| 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 | L | 28.7 | Very low | 28.1 | Very low | 212 Ų | 212 | 150.5 Ų | 150.5 | 100% | 1.11 | 82% | 0.817 | S | S | * | * | 0 | 110.4 | 0 | -93.5 | 159.7 | 0 | 0 | 0 | 107.7 | |||||
| 2 | N | 28.9 | Very low | 28.5 | Very low | 143 Ų | 143 | 147.6 Ų | 147.6 | 77% | 0.765 | 81% | 0.812 | S | S | * | * | trans | 58.6 | 141.9 | 163 | -52.3 | 0.2 | 0 | 0 | 0 | 118.4 | ||||
| 3 | L | 28.3 | Very low | 28.4 | Very low | 156 Ų | 156 | 150 Ų | 150 | 82% | 0.817 | 81% | 0.814 | S | S | * | * | cis | -157.5 | 170.3 | -23.8 | -121.2 | 167.1 | 0 | 0 | 0 | 108.4 | ||||
| 4 | L | 30.2 | Very low | 28.6 | Very low | 143 Ų | 143 | 151.4 Ų | 151.4 | 75% | 0.749 | 81% | 0.809 | S | S | * | * | trans | -68.1 | 161.9 | -176.3 | -84.7 | 167.3 | 0 | 0 | 0 | 113.5 | ||||
| 5 | P | 32.5 | Very low | 28.8 | Very low | 125 Ų | 125 | 148.5 Ų | 148.5 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | -146 | 179.9 | 55.4 | 42 | -21.2 | 0 | 0 | 0 | 119.5 | |||||
| 6 | V | 30.3 | Very low | 29 | Very low | 126 Ų | 126 | 149.6 Ų | 149.6 | 76% | 0.764 | 81% | 0.81 | S | S | * | * | trans | -79.5 | 147.4 | -179.6 | 176 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 7 | M | 25.7 | Very low | 29.3 | Very low | 180 Ų | 180 | 146.9 Ų | 146.9 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | trans | -141.2 | 150.4 | 159.2 | -66.2 | -166.9 | 74.2 | 0 | 0 | 110.7 | ||||
| 8 | D | 23.5 | Very low | 30 | Very low | 160 Ų | 160 | 143.1 Ų | 143.1 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | trans | -52.1 | 143.7 | -168.8 | -82.2 | -57.5 | 0 | 0 | 0 | 117.8 | ||||
| 9 | E | 26.9 | Very low | 30.8 | Very low | 198 Ų | 198 | 140.3 Ų | 140.3 | 93% | 0.925 | 77% | 0.77 | S | S | * | * | trans | -89.1 | 91.4 | 154.1 | -76.3 | -160.2 | 129.5 | 0 | 0 | 110.5 | D11 | E9-D11 PolarHBondContact O-N 3.45Š| ||
| 10 | S | 27.3 | Very low | 32 | Very low | 106 Ų | 106 | 141.2 Ų | 141.2 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | trans | -82.8 | 102.6 | 171.6 | 62.7 | 0 | 0 | 0 | 0 | 111.5 | P12 | S10-P12 WeakPolarHBondContact O-CD 3.5Š| ||
| 11 | D | 27.3 | Very low | 33.3 | Very low | 106 Ų | 106 | 137.3 Ų | 137.3 | 57% | 0.567 | 74% | 0.736 | S | S | * | * | trans | -50.5 | 113.9 | -177.6 | -176.1 | 18.4 | 0 | 0 | 0 | 113.8 | E9 Q13 K14 | E9-D11 PolarHBondContact O-N 3.45Å; D11-Q13 PolarHBondContact O-N 3.36Å; D11-K14 IonicContact OD1-NZ 2.59Å; D11-K14 IonicContact OD2-NZ 3.7Å; D11-K14 PolarHBondContact OD2-NZ 3.22Å | ||
| 12 | P | 31.9 | Very low | 34.9 | Very low | 116 Ų | 116 | 131.1 Ų | 131.1 | 75% | 0.753 | 71% | 0.709 | S | S | * | * | trans | -79.1 | 80.5 | -175.8 | 32.4 | -35.2 | 0 | 0 | 0 | 112.4 | S10 | S10-P12 WeakPolarHBondContact O-CD 3.5Š| ||
| 13 | Q | 28.3 | Very low | 36.5 | Very low | 179 Ų | 179 | 130.8 Ų | 130.8 | 84% | 0.836 | 70% | 0.702 | S | S | * | * | trans | 52.9 | 86.5 | 161.1 | -65 | -174.8 | -27.1 | 0 | 0 | 116.2 | D11 S15 | D11-Q13 PolarHBondContact O-N 3.36Å; Q13-S15 PolarHBondContact O-N 3.48Å | ||
| 14 | K | 30.1 | Very low | 38.5 | Very low | 170 Ų | 170 | 125.9 Ų | 125.9 | 74% | 0.739 | 68% | 0.675 | S | S | * | * | trans | -56.6 | 104.1 | 151 | -64.9 | -178.5 | -179.7 | 77.4 | 0 | 109.1 | D11 | D11-K14 IonicContact OD1-NZ 2.59Å; D11-K14 IonicContact OD2-NZ 3.7Å; D11-K14 PolarHBondContact OD2-NZ 3.22Å | ||
| 15 | S | 32.6 | Very low | 40.6 | Very low | 107 Ų | 107 | 120 Ų | 120 | 75% | 0.748 | 64% | 0.644 | S | S | * | * | trans | -60.2 | 139.3 | 170.2 | 58.9 | 0 | 0 | 0 | 0 | 110.2 | Q13 C17 | Q13-S15 PolarHBondContact O-N 3.48Å; S15-C17 PolarHBondContact O-N 3.39Å | ||
| 16 | D | 31.1 | Very low | 42.3 | Very low | 167 Ų | 167 | 118.4 Ų | 118.4 | 89% | 0.893 | 64% | 0.636 | S | S | * | * | trans | -33.2 | 119.5 | -177.7 | -93.6 | -48.5 | 0 | 0 | 0 | 113.7 | D18 | D16-D18 PolarHBondContact O-N 3.23Š| ||
| 17 | C | 34.9 | Very low | 44.3 | Very low | 104 Ų | 104 | 115.2 Ų | 115.2 | 70% | 0.703 | 63% | 0.629 | S | S | * | * | trans | -72.7 | 119.2 | 174.2 | 56.6 | 0 | 0 | 0 | 0 | 109.4 | S15 T19 | S15-C17 PolarHBondContact O-N 3.39Å; C17-T19 VanDerWaalsContact C-N 3.31Å; C17-T19 WeakPolarHBondContact O-CG2 3.33Å; C17-T19 PolarHBondContact O-N 3.46Å | ||
| 18 | D | 41.8 | Very low | 47.1 | Very low | 78 Ų | 78 | 107 Ų | 107 | 42% | 0.417 | 59% | 0.589 | S | S | . | * | trans | -73.2 | 83.9 | -175.3 | -156.9 | -13.6 | 0 | 0 | 0 | 110.5 | D16 R20 W21 | D16-D18 PolarHBondContact O-N 3.23Å; D18-R20 PolarHBondContact O-N 3.45Å; D18-R20 WeakPolarHBondContact OD1-CD 3.5Å; D18-R20 WeakPolarHBondContact OD1-CG 3.29Å; D18-R20 IonicContact OD1-CZ 2.66Å; D18-R20 IonicContact OD1-NE 2.69Å; D18-R20 PolarHBondContact OD1-NE 3.34Å; D18-W21 HydrophobicContact CB-CZ2 4.43Å; D18-W21 WeakPolarHBondContact OD2-CZ2 3.4Å | ||
| 19 | T | 44.7 | Very low | 49.9 | Very low | 90 Ų | 90 | 100.3 Ų | 100.3 | 55% | 0.552 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -1.8 | -169.1 | 45.6 | 0 | 0 | 0 | 0 | 115.6 | C17 | C17-T19 VanDerWaalsContact C-N 3.31Å; C17-T19 WeakPolarHBondContact O-CG2 3.33Å; C17-T19 PolarHBondContact O-N 3.46Å |
| 20 | R | 55.3 | Low | 52.5 | Low | 157 Ų | 157 | 95.4 Ų | 95.4 | 59% | 0.592 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -71 | -35 | -178.2 | -57.5 | 175.2 | -162.9 | -170.3 | 4.3 | 113.2 | D18 Q23 Q24 | D18-R20 PolarHBondContact O-N 3.45Å; D18-R20 WeakPolarHBondContact OD1-CD 3.5Å; D18-R20 WeakPolarHBondContact OD1-CG 3.29Å; D18-R20 IonicContact OD1-CZ 2.66Å; D18-R20 IonicContact OD1-NE 2.69Å; D18-R20 PolarHBondContact OD1-NE 3.34Å; R20-Q23 PolarHBondContact O-N 3.01Å; R20-Q24 PolarHBondContact O-N 3.19Å |
| 21 | W | 59.9 | Low | 55.1 | Low | 61 Ų | 61 | 94.4 Ų | 94.4 | 23% | 0.231 | 52% | 0.521 | C | S | . | . | H | α-helix | trans | -74.1 | -40.3 | -172.7 | -36.2 | 133.6 | 0 | 0 | 0 | 113.2 | D18 Q23 Q24 L25 L48 | D18-W21 HydrophobicContact CB-CZ2 4.43Å; D18-W21 WeakPolarHBondContact OD2-CZ2 3.4Å; W21-Q23 PolarHBondContact O-N 2.99Å; W21-Q24 PolarHBondContact O-N 2.8Å; W21-Q24 VanDerWaalsContact O-N 3.1Å; W21-L25 WeakPolarHBondContact O-CG 3.34Å; W21-L25 PolarHBondContact O-N 3.11Å; W21-L48 HydrophobicContact CB-CB 4.48Å; W21-L48 HydrophobicContact CB-CD1 4.44Å |
| 22 | P | 61.9 | Low | 57.9 | Low | 82 Ų | 82 | 89.3 Ų | 89.3 | 53% | 0.532 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -53.4 | -38.6 | 168.6 | -29.4 | 36.8 | 0 | 0 | 0 | 113.7 | L25 S26 | P22-L25 PolarHBondContact O-N 3.43Å; P22-S26 PolarHBondContact O-N 3.44Å; P22-S26 PolarHBondContact O-OG 3Å |
| 23 | Q | 62.2 | Low | 60.5 | Low | 135 Ų | 135 | 86.2 Ų | 86.2 | 63% | 0.631 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -66.3 | -39.7 | 176.7 | -63.3 | 177 | -9.7 | 0 | 0 | 112 | R20 W21 L25 S26 G27 | R20-Q23 PolarHBondContact O-N 3.01Å; W21-Q23 PolarHBondContact O-N 2.99Å; Q23-L25 VanDerWaalsContact C-N 3.32Å; Q23-L25 PolarHBondContact O-N 3Å; Q23-S26 WeakPolarHBondContact CA-OG 3.46Å; Q23-S26 PolarHBondContact O-N 2.76Å; Q23-S26 PolarHBondContact O-OG 2.82Å; Q23-G27 PolarHBondContact O-N 3.09Å |
| 24 | Q | 69.2 | Low | 63.3 | Low | 53 Ų | 53 | 84.8 Ų | 84.8 | 25% | 0.248 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -67.6 | -31.5 | 173.4 | -64.3 | -158.2 | -91.2 | 0 | 0 | 112.8 | R20 W21 G27 L48 A74 | R20-Q24 PolarHBondContact O-N 3.19Å; W21-Q24 PolarHBondContact O-N 2.8Å; W21-Q24 VanDerWaalsContact O-N 3.1Å; Q24-G27 PolarHBondContact O-N 3.18Å; Q24-L48 HydrophobicContact CB-CD1 4.28Å; Q24-A74 PolarHBondContact NE2-O 3.29Å |
| 25 | L | 75.1 | Confident | 66 | Low | 20 Ų | 20 | 83.9 Ų | 83.9 | 11% | 0.105 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -71.3 | -35.7 | 173.9 | -69 | 168.7 | 0 | 0 | 0 | 112.4 | W21 P22 Q23 G27 L28 V44 E45 L48 | W21-L25 WeakPolarHBondContact O-CG 3.34Å; W21-L25 PolarHBondContact O-N 3.11Å; P22-L25 PolarHBondContact O-N 3.43Å; Q23-L25 VanDerWaalsContact C-N 3.32Å; Q23-L25 PolarHBondContact O-N 3Å; L25-G27 PolarHBondContact O-N 3.08Å; L25-L28 HydrophobicContact CD2-CD1 3.9Å; L25-L28 WeakPolarHBondContact O-CB 3.2Å; L25-L28 WeakPolarHBondContact O-CG 3.39Å; L25-L28 PolarHBondContact O-N 3.01Å; L25-L28 VanDerWaalsContact O-N 3.13Å; L25-V44 HydrophobicContact CD2-CB 4.36Å; L25-V44 HydrophobicContact CD2-CG1 3.6Å; L25-E45 HydrophobicContact CD1-CG 3.76Å; L25-L48 HydrophobicContact CD2-CD1 3.92Å; L25-L48 HydrophobicContact CG-CD1 3.97Å |
| 26 | S | 67.4 | Low | 68.7 | Low | 92 Ų | 92 | 79 Ų | 79 | 64% | 0.643 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -66.9 | -16.1 | 172.7 | 57 | 0 | 0 | 0 | 0 | 113.9 | P22 Q23 L28 | P22-S26 PolarHBondContact O-N 3.44Å; P22-S26 PolarHBondContact O-OG 3Å; Q23-S26 WeakPolarHBondContact CA-OG 3.46Å; Q23-S26 PolarHBondContact O-N 2.76Å; Q23-S26 PolarHBondContact O-OG 2.82Å; S26-L28 VanDerWaalsContact C-N 3.27Å; S26-L28 PolarHBondContact O-N 3.46Å |
| 27 | G | 73.2 | Confident | 71.5 | Confident | 59 Ų | 59 | 73.3 Ų | 73.3 | 61% | 0.608 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | 4 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q23 Q24 L25 | Q23-G27 PolarHBondContact O-N 3.09Å; Q24-G27 PolarHBondContact O-N 3.18Å; L25-G27 PolarHBondContact O-N 3.08Å |
| 28 | L | 83.5 | Confident | 74.1 | Confident | 8 Ų | 8 | 73.1 Ų | 73.1 | 4% | 0.042 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -86.2 | 148.3 | 176.7 | -62.1 | 178.5 | 0 | 0 | 0 | 111.6 | L25 S26 L33 A70 C73 A74 | L25-L28 HydrophobicContact CD2-CD1 3.9Å; L25-L28 WeakPolarHBondContact O-CB 3.2Å; L25-L28 WeakPolarHBondContact O-CG 3.39Å; L25-L28 PolarHBondContact O-N 3.01Å; L25-L28 VanDerWaalsContact O-N 3.13Å; S26-L28 VanDerWaalsContact C-N 3.27Å; S26-L28 PolarHBondContact O-N 3.46Å; L28-L33 HydrophobicContact CB-CB 4.46Å; L28-L33 HydrophobicContact CD1-CD1 4.43Å; L28-A70 HydrophobicContact CD1-CB 4.09Å; L28-A70 HydrophobicContact CD2-CB 4.49Å; L28-A70 VanDerWaalsContact CD2-O 3.27Å; L28-A70 WeakPolarHBondContact CD2-O 3.47Å; L28-C73 HydrophobicContact CD2-CB 3.6Å; L28-A74 HydrophobicContact CD2-CB 4.3Å |
| 29 | P | 83.2 | Confident | 76.5 | Confident | 19 Ų | 19 | 70 Ų | 70 | 12% | 0.123 | 37% | 0.37 | C | S | . | . | trans | -52.2 | 129 | 172.4 | -28.2 | 36.1 | 0 | 0 | 0 | 111.5 | K31 L32 L33 | P29-K31 VanDerWaalsContact C-N 3.3Å; P29-K31 PolarHBondContact O-N 2.89Å; P29-K31 VanDerWaalsContact O-N 3.17Å; P29-L32 HydrophobicContact CB-CB 4.28Å; P29-L32 WeakPolarHBondContact O-CA 3.08Å; P29-L32 WeakPolarHBondContact O-CB 3.34Å; P29-L32 PolarHBondContact O-N 3.24Å; P29-L33 PolarHBondContact O-N 2.9Å; P29-L33 VanDerWaalsContact O-N 3.09Å | ||
| 30 | P | 81.2 | Confident | 78.8 | Confident | 95 Ų | 95 | 66.1 Ų | 66.1 | 62% | 0.617 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -54.7 | -41.8 | -171.7 | -30.9 | 35.9 | 0 | 0 | 0 | 114.1 | L32 L33 Q34 | P30-L32 VanDerWaalsContact C-N 3.29Å; P30-L32 PolarHBondContact O-N 2.98Å; P30-L33 PolarHBondContact O-N 2.68Å; P30-Q34 WeakPolarHBondContact O-CB 3.32Å; P30-Q34 VanDerWaalsContact O-CG 3.29Å; P30-Q34 WeakPolarHBondContact O-CG 3.35Å; P30-Q34 PolarHBondContact O-N 2.65Å |
| 31 | K | 82.6 | Confident | 80.5 | Confident | 84 Ų | 84 | 63.3 Ų | 63.3 | 37% | 0.365 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.4 | -32.3 | 176.5 | 179.3 | 169.6 | 170.6 | 174.5 | 0 | 113.4 | P29 R35 W100 D780 D781 | P29-K31 VanDerWaalsContact C-N 3.3Å; P29-K31 PolarHBondContact O-N 2.89Å; P29-K31 VanDerWaalsContact O-N 3.17Å; K31-R35 WeakPolarHBondContact O-CB 3.47Å; K31-R35 PolarHBondContact O-N 2.91Å; K31-W100 HydrophobicContact CG-CZ3 4.1Å; K31-D780 PolarHBondContact NZ-O 3.14Å; K31-D781 IonicContact NZ-OD1 2.73Å; K31-D781 PolarHBondContact NZ-OD1 2.85Å |
| 32 | L | 86.5 | Confident | 82 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -73.7 | -47.3 | 173.8 | 175.8 | 59.1 | 0 | 0 | 0 | 110.8 | P29 P30 Q34 R35 L36 V66 I69 A70 W100 | P29-L32 HydrophobicContact CB-CB 4.28Å; P29-L32 WeakPolarHBondContact O-CA 3.08Å; P29-L32 WeakPolarHBondContact O-CB 3.34Å; P29-L32 PolarHBondContact O-N 3.24Å; P30-L32 VanDerWaalsContact C-N 3.29Å; P30-L32 PolarHBondContact O-N 2.98Å; L32-Q34 PolarHBondContact O-N 2.97Å; L32-R35 PolarHBondContact O-N 2.83Å; L32-R35 VanDerWaalsContact O-N 3.16Å; L32-L36 WeakPolarHBondContact O-CG 3.41Å; L32-L36 PolarHBondContact O-N 2.7Å; L32-V66 HydrophobicContact CD1-CG1 3.47Å; L32-V66 VanDerWaalsContact CD1-CG1 3.47Å; L32-I69 HydrophobicContact CD2-CG2 4.24Å; L32-A70 HydrophobicContact CD2-CB 4.05Å; L32-A70 HydrophobicContact CG-CB 4.46Å; L32-W100 HydrophobicContact CB-CE3 4.17Å; L32-W100 HydrophobicContact CD1-CB 4.15Å; L32-W100 HydrophobicContact CD1-CD2 3.98Å; L32-W100 HydrophobicContact CD1-CE3 3.99Å; L32-W100 HydrophobicContact CD1-CG 4.01Å; L32-W100 HydrophobicContact CD2-CB 4.38Å |
| 33 | L | 86.8 | Confident | 83.6 | Confident | 50 Ų | 50 | 60.8 Ų | 60.8 | 26% | 0.262 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.2 | -42 | -179.6 | -177.5 | 61.1 | 0 | 0 | 0 | 112.4 | L28 P29 P30 R35 R41 | L28-L33 HydrophobicContact CB-CB 4.46Å; L28-L33 HydrophobicContact CD1-CD1 4.43Å; P29-L33 PolarHBondContact O-N 2.9Å; P29-L33 VanDerWaalsContact O-N 3.09Å; P30-L33 PolarHBondContact O-N 2.68Å; L33-R35 VanDerWaalsContact C-N 3.35Å; L33-R41 PolarHBondContact O-NH2 2.92Å |
| 34 | Q | 86.1 | Confident | 85.1 | Confident | 150 Ų | 150 | 54.4 Ų | 54.4 | 70% | 0.701 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -63.1 | -38.1 | 174 | -72.9 | 171.5 | -11.4 | 0 | 0 | 112.2 | P30 L32 | P30-Q34 WeakPolarHBondContact O-CB 3.32Å; P30-Q34 VanDerWaalsContact O-CG 3.29Å; P30-Q34 WeakPolarHBondContact O-CG 3.35Å; P30-Q34 PolarHBondContact O-N 2.65Å; L32-Q34 PolarHBondContact O-N 2.97Å |
| 35 | R | 86.8 | Confident | 86.2 | Confident | 150 Ų | 150 | 55.9 Ų | 55.9 | 57% | 0.566 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -75.3 | -26.9 | -176.3 | -167.3 | 67.7 | -174.6 | 82 | -12 | 114.5 | K31 L32 L33 M37 W100 | K31-R35 WeakPolarHBondContact O-CB 3.47Å; K31-R35 PolarHBondContact O-N 2.91Å; L32-R35 PolarHBondContact O-N 2.83Å; L32-R35 VanDerWaalsContact O-N 3.16Å; L33-R35 VanDerWaalsContact C-N 3.35Å; R35-M37 PolarHBondContact O-N 3.08Å; R35-W100 HydrophobicContact CB-CH2 4.04Å; R35-W100 HydrophobicContact CB-CZ3 3.94Å; R35-W100 HydrophobicContact CG-CH2 3.62Å; R35-W100 HydrophobicContact CG-CZ2 4.33Å; R35-W100 HydrophobicContact CG-CZ3 4.07Å |
| 36 | L | 89.3 | Confident | 87.2 | Confident | 4 Ų | 4 | 56.6 Ų | 56.6 | 2% | 0.021 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -62.7 | 115.2 | 178.9 | -74.6 | 168.1 | 0 | 0 | 0 | 111.1 | L32 Q40 R41 V44 V66 A70 | L32-L36 WeakPolarHBondContact O-CG 3.41Å; L32-L36 PolarHBondContact O-N 2.7Å; L36-Q40 HydrophobicContact CB-CB 4.36Å; L36-Q40 HydrophobicContact CD2-CB 3.72Å; L36-R41 HydrophobicContact CB-CG 3.81Å; L36-R41 PolarHBondContact O-NE 3.29Å; L36-V44 HydrophobicContact CD1-CG2 4.37Å; L36-V66 HydrophobicContact CD2-CG1 3.94Å; L36-A70 HydrophobicContact CD1-CB 4.06Å |
