| 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 | 34.2 | Very low | 45.1 | Very low | 241 Ų | 241 | 136.8 Ų | 136.8 | 100% | 1.187 | 81% | 0.805 | S | S | * | * | 0 | 148.3 | 0 | -52.6 | -166.3 | 94.4 | 0 | 0 | 107.8 | |||||
| 2 | P | 45 | Very low | 45.4 | Very low | 111 Ų | 111 | 133.9 Ų | 133.9 | 72% | 0.721 | 79% | 0.79 | S | S | * | * | cis | -127.1 | 178.8 | -25.3 | 34.6 | -15.3 | 0 | 0 | 0 | 113.1 | ||||
| 3 | T | 44.7 | Very low | 45.6 | Very low | 131 Ų | 131 | 134.9 Ų | 134.9 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | 78.6 | 97.6 | 145.7 | 41.3 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 4 | V | 39.1 | Very low | 45.9 | Very low | 127 Ų | 127 | 137.4 Ų | 137.4 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | trans | -45.2 | 137.4 | 148.3 | -176.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 5 | K | 50.1 | Low | 45.9 | Very low | 207 Ų | 207 | 134.7 Ų | 134.7 | 90% | 0.9 | 77% | 0.77 | S | S | * | * | trans | -117 | 107.5 | 157.8 | -81.6 | -174.3 | 176.6 | -179.2 | 0 | 109.7 | ||||
| 6 | T | 40.3 | Very low | 45.9 | Very low | 116 Ų | 116 | 135 Ų | 135 | 71% | 0.712 | 77% | 0.765 | S | S | * | * | trans | -73.2 | 120.7 | 168.8 | -45.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 7 | G | 44.4 | Very low | 45.9 | Very low | 66 Ų | 66 | 136.4 Ų | 136.4 | 68% | 0.68 | 76% | 0.76 | S | S | * | * | trans | -106.8 | 112.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | N9 | G7-N9 PolarHBondContact O-N 3.49Š| ||
| 8 | N | 47 | Very low | 46 | Very low | 139 Ų | 139 | 132.1 Ų | 132.1 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | trans | -81.4 | 106.1 | -173.5 | -51.1 | -27.6 | 0 | 0 | 0 | 110.1 | ||||
| 9 | N | 52 | Low | 45.9 | Very low | 151 Ų | 151 | 133 Ų | 133 | 81% | 0.807 | 74% | 0.736 | S | S | * | * | trans | -99.4 | 81.5 | 170.2 | -70.3 | -5.6 | 0 | 0 | 0 | 109.4 | G7 T11 | G7-N9 PolarHBondContact O-N 3.49Å; N9-T11 VanDerWaalsContact C-N 3.32Å; N9-T11 PolarHBondContact O-N 3.25Å | ||
| 10 | A | 45 | Very low | 45.8 | Very low | 95 Ų | 95 | 131.4 Ų | 131.4 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | trans | -71.7 | 88.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109 | T12 | A10-T12 PolarHBondContact O-N 3.04Å; A10-T12 VanDerWaalsContact O-N 3.13Å | ||
| 11 | T | 54.2 | Low | 45.8 | Very low | 121 Ų | 121 | 129.3 Ų | 129.3 | 74% | 0.742 | 72% | 0.721 | S | S | * | * | trans | -72.7 | 102.9 | 173 | -24.2 | 0 | 0 | 0 | 0 | 108.5 | N9 L13 | N9-T11 VanDerWaalsContact C-N 3.32Å; N9-T11 PolarHBondContact O-N 3.25Å; T11-L13 PolarHBondContact O-N 3.19Å | ||
| 12 | T | 48.4 | Very low | 46.3 | Very low | 102 Ų | 102 | 120.8 Ų | 120.8 | 63% | 0.626 | 69% | 0.685 | S | S | * | * | trans | -53.8 | 121.9 | 177.7 | 17.1 | 0 | 0 | 0 | 0 | 111.6 | A10 H14 D15 | A10-T12 PolarHBondContact O-N 3.04Å; A10-T12 VanDerWaalsContact O-N 3.13Å; T12-H14 PolarHBondContact O-N 3.29Å; T12-D15 PolarHBondContact O-N 3.12Å | ||
| 13 | L | 48.8 | Very low | 46.4 | Very low | 147 Ų | 147 | 121 Ų | 121 | 77% | 0.77 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | 2.1 | -177.1 | -151.9 | 126.6 | 0 | 0 | 0 | 114.6 | T11 | T11-L13 PolarHBondContact O-N 3.19Š|
| 14 | H | 49.2 | Very low | 46.7 | Very low | 169 Ų | 169 | 122.8 Ų | 122.8 | 78% | 0.782 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -21.8 | 177.8 | -130.8 | -96 | 0 | 0 | 0 | 113.3 | T12 | T12-H14 PolarHBondContact O-N 3.29Š|
| 15 | D | 46.3 | Very low | 47.2 | Very low | 97 Ų | 97 | 121 Ų | 121 | 52% | 0.519 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -84 | -17.5 | -176 | -125 | -41.3 | 0 | 0 | 0 | 113.8 | T12 S18 | T12-D15 PolarHBondContact O-N 3.12Å; D15-S18 PolarHBondContact O-OG 3.36Å |
| 16 | M | 45.6 | Very low | 47.2 | Very low | 140 Ų | 140 | 115.1 Ų | 115.1 | 69% | 0.69 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -80.2 | -25.3 | 177.3 | -68.6 | -171 | 160.6 | 0 | 0 | 112.6 | V20 | M16-V20 VanDerWaalsContact O-CG2 3.22Å; M16-V20 WeakPolarHBondContact O-CG2 3.06Å; M16-V20 PolarHBondContact O-N 3.49Å |
| 17 | K | 46 | Very low | 47.8 | Very low | 158 Ų | 158 | 117.7 Ų | 117.7 | 69% | 0.687 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -79.6 | -22.6 | 179.4 | -93.9 | 166.1 | 170.8 | 174.2 | 0 | 113.8 | T21 | K17-T21 WeakPolarHBondContact O-CG2 3.49Å; K17-T21 PolarHBondContact O-N 3.45Å; K17-T21 PolarHBondContact O-OG1 3.21Å |
| 18 | S | 47.6 | Very low | 47.8 | Very low | 59 Ų | 59 | 118 Ų | 118 | 41% | 0.413 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -76.6 | -38.9 | 174.4 | 61.8 | 0 | 0 | 0 | 0 | 112 | D15 T21 S22 | D15-S18 PolarHBondContact O-OG 3.36Å; S18-T21 PolarHBondContact O-OG1 3.11Å; S18-S22 PolarHBondContact O-N 2.82Å; S18-S22 VanDerWaalsContact O-N 3.16Å |
| 19 | K | 44.2 | Very low | 47.9 | Very low | 150 Ų | 150 | 118.8 Ų | 118.8 | 65% | 0.652 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -70.1 | -34.2 | 176.3 | -80.6 | 176.6 | 176.1 | 176.7 | 0 | 113.4 | N23 | K19-N23 PolarHBondContact O-N 3.26Å |
| 20 | V | 44.2 | Very low | 47.9 | Very low | 101 Ų | 101 | 116.5 Ų | 116.5 | 61% | 0.612 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -73 | -30.2 | 178.7 | 174.9 | 0 | 0 | 0 | 0 | 112.1 | M16 | M16-V20 VanDerWaalsContact O-CG2 3.22Å; M16-V20 WeakPolarHBondContact O-CG2 3.06Å; M16-V20 PolarHBondContact O-N 3.49Å |
| 21 | T | 45 | Very low | 48.4 | Very low | 87 Ų | 87 | 118.2 Ų | 118.2 | 53% | 0.534 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -79 | -40.1 | 176.6 | 49.4 | 0 | 0 | 0 | 0 | 112.3 | K17 S18 N23 K24 V25 | K17-T21 WeakPolarHBondContact O-CG2 3.49Å; K17-T21 PolarHBondContact O-N 3.45Å; K17-T21 PolarHBondContact O-OG1 3.21Å; S18-T21 PolarHBondContact O-OG1 3.11Å; T21-N23 PolarHBondContact O-N 3.09Å; T21-K24 PolarHBondContact O-N 3.16Å; T21-V25 WeakPolarHBondContact O-CG2 3.32Å; T21-V25 PolarHBondContact O-N 3.47Å |
| 22 | S | 46.2 | Very low | 48.3 | Very low | 63 Ų | 63 | 118.5 Ų | 118.5 | 44% | 0.441 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -57.8 | -44.3 | 173.7 | 173.1 | 0 | 0 | 0 | 0 | 112.8 | S18 K24 V25 N26 | S18-S22 PolarHBondContact O-N 2.82Å; S18-S22 VanDerWaalsContact O-N 3.16Å; S22-K24 VanDerWaalsContact C-N 3.29Å; S22-K24 PolarHBondContact O-N 3.31Å; S22-V25 PolarHBondContact O-N 3.12Å; S22-N26 PolarHBondContact O-N 3.22Å; S22-N26 PolarHBondContact O-ND2 3.39Å |
| 23 | N | 47.1 | Very low | 48.5 | Very low | 115 Ų | 115 | 117.5 Ų | 117.5 | 62% | 0.615 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67.7 | -26.1 | 178.2 | -82.6 | -24.4 | 0 | 0 | 0 | 113.8 | K19 T21 K27 | K19-N23 PolarHBondContact O-N 3.26Å; T21-N23 PolarHBondContact O-N 3.09Å; N23-K27 PolarHBondContact O-N 3.09Å |
| 24 | K | 49.8 | Very low | 48.6 | Very low | 168 Ų | 168 | 118.2 Ų | 118.2 | 73% | 0.73 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -79.6 | -33.4 | 178.8 | -159.2 | 167.3 | -176.3 | 174.7 | 0 | 112.2 | T21 S22 C28 | T21-K24 PolarHBondContact O-N 3.16Å; S22-K24 VanDerWaalsContact C-N 3.29Å; S22-K24 PolarHBondContact O-N 3.31Å; K24-C28 PolarHBondContact O-N 3.47Å |
| 25 | V | 50.9 | Low | 48.5 | Very low | 90 Ų | 90 | 113.6 Ų | 113.6 | 55% | 0.545 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -71.9 | -42 | 176.3 | 178.5 | 0 | 0 | 0 | 0 | 111.3 | T21 S22 K27 C28 R29 | T21-V25 WeakPolarHBondContact O-CG2 3.32Å; T21-V25 PolarHBondContact O-N 3.47Å; S22-V25 PolarHBondContact O-N 3.12Å; V25-K27 VanDerWaalsContact C-N 3.28Å; V25-K27 PolarHBondContact O-N 2.83Å; V25-C28 PolarHBondContact O-N 3.15Å; V25-C28 VanDerWaalsContact O-N 3.12Å; V25-R29 PolarHBondContact O-N 3.29Å; V25-R29 VanDerWaalsContact O-N 3.1Å |
| 26 | N | 49.9 | Very low | 48.6 | Very low | 84 Ų | 84 | 111.7 Ų | 111.7 | 45% | 0.449 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.1 | -34.5 | 175.5 | -71.1 | -25.6 | 0 | 0 | 0 | 112.7 | S22 C28 L30 | S22-N26 PolarHBondContact O-N 3.22Å; S22-N26 PolarHBondContact O-ND2 3.39Å; N26-C28 VanDerWaalsContact C-N 3.35Å; N26-L30 PolarHBondContact O-N 2.92Å; N26-L30 VanDerWaalsContact O-N 3.09Å |
| 27 | K | 52 | Low | 48.7 | Very low | 169 Ų | 169 | 108.8 Ų | 108.8 | 74% | 0.735 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -70.3 | -29.3 | 176.3 | -158.9 | 169.6 | -173 | 172.3 | 0 | 112.8 | N23 V25 K31 | N23-K27 PolarHBondContact O-N 3.09Å; V25-K27 VanDerWaalsContact C-N 3.28Å; V25-K27 PolarHBondContact O-N 2.83Å; K27-K31 PolarHBondContact O-N 2.85Å |
| 28 | C | 44.9 | Very low | 48.6 | Very low | 74 Ų | 74 | 108.7 Ų | 108.7 | 50% | 0.5 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -75.6 | -42 | 176 | -152 | 0 | 0 | 0 | 0 | 111.5 | K24 V25 N26 K31 Q32 | K24-C28 PolarHBondContact O-N 3.47Å; V25-C28 PolarHBondContact O-N 3.15Å; V25-C28 VanDerWaalsContact O-N 3.12Å; N26-C28 VanDerWaalsContact C-N 3.35Å; C28-K31 PolarHBondContact O-N 3.35Å; C28-Q32 PolarHBondContact O-N 3.41Å; C28-Q32 VanDerWaalsContact O-N 3.08Å |
| 29 | R | 47.9 | Very low | 48.4 | Very low | 154 Ų | 154 | 115 Ų | 115 | 58% | 0.581 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.6 | -42.5 | 176.9 | -167.6 | 168.5 | 173.1 | 159.7 | -2.8 | 112.3 | V25 K31 Q32 I33 | V25-R29 PolarHBondContact O-N 3.29Å; V25-R29 VanDerWaalsContact O-N 3.1Å; R29-K31 VanDerWaalsContact C-N 3.27Å; R29-K31 PolarHBondContact O-N 3.14Å; R29-Q32 PolarHBondContact O-N 3.27Å; R29-I33 HydrophobicContact CG-CD1 4.24Å; R29-I33 WeakPolarHBondContact O-CD1 3.48Å; R29-I33 VanDerWaalsContact O-CG1 3.28Å; R29-I33 WeakPolarHBondContact O-CG1 3.2Å; R29-I33 PolarHBondContact O-N 2.86Å; R29-I33 VanDerWaalsContact O-N 3.11Å |
| 30 | L | 53.3 | Low | 48.3 | Very low | 103 Ų | 103 | 114 Ų | 114 | 54% | 0.539 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.2 | -29.8 | 173.2 | -106.7 | 78.1 | 0 | 0 | 0 | 113.3 | N26 R34 | N26-L30 PolarHBondContact O-N 2.92Å; N26-L30 VanDerWaalsContact O-N 3.09Å; L30-R34 WeakPolarHBondContact O-CB 3.48Å; L30-R34 PolarHBondContact O-N 3.13Å |
| 31 | K | 55.3 | Low | 48.1 | Very low | 131 Ų | 131 | 114.9 Ų | 114.9 | 57% | 0.57 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -76 | -41.7 | 179.2 | -152.6 | -178.7 | -179.1 | -162.9 | 0 | 111.1 | K27 C28 R29 I33 R34 D35 | K27-K31 PolarHBondContact O-N 2.85Å; C28-K31 PolarHBondContact O-N 3.35Å; R29-K31 VanDerWaalsContact C-N 3.27Å; R29-K31 PolarHBondContact O-N 3.14Å; K31-I33 PolarHBondContact O-N 3.41Å; K31-R34 PolarHBondContact O-N 3.47Å; K31-D35 WeakPolarHBondContact O-CB 3.42Å; K31-D35 VanDerWaalsContact O-CG 3.24Å; K31-D35 PolarHBondContact O-N 2.97Å |
| 32 | Q | 52.6 | Low | 47.7 | Very low | 128 Ų | 128 | 117 Ų | 117 | 60% | 0.598 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -63.8 | -37.9 | 174.7 | -72.8 | -179.3 | -12.1 | 0 | 0 | 113.1 | C28 R29 D35 S36 | C28-Q32 PolarHBondContact O-N 3.41Å; C28-Q32 VanDerWaalsContact O-N 3.08Å; R29-Q32 PolarHBondContact O-N 3.27Å; Q32-D35 PolarHBondContact O-N 3.32Å; Q32-S36 WeakPolarHBondContact O-CB 3.48Å; Q32-S36 PolarHBondContact O-N 3.13Å; Q32-S36 PolarHBondContact O-OG 3.47Å |
| 33 | I | 52 | Low | 47.1 | Very low | 80 Ų | 80 | 121.5 Ų | 121.5 | 41% | 0.41 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.8 | -42.4 | 173.9 | -64.9 | 163.9 | 0 | 0 | 0 | 110.5 | R29 K31 D35 S36 N37 | R29-I33 HydrophobicContact CG-CD1 4.24Å; R29-I33 WeakPolarHBondContact O-CD1 3.48Å; R29-I33 VanDerWaalsContact O-CG1 3.28Å; R29-I33 WeakPolarHBondContact O-CG1 3.2Å; R29-I33 PolarHBondContact O-N 2.86Å; R29-I33 VanDerWaalsContact O-N 3.11Å; K31-I33 PolarHBondContact O-N 3.41Å; I33-D35 PolarHBondContact O-N 2.89Å; I33-S36 PolarHBondContact O-N 3.23Å; I33-N37 WeakPolarHBondContact O-CB 3.13Å; I33-N37 PolarHBondContact O-N 3.32Å; I33-N37 PolarHBondContact O-ND2 2.93Å |
| 34 | R | 50.6 | Low | 46.5 | Very low | 163 Ų | 163 | 122.9 Ų | 122.9 | 62% | 0.615 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -67.2 | -36.1 | 178.4 | -151.3 | -177.2 | -75.8 | 125.4 | -9 | 112.2 | L30 K31 K38 | L30-R34 WeakPolarHBondContact O-CB 3.48Å; L30-R34 PolarHBondContact O-N 3.13Å; K31-R34 PolarHBondContact O-N 3.47Å; R34-K38 WeakPolarHBondContact O-CB 3.24Å; R34-K38 PolarHBondContact O-N 3.16Å |
| 35 | D | 48.2 | Very low | 45.5 | Very low | 71 Ų | 71 | 124.8 Ų | 124.8 | 38% | 0.38 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -76 | -23 | 177 | -68 | -30.4 | 0 | 0 | 0 | 113.4 | K31 Q32 I33 R39 | K31-D35 WeakPolarHBondContact O-CB 3.42Å; K31-D35 VanDerWaalsContact O-CG 3.24Å; K31-D35 PolarHBondContact O-N 2.97Å; Q32-D35 PolarHBondContact O-N 3.32Å; I33-D35 PolarHBondContact O-N 2.89Å; D35-R39 PolarHBondContact O-NE 2.85Å |
| 36 | S | 47.9 | Very low | 44.7 | Very low | 58 Ų | 58 | 123 Ų | 123 | 41% | 0.406 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -79.6 | -44.7 | 171.9 | -56.8 | 0 | 0 | 0 | 0 | 110.8 | Q32 I33 K38 R39 E40 | Q32-S36 WeakPolarHBondContact O-CB 3.48Å; Q32-S36 PolarHBondContact O-N 3.13Å; Q32-S36 PolarHBondContact O-OG 3.47Å; I33-S36 PolarHBondContact O-N 3.23Å; S36-K38 VanDerWaalsContact C-N 3.28Å; S36-K38 PolarHBondContact O-N 2.81Å; S36-R39 PolarHBondContact O-N 2.82Å; S36-E40 PolarHBondContact O-N 3.25Å |
