.29Å; F211-H219 HydrophobicContact CE1-CB 4.24Å; F211-H219 HydrophobicContact CE2-CB 3.77Å; F211-H219 AromaticContact CE2-CD2 3.96Å; F211-H219 HydrophobicContact CZ-CB 3.72Å; F211-H219 PolarHBondContact N-O 3.48Å; F211-H219 PolarHBondContact O-N 2.71Å; F211-L221 HydrophobicContact CE1-CD1 3.74Å; F211-L221 HydrophobicContact CE1-CG 3.76Å |
| 212 | L | 98 | Very high | 97.9 | Very high | 47 Ų | 47 | 70.8 Ų | 70.8 | 25% | 0.246 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 136.7 | 173.4 | -159.5 | 75.3 | 0 | 0 | 0 | 109.9 | T157 E159 V216 V217 Y218 | T157-L212 WeakPolarHBondContact CB-O 3.26Å; T157-L212 PolarHBondContact OG1-O 2.98Å; E159-L212 PolarHBondContact OE1-N 2.96Å; L212-V216 HydrophobicContact CD1-CG1 4.4Å; L212-V216 HydrophobicContact CD2-CB 4.48Å; L212-V216 HydrophobicContact CD2-CG1 3.87Å; L212-V216 HydrophobicContact CG-CG1 4.47Å; L212-V217 WeakPolarHBondContact CA-O 3.49Å; L212-Y218 HydrophobicContact CD1-CD1 3.75Å; L212-Y218 HydrophobicContact CD1-CD2 3.7Å; L212-Y218 HydrophobicContact CD1-CE1 3.76Å; L212-Y218 HydrophobicContact CD1-CE2 3.72Å; L212-Y218 HydrophobicContact CD1-CG 3.72Å |
| 213 | D | 97.2 | Very high | 97.9 | Very high | 25 Ų | 25 | 76.6 Ų | 76.6 | 13% | 0.134 | 39% | 0.393 | C | S | . | . | trans | -87.2 | 175.6 | 172.7 | 70.2 | 12.8 | 0 | 0 | 0 | 112.8 | Q156 D215 V216 V217 H219 | Q156-D213 WeakPolarHBondContact O-CA 3.4Å; Q156-D213 VanDerWaalsContact O-CB 3.3Å; Q156-D213 WeakPolarHBondContact O-CB 3.44Å; D213-D215 PolarHBondContact O-N 3.07Å; D213-D215 VanDerWaalsContact OD1-C 3.3Å; D213-D215 WeakPolarHBondContact OD1-CA 2.96Å; D213-D215 PolarHBondContact OD1-N 2.84Å; D213-D215 VanDerWaalsContact OD1-N 3.07Å; D213-V216 PolarHBondContact O-N 2.87Å; D213-V216 PolarHBondContact OD1-N 3.11Å; D213-V216 VanDerWaalsContact OD1-N 3.07Å; D213-V217 PolarHBondContact N-O 3.2Å; D213-V217 WeakPolarHBondContact OD1-CA 3.44Å; D213-V217 WeakPolarHBondContact OD1-CB 3.01Å; D213-V217 PolarHBondContact OD1-N 3.38Å; D213-H219 IonicContact OD2-CD2 3.52Å; D213-H219 IonicContact OD2-CE1 3.82Å; D213-H219 IonicContact OD2-NE2 2.73Å; D213-H219 PolarHBondContact OD2-NE2 2.62Å | ||
| 214 | D | 97.4 | Very high | 97.9 | Very high | 90 Ų | 90 | 73.7 Ų | 73.7 | 48% | 0.481 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -22 | 179.3 | -70.9 | -27.5 | 0 | 0 | 0 | 112.6 | Q156 V216 | Q156-D214 PolarHBondContact O-N 2.77Å; D214-V216 VanDerWaalsContact C-N 3.27Å |
| 215 | D | 96.6 | Very high | 97.9 | Very high | 132 Ų | 132 | 72.8 Ų | 72.8 | 71% | 0.706 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | 8.6 | 174.8 | -67.1 | -41.1 | 0 | 0 | 0 | 112.8 | D213 V217 | D213-D215 PolarHBondContact O-N 3.07Å; D213-D215 VanDerWaalsContact OD1-C 3.3Å; D213-D215 WeakPolarHBondContact OD1-CA 2.96Å; D213-D215 PolarHBondContact OD1-N 2.84Å; D213-D215 VanDerWaalsContact OD1-N 3.07Å; D215-V217 VanDerWaalsContact C-N 3.26Å; D215-V217 HydrophobicContact CB-CG2 4.29Å; D215-V217 PolarHBondContact O-N 3.35Å |