| 37 | M | 89.7 | Confident | 88.5 | Confident | 49 Ų | 49 | 52.2 Ų | 52.2 | 24% | 0.241 | 27% | 0.268 | C | S | . | . | trans | -62.5 | 157.7 | 172.2 | -64.1 | -179 | -75 | 0 | 0 | 111 | R35 F39 Q40 R41 L261 I439 | R35-M37 PolarHBondContact O-N 3.08Å; M37-F39 HydrophobicContact CB-CD1 4.15Å; M37-F39 HydrophobicContact CB-CE1 3.94Å; M37-F39 HydrophobicContact CE-CE1 3.67Å; M37-F39 HydrophobicContact CE-CZ 3.58Å; M37-F39 PolarHBondContact O-N 3.47Å; M37-F39 HydrophobicContact SD-CE1 4.01Å; M37-Q40 HydrophobicContact CB-CG 4.14Å; M37-Q40 VanDerWaalsContact CE-CD 3.48Å; M37-Q40 HydrophobicContact CE-CG 4.24Å; M37-Q40 WeakPolarHBondContact O-CA 3.39Å; M37-Q40 VanDerWaalsContact O-CB 3.29Å; M37-Q40 WeakPolarHBondContact O-CB 3.34Å; M37-Q40 PolarHBondContact O-N 3.36Å; M37-R41 PolarHBondContact O-N 3.03Å; M37-R41 VanDerWaalsContact O-N 3.09Å; M37-L261 HydrophobicContact SD-CD2 4.43Å; M37-I439 HydrophobicContact CE-CD1 4.46Å | ||
| 38 | P | 90.3 | Very high | 89.5 | Confident | 99 Ų | 99 | 49.5 Ų | 49.5 | 64% | 0.643 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -50 | -51.2 | -174.8 | -30.5 | 36.5 | 0 | 0 | 0 | 114.2 | Q40 R41 E42 | P38-Q40 PolarHBondContact O-N 2.74Å; P38-R41 WeakPolarHBondContact O-CB 3.23Å; P38-R41 PolarHBondContact O-N 3.09Å; P38-E42 PolarHBondContact O-N 3.04Å; P38-E42 VanDerWaalsContact O-N 3.14Å |
| 39 | F | 90.8 | Very high | 89.9 | Confident | 12 Ų | 12 | 51.6 Ų | 51.6 | 5% | 0.053 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.7 | -28.6 | 176.1 | 77.3 | -94.6 | 0 | 0 | 0 | 113.3 | M37 R41 G43 L62 R255 V260 L261 | M37-F39 HydrophobicContact CB-CD1 4.15Å; M37-F39 HydrophobicContact CB-CE1 3.94Å; M37-F39 HydrophobicContact CE-CE1 3.67Å; M37-F39 HydrophobicContact CE-CZ 3.58Å; M37-F39 PolarHBondContact O-N 3.47Å; M37-F39 HydrophobicContact SD-CE1 4.01Å; F39-R41 VanDerWaalsContact C-N 3.32Å; F39-G43 PolarHBondContact O-N 3.38Å; F39-G43 VanDerWaalsContact O-N 3.12Å; F39-L62 HydrophobicContact CE2-CB 3.94Å; F39-L62 HydrophobicContact CE2-CD2 4.44Å; F39-L62 HydrophobicContact CZ-CB 4.23Å; F39-L62 HydrophobicContact CZ-CD2 4.12Å; F39-R255 PolarHBondContact O-NH1 2.91Å; F39-R255 PolarHBondContact O-NH2 2.8Å; F39-V260 HydrophobicContact CB-CB 4.3Å; F39-V260 HydrophobicContact CB-CG1 3.94Å; F39-V260 HydrophobicContact CD1-CB 3.67Å; F39-V260 HydrophobicContact CD1-CG1 4.26Å; F39-V260 HydrophobicContact CD1-CG2 3.95Å; F39-V260 HydrophobicContact CD2-CB 4.42Å; F39-V260 HydrophobicContact CD2-CG1 4.5Å; F39-V260 HydrophobicContact CD2-CG2 4.13Å; F39-V260 HydrophobicContact CE1-CB 4.03Å; F39-V260 HydrophobicContact CE1-CG2 3.87Å; F39-V260 HydrophobicContact CE2-CG2 4.09Å; F39-V260 HydrophobicContact CG-CB 3.87Å; F39-V260 HydrophobicContact CG-CG1 3.99Å; F39-V260 HydrophobicContact CG-CG2 4.07Å; F39-V260 HydrophobicContact CZ-CG2 3.94Å; F39-L261 HydrophobicContact CE1-CD2 4.44Å |
| 40 | Q | 93.3 | Very high | 90.4 | Very high | 9 Ų | 9 | 53.7 Ų | 53.7 | 4% | 0.042 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -70.8 | -32.7 | 175.6 | -60.2 | -179 | -40.6 | 0 | 0 | 111 | L36 M37 P38 G43 V44 L62 Q67 | L36-Q40 HydrophobicContact CB-CB 4.36Å; L36-Q40 HydrophobicContact CD2-CB 3.72Å; M37-Q40 HydrophobicContact CB-CG 4.14Å; M37-Q40 VanDerWaalsContact CE-CD 3.48Å; M37-Q40 HydrophobicContact CE-CG 4.24Å; M37-Q40 WeakPolarHBondContact O-CA 3.39Å; M37-Q40 VanDerWaalsContact O-CB 3.29Å; M37-Q40 WeakPolarHBondContact O-CB 3.34Å; M37-Q40 PolarHBondContact O-N 3.36Å; P38-Q40 PolarHBondContact O-N 2.74Å; Q40-G43 PolarHBondContact O-N 3.07Å; Q40-V44 WeakPolarHBondContact O-CG2 3.03Å; Q40-V44 PolarHBondContact O-N 3.02Å; Q40-V44 VanDerWaalsContact O-N 3.16Å; Q40-L62 PolarHBondContact NE2-O 3.13Å; Q40-Q67 HydrophobicContact CB-CG 3.89Å; Q40-Q67 HydrophobicContact CG-CG 4.18Å |
| 41 | R | 91.9 | Very high | 90.9 | Very high | 99 Ų | 99 | 53.8 Ų | 53.8 | 37% | 0.374 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -66.3 | -49.2 | 173.4 | -59 | 178.5 | -178.4 | -167.9 | -6.4 | 111.3 | L33 L36 M37 P38 F39 G43 V44 E45 | L33-R41 PolarHBondContact O-NH2 2.92Å; L36-R41 HydrophobicContact CB-CG 3.81Å; L36-R41 PolarHBondContact O-NE 3.29Å; M37-R41 PolarHBondContact O-N 3.03Å; M37-R41 VanDerWaalsContact O-N 3.09Å; P38-R41 WeakPolarHBondContact O-CB 3.23Å; P38-R41 PolarHBondContact O-N 3.09Å; F39-R41 VanDerWaalsContact C-N 3.32Å; R41-G43 PolarHBondContact O-N 2.96Å; R41-G43 VanDerWaalsContact O-N 3.11Å; R41-V44 WeakPolarHBondContact O-CA 3.49Å; R41-V44 WeakPolarHBondContact O-CB 3.44Å; R41-V44 PolarHBondContact O-N 2.83Å; R41-E45 WeakPolarHBondContact O-CG 3.41Å; R41-E45 PolarHBondContact O-N 3.04Å |
| 42 | E | 91.9 | Very high | 91.4 | Very high | 90 Ų | 90 | 49.8 Ų | 49.8 | 42% | 0.421 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -50.9 | -36.8 | 170.9 | -64.7 | 161.7 | -152.9 | 0 | 0 | 112.5 | P38 F46 R255 | P38-E42 PolarHBondContact O-N 3.04Å; P38-E42 VanDerWaalsContact O-N 3.14Å; E42-F46 VanDerWaalsContact O-CB 3.28Å; E42-F46 WeakPolarHBondContact O-CB 3.49Å; E42-F46 PolarHBondContact O-N 3.44Å; E42-R255 IonicContact OE2-CZ 3.15Å; E42-R255 IonicContact OE2-NH1 3.05Å; E42-R255 PolarHBondContact OE2-NH1 2.91Å |
| 43 | G | 93.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.7 | -37.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | F39 Q40 R41 A47 | F39-G43 PolarHBondContact O-N 3.38Å; F39-G43 VanDerWaalsContact O-N 3.12Å; Q40-G43 PolarHBondContact O-N 3.07Å; R41-G43 PolarHBondContact O-N 2.96Å; R41-G43 VanDerWaalsContact O-N 3.11Å; G43-A47 WeakPolarHBondContact O-CB 3.49Å; G43-A47 PolarHBondContact O-N 3.35Å |
| 44 | V | 94.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -69.7 | -45.7 | 172.3 | 179.2 | 0 | 0 | 0 | 0 | 110.1 | L25 L36 Q40 R41 F46 A47 L48 Q67 A70 V71 | L25-V44 HydrophobicContact CD2-CB 4.36Å; L25-V44 HydrophobicContact CD2-CG1 3.6Å; L36-V44 HydrophobicContact CD1-CG2 4.37Å; Q40-V44 WeakPolarHBondContact O-CG2 3.03Å; Q40-V44 PolarHBondContact O-N 3.02Å; Q40-V44 VanDerWaalsContact O-N 3.16Å; R41-V44 WeakPolarHBondContact O-CA 3.49Å; R41-V44 WeakPolarHBondContact O-CB 3.44Å; R41-V44 PolarHBondContact O-N 2.83Å; V44-F46 PolarHBondContact O-N 3.3Å; V44-A47 WeakPolarHBondContact O-CB 3.4Å; V44-A47 PolarHBondContact O-N 3.48Å; V44-A47 VanDerWaalsContact O-N 3.13Å; V44-L48 HydrophobicContact CG1-CD1 4.13Å; V44-L48 HydrophobicContact CG1-CG 4.37Å; V44-L48 WeakPolarHBondContact O-CG 3.38Å; V44-L48 PolarHBondContact O-N 2.84Å; V44-Q67 HydrophobicContact CG2-CB 4.37Å; V44-A70 HydrophobicContact CG1-CB 4.31Å; V44-A70 HydrophobicContact CG2-CB 3.74Å; V44-V71 HydrophobicContact CB-CG2 4.21Å; V44-V71 HydrophobicContact CG1-CG2 3.9Å; V44-V71 HydrophobicContact CG2-CG2 4.19Å |
| 45 | E | 93.5 | Very high | 92.9 | Very high | 84 Ų | 84 | 42.1 Ų | 42.1 | 39% | 0.393 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -58.9 | -44.7 | 176.3 | -72.5 | 159.8 | -156.5 | 0 | 0 | 112.1 | L25 R41 A47 L48 S49 | L25-E45 HydrophobicContact CD1-CG 3.76Å; R41-E45 WeakPolarHBondContact O-CG 3.41Å; R41-E45 PolarHBondContact O-N 3.04Å; E45-A47 VanDerWaalsContact C-N 3.34Å; E45-A47 PolarHBondContact O-N 3Å; E45-L48 PolarHBondContact O-N 3.3Å; E45-S49 WeakPolarHBondContact O-CB 3.37Å; E45-S49 PolarHBondContact O-N 3.48Å |
| 46 | F | 94.7 | Very high | 93.3 | Very high | 36 Ų | 36 | 35 Ų | 35 | 16% | 0.158 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -56.7 | -49.3 | 172.6 | 177.6 | -94.2 | 0 | 0 | 0 | 110.7 | E42 V44 L48 S49 K50 C54 I253 | E42-F46 VanDerWaalsContact O-CB 3.28Å; E42-F46 WeakPolarHBondContact O-CB 3.49Å; E42-F46 PolarHBondContact O-N 3.44Å; V44-F46 PolarHBondContact O-N 3.3Å; F46-L48 PolarHBondContact O-N 2.82Å; F46-S49 PolarHBondContact O-N 3.45Å; F46-S49 PolarHBondContact O-OG 3.02Å; F46-K50 HydrophobicContact CD1-CG 4.48Å; F46-K50 HydrophobicContact CE1-CG 4.15Å; F46-K50 HydrophobicContact CZ-CG 4.19Å; F46-K50 WeakPolarHBondContact O-CG 3.18Å; F46-K50 PolarHBondContact O-N 3.15Å; F46-K50 VanDerWaalsContact O-N 3.08Å; F46-C54 HydrophobicContact CD1-CB 4.4Å; F46-C54 HydrophobicContact CE1-CB 4.09Å; F46-I253 HydrophobicContact CB-CD1 4.04Å; F46-I253 HydrophobicContact CD1-CB 3.75Å; F46-I253 HydrophobicContact CD1-CG2 3.78Å; F46-I253 HydrophobicContact CD2-CB 4.43Å; F46-I253 HydrophobicContact CE1-CB 3.94Å; F46-I253 HydrophobicContact CE1-CG2 4.19Å; F46-I253 HydrophobicContact CG-CB 4.01Å; F46-I253 HydrophobicContact CG-CD1 4.27Å; F46-I253 HydrophobicContact CG-CG2 4.33Å; F46-I253 HydrophobicContact CZ-CB 4.36Å |
| 47 | A | 95.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.5 | -39.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | G43 V44 E45 K50 N51 G52 C54 V71 | G43-A47 WeakPolarHBondContact O-CB 3.49Å; G43-A47 PolarHBondContact O-N 3.35Å; V44-A47 WeakPolarHBondContact O-CB 3.4Å; V44-A47 PolarHBondContact O-N 3.48Å; V44-A47 VanDerWaalsContact O-N 3.13Å; E45-A47 VanDerWaalsContact C-N 3.34Å; E45-A47 PolarHBondContact O-N 3Å; A47-K50 CarbonylContact O-C 3.5Å; A47-K50 PolarHBondContact O-N 2.84Å; A47-N51 PolarHBondContact O-N 2.82Å; A47-G52 WeakPolarHBondContact O-CA 3.45Å; A47-G52 PolarHBondContact O-N 3Å; A47-C54 WeakPolarHBondContact CB-SG 3.39Å; A47-V71 HydrophobicContact CB-CB 4.38Å; A47-V71 HydrophobicContact CB-CG1 3.89Å; A47-V71 HydrophobicContact CB-CG2 3.49Å; A47-V71 VanDerWaalsContact CB-CG2 3.49Å |
| 48 | L | 93.5 | Very high | 93.8 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.8 | -44.2 | 173.4 | -67.9 | 175.3 | 0 | 0 | 0 | 111.3 | W21 Q24 L25 V44 E45 F46 K50 N51 A74 Y75 | W21-L48 HydrophobicContact CB-CB 4.48Å; W21-L48 HydrophobicContact CB-CD1 4.44Å; Q24-L48 HydrophobicContact CB-CD1 4.28Å; L25-L48 HydrophobicContact CD2-CD1 3.92Å; L25-L48 HydrophobicContact CG-CD1 3.97Å; V44-L48 HydrophobicContact CG1-CD1 4.13Å; V44-L48 HydrophobicContact CG1-CG 4.37Å; V44-L48 WeakPolarHBondContact O-CG 3.38Å; V44-L48 PolarHBondContact O-N 2.84Å; E45-L48 PolarHBondContact O-N 3.3Å; F46-L48 PolarHBondContact O-N 2.82Å; L48-K50 PolarHBondContact O-N 2.97Å; L48-N51 WeakPolarHBondContact O-CA 3.45Å; L48-N51 PolarHBondContact O-N 3.39Å; L48-A74 HydrophobicContact CD2-CB 3.72Å; L48-Y75 HydrophobicContact CD2-CE2 3.92Å |
| 49 | S | 92.9 | Very high | 93.8 | Very high | 52 Ų | 52 | 29.2 Ų | 29.2 | 36% | 0.364 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -61.9 | -23.5 | 175.1 | 84.5 | 0 | 0 | 0 | 0 | 113.5 | E45 F46 N51 | E45-S49 WeakPolarHBondContact O-CB 3.37Å; E45-S49 PolarHBondContact O-N 3.48Å; F46-S49 PolarHBondContact O-N 3.45Å; F46-S49 PolarHBondContact O-OG 3.02Å; S49-N51 VanDerWaalsContact C-N 3.3Å |
| 50 | K | 93.3 | Very high | 93.5 | Very high | 64 Ų | 64 | 29.3 Ų | 29.3 | 28% | 0.278 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 19.7 | 172.2 | -52.2 | -49.4 | 168.4 | -118.4 | 0 | 112.5 | F46 A47 L48 G52 R53 C54 Q250 | F46-K50 HydrophobicContact CD1-CG 4.48Å; F46-K50 HydrophobicContact CE1-CG 4.15Å; F46-K50 HydrophobicContact CZ-CG 4.19Å; F46-K50 WeakPolarHBondContact O-CG 3.18Å; F46-K50 PolarHBondContact O-N 3.15Å; F46-K50 VanDerWaalsContact O-N 3.08Å; A47-K50 CarbonylContact O-C 3.5Å; A47-K50 PolarHBondContact O-N 2.84Å; L48-K50 PolarHBondContact O-N 2.97Å; K50-G52 PolarHBondContact O-N 2.88Å; K50-R53 WeakPolarHBondContact CB-O 3.37Å; K50-R53 PolarHBondContact O-N 2.9Å; K50-C54 HydrophobicContact CB-CB 4.34Å; K50-Q250 WeakPolarHBondContact CE-O 3.39Å |
| 51 | N | 92.5 | Very high | 92.9 | Very high | 96 Ų | 96 | 29.7 Ų | 29.7 | 51% | 0.513 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 35.9 | 176.8 | -155 | 33.5 | 0 | 0 | 0 | 111.8 | A47 L48 S49 R53 R181 | A47-N51 PolarHBondContact O-N 2.82Å; L48-N51 WeakPolarHBondContact O-CA 3.45Å; L48-N51 PolarHBondContact O-N 3.39Å; S49-N51 VanDerWaalsContact C-N 3.3Å; N51-R53 VanDerWaalsContact C-N 3.32Å; N51-R53 PolarHBondContact O-N 2.95Å; N51-R181 VanDerWaalsContact C-NH1 3.29Å; N51-R181 VanDerWaalsContact O-CD 3.24Å; N51-R181 WeakPolarHBondContact O-CD 3.46Å; N51-R181 PolarHBondContact O-NH1 3.03Å; N51-R181 PolarHBondContact OD1-NH1 2.97Å |
| 52 | G | 91.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | 16.2 | -177 | 0 | 0 | 0 | 0 | 0 | 115.6 | A47 K50 Y75 R181 A182 | A47-G52 WeakPolarHBondContact O-CA 3.45Å; A47-G52 PolarHBondContact O-N 3Å; K50-G52 PolarHBondContact O-N 2.88Å; G52-Y75 PolarHBondContact N-OH 3.16Å; G52-R181 CarbonylContact O-C 2.92Å; G52-R181 WeakPolarHBondContact O-CA 3.39Å; G52-A182 CarbonylContact O-C 3.53Å; G52-A182 PolarHBondContact O-N 3.45Å |
| 53 | R | 96.5 | Very high | 92.5 | Very high | 36 Ų | 36 | 21.8 Ų | 21.8 | 14% | 0.136 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 96.3 | 171.8 | -62.1 | -165.7 | 80.8 | 84.5 | -1.8 | 110.7 | K50 N51 I176 A179 K180 A182 A203 L204 Y205 | K50-R53 WeakPolarHBondContact CB-O 3.37Å; K50-R53 PolarHBondContact O-N 2.9Å; N51-R53 VanDerWaalsContact C-N 3.32Å; N51-R53 PolarHBondContact O-N 2.95Å; R53-I176 PolarHBondContact NH2-O 3.09Å; R53-A179 PolarHBondContact NH1-O 3.09Å; R53-K180 PolarHBondContact NH1-O 3.49Å; R53-A182 CarbonylContact C-O 3.6Å; R53-A182 VanDerWaalsContact CA-O 3.29Å; R53-A182 WeakPolarHBondContact CA-O 3.32Å; R53-A182 HydrophobicContact CG-CB 4.42Å; R53-A203 PolarHBondContact NH2-O 3.32Å; R53-L204 PolarHBondContact NE-O 2.87Å; R53-L204 PolarHBondContact NH2-O 3.03Å; R53-Y205 HydrophobicContact CB-CE1 4.47Å; R53-Y205 PolarHBondContact O-OH 2.87Å |
| 54 | C | 97 | Very high | 92.5 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 167.8 | -173.9 | 65.7 | 0 | 0 | 0 | 0 | 113.6 | F46 A47 K50 A182 L184 | F46-C54 HydrophobicContact CD1-CB 4.4Å; F46-C54 HydrophobicContact CE1-CB 4.09Å; A47-C54 WeakPolarHBondContact CB-SG 3.39Å; K50-C54 HydrophobicContact CB-CB 4.34Å; C54-A182 PolarHBondContact N-O 3.04Å; C54-L184 PolarHBondContact O-N 3.4Å |
| 55 | M | 97.1 | Very high | 92.4 | Very high | 4 Ų | 4 | 24.3 Ų | 24.3 | 2% | 0.02 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 121.3 | 165.5 | -173.5 | -177.9 | -67.9 | 0 | 0 | 110.2 | A57 L184 T186 P189 Q200 L204 I251 M252 I253 | M55-A57 HydrophobicContact CG-CB 4.15Å; M55-A57 HydrophobicContact SD-CB 4.24Å; M55-L184 CarbonylContact C-O 3.47Å; M55-L184 VanDerWaalsContact CA-O 3.29Å; M55-L184 WeakPolarHBondContact CA-O 3.21Å; M55-L184 HydrophobicContact CB-CB 4.34Å; M55-L184 HydrophobicContact CE-CB 4.49Å; M55-L184 HydrophobicContact CE-CD1 4.05Å; M55-L184 HydrophobicContact CG-CB 4.18Å; M55-T186 HydrophobicContact CG-CG2 4.42Å; M55-T186 HydrophobicContact SD-CG2 4.18Å; M55-P189 HydrophobicContact SD-CB 3.94Å; M55-P189 HydrophobicContact SD-CG 3.98Å; M55-Q200 HydrophobicContact CE-CB 3.64Å; M55-Q200 HydrophobicContact CE-CG 4.46Å; M55-L204 HydrophobicContact CB-CD1 4.05Å; M55-I251 PolarHBondContact N-O 2.92Å; M55-M252 HydrophobicContact CB-CB 4.13Å; M55-M252 HydrophobicContact CB-CG 4.1Å; M55-M252 HydrophobicContact CG-CG 4.11Å; M55-M252 VanDerWaalsContact O-CA 3.27Å; M55-M252 WeakPolarHBondContact O-CA 3.38Å; M55-M252 HydrophobicContact SD-CG 3.97Å; M55-M252 HydrophobicContact SD-SD 3.93Å; M55-I253 PolarHBondContact O-N 3.14Å |
| 56 | I | 97.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 99.8 | 168.9 | -51.4 | -179.9 | 0 | 0 | 0 | 106.8 | K64 Q67 I183 L184 L185 T186 I253 | I56-K64 HydrophobicContact CG2-CD 4.07Å; I56-K64 HydrophobicContact CG2-CG 3.96Å; I56-K64 WeakPolarHBondContact O-CD 3.37Å; I56-Q67 HydrophobicContact CD1-CB 4.08Å; I56-I183 HydrophobicContact CD1-CG2 4.35Å; I56-L184 PolarHBondContact N-O 2.83Å; I56-L185 HydrophobicContact CB-CD2 3.77Å; I56-L185 HydrophobicContact CD1-CD2 4.01Å; I56-L185 HydrophobicContact CG1-CD2 4.1Å; I56-T186 PolarHBondContact O-N 2.98Å; I56-I253 HydrophobicContact CB-CG2 4.46Å; I56-I253 HydrophobicContact CG1-CG2 4.37Å; I56-I253 HydrophobicContact CG2-CG2 4.25Å |