| 37 | N | 47.3 | Very low | 43.7 | Very low | 79 Ų | 79 | 126.5 Ų | 126.5 | 42% | 0.422 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -62 | -32.4 | 172.6 | -75.9 | -24.3 | 0 | 0 | 0 | 112.6 | I33 R39 E40 V41 | I33-N37 WeakPolarHBondContact O-CB 3.13Å; I33-N37 PolarHBondContact O-N 3.32Å; I33-N37 PolarHBondContact O-ND2 2.93Å; N37-R39 VanDerWaalsContact C-N 3.26Å; N37-R39 PolarHBondContact O-N 3.24Å; N37-E40 PolarHBondContact O-N 2.83Å; N37-V41 WeakPolarHBondContact O-CB 3.27Å; N37-V41 WeakPolarHBondContact O-CG2 3.36Å; N37-V41 PolarHBondContact O-N 2.91Å |
| 38 | K | 44.5 | Very low | 42.9 | Very low | 156 Ų | 156 | 126.1 Ų | 126.1 | 68% | 0.678 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -68.9 | -22.7 | 174.2 | -164.4 | 175.6 | -177.2 | -174.7 | 0 | 113.3 | R34 S36 | R34-K38 WeakPolarHBondContact O-CB 3.24Å; R34-K38 PolarHBondContact O-N 3.16Å; S36-K38 VanDerWaalsContact C-N 3.28Å; S36-K38 PolarHBondContact O-N 2.81Å |
| 39 | R | 42.6 | Very low | 42.3 | Very low | 192 Ų | 192 | 131.8 Ų | 131.8 | 73% | 0.725 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -87.4 | -29.5 | 174.3 | -79.7 | -178.8 | -105.7 | -176.3 | -8.4 | 112.6 | D35 S36 N37 | D35-R39 PolarHBondContact O-NE 2.85Å; S36-R39 PolarHBondContact O-N 2.82Å; N37-R39 VanDerWaalsContact C-N 3.26Å; N37-R39 PolarHBondContact O-N 3.24Å |
| 40 | E | 42.6 | Very low | 41.9 | Very low | 128 Ų | 128 | 129.3 Ų | 129.3 | 60% | 0.598 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -85.4 | -22 | 178.3 | -65.9 | -171.5 | 171.3 | 0 | 0 | 113.7 | S36 N37 N42 | S36-E40 PolarHBondContact O-N 3.25Å; N37-E40 PolarHBondContact O-N 2.83Å; E40-N42 PolarHBondContact O-N 2.94Å |
| 41 | V | 40.1 | Very low | 41 | Very low | 120 Ų | 120 | 133.3 Ų | 133.3 | 73% | 0.727 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.5 | 3.7 | 177.8 | 177.7 | 0 | 0 | 0 | 0 | 113.2 | N37 | N37-V41 WeakPolarHBondContact O-CB 3.27Å; N37-V41 WeakPolarHBondContact O-CG2 3.36Å; N37-V41 PolarHBondContact O-N 2.91Å |
| 42 | N | 35.1 | Very low | 40 | Very low | 130 Ų | 130 | 134.8 Ų | 134.8 | 70% | 0.695 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.5 | 16.2 | 176.7 | -92 | -39.9 | 0 | 0 | 0 | 114.8 | E40 N44 | E40-N42 PolarHBondContact O-N 2.94Å; N42-N44 VanDerWaalsContact C-N 3.34Å; N42-N44 PolarHBondContact O-N 3.12Å |
| 43 | L | 35.3 | Very low | 39 | Very low | 159 Ų | 159 | 137.3 Ų | 137.3 | 83% | 0.832 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -91.4 | 82 | 163.6 | -68.5 | 176.2 | 0 | 0 | 0 | 108.6 | ||
| 44 | N | 34.4 | Very low | 38.4 | Very low | 144 Ų | 144 | 140.4 Ų | 140.4 | 77% | 0.77 | 70% | 0.704 | S | S | * | * | trans | -65.1 | 145.7 | -175.3 | -164.4 | 4.6 | 0 | 0 | 0 | 112.3 | N42 | N42-N44 VanDerWaalsContact C-N 3.34Å; N42-N44 PolarHBondContact O-N 3.12Å | ||
| 45 | Y | 28.4 | Very low | 37.4 | Very low | 208 Ų | 208 | 142.3 Ų | 142.3 | 82% | 0.816 | 72% | 0.717 | S | S | * | * | trans | -43.3 | 130.8 | 162 | -83.3 | -122.5 | 0 | 0 | 0 | 110.7 | ||||
| 46 | G | 33.2 | Very low | 36.9 | Very low | 53 Ų | 53 | 144 Ų | 144 | 55% | 0.546 | 73% | 0.734 | S | S | . | * | trans | -148.9 | 90 | 170.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 47 | D | 30.7 | Very low | 36.5 | Very low | 157 Ų | 157 | 147.4 Ų | 147.4 | 84% | 0.84 | 75% | 0.753 | S | S | * | * | trans | 46.3 | 83.4 | 136.2 | -47.8 | -25.2 | 0 | 0 | 0 | 118.4 | ||||
| 48 | N | 34.5 | Very low | 35.9 | Very low | 160 Ų | 160 | 149.1 Ų | 149.1 | 86% | 0.856 | 77% | 0.768 | S | S | * | * | trans | -123.6 | 42.9 | 159.3 | -56.7 | -19 | 0 | 0 | 0 | 111.4 | S50 | N48-S50 VanDerWaalsContact C-N 3.35Å; N48-S50 PolarHBondContact O-N 3.45Å | ||
| 49 | E | 32.6 | Very low | 35.5 | Very low | 193 Ų | 193 | 148.9 Ų | 148.9 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | trans | -78.4 | 88.8 | 155.5 | -75.7 | -148.7 | 129.8 | 0 | 0 | 107.9 | ||||
| 50 | S | 39.1 | Very low | 35.3 | Very low | 103 Ų | 103 | 146.3 Ų | 146.3 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | trans | -168.9 | 112.1 | 164.5 | -84.6 | 0 | 0 | 0 | 0 | 112 | N48 | N48-S50 VanDerWaalsContact C-N 3.35Å; N48-S50 PolarHBondContact O-N 3.45Å | ||
| 51 | K | 33.3 | Very low | 35.1 | Very low | 186 Ų | 186 | 150.6 Ų | 150.6 | 81% | 0.809 | 79% | 0.785 | S | S | * | * | trans | 69.3 | 89.9 | 150.3 | -60.4 | 175.5 | 176.9 | 178.5 | 0 | 118.2 | ||||
| 52 | L | 35.7 | Very low | 34.9 | Very low | 163 Ų | 163 | 151.4 Ų | 151.4 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | -135 | 86.4 | 135.2 | -76.9 | 178.7 | 0 | 0 | 0 | 109.7 | L54 | L52-L54 PolarHBondContact O-N 3.4Š| ||
| 53 | H | 31.9 | Very low | 35.2 | Very low | 180 Ų | 180 | 153 Ų | 153 | 83% | 0.833 | 79% | 0.792 | S | S | * | * | trans | -69.1 | 101.8 | 157.7 | -80.2 | -150.8 | 0 | 0 | 0 | 107.8 | ||||
| 54 | L | 37.8 | Very low | 35.2 | Very low | 146 Ų | 146 | 150.7 Ų | 150.7 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | trans | -116.9 | 107.4 | 155 | -99.4 | 87.8 | 0 | 0 | 0 | 109.3 | L52 S56 | L52-L54 PolarHBondContact O-N 3.4Å; L54-S56 PolarHBondContact O-N 2.87Å | ||
| 55 | K | 30 | Very low | 35.4 | Very low | 203 Ų | 203 | 150.3 Ų | 150.3 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | trans | -62.3 | 121 | 167.4 | -68.1 | 163.9 | 172.1 | 179.8 | 0 | 108.8 | ||||
| 56 | S | 38.5 | Very low | 36 | Very low | 105 Ų | 105 | 151 Ų | 151 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | -147.3 | 94.4 | 155.1 | 13.5 | 0 | 0 | 0 | 0 | 108.4 | L54 | L54-S56 PolarHBondContact O-N 2.87Š| ||
| 57 | T | 39.2 | Very low | 36.3 | Very low | 131 Ų | 131 | 153.9 Ų | 153.9 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | 5 | 136.2 | 155.8 | 47.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 58 | P | 34.5 | Very low | 36.5 | Very low | 115 Ų | 115 | 152.8 Ų | 152.8 | 75% | 0.747 | 78% | 0.782 | S | S | * | * | trans | -89.9 | 142.4 | 171.2 | 36.9 | -30.1 | 0 | 0 | 0 | 111.5 | ||||
| 59 | N | 36.4 | Very low | 36.8 | Very low | 150 Ų | 150 | 153.2 Ų | 153.2 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | trans | 177.7 | 134 | 160 | -93.7 | -46.5 | 0 | 0 | 0 | 105.4 | ||||
| 60 | L | 38.8 | Very low | 37 | Very low | 139 Ų | 139 | 153 Ų | 153 | 73% | 0.728 | 78% | 0.781 | S | S | * | * | cis | -163.6 | 130.8 | 27.2 | -140.6 | 67.7 | 0 | 0 | 0 | 104.3 | ||||
| 61 | R | 37.3 | Very low | 37 | Very low | 217 Ų | 217 | 152.4 Ų | 152.4 | 82% | 0.819 | 77% | 0.774 | S | S | * | * | 35.2 | 129.7 | 104.4 | -62.8 | -177.1 | -166.4 | 171.2 | 2.7 | 113.5 | |||||
| 62 | D | 37.3 | Very low | 37.2 | Very low | 138 Ų | 138 | 149.3 Ų | 149.3 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | cis | -153.6 | 159.9 | 17.3 | -74.4 | -47.9 | 0 | 0 | 0 | 105.1 | ||||
| 63 | I | 40.1 | Very low | 37.3 | Very low | 164 Ų | 164 | 149.1 Ų | 149.1 | 84% | 0.841 | 77% | 0.766 | S | S | * | * | -176.1 | 134.3 | 83.3 | -77.9 | 158.6 | 0 | 0 | 0 | 106.6 | |||||
| 64 | T | 36.7 | Very low | 37.5 | Very low | 109 Ų | 109 | 147.1 Ų | 147.1 | 67% | 0.669 | 76% | 0.762 | S | S | * | * | trans | -76.5 | 172.6 | 177.5 | 46.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 65 | D | 37.3 | Very low | 37.7 | Very low | 137 Ų | 137 | 148 Ų | 148 | 73% | 0.733 | 77% | 0.768 | S | S | * | * | trans | 89.4 | 100 | 152 | -48.3 | -43.7 | 0 | 0 | 0 | 118.9 | ||||
| 66 | Y | 41 | Very low | 37.8 | Very low | 221 Ų | 221 | 145.1 Ų | 145.1 | 87% | 0.867 | 76% | 0.76 | S | S | * | * | 161 | 150.2 | 115.7 | -115.1 | -101.1 | 0 | 0 | 0 | 109.5 | |||||
| 67 | D | 38.9 | Very low | 37.8 | Very low | 115 Ų | 115 | 148 Ų | 148 | 62% | 0.615 | 77% | 0.766 | S | S | * | * | cis | -164.5 | 160.7 | -37.9 | -162.1 | -6.5 | 0 | 0 | 0 | 104.3 | ||||
| 68 | N | 36 | Very low | 37.4 | Very low | 133 Ų | 133 | 151 Ų | 151 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | trans | -64.1 | 144.8 | -170.3 | -60.2 | -82.1 | 0 | 0 | 0 | 113.6 | ||||
| 69 | N | 39.8 | Very low | 37.6 | Very low | 170 Ų | 170 | 151.1 Ų | 151.1 | 91% | 0.909 | 77% | 0.767 | S | S | * | * | trans | -168.4 | 106.7 | 133.4 | -93.1 | -41.6 | 0 | 0 | 0 | 112.3 | ||||
| 70 | K | 37.2 | Very low | 37.5 | Very low | 188 Ų | 188 | 151.4 Ų | 151.4 | 82% | 0.817 | 77% | 0.769 | S | S | * | * | trans | -95.3 | 174.4 | 156.4 | -140.6 | -164.5 | 163.7 | 178.7 | 0 | 106.1 | ||||
| 71 | P | 40.4 | Very low | 37.7 | Very low | 90 Ų | 90 | 151.3 Ų | 151.3 | 58% | 0.584 | 77% | 0.767 | S | S | * | * | cis | -149.2 | -172.4 | 6 | 41.4 | -18.8 | 0 | 0 | 0 | 118.1 | ||||
| 72 | N | 36 | Very low | 37.9 | Very low | 122 Ų | 122 | 147 Ų | 147 | 65% | 0.652 | 76% | 0.761 | S | S | * | * | trans | 80.5 | 116.3 | 153.4 | -67.9 | -13 | 0 | 0 | 0 | 118.2 | ||||
| 73 | N | 38.8 | Very low | 38.1 | Very low | 158 Ų | 158 | 145.6 Ų | 145.6 | 85% | 0.845 | 76% | 0.761 | S | S | * | * | -167 | 138.6 | 99.9 | -82.2 | -29.5 | 0 | 0 | 0 | 112 | |||||
| 74 | N | 35 | Very low | 38.7 | Very low | 138 Ų | 138 | 146.5 Ų | 146.5 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | trans | -63 | 142.3 | -179.6 | -58.2 | -40.7 | 0 | 0 | 0 | 111.4 | ||||
| 75 | N | 41.6 | Very low | 39.6 | Very low | 165 Ų | 165 | 149.6 Ų | 149.6 | 88% | 0.882 | 76% | 0.764 | S | S | * | * | -164.9 | 128.9 | 127.8 | -90.8 | -25.9 | 0 | 0 | 0 | 111.7 | |||||
| 76 | I | 32.3 | Very low | 40.1 | Very low | 142 Ų | 142 | 147 Ų | 147 | 73% | 0.728 | 75% | 0.754 | S | S | * | * | trans | -78.9 | 124.6 | -174.5 | -70.9 | 154.5 | 0 | 0 | 0 | 109.2 | ||||
| 77 | L | 40.1 | Very low | 40.8 | Very low | 165 Ų | 165 | 142.7 Ų | 142.7 | 86% | 0.864 | 74% | 0.741 | S | S | * | * | trans | -142 | 106.3 | 153.7 | -95.2 | 127.3 | 0 | 0 | 0 | 109.1 | T79 | L77-T79 PolarHBondContact O-N 3.21Š| ||
| 78 | K | 29.8 | Very low | 41.4 | Very low | 196 Ų | 196 | 145.2 Ų | 145.2 | 85% | 0.852 | 74% | 0.742 | S | S | * | * | trans | -74.7 | 114.6 | 176 | -68.5 | 170.9 | 175.8 | 176.7 | 0 | 109 | ||||
| 79 | T | 38.8 | Very low | 42.2 | Very low | 116 Ų | 116 | 140.9 Ų | 140.9 | 71% | 0.712 | 72% | 0.719 | S | S | * | * | trans | -120.2 | 126.9 | 160 | 55.1 | 0 | 0 | 0 | 0 | 110.3 | L77 I81 | L77-T79 PolarHBondContact O-N 3.21Å; T79-I81 PolarHBondContact O-N 3.32Å | ||
| 80 | N | 34.6 | Very low | 42.3 | Very low | 156 Ų | 156 | 141.2 Ų | 141.2 | 83% | 0.834 | 71% | 0.713 | S | S | * | * | trans | -67.9 | 109.7 | -175.9 | 179.9 | -27.2 | 0 | 0 | 0 | 110.9 | ||||
| 81 | I | 42.3 | Very low | 42.8 | Very low | 137 Ų | 137 | 135.9 Ų | 135.9 | 70% | 0.703 | 70% | 0.696 | S | S | * | * | trans | -95.8 | 107.9 | 174.7 | -61.2 | 166.3 | 0 | 0 | 0 | 107.9 | T79 S83 | T79-I81 PolarHBondContact O-N 3.32Å; I81-S83 PolarHBondContact O-N 3.23Å | ||
| 82 | N | 42.8 | Very low | 42.8 | Very low | 128 Ų | 128 | 137.2 Ų | 137.2 | 68% | 0.684 | 71% | 0.707 | S | S | * | * | trans | -78.1 | 100.1 | 169.3 | -165.8 | -3.8 | 0 | 0 | 0 | 108.5 | K84 | N82-K84 PolarHBondContact O-N 3.35Š| ||
| 83 | S | 41.3 | Very low | 42.8 | Very low | 107 Ų | 107 | 135.9 Ų | 135.9 | 75% | 0.748 | 71% | 0.713 | S | S | * | * | trans | -59.7 | 87.5 | -177.8 | -52.6 | 0 | 0 | 0 | 0 | 112.6 | I81 | I81-S83 PolarHBondContact O-N 3.23Š| ||
| 84 | K | 51.6 | Low | 42.7 | Very low | 184 Ų | 184 | 132.5 Ų | 132.5 | 80% | 0.8 | 71% | 0.707 | S | S | * | * | trans | -89 | 112.6 | 167.1 | -73.8 | -177.2 | 179.4 | 177 | 0 | 109.1 | N82 | N82-K84 PolarHBondContact O-N 3.35Š| ||
| 85 | K | 55.7 | Low | 42.9 | Very low | 174 Ų | 174 | 131.2 Ų | 131.2 | 76% | 0.757 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -53 | 143.1 | 174.6 | -66.8 | 176.3 | 178.7 | 180 | 0 | 110.6 | H87 | K85-H87 PolarHBondContact O-N 2.79Š|
| 86 | P | 49.2 | Very low | 42.9 | Very low | 82 Ų | 82 | 133.2 Ų | 133.2 | 53% | 0.532 | 71% | 0.71 | S | S | . | * | P | Polyproline II helix | trans | -63.5 | 130.8 | 177.7 | 26.6 | -33.6 | 0 | 0 | 0 | 110.4 | F269 | P86-F269 HydrophobicContact CB-CZ 4.05Å; P86-F269 HydrophobicContact CG-CZ 4.03Å |
| 87 | H | 53.9 | Low | 43.4 | Very low | 130 Ų | 130 | 133 Ų | 133 | 60% | 0.602 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 120.9 | 175.8 | -127.3 | -92.6 | 0 | 0 | 0 | 109 | K85 | K85-H87 PolarHBondContact O-N 2.79Š|
| 88 | R | 53.3 | Low | 43.5 | Very low | 168 Ų | 168 | 130.1 Ų | 130.1 | 63% | 0.634 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 121.4 | 166.5 | -160.3 | 176.8 | -174 | 165.6 | 4.2 | 107.2 | K254 | R88-K254 PolarHBondContact NH2-O 3.21Š|