| 216 | V | 96.1 | Very high | 97.9 | Very high | 109 Ų | 109 | 69.6 Ų | 69.6 | 66% | 0.661 | 36% | 0.357 | S | S | * | . | S | Bend | trans | 63.9 | 31.5 | 178.2 | -159.5 | 0 | 0 | 0 | 0 | 112 | L212 D213 D214 | L212-V216 HydrophobicContact CD1-CG1 4.4Å; L212-V216 HydrophobicContact CD2-CB 4.48Å; L212-V216 HydrophobicContact CD2-CG1 3.87Å; L212-V216 HydrophobicContact CG-CG1 4.47Å; D213-V216 PolarHBondContact O-N 2.87Å; D213-V216 PolarHBondContact OD1-N 3.11Å; D213-V216 VanDerWaalsContact OD1-N 3.07Å; D214-V216 VanDerWaalsContact C-N 3.27Å |
| 217 | V | 97.9 | Very high | 97.9 | Very high | 70 Ų | 70 | 74.4 Ų | 74.4 | 42% | 0.424 | 37% | 0.373 | S | S | . | . | trans | -103 | 132.7 | 175.6 | -176.1 | 0 | 0 | 0 | 0 | 109.9 | L212 D213 D215 H219 | L212-V217 WeakPolarHBondContact CA-O 3.49Å; D213-V217 PolarHBondContact N-O 3.2Å; D213-V217 WeakPolarHBondContact OD1-CA 3.44Å; D213-V217 WeakPolarHBondContact OD1-CB 3.01Å; D213-V217 PolarHBondContact OD1-N 3.38Å; D215-V217 VanDerWaalsContact C-N 3.26Å; D215-V217 HydrophobicContact CB-CG2 4.29Å; D215-V217 PolarHBondContact O-N 3.35Å; V217-H219 PolarHBondContact O-CD2 3.42Å; V217-H219 VanDerWaalsContact O-CD2 3.3Å | ||
| 218 | Y | 97.8 | Very high | 97.9 | Very high | 181 Ų | 181 | 74.4 Ų | 74.4 | 71% | 0.71 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80 | 134.1 | 176.4 | -77.6 | -77.4 | 0 | 0 | 0 | 111.5 | L212 | L212-Y218 HydrophobicContact CD1-CD1 3.75Å; L212-Y218 HydrophobicContact CD1-CD2 3.7Å; L212-Y218 HydrophobicContact CD1-CE1 3.76Å; L212-Y218 HydrophobicContact CD1-CE2 3.72Å; L212-Y218 HydrophobicContact CD1-CG 3.72Å |
| 219 | H | 98.1 | Very high | 97.9 | Very high | 45 Ų | 45 | 72 Ų | 72 | 21% | 0.208 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 154.6 | 173.7 | -61.7 | -78.4 | 0 | 0 | 0 | 110.7 | Y155 S210 F211 D213 V217 | Y155-H219 HydrophobicContact CD1-CB 4.49Å; Y155-H219 AromaticContact CD1-CG 3.97Å; Y155-H219 HydrophobicContact CE1-CB 4.04Å; Y155-H219 AromaticContact CE1-CG 3.63Å; Y155-H219 AromaticContact CE1-ND1 3.54Å; S210-H219 WeakPolarHBondContact CA-O 3.41Å; F211-H219 HydrophobicContact CD2-CB 4.29Å; F211-H219 HydrophobicContact CE1-CB 4.24Å; F211-H219 HydrophobicContact CE2-CB 3.77Å; F211-H219 AromaticContact CE2-CD2 3.96Å; F211-H219 HydrophobicContact CZ-CB 3.72Å; F211-H219 PolarHBondContact N-O 3.48Å; F211-H219 PolarHBondContact O-N 2.71Å; D213-H219 IonicContact OD2-CD2 3.52Å; D213-H219 IonicContact OD2-CE1 3.82Å; D213-H219 IonicContact OD2-NE2 2.73Å; D213-H219 PolarHBondContact OD2-NE2 2.62Å; V217-H219 PolarHBondContact O-CD2 3.42Å; V217-H219 VanDerWaalsContact O-CD2 3.3Å |