| 57 | A | 95.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | trans | -107.9 | 17.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | M55 T186 P189 M252 I253 R254 | M55-A57 HydrophobicContact CG-CB 4.15Å; M55-A57 HydrophobicContact SD-CB 4.24Å; A57-T186 WeakPolarHBondContact CA-O 3.31Å; A57-P189 HydrophobicContact CB-CG 3.54Å; A57-M252 HydrophobicContact CB-CG 3.42Å; A57-M252 VanDerWaalsContact CB-CG 3.42Å; A57-M252 HydrophobicContact CB-SD 3.55Å; A57-M252 VanDerWaalsContact CB-SD 3.55Å; A57-I253 CarbonylContact C-O 3.58Å; A57-I253 WeakPolarHBondContact CA-O 3.32Å; A57-I253 PolarHBondContact N-O 3.42Å; A57-R254 HydrophobicContact CB-CB 4.09Å; A57-R254 HydrophobicContact CB-CG 4.49Å; A57-R254 VanDerWaalsContact O-CG 3.31Å; A57-R254 WeakPolarHBondContact O-CG 3.41Å; A57-R254 PolarHBondContact O-NH1 3.19Å | ||
| 58 | D | 93.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.112 | C | C | . | . | P | Polyproline II helix | trans | -46.5 | 150.1 | 170.4 | -78.6 | -19.3 | 0 | 0 | 0 | 112.1 | L62 K64 Q67 R255 | D58-L62 HydrophobicContact CB-CB 4.26Å; D58-L62 HydrophobicContact CB-CD1 4.11Å; D58-K64 HydrophobicContact CB-CD 4.28Å; D58-K64 HydrophobicContact CB-CG 4.06Å; D58-K64 PolarHBondContact O-NZ 3.05Å; D58-Q67 PolarHBondContact OD2-NE2 2.95Å; D58-R255 IonicContact OD1-CZ 3.59Å; D58-R255 PolarHBondContact OD1-N 3.19Å; D58-R255 IonicContact OD1-NE 2.77Å; D58-R255 PolarHBondContact OD1-NE 2.97Å; D58-R255 IonicContact OD1-NH2 3.04Å; D58-R255 PolarHBondContact OD1-NH2 2.87Å; D58-R255 IonicContact OD2-CZ 3.77Å; D58-R255 IonicContact OD2-NE 2.7Å; D58-R255 IonicContact OD2-NH2 3.61Å; D58-R255 PolarHBondContact OD2-NH2 3.46Å |
| 59 | E | 89.6 | Confident | 92.6 | Very high | 31 Ų | 31 | 19.4 Ų | 19.4 | 15% | 0.145 | 11% | 0.112 | C | C | . | . | P | Polyproline II helix | trans | -56.4 | 152.1 | 175.7 | -162.2 | 178.3 | 161.8 | 0 | 0 | 112.1 | L62 R255 L256 K257 | E59-L62 HydrophobicContact CB-CD1 3.96Å; E59-L62 HydrophobicContact CB-CG 4.38Å; E59-L62 WeakPolarHBondContact O-CB 3.35Å; E59-L62 WeakPolarHBondContact O-CG 3.29Å; E59-L62 PolarHBondContact O-N 3.08Å; E59-R255 PolarHBondContact N-O 2.99Å; E59-L256 HydrophobicContact CB-CD2 4.28Å; E59-L256 VanDerWaalsContact OE2-CA 3.31Å; E59-L256 WeakPolarHBondContact OE2-CA 3.19Å; E59-L256 WeakPolarHBondContact OE2-CB 3.06Å; E59-K257 HydrophobicContact CB-CG 4.44Å; E59-K257 HydrophobicContact CG-CD 4.44Å; E59-K257 HydrophobicContact CG-CG 4.28Å; E59-K257 WeakPolarHBondContact OE1-CD 3.28Å; E59-K257 WeakPolarHBondContact OE1-CE 3.15Å; E59-K257 IonicContact OE1-NZ 3.41Å; E59-K257 PolarHBondContact OE2-N 3.16Å |
| 60 | M | 85.4 | Confident | 92.6 | Very high | 13 Ų | 13 | 17 Ų | 17 | 6% | 0.064 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | 137.2 | -176 | 70.7 | -160.7 | 99.1 | 0 | 0 | 111.9 | T188 K257 K430 Q431 D434 | M60-T188 HydrophobicContact CE-CG2 4.33Å; M60-K257 WeakPolarHBondContact O-CE 3.47Å; M60-K257 PolarHBondContact O-NZ 3.31Å; M60-K257 VanDerWaalsContact O-NZ 3.14Å; M60-K430 HydrophobicContact CE-CB 4.46Å; M60-Q431 HydrophobicContact CE-CB 4.35Å; M60-Q431 HydrophobicContact CE-CG 3.75Å; M60-Q431 VanDerWaalsContact SD-CA 3.56Å; M60-Q431 HydrophobicContact SD-CB 4.12Å; M60-Q431 HydrophobicContact SD-CG 3.75Å; M60-D434 HydrophobicContact CE-CB 4.4Å; M60-D434 HydrophobicContact CG-CB 3.54Å; M60-D434 HydrophobicContact SD-CB 3.8Å |
| 61 | G | 81 | Confident | 92.7 | Very high | 18 Ų | 18 | 13.9 Ų | 13.9 | 19% | 0.186 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 103.4 | -23.1 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | G63 I439 | G61-G63 PolarHBondContact O-N 2.83Å; G61-I439 WeakPolarHBondContact O-CD1 3.46Å |
| 62 | L | 87.3 | Confident | 92.8 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 6% | 0.057 | C | C | . | . | S | Bend | trans | -73.8 | 17.6 | -179 | -61.1 | -174.8 | 0 | 0 | 0 | 115.5 | F39 Q40 D58 E59 R255 K257 V260 L261 | F39-L62 HydrophobicContact CE2-CB 3.94Å; F39-L62 HydrophobicContact CE2-CD2 4.44Å; F39-L62 HydrophobicContact CZ-CB 4.23Å; F39-L62 HydrophobicContact CZ-CD2 4.12Å; Q40-L62 PolarHBondContact NE2-O 3.13Å; D58-L62 HydrophobicContact CB-CB 4.26Å; D58-L62 HydrophobicContact CB-CD1 4.11Å; E59-L62 HydrophobicContact CB-CD1 3.96Å; E59-L62 HydrophobicContact CB-CG 4.38Å; E59-L62 WeakPolarHBondContact O-CB 3.35Å; E59-L62 WeakPolarHBondContact O-CG 3.29Å; E59-L62 PolarHBondContact O-N 3.08Å; L62-R255 WeakPolarHBondContact CD1-O 3.46Å; L62-K257 HydrophobicContact CD2-CG 4.08Å; L62-K257 HydrophobicContact CG-CG 4.45Å; L62-V260 HydrophobicContact CD1-CG2 3.79Å; L62-V260 HydrophobicContact CD2-CG2 3.68Å; L62-V260 HydrophobicContact CG-CG2 4.38Å; L62-L261 HydrophobicContact CD2-CD1 3.44Å; L62-L261 VanDerWaalsContact CD2-CD1 3.44Å; L62-L261 HydrophobicContact CD2-CG 3.87Å |
| 63 | G | 87.6 | Confident | 92.8 | Very high | 22 Ų | 22 | 9.9 Ų | 9.9 | 23% | 0.227 | 6% | 0.061 | C | C | . | . | trans | 70.4 | 31.8 | 173 | 0 | 0 | 0 | 0 | 0 | 116.4 | G61 T65 V66 Q67 | G61-G63 PolarHBondContact O-N 2.83Å; G63-T65 PolarHBondContact O-N 3.48Å; G63-T65 VanDerWaalsContact O-N 3.13Å; G63-V66 PolarHBondContact O-N 3.05Å; G63-Q67 PolarHBondContact O-N 3.46Å | ||
| 64 | K | 92.8 | Very high | 92.6 | Very high | 16 Ų | 16 | 9 Ų | 9 | 7% | 0.07 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -49.9 | -36.4 | 178.1 | -74.1 | -164.8 | -69.8 | -77.8 | 0 | 114.6 | I56 D58 V66 Q67 A68 L185 T186 | I56-K64 HydrophobicContact CG2-CD 4.07Å; I56-K64 HydrophobicContact CG2-CG 3.96Å; I56-K64 WeakPolarHBondContact O-CD 3.37Å; D58-K64 HydrophobicContact CB-CD 4.28Å; D58-K64 HydrophobicContact CB-CG 4.06Å; D58-K64 PolarHBondContact O-NZ 3.05Å; K64-V66 PolarHBondContact O-N 2.9Å; K64-Q67 PolarHBondContact O-N 3.5Å; K64-A68 WeakPolarHBondContact O-CB 3.41Å; K64-A68 PolarHBondContact O-N 3.45Å; K64-L185 HydrophobicContact CD-CB 4.45Å; K64-T186 VanDerWaalsContact CE-C 3.48Å; K64-T186 WeakPolarHBondContact CE-O 3.42Å; K64-T186 PolarHBondContact NZ-O 3.08Å |
| 65 | T | 93.6 | Very high | 92.4 | Very high | 37 Ų | 37 | 9.3 Ų | 9.3 | 23% | 0.227 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -56.3 | -47.5 | 175.7 | -52.8 | 0 | 0 | 0 | 0 | 111.7 | G63 A68 I69 W93 E96 | G63-T65 PolarHBondContact O-N 3.48Å; G63-T65 VanDerWaalsContact O-N 3.13Å; T65-A68 PolarHBondContact O-N 3.12Å; T65-I69 HydrophobicContact CG2-CD1 3.95Å; T65-I69 WeakPolarHBondContact O-CB 3.41Å; T65-I69 VanDerWaalsContact O-CG1 3.28Å; T65-I69 WeakPolarHBondContact O-CG1 3.02Å; T65-I69 PolarHBondContact O-N 2.82Å; T65-W93 HydrophobicContact CG2-CD2 3.96Å; T65-W93 HydrophobicContact CG2-CE3 3.99Å; T65-W93 HydrophobicContact CG2-CH2 3.91Å; T65-W93 HydrophobicContact CG2-CZ2 3.84Å; T65-W93 HydrophobicContact CG2-CZ3 3.97Å; T65-E96 HydrophobicContact CG2-CB 4.15Å; T65-E96 HydrophobicContact CG2-CG 4.3Å |
| 66 | V | 92.9 | Very high | 92 | Very high | 18 Ų | 18 | 11.9 Ų | 11.9 | 11% | 0.109 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -66.8 | -41.8 | -180 | -171.1 | 0 | 0 | 0 | 0 | 111.1 | L32 L36 G63 K64 A68 I69 A70 | L32-V66 HydrophobicContact CD1-CG1 3.47Å; L32-V66 VanDerWaalsContact CD1-CG1 3.47Å; L36-V66 HydrophobicContact CD2-CG1 3.94Å; G63-V66 PolarHBondContact O-N 3.05Å; K64-V66 PolarHBondContact O-N 2.9Å; V66-A68 PolarHBondContact O-N 3.4Å; V66-I69 PolarHBondContact O-N 3.06Å; V66-A70 PolarHBondContact O-N 3.32Å |
| 67 | Q | 94.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58.4 | -47.1 | 172.6 | -62.8 | -177.9 | 41.6 | 0 | 0 | 111.2 | Q40 V44 I56 D58 G63 K64 I69 A70 V71 | Q40-Q67 HydrophobicContact CB-CG 3.89Å; Q40-Q67 HydrophobicContact CG-CG 4.18Å; V44-Q67 HydrophobicContact CG2-CB 4.37Å; I56-Q67 HydrophobicContact CD1-CB 4.08Å; D58-Q67 PolarHBondContact OD2-NE2 2.95Å; G63-Q67 PolarHBondContact O-N 3.46Å; K64-Q67 PolarHBondContact O-N 3.5Å; Q67-I69 PolarHBondContact O-N 3.01Å; Q67-A70 PolarHBondContact O-N 3.18Å; Q67-V71 WeakPolarHBondContact O-CG2 3.38Å; Q67-V71 PolarHBondContact O-N 3.3Å |
| 68 | A | 96.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66 | -38.7 | -179 | 0 | 0 | 0 | 0 | 0 | 113 | K64 T65 V66 V71 A72 W93 V154 I183 L185 | K64-A68 WeakPolarHBondContact O-CB 3.41Å; K64-A68 PolarHBondContact O-N 3.45Å; T65-A68 PolarHBondContact O-N 3.12Å; V66-A68 PolarHBondContact O-N 3.4Å; A68-V71 PolarHBondContact O-N 3.27Å; A68-A72 WeakPolarHBondContact O-CB 3.46Å; A68-A72 PolarHBondContact O-N 3.25Å; A68-W93 HydrophobicContact CB-CH2 3.94Å; A68-V154 HydrophobicContact CB-CG1 4.3Å; A68-I183 HydrophobicContact CB-CG2 4.35Å; A68-L185 HydrophobicContact CB-CD1 3.51Å; A68-L185 HydrophobicContact CB-CD2 3.8Å; A68-L185 HydrophobicContact CB-CG 4.22Å |
| 69 | I | 95.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.1 | -44.8 | 173.7 | -73.2 | 170.8 | 0 | 0 | 0 | 110.1 | L32 T65 V66 Q67 A72 C73 W93 E96 L97 W100 I101 | L32-I69 HydrophobicContact CD2-CG2 4.24Å; T65-I69 HydrophobicContact CG2-CD1 3.95Å; T65-I69 WeakPolarHBondContact O-CB 3.41Å; T65-I69 VanDerWaalsContact O-CG1 3.28Å; T65-I69 WeakPolarHBondContact O-CG1 3.02Å; T65-I69 PolarHBondContact O-N 2.82Å; V66-I69 PolarHBondContact O-N 3.06Å; Q67-I69 PolarHBondContact O-N 3.01Å; I69-A72 PolarHBondContact O-N 2.98Å; I69-C73 WeakPolarHBondContact O-CB 3.39Å; I69-C73 PolarHBondContact O-N 2.78Å; I69-C73 PolarHBondContact O-SG 3.15Å; I69-W93 HydrophobicContact CD1-CZ3 4.43Å; I69-W93 HydrophobicContact CG1-CZ3 4.02Å; I69-E96 HydrophobicContact CD1-CB 3.8Å; I69-L97 HydrophobicContact CD1-CD2 4.29Å; I69-L97 HydrophobicContact CD1-CG 4.31Å; I69-L97 HydrophobicContact CG1-CD2 3.97Å; I69-L97 HydrophobicContact CG1-CG 4.48Å; I69-W100 HydrophobicContact CG2-CB 3.94Å; I69-I101 HydrophobicContact CG2-CD1 4.1Å; I69-I101 HydrophobicContact CG2-CG1 4.04Å |
| 70 | A | 94.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.1 | -46.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L28 L32 L36 V44 V66 Q67 A72 C73 A74 | L28-A70 HydrophobicContact CD1-CB 4.09Å; L28-A70 HydrophobicContact CD2-CB 4.49Å; L28-A70 VanDerWaalsContact CD2-O 3.27Å; L28-A70 WeakPolarHBondContact CD2-O 3.47Å; L32-A70 HydrophobicContact CD2-CB 4.05Å; L32-A70 HydrophobicContact CG-CB 4.46Å; L36-A70 HydrophobicContact CD1-CB 4.06Å; V44-A70 HydrophobicContact CG1-CB 4.31Å; V44-A70 HydrophobicContact CG2-CB 3.74Å; V66-A70 PolarHBondContact O-N 3.32Å; Q67-A70 PolarHBondContact O-N 3.18Å; A70-A72 VanDerWaalsContact C-N 3.33Å; A70-A72 PolarHBondContact O-N 3.07Å; A70-C73 WeakPolarHBondContact O-CB 3.49Å; A70-C73 PolarHBondContact O-N 3Å; A70-A74 PolarHBondContact O-N 2.8Å |
| 71 | V | 94.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -63.2 | -38.3 | 175.9 | -176.7 | 0 | 0 | 0 | 0 | 111.7 | V44 A47 Q67 A68 C73 A74 Y75 I183 | V44-V71 HydrophobicContact CB-CG2 4.21Å; V44-V71 HydrophobicContact CG1-CG2 3.9Å; V44-V71 HydrophobicContact CG2-CG2 4.19Å; A47-V71 HydrophobicContact CB-CB 4.38Å; A47-V71 HydrophobicContact CB-CG1 3.89Å; A47-V71 HydrophobicContact CB-CG2 3.49Å; A47-V71 VanDerWaalsContact CB-CG2 3.49Å; Q67-V71 WeakPolarHBondContact O-CG2 3.38Å; Q67-V71 PolarHBondContact O-N 3.3Å; A68-V71 PolarHBondContact O-N 3.27Å; V71-C73 VanDerWaalsContact C-N 3.34Å; V71-A74 PolarHBondContact O-N 3.08Å; V71-Y75 HydrophobicContact CG1-CD2 4.32Å; V71-Y75 HydrophobicContact CG1-CE2 4.11Å; V71-Y75 WeakPolarHBondContact O-CD2 3.13Å; V71-I183 HydrophobicContact CB-CD1 3.91Å; V71-I183 HydrophobicContact CG1-CD1 3.59Å; V71-I183 HydrophobicContact CG1-CG1 4.15Å |
| 72 | A | 94.3 | Very high | 92.9 | Very high | 2 Ų | 2 | 19.7 Ų | 19.7 | 2% | 0.017 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.6 | -34.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A68 I69 A70 Y75 R76 W79 L81 V152 | A68-A72 WeakPolarHBondContact O-CB 3.46Å; A68-A72 PolarHBondContact O-N 3.25Å; I69-A72 PolarHBondContact O-N 2.98Å; A70-A72 VanDerWaalsContact C-N 3.33Å; A70-A72 PolarHBondContact O-N 3.07Å; A72-Y75 CarbonylContact O-C 3.44Å; A72-Y75 PolarHBondContact O-N 3.04Å; A72-R76 PolarHBondContact O-N 3.06Å; A72-W79 HydrophobicContact CB-CZ2 4.45Å; A72-W79 PolarHBondContact O-NE1 3.26Å; A72-L81 HydrophobicContact CB-CD1 4.39Å; A72-L81 HydrophobicContact CB-CD2 4.27Å; A72-V152 HydrophobicContact CB-CG1 4.49Å |
| 73 | C | 92.4 | Very high | 93.4 | Very high | 10 Ų | 10 | 19.8 Ų | 19.8 | 7% | 0.068 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68.8 | -40.5 | 174.3 | -67.4 | 0 | 0 | 0 | 0 | 112.4 | L28 I69 A70 V71 Y75 R76 I101 | L28-C73 HydrophobicContact CD2-CB 3.6Å; I69-C73 WeakPolarHBondContact O-CB 3.39Å; I69-C73 PolarHBondContact O-N 2.78Å; I69-C73 PolarHBondContact O-SG 3.15Å; A70-C73 WeakPolarHBondContact O-CB 3.49Å; A70-C73 PolarHBondContact O-N 3Å; V71-C73 VanDerWaalsContact C-N 3.34Å; C73-Y75 PolarHBondContact O-N 2.92Å; C73-R76 WeakPolarHBondContact O-CB 3.49Å; C73-R76 PolarHBondContact O-N 2.99Å; C73-I101 WeakPolarHBondContact SG-CD1 3.47Å; C73-I101 VanDerWaalsContact SG-CG1 3.59Å |
| 74 | A | 91.6 | Very high | 93.9 | Very high | 18 Ų | 18 | 18.7 Ų | 18.7 | 15% | 0.149 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.8 | -16.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q24 L28 L48 A70 V71 | Q24-A74 PolarHBondContact NE2-O 3.29Å; L28-A74 HydrophobicContact CD2-CB 4.3Å; L48-A74 HydrophobicContact CD2-CB 3.72Å; A70-A74 PolarHBondContact O-N 2.8Å; V71-A74 PolarHBondContact O-N 3.08Å |
| 75 | Y | 92.2 | Very high | 93.9 | Very high | 6 Ų | 6 | 18 Ų | 18 | 2% | 0.024 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | 25.2 | 171.4 | -57.8 | -60.4 | 0 | 0 | 0 | 113.2 | L48 G52 V71 A72 C73 A77 E78 W79 R181 | L48-Y75 HydrophobicContact CD2-CE2 3.92Å; G52-Y75 PolarHBondContact N-OH 3.16Å; V71-Y75 HydrophobicContact CG1-CD2 4.32Å; V71-Y75 HydrophobicContact CG1-CE2 4.11Å; V71-Y75 WeakPolarHBondContact O-CD2 3.13Å; A72-Y75 CarbonylContact O-C 3.44Å; A72-Y75 PolarHBondContact O-N 3.04Å; C73-Y75 PolarHBondContact O-N 2.92Å; Y75-A77 VanDerWaalsContact C-N 3.25Å; Y75-A77 PolarHBondContact O-N 2.94Å; Y75-E78 WeakPolarHBondContact O-CB 3.49Å; Y75-E78 PolarHBondContact O-N 2.94Å; Y75-W79 VanDerWaalsContact O-CD1 3.28Å; Y75-R181 VanDerWaalsContact CD1-CZ 3.47Å; Y75-R181 HydrophobicContact CD2-CG 3.93Å; Y75-R181 VanDerWaalsContact CE1-NH1 3.34Å; Y75-R181 HydrophobicContact CE2-CG 4.48Å; Y75-R181 HydrophobicContact CG-CG 4.02Å |
| 76 | R | 89.4 | Confident | 93.7 | Very high | 57 Ų | 57 | 16.3 Ų | 16.3 | 22% | 0.215 | 10% | 0.1 | C | C | . | . | G | 310 helix | trans | -56.1 | -34.1 | -179 | -177.9 | 168 | 175.9 | 71.3 | -4.8 | 114.2 | A72 C73 E78 W79 E103 | A72-R76 PolarHBondContact O-N 3.06Å; C73-R76 WeakPolarHBondContact O-CB 3.49Å; C73-R76 PolarHBondContact O-N 2.99Å; R76-E78 PolarHBondContact O-N 3.01Å; R76-W79 VanDerWaalsContact NH1-CZ3 3.28Å; R76-W79 PolarHBondContact O-N 3.06Å; R76-E103 IonicContact CZ-OE2 2.67Å; R76-E103 IonicContact NE-OE1 3.71Å; R76-E103 IonicContact NE-OE2 2.73Å; R76-E103 PolarHBondContact NE-OE2 2.96Å; R76-E103 IonicContact NH2-OE2 3.62Å; R76-E103 PolarHBondContact NH2-OE2 2.87Å |