| 89 | I | 51.2 | Low | 44.2 | Very low | 42 Ų | 42 | 128 Ų | 128 | 22% | 0.215 | 69% | 0.692 | C | S | . | * | P | Polyproline II helix | trans | -82.4 | 125 | 178.7 | -59.9 | -175.7 | 0 | 0 | 0 | 108.9 | L232 V233 W263 | I89-L232 HydrophobicContact CD1-CB 4.33Å; I89-L232 HydrophobicContact CD1-CD2 4.11Å; I89-V233 HydrophobicContact CD1-CB 4.47Å; I89-V233 HydrophobicContact CD1-CG2 3.9Å; I89-V233 HydrophobicContact CG1-CG2 4.15Å; I89-V233 HydrophobicContact CG2-CG2 4.4Å; I89-W263 HydrophobicContact CD1-CH2 3.56Å; I89-W263 HydrophobicContact CD1-CZ2 4.36Å; I89-W263 HydrophobicContact CD1-CZ3 4.44Å; I89-W263 HydrophobicContact CG1-CH2 4.46Å |
| 90 | F | 42 | Very low | 44.7 | Very low | 178 Ų | 178 | 129.7 Ų | 129.7 | 78% | 0.781 | 69% | 0.691 | S | S | * | * | trans | -90.8 | 115.4 | 166 | -64.8 | -88.8 | 0 | 0 | 0 | 107.9 | S92 | F90-S92 PolarHBondContact O-N 2.92Š| ||
| 91 | T | 47.6 | Very low | 45.4 | Very low | 76 Ų | 76 | 133 Ų | 133 | 47% | 0.466 | 69% | 0.692 | S | S | . | * | trans | -68.9 | 115.3 | 164.4 | 53.2 | 0 | 0 | 0 | 0 | 107.7 | A93 D253 | T91-A93 VanDerWaalsContact C-N 3.31Å; T91-A93 PolarHBondContact O-N 3.07Å; T91-D253 HydrophobicContact CG2-CB 4.27Å | ||
| 92 | S | 41.6 | Very low | 45.5 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 83% | 0.825 | 70% | 0.698 | S | S | * | * | trans | -67.9 | 90.2 | 172.3 | 40.3 | 0 | 0 | 0 | 0 | 109.7 | F90 A94 | F90-S92 PolarHBondContact O-N 2.92Å; S92-A94 PolarHBondContact O-N 2.97Å | ||
| 93 | A | 34.6 | Very low | 45.8 | Very low | 94 Ų | 94 | 138.1 Ų | 138.1 | 78% | 0.777 | 71% | 0.709 | S | S | * | * | trans | -66.1 | 123.3 | 161.7 | 0 | 0 | 0 | 0 | 0 | 108 | T91 | T91-A93 VanDerWaalsContact C-N 3.31Å; T91-A93 PolarHBondContact O-N 3.07Å | ||
| 94 | A | 36.7 | Very low | 46.2 | Very low | 87 Ų | 87 | 139.1 Ų | 139.1 | 72% | 0.719 | 71% | 0.711 | S | S | * | * | trans | 95.9 | 88.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 117 | S92 | S92-A94 PolarHBondContact O-N 2.97Š| ||
| 95 | S | 40.6 | Very low | 45.8 | Very low | 111 Ų | 111 | 140.5 Ų | 140.5 | 78% | 0.776 | 72% | 0.717 | S | S | * | * | trans | -130.8 | 76 | 132.5 | -76.8 | 0 | 0 | 0 | 0 | 108.4 | I97 | S95-I97 PolarHBondContact O-N 3.21Š| ||
| 96 | K | 41 | Very low | 45.6 | Very low | 206 Ų | 206 | 136.5 Ų | 136.5 | 90% | 0.896 | 71% | 0.711 | S | S | * | * | trans | -68.2 | 82.4 | 156.6 | -76.9 | -179.6 | 178 | 176.4 | 0 | 106.4 | N98 | K96-N98 PolarHBondContact O-N 3.49Š| ||
| 97 | I | 43.5 | Very low | 45.6 | Very low | 137 Ų | 137 | 140.8 Ų | 140.8 | 70% | 0.703 | 73% | 0.729 | S | S | * | * | trans | -71.7 | 88.7 | 161.7 | -25.4 | 173.8 | 0 | 0 | 0 | 104.8 | S95 L99 | S95-I97 PolarHBondContact O-N 3.21Å; I97-L99 HydrophobicContact CB-CD1 4.18Å; I97-L99 HydrophobicContact CG2-CD1 4.08Å; I97-L99 PolarHBondContact O-N 2.81Å | ||
| 98 | N | 41.5 | Very low | 45.3 | Very low | 106 Ų | 106 | 144.3 Ų | 144.3 | 57% | 0.567 | 74% | 0.743 | S | S | * | * | trans | -67 | 95.3 | 163.6 | -166.5 | -22.7 | 0 | 0 | 0 | 104.9 | K96 Q100 | K96-N98 PolarHBondContact O-N 3.49Å; N98-Q100 PolarHBondContact ND2-NE2 3.29Å; N98-Q100 PolarHBondContact O-N 2.88Å; N98-Q100 WeakPolarHBondContact OD1-CG 3.32Å; N98-Q100 PolarHBondContact OD1-N 3.27Å | ||
| 99 | L | 45.4 | Very low | 45.3 | Very low | 152 Ų | 152 | 145.5 Ų | 145.5 | 80% | 0.796 | 75% | 0.753 | S | S | * | * | trans | -67.5 | 69.7 | 164.8 | -86.2 | 93.6 | 0 | 0 | 0 | 107.8 | I97 R101 | I97-L99 HydrophobicContact CB-CD1 4.18Å; I97-L99 HydrophobicContact CG2-CD1 4.08Å; I97-L99 PolarHBondContact O-N 2.81Å; L99-R101 VanDerWaalsContact C-N 3.33Å; L99-R101 PolarHBondContact O-N 3.28Å | ||
| 100 | Q | 49.4 | Very low | 45.3 | Very low | 151 Ų | 151 | 152.3 Ų | 152.3 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | trans | -67.2 | 101.3 | 159 | -99.1 | 148.8 | -5.6 | 0 | 0 | 106.1 | N98 | N98-Q100 PolarHBondContact ND2-NE2 3.29Å; N98-Q100 PolarHBondContact O-N 2.88Å; N98-Q100 WeakPolarHBondContact OD1-CG 3.32Å; N98-Q100 PolarHBondContact OD1-N 3.27Å | ||
| 101 | R | 48.6 | Very low | 45.3 | Very low | 226 Ų | 226 | 155.7 Ų | 155.7 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -39.3 | 137.3 | 167.1 | -87.5 | 179.4 | 176.4 | 176.9 | -1.1 | 109.7 | L99 R103 | L99-R101 VanDerWaalsContact C-N 3.33Å; L99-R101 PolarHBondContact O-N 3.28Å; R101-R103 PolarHBondContact O-N 3.32Å | ||
| 102 | P | 43.7 | Very low | 45.4 | Very low | 125 Ų | 125 | 156.9 Ų | 156.9 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | trans | -59.6 | 115 | 178.9 | 21.5 | -28.2 | 0 | 0 | 0 | 109.4 | T104 | P102-T104 PolarHBondContact O-N 3.2Š| ||
| 103 | R | 48.8 | Very low | 46.1 | Very low | 246 Ų | 246 | 159.7 Ų | 159.7 | 93% | 0.928 | 80% | 0.803 | S | S | * | * | trans | -71.2 | 116.9 | 168.3 | -79.6 | -177.6 | 139.8 | 146.4 | -3.9 | 107.8 | R101 | R101-R103 PolarHBondContact O-N 3.32Š| ||
| 104 | T | 49.7 | Very low | 47 | Very low | 128 Ų | 128 | 159.4 Ų | 159.4 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | trans | -64.1 | 142.4 | 172 | 46.4 | 0 | 0 | 0 | 0 | 110.1 | P102 S106 | P102-T104 PolarHBondContact O-N 3.2Å; T104-S106 PolarHBondContact O-N 3.44Å | ||
| 105 | K | 44.1 | Very low | 47.6 | Very low | 213 Ų | 213 | 162.5 Ų | 162.5 | 93% | 0.926 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -82.7 | 98.2 | 179.1 | -67.2 | 176.3 | 177.9 | 176.5 | 0 | 109.2 | ||
| 106 | S | 52.2 | Low | 48 | Very low | 91 Ų | 91 | 162.9 Ų | 162.9 | 64% | 0.636 | 80% | 0.8 | S | S | * | * | trans | -176.4 | 80.8 | 163.3 | 46.3 | 0 | 0 | 0 | 0 | 110.1 | T104 | T104-S106 PolarHBondContact O-N 3.44Š| ||
| 107 | D | 49.1 | Very low | 48.3 | Very low | 171 Ų | 171 | 163 Ų | 163 | 91% | 0.914 | 79% | 0.794 | S | S | * | * | trans | -159.9 | 96.2 | 144.1 | -95.4 | -40.4 | 0 | 0 | 0 | 109.8 | ||||
| 108 | K | 46.6 | Very low | 48.9 | Very low | 204 Ų | 204 | 162.3 Ų | 162.3 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | trans | -111.5 | 93.1 | 175.4 | 176.8 | -178.5 | -177.4 | 174.3 | 0 | 106.6 | ||||
| 109 | K | 52.4 | Low | 49.1 | Very low | 194 Ų | 194 | 162 Ų | 162 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | trans | 149.4 | 125.9 | 167.6 | -98 | 169.2 | 168.7 | 177.8 | 0 | 105 | ||||
| 110 | Q | 52.2 | Low | 49.7 | Very low | 185 Ų | 185 | 162.9 Ų | 162.9 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | cis | -152.7 | 134.9 | 39.4 | -62.4 | 173.6 | -37.3 | 0 | 0 | 108.7 | ||||
| 111 | R | 41.4 | Very low | 49.5 | Very low | 249 Ų | 249 | 160.1 Ų | 160.1 | 94% | 0.94 | 80% | 0.801 | S | S | * | * | trans | -127.3 | 102.7 | 166.3 | 179.5 | 176.6 | -176 | 173.6 | 1.2 | 107.8 | ||||
| 112 | S | 50.9 | Low | 49.8 | Very low | 101 Ų | 101 | 161.1 Ų | 161.1 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | trans | -179.7 | 116.2 | 161.1 | 40.9 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 113 | Q | 56 | Low | 50.1 | Low | 177 Ų | 177 | 160.3 Ų | 160.3 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | -175.6 | 115.7 | 98.8 | -88.9 | 173.8 | 2.9 | 0 | 0 | 106.2 | |||||
| 114 | S | 52.2 | Low | 49.9 | Very low | 88 Ų | 88 | 155.9 Ų | 155.9 | 62% | 0.615 | 79% | 0.793 | S | S | * | * | 60.2 | 116 | 103.7 | 71.5 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 115 | N | 51.2 | Low | 49.8 | Very low | 152 Ų | 152 | 154.9 Ų | 154.9 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | 175.1 | 173.1 | 72.5 | -98.6 | -29.8 | 0 | 0 | 0 | 111.5 | |||||
| 116 | P | 48 | Very low | 49.9 | Very low | 119 Ų | 119 | 150.2 Ų | 150.2 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | -102.7 | 176.1 | -141.4 | 40 | -36.3 | 0 | 0 | 0 | 117.5 | ||||
| 117 | R | 47.4 | Very low | 49.5 | Very low | 209 Ų | 209 | 153.7 Ų | 153.7 | 79% | 0.789 | 79% | 0.786 | S | S | * | * | trans | -58.3 | 163.4 | 179.9 | -145.5 | 179 | -162 | -102.6 | 5.1 | 115 | ||||
| 118 | P | 55.4 | Low | 49.3 | Very low | 121 Ų | 121 | 150.5 Ų | 150.5 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | -126.2 | 154.4 | 140.4 | 25.1 | -7.2 | 0 | 0 | 0 | 114 | ||||
| 119 | V | 46.3 | Very low | 49.3 | Very low | 99 Ų | 99 | 145.5 Ų | 145.5 | 60% | 0.6 | 77% | 0.768 | S | S | * | * | trans | -103.1 | 138.4 | -178.9 | 174.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 120 | I | 57.5 | Low | 49.3 | Very low | 172 Ų | 172 | 144.2 Ų | 144.2 | 88% | 0.882 | 77% | 0.765 | S | S | * | * | trans | -136.6 | 122.8 | 158.3 | -60.9 | -179.5 | 0 | 0 | 0 | 109 | ||||
| 121 | S | 46.2 | Very low | 48.9 | Very low | 92 Ų | 92 | 143.8 Ų | 143.8 | 64% | 0.643 | 76% | 0.761 | S | S | * | * | trans | -98.2 | 149.7 | 177.3 | -45.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 122 | R | 55.2 | Low | 49 | Very low | 247 Ų | 247 | 138.8 Ų | 138.8 | 93% | 0.932 | 75% | 0.753 | S | S | * | * | trans | -178.3 | 149.5 | 131.3 | -103.8 | 167.3 | 179.1 | -157.5 | -1 | 113.7 | ||||
| 123 | P | 50 | Low | 48.6 | Very low | 108 Ų | 108 | 143.6 Ų | 143.6 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | trans | -128 | -179.1 | -172.2 | 36.8 | -15.1 | 0 | 0 | 0 | 115.8 | ||||
| 124 | I | 44.7 | Very low | 48.1 | Very low | 154 Ų | 154 | 140.9 Ų | 140.9 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | trans | 81.5 | 135.8 | 154.3 | -43.4 | -179.2 | 0 | 0 | 0 | 119.3 | ||||
| 125 | S | 45.9 | Very low | 47.7 | Very low | 106 Ų | 106 | 141.9 Ų | 141.9 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | trans | 141.8 | 131.9 | 145.8 | -64.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 126 | V | 46.4 | Very low | 47.5 | Very low | 115 Ų | 115 | 142.4 Ų | 142.4 | 70% | 0.697 | 76% | 0.759 | S | S | * | * | cis | -167.8 | 150.9 | 30.1 | -170.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 127 | E | 44.2 | Very low | 47.1 | Very low | 165 Ų | 165 | 143.2 Ų | 143.2 | 77% | 0.771 | 76% | 0.756 | S | S | * | * | trans | 46.8 | 126.7 | 151.9 | -72.1 | 163.7 | 91.6 | 0 | 0 | 123.3 | ||||
| 128 | S | 45.3 | Very low | 47.1 | Very low | 104 Ų | 104 | 140.3 Ų | 140.3 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | 63.1 | 132.4 | 76 | -48.5 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 129 | S | 47.4 | Very low | 46.6 | Very low | 99 Ų | 99 | 139.8 Ų | 139.8 | 69% | 0.692 | 75% | 0.751 | S | S | * | * | cis | -179.9 | 149.9 | 15 | 35.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 130 | Q | 51.1 | Low | 46.3 | Very low | 167 Ų | 167 | 139.8 Ų | 139.8 | 78% | 0.78 | 76% | 0.755 | S | S | * | * | trans | 76 | 118.9 | 141.5 | -70.6 | -178.1 | 20.9 | 0 | 0 | 123.3 | ||||
| 131 | F | 44.2 | Very low | 45.7 | Very low | 175 Ų | 175 | 137.6 Ų | 137.6 | 77% | 0.768 | 74% | 0.744 | S | S | * | * | 75.8 | 133.7 | 129.1 | -83.9 | -85.2 | 0 | 0 | 0 | 124.3 | |||||
| 132 | N | 44 | Very low | 45.7 | Very low | 145 Ų | 145 | 140.3 Ų | 140.3 | 78% | 0.775 | 75% | 0.747 | S | S | * | * | trans | 91.4 | 116.1 | 149.3 | -64.4 | -36.7 | 0 | 0 | 0 | 121 | ||||
| 133 | K | 41.1 | Very low | 45.2 | Very low | 201 Ų | 201 | 137.7 Ų | 137.7 | 87% | 0.874 | 74% | 0.743 | S | S | * | * | trans | -73.9 | 152.3 | 155.9 | -93.4 | 175.3 | 172.1 | 178.5 | 0 | 109.4 | ||||
| 134 | P | 45.6 | Very low | 45 | Very low | 120 Ų | 120 | 138 Ų | 138 | 78% | 0.779 | 74% | 0.743 | S | S | * | * | -147.2 | 164.5 | 98.4 | 28.8 | -6.7 | 0 | 0 | 0 | 117 | |||||
| 135 | T | 43.9 | Very low | 44.8 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 67% | 0.669 | 74% | 0.741 | S | S | * | * | trans | -30.4 | 145.7 | 164.1 | 26.6 | 0 | 0 | 0 | 0 | 122 | ||||
| 136 | Q | 47.5 | Very low | 44.8 | Very low | 163 Ų | 163 | 139.5 Ų | 139.5 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | trans | 74.5 | 120.1 | 132.4 | -64.3 | 172.1 | 51 | 0 | 0 | 121 | ||||
| 137 | D | 40.7 | Very low | 44.9 | Very low | 136 Ų | 136 | 141.8 Ų | 141.8 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | 148.6 | 112.1 | 127.6 | -90.4 | -36.3 | 0 | 0 | 0 | 110.4 | |||||
| 138 | L | 46.6 | Very low | 44.8 | Very low | 148 Ų | 148 | 137.3 Ų | 137.3 | 78% | 0.775 | 75% | 0.749 | S | S | * | * | 79.3 | 110.5 | 93.2 | -117.6 | 86 | 0 | 0 | 0 | 115 | |||||
| 139 | T | 44.6 | Very low | 45.1 | Very low | 110 Ų | 110 | 138.2 Ų | 138.2 | 68% | 0.675 | 75% | 0.752 | S | S | * | * | trans | 78.3 | 134.4 | 137.3 | -14.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 140 | S | 41.1 | Very low | 45.2 | Very low | 100 Ų | 100 | 141.7 Ų | 141.7 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | trans | 73.7 | 141.6 | 152 | -63.5 | 0 | 0 | 0 | 0 | 117 | ||||
| 141 | L | 44.3 | Very low | 45.1 | Very low | 125 Ų | 125 | 142.6 Ų | 142.6 | 65% | 0.654 | 76% | 0.758 | S | S | * | * | cis | -171.6 | 139.5 | -6.8 | -104.3 | 174.7 | 0 | 0 | 0 | 103 | ||||
| 142 | Q | 45.5 | Very low | 45.7 | Very low | 149 Ų | 149 | 142 Ų | 142 | 70% | 0.696 | 76% | 0.76 | S | S | * | * | trans | 67 | 136.6 | 147.9 | -55 | 167.1 | 5.3 | 0 | 0 | 118.2 | ||||