| 220 | T | 98.3 | Very high | 97.8 | Very high | 67 Ų | 67 | 71.4 Ų | 71.4 | 41% | 0.411 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 120.5 | 177.1 | -55.8 | 0 | 0 | 0 | 0 | 111 | D208 L209 S210 K222 | D208-T220 HydrophobicContact CB-CG2 3.77Å; L209-T220 CarbonylContact O-C 3.48Å; L209-T220 VanDerWaalsContact O-CA 3.27Å; L209-T220 WeakPolarHBondContact O-CA 3.43Å; S210-T220 PolarHBondContact OG-OG1 2.9Å; S210-T220 VanDerWaalsContact OG-OG1 3.07Å; T220-K222 HydrophobicContact CG2-CG 4.39Å |
| 221 | L | 98.1 | Very high | 97.7 | Very high | 13 Ų | 13 | 70 Ų | 70 | 7% | 0.068 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 119.8 | 175 | -63.8 | 179.8 | 0 | 0 | 0 | 111.2 | L151 L153 Y155 D208 L209 F211 H224 | L151-L221 HydrophobicContact CD1-CD1 3.81Å; L153-L221 HydrophobicContact CD1-CD1 4.2Å; L153-L221 HydrophobicContact CD1-CD2 3.94Å; Y155-L221 HydrophobicContact CE2-CD2 3.8Å; D208-L221 WeakPolarHBondContact CA-O 3.32Å; L209-L221 HydrophobicContact CB-CB 4.49Å; L209-L221 PolarHBondContact N-O 3.49Å; L209-L221 PolarHBondContact O-N 2.94Å; F211-L221 HydrophobicContact CE1-CD1 3.74Å; F211-L221 HydrophobicContact CE1-CG 3.76Å; L221-H224 HydrophobicContact CB-CB 3.93Å; L221-H224 PolarHBondContact O-ND1 3.35Å |
| 222 | K | 98.3 | Very high | 97.5 | Very high | 142 Ų | 142 | 75.4 Ų | 75.4 | 62% | 0.617 | 38% | 0.38 | S | S | * | . | trans | -105.7 | 147.5 | 178 | -48.9 | -159.8 | 175.3 | -171.3 | 0 | 111.1 | D208 T220 H224 | D208-K222 WeakPolarHBondContact OD1-CA 3.49Å; D208-K222 WeakPolarHBondContact OD1-CB 3.43Å; D208-K222 WeakPolarHBondContact OD1-CG 3.22Å; D208-K222 VanDerWaalsContact OD2-CD 3.3Å; D208-K222 WeakPolarHBondContact OD2-CD 3.42Å; D208-K222 WeakPolarHBondContact OD2-CE 3.47Å; D208-K222 WeakPolarHBondContact OD2-CG 3.5Å; D208-K222 IonicContact OD2-NZ 3.67Å; T220-K222 HydrophobicContact CG2-CG 4.39Å; K222-H224 PolarHBondContact O-N 2.85Å | ||
| 223 | K | 98.3 | Very high | 97.5 | Very high | 153 Ų | 153 | 76.9 Ų | 76.9 | 67% | 0.665 | 39% | 0.387 | S | S | * | . | S | Bend | trans | 49.5 | 33 | 179.5 | -59.2 | -177 | -179.4 | 178.8 | 0 | 113.2 | F205 | F205-K223 HydrophobicContact CB-CB 4.38Å; F205-K223 HydrophobicContact CB-CG 4.44Å; F205-K223 HydrophobicContact CD1-CB 3.84Å; F205-K223 WeakPolarHBondContact CD1-O 3.29Å; F205-K223 HydrophobicContact CD2-CB 4.12Å; F205-K223 HydrophobicContact CD2-CD 4.26Å; F205-K223 HydrophobicContact CD2-CG 3.97Å; F205-K223 HydrophobicContact CE1-CB 4.13Å; F205-K223 HydrophobicContact CE2-CB 4.41Å; F205-K223 HydrophobicContact CE2-CD 4.27Å; F205-K223 HydrophobicContact CE2-CG 4.4Å; F205-K223 HydrophobicContact CG-CB 3.84Å; F205-K223 HydrophobicContact CG-CG 4.06Å; F205-K223 HydrophobicContact CZ-CB 4.41Å |