| 77 | A | 89.1 | Confident | 93.1 | Very high | 110 Ų | 110 | 18.6 Ų | 18.6 | 91% | 0.909 | 12% | 0.116 | S | C | * | . | G | 310 helix | trans | -67.3 | -9.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y75 | Y75-A77 VanDerWaalsContact C-N 3.25Å; Y75-A77 PolarHBondContact O-N 2.94Å |
| 78 | E | 92.7 | Very high | 92.3 | Very high | 47 Ų | 47 | 20.5 Ų | 20.5 | 22% | 0.22 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -102.8 | -6.4 | -179.8 | -52.3 | -166.7 | 157.8 | 0 | 0 | 113.8 | Y75 R76 A151 V152 K180 R181 | Y75-E78 WeakPolarHBondContact O-CB 3.49Å; Y75-E78 PolarHBondContact O-N 2.94Å; R76-E78 PolarHBondContact O-N 3.01Å; E78-A151 HydrophobicContact CB-CB 4.47Å; E78-A151 WeakPolarHBondContact O-CB 3.34Å; E78-V152 HydrophobicContact CB-CG2 4.43Å; E78-K180 WeakPolarHBondContact OE1-CE 3.39Å; E78-K180 IonicContact OE1-NZ 3.84Å; E78-K180 PolarHBondContact OE1-NZ 3.13Å; E78-K180 WeakPolarHBondContact OE2-CD 3.45Å; E78-K180 IonicContact OE2-NZ 2.88Å; E78-R181 IonicContact OE1-CZ 3.26Å; E78-R181 IonicContact OE1-NE 3.26Å; E78-R181 IonicContact OE1-NH2 2.8Å; E78-R181 PolarHBondContact OE1-NH2 3.21Å; E78-R181 IonicContact OE2-CZ 3.57Å; E78-R181 IonicContact OE2-NE 2.7Å; E78-R181 PolarHBondContact OE2-NE 2.97Å; E78-R181 IonicContact OE2-NH2 2.76Å; E78-R181 PolarHBondContact OE2-NH2 2.91Å |
| 79 | W | 92.4 | Very high | 91.7 | Very high | 38 Ų | 38 | 21.7 Ų | 21.7 | 14% | 0.144 | 14% | 0.136 | C | C | . | . | trans | -57.4 | 149.1 | -175.9 | -71.3 | 17.2 | 0 | 0 | 0 | 112.1 | A72 Y75 R76 L81 I101 L104 K125 V126 | A72-W79 HydrophobicContact CB-CZ2 4.45Å; A72-W79 PolarHBondContact O-NE1 3.26Å; Y75-W79 VanDerWaalsContact O-CD1 3.28Å; R76-W79 VanDerWaalsContact NH1-CZ3 3.28Å; R76-W79 PolarHBondContact O-N 3.06Å; W79-L81 HydrophobicContact CD2-CB 3.76Å; W79-L81 HydrophobicContact CD2-CD2 4.45Å; W79-L81 HydrophobicContact CE3-CB 4.09Å; W79-L81 HydrophobicContact CG-CB 4.01Å; W79-L81 HydrophobicContact CH2-CD2 3.88Å; W79-L81 HydrophobicContact CZ2-CD2 3.69Å; W79-L81 HydrophobicContact CZ3-CD2 4.34Å; W79-I101 HydrophobicContact CH2-CD1 3.83Å; W79-I101 HydrophobicContact CZ2-CD1 4.36Å; W79-L104 HydrophobicContact CH2-CD2 4.5Å; W79-L104 HydrophobicContact CZ3-CD2 3.98Å; W79-K125 HydrophobicContact CE3-CB 4.2Å; W79-V126 HydrophobicContact CE3-CG2 3.9Å; W79-V126 HydrophobicContact CH2-CG2 3.98Å; W79-V126 HydrophobicContact CZ3-CG2 3.3Å | ||
| 80 | P | 94.8 | Very high | 91.3 | Very high | 31 Ų | 31 | 22.8 Ų | 22.8 | 20% | 0.201 | 14% | 0.141 | C | C | . | . | cis | -81 | 148 | 42.5 | 26 | -34.8 | 0 | 0 | 0 | 116.6 | Q148 F150 A151 V152 | P80-Q148 HydrophobicContact CB-CG 4.45Å; P80-Q148 HydrophobicContact CG-CG 4.15Å; P80-F150 HydrophobicContact CB-CD1 3.83Å; P80-F150 HydrophobicContact CB-CE1 4.08Å; P80-F150 HydrophobicContact CG-CD1 4.24Å; P80-A151 PolarHBondContact O-N 3.05Å; P80-V152 PolarHBondContact O-N 2.86Å | ||
| 81 | L | 96.3 | Very high | 90.9 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 130.9 | 177.9 | 170.2 | 64.2 | 0 | 0 | 0 | 111.3 | A72 W79 V83 K125 V126 T127 V152 V154 | A72-L81 HydrophobicContact CB-CD1 4.39Å; A72-L81 HydrophobicContact CB-CD2 4.27Å; W79-L81 HydrophobicContact CD2-CB 3.76Å; W79-L81 HydrophobicContact CD2-CD2 4.45Å; W79-L81 HydrophobicContact CE3-CB 4.09Å; W79-L81 HydrophobicContact CG-CB 4.01Å; W79-L81 HydrophobicContact CH2-CD2 3.88Å; W79-L81 HydrophobicContact CZ2-CD2 3.69Å; W79-L81 HydrophobicContact CZ3-CD2 4.34Å; L81-V83 HydrophobicContact CD1-CG2 4.18Å; L81-V83 HydrophobicContact CD2-CG2 4.03Å; L81-V83 HydrophobicContact CG-CG2 3.9Å; L81-K125 PolarHBondContact N-O 3.01Å; L81-V126 HydrophobicContact CB-CG2 4.44Å; L81-V126 HydrophobicContact CD2-CG1 3.98Å; L81-V126 HydrophobicContact CD2-CG2 4.17Å; L81-V126 HydrophobicContact CG-CG1 4.18Å; L81-V126 WeakPolarHBondContact O-CA 3.49Å; L81-T127 PolarHBondContact O-N 3.27Å; L81-V152 WeakPolarHBondContact CA-O 3.17Å; L81-V152 HydrophobicContact CD1-CB 3.95Å; L81-V152 HydrophobicContact CD1-CG1 3.62Å; L81-V154 HydrophobicContact CD1-CG2 4Å |
| 82 | L | 97 | Very high | 90.5 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 130.5 | 167.6 | 176 | 65 | 0 | 0 | 0 | 110.2 | V84 T127 L129 L145 F150 V152 V153 V154 | L82-V84 HydrophobicContact CD1-CG2 4.24Å; L82-V84 HydrophobicContact CD2-CG2 4.04Å; L82-V84 HydrophobicContact CG-CG2 3.88Å; L82-T127 WeakPolarHBondContact CA-O 3.38Å; L82-T127 HydrophobicContact CD1-CG2 4Å; L82-L129 HydrophobicContact CD1-CB 4.11Å; L82-L129 HydrophobicContact CD1-CD2 4.32Å; L82-L145 HydrophobicContact CD1-CD2 4.1Å; L82-F150 HydrophobicContact CB-CB 4.01Å; L82-F150 HydrophobicContact CB-CD1 3.6Å; L82-F150 HydrophobicContact CB-CD2 3.93Å; L82-F150 HydrophobicContact CB-CE1 3.95Å; L82-F150 HydrophobicContact CB-CE2 4.25Å; L82-F150 HydrophobicContact CB-CG 3.57Å; L82-F150 HydrophobicContact CB-CZ 4.26Å; L82-F150 HydrophobicContact CD1-CE2 4.34Å; L82-F150 HydrophobicContact CD1-CZ 4.29Å; L82-F150 HydrophobicContact CD2-CD2 4.03Å; L82-F150 HydrophobicContact CD2-CE2 4.3Å; L82-F150 HydrophobicContact CD2-CG 4.45Å; L82-F150 HydrophobicContact CG-CD2 4.45Å; L82-V152 PolarHBondContact N-O 3.5Å; L82-V153 HydrophobicContact CB-CG2 4.28Å; L82-V153 HydrophobicContact CD2-CG1 4.37Å; L82-V153 HydrophobicContact CD2-CG2 4.48Å; L82-V153 CarbonylContact O-C 3.04Å; L82-V153 WeakPolarHBondContact O-CA 3.47Å; L82-V154 PolarHBondContact O-N 2.84Å |
| 83 | V | 97.6 | Very high | 90.4 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.006 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 115.1 | 175 | -168.5 | 0 | 0 | 0 | 0 | 109 | L81 V85 W93 L97 V126 T127 V128 L129 V154 | L81-V83 HydrophobicContact CD1-CG2 4.18Å; L81-V83 HydrophobicContact CD2-CG2 4.03Å; L81-V83 HydrophobicContact CG-CG2 3.9Å; V83-V85 HydrophobicContact CG1-CG1 3.87Å; V83-W93 HydrophobicContact CG1-CD2 3.94Å; V83-W93 HydrophobicContact CG1-CE3 3.66Å; V83-W93 HydrophobicContact CG1-CH2 4.48Å; V83-W93 HydrophobicContact CG1-CZ3 3.95Å; V83-L97 HydrophobicContact CG2-CD1 4.44Å; V83-V126 HydrophobicContact CG2-CG1 4.21Å; V83-T127 PolarHBondContact N-O 3.41Å; V83-V128 HydrophobicContact CB-CG2 4.43Å; V83-V128 WeakPolarHBondContact O-CA 3.39Å; V83-L129 PolarHBondContact O-N 3.23Å; V83-V154 WeakPolarHBondContact CA-O 3.17Å; V83-V154 HydrophobicContact CG1-CB 4.26Å; V83-V154 HydrophobicContact CG1-CG1 4.26Å; V83-V154 HydrophobicContact CG2-CB 4.44Å |
| 84 | V | 96.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 126.6 | -179.7 | -171.6 | 0 | 0 | 0 | 0 | 110.6 | L82 L129 Y131 L134 V154 D156 L172 | L82-V84 HydrophobicContact CD1-CG2 4.24Å; L82-V84 HydrophobicContact CD2-CG2 4.04Å; L82-V84 HydrophobicContact CG-CG2 3.88Å; V84-L129 WeakPolarHBondContact CA-O 3.39Å; V84-L129 HydrophobicContact CG2-CB 4.43Å; V84-L129 HydrophobicContact CG2-CD2 4.37Å; V84-Y131 HydrophobicContact CG1-CD1 3.84Å; V84-Y131 HydrophobicContact CG1-CE1 3.77Å; V84-Y131 HydrophobicContact CG1-CG 4.33Å; V84-L134 HydrophobicContact CG1-CD1 4.15Å; V84-V154 PolarHBondContact N-O 2.83Å; V84-D156 PolarHBondContact O-N 2.9Å; V84-L172 HydrophobicContact CB-CD2 4.19Å; V84-L172 HydrophobicContact CG1-CD2 3.92Å; V84-L172 HydrophobicContact CG2-CD1 3.87Å; V84-L172 HydrophobicContact CG2-CD2 4.18Å |
| 85 | V | 93.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 160.7 | -167.5 | -56.9 | 0 | 0 | 0 | 0 | 113.4 | V83 L89 K90 W93 V128 L129 G130 Y131 D156 | V83-V85 HydrophobicContact CG1-CG1 3.87Å; V85-L89 HydrophobicContact CB-CB 4.28Å; V85-K90 HydrophobicContact CG2-CB 4.46Å; V85-K90 HydrophobicContact CG2-CG 4Å; V85-W93 HydrophobicContact CG1-CB 4.49Å; V85-W93 HydrophobicContact CG1-CD2 4.25Å; V85-W93 HydrophobicContact CG1-CG 3.87Å; V85-V128 HydrophobicContact CG2-CG1 4.24Å; V85-L129 PolarHBondContact N-O 2.59Å; V85-G130 WeakPolarHBondContact O-CA 3.46Å; V85-Y131 VanDerWaalsContact C-CD2 3.46Å; V85-Y131 WeakPolarHBondContact O-CD2 3.17Å; V85-Y131 PolarHBondContact O-N 3.49Å; V85-D156 HydrophobicContact CG1-CB 4.07Å |
| 86 | P | 88.1 | Confident | 90.1 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.019 | 19% | 0.189 | C | C | . | . | trans | -58.5 | 148.3 | 162.2 | -25.1 | 36.2 | 0 | 0 | 0 | 112.7 | S88 L89 Y131 E157 | P86-S88 PolarHBondContact O-N 3.33Å; P86-S88 VanDerWaalsContact O-N 3.09Å; P86-L89 HydrophobicContact CB-CD1 4.39Å; P86-L89 HydrophobicContact CG-CD1 4.07Å; P86-L89 PolarHBondContact O-N 3.24Å; P86-Y131 HydrophobicContact CG-CD2 4.35Å; P86-Y131 HydrophobicContact CG-CE2 4.29Å; P86-E157 HydrophobicContact CG-CB 3.94Å; P86-E157 HydrophobicContact CG-CG 4.16Å | ||
| 87 | S | 81.1 | Confident | 90.2 | Very high | 66 Ų | 66 | 31.2 Ų | 31.2 | 46% | 0.462 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -24.8 | -173.6 | -53.2 | 0 | 0 | 0 | 0 | 115 | L89 | S87-L89 VanDerWaalsContact C-N 3.35Š|
| 88 | S | 77.2 | Confident | 90.3 | Very high | 39 Ų | 39 | 26 Ų | 26 | 27% | 0.273 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -16.1 | 174.7 | 48.3 | 0 | 0 | 0 | 0 | 113.8 | P86 | P86-S88 PolarHBondContact O-N 3.33Å; P86-S88 VanDerWaalsContact O-N 3.09Å |
| 89 | L | 84.9 | Confident | 90 | Very high | 26 Ų | 26 | 27.7 Ų | 27.7 | 14% | 0.136 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -2.8 | -174.7 | -79.7 | 175.3 | 0 | 0 | 0 | 113.7 | V85 P86 S87 Y91 P92 W93 | V85-L89 HydrophobicContact CB-CB 4.28Å; P86-L89 HydrophobicContact CB-CD1 4.39Å; P86-L89 HydrophobicContact CG-CD1 4.07Å; P86-L89 PolarHBondContact O-N 3.24Å; S87-L89 VanDerWaalsContact C-N 3.35Å; L89-Y91 PolarHBondContact O-N 3.18Å; L89-P92 HydrophobicContact CD2-CB 4.44Å; L89-W93 WeakPolarHBondContact O-CB 3.43Å; L89-W93 PolarHBondContact O-N 3.28Å; L89-W93 VanDerWaalsContact O-N 3.1Å |
| 90 | K | 87.1 | Confident | 89.9 | Confident | 24 Ų | 24 | 26.6 Ų | 26.6 | 10% | 0.104 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -52.3 | -54.2 | 178.8 | -61.4 | -165.4 | -37.5 | 161.1 | 0 | 113.2 | V85 I94 L111 E113 | V85-K90 HydrophobicContact CG2-CB 4.46Å; V85-K90 HydrophobicContact CG2-CG 4Å; K90-I94 WeakPolarHBondContact O-CG1 3.42Å; K90-I94 PolarHBondContact O-N 3.44Å; K90-L111 HydrophobicContact CB-CD1 3.89Å; K90-L111 HydrophobicContact CD-CD1 3.79Å; K90-L111 HydrophobicContact CG-CD1 4.22Å; K90-E113 IonicContact NZ-OE1 2.69Å; K90-E113 PolarHBondContact NZ-OE1 3.3Å |
| 91 | Y | 84.8 | Confident | 89.6 | Confident | 91 Ų | 91 | 25.2 Ų | 25.2 | 36% | 0.357 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -74 | -45.9 | -176 | -62.6 | -81.9 | 0 | 0 | 0 | 112.8 | L89 W93 I94 E95 L111 E113 Y751 | L89-Y91 PolarHBondContact O-N 3.18Å; Y91-W93 PolarHBondContact O-N 2.79Å; Y91-I94 PolarHBondContact O-N 2.82Å; Y91-E95 PolarHBondContact O-N 3.32Å; Y91-L111 HydrophobicContact CD1-CD2 4.21Å; Y91-L111 HydrophobicContact CE1-CD2 3.56Å; Y91-L111 HydrophobicContact CE2-CD2 4.47Å; Y91-E113 PolarHBondContact OH-OE1 2.95Å; Y91-Y751 WeakPolarHBondContact CD1-O 3.33Å |
| 92 | P | 86.8 | Confident | 88.8 | Confident | 46 Ų | 46 | 27.2 Ų | 27.2 | 30% | 0.299 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -56.5 | -33.2 | 173.7 | -29.2 | 36.3 | 0 | 0 | 0 | 114.6 | L89 E96 | L89-P92 HydrophobicContact CD2-CB 4.44Å; P92-E96 WeakPolarHBondContact O-CG 3.12Å; P92-E96 PolarHBondContact O-N 3.49Å |
| 93 | W | 92.1 | Very high | 88.2 | Confident | 4 Ų | 4 | 31.3 Ų | 31.3 | 2% | 0.015 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69.4 | -35.8 | 174.3 | -95.5 | 90 | 0 | 0 | 0 | 113.2 | T65 A68 I69 V83 V85 L89 Y91 L97 V154 D156 L185 | T65-W93 HydrophobicContact CG2-CD2 3.96Å; T65-W93 HydrophobicContact CG2-CE3 3.99Å; T65-W93 HydrophobicContact CG2-CH2 3.91Å; T65-W93 HydrophobicContact CG2-CZ2 3.84Å; T65-W93 HydrophobicContact CG2-CZ3 3.97Å; A68-W93 HydrophobicContact CB-CH2 3.94Å; I69-W93 HydrophobicContact CD1-CZ3 4.43Å; I69-W93 HydrophobicContact CG1-CZ3 4.02Å; V83-W93 HydrophobicContact CG1-CD2 3.94Å; V83-W93 HydrophobicContact CG1-CE3 3.66Å; V83-W93 HydrophobicContact CG1-CH2 4.48Å; V83-W93 HydrophobicContact CG1-CZ3 3.95Å; V85-W93 HydrophobicContact CG1-CB 4.49Å; V85-W93 HydrophobicContact CG1-CD2 4.25Å; V85-W93 HydrophobicContact CG1-CG 3.87Å; L89-W93 WeakPolarHBondContact O-CB 3.43Å; L89-W93 PolarHBondContact O-N 3.28Å; L89-W93 VanDerWaalsContact O-N 3.1Å; Y91-W93 PolarHBondContact O-N 2.79Å; W93-L97 WeakPolarHBondContact O-CB 3.37Å; W93-L97 WeakPolarHBondContact O-CD1 3.4Å; W93-L97 WeakPolarHBondContact O-CG 3.27Å; W93-L97 PolarHBondContact O-N 2.94Å; W93-V154 HydrophobicContact CH2-CG1 3.74Å; W93-V154 HydrophobicContact CZ2-CG1 4.44Å; W93-V154 HydrophobicContact CZ3-CG1 4.21Å; W93-D156 HydrophobicContact CZ2-CB 3.87Å; W93-D156 PolarHBondContact NE1-OD2 2.35Å; W93-L185 HydrophobicContact CH2-CD1 3.63Å; W93-L185 HydrophobicContact CZ2-CD1 3.58Å |
| 94 | I | 90.8 | Very high | 87.7 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.8 | -45.7 | 174 | -63.3 | 166.2 | 0 | 0 | 0 | 109.5 | K90 Y91 E96 L97 E98 V109 L111 V128 Y751 T752 | K90-I94 WeakPolarHBondContact O-CG1 3.42Å; K90-I94 PolarHBondContact O-N 3.44Å; Y91-I94 PolarHBondContact O-N 2.82Å; I94-E96 PolarHBondContact O-N 3.23Å; I94-L97 WeakPolarHBondContact O-CB 3.36Å; I94-L97 PolarHBondContact O-N 2.79Å; I94-L97 VanDerWaalsContact O-N 3.13Å; I94-E98 HydrophobicContact CG2-CG 4.03Å; I94-E98 WeakPolarHBondContact O-CG 3.42Å; I94-E98 PolarHBondContact O-N 3.41Å; I94-V109 HydrophobicContact CD1-CG1 4.45Å; I94-V109 HydrophobicContact CG1-CG1 4.12Å; I94-V109 HydrophobicContact CG2-CG1 4.18Å; I94-L111 HydrophobicContact CD1-CB 3.99Å; I94-L111 HydrophobicContact CD1-CD1 4.14Å; I94-L111 HydrophobicContact CD1-CD2 4.03Å; I94-L111 HydrophobicContact CD1-CG 4.26Å; I94-V128 HydrophobicContact CG1-CB 4.44Å; I94-V128 HydrophobicContact CG1-CG2 3.91Å; I94-Y751 HydrophobicContact CD1-CD2 3.93Å; I94-Y751 HydrophobicContact CD1-CG 3.98Å; I94-Y751 HydrophobicContact CG2-CD2 4.42Å; I94-T752 HydrophobicContact CB-CG2 4.29Å; I94-T752 HydrophobicContact CG2-CG2 3.82Å |
| 95 | E | 87.8 | Confident | 87.1 | Confident | 83 Ų | 83 | 33.2 Ų | 33.2 | 39% | 0.388 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -56.8 | -46.5 | 178.5 | -173.6 | 179.5 | -178.2 | 0 | 0 | 112.8 | Y91 R99 T752 | Y91-E95 PolarHBondContact O-N 3.32Å; E95-R99 WeakPolarHBondContact O-CB 3.48Å; E95-R99 PolarHBondContact O-N 2.67Å; E95-T752 HydrophobicContact CB-CG2 4.08Å |
| 96 | E | 91.1 | Very high | 86.5 | Confident | 44 Ų | 44 | 33.5 Ų | 33.5 | 21% | 0.206 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68.2 | -36.2 | 175.1 | -73 | -79.2 | 113.5 | 0 | 0 | 112.4 | T65 I69 P92 I94 R99 W100 | T65-E96 HydrophobicContact CG2-CB 4.15Å; T65-E96 HydrophobicContact CG2-CG 4.3Å; I69-E96 HydrophobicContact CD1-CB 3.8Å; P92-E96 WeakPolarHBondContact O-CG 3.12Å; P92-E96 PolarHBondContact O-N 3.49Å; I94-E96 PolarHBondContact O-N 3.23Å; E96-R99 PolarHBondContact O-N 2.91Å; E96-R99 IonicContact OE1-NH1 3.63Å; E96-W100 WeakPolarHBondContact O-CB 3.08Å; E96-W100 PolarHBondContact O-N 3.05Å; E96-W100 PolarHBondContact OE2-NE1 2.7Å |