| 143 | F | 45.4 | Very low | 45.6 | Very low | 192 Ų | 192 | 141.4 Ų | 141.4 | 84% | 0.842 | 76% | 0.757 | S | S | * | * | trans | 168 | 105 | 133.8 | -81.4 | -61.5 | 0 | 0 | 0 | 110.8 | ||||
| 144 | V | 45.7 | Very low | 45.8 | Very low | 116 Ų | 116 | 143.5 Ų | 143.5 | 70% | 0.703 | 76% | 0.759 | S | S | * | * | trans | 9.9 | 131.2 | 144.2 | -100.1 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 145 | N | 40.8 | Very low | 46.1 | Very low | 139 Ų | 139 | 145.8 Ų | 145.8 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | trans | 46 | 127.6 | 131.8 | -61.4 | -10.2 | 0 | 0 | 0 | 122.7 | ||||
| 146 | N | 45.5 | Very low | 46.2 | Very low | 152 Ų | 152 | 147.5 Ų | 147.5 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | trans | -164.1 | 110.7 | 142.4 | -87.2 | -41.4 | 0 | 0 | 0 | 108.2 | ||||
| 147 | I | 49.4 | Very low | 46.2 | Very low | 163 Ų | 163 | 147.4 Ų | 147.4 | 84% | 0.836 | 77% | 0.774 | S | S | * | * | 56.9 | 118.2 | 83.8 | -55.8 | 174.7 | 0 | 0 | 0 | 114.2 | |||||
| 148 | G | 41.5 | Very low | 46.4 | Very low | 71 Ų | 71 | 146.2 Ų | 146.2 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | trans | 152.3 | 113.2 | 152 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 149 | P | 52.3 | Low | 46.6 | Very low | 122 Ų | 122 | 145 Ų | 145 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | trans | -105.6 | 156.2 | 168.6 | 36.9 | -27 | 0 | 0 | 0 | 113.1 | ||||
| 150 | H | 47.8 | Very low | 46.4 | Very low | 172 Ų | 172 | 146.7 Ų | 146.7 | 80% | 0.796 | 78% | 0.781 | S | S | * | * | trans | -146.5 | 112.5 | 169.1 | -105.7 | -98.3 | 0 | 0 | 0 | 108.7 | ||||
| 151 | K | 49.3 | Very low | 46.7 | Very low | 187 Ų | 187 | 150.2 Ų | 150.2 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | 42.1 | 123 | 93.4 | -65.4 | -174.2 | -179.9 | 179.3 | 0 | 112.2 | |||||
| 152 | M | 58.2 | Low | 46.4 | Very low | 163 Ų | 163 | 150.1 Ų | 150.1 | 80% | 0.803 | 80% | 0.796 | S | S | * | * | 177.9 | 131.3 | 66.8 | 44.4 | -172.8 | 56 | 0 | 0 | 110.2 | |||||
| 153 | N | 41.3 | Very low | 46.6 | Very low | 132 Ų | 132 | 148.9 Ų | 148.9 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | 60.5 | 114.1 | 103.1 | -163.1 | -0.1 | 0 | 0 | 0 | 117.4 | |||||
| 154 | R | 45.8 | Very low | 46.9 | Very low | 245 Ų | 245 | 148.4 Ų | 148.4 | 93% | 0.925 | 80% | 0.804 | S | S | * | * | -168 | 124.7 | 124.9 | -103.7 | 171.5 | -176 | -165.3 | 1 | 113.2 | |||||
| 155 | Q | 50.7 | Low | 46.9 | Very low | 167 Ų | 167 | 148.5 Ų | 148.5 | 78% | 0.78 | 81% | 0.805 | S | S | * | * | trans | -76.5 | 143.8 | 171.2 | -60 | 160.7 | 0.1 | 0 | 0 | 110.1 | ||||
| 156 | T | 45.6 | Very low | 47.1 | Very low | 146 Ų | 146 | 147.7 Ų | 147.7 | 90% | 0.896 | 81% | 0.807 | S | S | * | * | trans | -146.4 | 132 | 150.5 | -51.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 157 | L | 47.5 | Very low | 47.1 | Very low | 161 Ų | 161 | 148.9 Ų | 148.9 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | trans | -77 | 161.1 | -172.5 | -66.8 | 126.1 | 0 | 0 | 0 | 114 | ||||
| 158 | S | 46.4 | Very low | 47 | Very low | 111 Ų | 111 | 148.7 Ų | 148.7 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | trans | -60.6 | 174 | 177 | -38 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 159 | P | 50.6 | Low | 47.2 | Very low | 122 Ų | 122 | 154.6 Ų | 154.6 | 79% | 0.792 | 81% | 0.814 | S | S | * | * | -148.9 | 151.4 | 85.4 | 34.7 | -14.3 | 0 | 0 | 0 | 117.9 | |||||
| 160 | L | 40.4 | Very low | 46.9 | Very low | 145 Ų | 145 | 157 Ų | 157 | 76% | 0.759 | 82% | 0.819 | S | S | * | * | trans | -4 | 121.5 | 141.6 | -170.6 | 71.1 | 0 | 0 | 0 | 118 | ||||
| 161 | L | 45.8 | Very low | 46.9 | Very low | 174 Ų | 174 | 153.6 Ų | 153.6 | 91% | 0.911 | 82% | 0.815 | S | S | * | * | trans | -138 | 108.1 | 150.1 | -81.9 | 173.8 | 0 | 0 | 0 | 109.9 | ||||
| 162 | T | 39.2 | Very low | 46.6 | Very low | 124 Ų | 124 | 152.6 Ų | 152.6 | 76% | 0.761 | 82% | 0.818 | S | S | * | * | trans | -69.7 | 127.7 | 165.9 | -10.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 163 | S | 49.6 | Very low | 46.3 | Very low | 123 Ų | 123 | 150 Ų | 150 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | trans | -141.4 | 132.8 | 160.5 | -171.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 164 | Q | 50.6 | Low | 47 | Very low | 182 Ų | 182 | 154.7 Ų | 154.7 | 85% | 0.85 | 82% | 0.824 | S | S | * | * | trans | -76.7 | 153.6 | -163.1 | -65.6 | 162.4 | 5.2 | 0 | 0 | 112.9 | ||||
| 165 | V | 47.6 | Very low | 47.3 | Very low | 118 Ų | 118 | 149.1 Ų | 149.1 | 72% | 0.715 | 82% | 0.82 | S | S | * | * | trans | -66.8 | 152.4 | 179 | -179.2 | 0 | 0 | 0 | 0 | 111.1 | Q167 | V165-Q167 HydrophobicContact CG1-CG 3.87Š| ||
| 166 | P | 44.9 | Very low | 47.4 | Very low | 121 Ų | 121 | 146.6 Ų | 146.6 | 79% | 0.786 | 82% | 0.816 | S | S | * | * | -127.8 | 132.9 | 121.7 | 0.8 | 20.2 | 0 | 0 | 0 | 113.1 | N168 | P166-N168 PolarHBondContact O-N 3.25Š| |||
| 167 | Q | 44.1 | Very low | 47.7 | Very low | 177 Ų | 177 | 145 Ų | 145 | 83% | 0.827 | 81% | 0.81 | S | S | * | * | trans | -70.4 | 112.7 | 174.4 | -64.9 | -172.5 | -16.8 | 0 | 0 | 109.2 | V165 K169 | V165-Q167 HydrophobicContact CG1-CG 3.87Å; Q167-K169 PolarHBondContact O-N 3.38Å | ||
| 168 | N | 47.9 | Very low | 47.6 | Very low | 159 Ų | 159 | 145.1 Ų | 145.1 | 85% | 0.85 | 81% | 0.809 | S | S | * | * | trans | -77.2 | 106.7 | 166.9 | -97.2 | -2.8 | 0 | 0 | 0 | 109.3 | P166 L170 | P166-N168 PolarHBondContact O-N 3.25Å; N168-L170 PolarHBondContact O-N 3.19Å | ||
| 169 | K | 45 | Very low | 47.9 | Very low | 196 Ų | 196 | 146.3 Ų | 146.3 | 85% | 0.852 | 81% | 0.811 | S | S | * | * | trans | -56.6 | 115.2 | 163.9 | -73 | -177.1 | 177.1 | -174.1 | 0 | 108.7 | Q167 S171 | Q167-K169 PolarHBondContact O-N 3.38Å; K169-S171 VanDerWaalsContact C-N 3.35Å; K169-S171 PolarHBondContact O-N 3.47Å | ||
| 170 | L | 46.1 | Very low | 47.3 | Very low | 172 Ų | 172 | 144.2 Ų | 144.2 | 90% | 0.901 | 81% | 0.811 | S | S | * | * | trans | -78 | 87.8 | 171.6 | -151.3 | 76.4 | 0 | 0 | 0 | 108 | N168 N172 | N168-L170 PolarHBondContact O-N 3.19Å; L170-N172 PolarHBondContact O-N 3.27Å | ||
| 171 | S | 48.9 | Very low | 48 | Very low | 100 Ų | 100 | 142.8 Ų | 142.8 | 70% | 0.699 | 81% | 0.805 | S | S | * | * | trans | -75.1 | 119.3 | 167.4 | 53.1 | 0 | 0 | 0 | 0 | 109.1 | K169 S173 | K169-S171 VanDerWaalsContact C-N 3.35Å; K169-S171 PolarHBondContact O-N 3.47Å; S171-S173 PolarHBondContact O-N 3.48Å | ||
| 172 | N | 42.3 | Very low | 48.1 | Very low | 166 Ų | 166 | 139.1 Ų | 139.1 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | trans | -54.7 | 96.7 | 170 | -88.8 | -12.4 | 0 | 0 | 0 | 110.9 | L170 | L170-N172 PolarHBondContact O-N 3.27Š| ||
| 173 | S | 52 | Low | 48.5 | Very low | 110 Ų | 110 | 141.9 Ų | 141.9 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 116.6 | 165.5 | 53.5 | 0 | 0 | 0 | 0 | 109.3 | S171 | S171-S173 PolarHBondContact O-N 3.48Š|
| 174 | R | 56.4 | Low | 48.3 | Very low | 229 Ų | 229 | 142.9 Ų | 142.9 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 141.6 | 172.9 | -73.5 | 175.9 | 172.3 | -151.3 | -2 | 110.8 | V176 | R174-V176 PolarHBondContact O-N 3.21Š|
| 175 | P | 51.6 | Low | 47.5 | Very low | 128 Ų | 128 | 135.9 Ų | 135.9 | 83% | 0.831 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -71 | 123 | 171.4 | 28.8 | -30.8 | 0 | 0 | 0 | 109.6 | ||
| 176 | V | 53 | Low | 47.2 | Very low | 115 Ų | 115 | 138 Ų | 138 | 70% | 0.697 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -97 | 121.8 | 168.3 | -177.5 | 0 | 0 | 0 | 0 | 107.4 | R174 M178 | R174-V176 PolarHBondContact O-N 3.21Å; V176-M178 HydrophobicContact CG1-CE 3.42Å; V176-M178 VanDerWaalsContact CG1-CE 3.42Å |
| 177 | S | 52.8 | Low | 46.7 | Very low | 112 Ų | 112 | 142.6 Ų | 142.6 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 123.7 | 172.2 | -66.8 | 0 | 0 | 0 | 0 | 109.6 | ||
| 178 | M | 44.4 | Very low | 46.9 | Very low | 164 Ų | 164 | 140.2 Ų | 140.2 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 124.9 | 171.5 | -68.5 | -75.5 | 106.4 | 0 | 0 | 109 | V176 | V176-M178 HydrophobicContact CG1-CE 3.42Å; V176-M178 VanDerWaalsContact CG1-CE 3.42Å |
| 179 | T | 52.2 | Low | 46.9 | Very low | 136 Ų | 136 | 141.8 Ų | 141.8 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | trans | -123.5 | 117.8 | 162.9 | -49.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 180 | G | 38 | Very low | 47.4 | Very low | 77 Ų | 77 | 141.6 Ų | 141.6 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | trans | -69.9 | 134.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 181 | N | 55 | Low | 47.7 | Very low | 115 Ų | 115 | 139 Ų | 139 | 62% | 0.615 | 78% | 0.781 | S | S | * | * | trans | -105.7 | 117.7 | 170.5 | 54.8 | -13.4 | 0 | 0 | 0 | 109.1 | ||||
| 182 | A | 48.3 | Very low | 48.1 | Very low | 98 Ų | 98 | 140.8 Ų | 140.8 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | -83.4 | 129.4 | 154.6 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 183 | E | 47.5 | Very low | 48.7 | Very low | 182 Ų | 182 | 141.3 Ų | 141.3 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | S | Bend | trans | 84.4 | 85.5 | 165.8 | -139.1 | 170.6 | 155.9 | 0 | 0 | 116.8 | G185 | E183-G185 PolarHBondContact O-N 3.08Š|
| 184 | V | 45.6 | Very low | 48.5 | Very low | 143 Ų | 143 | 141 Ų | 141 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | trans | 31.8 | 78.1 | 150.8 | -158.7 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 185 | G | 34.7 | Very low | 48.3 | Very low | 35 Ų | 35 | 135.6 Ų | 135.6 | 36% | 0.361 | 78% | 0.775 | S | S | . | * | trans | -124.2 | 110.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | E183 W187 | E183-G185 PolarHBondContact O-N 3.08Å; G185-W187 PolarHBondContact O-N 3.11Å | ||
| 186 | I | 40 | Very low | 48.4 | Very low | 163 Ų | 163 | 136.5 Ų | 136.5 | 84% | 0.836 | 77% | 0.768 | S | S | * | * | trans | -72.1 | 105.5 | 171.9 | -65.6 | 155.7 | 0 | 0 | 0 | 107.2 | ||||
| 187 | W | 35.9 | Very low | 48.2 | Very low | 218 Ų | 218 | 137.4 Ų | 137.4 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | trans | -96.6 | 104 | 174.6 | -63.3 | 91.1 | 0 | 0 | 0 | 108.9 | G185 E189 | G185-W187 PolarHBondContact O-N 3.11Å; W187-E189 PolarHBondContact O-N 2.81Å | ||
| 188 | T | 47.7 | Very low | 48.3 | Very low | 127 Ų | 127 | 135.1 Ų | 135.1 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | trans | -71.4 | 115.3 | 166.1 | 15.6 | 0 | 0 | 0 | 0 | 108.9 | K190 | T188-K190 PolarHBondContact O-N 3.04Å; T188-K190 VanDerWaalsContact O-N 3.1Å | ||
| 189 | E | 46.5 | Very low | 48.7 | Very low | 191 Ų | 191 | 131.7 Ų | 131.7 | 89% | 0.893 | 76% | 0.762 | S | S | * | * | trans | -62.1 | 110 | 175.2 | -67.8 | -171.1 | 156.6 | 0 | 0 | 109.8 | W187 | W187-E189 PolarHBondContact O-N 2.81Š| ||
| 190 | K | 56.5 | Low | 49.1 | Very low | 192 Ų | 192 | 130.8 Ų | 130.8 | 84% | 0.835 | 75% | 0.747 | S | S | * | * | trans | -75.3 | 131.4 | 163.6 | -67.1 | -174 | 179 | -178.8 | 0 | 107.9 | T188 V192 | T188-K190 PolarHBondContact O-N 3.04Å; T188-K190 VanDerWaalsContact O-N 3.1Å; K190-V192 PolarHBondContact O-N 2.89Å | ||
| 191 | P | 52.6 | Low | 50.6 | Low | 119 Ų | 119 | 130.5 Ų | 130.5 | 77% | 0.773 | 73% | 0.73 | S | S | * | * | trans | -55.9 | 129.6 | 174.8 | -20 | 30.5 | 0 | 0 | 0 | 109.6 | E193 | P191-E193 PolarHBondContact O-N 3.34Š| ||
| 192 | V | 56.3 | Low | 51.4 | Low | 137 Ų | 137 | 131.4 Ų | 131.4 | 83% | 0.83 | 73% | 0.733 | S | S | * | * | trans | -61.9 | 103 | 171.9 | 169.6 | 0 | 0 | 0 | 0 | 107.7 | K190 S194 | K190-V192 PolarHBondContact O-N 2.89Å; V192-S194 PolarHBondContact O-N 3.01Å | ||
| 193 | E | 55.4 | Low | 52.4 | Low | 177 Ų | 177 | 132.4 Ų | 132.4 | 83% | 0.827 | 72% | 0.724 | S | S | * | * | trans | -57.5 | 131.3 | 169 | -87.2 | 175.8 | 153.9 | 0 | 0 | 109.4 | P191 V195 | P191-E193 PolarHBondContact O-N 3.34Å; E193-V195 PolarHBondContact O-N 3.19Å; E193-V195 VanDerWaalsContact O-N 3.08Å | ||
| 194 | S | 47.3 | Very low | 53.2 | Low | 103 Ų | 103 | 126.9 Ų | 126.9 | 72% | 0.72 | 70% | 0.7 | S | S | * | * | trans | -47.7 | 109.1 | -173.7 | 58.1 | 0 | 0 | 0 | 0 | 112.9 | V192 Q196 | V192-S194 PolarHBondContact O-N 3.01Å; S194-Q196 PolarHBondContact O-N 3.38Å | ||
| 195 | V | 53.1 | Low | 54 | Low | 116 Ų | 116 | 125.2 Ų | 125.2 | 70% | 0.703 | 68% | 0.683 | S | S | * | * | trans | -77.1 | 115.2 | 165.5 | -179.4 | 0 | 0 | 0 | 0 | 107.8 | E193 | E193-V195 PolarHBondContact O-N 3.19Å; E193-V195 VanDerWaalsContact O-N 3.08Å | ||
| 196 | Q | 54.3 | Low | 55.3 | Low | 147 Ų | 147 | 129 Ų | 129 | 69% | 0.687 | 69% | 0.694 | S | S | * | * | trans | -51.2 | 144 | 176.1 | -66.5 | -73.1 | -21.7 | 0 | 0 | 111.8 | S194 G198 | S194-Q196 PolarHBondContact O-N 3.38Å; Q196-G198 VanDerWaalsContact C-N 3.32Å; Q196-G198 PolarHBondContact O-N 3.39Å | ||
| 197 | P | 47.7 | Very low | 56.4 | Low | 133 Ų | 133 | 125.9 Ų | 125.9 | 86% | 0.864 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | 83.5 | -179 | 31.7 | -32.3 | 0 | 0 | 0 | 109.8 | ||