| 224 | H | 98.1 | Very high | 97.5 | Very high | 39 Ų | 39 | 79.6 Ų | 79.6 | 18% | 0.181 | 40% | 0.4 | C | S | . | . | trans | -87 | -33.8 | -172.4 | 67.3 | -83.4 | 0 | 0 | 0 | 111.7 | F163 D207 L209 L221 K222 | F163-H224 WeakPolarHBondContact CE2-O 3.3Å; D207-H224 PolarHBondContact O-CE1 3.48Å; L209-H224 WeakPolarHBondContact CB-CE1 3.45Å; L221-H224 HydrophobicContact CB-CB 3.93Å; L221-H224 PolarHBondContact O-ND1 3.35Å; K222-H224 PolarHBondContact O-N 2.85Å | ||
| 225 | S | 98.4 | Very high | 97.5 | Very high | 1 Ų | 1 | 79 Ų | 79 | 1% | 0.007 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -120.8 | 145.4 | -178.7 | 175.8 | 0 | 0 | 0 | 0 | 111.4 | R164 F205 D206 | R164-S225 WeakPolarHBondContact CB-OG 3.37Å; R164-S225 PolarHBondContact N-OG 3.48Å; F205-S225 CarbonylContact C-O 3.49Å; F205-S225 VanDerWaalsContact CA-O 3.25Å; F205-S225 WeakPolarHBondContact CA-O 3.33Å; F205-S225 WeakPolarHBondContact CB-O 3.34Å; D206-S225 PolarHBondContact N-O 3.1Å; D206-S225 PolarHBondContact OD2-OG 2.89Å |
| 226 | A | 98.7 | Very high | 97.6 | Very high | 5 Ų | 5 | 75.9 Ų | 75.9 | 4% | 0.041 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 136.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L141 R164 P202 | L141-A226 HydrophobicContact CD1-CB 3.72Å; L141-A226 WeakPolarHBondContact CD1-O 3.49Å; R164-A226 WeakPolarHBondContact CB-O 3.36Å; R164-A226 WeakPolarHBondContact O-CB 3.37Å; R164-A226 PolarHBondContact O-N 2.85Å; P202-A226 HydrophobicContact CB-CB 3.83Å |
| 227 | R | 98.3 | Very high | 97.7 | Very high | 126 Ų | 126 | 73.8 Ų | 73.8 | 48% | 0.475 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | -33.4 | 173.3 | -170.1 | 169 | 65.5 | -174.2 | -1.9 | 113.3 | A204 F205 D206 D207 | A204-R227 HydrophobicContact CB-CB 4.25Å; A204-R227 PolarHBondContact O-N 2.97Å; F205-R227 VanDerWaalsContact C-CB 3.45Å; F205-R227 WeakPolarHBondContact O-CB 3.41Å; F205-R227 PolarHBondContact O-NE 3.34Å; D206-R227 VanDerWaalsContact OD1-CB 3.25Å; D206-R227 WeakPolarHBondContact OD1-CB 3.37Å; D206-R227 WeakPolarHBondContact OD1-CG 3.44Å; D207-R227 IonicContact OD1-NH1 4Å |
| 228 | K | 98.1 | Very high | 97.7 | Very high | 129 Ų | 129 | 74.1 Ų | 74.1 | 56% | 0.561 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 141.7 | 178.6 | -65.3 | -174.7 | 179.1 | -178.3 | 0 | 110.1 | P202 I203 A204 | P202-K228 WeakPolarHBondContact CA-O 3.45Å; I203-K228 HydrophobicContact CD1-CB 4.19Å; I203-K228 HydrophobicContact CG1-CB 3.81Å; I203-K228 WeakPolarHBondContact CG1-O 3.27Å; I203-K228 PolarHBondContact N-O 2.63Å; A204-K228 HydrophobicContact CB-CB 3.98Å; A204-K228 HydrophobicContact CB-CD 4.44Å; A204-K228 HydrophobicContact CB-CG 4.22Å; A204-K228 PolarHBondContact N-O 2.7Å; A204-K228 PolarHBondContact O-N 2.86Å |