| 97 | L | 92.3 | Very high | 86.1 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.9 | -46.7 | 174.2 | -78.7 | 164.5 | 0 | 0 | 0 | 111.9 | I69 V83 W93 I94 R99 I101 L104 V126 V128 | I69-L97 HydrophobicContact CD1-CD2 4.29Å; I69-L97 HydrophobicContact CD1-CG 4.31Å; I69-L97 HydrophobicContact CG1-CD2 3.97Å; I69-L97 HydrophobicContact CG1-CG 4.48Å; V83-L97 HydrophobicContact CG2-CD1 4.44Å; W93-L97 WeakPolarHBondContact O-CB 3.37Å; W93-L97 WeakPolarHBondContact O-CD1 3.4Å; W93-L97 WeakPolarHBondContact O-CG 3.27Å; W93-L97 PolarHBondContact O-N 2.94Å; I94-L97 WeakPolarHBondContact O-CB 3.36Å; I94-L97 PolarHBondContact O-N 2.79Å; I94-L97 VanDerWaalsContact O-N 3.13Å; L97-R99 VanDerWaalsContact C-N 3.31Å; L97-R99 PolarHBondContact O-N 2.84Å; L97-I101 HydrophobicContact CD2-CD1 3.77Å; L97-I101 VanDerWaalsContact O-CB 3.31Å; L97-I101 WeakPolarHBondContact O-CB 3.4Å; L97-I101 WeakPolarHBondContact O-CG1 3.07Å; L97-I101 PolarHBondContact O-N 2.77Å; L97-L104 HydrophobicContact CB-CD1 4.25Å; L97-V126 HydrophobicContact CD1-CG1 4.09Å; L97-V128 HydrophobicContact CD1-CG2 4.45Å |
| 98 | E | 90.3 | Very high | 86.4 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.8 | -32 | 177.5 | -64.6 | -178.9 | 150.6 | 0 | 0 | 112 | I94 S749 T752 Y756 | I94-E98 HydrophobicContact CG2-CG 4.03Å; I94-E98 WeakPolarHBondContact O-CG 3.42Å; I94-E98 PolarHBondContact O-N 3.41Å; E98-S749 WeakPolarHBondContact OE1-CB 3.22Å; E98-S749 PolarHBondContact OE1-OG 3.38Å; E98-S749 PolarHBondContact OE2-OG 3.37Å; E98-T752 WeakPolarHBondContact OE2-CB 3.48Å; E98-T752 WeakPolarHBondContact OE2-CG2 3.45Å; E98-T752 PolarHBondContact OE2-OG1 2.73Å; E98-Y756 WeakPolarHBondContact CB-OH 3.44Å; E98-Y756 WeakPolarHBondContact CG-OH 3.14Å |
| 99 | R | 88.1 | Confident | 87 | Confident | 83 Ų | 83 | 30.9 Ų | 30.9 | 31% | 0.313 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -72.4 | -45 | 177.8 | -172.9 | -179.2 | -162.6 | -179 | 6.4 | 113.3 | E95 E96 L97 D781 | E95-R99 WeakPolarHBondContact O-CB 3.48Å; E95-R99 PolarHBondContact O-N 2.67Å; E96-R99 PolarHBondContact O-N 2.91Å; E96-R99 IonicContact OE1-NH1 3.63Å; L97-R99 VanDerWaalsContact C-N 3.31Å; L97-R99 PolarHBondContact O-N 2.84Å; R99-D781 IonicContact NE-OD1 3.08Å; R99-D781 IonicContact NE-OD2 3.9Å |
| 100 | W | 89.5 | Confident | 87.2 | Confident | 15 Ų | 15 | 29.7 Ų | 29.7 | 6% | 0.057 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -92.3 | -15.5 | -173.7 | -62.6 | 119.8 | 0 | 0 | 0 | 113.9 | K31 L32 R35 I69 E96 P102 | K31-W100 HydrophobicContact CG-CZ3 4.1Å; L32-W100 HydrophobicContact CB-CE3 4.17Å; L32-W100 HydrophobicContact CD1-CB 4.15Å; L32-W100 HydrophobicContact CD1-CD2 3.98Å; L32-W100 HydrophobicContact CD1-CE3 3.99Å; L32-W100 HydrophobicContact CD1-CG 4.01Å; L32-W100 HydrophobicContact CD2-CB 4.38Å; R35-W100 HydrophobicContact CB-CH2 4.04Å; R35-W100 HydrophobicContact CB-CZ3 3.94Å; R35-W100 HydrophobicContact CG-CH2 3.62Å; R35-W100 HydrophobicContact CG-CZ2 4.33Å; R35-W100 HydrophobicContact CG-CZ3 4.07Å; I69-W100 HydrophobicContact CG2-CB 3.94Å; E96-W100 WeakPolarHBondContact O-CB 3.08Å; E96-W100 PolarHBondContact O-N 3.05Å; E96-W100 PolarHBondContact OE2-NE1 2.7Å; W100-P102 WeakPolarHBondContact O-CD 3.07Å |
| 101 | I | 88.5 | Confident | 87.3 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | trans | -121.1 | 76.3 | 179.7 | -40.9 | -179.3 | 0 | 0 | 0 | 109.6 | I69 C73 W79 L97 E103 L104 | I69-I101 HydrophobicContact CG2-CD1 4.1Å; I69-I101 HydrophobicContact CG2-CG1 4.04Å; C73-I101 WeakPolarHBondContact SG-CD1 3.47Å; C73-I101 VanDerWaalsContact SG-CG1 3.59Å; W79-I101 HydrophobicContact CH2-CD1 3.83Å; W79-I101 HydrophobicContact CZ2-CD1 4.36Å; L97-I101 HydrophobicContact CD2-CD1 3.77Å; L97-I101 VanDerWaalsContact O-CB 3.31Å; L97-I101 WeakPolarHBondContact O-CB 3.4Å; L97-I101 WeakPolarHBondContact O-CG1 3.07Å; L97-I101 PolarHBondContact O-N 2.77Å; I101-E103 PolarHBondContact O-N 2.83Å; I101-L104 HydrophobicContact CB-CD1 3.88Å; I101-L104 HydrophobicContact CB-CG 3.88Å; I101-L104 HydrophobicContact CD1-CD1 4.1Å; I101-L104 HydrophobicContact CG1-CD1 4.46Å; I101-L104 HydrophobicContact CG2-CD1 4.24Å; I101-L104 HydrophobicContact CG2-CD2 4.44Å; I101-L104 HydrophobicContact CG2-CG 3.79Å; I101-L104 WeakPolarHBondContact O-CB 3.38Å; I101-L104 PolarHBondContact O-N 2.83Å | ||
| 102 | P | 80.3 | Confident | 87.3 | Confident | 43 Ų | 43 | 24.2 Ų | 24.2 | 28% | 0.279 | 13% | 0.126 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -19.3 | -170.8 | 22.3 | -33.9 | 0 | 0 | 0 | 115.1 | W100 L104 N766 | W100-P102 WeakPolarHBondContact O-CD 3.07Å; P102-L104 VanDerWaalsContact C-N 3.29Å; P102-L104 PolarHBondContact O-N 3.35Å; P102-N766 HydrophobicContact CB-CB 4.35Å; P102-N766 VanDerWaalsContact CB-O 3.24Å; P102-N766 WeakPolarHBondContact CB-O 3.25Å |
| 103 | E | 84.1 | Confident | 86.8 | Confident | 87 Ų | 87 | 26.4 Ų | 26.4 | 41% | 0.407 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -20.1 | 174 | -63 | 165.3 | -134.7 | 0 | 0 | 114 | R76 I101 Q105 | R76-E103 IonicContact CZ-OE2 2.67Å; R76-E103 IonicContact NE-OE1 3.71Å; R76-E103 IonicContact NE-OE2 2.73Å; R76-E103 PolarHBondContact NE-OE2 2.96Å; R76-E103 IonicContact NH2-OE2 3.62Å; R76-E103 PolarHBondContact NH2-OE2 2.87Å; I101-E103 PolarHBondContact O-N 2.83Å; E103-Q105 PolarHBondContact O-N 2.78Å; E103-Q105 PolarHBondContact O-NE2 3.02Å |
| 104 | L | 86.4 | Confident | 86 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -69.2 | 115.6 | -177.8 | -70.7 | -177.1 | 0 | 0 | 0 | 111 | W79 L97 I101 P102 D108 V109 V126 Y756 | W79-L104 HydrophobicContact CH2-CD2 4.5Å; W79-L104 HydrophobicContact CZ3-CD2 3.98Å; L97-L104 HydrophobicContact CB-CD1 4.25Å; I101-L104 HydrophobicContact CB-CD1 3.88Å; I101-L104 HydrophobicContact CB-CG 3.88Å; I101-L104 HydrophobicContact CD1-CD1 4.1Å; I101-L104 HydrophobicContact CG1-CD1 4.46Å; I101-L104 HydrophobicContact CG2-CD1 4.24Å; I101-L104 HydrophobicContact CG2-CD2 4.44Å; I101-L104 HydrophobicContact CG2-CG 3.79Å; I101-L104 WeakPolarHBondContact O-CB 3.38Å; I101-L104 PolarHBondContact O-N 2.83Å; P102-L104 VanDerWaalsContact C-N 3.29Å; P102-L104 PolarHBondContact O-N 3.35Å; L104-D108 HydrophobicContact CD2-CB 4.07Å; L104-V109 HydrophobicContact CD1-CG2 4.28Å; L104-V126 HydrophobicContact CD1-CG2 4.49Å; L104-V126 HydrophobicContact CD2-CG2 4.31Å; L104-Y756 WeakPolarHBondContact O-CE1 3.48Å; L104-Y756 PolarHBondContact O-OH 2.82Å | ||
| 105 | Q | 84.8 | Confident | 85.2 | Confident | 40 Ų | 40 | 31.5 Ų | 31.5 | 19% | 0.187 | 16% | 0.16 | C | C | . | . | trans | -80.5 | 155.9 | 174.9 | -54.2 | -55.3 | -62.9 | 0 | 0 | 110.5 | E103 G107 D108 Y758 | E103-Q105 PolarHBondContact O-N 2.78Å; E103-Q105 PolarHBondContact O-NE2 3.02Å; Q105-G107 PolarHBondContact O-N 3.23Å; Q105-D108 PolarHBondContact N-OD2 3.14Å; Q105-D108 WeakPolarHBondContact O-CB 3.37Å; Q105-D108 PolarHBondContact O-N 2.87Å; Q105-Y758 PolarHBondContact OE1-OH 2.61Å | ||
| 106 | P | 80.8 | Confident | 84 | Confident | 7 Ų | 7 | 29.3 Ų | 29.3 | 5% | 0.045 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -18.9 | 176 | -29.6 | 35.4 | 0 | 0 | 0 | 115.7 | R750 Y756 | P106-R750 HydrophobicContact CB-CG 4.42Å; P106-R750 WeakPolarHBondContact O-CD 3.47Å; P106-R750 WeakPolarHBondContact O-CG 3.41Å; P106-R750 PolarHBondContact O-NE 2.65Å; P106-Y756 HydrophobicContact CG-CD2 3.58Å; P106-Y756 HydrophobicContact CG-CE2 3.69Å; P106-Y756 HydrophobicContact CG-CG 4.19Å |
| 107 | G | 79.7 | Confident | 82.9 | Confident | 31 Ų | 31 | 27.8 Ų | 27.8 | 32% | 0.32 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -17.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116 | Q105 V109 S124 | Q105-G107 PolarHBondContact O-N 3.23Å; G107-V109 VanDerWaalsContact C-N 3.33Å; G107-V109 PolarHBondContact O-N 3.25Å; G107-S124 PolarHBondContact O-OG 3.03Å |
| 108 | D | 86.7 | Confident | 81.8 | Confident | 20 Ų | 20 | 28.8 Ų | 28.8 | 11% | 0.107 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -22.6 | -174.8 | -73.3 | -29.6 | 0 | 0 | 0 | 113.2 | L104 Q105 S124 K125 V126 | L104-D108 HydrophobicContact CD2-CB 4.07Å; Q105-D108 PolarHBondContact N-OD2 3.14Å; Q105-D108 WeakPolarHBondContact O-CB 3.37Å; Q105-D108 PolarHBondContact O-N 2.87Å; D108-S124 WeakPolarHBondContact O-CB 3.42Å; D108-K125 HydrophobicContact CB-CB 4.27Å; D108-K125 HydrophobicContact CB-CD 4.07Å; D108-K125 HydrophobicContact CB-CG 4.27Å; D108-K125 PolarHBondContact O-N 2.94Å; D108-K125 VanDerWaalsContact OD1-CD 3.31Å; D108-K125 WeakPolarHBondContact OD1-CD 3.37Å; D108-K125 WeakPolarHBondContact OD1-CE 3.25Å; D108-K125 IonicContact OD1-NZ 2.76Å; D108-K125 PolarHBondContact OD1-NZ 3.27Å; D108-K125 IonicContact OD2-NZ 2.7Å; D108-K125 PolarHBondContact OD2-NZ 2.94Å; D108-V126 PolarHBondContact O-N 3.44Å |
| 109 | V | 89.4 | Confident | 80.5 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 131.7 | -179 | -174.7 | 0 | 0 | 0 | 0 | 109.9 | I94 L104 G107 V126 V128 Y751 | I94-V109 HydrophobicContact CD1-CG1 4.45Å; I94-V109 HydrophobicContact CG1-CG1 4.12Å; I94-V109 HydrophobicContact CG2-CG1 4.18Å; L104-V109 HydrophobicContact CD1-CG2 4.28Å; G107-V109 VanDerWaalsContact C-N 3.33Å; G107-V109 PolarHBondContact O-N 3.25Å; V109-V126 HydrophobicContact CG2-CB 4.41Å; V109-V128 HydrophobicContact CG1-CG2 4.39Å; V109-Y751 HydrophobicContact CG1-CD2 4.49Å; V109-Y751 HydrophobicContact CG1-CE2 4.43Å |
| 110 | N | 89.9 | Confident | 79.7 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 127.6 | 170 | 174.9 | 29.3 | 0 | 0 | 0 | 110.3 | H117 D120 I121 S124 V126 T127 V128 | N110-H117 PolarHBondContact OD1-CE1 2.88Å; N110-H117 PolarHBondContact OD1-NE2 2.69Å; N110-D120 HydrophobicContact CB-CB 4.36Å; N110-I121 PolarHBondContact ND2-N 3.17Å; N110-S124 WeakPolarHBondContact CB-OG 3.25Å; N110-V126 PolarHBondContact N-O 3.34Å; N110-T127 CarbonylContact O-C 3.34Å; N110-T127 WeakPolarHBondContact O-CA 3.48Å; N110-V128 PolarHBondContact O-N 2.8Å |
| 111 | L | 88.5 | Confident | 79.2 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 112.6 | 172.8 | 176.6 | 58.1 | 0 | 0 | 0 | 110.1 | K90 Y91 I94 E113 H117 V128 Y751 | K90-L111 HydrophobicContact CB-CD1 3.89Å; K90-L111 HydrophobicContact CD-CD1 3.79Å; K90-L111 HydrophobicContact CG-CD1 4.22Å; Y91-L111 HydrophobicContact CD1-CD2 4.21Å; Y91-L111 HydrophobicContact CE1-CD2 3.56Å; Y91-L111 HydrophobicContact CE2-CD2 4.47Å; I94-L111 HydrophobicContact CD1-CB 3.99Å; I94-L111 HydrophobicContact CD1-CD1 4.14Å; I94-L111 HydrophobicContact CD1-CD2 4.03Å; I94-L111 HydrophobicContact CD1-CG 4.26Å; L111-E113 HydrophobicContact CD2-CG 4.37Å; L111-E113 HydrophobicContact CG-CG 4.13Å; L111-E113 PolarHBondContact O-N 3.13Å; L111-H117 PolarHBondContact O-CE1 3.01Å; L111-H117 PolarHBondContact O-ND1 3.08Å; L111-V128 HydrophobicContact CD1-CB 4.07Å; L111-V128 HydrophobicContact CD1-CG1 3.98Å; L111-Y751 HydrophobicContact CB-CD1 3.98Å; L111-Y751 HydrophobicContact CB-CD2 4.31Å; L111-Y751 HydrophobicContact CB-CE1 3.56Å; L111-Y751 HydrophobicContact CB-CE2 3.92Å; L111-Y751 HydrophobicContact CB-CG 4.33Å; L111-Y751 HydrophobicContact CD2-CD1 3.88Å; L111-Y751 HydrophobicContact CD2-CE1 4.15Å; L111-Y751 HydrophobicContact CD2-CG 4.4Å; L111-Y751 HydrophobicContact CG-CE1 4.42Å; L111-Y751 PolarHBondContact N-OH 3.32Å; L111-Y751 VanDerWaalsContact N-OH 3.1Å |
| 112 | V | 85.9 | Confident | 78.6 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 109.9 | 176.7 | -171.4 | 0 | 0 | 0 | 0 | 109.7 | H117 I121 T127 V128 L129 L133 L141 | V112-H117 HydrophobicContact CG1-CB 4.34Å; V112-I121 HydrophobicContact CG2-CD1 4.2Å; V112-I121 HydrophobicContact CG2-CG1 4.35Å; V112-T127 HydrophobicContact CG2-CG2 3.63Å; V112-V128 PolarHBondContact N-O 2.9Å; V112-L129 HydrophobicContact CB-CD1 3.84Å; V112-L129 HydrophobicContact CG1-CD1 3.96Å; V112-L129 HydrophobicContact CG2-CD1 4.25Å; V112-L133 HydrophobicContact CB-CD1 4.34Å; V112-L133 HydrophobicContact CG1-CD1 3.75Å; V112-L133 WeakPolarHBondContact O-CD1 3.31Å; V112-L141 HydrophobicContact CG1-CD1 3.86Å; V112-L141 HydrophobicContact CG1-CD2 4.28Å |
| 113 | E | 76.4 | Confident | 78.4 | Confident | 93 Ų | 93 | 35.4 Ų | 35.4 | 44% | 0.435 | 21% | 0.206 | S | C | . | . | trans | -97.9 | -30.8 | -178.1 | -60.2 | -119.5 | 82.8 | 0 | 0 | 113 | K90 Y91 L111 H117 | K90-E113 IonicContact NZ-OE1 2.69Å; K90-E113 PolarHBondContact NZ-OE1 3.3Å; Y91-E113 PolarHBondContact OH-OE1 2.95Å; L111-E113 HydrophobicContact CD2-CG 4.37Å; L111-E113 HydrophobicContact CG-CG 4.13Å; L111-E113 PolarHBondContact O-N 3.13Å; E113-H117 PolarHBondContact N-ND1 3.21Å | ||
| 114 | S | 75.7 | Confident | 78.5 | Confident | 43 Ų | 43 | 31.6 Ų | 31.6 | 30% | 0.301 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -130.5 | 154.3 | -174.3 | 175.1 | 0 | 0 | 0 | 0 | 111.9 | S116 H117 | S114-S116 PolarHBondContact O-N 3.25Å; S114-S116 VanDerWaalsContact O-N 3.16Å; S114-S116 PolarHBondContact OG-N 3.44Å; S114-S116 VanDerWaalsContact OG-N 3.15Å; S114-S116 PolarHBondContact OG-OG 3.19Å; S114-H117 WeakPolarHBondContact O-CB 3.37Å; S114-H117 PolarHBondContact O-N 2.87Å |
| 115 | K | 73.7 | Confident | 78.7 | Confident | 67 Ų | 67 | 36 Ų | 36 | 29% | 0.291 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -18.7 | 169.3 | -63.8 | 175.3 | 176.8 | 175.2 | 0 | 113.5 | L133 T135 D137 A138 | K115-L133 HydrophobicContact CG-CD2 4.21Å; K115-T135 WeakPolarHBondContact CE-OG1 3.38Å; K115-T135 PolarHBondContact NZ-OG1 3.11Å; K115-D137 VanDerWaalsContact NZ-CG 3.27Å; K115-D137 IonicContact NZ-OD1 3.6Å; K115-D137 PolarHBondContact NZ-OD1 3.09Å; K115-D137 IonicContact NZ-OD2 3.44Å; K115-D137 PolarHBondContact NZ-OD2 3.46Å; K115-A138 HydrophobicContact CB-CB 4.3Å; K115-A138 HydrophobicContact CD-CB 3.95Å; K115-A138 HydrophobicContact CG-CB 3.89Å |
| 116 | S | 62.3 | Low | 79.1 | Confident | 38 Ų | 38 | 34 Ų | 34 | 27% | 0.266 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -0.8 | 175.6 | 66.4 | 0 | 0 | 0 | 0 | 113.9 | S114 T118 | S114-S116 PolarHBondContact O-N 3.25Å; S114-S116 VanDerWaalsContact O-N 3.16Å; S114-S116 PolarHBondContact OG-N 3.44Å; S114-S116 VanDerWaalsContact OG-N 3.15Å; S114-S116 PolarHBondContact OG-OG 3.19Å; S116-T118 PolarHBondContact O-N 3.22Å; S116-T118 VanDerWaalsContact O-N 3.17Å |
| 117 | H | 68 | Low | 79.8 | Confident | 11 Ų | 11 | 33.7 Ų | 33.7 | 5% | 0.051 | 20% | 0.197 | C | C | . | . | trans | -90.6 | 78.6 | -174.8 | -174.2 | -162.3 | 0 | 0 | 0 | 110.2 | N110 L111 V112 E113 S114 D120 | N110-H117 PolarHBondContact OD1-CE1 2.88Å; N110-H117 PolarHBondContact OD1-NE2 2.69Å; L111-H117 PolarHBondContact O-CE1 3.01Å; L111-H117 PolarHBondContact O-ND1 3.08Å; V112-H117 HydrophobicContact CG1-CB 4.34Å; E113-H117 PolarHBondContact N-ND1 3.21Å; S114-H117 WeakPolarHBondContact O-CB 3.37Å; S114-H117 PolarHBondContact O-N 2.87Å; H117-D120 IonicContact CD2-OD2 3.5Å; H117-D120 PolarHBondContact CD2-OD2 3.13Å; H117-D120 IonicContact CE1-OD2 3.91Å; H117-D120 IonicContact NE2-OD2 3.41Å; H117-D120 PolarHBondContact NE2-OD2 2.75Å | ||
| 118 | T | 68.9 | Low | 80.5 | Confident | 23 Ų | 23 | 32.2 Ų | 32.2 | 14% | 0.141 | 18% | 0.182 | C | C | . | . | trans | -110.7 | -23.5 | -171.1 | 51.7 | 0 | 0 | 0 | 0 | 114.6 | S116 I121 P140 A144 | S116-T118 PolarHBondContact O-N 3.22Å; S116-T118 VanDerWaalsContact O-N 3.17Å; T118-I121 WeakPolarHBondContact O-CB 3.48Å; T118-I121 PolarHBondContact O-N 3.46Å; T118-P140 HydrophobicContact CG2-CB 4.26Å; T118-A144 HydrophobicContact CG2-CB 3.94Å | ||