| 198 | G | 55.3 | Low | 57.4 | Low | 64 Ų | 64 | 120.7 Ų | 120.7 | 66% | 0.66 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -161.6 | -4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q196 K200 | Q196-G198 VanDerWaalsContact C-N 3.32Å; Q196-G198 PolarHBondContact O-N 3.39Å; G198-K200 PolarHBondContact O-N 3.02Å |
| 199 | S | 53.7 | Low | 57.7 | Low | 92 Ų | 92 | 118.1 Ų | 118.1 | 64% | 0.643 | 65% | 0.649 | S | S | * | * | trans | -78.2 | 88.6 | 175.4 | 43.5 | 0 | 0 | 0 | 0 | 110.1 | T201 | S199-T201 PolarHBondContact O-N 2.83Š| ||
| 200 | K | 60.6 | Low | 58.3 | Low | 118 Ų | 118 | 113.5 Ų | 113.5 | 51% | 0.513 | 63% | 0.63 | S | S | . | * | trans | -54.2 | 113.4 | 168.9 | -58.7 | -174.9 | 177.8 | -161 | 0 | 108.1 | G198 N204 E208 | G198-K200 PolarHBondContact O-N 3.02Å; K200-N204 HydrophobicContact CB-CB 4.47Å; K200-E208 IonicContact NZ-OE1 3.82Å; K200-E208 IonicContact NZ-OE2 2.73Å; K200-E208 PolarHBondContact NZ-OE2 2.91Å | ||
| 201 | T | 69.7 | Low | 58.3 | Low | 70 Ų | 70 | 108.4 Ų | 108.4 | 43% | 0.429 | 61% | 0.611 | S | S | . | * | trans | -58.5 | 153.2 | 172.2 | 54.4 | 0 | 0 | 0 | 0 | 108.9 | S199 I203 N204 Q205 | S199-T201 PolarHBondContact O-N 2.83Å; T201-I203 PolarHBondContact O-N 2.82Å; T201-N204 WeakPolarHBondContact O-CA 3.24Å; T201-N204 PolarHBondContact O-N 3.39Å; T201-N204 WeakPolarHBondContact OG1-CB 3.49Å; T201-N204 PolarHBondContact OG1-N 3.15Å; T201-N204 VanDerWaalsContact OG1-N 3.13Å; T201-N204 PolarHBondContact OG1-ND2 2.85Å; T201-N204 PolarHBondContact OG1-OD1 3.44Å; T201-Q205 PolarHBondContact O-N 3.48Å | ||
| 202 | I | 70.4 | Confident | 58.4 | Low | 135 Ų | 135 | 108.2 Ų | 108.2 | 69% | 0.692 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -51.7 | -34 | 172.9 | -63.5 | 169.2 | 0 | 0 | 0 | 110 | Q205 L206 | I202-Q205 PolarHBondContact O-N 2.95Å; I202-L206 HydrophobicContact CG2-CD1 3.87Å; I202-L206 HydrophobicContact CG2-CG 4.27Å; I202-L206 WeakPolarHBondContact O-CB 3.12Å; I202-L206 WeakPolarHBondContact O-CG 3.48Å; I202-L206 PolarHBondContact O-N 3.01Å |
| 203 | I | 69.7 | Low | 58.7 | Low | 119 Ų | 119 | 104.8 Ų | 104.8 | 61% | 0.61 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -62.5 | -47.5 | 174.7 | -60.7 | 164 | 0 | 0 | 0 | 111.6 | T201 Q205 L206 M207 | T201-I203 PolarHBondContact O-N 2.82Å; I203-Q205 VanDerWaalsContact C-N 3.32Å; I203-Q205 PolarHBondContact O-N 3.45Å; I203-L206 PolarHBondContact O-N 3.31Å; I203-M207 HydrophobicContact CG2-CE 3.61Å; I203-M207 WeakPolarHBondContact O-CE 3.38Å; I203-M207 WeakPolarHBondContact O-CG 3.14Å; I203-M207 PolarHBondContact O-N 3.09Å |
| 204 | N | 64.3 | Low | 59.5 | Low | 65 Ų | 65 | 99.5 Ų | 99.5 | 35% | 0.348 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.6 | -35.6 | 176.5 | -69 | -0.1 | 0 | 0 | 0 | 112.2 | K200 T201 M207 E208 | K200-N204 HydrophobicContact CB-CB 4.47Å; T201-N204 WeakPolarHBondContact O-CA 3.24Å; T201-N204 PolarHBondContact O-N 3.39Å; T201-N204 WeakPolarHBondContact OG1-CB 3.49Å; T201-N204 PolarHBondContact OG1-N 3.15Å; T201-N204 VanDerWaalsContact OG1-N 3.13Å; T201-N204 PolarHBondContact OG1-ND2 2.85Å; T201-N204 PolarHBondContact OG1-OD1 3.44Å; N204-M207 HydrophobicContact CB-CE 4.47Å; N204-M207 HydrophobicContact CB-SD 4.4Å; N204-M207 WeakPolarHBondContact O-CG 3.18Å; N204-M207 WeakPolarHBondContact OD1-CE 3.5Å; N204-E208 WeakPolarHBondContact O-CB 3.11Å; N204-E208 VanDerWaalsContact O-CG 3.26Å; N204-E208 WeakPolarHBondContact O-CG 3.38Å; N204-E208 PolarHBondContact O-N 2.97Å; N204-E208 VanDerWaalsContact O-N 3.07Å |
| 205 | Q | 62.7 | Low | 61.1 | Low | 108 Ų | 108 | 98.5 Ų | 98.5 | 51% | 0.505 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -70.4 | -34.5 | 175.9 | -164.1 | 151.9 | 25.5 | 0 | 0 | 112.2 | T201 I202 I203 C209 | T201-Q205 PolarHBondContact O-N 3.48Å; I202-Q205 PolarHBondContact O-N 2.95Å; I203-Q205 VanDerWaalsContact C-N 3.32Å; I203-Q205 PolarHBondContact O-N 3.45Å; Q205-C209 PolarHBondContact O-N 3.34Å; Q205-C209 VanDerWaalsContact O-N 3.12Å; Q205-C209 PolarHBondContact O-SG 2.96Å |
| 206 | L | 62.7 | Low | 62.9 | Low | 116 Ų | 116 | 95.6 Ų | 95.6 | 61% | 0.607 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -73.2 | -32.5 | 175.9 | -71.3 | 169.6 | 0 | 0 | 0 | 113.2 | I202 I203 | I202-L206 HydrophobicContact CG2-CD1 3.87Å; I202-L206 HydrophobicContact CG2-CG 4.27Å; I202-L206 WeakPolarHBondContact O-CB 3.12Å; I202-L206 WeakPolarHBondContact O-CG 3.48Å; I202-L206 PolarHBondContact O-N 3.01Å; I203-L206 PolarHBondContact O-N 3.31Å |
| 207 | M | 62.2 | Low | 64.7 | Low | 97 Ų | 97 | 88.7 Ų | 88.7 | 48% | 0.478 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -76.2 | -28.4 | 174 | 64.1 | -179.7 | 72.9 | 0 | 0 | 112.8 | I203 N204 | I203-M207 HydrophobicContact CG2-CE 3.61Å; I203-M207 WeakPolarHBondContact O-CE 3.38Å; I203-M207 WeakPolarHBondContact O-CG 3.14Å; I203-M207 PolarHBondContact O-N 3.09Å; N204-M207 HydrophobicContact CB-CE 4.47Å; N204-M207 HydrophobicContact CB-SD 4.4Å; N204-M207 WeakPolarHBondContact O-CG 3.18Å; N204-M207 WeakPolarHBondContact OD1-CE 3.5Å |
| 208 | E | 57.5 | Low | 66.7 | Low | 108 Ų | 108 | 84.8 Ų | 84.8 | 51% | 0.505 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -80.8 | -15.1 | 174.2 | -73.1 | 175.2 | -161 | 0 | 0 | 112.8 | K200 N204 D210 | K200-E208 IonicContact NZ-OE1 3.82Å; K200-E208 IonicContact NZ-OE2 2.73Å; K200-E208 PolarHBondContact NZ-OE2 2.91Å; N204-E208 WeakPolarHBondContact O-CB 3.11Å; N204-E208 VanDerWaalsContact O-CG 3.26Å; N204-E208 WeakPolarHBondContact O-CG 3.38Å; N204-E208 PolarHBondContact O-N 2.97Å; N204-E208 VanDerWaalsContact O-N 3.07Å; E208-D210 VanDerWaalsContact C-N 3.3Å; E208-D210 PolarHBondContact O-N 3.45Å |
| 209 | C | 54.5 | Low | 68.4 | Low | 74 Ų | 74 | 85.9 Ų | 85.9 | 50% | 0.5 | 46% | 0.461 | S | S | . | . | S | Bend | trans | -72.2 | 83.2 | 173.1 | -78.5 | 0 | 0 | 0 | 0 | 110.7 | Q205 L211 | Q205-C209 PolarHBondContact O-N 3.34Å; Q205-C209 VanDerWaalsContact O-N 3.12Å; Q205-C209 PolarHBondContact O-SG 2.96Å; C209-L211 VanDerWaalsContact C-N 3.33Å; C209-L211 PolarHBondContact O-N 2.74Å |
| 210 | D | 57.1 | Low | 70.3 | Confident | 93 Ų | 93 | 83.6 Ų | 83.6 | 50% | 0.497 | 45% | 0.445 | S | S | . | . | trans | 42.1 | 46.3 | 157.8 | -59.5 | -31.6 | 0 | 0 | 0 | 116.1 | E208 N212 S213 | E208-D210 VanDerWaalsContact C-N 3.3Å; E208-D210 PolarHBondContact O-N 3.45Å; D210-N212 PolarHBondContact O-N 2.95Å; D210-N212 VanDerWaalsContact O-N 3.09Å; D210-S213 WeakPolarHBondContact O-CB 3.47Å; D210-S213 PolarHBondContact O-N 2.8Å; D210-S213 PolarHBondContact O-OG 3Å | ||
| 211 | L | 56.9 | Low | 71.8 | Confident | 85 Ų | 85 | 84.6 Ų | 84.6 | 45% | 0.445 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -52.9 | -29.8 | 165.5 | -68 | 175.3 | 0 | 0 | 0 | 110.7 | C209 S213 I214 E215 | C209-L211 VanDerWaalsContact C-N 3.33Å; C209-L211 PolarHBondContact O-N 2.74Å; L211-S213 PolarHBondContact O-N 2.91Å; L211-I214 HydrophobicContact CD2-CD1 4.37Å; L211-I214 PolarHBondContact O-N 3.03Å; L211-E215 WeakPolarHBondContact O-CG 3.25Å; L211-E215 PolarHBondContact O-N 3.31Å |
| 212 | N | 55.2 | Low | 72.9 | Confident | 115 Ų | 115 | 88.2 Ų | 88.2 | 62% | 0.615 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -57.6 | -31.6 | 172 | -63.7 | -9 | 0 | 0 | 0 | 113.8 | D210 I214 N216 | D210-N212 PolarHBondContact O-N 2.95Å; D210-N212 VanDerWaalsContact O-N 3.09Å; N212-I214 VanDerWaalsContact C-N 3.35Å; N212-N216 WeakPolarHBondContact O-CB 3.47Å; N212-N216 VanDerWaalsContact O-CG 3.25Å; N212-N216 PolarHBondContact O-N 3Å |
| 213 | S | 62.9 | Low | 73.8 | Confident | 65 Ų | 65 | 89.4 Ų | 89.4 | 46% | 0.455 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -76.8 | -25.2 | 177.7 | 72.4 | 0 | 0 | 0 | 0 | 112.7 | D210 L211 | D210-S213 WeakPolarHBondContact O-CB 3.47Å; D210-S213 PolarHBondContact O-N 2.8Å; D210-S213 PolarHBondContact O-OG 3Å; L211-S213 PolarHBondContact O-N 2.91Å |
| 214 | I | 72.9 | Confident | 74.7 | Confident | 67 Ų | 67 | 84.7 Ų | 84.7 | 34% | 0.344 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -85.3 | -24.5 | 178.1 | -59.4 | 167 | 0 | 0 | 0 | 110.4 | L211 N212 | L211-I214 HydrophobicContact CD2-CD1 4.37Å; L211-I214 PolarHBondContact O-N 3.03Å; N212-I214 VanDerWaalsContact C-N 3.35Å |
| 215 | E | 80 | Confident | 75.8 | Confident | 82 Ų | 82 | 84.6 Ų | 84.6 | 38% | 0.383 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -88.4 | -15.5 | 180 | -72.7 | -179.7 | -161.8 | 0 | 0 | 114.2 | L211 K223 M224 | L211-E215 WeakPolarHBondContact O-CG 3.25Å; L211-E215 PolarHBondContact O-N 3.31Å; E215-K223 CarbonylContact O-C 3.49Å; E215-K223 VanDerWaalsContact O-CA 3.26Å; E215-K223 WeakPolarHBondContact O-CA 3.47Å; E215-M224 WeakPolarHBondContact O-CG 3.2Å; E215-M224 PolarHBondContact O-N 3.25Å |
| 216 | N | 89.9 | Confident | 76.9 | Confident | 55 Ų | 55 | 84.9 Ų | 84.9 | 29% | 0.294 | 45% | 0.45 | S | S | . | . | B | Isolated β-bridge | trans | -114.8 | 136.1 | -173.4 | -66.7 | 3.6 | 0 | 0 | 0 | 111.9 | N212 S218 K222 | N212-N216 WeakPolarHBondContact O-CB 3.47Å; N212-N216 VanDerWaalsContact O-CG 3.25Å; N212-N216 PolarHBondContact O-N 3Å; N216-S218 PolarHBondContact O-N 3.48Å; N216-K222 WeakPolarHBondContact CA-O 3.47Å |
| 217 | C | 93 | Very high | 78.1 | Confident | 1 Ų | 1 | 85.8 Ų | 85.8 | 1% | 0.007 | 46% | 0.455 | C | S | . | . | trans | -69.9 | 132 | 177.6 | 173.6 | 0 | 0 | 0 | 0 | 112.2 | I219 C220 H221 K222 M224 V236 H238 | C217-I219 PolarHBondContact O-N 3.17Å; C217-I219 PolarHBondContact SG-N 3.5Å; C217-C220 PolarHBondContact SG-N 3.27Å; C217-H221 WeakPolarHBondContact O-CA 3.28Å; C217-H221 PolarHBondContact O-N 3.34Å; C217-H221 PolarHBondContact O-ND1 3.48Å; C217-K222 PolarHBondContact N-O 3.05Å; C217-M224 WeakPolarHBondContact CA-SD 3.44Å; C217-M224 HydrophobicContact CB-SD 3.53Å; C217-M224 VanDerWaalsContact CB-SD 3.53Å; C217-M224 PolarHBondContact N-SD 3.34Å; C217-V236 CarbonylContact C-O 3.55Å; C217-V236 WeakPolarHBondContact CA-O 3.26Å; C217-H238 WeakPolarHBondContact CB-CE1 3.35Å; C217-H238 WeakPolarHBondContact CB-ND1 3.09Å; C217-H238 PolarHBondContact SG-N 2.89Å; C217-H238 PolarHBondContact SG-ND1 2.9Å; C217-H238 VanDerWaalsContact SG-ND1 3.38Å | ||
| 218 | S | 89.6 | Confident | 79.2 | Confident | 52 Ų | 52 | 84.3 Ų | 84.3 | 36% | 0.364 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -15.8 | 177.6 | -49.5 | 0 | 0 | 0 | 0 | 114.4 | N216 H221 Q235 V236 | N216-S218 PolarHBondContact O-N 3.48Å; S218-H221 PolarHBondContact O-CE1 3.01Å; S218-Q235 WeakPolarHBondContact OG-CB 3.03Å; S218-V236 PolarHBondContact N-O 3.48Å; S218-V236 PolarHBondContact OG-N 3.23Å; S218-V236 PolarHBondContact OG-O 3.42Å |
| 219 | I | 90.7 | Very high | 80.7 | Confident | 86 Ų | 86 | 82.2 Ų | 82.2 | 44% | 0.441 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -50.8 | -180 | -63 | 171.6 | 0 | 0 | 0 | 111.4 | C217 I237 C241 | C217-I219 PolarHBondContact O-N 3.17Å; C217-I219 PolarHBondContact SG-N 3.5Å; I219-I237 HydrophobicContact CD1-CB 4.26Å; I219-I237 HydrophobicContact CD1-CD1 4.16Å; I219-I237 HydrophobicContact CD1-CG2 3.93Å; I219-I237 HydrophobicContact CG1-CG2 3.93Å; I219-C241 HydrophobicContact CB-CB 4.07Å; I219-C241 HydrophobicContact CD1-CB 3.93Å; I219-C241 VanDerWaalsContact CD1-O 3.25Å; I219-C241 WeakPolarHBondContact CD1-O 3.43Å; I219-C241 HydrophobicContact CG2-CB 4.25Å |
| 220 | C | 93.7 | Very high | 82.4 | Confident | 45 Ų | 45 | 80.5 Ų | 80.5 | 30% | 0.304 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -5.3 | -175.4 | 76.7 | 0 | 0 | 0 | 0 | 114.5 | C217 K222 H238 | C217-C220 PolarHBondContact SG-N 3.27Å; C220-K222 PolarHBondContact O-N 3.01Å; C220-H238 PolarHBondContact SG-CE1 3.1Å; C220-H238 PolarHBondContact SG-ND1 3.31Å |
| 221 | H | 92 | Very high | 83.9 | Confident | 139 Ų | 139 | 80.1 Ų | 80.1 | 64% | 0.644 | 42% | 0.415 | S | S | * | . | trans | 58.4 | 12.7 | -179.8 | -51.9 | -57.5 | 0 | 0 | 0 | 115.8 | C217 S218 | C217-H221 WeakPolarHBondContact O-CA 3.28Å; C217-H221 PolarHBondContact O-N 3.34Å; C217-H221 PolarHBondContact O-ND1 3.48Å; S218-H221 PolarHBondContact O-CE1 3.01Å | ||
| 222 | K | 92.5 | Very high | 85.3 | Confident | 146 Ų | 146 | 77.1 Ų | 77.1 | 64% | 0.635 | 40% | 0.4 | S | S | * | . | trans | -85.4 | 153.8 | 174.3 | -60.8 | 178.3 | -176.4 | -179.9 | 0 | 110.9 | N216 C217 C220 H238 | N216-K222 WeakPolarHBondContact CA-O 3.47Å; C217-K222 PolarHBondContact N-O 3.05Å; C220-K222 PolarHBondContact O-N 3.01Å; K222-H238 PolarHBondContact O-CE1 3.08Å | ||
| 223 | K | 90.9 | Very high | 86.5 | Confident | 160 Ų | 160 | 76.6 Ų | 76.6 | 70% | 0.696 | 40% | 0.401 | S | S | * | . | B | Isolated β-bridge | trans | -61.2 | 143.9 | 171.4 | -68.4 | -172.1 | 174.4 | -164.8 | 0 | 110.9 | E215 H238 | E215-K223 CarbonylContact O-C 3.49Å; E215-K223 VanDerWaalsContact O-CA 3.26Å; E215-K223 WeakPolarHBondContact O-CA 3.47Å; K223-H238 PolarHBondContact O-NE2 3.17Å |