| 229 | C | 98 | Very high | 97.7 | Very high | 28 Ų | 28 | 66.4 Ų | 66.4 | 19% | 0.189 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 145.8 | -179.9 | -57.8 | 0 | 0 | 0 | 0 | 110.9 | L141 C166 R201 | L141-C229 WeakPolarHBondContact CD1-SG 3.49Å; C166-C229 WeakPolarHBondContact CA-SG 3.35Å; C166-C229 HydrophobicContact CB-CB 3.7Å; C166-C229 WeakPolarHBondContact CB-SG 3.5Å; C166-C229 WeakPolarHBondContact SG-CA 3.46Å; C166-C229 WeakPolarHBondContact SG-CB 3.5Å; C166-C229 CovalentContact SG-SG 2.03Å; C166-C229 PolarHBondContact SG-SG 2.03Å; R201-C229 WeakPolarHBondContact O-CA 3.33Å |
| 230 | A | 96.5 | Very high | 97.6 | Very high | 29 Ų | 29 | 68.1 Ų | 68.1 | 24% | 0.24 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 166.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | C139 R201 I203 V232 | C139-A230 VanDerWaalsContact SG-C 3.54Å; C139-A230 PolarHBondContact SG-O 3.1Å; R201-A230 PolarHBondContact N-O 3.24Å; R201-A230 PolarHBondContact O-N 3.45Å; I203-A230 HydrophobicContact CD1-CB 3.87Å; I203-A230 HydrophobicContact CG1-CB 4.17Å; I203-A230 HydrophobicContact CG2-CB 3.71Å; A230-V232 HydrophobicContact CB-CG1 4.47Å |
| 231 | C | 96.1 | Very high | 97.6 | Very high | 39 Ų | 39 | 68.2 Ų | 68.2 | 26% | 0.264 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 120.9 | 169 | -64.6 | 0 | 0 | 0 | 0 | 109 | C139 C170 A173 T198 C199 | C139-C231 VanDerWaalsContact CB-SG 3.57Å; C170-C231 WeakPolarHBondContact CA-SG 3.48Å; C170-C231 HydrophobicContact CB-CB 3.7Å; C170-C231 WeakPolarHBondContact CB-SG 3.39Å; C170-C231 WeakPolarHBondContact SG-CA 3.23Å; C170-C231 WeakPolarHBondContact SG-CB 3.32Å; C170-C231 CovalentContact SG-SG 2.03Å; C170-C231 PolarHBondContact SG-SG 3.47Å; A173-C231 HydrophobicContact CB-CB 3.43Å; A173-C231 VanDerWaalsContact CB-CB 3.43Å; T198-C231 HydrophobicContact CG2-CB 3.6Å; C199-C231 WeakPolarHBondContact O-CA 3.32Å |
| 232 | V | 94.3 | Very high | 97.5 | Very high | 114 Ų | 114 | 73.2 Ų | 73.2 | 69% | 0.691 | 36% | 0.357 | S | S | * | . | trans | -138.8 | 0 | -178.1 | -57.5 | 0 | 0 | 0 | 0 | 111.6 | T198 C199 R201 I203 A230 | T198-V232 CarbonylContact C-O 3.54Å; T198-V232 WeakPolarHBondContact CA-O 3.47Å; C199-V232 PolarHBondContact N-O 3.31Å; C199-V232 PolarHBondContact O-N 3.25Å; C199-V232 VanDerWaalsContact O-N 3.09Å; R201-V232 HydrophobicContact CB-CG2 3.66Å; R201-V232 HydrophobicContact CG-CG2 3.93Å; I203-V232 HydrophobicContact CG2-CG1 3.92Å; A230-V232 HydrophobicContact CB-CG1 4.47Å |
Retrieved 232 of 232 residues in 81.4 ms
(Link to these results)