| 119 | M | 62.8 | Low | 80.9 | Confident | 57 Ų | 57 | 31.3 Ų | 31.3 | 28% | 0.281 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -67.7 | -45.2 | -169.7 | -59.3 | -178.2 | -170.5 | 0 | 0 | 113.4 | I121 S122 D945 F948 | M119-I121 PolarHBondContact O-N 2.96Å; M119-S122 PolarHBondContact O-OG 3.08Å; M119-D945 WeakPolarHBondContact CE-O 3.49Å; M119-F948 WeakPolarHBondContact CE-O 3.49Å |
| 120 | D | 71.1 | Confident | 81 | Confident | 48 Ų | 48 | 31.3 Ų | 31.3 | 26% | 0.257 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -76.2 | -7.4 | -176.3 | -52.2 | -63.7 | 0 | 0 | 0 | 113.3 | N110 H117 S122 S123 S124 | N110-D120 HydrophobicContact CB-CB 4.36Å; H117-D120 IonicContact CD2-OD2 3.5Å; H117-D120 PolarHBondContact CD2-OD2 3.13Å; H117-D120 IonicContact CE1-OD2 3.91Å; H117-D120 IonicContact NE2-OD2 3.41Å; H117-D120 PolarHBondContact NE2-OD2 2.75Å; D120-S122 VanDerWaalsContact C-N 3.29Å; D120-S122 PolarHBondContact O-N 3.16Å; D120-S123 PolarHBondContact O-OG 2.67Å; D120-S124 PolarHBondContact O-N 3.35Å; D120-S124 PolarHBondContact O-OG 3.07Å |
| 121 | I | 78.4 | Confident | 81 | Confident | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -65.9 | -33.6 | -179.6 | -60.7 | -177.3 | 0 | 0 | 0 | 111 | N110 V112 T118 M119 L141 A144 L145 Q148 F150 | N110-I121 PolarHBondContact ND2-N 3.17Å; V112-I121 HydrophobicContact CG2-CD1 4.2Å; V112-I121 HydrophobicContact CG2-CG1 4.35Å; T118-I121 WeakPolarHBondContact O-CB 3.48Å; T118-I121 PolarHBondContact O-N 3.46Å; M119-I121 PolarHBondContact O-N 2.96Å; I121-L141 HydrophobicContact CD1-CD1 3.63Å; I121-A144 HydrophobicContact CD1-CB 4.13Å; I121-L145 HydrophobicContact CD1-CD2 4.28Å; I121-L145 HydrophobicContact CG2-CD2 4.34Å; I121-Q148 HydrophobicContact CG2-CB 4.15Å; I121-Q148 HydrophobicContact CG2-CG 4.3Å; I121-Q148 WeakPolarHBondContact O-CG 3.38Å; I121-Q148 PolarHBondContact O-NE2 3.12Å; I121-Q148 VanDerWaalsContact O-NE2 3.12Å; I121-F150 HydrophobicContact CG2-CE2 4.34Å; I121-F150 HydrophobicContact CG2-CZ 3.89Å |
| 122 | S | 75.8 | Confident | 80.8 | Confident | 84 Ų | 84 | 34.1 Ų | 34.1 | 59% | 0.587 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81 | -24.3 | -178.1 | 41.1 | 0 | 0 | 0 | 0 | 114.9 | M119 D120 Q148 | M119-S122 PolarHBondContact O-OG 3.08Å; D120-S122 VanDerWaalsContact C-N 3.29Å; D120-S122 PolarHBondContact O-N 3.16Å; S122-Q148 PolarHBondContact O-NE2 3.47Å |
| 123 | S | 78 | Confident | 80.9 | Confident | 91 Ų | 91 | 35.5 Ų | 35.5 | 64% | 0.636 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | -20.8 | -175.1 | 46.2 | 0 | 0 | 0 | 0 | 114.4 | D120 | D120-S123 PolarHBondContact O-OG 2.67Š|
| 124 | S | 84.4 | Confident | 81.4 | Confident | 6 Ų | 6 | 31.2 Ų | 31.2 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | trans | -90.7 | 143 | -177.2 | -70.8 | 0 | 0 | 0 | 0 | 113.8 | G107 D108 N110 D120 | G107-S124 PolarHBondContact O-OG 3.03Å; D108-S124 WeakPolarHBondContact O-CB 3.42Å; N110-S124 WeakPolarHBondContact CB-OG 3.25Å; D120-S124 PolarHBondContact O-N 3.35Å; D120-S124 PolarHBondContact O-OG 3.07Å | ||
| 125 | K | 90.4 | Very high | 81.9 | Confident | 92 Ų | 92 | 31.2 Ų | 31.2 | 40% | 0.4 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -70 | -33.2 | 176.7 | -58.9 | -179.2 | -170.6 | 146.1 | 0 | 112.1 | W79 L81 D108 | W79-K125 HydrophobicContact CE3-CB 4.2Å; L81-K125 PolarHBondContact N-O 3.01Å; D108-K125 HydrophobicContact CB-CB 4.27Å; D108-K125 HydrophobicContact CB-CD 4.07Å; D108-K125 HydrophobicContact CB-CG 4.27Å; D108-K125 PolarHBondContact O-N 2.94Å; D108-K125 VanDerWaalsContact OD1-CD 3.31Å; D108-K125 WeakPolarHBondContact OD1-CD 3.37Å; D108-K125 WeakPolarHBondContact OD1-CE 3.25Å; D108-K125 IonicContact OD1-NZ 2.76Å; D108-K125 PolarHBondContact OD1-NZ 3.27Å; D108-K125 IonicContact OD2-NZ 2.7Å; D108-K125 PolarHBondContact OD2-NZ 2.94Å |
| 126 | V | 94.6 | Very high | 82.1 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 128.8 | 179 | -170.9 | 0 | 0 | 0 | 0 | 110.2 | W79 L81 V83 L97 L104 D108 V109 N110 V128 | W79-V126 HydrophobicContact CE3-CG2 3.9Å; W79-V126 HydrophobicContact CH2-CG2 3.98Å; W79-V126 HydrophobicContact CZ3-CG2 3.3Å; L81-V126 HydrophobicContact CB-CG2 4.44Å; L81-V126 HydrophobicContact CD2-CG1 3.98Å; L81-V126 HydrophobicContact CD2-CG2 4.17Å; L81-V126 HydrophobicContact CG-CG1 4.18Å; L81-V126 WeakPolarHBondContact O-CA 3.49Å; V83-V126 HydrophobicContact CG2-CG1 4.21Å; L97-V126 HydrophobicContact CD1-CG1 4.09Å; L104-V126 HydrophobicContact CD1-CG2 4.49Å; L104-V126 HydrophobicContact CD2-CG2 4.31Å; D108-V126 PolarHBondContact O-N 3.44Å; V109-V126 HydrophobicContact CG2-CB 4.41Å; N110-V126 PolarHBondContact N-O 3.34Å; V126-V128 HydrophobicContact CG1-CG2 4.36Å |
| 127 | T | 95.3 | Very high | 82.9 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 124.4 | 170.8 | -63.7 | 0 | 0 | 0 | 0 | 110.1 | L81 L82 V83 N110 V112 F150 | L81-T127 PolarHBondContact O-N 3.27Å; L82-T127 WeakPolarHBondContact CA-O 3.38Å; L82-T127 HydrophobicContact CD1-CG2 4Å; V83-T127 PolarHBondContact N-O 3.41Å; N110-T127 CarbonylContact O-C 3.34Å; N110-T127 WeakPolarHBondContact O-CA 3.48Å; V112-T127 HydrophobicContact CG2-CG2 3.63Å; T127-F150 HydrophobicContact CG2-CZ 4.28Å |
| 128 | V | 94.5 | Very high | 83.4 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 126.9 | 175.6 | -177.8 | 0 | 0 | 0 | 0 | 109.7 | V83 V85 I94 L97 V109 N110 L111 V112 V126 | V83-V128 HydrophobicContact CB-CG2 4.43Å; V83-V128 WeakPolarHBondContact O-CA 3.39Å; V85-V128 HydrophobicContact CG2-CG1 4.24Å; I94-V128 HydrophobicContact CG1-CB 4.44Å; I94-V128 HydrophobicContact CG1-CG2 3.91Å; L97-V128 HydrophobicContact CD1-CG2 4.45Å; V109-V128 HydrophobicContact CG1-CG2 4.39Å; N110-V128 PolarHBondContact O-N 2.8Å; L111-V128 HydrophobicContact CD1-CB 4.07Å; L111-V128 HydrophobicContact CD1-CG1 3.98Å; V112-V128 PolarHBondContact N-O 2.9Å; V126-V128 HydrophobicContact CG1-CG2 4.36Å |
| 129 | L | 93.8 | Very high | 83.9 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 128.3 | -169.2 | 178.3 | 61.7 | 0 | 0 | 0 | 112.4 | L82 V83 V84 V85 V112 L133 L134 L141 L145 | L82-L129 HydrophobicContact CD1-CB 4.11Å; L82-L129 HydrophobicContact CD1-CD2 4.32Å; V83-L129 PolarHBondContact O-N 3.23Å; V84-L129 WeakPolarHBondContact CA-O 3.39Å; V84-L129 HydrophobicContact CG2-CB 4.43Å; V84-L129 HydrophobicContact CG2-CD2 4.37Å; V85-L129 PolarHBondContact N-O 2.59Å; V112-L129 HydrophobicContact CB-CD1 3.84Å; V112-L129 HydrophobicContact CG1-CD1 3.96Å; V112-L129 HydrophobicContact CG2-CD1 4.25Å; L129-L133 HydrophobicContact CD1-CB 4.25Å; L129-L133 HydrophobicContact CD1-CD1 4.1Å; L129-L134 HydrophobicContact CD2-CD2 3.92Å; L129-L134 HydrophobicContact CD2-CG 4.37Å; L129-L141 HydrophobicContact CD1-CD2 4.15Å; L129-L145 HydrophobicContact CD2-CD1 3.6Å; L129-L145 HydrophobicContact CD2-CD2 4.24Å |
| 130 | G | 91.7 | Very high | 84.7 | Confident | 2 Ų | 2 | 40 Ų | 40 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 133.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V85 G132 L133 | V85-G130 WeakPolarHBondContact O-CA 3.46Å; G130-G132 PolarHBondContact O-N 3.26Å; G130-L133 PolarHBondContact O-N 3.29Å |
| 131 | Y | 90.1 | Very high | 85.4 | Confident | 10 Ų | 10 | 37.7 Ų | 37.7 | 4% | 0.039 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -50.1 | -30.4 | 176.4 | -78.4 | -64.2 | 0 | 0 | 0 | 114.7 | V84 V85 P86 L133 L134 V155 D156 E157 Y160 L172 | V84-Y131 HydrophobicContact CG1-CD1 3.84Å; V84-Y131 HydrophobicContact CG1-CE1 3.77Å; V84-Y131 HydrophobicContact CG1-CG 4.33Å; V85-Y131 VanDerWaalsContact C-CD2 3.46Å; V85-Y131 WeakPolarHBondContact O-CD2 3.17Å; V85-Y131 PolarHBondContact O-N 3.49Å; P86-Y131 HydrophobicContact CG-CD2 4.35Å; P86-Y131 HydrophobicContact CG-CE2 4.29Å; Y131-L133 PolarHBondContact O-N 3.24Å; Y131-L134 HydrophobicContact CD1-CD1 4.27Å; Y131-L134 PolarHBondContact O-N 2.69Å; Y131-V155 HydrophobicContact CE1-CG1 4.45Å; Y131-V155 WeakPolarHBondContact OH-CG1 3.1Å; Y131-D156 VanDerWaalsContact CE2-O 3.23Å; Y131-D156 WeakPolarHBondContact CE2-O 3.25Å; Y131-D156 PolarHBondContact OH-O 2.86Å; Y131-E157 PolarHBondContact OH-O 3.2Å; Y131-Y160 HydrophobicContact CD1-CD1 4.36Å; Y131-Y160 AromaticContact CD2-CD1 3.7Å; Y131-Y160 HydrophobicContact CD2-CD1 3.7Å; Y131-Y160 HydrophobicContact CD2-CD2 4.45Å; Y131-Y160 HydrophobicContact CD2-CE1 4.19Å; Y131-Y160 AromaticContact CD2-CG 3.88Å; Y131-Y160 HydrophobicContact CD2-CG 3.88Å; Y131-Y160 HydrophobicContact CE1-CG 4.46Å; Y131-Y160 HydrophobicContact CE2-CD1 4.09Å; Y131-Y160 HydrophobicContact CE2-CD2 4.15Å; Y131-Y160 AromaticContact CE2-CG 3.76Å; Y131-Y160 HydrophobicContact CE2-CG 3.76Å; Y131-Y160 AromaticContact CG-CD1 3.86Å; Y131-Y160 HydrophobicContact CG-CD1 3.86Å; Y131-Y160 HydrophobicContact CG-CG 4.3Å; Y131-L172 HydrophobicContact CE1-CD2 4.14Å |
| 132 | G | 85.7 | Confident | 85.7 | Confident | 50 Ų | 50 | 39.3 Ų | 39.3 | 52% | 0.515 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -65.1 | -16.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | G130 | G130-G132 PolarHBondContact O-N 3.26Š|
| 133 | L | 86.6 | Confident | 86.1 | Confident | 29 Ų | 29 | 40.6 Ų | 40.6 | 15% | 0.152 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -87.4 | -14.4 | 176.8 | -58.4 | -178.3 | 0 | 0 | 0 | 113 | V112 K115 L129 G130 Y131 T135 A138 L141 | V112-L133 HydrophobicContact CB-CD1 4.34Å; V112-L133 HydrophobicContact CG1-CD1 3.75Å; V112-L133 WeakPolarHBondContact O-CD1 3.31Å; K115-L133 HydrophobicContact CG-CD2 4.21Å; L129-L133 HydrophobicContact CD1-CB 4.25Å; L129-L133 HydrophobicContact CD1-CD1 4.1Å; G130-L133 PolarHBondContact O-N 3.29Å; Y131-L133 PolarHBondContact O-N 3.24Å; L133-T135 VanDerWaalsContact C-N 3.29Å; L133-T135 PolarHBondContact O-N 3.18Å; L133-A138 VanDerWaalsContact O-CB 3.27Å; L133-A138 WeakPolarHBondContact O-CB 3.2Å; L133-L141 HydrophobicContact CB-CD2 3.89Å |
| 134 | L | 87.9 | Confident | 86.5 | Confident | 3 Ų | 3 | 37.2 Ų | 37.2 | 2% | 0.016 | 21% | 0.207 | C | C | . | . | trans | -83 | 66 | -176.7 | -64.8 | 175.4 | 0 | 0 | 0 | 112.2 | V84 L129 Y131 L145 R168 I171 L172 | V84-L134 HydrophobicContact CG1-CD1 4.15Å; L129-L134 HydrophobicContact CD2-CD2 3.92Å; L129-L134 HydrophobicContact CD2-CG 4.37Å; Y131-L134 HydrophobicContact CD1-CD1 4.27Å; Y131-L134 PolarHBondContact O-N 2.69Å; L134-L145 HydrophobicContact CD2-CD1 4.49Å; L134-R168 HydrophobicContact CB-CB 3.86Å; L134-R168 WeakPolarHBondContact O-CA 3.44Å; L134-R168 PolarHBondContact O-N 2.81Å; L134-I171 HydrophobicContact CD2-CG2 3.83Å; L134-L172 HydrophobicContact CD1-CB 4.32Å; L134-L172 HydrophobicContact CD1-CD2 4.31Å | ||
| 135 | T | 86.3 | Confident | 86.7 | Confident | 43 Ų | 43 | 37 Ų | 37 | 26% | 0.264 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -119.1 | 159.8 | -179.2 | 58.6 | 0 | 0 | 0 | 0 | 112.2 | K115 L133 D137 A138 | K115-T135 WeakPolarHBondContact CE-OG1 3.38Å; K115-T135 PolarHBondContact NZ-OG1 3.11Å; L133-T135 VanDerWaalsContact C-N 3.29Å; L133-T135 PolarHBondContact O-N 3.18Å; T135-D137 VanDerWaalsContact CB-OD1 3.24Å; T135-D137 WeakPolarHBondContact CB-OD1 3.48Å; T135-D137 PolarHBondContact O-N 2.77Å; T135-D137 VanDerWaalsContact O-N 3.08Å; T135-D137 PolarHBondContact OG1-OD1 3.39Å; T135-A138 WeakPolarHBondContact O-CB 3.27Å; T135-A138 PolarHBondContact O-N 3.29Å |
| 136 | T | 77.6 | Confident | 86.6 | Confident | 115 Ų | 115 | 35.4 Ų | 35.4 | 71% | 0.706 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -22.1 | -169.9 | -38.5 | 0 | 0 | 0 | 0 | 114.9 | A167 | T136-A167 WeakPolarHBondContact OG1-CB 3.29Š|
| 137 | D | 78.8 | Confident | 86.3 | Confident | 96 Ų | 96 | 43.7 Ų | 43.7 | 51% | 0.513 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -15.6 | 176.8 | 63.5 | -51.2 | 0 | 0 | 0 | 113.6 | K115 T135 R139 | K115-D137 VanDerWaalsContact NZ-CG 3.27Å; K115-D137 IonicContact NZ-OD1 3.6Å; K115-D137 PolarHBondContact NZ-OD1 3.09Å; K115-D137 IonicContact NZ-OD2 3.44Å; K115-D137 PolarHBondContact NZ-OD2 3.46Å; T135-D137 VanDerWaalsContact CB-OD1 3.24Å; T135-D137 WeakPolarHBondContact CB-OD1 3.48Å; T135-D137 PolarHBondContact O-N 2.77Å; T135-D137 VanDerWaalsContact O-N 3.08Å; T135-D137 PolarHBondContact OG1-OD1 3.39Å; D137-R139 PolarHBondContact O-N 3.02Å |
| 138 | A | 78.6 | Confident | 86 | Confident | 2 Ų | 2 | 45.7 Ų | 45.7 | 2% | 0.017 | 25% | 0.246 | C | C | . | . | trans | -79.7 | 37.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | K115 L133 T135 L141 V142 | K115-A138 HydrophobicContact CB-CB 4.3Å; K115-A138 HydrophobicContact CD-CB 3.95Å; K115-A138 HydrophobicContact CG-CB 3.89Å; L133-A138 VanDerWaalsContact O-CB 3.27Å; L133-A138 WeakPolarHBondContact O-CB 3.2Å; T135-A138 WeakPolarHBondContact O-CB 3.27Å; T135-A138 PolarHBondContact O-N 3.29Å; A138-L141 HydrophobicContact CB-CB 4.46Å; A138-L141 WeakPolarHBondContact O-CB 3.13Å; A138-L141 PolarHBondContact O-N 3.42Å; A138-L141 VanDerWaalsContact O-N 3.15Å; A138-V142 PolarHBondContact O-N 2.79Å; A138-V142 VanDerWaalsContact O-N 3.1Å | ||
| 139 | R | 79.6 | Confident | 85.7 | Confident | 119 Ų | 119 | 55.8 Ų | 55.8 | 45% | 0.449 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -55.2 | -45.6 | -172.9 | -60.3 | -173.8 | -170.3 | 161.7 | 5.2 | 114.5 | D137 L141 V142 E143 F873 | D137-R139 PolarHBondContact O-N 3.02Å; R139-L141 PolarHBondContact O-N 3Å; R139-V142 PolarHBondContact O-N 3.39Å; R139-E143 WeakPolarHBondContact O-CG 3.38Å; R139-E143 PolarHBondContact O-N 3.32Å; R139-F873 VanDerWaalsContact NH1-CD1 3.28Å |
| 140 | P | 79.8 | Confident | 85.8 | Confident | 48 Ų | 48 | 56.3 Ų | 56.3 | 31% | 0.312 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.9 | -35.7 | 179.6 | -24.3 | 35.5 | 0 | 0 | 0 | 112.9 | T118 A144 | T118-P140 HydrophobicContact CG2-CB 4.26Å; P140-A144 VanDerWaalsContact O-CB 3.31Å; P140-A144 WeakPolarHBondContact O-CB 3.32Å; P140-A144 PolarHBondContact O-N 3.04Å |
| 141 | L | 85.2 | Confident | 85.9 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.8 | -44 | 174.1 | 176.5 | 60.5 | 0 | 0 | 0 | 111.7 | V112 I121 L129 L133 A138 R139 E143 A144 L145 | V112-L141 HydrophobicContact CG1-CD1 3.86Å; V112-L141 HydrophobicContact CG1-CD2 4.28Å; I121-L141 HydrophobicContact CD1-CD1 3.63Å; L129-L141 HydrophobicContact CD1-CD2 4.15Å; L133-L141 HydrophobicContact CB-CD2 3.89Å; A138-L141 HydrophobicContact CB-CB 4.46Å; A138-L141 WeakPolarHBondContact O-CB 3.13Å; A138-L141 PolarHBondContact O-N 3.42Å; A138-L141 VanDerWaalsContact O-N 3.15Å; R139-L141 PolarHBondContact O-N 3Å; L141-E143 VanDerWaalsContact C-N 3.33Å; L141-E143 PolarHBondContact O-N 3.42Å; L141-A144 PolarHBondContact O-N 2.84Å; L141-L145 HydrophobicContact CD1-CD1 3.93Å; L141-L145 HydrophobicContact CD1-CG 4.01Å; L141-L145 HydrophobicContact CG-CD1 3.92Å; L141-L145 HydrophobicContact CG-CG 4.44Å; L141-L145 WeakPolarHBondContact O-CB 3.42Å; L141-L145 WeakPolarHBondContact O-CG 3.34Å; L141-L145 PolarHBondContact O-N 2.85Å |
| 142 | V | 85.4 | Confident | 86.3 | Confident | 36 Ų | 36 | 56.7 Ų | 56.7 | 22% | 0.218 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.1 | -40.6 | 176.7 | 179.4 | 0 | 0 | 0 | 0 | 111.4 | A138 R139 S146 I171 | A138-V142 PolarHBondContact O-N 2.79Å; A138-V142 VanDerWaalsContact O-N 3.1Å; R139-V142 PolarHBondContact O-N 3.39Å; V142-S146 VanDerWaalsContact O-CB 3.29Å; V142-S146 WeakPolarHBondContact O-CB 3.35Å; V142-S146 PolarHBondContact O-N 3.32Å; V142-S146 PolarHBondContact O-OG 3.13Å; V142-I171 HydrophobicContact CB-CG2 4.47Å; V142-I171 HydrophobicContact CG1-CG2 4.08Å; V142-I171 HydrophobicContact CG2-CD1 4.06Å; V142-I171 HydrophobicContact CG2-CG1 4.18Å; V142-I171 HydrophobicContact CG2-CG2 3.61Å |