| 224 | M | 88.4 | Confident | 87.4 | Confident | 20 Ų | 20 | 80.4 Ų | 80.4 | 10% | 0.099 | 42% | 0.416 | C | S | . | . | trans | -128.2 | 140.5 | -178 | 22.9 | -159.7 | -58.1 | 0 | 0 | 110.5 | E215 C217 R229 V236 I237 H238 | E215-M224 WeakPolarHBondContact O-CG 3.2Å; E215-M224 PolarHBondContact O-N 3.25Å; C217-M224 WeakPolarHBondContact CA-SD 3.44Å; C217-M224 HydrophobicContact CB-SD 3.53Å; C217-M224 VanDerWaalsContact CB-SD 3.53Å; C217-M224 PolarHBondContact N-SD 3.34Å; M224-R229 HydrophobicContact CE-CB 2.92Å; M224-R229 HydrophobicContact CE-CG 4.25Å; M224-V236 HydrophobicContact CE-CG1 3.38Å; M224-V236 HydrophobicContact SD-CG1 3.88Å; M224-I237 WeakPolarHBondContact CE-O 3.04Å; M224-H238 WeakPolarHBondContact CB-NE2 3.36Å | ||
| 225 | S | 86.6 | Confident | 88.1 | Confident | 63 Ų | 63 | 79.6 Ų | 79.6 | 44% | 0.441 | 41% | 0.411 | S | S | . | . | trans | -74.6 | 154.7 | 168.3 | 72.6 | 0 | 0 | 0 | 0 | 110.2 | N227 E228 | S225-N227 PolarHBondContact O-N 2.71Å; S225-N227 VanDerWaalsContact O-N 3.08Å; S225-E228 PolarHBondContact O-N 3.02Å; S225-E228 VanDerWaalsContact O-N 3.11Å; S225-E228 PolarHBondContact OG-N 2.83Å | ||
| 226 | V | 85.5 | Confident | 88.5 | Confident | 114 Ų | 114 | 76.6 Ų | 76.6 | 69% | 0.691 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -57.1 | -25.1 | 173.8 | -177.5 | 0 | 0 | 0 | 0 | 111.8 | R229 | V226-R229 WeakPolarHBondContact O-CG 3.25Š|
| 227 | N | 87.3 | Confident | 88.6 | Confident | 135 Ų | 135 | 74 Ų | 74 | 72% | 0.722 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -79.1 | -30.9 | -178.9 | -139.4 | 63.5 | 0 | 0 | 0 | 112.6 | S225 R239 | S225-N227 PolarHBondContact O-N 2.71Å; S225-N227 VanDerWaalsContact O-N 3.08Å; N227-R239 PolarHBondContact O-NE 3.33Å; N227-R239 PolarHBondContact O-NH2 3.41Å |
| 228 | E | 86.6 | Confident | 88.7 | Confident | 66 Ų | 66 | 74.5 Ų | 74.5 | 31% | 0.308 | 39% | 0.386 | S | S | . | . | G | 310 helix | trans | -97.5 | 12.1 | -174.6 | -153.1 | -167.2 | 157 | 0 | 0 | 113.1 | S225 H238 R239 | S225-E228 PolarHBondContact O-N 3.02Å; S225-E228 VanDerWaalsContact O-N 3.11Å; S225-E228 PolarHBondContact OG-N 2.83Å; E228-H238 CarbonylContact O-C 3.46Å; E228-H238 VanDerWaalsContact O-CA 3.28Å; E228-H238 WeakPolarHBondContact O-CA 3.47Å; E228-H238 IonicContact OE1-CD2 3.86Å; E228-H238 IonicContact OE2-CD2 3.01Å; E228-R239 HydrophobicContact CG-CB 4.5Å; E228-R239 WeakPolarHBondContact O-CG 3.45Å; E228-R239 PolarHBondContact O-N 3.12Å |
| 229 | R | 89.3 | Confident | 88.7 | Confident | 63 Ų | 63 | 77.3 Ų | 77.3 | 24% | 0.238 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 145.9 | -176.5 | 76.7 | -177.2 | -162.9 | -176.5 | 8.4 | 114.6 | M224 V226 D231 V236 I237 | M224-R229 HydrophobicContact CE-CB 2.92Å; M224-R229 HydrophobicContact CE-CG 4.25Å; V226-R229 WeakPolarHBondContact O-CG 3.25Å; R229-D231 WeakPolarHBondContact CD-OD1 3.38Å; R229-D231 IonicContact CZ-OD1 3.69Å; R229-D231 IonicContact CZ-OD2 3.5Å; R229-D231 IonicContact NE-OD1 2.96Å; R229-D231 PolarHBondContact NE-OD1 3.04Å; R229-D231 VanDerWaalsContact NE-OD1 3.09Å; R229-D231 IonicContact NE-OD2 3.09Å; R229-D231 PolarHBondContact NE-OD2 3.09Å; R229-D231 IonicContact NH2-OD1 3.36Å; R229-D231 IonicContact NH2-OD2 3.71Å; R229-D231 PolarHBondContact NH2-OD2 3.11Å; R229-V236 HydrophobicContact CB-CG1 4.22Å; R229-I237 WeakPolarHBondContact CA-O 3.26Å |
| 230 | Y | 90.3 | Very high | 88.8 | Confident | 39 Ų | 39 | 78.4 Ų | 78.4 | 15% | 0.153 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 122.6 | 157.1 | -78.6 | -63.1 | 0 | 0 | 0 | 109.1 | V236 I237 R239 F242 D253 | Y230-V236 WeakPolarHBondContact O-CA 3.32Å; Y230-I237 PolarHBondContact N-O 2.98Å; Y230-I237 PolarHBondContact O-N 3.09Å; Y230-R239 HydrophobicContact CD2-CB 4.19Å; Y230-R239 HydrophobicContact CD2-CG 3.82Å; Y230-R239 HydrophobicContact CE2-CB 3.86Å; Y230-R239 HydrophobicContact CE2-CG 3.56Å; Y230-F242 HydrophobicContact CD2-CB 3.91Å; Y230-F242 AromaticContact CD2-CD1 3.83Å; Y230-F242 HydrophobicContact CD2-CD1 3.83Å; Y230-F242 HydrophobicContact CD2-CG 4.13Å; Y230-F242 HydrophobicContact CE2-CB 4.22Å; Y230-F242 AromaticContact CE2-CD1 3.76Å; Y230-F242 HydrophobicContact CE2-CD1 3.76Å; Y230-F242 HydrophobicContact CE2-CG 4.4Å; Y230-D253 WeakPolarHBondContact CE1-OD1 3.39Å |
| 231 | D | 88.1 | Confident | 88.8 | Confident | 84 Ų | 84 | 77.6 Ų | 77.6 | 45% | 0.449 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 100 | 172.3 | -65.4 | -34.3 | 0 | 0 | 0 | 107.3 | R229 | R229-D231 WeakPolarHBondContact CD-OD1 3.38Å; R229-D231 IonicContact CZ-OD1 3.69Å; R229-D231 IonicContact CZ-OD2 3.5Å; R229-D231 IonicContact NE-OD1 2.96Å; R229-D231 PolarHBondContact NE-OD1 3.04Å; R229-D231 VanDerWaalsContact NE-OD1 3.09Å; R229-D231 IonicContact NE-OD2 3.09Å; R229-D231 PolarHBondContact NE-OD2 3.09Å; R229-D231 IonicContact NH2-OD1 3.36Å; R229-D231 IonicContact NH2-OD2 3.71Å; R229-D231 PolarHBondContact NH2-OD2 3.11Å |
| 232 | L | 85.3 | Confident | 88.9 | Confident | 23 Ų | 23 | 71.1 Ų | 71.1 | 12% | 0.12 | 36% | 0.36 | C | S | . | . | trans | -93.8 | 168.6 | 175.8 | -54.6 | 165.8 | 0 | 0 | 0 | 109.3 | I89 D234 Q235 I237 F242 W263 | I89-L232 HydrophobicContact CD1-CB 4.33Å; I89-L232 HydrophobicContact CD1-CD2 4.11Å; L232-D234 VanDerWaalsContact C-N 3.27Å; L232-D234 PolarHBondContact O-N 3.4Å; L232-Q235 WeakPolarHBondContact CA-O 3.46Å; L232-Q235 HydrophobicContact CB-CG 3.94Å; L232-Q235 VanDerWaalsContact CB-O 3.25Å; L232-Q235 WeakPolarHBondContact CB-O 3.06Å; L232-Q235 HydrophobicContact CD1-CG 3.73Å; L232-Q235 HydrophobicContact CG-CG 4.44Å; L232-Q235 PolarHBondContact N-O 3.33Å; L232-I237 HydrophobicContact CD1-CD1 3.46Å; L232-I237 VanDerWaalsContact CD1-CD1 3.46Å; L232-I237 HydrophobicContact CD1-CG1 3.82Å; L232-F242 HydrophobicContact CD1-CE2 4.46Å; L232-F242 HydrophobicContact CD2-CZ 4.48Å; L232-W263 HydrophobicContact CD1-CH2 4.34Å; L232-W263 HydrophobicContact CD1-CZ2 3.52Å; L232-W263 HydrophobicContact CD2-CH2 4.2Å; L232-W263 HydrophobicContact CD2-CZ2 4.19Å; L232-W263 HydrophobicContact CG-CZ2 4.29Å | ||
| 233 | V | 80.5 | Confident | 88.9 | Confident | 104 Ų | 104 | 68.1 Ų | 68.1 | 63% | 0.63 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -53.3 | -43.5 | -174.3 | 174.6 | 0 | 0 | 0 | 0 | 112.7 | I89 | I89-V233 HydrophobicContact CD1-CB 4.47Å; I89-V233 HydrophobicContact CD1-CG2 3.9Å; I89-V233 HydrophobicContact CG1-CG2 4.15Å; I89-V233 HydrophobicContact CG2-CG2 4.4Å |
| 234 | D | 82 | Confident | 89 | Confident | 144 Ų | 144 | 60.5 Ų | 60.5 | 77% | 0.77 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -116.8 | -4 | -174.4 | -66.3 | -46.7 | 0 | 0 | 0 | 114.1 | L232 | L232-D234 VanDerWaalsContact C-N 3.27Å; L232-D234 PolarHBondContact O-N 3.4Å |
| 235 | Q | 86.9 | Confident | 89.2 | Confident | 50 Ų | 50 | 62.5 Ų | 62.5 | 23% | 0.234 | 33% | 0.33 | C | S | . | . | trans | -153.7 | 153.7 | -169.6 | 57.5 | 179.4 | 55.4 | 0 | 0 | 113 | S218 L232 I237 | S218-Q235 WeakPolarHBondContact OG-CB 3.03Å; L232-Q235 WeakPolarHBondContact CA-O 3.46Å; L232-Q235 HydrophobicContact CB-CG 3.94Å; L232-Q235 VanDerWaalsContact CB-O 3.25Å; L232-Q235 WeakPolarHBondContact CB-O 3.06Å; L232-Q235 HydrophobicContact CD1-CG 3.73Å; L232-Q235 HydrophobicContact CG-CG 4.44Å; L232-Q235 PolarHBondContact N-O 3.33Å; Q235-I237 HydrophobicContact CG-CG2 4.44Å | ||
| 236 | V | 90.4 | Very high | 89.4 | Confident | 20 Ų | 20 | 63 Ų | 63 | 12% | 0.121 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 125.9 | 176.2 | -179.7 | 0 | 0 | 0 | 0 | 107.9 | C217 S218 M224 R229 Y230 | C217-V236 CarbonylContact C-O 3.55Å; C217-V236 WeakPolarHBondContact CA-O 3.26Å; S218-V236 PolarHBondContact N-O 3.48Å; S218-V236 PolarHBondContact OG-N 3.23Å; S218-V236 PolarHBondContact OG-O 3.42Å; M224-V236 HydrophobicContact CE-CG1 3.38Å; M224-V236 HydrophobicContact SD-CG1 3.88Å; R229-V236 HydrophobicContact CB-CG1 4.22Å; Y230-V236 WeakPolarHBondContact O-CA 3.32Å |
| 237 | I | 92 | Very high | 89.7 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 152.9 | -174.1 | 64.5 | 173.5 | 0 | 0 | 0 | 112.4 | I219 M224 R229 Y230 L232 Q235 F242 | I219-I237 HydrophobicContact CD1-CB 4.26Å; I219-I237 HydrophobicContact CD1-CD1 4.16Å; I219-I237 HydrophobicContact CD1-CG2 3.93Å; I219-I237 HydrophobicContact CG1-CG2 3.93Å; M224-I237 WeakPolarHBondContact CE-O 3.04Å; R229-I237 WeakPolarHBondContact CA-O 3.26Å; Y230-I237 PolarHBondContact N-O 2.98Å; Y230-I237 PolarHBondContact O-N 3.09Å; L232-I237 HydrophobicContact CD1-CD1 3.46Å; L232-I237 VanDerWaalsContact CD1-CD1 3.46Å; L232-I237 HydrophobicContact CD1-CG1 3.82Å; Q235-I237 HydrophobicContact CG-CG2 4.44Å; I237-F242 HydrophobicContact CD1-CB 3.64Å; I237-F242 HydrophobicContact CD1-CD2 3.35Å; I237-F242 HydrophobicContact CD1-CE2 4.17Å; I237-F242 HydrophobicContact CD1-CG 3.78Å; I237-F242 HydrophobicContact CG1-CB 4.44Å |
| 238 | H | 93.2 | Very high | 90 | Very high | 12 Ų | 12 | 59 Ų | 59 | 6% | 0.056 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 146.7 | 170.7 | -61.7 | 96 | 0 | 0 | 0 | 110.6 | C217 C220 K222 K223 M224 E228 N240 C241 F242 | C217-H238 WeakPolarHBondContact CB-CE1 3.35Å; C217-H238 WeakPolarHBondContact CB-ND1 3.09Å; C217-H238 PolarHBondContact SG-N 2.89Å; C217-H238 PolarHBondContact SG-ND1 2.9Å; C217-H238 VanDerWaalsContact SG-ND1 3.38Å; C220-H238 PolarHBondContact SG-CE1 3.1Å; C220-H238 PolarHBondContact SG-ND1 3.31Å; K222-H238 PolarHBondContact O-CE1 3.08Å; K223-H238 PolarHBondContact O-NE2 3.17Å; M224-H238 WeakPolarHBondContact CB-NE2 3.36Å; E228-H238 CarbonylContact O-C 3.46Å; E228-H238 VanDerWaalsContact O-CA 3.28Å; E228-H238 WeakPolarHBondContact O-CA 3.47Å; E228-H238 IonicContact OE1-CD2 3.86Å; E228-H238 IonicContact OE2-CD2 3.01Å; H238-N240 PolarHBondContact O-N 3.36Å; H238-C241 HydrophobicContact CB-CB 3.96Å; H238-C241 PolarHBondContact O-N 3.36Å; H238-F242 PolarHBondContact O-N 3.07Å; H238-F242 VanDerWaalsContact O-N 3.07Å |
| 239 | R | 91.2 | Very high | 90.3 | Very high | 110 Ų | 110 | 61.8 Ų | 61.8 | 42% | 0.415 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -39.9 | 167.2 | -68.7 | 177.5 | -174.3 | -116.1 | 1.1 | 111.4 | N227 E228 Y230 F242 | N227-R239 PolarHBondContact O-NE 3.33Å; N227-R239 PolarHBondContact O-NH2 3.41Å; E228-R239 HydrophobicContact CG-CB 4.5Å; E228-R239 WeakPolarHBondContact O-CG 3.45Å; E228-R239 PolarHBondContact O-N 3.12Å; Y230-R239 HydrophobicContact CD2-CB 4.19Å; Y230-R239 HydrophobicContact CD2-CG 3.82Å; Y230-R239 HydrophobicContact CE2-CB 3.86Å; Y230-R239 HydrophobicContact CE2-CG 3.56Å; R239-F242 PolarHBondContact O-N 3.37Å |
| 240 | N | 92.6 | Very high | 90.4 | Very high | 109 Ų | 109 | 61.8 Ų | 61.8 | 58% | 0.583 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -22.6 | 179.3 | -68.1 | 30.1 | 0 | 0 | 0 | 113.3 | H238 K243 | H238-N240 PolarHBondContact O-N 3.36Å; N240-K243 WeakPolarHBondContact O-CD 3.41Å; N240-K243 WeakPolarHBondContact O-CE 3.38Å |
| 241 | C | 93.4 | Very high | 90.5 | Very high | 29 Ų | 29 | 60 Ų | 60 | 20% | 0.196 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -15.3 | 174.4 | -68.6 | 0 | 0 | 0 | 0 | 112.3 | I219 H238 K243 | I219-C241 HydrophobicContact CB-CB 4.07Å; I219-C241 HydrophobicContact CD1-CB 3.93Å; I219-C241 VanDerWaalsContact CD1-O 3.25Å; I219-C241 WeakPolarHBondContact CD1-O 3.43Å; I219-C241 HydrophobicContact CG2-CB 4.25Å; H238-C241 HydrophobicContact CB-CB 3.96Å; H238-C241 PolarHBondContact O-N 3.36Å; C241-K243 VanDerWaalsContact C-N 3.32Å; C241-K243 PolarHBondContact O-N 3.12Å |
| 242 | F | 93.2 | Very high | 90.4 | Very high | 3 Ų | 3 | 59.7 Ų | 59.7 | 1% | 0.013 | 32% | 0.32 | C | S | . | . | trans | -76.9 | 84.2 | 179 | -168.5 | -140.4 | 0 | 0 | 0 | 110.8 | Y230 L232 I237 H238 R239 T250 L251 A256 W263 | Y230-F242 HydrophobicContact CD2-CB 3.91Å; Y230-F242 AromaticContact CD2-CD1 3.83Å; Y230-F242 HydrophobicContact CD2-CD1 3.83Å; Y230-F242 HydrophobicContact CD2-CG 4.13Å; Y230-F242 HydrophobicContact CE2-CB 4.22Å; Y230-F242 AromaticContact CE2-CD1 3.76Å; Y230-F242 HydrophobicContact CE2-CD1 3.76Å; Y230-F242 HydrophobicContact CE2-CG 4.4Å; L232-F242 HydrophobicContact CD1-CE2 4.46Å; L232-F242 HydrophobicContact CD2-CZ 4.48Å; I237-F242 HydrophobicContact CD1-CB 3.64Å; I237-F242 HydrophobicContact CD1-CD2 3.35Å; I237-F242 HydrophobicContact CD1-CE2 4.17Å; I237-F242 HydrophobicContact CD1-CG 3.78Å; I237-F242 HydrophobicContact CG1-CB 4.44Å; H238-F242 PolarHBondContact O-N 3.07Å; H238-F242 VanDerWaalsContact O-N 3.07Å; R239-F242 PolarHBondContact O-N 3.37Å; F242-T250 WeakPolarHBondContact O-CA 3.46Å; F242-L251 HydrophobicContact CD1-CB 3.67Å; F242-L251 WeakPolarHBondContact CD1-O 3.28Å; F242-L251 HydrophobicContact CD2-CB 4.32Å; F242-L251 HydrophobicContact CD2-CD1 4.3Å; F242-L251 HydrophobicContact CE1-CB 3.65Å; F242-L251 HydrophobicContact CE2-CB 4.34Å; F242-L251 HydrophobicContact CE2-CD1 4.14Å; F242-L251 HydrophobicContact CG-CB 4.04Å; F242-L251 HydrophobicContact CZ-CB 4.04Å; F242-L251 HydrophobicContact CZ-CD1 4.44Å; F242-L251 PolarHBondContact O-N 3.18Å; F242-A256 HydrophobicContact CE1-CB 3.78Å; F242-A256 HydrophobicContact CE2-CB 3.99Å; F242-A256 HydrophobicContact CZ-CB 3.18Å; F242-W263 HydrophobicContact CD2-CD2 4.36Å; F242-W263 HydrophobicContact CD2-CG 4.23Å; F242-W263 HydrophobicContact CE2-CB 4.35Å; F242-W263 AromaticContact CE2-CD2 3.54Å; F242-W263 HydrophobicContact CE2-CD2 3.54Å; F242-W263 AromaticContact CE2-CE3 3.66Å; F242-W263 HydrophobicContact CE2-CE3 3.66Å; F242-W263 AromaticContact CE2-CG 3.84Å; F242-W263 HydrophobicContact CE2-CG 3.84Å; F242-W263 HydrophobicContact CE2-CZ3 4.22Å; F242-W263 HydrophobicContact CZ-CD2 4.45Å; F242-W263 HydrophobicContact CZ-CE3 4.15Å; F242-W263 HydrophobicContact CZ-CZ3 4.41Å | ||