| 143 | E | 84.6 | Confident | 86.9 | Confident | 111 Ų | 111 | 54.4 Ų | 54.4 | 52% | 0.519 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.9 | -42.3 | 176.6 | -71.7 | 170.5 | -141.5 | 0 | 0 | 112.2 | R139 L141 S146 R147 | R139-E143 WeakPolarHBondContact O-CG 3.38Å; R139-E143 PolarHBondContact O-N 3.32Å; L141-E143 VanDerWaalsContact C-N 3.33Å; L141-E143 PolarHBondContact O-N 3.42Å; E143-S146 PolarHBondContact O-N 3.47Å; E143-R147 VanDerWaalsContact O-CB 3.3Å; E143-R147 WeakPolarHBondContact O-CB 3.49Å; E143-R147 PolarHBondContact O-N 3.46Å |
| 144 | A | 86.3 | Confident | 87.4 | Confident | 20 Ų | 20 | 53.1 Ų | 53.1 | 17% | 0.165 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.1 | -47 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T118 I121 P140 L141 S146 R147 Q148 | T118-A144 HydrophobicContact CG2-CB 3.94Å; I121-A144 HydrophobicContact CD1-CB 4.13Å; P140-A144 VanDerWaalsContact O-CB 3.31Å; P140-A144 WeakPolarHBondContact O-CB 3.32Å; P140-A144 PolarHBondContact O-N 3.04Å; L141-A144 PolarHBondContact O-N 2.84Å; A144-S146 VanDerWaalsContact C-N 3.31Å; A144-S146 PolarHBondContact O-N 2.81Å; A144-R147 PolarHBondContact O-N 2.91Å; A144-Q148 PolarHBondContact O-N 3.46Å; A144-Q148 VanDerWaalsContact O-N 3.08Å |
| 145 | L | 88.7 | Confident | 87.9 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.4 | -39.3 | 176.6 | -68.7 | 167.7 | 0 | 0 | 0 | 112 | L82 I121 L129 L134 L141 F150 L175 | L82-L145 HydrophobicContact CD1-CD2 4.1Å; I121-L145 HydrophobicContact CD1-CD2 4.28Å; I121-L145 HydrophobicContact CG2-CD2 4.34Å; L129-L145 HydrophobicContact CD2-CD1 3.6Å; L129-L145 HydrophobicContact CD2-CD2 4.24Å; L134-L145 HydrophobicContact CD2-CD1 4.49Å; L141-L145 HydrophobicContact CD1-CD1 3.93Å; L141-L145 HydrophobicContact CD1-CG 4.01Å; L141-L145 HydrophobicContact CG-CD1 3.92Å; L141-L145 HydrophobicContact CG-CG 4.44Å; L141-L145 WeakPolarHBondContact O-CB 3.42Å; L141-L145 WeakPolarHBondContact O-CG 3.34Å; L141-L145 PolarHBondContact O-N 2.85Å; L145-F150 HydrophobicContact CB-CE2 4.43Å; L145-F150 HydrophobicContact CD2-CE2 3.69Å; L145-F150 HydrophobicContact CD2-CZ 4.19Å; L145-L175 HydrophobicContact CB-CD1 4.22Å; L145-L175 HydrophobicContact CD1-CD1 4.48Å |
| 146 | S | 87.9 | Confident | 88.3 | Confident | 59 Ų | 59 | 51.4 Ų | 51.4 | 41% | 0.413 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -70.3 | -34.6 | 177.4 | -56.3 | 0 | 0 | 0 | 0 | 112.3 | V142 E143 A144 | V142-S146 VanDerWaalsContact O-CB 3.29Å; V142-S146 WeakPolarHBondContact O-CB 3.35Å; V142-S146 PolarHBondContact O-N 3.32Å; V142-S146 PolarHBondContact O-OG 3.13Å; E143-S146 PolarHBondContact O-N 3.47Å; A144-S146 VanDerWaalsContact C-N 3.31Å; A144-S146 PolarHBondContact O-N 2.81Å |
| 147 | R | 88.3 | Confident | 89 | Confident | 174 Ų | 174 | 46.6 Ų | 46.6 | 66% | 0.657 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -69.4 | -36.4 | 177.8 | -171.5 | 177.5 | -62.1 | -179.7 | 2.8 | 112.4 | E143 A144 R149 | E143-R147 VanDerWaalsContact O-CB 3.3Å; E143-R147 WeakPolarHBondContact O-CB 3.49Å; E143-R147 PolarHBondContact O-N 3.46Å; A144-R147 PolarHBondContact O-N 2.91Å; R147-R149 VanDerWaalsContact C-N 3.26Å; R147-R149 PolarHBondContact O-N 2.82Å |
| 148 | Q | 88.1 | Confident | 89.8 | Confident | 43 Ų | 43 | 42 Ų | 42 | 20% | 0.201 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -71.9 | -16.1 | -178.2 | -174.8 | 60.7 | -10.5 | 0 | 0 | 114.2 | P80 I121 S122 A144 F150 | P80-Q148 HydrophobicContact CB-CG 4.45Å; P80-Q148 HydrophobicContact CG-CG 4.15Å; I121-Q148 HydrophobicContact CG2-CB 4.15Å; I121-Q148 HydrophobicContact CG2-CG 4.3Å; I121-Q148 WeakPolarHBondContact O-CG 3.38Å; I121-Q148 PolarHBondContact O-NE2 3.12Å; I121-Q148 VanDerWaalsContact O-NE2 3.12Å; S122-Q148 PolarHBondContact O-NE2 3.47Å; A144-Q148 PolarHBondContact O-N 3.46Å; A144-Q148 VanDerWaalsContact O-N 3.08Å; Q148-F150 HydrophobicContact CB-CD2 4.38Å; Q148-F150 HydrophobicContact CB-CE2 3.91Å; Q148-F150 HydrophobicContact CB-CZ 4.08Å; Q148-F150 HydrophobicContact CG-CD1 4.34Å; Q148-F150 HydrophobicContact CG-CD2 4.46Å; Q148-F150 HydrophobicContact CG-CE1 3.87Å; Q148-F150 HydrophobicContact CG-CE2 3.99Å; Q148-F150 HydrophobicContact CG-CZ 3.68Å; Q148-F150 PolarHBondContact O-N 2.61Å |
| 149 | R | 89.3 | Confident | 90.4 | Very high | 212 Ų | 212 | 42.2 Ų | 42.2 | 80% | 0.8 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 52.9 | 173.9 | -67 | -179.5 | 168.8 | -174 | -2.9 | 113.9 | R147 A151 | R147-R149 VanDerWaalsContact C-N 3.26Å; R147-R149 PolarHBondContact O-N 2.82Å; R149-A151 PolarHBondContact O-N 3.49Å; R149-A151 VanDerWaalsContact O-N 3.1Å |
| 150 | F | 94.5 | Very high | 90.9 | Very high | 10 Ų | 10 | 39.1 Ų | 39.1 | 4% | 0.044 | 19% | 0.185 | C | C | . | . | trans | -48.8 | 116.4 | 176.2 | -64.2 | -79.8 | 0 | 0 | 0 | 112.3 | P80 L82 I121 T127 L145 Q148 V153 A179 | P80-F150 HydrophobicContact CB-CD1 3.83Å; P80-F150 HydrophobicContact CB-CE1 4.08Å; P80-F150 HydrophobicContact CG-CD1 4.24Å; L82-F150 HydrophobicContact CB-CB 4.01Å; L82-F150 HydrophobicContact CB-CD1 3.6Å; L82-F150 HydrophobicContact CB-CD2 3.93Å; L82-F150 HydrophobicContact CB-CE1 3.95Å; L82-F150 HydrophobicContact CB-CE2 4.25Å; L82-F150 HydrophobicContact CB-CG 3.57Å; L82-F150 HydrophobicContact CB-CZ 4.26Å; L82-F150 HydrophobicContact CD1-CE2 4.34Å; L82-F150 HydrophobicContact CD1-CZ 4.29Å; L82-F150 HydrophobicContact CD2-CD2 4.03Å; L82-F150 HydrophobicContact CD2-CE2 4.3Å; L82-F150 HydrophobicContact CD2-CG 4.45Å; L82-F150 HydrophobicContact CG-CD2 4.45Å; I121-F150 HydrophobicContact CG2-CE2 4.34Å; I121-F150 HydrophobicContact CG2-CZ 3.89Å; T127-F150 HydrophobicContact CG2-CZ 4.28Å; L145-F150 HydrophobicContact CB-CE2 4.43Å; L145-F150 HydrophobicContact CD2-CE2 3.69Å; L145-F150 HydrophobicContact CD2-CZ 4.19Å; Q148-F150 HydrophobicContact CB-CD2 4.38Å; Q148-F150 HydrophobicContact CB-CE2 3.91Å; Q148-F150 HydrophobicContact CB-CZ 4.08Å; Q148-F150 HydrophobicContact CG-CD1 4.34Å; Q148-F150 HydrophobicContact CG-CD2 4.46Å; Q148-F150 HydrophobicContact CG-CE1 3.87Å; Q148-F150 HydrophobicContact CG-CE2 3.99Å; Q148-F150 HydrophobicContact CG-CZ 3.68Å; Q148-F150 PolarHBondContact O-N 2.61Å; F150-V153 HydrophobicContact CB-CG2 4.05Å; F150-A179 WeakPolarHBondContact O-CA 3.39Å; F150-A179 VanDerWaalsContact O-CB 3.26Å; F150-A179 WeakPolarHBondContact O-CB 3.23Å | ||
| 151 | A | 95.5 | Very high | 91.6 | Very high | 21 Ų | 21 | 36.8 Ų | 36.8 | 17% | 0.174 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -80.4 | -27.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | E78 P80 R149 K180 R181 | E78-A151 HydrophobicContact CB-CB 4.47Å; E78-A151 WeakPolarHBondContact O-CB 3.34Å; P80-A151 PolarHBondContact O-N 3.05Å; R149-A151 PolarHBondContact O-N 3.49Å; R149-A151 VanDerWaalsContact O-N 3.1Å; A151-K180 HydrophobicContact CB-CB 4.38Å; A151-K180 CarbonylContact O-C 3.48Å; A151-K180 WeakPolarHBondContact O-CA 3.37Å; A151-K180 WeakPolarHBondContact O-CB 3.28Å; A151-K180 PolarHBondContact O-N 3.18Å; A151-R181 PolarHBondContact O-N 2.86Å |
| 152 | V | 97.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 124.3 | 176.2 | -172 | 0 | 0 | 0 | 0 | 109.2 | A72 E78 P80 L81 L82 R181 | A72-V152 HydrophobicContact CB-CG1 4.49Å; E78-V152 HydrophobicContact CB-CG2 4.43Å; P80-V152 PolarHBondContact O-N 2.86Å; L81-V152 WeakPolarHBondContact CA-O 3.17Å; L81-V152 HydrophobicContact CD1-CB 3.95Å; L81-V152 HydrophobicContact CD1-CG1 3.62Å; L82-V152 PolarHBondContact N-O 3.5Å; V152-R181 HydrophobicContact CB-CB 4.38Å; V152-R181 HydrophobicContact CG1-CB 4.12Å; V152-R181 HydrophobicContact CG2-CB 4.18Å; V152-R181 HydrophobicContact CG2-CG 3.97Å |
| 153 | V | 97.9 | Very high | 92.1 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.012 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 124.2 | 177 | -178.9 | 0 | 0 | 0 | 0 | 110.2 | L82 F150 V155 I176 A179 R181 A182 I183 | L82-V153 HydrophobicContact CB-CG2 4.28Å; L82-V153 HydrophobicContact CD2-CG1 4.37Å; L82-V153 HydrophobicContact CD2-CG2 4.48Å; L82-V153 CarbonylContact O-C 3.04Å; L82-V153 WeakPolarHBondContact O-CA 3.47Å; F150-V153 HydrophobicContact CB-CG2 4.05Å; V153-V155 HydrophobicContact CG1-CG2 3.8Å; V153-I176 HydrophobicContact CG1-CG1 4.2Å; V153-A179 HydrophobicContact CB-CB 4.2Å; V153-A179 HydrophobicContact CG2-CB 3.47Å; V153-A179 VanDerWaalsContact CG2-CB 3.47Å; V153-R181 PolarHBondContact N-O 3.5Å; V153-A182 WeakPolarHBondContact O-CA 3.31Å; V153-I183 PolarHBondContact O-N 3.4Å |
| 154 | V | 98.3 | Very high | 92.3 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 134 | 170.5 | 178.4 | 0 | 0 | 0 | 0 | 108.5 | A68 L81 L82 V83 V84 W93 I183 L185 | A68-V154 HydrophobicContact CB-CG1 4.3Å; L81-V154 HydrophobicContact CD1-CG2 4Å; L82-V154 PolarHBondContact O-N 2.84Å; V83-V154 WeakPolarHBondContact CA-O 3.17Å; V83-V154 HydrophobicContact CG1-CB 4.26Å; V83-V154 HydrophobicContact CG1-CG1 4.26Å; V83-V154 HydrophobicContact CG2-CB 4.44Å; V84-V154 PolarHBondContact N-O 2.83Å; W93-V154 HydrophobicContact CH2-CG1 3.74Å; W93-V154 HydrophobicContact CZ2-CG1 4.44Å; W93-V154 HydrophobicContact CZ3-CG1 4.21Å; V154-I183 WeakPolarHBondContact CA-O 3.4Å; V154-I183 HydrophobicContact CG2-CB 4.28Å; V154-I183 HydrophobicContact CG2-CD1 3.97Å; V154-L185 HydrophobicContact CG1-CD1 3.88Å; V154-L185 HydrophobicContact CG1-CG 4.44Å |
| 155 | V | 97.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 102.3 | -179.1 | -176.3 | 0 | 0 | 0 | 0 | 109.1 | Y131 V153 L161 L172 I176 I183 L184 L185 | Y131-V155 HydrophobicContact CE1-CG1 4.45Å; Y131-V155 WeakPolarHBondContact OH-CG1 3.1Å; V153-V155 HydrophobicContact CG1-CG2 3.8Å; V155-L161 HydrophobicContact CG1-CD1 4.42Å; V155-L172 HydrophobicContact CG1-CD2 4.06Å; V155-L172 HydrophobicContact CG2-CD2 4.23Å; V155-I176 HydrophobicContact CG2-CD1 3.99Å; V155-I176 HydrophobicContact CG2-CG1 4.09Å; V155-I183 PolarHBondContact N-O 2.94Å; V155-L184 HydrophobicContact CB-CD2 3.66Å; V155-L184 HydrophobicContact CG1-CD2 4.26Å; V155-L184 HydrophobicContact CG2-CD2 3.87Å; V155-L185 PolarHBondContact O-N 3.35Å |
| 156 | D | 95.9 | Very high | 92.7 | Very high | 9 Ų | 9 | 46.1 Ų | 46.1 | 5% | 0.048 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | 148.1 | 178.2 | -163.7 | 18.9 | 0 | 0 | 0 | 111.9 | V84 V85 W93 Y131 S158 L185 | V84-D156 PolarHBondContact O-N 2.9Å; V85-D156 HydrophobicContact CG1-CB 4.07Å; W93-D156 HydrophobicContact CZ2-CB 3.87Å; W93-D156 PolarHBondContact NE1-OD2 2.35Å; Y131-D156 VanDerWaalsContact CE2-O 3.23Å; Y131-D156 WeakPolarHBondContact CE2-O 3.25Å; Y131-D156 PolarHBondContact OH-O 2.86Å; D156-S158 VanDerWaalsContact C-N 3.31Å; D156-S158 PolarHBondContact O-N 3.46Å; D156-L185 HydrophobicContact CB-CD1 4.37Å |
| 157 | E | 92.1 | Very high | 92.8 | Very high | 14 Ų | 14 | 44.6 Ų | 44.6 | 7% | 0.065 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 41.3 | 54.5 | -165 | -68 | -62.1 | 179.6 | 0 | 0 | 113.5 | P86 Y131 H159 Y160 L185 | P86-E157 HydrophobicContact CG-CB 3.94Å; P86-E157 HydrophobicContact CG-CG 4.16Å; Y131-E157 PolarHBondContact OH-O 3.2Å; E157-H159 PolarHBondContact O-N 2.73Å; E157-H159 IonicContact OE2-CE1 3.98Å; E157-H159 PolarHBondContact OE2-CE1 3.19Å; E157-H159 IonicContact OE2-ND1 2.65Å; E157-H159 PolarHBondContact OE2-ND1 2.84Å; E157-Y160 HydrophobicContact CB-CD2 4.26Å; E157-Y160 HydrophobicContact CB-CE2 4.47Å; E157-Y160 WeakPolarHBondContact O-CD2 3.14Å; E157-Y160 PolarHBondContact O-N 3.35Å; E157-L185 CarbonylContact C-O 3.58Å; E157-L185 VanDerWaalsContact CA-O 3.26Å; E157-L185 WeakPolarHBondContact CA-O 3.43Å; E157-L185 PolarHBondContact N-O 3.38Å |
| 158 | S | 94.6 | Very high | 93 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.191 | C | C | . | . | G | 310 helix | trans | -54 | -15.1 | -178.3 | 68.6 | 0 | 0 | 0 | 0 | 115 | D156 Y160 L161 L185 T186 Q200 | D156-S158 VanDerWaalsContact C-N 3.31Å; D156-S158 PolarHBondContact O-N 3.46Å; S158-Y160 PolarHBondContact O-N 2.95Å; S158-L161 WeakPolarHBondContact O-CB 3.25Å; S158-L161 PolarHBondContact O-N 2.74Å; S158-L185 PolarHBondContact N-O 3.26Å; S158-L185 PolarHBondContact OG-O 2.92Å; S158-T186 VanDerWaalsContact OG-CG2 3.29Å; S158-T186 WeakPolarHBondContact OG-CG2 3.44Å; S158-Q200 VanDerWaalsContact C-OE1 3.24Å; S158-Q200 PolarHBondContact O-OE1 3.24Å; S158-Q200 PolarHBondContact OG-OE1 2.57Å |
| 159 | H | 90.9 | Very high | 93.3 | Very high | 6 Ų | 6 | 38 Ų | 38 | 3% | 0.028 | 18% | 0.182 | C | C | . | . | G | 310 helix | trans | -55.8 | -18 | 169.6 | 76.8 | -106.2 | 0 | 0 | 0 | 112.8 | E157 L161 K162 T188 Q407 Q431 | E157-H159 PolarHBondContact O-N 2.73Å; E157-H159 IonicContact OE2-CE1 3.98Å; E157-H159 PolarHBondContact OE2-CE1 3.19Å; E157-H159 IonicContact OE2-ND1 2.65Å; E157-H159 PolarHBondContact OE2-ND1 2.84Å; H159-L161 PolarHBondContact O-N 3.49Å; H159-K162 VanDerWaalsContact O-CB 3.29Å; H159-K162 WeakPolarHBondContact O-CB 3.39Å; H159-K162 WeakPolarHBondContact O-CD 3.49Å; H159-K162 VanDerWaalsContact O-CG 3.29Å; H159-K162 WeakPolarHBondContact O-CG 3.35Å; H159-K162 PolarHBondContact O-N 3.25Å; H159-T188 WeakPolarHBondContact CB-O 3.49Å; H159-Q407 PolarHBondContact CE1-NE2 3.18Å; H159-Q407 PolarHBondContact NE2-NE2 3.08Å; H159-Q431 PolarHBondContact CE1-NE2 3.07Å |
| 160 | Y | 91.5 | Very high | 93.5 | Very high | 54 Ų | 54 | 34 Ų | 34 | 21% | 0.212 | 17% | 0.17 | C | C | . | . | G | 310 helix | trans | -60.2 | -25.8 | 169.4 | -88.1 | -115.5 | 0 | 0 | 0 | 113.4 | Y131 E157 S158 K162 R168 Q407 | Y131-Y160 HydrophobicContact CD1-CD1 4.36Å; Y131-Y160 AromaticContact CD2-CD1 3.7Å; Y131-Y160 HydrophobicContact CD2-CD1 3.7Å; Y131-Y160 HydrophobicContact CD2-CD2 4.45Å; Y131-Y160 HydrophobicContact CD2-CE1 4.19Å; Y131-Y160 AromaticContact CD2-CG 3.88Å; Y131-Y160 HydrophobicContact CD2-CG 3.88Å; Y131-Y160 HydrophobicContact CE1-CG 4.46Å; Y131-Y160 HydrophobicContact CE2-CD1 4.09Å; Y131-Y160 HydrophobicContact CE2-CD2 4.15Å; Y131-Y160 AromaticContact CE2-CG 3.76Å; Y131-Y160 HydrophobicContact CE2-CG 3.76Å; Y131-Y160 AromaticContact CG-CD1 3.86Å; Y131-Y160 HydrophobicContact CG-CD1 3.86Å; Y131-Y160 HydrophobicContact CG-CG 4.3Å; E157-Y160 HydrophobicContact CB-CD2 4.26Å; E157-Y160 HydrophobicContact CB-CE2 4.47Å; E157-Y160 WeakPolarHBondContact O-CD2 3.14Å; E157-Y160 PolarHBondContact O-N 3.35Å; S158-Y160 PolarHBondContact O-N 2.95Å; Y160-K162 VanDerWaalsContact C-N 3.28Å; Y160-K162 PolarHBondContact O-N 3.41Å; Y160-R168 VanDerWaalsContact CD1-CZ 3.49Å; Y160-R168 PolarHBondContact O-NE 3.07Å; Y160-R168 PolarHBondContact O-NH2 3.12Å; Y160-Q407 PolarHBondContact OH-OE1 2.7Å; Y160-Q407 VanDerWaalsContact OH-OE1 3.13Å |