| 243 | K | 93.6 | Very high | 90 | Very high | 83 Ų | 83 | 61.5 Ų | 61.5 | 36% | 0.361 | 33% | 0.33 | S | S | . | . | B | Isolated β-bridge | trans | -128 | 150.5 | -173.2 | -70.1 | 179.4 | 167.5 | -61.4 | 0 | 111.8 | N240 C241 S245 N248 E249 T250 | N240-K243 WeakPolarHBondContact O-CD 3.41Å; N240-K243 WeakPolarHBondContact O-CE 3.38Å; C241-K243 VanDerWaalsContact C-N 3.32Å; C241-K243 PolarHBondContact O-N 3.12Å; K243-S245 PolarHBondContact O-N 3.03Å; K243-N248 WeakPolarHBondContact CD-O 3.37Å; K243-N248 PolarHBondContact NZ-O 3.11Å; K243-N248 VanDerWaalsContact NZ-O 3.13Å; K243-E249 CarbonylContact C-O 3.55Å; K243-E249 VanDerWaalsContact CA-O 3.24Å; K243-E249 WeakPolarHBondContact CA-O 3.42Å; K243-T250 PolarHBondContact NZ-OG1 3.32Å |
| 244 | C | 93 | Very high | 90 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 34% | 0.336 | C | S | . | . | trans | -66 | 130.2 | 172.5 | -178 | 0 | 0 | 0 | 0 | 109.5 | I246 C247 N248 E249 L251 W263 C265 H268 | C244-I246 PolarHBondContact O-N 3.48Å; C244-I246 VanDerWaalsContact O-N 3.09Å; C244-I246 PolarHBondContact SG-N 3.28Å; C244-C247 WeakPolarHBondContact CB-SG 3.43Å; C244-C247 VanDerWaalsContact SG-SG 3.64Å; C244-N248 WeakPolarHBondContact O-CA 3.41Å; C244-N248 PolarHBondContact O-N 2.89Å; C244-E249 PolarHBondContact N-O 3.44Å; C244-L251 HydrophobicContact CB-CD2 3.98Å; C244-L251 HydrophobicContact CB-CG 4.33Å; C244-W263 CarbonylContact C-O 3.53Å; C244-W263 WeakPolarHBondContact CA-O 3.44Å; C244-C265 HydrophobicContact CB-CB 4.3Å; C244-C265 PolarHBondContact SG-N 3.06Å; C244-H268 PolarHBondContact SG-ND1 2.85Å; C244-H268 VanDerWaalsContact SG-ND1 3.35Å | ||
| 245 | S | 91.5 | Very high | 90 | Very high | 62 Ų | 62 | 59.6 Ų | 59.6 | 43% | 0.434 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -13.4 | 176.7 | 54.6 | 0 | 0 | 0 | 0 | 114.6 | K243 S262 W263 | K243-S245 PolarHBondContact O-N 3.03Å; S245-S262 PolarHBondContact OG-OG 2.89Å; S245-W263 PolarHBondContact N-O 3.03Å; S245-W263 PolarHBondContact OG-O 3.02Å |
| 246 | I | 90.4 | Very high | 90.1 | Very high | 72 Ų | 72 | 57.8 Ų | 57.8 | 37% | 0.369 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | -50.6 | -173.5 | -59.2 | 155 | 0 | 0 | 0 | 111.5 | C244 C264 H268 N272 | C244-I246 PolarHBondContact O-N 3.48Å; C244-I246 VanDerWaalsContact O-N 3.09Å; C244-I246 PolarHBondContact SG-N 3.28Å; I246-C264 HydrophobicContact CD1-CB 4.26Å; I246-H268 HydrophobicContact CB-CB 4.43Å; I246-H268 HydrophobicContact CD1-CB 3.53Å; I246-N272 WeakPolarHBondContact CD1-ND2 3.44Å |
| 247 | C | 93.3 | Very high | 90.1 | Very high | 57 Ų | 57 | 58.4 Ų | 58.4 | 39% | 0.385 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -9.2 | 175 | 45.9 | 0 | 0 | 0 | 0 | 115.3 | C244 E249 H268 | C244-C247 WeakPolarHBondContact CB-SG 3.43Å; C244-C247 VanDerWaalsContact SG-SG 3.64Å; C247-E249 HydrophobicContact CB-CB 4.36Å; C247-E249 PolarHBondContact O-N 3.37Å; C247-E249 VanDerWaalsContact O-N 3.09Å; C247-E249 VanDerWaalsContact SG-CB 3.51Å; C247-H268 VanDerWaalsContact CB-CE1 3.48Å; C247-H268 WeakPolarHBondContact CB-CE1 3.43Å; C247-H268 PolarHBondContact SG-CE1 3.07Å |
| 248 | N | 93.1 | Very high | 89.9 | Confident | 109 Ų | 109 | 62.3 Ų | 62.3 | 58% | 0.583 | 32% | 0.324 | S | S | * | . | trans | 60.7 | 11.8 | -171 | -55.8 | -50.9 | 0 | 0 | 0 | 115.3 | K243 C244 | K243-N248 WeakPolarHBondContact CD-O 3.37Å; K243-N248 PolarHBondContact NZ-O 3.11Å; K243-N248 VanDerWaalsContact NZ-O 3.13Å; C244-N248 WeakPolarHBondContact O-CA 3.41Å; C244-N248 PolarHBondContact O-N 2.89Å | ||
| 249 | E | 92.2 | Very high | 89.5 | Confident | 125 Ų | 125 | 63.4 Ų | 63.4 | 58% | 0.584 | 33% | 0.329 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 142.3 | 174.5 | -164.8 | 57.4 | -121.8 | 0 | 0 | 110.4 | K243 C244 C247 L251 | K243-E249 CarbonylContact C-O 3.55Å; K243-E249 VanDerWaalsContact CA-O 3.24Å; K243-E249 WeakPolarHBondContact CA-O 3.42Å; C244-E249 PolarHBondContact N-O 3.44Å; C247-E249 HydrophobicContact CB-CB 4.36Å; C247-E249 PolarHBondContact O-N 3.37Å; C247-E249 VanDerWaalsContact O-N 3.09Å; C247-E249 VanDerWaalsContact SG-CB 3.51Å; E249-L251 PolarHBondContact O-N 3.27Å |
| 250 | T | 92.5 | Very high | 89.2 | Confident | 63 Ų | 63 | 65.1 Ų | 65.1 | 39% | 0.387 | 35% | 0.346 | S | S | . | . | B | Isolated β-bridge | trans | -68.3 | 124.4 | 178.3 | -52.7 | 0 | 0 | 0 | 0 | 109.6 | F242 K243 | F242-T250 WeakPolarHBondContact O-CA 3.46Å; K243-T250 PolarHBondContact NZ-OG1 3.32Å |
| 251 | L | 91.8 | Very high | 88.8 | Confident | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.01 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -81.6 | 143.6 | -179.1 | -65.6 | 174 | 0 | 0 | 0 | 110.2 | F242 C244 E249 A256 W263 C265 | F242-L251 HydrophobicContact CD1-CB 3.67Å; F242-L251 WeakPolarHBondContact CD1-O 3.28Å; F242-L251 HydrophobicContact CD2-CB 4.32Å; F242-L251 HydrophobicContact CD2-CD1 4.3Å; F242-L251 HydrophobicContact CE1-CB 3.65Å; F242-L251 HydrophobicContact CE2-CB 4.34Å; F242-L251 HydrophobicContact CE2-CD1 4.14Å; F242-L251 HydrophobicContact CG-CB 4.04Å; F242-L251 HydrophobicContact CZ-CB 4.04Å; F242-L251 HydrophobicContact CZ-CD1 4.44Å; F242-L251 PolarHBondContact O-N 3.18Å; C244-L251 HydrophobicContact CB-CD2 3.98Å; C244-L251 HydrophobicContact CB-CG 4.33Å; E249-L251 PolarHBondContact O-N 3.27Å; L251-A256 HydrophobicContact CB-CB 4.05Å; L251-A256 HydrophobicContact CD1-CB 4.05Å; L251-A256 HydrophobicContact CG-CB 4.5Å; L251-W263 HydrophobicContact CD1-CB 3.62Å; L251-C265 HydrophobicContact CD2-CB 3.59Å |
| 252 | T | 85.8 | Confident | 88.5 | Confident | 77 Ų | 77 | 63.8 Ų | 63.8 | 47% | 0.472 | 36% | 0.355 | S | S | . | . | trans | -105.4 | 158.1 | 167.1 | 64.7 | 0 | 0 | 0 | 0 | 108.9 | K254 S255 A256 | T252-K254 PolarHBondContact O-N 3.3Å; T252-S255 PolarHBondContact N-OG 3.38Å; T252-S255 PolarHBondContact O-N 2.73Å; T252-S255 PolarHBondContact O-OG 3Å; T252-S255 PolarHBondContact OG1-OG 3.2Å; T252-S255 VanDerWaalsContact OG1-OG 3.14Å; T252-A256 PolarHBondContact O-N 3.17Å; T252-A256 VanDerWaalsContact O-N 3.16Å | ||
| 253 | D | 76.8 | Confident | 88.4 | Confident | 60 Ų | 60 | 64.8 Ų | 64.8 | 32% | 0.321 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | -29.1 | -179.5 | -54.9 | -30.7 | 0 | 0 | 0 | 113.1 | T91 Y230 | T91-D253 HydrophobicContact CG2-CB 4.27Å; Y230-D253 WeakPolarHBondContact CE1-OD1 3.39Å |
| 254 | K | 80.4 | Confident | 88.3 | Confident | 174 Ų | 174 | 61 Ų | 61 | 76% | 0.757 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -27.7 | -178.5 | -62.5 | -177.7 | -178 | -179.3 | 0 | 113.9 | R88 T252 | R88-K254 PolarHBondContact NH2-O 3.21Å; T252-K254 PolarHBondContact O-N 3.3Å |
| 255 | S | 83.8 | Confident | 88.2 | Confident | 34 Ų | 34 | 61.9 Ų | 61.9 | 24% | 0.238 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | -3.5 | -169.8 | 66.6 | 0 | 0 | 0 | 0 | 113.7 | T252 C265 A266 | T252-S255 PolarHBondContact N-OG 3.38Å; T252-S255 PolarHBondContact O-N 2.73Å; T252-S255 PolarHBondContact O-OG 3Å; T252-S255 PolarHBondContact OG1-OG 3.2Å; T252-S255 VanDerWaalsContact OG1-OG 3.14Å; S255-C265 CarbonylContact O-C 3.41Å; S255-C265 VanDerWaalsContact O-CA 3.24Å; S255-C265 WeakPolarHBondContact O-CA 3.44Å; S255-A266 PolarHBondContact O-N 3.02Å |
| 256 | A | 88.4 | Confident | 88.1 | Confident | 12 Ų | 12 | 61.1 Ų | 61.1 | 10% | 0.099 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 133 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | F242 L251 T252 W263 | F242-A256 HydrophobicContact CE1-CB 3.78Å; F242-A256 HydrophobicContact CE2-CB 3.99Å; F242-A256 HydrophobicContact CZ-CB 3.18Å; L251-A256 HydrophobicContact CB-CB 4.05Å; L251-A256 HydrophobicContact CD1-CB 4.05Å; L251-A256 HydrophobicContact CG-CB 4.5Å; T252-A256 PolarHBondContact O-N 3.17Å; T252-A256 VanDerWaalsContact O-N 3.16Å; A256-W263 HydrophobicContact CB-CE3 4.05Å; A256-W263 HydrophobicContact CB-CZ3 4.27Å |
| 257 | I | 89.4 | Confident | 88.1 | Confident | 33 Ų | 33 | 62.2 Ų | 62.2 | 17% | 0.169 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 133.6 | 174.8 | -59 | 179.2 | 0 | 0 | 0 | 107.8 | W263 C264 A266 F269 | I257-W263 WeakPolarHBondContact O-CA 3.43Å; I257-C264 PolarHBondContact N-O 3.38Å; I257-C264 PolarHBondContact O-N 3.46Å; I257-C264 PolarHBondContact O-SG 3.23Å; I257-C264 VanDerWaalsContact O-SG 3.41Å; I257-A266 HydrophobicContact CD1-CB 4.17Å; I257-F269 HydrophobicContact CB-CB 4.31Å; I257-F269 HydrophobicContact CB-CD2 4.23Å; I257-F269 HydrophobicContact CB-CG 4.19Å; I257-F269 HydrophobicContact CD1-CB 3.56Å; I257-F269 HydrophobicContact CD1-CD1 3.37Å; I257-F269 HydrophobicContact CD1-CD2 4.29Å; I257-F269 HydrophobicContact CD1-CE1 4.1Å; I257-F269 HydrophobicContact CD1-CG 3.48Å; I257-F269 VanDerWaalsContact CD1-CG 3.48Å; I257-F269 HydrophobicContact CG1-CB 4.45Å; I257-F269 HydrophobicContact CG1-CG 4.41Å; I257-F269 HydrophobicContact CG2-CB 4.42Å; I257-F269 HydrophobicContact CG2-CD1 4.24Å; I257-F269 HydrophobicContact CG2-CD2 3.47Å; I257-F269 VanDerWaalsContact CG2-CD2 3.47Å; I257-F269 HydrophobicContact CG2-CE1 4.36Å; I257-F269 HydrophobicContact CG2-CE2 3.66Å; I257-F269 HydrophobicContact CG2-CG 3.79Å; I257-F269 HydrophobicContact CG2-CZ 4.11Å |
| 258 | F | 88.3 | Confident | 87.9 | Confident | 83 Ų | 83 | 61.5 Ų | 61.5 | 36% | 0.364 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 116.1 | 177 | -168 | -115.2 | 0 | 0 | 0 | 109.7 | S262 W263 | F258-S262 WeakPolarHBondContact CD2-O 3.13Å; F258-W263 HydrophobicContact CB-CD2 4.38Å; F258-W263 HydrophobicContact CB-CE3 3.94Å; F258-W263 HydrophobicContact CB-CH2 3.74Å; F258-W263 HydrophobicContact CB-CZ2 4.2Å; F258-W263 HydrophobicContact CB-CZ3 3.64Å; F258-W263 AromaticContact CD2-CD2 3.69Å; F258-W263 HydrophobicContact CD2-CD2 3.69Å; F258-W263 AromaticContact CD2-CE2 3.47Å; F258-W263 VanDerWaalsContact CD2-CE2 3.47Å; F258-W263 HydrophobicContact CD2-CE3 4.13Å; F258-W263 HydrophobicContact CD2-CG 4.14Å; F258-W263 HydrophobicContact CD2-CH2 4.1Å; F258-W263 AromaticContact CD2-CZ2 3.67Å; F258-W263 HydrophobicContact CD2-CZ2 3.67Å; F258-W263 HydrophobicContact CD2-CZ3 4.35Å; F258-W263 AromaticContact CD2-NE1 3.81Å; F258-W263 HydrophobicContact CE2-CZ2 4.31Å; F258-W263 AromaticContact CE2-NE1 3.93Å; F258-W263 HydrophobicContact CG-CD2 4.5Å; F258-W263 HydrophobicContact CG-CH2 4.16Å; F258-W263 HydrophobicContact CG-CZ2 4.12Å; F258-W263 HydrophobicContact CG-CZ3 4.4Å |
| 259 | Q | 85 | Confident | 87.7 | Confident | 34 Ų | 34 | 57.9 Ų | 57.9 | 16% | 0.159 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 134.3 | -178.2 | -176.4 | 177.7 | 24 | 0 | 0 | 110.4 | G261 S262 F269 | Q259-G261 PolarHBondContact O-N 3.16Å; Q259-G261 VanDerWaalsContact O-N 3.12Å; Q259-S262 PolarHBondContact N-O 3.13Å; Q259-S262 PolarHBondContact O-N 3.31Å; Q259-S262 PolarHBondContact O-OG 2.9Å; Q259-F269 HydrophobicContact CB-CD2 4.35Å; Q259-F269 HydrophobicContact CB-CE2 4.3Å; Q259-F269 HydrophobicContact CG-CE2 4.33Å |
| 260 | N | 83.8 | Confident | 87.4 | Confident | 147 Ų | 147 | 59.4 Ų | 59.4 | 79% | 0.786 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.8 | 35.6 | 176.6 | -64.7 | 45.5 | 0 | 0 | 0 | 114 | S262 | N260-S262 VanDerWaalsContact C-N 3.32Å; N260-S262 PolarHBondContact O-N 3.49Å |
| 261 | G | 84.9 | Confident | 87 | Confident | 63 Ų | 63 | 62.4 Ų | 62.4 | 65% | 0.649 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.9 | 5.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | Q259 | Q259-G261 PolarHBondContact O-N 3.16Å; Q259-G261 VanDerWaalsContact O-N 3.12Å |
| 262 | S | 87.8 | Confident | 86 | Confident | 46 Ų | 46 | 64.9 Ų | 64.9 | 32% | 0.322 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 158.7 | 179.4 | 74.3 | 0 | 0 | 0 | 0 | 112.3 | S245 F258 Q259 N260 | S245-S262 PolarHBondContact OG-OG 2.89Å; F258-S262 WeakPolarHBondContact CD2-O 3.13Å; Q259-S262 PolarHBondContact N-O 3.13Å; Q259-S262 PolarHBondContact O-N 3.31Å; Q259-S262 PolarHBondContact O-OG 2.9Å; N260-S262 VanDerWaalsContact C-N 3.32Å; N260-S262 PolarHBondContact O-N 3.49Å |
| 263 | W | 90.2 | Very high | 85 | Confident | 24 Ų | 24 | 64 Ų | 64 | 9% | 0.091 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 128.8 | 177.2 | -67.7 | 100.4 | 0 | 0 | 0 | 110.8 | I89 L232 F242 C244 S245 L251 A256 I257 F258 | I89-W263 HydrophobicContact CD1-CH2 3.56Å; I89-W263 HydrophobicContact CD1-CZ2 4.36Å; I89-W263 HydrophobicContact CD1-CZ3 4.44Å; I89-W263 HydrophobicContact CG1-CH2 4.46Å; L232-W263 HydrophobicContact CD1-CH2 4.34Å; L232-W263 HydrophobicContact CD1-CZ2 3.52Å; L232-W263 HydrophobicContact CD2-CH2 4.2Å; L232-W263 HydrophobicContact CD2-CZ2 4.19Å; L232-W263 HydrophobicContact CG-CZ2 4.29Å; F242-W263 HydrophobicContact CD2-CD2 4.36Å; F242-W263 HydrophobicContact CD2-CG 4.23Å; F242-W263 HydrophobicContact CE2-CB 4.35Å; F242-W263 AromaticContact CE2-CD2 3.54Å; F242-W263 HydrophobicContact CE2-CD2 3.54Å; F242-W263 AromaticContact CE2-CE3 3.66Å; F242-W263 HydrophobicContact CE2-CE3 3.66Å; F242-W263 AromaticContact CE2-CG 3.84Å; F242-W263 HydrophobicContact CE2-CG 3.84Å; F242-W263 HydrophobicContact CE2-CZ3 4.22Å; F242-W263 HydrophobicContact CZ-CD2 4.45Å; F242-W263 HydrophobicContact CZ-CE3 4.15Å; F242-W263 HydrophobicContact CZ-CZ3 4.41Å; C244-W263 CarbonylContact C-O 3.53Å; C244-W263 WeakPolarHBondContact CA-O 3.44Å; S245-W263 PolarHBondContact N-O 3.03Å; S245-W263 PolarHBondContact OG-O 3.02Å; L251-W263 HydrophobicContact CD1-CB 3.62Å; A256-W263 HydrophobicContact CB-CE3 4.05Å; A256-W263 HydrophobicContact CB-CZ3 4.27Å; I257-W263 WeakPolarHBondContact O-CA 3.43Å; F258-W263 HydrophobicContact CB-CD2 4.38Å; F258-W263 HydrophobicContact CB-CE3 3.94Å; F258-W263 HydrophobicContact CB-CH2 3.74Å; F258-W263 HydrophobicContact CB-CZ2 4.2Å; F258-W263 HydrophobicContact CB-CZ3 3.64Å; F258-W263 AromaticContact CD2-CD2 3.69Å; F258-W263 HydrophobicContact CD2-CD2 3.69Å; F258-W263 AromaticContact CD2-CE2 3.47Å; F258-W263 VanDerWaalsContact CD2-CE2 3.47Å; F258-W263 HydrophobicContact CD2-CE3 4.13Å; F258-W263 HydrophobicContact CD2-CG 4.14Å; F258-W263 HydrophobicContact CD2-CH2 4.1Å; F258-W263 AromaticContact CD2-CZ2 3.67Å; F258-W263 HydrophobicContact CD2-CZ2 3.67Å; F258-W263 HydrophobicContact CD2-CZ3 4.35Å; F258-W263 AromaticContact CD2-NE1 3.81Å; F258-W263 HydrophobicContact CE2-CZ2 4.31Å; F258-W263 AromaticContact CE2-NE1 3.93Å; F258-W263 HydrophobicContact CG-CD2 4.5Å; F258-W263 HydrophobicContact CG-CH2 4.16Å; F258-W263 HydrophobicContact CG-CZ2 4.12Å; F258-W263 HydrophobicContact CG-CZ3 4.4Å |
| 264 | C | 91.1 | Very high | 83.9 | Confident | 4 Ų | 4 | 66.1 Ų | 66.1 | 3% | 0.027 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 157.1 | 176.1 | 64.1 | 0 | 0 | 0 | 0 | 111.7 | I246 I257 | I246-C264 HydrophobicContact CD1-CB 4.26Å; I257-C264 PolarHBondContact N-O 3.38Å; I257-C264 PolarHBondContact O-N 3.46Å; I257-C264 PolarHBondContact O-SG 3.23Å; I257-C264 VanDerWaalsContact O-SG 3.41Å |
| 265 | C | 92.3 | Very high | 82.7 | Confident | 18 Ų | 18 | 63.3 Ų | 63.3 | 12% | 0.122 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 154.3 | 173.4 | 69.3 | 0 | 0 | 0 | 0 | 110.4 | C244 L251 S255 L267 H268 F269 | C244-C265 HydrophobicContact CB-CB 4.3Å; C244-C265 PolarHBondContact SG-N 3.06Å; L251-C265 HydrophobicContact CD2-CB 3.59Å; S255-C265 CarbonylContact O-C 3.41Å; S255-C265 VanDerWaalsContact O-CA 3.24Å; S255-C265 WeakPolarHBondContact O-CA 3.44Å; C265-L267 PolarHBondContact O-N 3.03Å; C265-L267 VanDerWaalsContact O-N 3.12Å; C265-H268 PolarHBondContact O-N 3.4Å; C265-H268 VanDerWaalsContact SG-CG 3.57Å; C265-H268 PolarHBondContact SG-N 3.23Å; C265-H268 VanDerWaalsContact SG-N 3.41Å; C265-H268 PolarHBondContact SG-ND1 3.31Å; C265-F269 PolarHBondContact O-N 3.5Å |
| 266 | A | 89.3 | Confident | 81.3 | Confident | 47 Ų | 47 | 65.5 Ų | 65.5 | 39% | 0.388 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -54 | -34 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | S255 I257 R270 | S255-A266 PolarHBondContact O-N 3.02Å; I257-A266 HydrophobicContact CD1-CB 4.17Å; A266-R270 WeakPolarHBondContact O-CB 3.15Å; A266-R270 PolarHBondContact O-N 2.93Å; A266-R270 VanDerWaalsContact O-N 3.11Å |
| 267 | L | 89.9 | Confident | 79.5 | Confident | 94 Ų | 94 | 71 Ų | 71 | 49% | 0.492 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.7 | -51.8 | 175.8 | -171.8 | 67.9 | 0 | 0 | 0 | 111 | C265 R270 Y271 | C265-L267 PolarHBondContact O-N 3.03Å; C265-L267 VanDerWaalsContact O-N 3.12Å; L267-R270 PolarHBondContact O-N 3.13Å; L267-Y271 HydrophobicContact CD1-CD2 4.23Å; L267-Y271 HydrophobicContact CD1-CE2 3.44Å; L267-Y271 VanDerWaalsContact CD1-CE2 3.44Å; L267-Y271 HydrophobicContact CD2-CE2 4.41Å; L267-Y271 HydrophobicContact CG-CD2 4.02Å; L267-Y271 HydrophobicContact CG-CE2 3.61Å; L267-Y271 WeakPolarHBondContact O-CD2 3.39Å; L267-Y271 PolarHBondContact O-N 3.01Å |
| 268 | H | 89.9 | Confident | 77.6 | Confident | 42 Ų | 42 | 75.4 Ų | 75.4 | 19% | 0.194 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -71.2 | -32.4 | 179.1 | -74.6 | 137.4 | 0 | 0 | 0 | 113.9 | C244 I246 C247 C265 R270 Y271 N272 | C244-H268 PolarHBondContact SG-ND1 2.85Å; C244-H268 VanDerWaalsContact SG-ND1 3.35Å; I246-H268 HydrophobicContact CB-CB 4.43Å; I246-H268 HydrophobicContact CD1-CB 3.53Å; C247-H268 VanDerWaalsContact CB-CE1 3.48Å; C247-H268 WeakPolarHBondContact CB-CE1 3.43Å; C247-H268 PolarHBondContact SG-CE1 3.07Å; C265-H268 PolarHBondContact O-N 3.4Å; C265-H268 VanDerWaalsContact SG-CG 3.57Å; C265-H268 PolarHBondContact SG-N 3.23Å; C265-H268 VanDerWaalsContact SG-N 3.41Å; C265-H268 PolarHBondContact SG-ND1 3.31Å; H268-R270 VanDerWaalsContact C-N 3.27Å; H268-R270 PolarHBondContact O-N 2.85Å; H268-Y271 PolarHBondContact O-N 3.35Å; H268-N272 VanDerWaalsContact O-CB 3.32Å; H268-N272 WeakPolarHBondContact O-CB 3.07Å; H268-N272 PolarHBondContact O-N 3.08Å |
| 269 | F | 88.2 | Confident | 75.1 | Confident | 33 Ų | 33 | 82.8 Ų | 82.8 | 15% | 0.145 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -58.7 | -44.5 | 171.8 | -177.5 | -108.4 | 0 | 0 | 0 | 110.7 | P86 I257 Q259 C265 Y271 L273 | P86-F269 HydrophobicContact CB-CZ 4.05Å; P86-F269 HydrophobicContact CG-CZ 4.03Å; I257-F269 HydrophobicContact CB-CB 4.31Å; I257-F269 HydrophobicContact CB-CD2 4.23Å; I257-F269 HydrophobicContact CB-CG 4.19Å; I257-F269 HydrophobicContact CD1-CB 3.56Å; I257-F269 HydrophobicContact CD1-CD1 3.37Å; I257-F269 HydrophobicContact CD1-CD2 4.29Å; I257-F269 HydrophobicContact CD1-CE1 4.1Å; I257-F269 HydrophobicContact CD1-CG 3.48Å; I257-F269 VanDerWaalsContact CD1-CG 3.48Å; I257-F269 HydrophobicContact CG1-CB 4.45Å; I257-F269 HydrophobicContact CG1-CG 4.41Å; I257-F269 HydrophobicContact CG2-CB 4.42Å; I257-F269 HydrophobicContact CG2-CD1 4.24Å; I257-F269 HydrophobicContact CG2-CD2 3.47Å; I257-F269 VanDerWaalsContact CG2-CD2 3.47Å; I257-F269 HydrophobicContact CG2-CE1 4.36Å; I257-F269 HydrophobicContact CG2-CE2 3.66Å; I257-F269 HydrophobicContact CG2-CG 3.79Å; I257-F269 HydrophobicContact CG2-CZ 4.11Å; Q259-F269 HydrophobicContact CB-CD2 4.35Å; Q259-F269 HydrophobicContact CB-CE2 4.3Å; Q259-F269 HydrophobicContact CG-CE2 4.33Å; C265-F269 PolarHBondContact O-N 3.5Å; F269-Y271 PolarHBondContact O-N 3.37Å; F269-L273 HydrophobicContact CD1-CD1 3.73Å; F269-L273 HydrophobicContact CE1-CD1 3.44Å; F269-L273 VanDerWaalsContact CE1-CD1 3.44Å; F269-L273 HydrophobicContact CE1-CG 4.38Å; F269-L273 HydrophobicContact CE2-CD1 4.34Å; F269-L273 HydrophobicContact CE2-CG 4.47Å; F269-L273 HydrophobicContact CG-CD1 4.33Å; F269-L273 HydrophobicContact CZ-CD1 3.76Å; F269-L273 HydrophobicContact CZ-CD2 4.4Å; F269-L273 HydrophobicContact CZ-CG 4.28Å; F269-L273 WeakPolarHBondContact O-CD1 3.26Å; F269-L273 VanDerWaalsContact O-CG 3.27Å; F269-L273 WeakPolarHBondContact O-CG 3.37Å; F269-L273 PolarHBondContact O-N 3.4Å; F269-L273 VanDerWaalsContact O-N 3.12Å |
| 270 | R | 86.8 | Confident | 74.6 | Confident | 158 Ų | 158 | 85.3 Ų | 85.3 | 60% | 0.596 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -62.9 | -42 | 178.6 | -166.7 | 167.7 | 68.5 | 171.7 | 3.6 | 112.2 | A266 L267 H268 | A266-R270 WeakPolarHBondContact O-CB 3.15Å; A266-R270 PolarHBondContact O-N 2.93Å; A266-R270 VanDerWaalsContact O-N 3.11Å; L267-R270 PolarHBondContact O-N 3.13Å; H268-R270 VanDerWaalsContact C-N 3.27Å; H268-R270 PolarHBondContact O-N 2.85Å |
| 271 | Y | 84 | Confident | 74.1 | Confident | 126 Ų | 126 | 82 Ų | 82 | 49% | 0.494 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -77.2 | -34.9 | 178.9 | -67.7 | -61.6 | 0 | 0 | 0 | 114.2 | L267 H268 F269 L273 D274 | L267-Y271 HydrophobicContact CD1-CD2 4.23Å; L267-Y271 HydrophobicContact CD1-CE2 3.44Å; L267-Y271 VanDerWaalsContact CD1-CE2 3.44Å; L267-Y271 HydrophobicContact CD2-CE2 4.41Å; L267-Y271 HydrophobicContact CG-CD2 4.02Å; L267-Y271 HydrophobicContact CG-CE2 3.61Å; L267-Y271 WeakPolarHBondContact O-CD2 3.39Å; L267-Y271 PolarHBondContact O-N 3.01Å; H268-Y271 PolarHBondContact O-N 3.35Å; F269-Y271 PolarHBondContact O-N 3.37Å; Y271-L273 VanDerWaalsContact C-N 3.33Å; Y271-D274 WeakPolarHBondContact O-CB 3.47Å; Y271-D274 PolarHBondContact O-N 3.28Å |
| 272 | N | 69.6 | Low | 73.5 | Confident | 53 Ų | 53 | 83.1 Ų | 83.1 | 28% | 0.283 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -75.1 | -23.1 | 178.6 | -95.3 | -15.1 | 0 | 0 | 0 | 113 | I246 H268 D274 I275 I276 | I246-N272 WeakPolarHBondContact CD1-ND2 3.44Å; H268-N272 VanDerWaalsContact O-CB 3.32Å; H268-N272 WeakPolarHBondContact O-CB 3.07Å; H268-N272 PolarHBondContact O-N 3.08Å; N272-D274 PolarHBondContact O-N 3.1Å; N272-I275 PolarHBondContact O-N 3.37Å; N272-I275 VanDerWaalsContact O-N 3.16Å; N272-I276 VanDerWaalsContact O-CG1 3.32Å; N272-I276 WeakPolarHBondContact O-CG1 3.22Å; N272-I276 PolarHBondContact O-N 3.36Å; N272-I276 VanDerWaalsContact O-N 3.13Å |
| 273 | L | 65.2 | Low | 72.7 | Confident | 58 Ų | 58 | 85.2 Ų | 85.2 | 30% | 0.304 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -58.6 | -31.2 | 168.5 | -81.7 | 161.9 | 0 | 0 | 0 | 111.7 | F269 Y271 I275 N277 | F269-L273 HydrophobicContact CD1-CD1 3.73Å; F269-L273 HydrophobicContact CE1-CD1 3.44Å; F269-L273 VanDerWaalsContact CE1-CD1 3.44Å; F269-L273 HydrophobicContact CE1-CG 4.38Å; F269-L273 HydrophobicContact CE2-CD1 4.34Å; F269-L273 HydrophobicContact CE2-CG 4.47Å; F269-L273 HydrophobicContact CG-CD1 4.33Å; F269-L273 HydrophobicContact CZ-CD1 3.76Å; F269-L273 HydrophobicContact CZ-CD2 4.4Å; F269-L273 HydrophobicContact CZ-CG 4.28Å; F269-L273 WeakPolarHBondContact O-CD1 3.26Å; F269-L273 VanDerWaalsContact O-CG 3.27Å; F269-L273 WeakPolarHBondContact O-CG 3.37Å; F269-L273 PolarHBondContact O-N 3.4Å; F269-L273 VanDerWaalsContact O-N 3.12Å; Y271-L273 VanDerWaalsContact C-N 3.33Å; L273-I275 VanDerWaalsContact C-N 3.3Å; L273-I275 PolarHBondContact O-N 3.2Å; L273-N277 WeakPolarHBondContact O-CB 3.46Å; L273-N277 PolarHBondContact O-N 2.94Å |
| 274 | D | 54 | Low | 71.6 | Confident | 105 Ų | 105 | 89.1 Ų | 89.1 | 56% | 0.561 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -75.2 | -20.6 | 179.6 | -58 | -31.4 | 0 | 0 | 0 | 112.4 | Y271 N272 V278 | Y271-D274 WeakPolarHBondContact O-CB 3.47Å; Y271-D274 PolarHBondContact O-N 3.28Å; N272-D274 PolarHBondContact O-N 3.1Å; D274-V278 WeakPolarHBondContact O-CG2 3.38Å |
| 275 | I | 54.6 | Low | 70.3 | Confident | 115 Ų | 115 | 94.7 Ų | 94.7 | 59% | 0.59 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -89.5 | -33.1 | 176.6 | -55.5 | -178.6 | 0 | 0 | 0 | 111 | N272 L273 | N272-I275 PolarHBondContact O-N 3.37Å; N272-I275 VanDerWaalsContact O-N 3.16Å; L273-I275 VanDerWaalsContact C-N 3.3Å; L273-I275 PolarHBondContact O-N 3.2Å |
| 276 | I | 55.2 | Low | 68.7 | Low | 80 Ų | 80 | 100.2 Ų | 100.2 | 41% | 0.41 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -82.9 | -22.3 | -175.5 | -59 | 164.9 | 0 | 0 | 0 | 112 | N272 | N272-I276 VanDerWaalsContact O-CG1 3.32Å; N272-I276 WeakPolarHBondContact O-CG1 3.22Å; N272-I276 PolarHBondContact O-N 3.36Å; N272-I276 VanDerWaalsContact O-N 3.13Å |
| 277 | N | 50.5 | Low | 67.2 | Low | 129 Ų | 129 | 104.3 Ų | 104.3 | 69% | 0.69 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | 8.4 | 176.4 | -77.9 | -17.6 | 0 | 0 | 0 | 114.4 | L273 | L273-N277 WeakPolarHBondContact O-CB 3.46Å; L273-N277 PolarHBondContact O-N 2.94Å |
| 278 | V | 48.8 | Very low | 65.3 | Low | 125 Ų | 125 | 105.2 Ų | 105.2 | 76% | 0.758 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.7 | 2.7 | -179.9 | 179.8 | 0 | 0 | 0 | 0 | 112.5 | D274 | D274-V278 WeakPolarHBondContact O-CG2 3.38Š|
| 279 | Q | 36.5 | Very low | 63 | Low | 238 Ų | 238 | 110.9 Ų | 110.9 | 100% | 1.112 | 54% | 0.54 | S | S | * | . | trans | -108 | 0 | 171.1 | -80.7 | -179.1 | -28.5 | 0 | 0 | 111.7 |
Retrieved 279 of 279 residues in 87.1 ms
(Link to these results)