| 161 | L | 93.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | G | 310 helix | trans | -77.5 | -6.8 | 179 | -65.4 | 174.2 | 0 | 0 | 0 | 114.3 | V155 S158 H159 S163 T169 L172 V173 I176 M199 Q200 | V155-L161 HydrophobicContact CG1-CD1 4.42Å; S158-L161 WeakPolarHBondContact O-CB 3.25Å; S158-L161 PolarHBondContact O-N 2.74Å; H159-L161 PolarHBondContact O-N 3.49Å; L161-S163 PolarHBondContact O-N 3.31Å; L161-T169 HydrophobicContact CB-CG2 4.43Å; L161-T169 HydrophobicContact CD2-CG2 4.26Å; L161-T169 VanDerWaalsContact O-CG2 3.23Å; L161-T169 WeakPolarHBondContact O-CG2 3.36Å; L161-T169 PolarHBondContact O-OG1 3.35Å; L161-L172 HydrophobicContact CD2-CB 4.18Å; L161-L172 HydrophobicContact CD2-CD2 4.17Å; L161-V173 HydrophobicContact CD2-CG2 4.36Å; L161-I176 HydrophobicContact CD1-CD1 3.73Å; L161-M199 VanDerWaalsContact O-CB 3.26Å; L161-M199 WeakPolarHBondContact O-CB 3.39Å; L161-Q200 HydrophobicContact CB-CG 4.11Å |
| 162 | K | 90.9 | Very high | 93.4 | Very high | 48 Ų | 48 | 33.7 Ų | 33.7 | 21% | 0.209 | 17% | 0.166 | C | C | . | . | trans | -51.7 | -20.9 | -169.6 | 70.6 | -175.4 | -154.7 | 161.6 | 0 | 117.6 | H159 Y160 L191 E196 | H159-K162 VanDerWaalsContact O-CB 3.29Å; H159-K162 WeakPolarHBondContact O-CB 3.39Å; H159-K162 WeakPolarHBondContact O-CD 3.49Å; H159-K162 VanDerWaalsContact O-CG 3.29Å; H159-K162 WeakPolarHBondContact O-CG 3.35Å; H159-K162 PolarHBondContact O-N 3.25Å; Y160-K162 VanDerWaalsContact C-N 3.28Å; Y160-K162 PolarHBondContact O-N 3.41Å; K162-L191 HydrophobicContact CD-CD1 3.94Å; K162-E196 WeakPolarHBondContact CA-O 3.12Å; K162-E196 HydrophobicContact CB-CB 3.78Å; K162-E196 HydrophobicContact CB-CG 4.19Å; K162-E196 WeakPolarHBondContact CB-O 3.31Å; K162-E196 HydrophobicContact CD-CG 4.23Å; K162-E196 WeakPolarHBondContact CD-OE1 3.35Å; K162-E196 WeakPolarHBondContact CE-OE1 3.41Å; K162-E196 IonicContact NZ-OE1 3.37Å; K162-E196 PolarHBondContact NZ-OE1 2.75Å | ||
| 163 | S | 90.5 | Very high | 93.3 | Very high | 56 Ų | 56 | 34 Ų | 34 | 39% | 0.392 | 17% | 0.168 | S | C | . | . | trans | -112.4 | 108.1 | -176.2 | -58.2 | 0 | 0 | 0 | 0 | 111.5 | L161 N165 A166 T169 | L161-S163 PolarHBondContact O-N 3.31Å; S163-N165 PolarHBondContact O-N 3.25Å; S163-N165 VanDerWaalsContact O-N 3.11Å; S163-A166 WeakPolarHBondContact O-CB 3.2Å; S163-A166 PolarHBondContact O-N 3.14Å; S163-A166 VanDerWaalsContact O-N 3.15Å; S163-T169 WeakPolarHBondContact O-CB 3.41Å; S163-T169 PolarHBondContact O-OG1 2.97Å | ||
| 164 | R | 89.9 | Confident | 93.1 | Very high | 107 Ų | 107 | 37.2 Ų | 37.2 | 40% | 0.404 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | -34.9 | 176.6 | -176.3 | 177 | 63.6 | -170.6 | -9.3 | 114.1 | A166 K170 M199 | R164-A166 VanDerWaalsContact C-N 3.34Å; R164-A166 PolarHBondContact O-N 3Å; R164-K170 WeakPolarHBondContact O-CE 3.29Å; R164-M199 HydrophobicContact CB-CG 4.03Å; R164-M199 HydrophobicContact CB-SD 3.58Å; R164-M199 VanDerWaalsContact CB-SD 3.58Å; R164-M199 HydrophobicContact CG-SD 3.71Å |
| 165 | N | 89.5 | Confident | 92.9 | Very high | 121 Ų | 121 | 37.8 Ų | 37.8 | 65% | 0.647 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -18.9 | -173.4 | -67.6 | -1.7 | 0 | 0 | 0 | 113.3 | S163 K170 | S163-N165 PolarHBondContact O-N 3.25Å; S163-N165 VanDerWaalsContact O-N 3.11Å; N165-K170 WeakPolarHBondContact O-CE 3.35Å; N165-K170 PolarHBondContact O-NZ 2.94Å |
| 166 | A | 91.9 | Very high | 92.9 | Very high | 31 Ų | 31 | 37.8 Ų | 37.8 | 26% | 0.256 | 19% | 0.192 | S | C | . | . | S | Bend | trans | -72.2 | 144.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | S163 R164 R168 T169 K170 | S163-A166 WeakPolarHBondContact O-CB 3.2Å; S163-A166 PolarHBondContact O-N 3.14Å; S163-A166 VanDerWaalsContact O-N 3.15Å; R164-A166 VanDerWaalsContact C-N 3.34Å; R164-A166 PolarHBondContact O-N 3Å; A166-R168 HydrophobicContact CB-CG 4.37Å; A166-R168 PolarHBondContact O-N 3Å; A166-T169 PolarHBondContact O-N 2.68Å; A166-K170 PolarHBondContact O-N 2.87Å; A166-K170 VanDerWaalsContact O-N 3.15Å |
| 167 | A | 90.7 | Very high | 92.9 | Very high | 27 Ų | 27 | 40.5 Ų | 40.5 | 22% | 0.223 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.1 | -49.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T136 T169 K170 I171 | T136-A167 WeakPolarHBondContact OG1-CB 3.29Å; A167-T169 PolarHBondContact O-N 3.09Å; A167-K170 PolarHBondContact O-N 3.22Å; A167-K170 VanDerWaalsContact O-N 3.09Å; A167-I171 WeakPolarHBondContact O-CG1 3.46Å; A167-I171 PolarHBondContact O-N 3.24Å |
| 168 | R | 93.4 | Very high | 93 | Very high | 76 Ų | 76 | 44.1 Ų | 44.1 | 29% | 0.287 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -53 | -39.1 | 177.9 | 70.8 | -171.6 | -173.7 | -154.8 | 5.7 | 113.6 | L134 Y160 A166 L172 | L134-R168 HydrophobicContact CB-CB 3.86Å; L134-R168 WeakPolarHBondContact O-CA 3.44Å; L134-R168 PolarHBondContact O-N 2.81Å; Y160-R168 VanDerWaalsContact CD1-CZ 3.49Å; Y160-R168 PolarHBondContact O-NE 3.07Å; Y160-R168 PolarHBondContact O-NH2 3.12Å; A166-R168 HydrophobicContact CB-CG 4.37Å; A166-R168 PolarHBondContact O-N 3Å; R168-L172 VanDerWaalsContact O-CB 3.27Å; R168-L172 WeakPolarHBondContact O-CB 3.45Å; R168-L172 PolarHBondContact O-N 2.73Å |
| 169 | T | 94.3 | Very high | 93 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.006 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70.1 | -47 | 178.4 | -45.6 | 0 | 0 | 0 | 0 | 111 | L161 S163 A166 A167 I171 L172 V173 M199 | L161-T169 HydrophobicContact CB-CG2 4.43Å; L161-T169 HydrophobicContact CD2-CG2 4.26Å; L161-T169 VanDerWaalsContact O-CG2 3.23Å; L161-T169 WeakPolarHBondContact O-CG2 3.36Å; L161-T169 PolarHBondContact O-OG1 3.35Å; S163-T169 WeakPolarHBondContact O-CB 3.41Å; S163-T169 PolarHBondContact O-OG1 2.97Å; A166-T169 PolarHBondContact O-N 2.68Å; A167-T169 PolarHBondContact O-N 3.09Å; T169-I171 PolarHBondContact O-N 3.07Å; T169-L172 PolarHBondContact O-N 2.99Å; T169-V173 HydrophobicContact CG2-CG2 3.8Å; T169-V173 VanDerWaalsContact O-CB 3.31Å; T169-V173 WeakPolarHBondContact O-CB 3.2Å; T169-V173 VanDerWaalsContact O-CG2 3.23Å; T169-V173 WeakPolarHBondContact O-CG2 3.29Å; T169-V173 PolarHBondContact O-N 3.14Å; T169-M199 HydrophobicContact CG2-CB 4Å; T169-M199 HydrophobicContact CG2-CE 3.98Å; T169-M199 HydrophobicContact CG2-CG 3.97Å |
| 170 | K | 92.9 | Very high | 93.2 | Very high | 129 Ų | 129 | 49.6 Ų | 49.6 | 56% | 0.561 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -62.8 | -29.1 | 178.4 | -70.3 | 167.1 | 173.2 | 165.1 | 0 | 113.2 | R164 N165 A166 A167 P174 | R164-K170 WeakPolarHBondContact O-CE 3.29Å; N165-K170 WeakPolarHBondContact O-CE 3.35Å; N165-K170 PolarHBondContact O-NZ 2.94Å; A166-K170 PolarHBondContact O-N 2.87Å; A166-K170 VanDerWaalsContact O-N 3.15Å; A167-K170 PolarHBondContact O-N 3.22Å; A167-K170 VanDerWaalsContact O-N 3.09Å; K170-P174 VanDerWaalsContact O-CD 3.26Å; K170-P174 WeakPolarHBondContact O-CD 3.43Å; K170-P174 WeakPolarHBondContact O-CG 3.44Å |
| 171 | I | 92.8 | Very high | 93.5 | Very high | 24 Ų | 24 | 47.7 Ų | 47.7 | 12% | 0.123 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -82.2 | -49.1 | 176.9 | -66 | 163.6 | 0 | 0 | 0 | 111.1 | L134 V142 A167 T169 | L134-I171 HydrophobicContact CD2-CG2 3.83Å; V142-I171 HydrophobicContact CB-CG2 4.47Å; V142-I171 HydrophobicContact CG1-CG2 4.08Å; V142-I171 HydrophobicContact CG2-CD1 4.06Å; V142-I171 HydrophobicContact CG2-CG1 4.18Å; V142-I171 HydrophobicContact CG2-CG2 3.61Å; A167-I171 WeakPolarHBondContact O-CG1 3.46Å; A167-I171 PolarHBondContact O-N 3.24Å; T169-I171 PolarHBondContact O-N 3.07Å |
| 172 | L | 94.8 | Very high | 93.7 | Very high | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -82 | -31.2 | -169.7 | -168.3 | 62 | 0 | 0 | 0 | 113.7 | V84 Y131 L134 V155 L161 R168 T169 L175 I176 | V84-L172 HydrophobicContact CB-CD2 4.19Å; V84-L172 HydrophobicContact CG1-CD2 3.92Å; V84-L172 HydrophobicContact CG2-CD1 3.87Å; V84-L172 HydrophobicContact CG2-CD2 4.18Å; Y131-L172 HydrophobicContact CE1-CD2 4.14Å; L134-L172 HydrophobicContact CD1-CB 4.32Å; L134-L172 HydrophobicContact CD1-CD2 4.31Å; V155-L172 HydrophobicContact CG1-CD2 4.06Å; V155-L172 HydrophobicContact CG2-CD2 4.23Å; L161-L172 HydrophobicContact CD2-CB 4.18Å; L161-L172 HydrophobicContact CD2-CD2 4.17Å; R168-L172 VanDerWaalsContact O-CB 3.27Å; R168-L172 WeakPolarHBondContact O-CB 3.45Å; R168-L172 PolarHBondContact O-N 2.73Å; T169-L172 PolarHBondContact O-N 2.99Å; L172-L175 HydrophobicContact CD1-CB 4.35Å; L172-L175 HydrophobicContact CD1-CD1 4.23Å; L172-L175 PolarHBondContact O-N 2.76Å; L172-L175 VanDerWaalsContact O-N 3.12Å; L172-I176 HydrophobicContact CD2-CD1 4.28Å; L172-I176 HydrophobicContact CG-CD1 3.86Å; L172-I176 HydrophobicContact CG-CG1 4.12Å; L172-I176 WeakPolarHBondContact O-CG1 3.39Å; L172-I176 PolarHBondContact O-N 3.37Å |
| 173 | V | 95.5 | Very high | 94 | Very high | 7 Ų | 7 | 45.4 Ų | 45.4 | 4% | 0.042 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.3 | -47.9 | -179.7 | 170.7 | 0 | 0 | 0 | 0 | 112 | L161 T169 L175 I176 Q177 M199 A203 | L161-V173 HydrophobicContact CD2-CG2 4.36Å; T169-V173 HydrophobicContact CG2-CG2 3.8Å; T169-V173 VanDerWaalsContact O-CB 3.31Å; T169-V173 WeakPolarHBondContact O-CB 3.2Å; T169-V173 VanDerWaalsContact O-CG2 3.23Å; T169-V173 WeakPolarHBondContact O-CG2 3.29Å; T169-V173 PolarHBondContact O-N 3.14Å; V173-L175 VanDerWaalsContact C-N 3.29Å; V173-L175 PolarHBondContact O-N 2.76Å; V173-I176 PolarHBondContact O-N 3.23Å; V173-Q177 HydrophobicContact CG1-CG 4.24Å; V173-Q177 WeakPolarHBondContact O-CB 3.47Å; V173-Q177 VanDerWaalsContact O-CG 3.23Å; V173-Q177 WeakPolarHBondContact O-CG 3.44Å; V173-Q177 PolarHBondContact O-N 3.22Å; V173-M199 HydrophobicContact CB-CE 4.49Å; V173-M199 HydrophobicContact CG1-CE 4.22Å; V173-M199 HydrophobicContact CG2-CE 3.95Å; V173-A203 HydrophobicContact CG1-CB 4.18Å; V173-A203 HydrophobicContact CG2-CB 4.2Å |
| 174 | P | 94.4 | Very high | 94.4 | Very high | 68 Ų | 68 | 42.7 Ų | 42.7 | 44% | 0.442 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -56.4 | -37.5 | 172.7 | -28.1 | 36.4 | 0 | 0 | 0 | 114.4 | K170 Q177 S178 | K170-P174 VanDerWaalsContact O-CD 3.26Å; K170-P174 WeakPolarHBondContact O-CD 3.43Å; K170-P174 WeakPolarHBondContact O-CG 3.44Å; P174-Q177 PolarHBondContact O-N 2.81Å; P174-S178 WeakPolarHBondContact O-CB 3.35Å; P174-S178 PolarHBondContact O-N 2.81Å; P174-S178 PolarHBondContact O-OG 3.46Å |
| 175 | L | 93.9 | Very high | 94.7 | Very high | 14 Ų | 14 | 37.6 Ų | 37.6 | 7% | 0.073 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68.5 | -39.9 | 178.8 | -65.2 | 171.8 | 0 | 0 | 0 | 112 | L145 L172 V173 Q177 S178 A179 | L145-L175 HydrophobicContact CB-CD1 4.22Å; L145-L175 HydrophobicContact CD1-CD1 4.48Å; L172-L175 HydrophobicContact CD1-CB 4.35Å; L172-L175 HydrophobicContact CD1-CD1 4.23Å; L172-L175 PolarHBondContact O-N 2.76Å; L172-L175 VanDerWaalsContact O-N 3.12Å; V173-L175 VanDerWaalsContact C-N 3.29Å; V173-L175 PolarHBondContact O-N 2.76Å; L175-Q177 VanDerWaalsContact C-N 3.32Å; L175-S178 PolarHBondContact O-N 2.7Å; L175-S178 PolarHBondContact O-OG 3.08Å; L175-S178 VanDerWaalsContact O-OG 3.05Å; L175-A179 PolarHBondContact O-N 3.05Å; L175-A179 VanDerWaalsContact O-N 3.15Å |
| 176 | I | 96.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.1 | -35.9 | 173.7 | -58.1 | 159.5 | 0 | 0 | 0 | 110.8 | R53 V153 V155 L161 L172 V173 A182 L184 A203 | R53-I176 PolarHBondContact NH2-O 3.09Å; V153-I176 HydrophobicContact CG1-CG1 4.2Å; V155-I176 HydrophobicContact CG2-CD1 3.99Å; V155-I176 HydrophobicContact CG2-CG1 4.09Å; L161-I176 HydrophobicContact CD1-CD1 3.73Å; L172-I176 HydrophobicContact CD2-CD1 4.28Å; L172-I176 HydrophobicContact CG-CD1 3.86Å; L172-I176 HydrophobicContact CG-CG1 4.12Å; L172-I176 WeakPolarHBondContact O-CG1 3.39Å; L172-I176 PolarHBondContact O-N 3.37Å; V173-I176 PolarHBondContact O-N 3.23Å; I176-A182 HydrophobicContact CG2-CB 3.63Å; I176-L184 HydrophobicContact CD1-CD2 4.26Å; I176-A203 HydrophobicContact CB-CB 4.17Å; I176-A203 HydrophobicContact CD1-CB 3.93Å; I176-A203 HydrophobicContact CG2-CB 3.97Å; I176-A203 WeakPolarHBondContact CG2-O 2.84Å |
| 177 | Q | 95.7 | Very high | 94.7 | Very high | 66 Ų | 66 | 30.5 Ų | 30.5 | 31% | 0.308 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -72.7 | -32.5 | 178.6 | -70.7 | 174.8 | -21.9 | 0 | 0 | 112.7 | V173 P174 L175 D202 P206 | V173-Q177 HydrophobicContact CG1-CG 4.24Å; V173-Q177 WeakPolarHBondContact O-CB 3.47Å; V173-Q177 VanDerWaalsContact O-CG 3.23Å; V173-Q177 WeakPolarHBondContact O-CG 3.44Å; V173-Q177 PolarHBondContact O-N 3.22Å; P174-Q177 PolarHBondContact O-N 2.81Å; L175-Q177 VanDerWaalsContact C-N 3.32Å; Q177-D202 PolarHBondContact NE2-O 3.3Å; Q177-D202 PolarHBondContact NE2-OD2 3.41Å; Q177-D202 VanDerWaalsContact NE2-OD2 3.17Å; Q177-P206 HydrophobicContact CB-CG 4.49Å; Q177-P206 HydrophobicContact CG-CG 3.86Å |
| 178 | S | 94.1 | Very high | 94.5 | Very high | 90 Ų | 90 | 29.6 Ų | 29.6 | 63% | 0.629 | 15% | 0.15 | S | C | * | . | H | α-helix | trans | -81 | -24 | 176.4 | 59.8 | 0 | 0 | 0 | 0 | 114.5 | P174 L175 | P174-S178 WeakPolarHBondContact O-CB 3.35Å; P174-S178 PolarHBondContact O-N 2.81Å; P174-S178 PolarHBondContact O-OG 3.46Å; L175-S178 PolarHBondContact O-N 2.7Å; L175-S178 PolarHBondContact O-OG 3.08Å; L175-S178 VanDerWaalsContact O-OG 3.05Å |
| 179 | A | 95.8 | Very high | 94.3 | Very high | 6 Ų | 6 | 26 Ų | 26 | 5% | 0.05 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -66.1 | 153.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | R53 F150 V153 L175 | R53-A179 PolarHBondContact NH1-O 3.09Å; F150-A179 WeakPolarHBondContact O-CA 3.39Å; F150-A179 VanDerWaalsContact O-CB 3.26Å; F150-A179 WeakPolarHBondContact O-CB 3.23Å; V153-A179 HydrophobicContact CB-CB 4.2Å; V153-A179 HydrophobicContact CG2-CB 3.47Å; V153-A179 VanDerWaalsContact CG2-CB 3.47Å; L175-A179 PolarHBondContact O-N 3.05Å; L175-A179 VanDerWaalsContact O-N 3.15Å |
| 180 | K | 95.6 | Very high | 94.1 | Very high | 115 Ų | 115 | 26.2 Ų | 26.2 | 50% | 0.5 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -75.5 | -49.7 | 175.7 | -171.4 | 173.9 | 175.5 | -169.1 | 0 | 110.7 | R53 E78 A151 | R53-K180 PolarHBondContact NH1-O 3.49Å; E78-K180 WeakPolarHBondContact OE1-CE 3.39Å; E78-K180 IonicContact OE1-NZ 3.84Å; E78-K180 PolarHBondContact OE1-NZ 3.13Å; E78-K180 WeakPolarHBondContact OE2-CD 3.45Å; E78-K180 IonicContact OE2-NZ 2.88Å; A151-K180 HydrophobicContact CB-CB 4.38Å; A151-K180 CarbonylContact O-C 3.48Å; A151-K180 WeakPolarHBondContact O-CA 3.37Å; A151-K180 WeakPolarHBondContact O-CB 3.28Å; A151-K180 PolarHBondContact O-N 3.18Å |
| 181 | R | 96.8 | Very high | 93.6 | Very high | 14 Ų | 14 | 20.2 Ų | 20.2 | 5% | 0.053 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 140.1 | 177 | -41.7 | -60.5 | 175.3 | 161.9 | 4.8 | 110 | N51 G52 Y75 E78 A151 V152 V153 | N51-R181 VanDerWaalsContact C-NH1 3.29Å; N51-R181 VanDerWaalsContact O-CD 3.24Å; N51-R181 WeakPolarHBondContact O-CD 3.46Å; N51-R181 PolarHBondContact O-NH1 3.03Å; N51-R181 PolarHBondContact OD1-NH1 2.97Å; G52-R181 CarbonylContact O-C 2.92Å; G52-R181 WeakPolarHBondContact O-CA 3.39Å; Y75-R181 VanDerWaalsContact CD1-CZ 3.47Å; Y75-R181 HydrophobicContact CD2-CG 3.93Å; Y75-R181 VanDerWaalsContact CE1-NH1 3.34Å; Y75-R181 HydrophobicContact CE2-CG 4.48Å; Y75-R181 HydrophobicContact CG-CG 4.02Å; E78-R181 IonicContact OE1-CZ 3.26Å; E78-R181 IonicContact OE1-NE 3.26Å; E78-R181 IonicContact OE1-NH2 2.8Å; E78-R181 PolarHBondContact OE1-NH2 3.21Å; E78-R181 IonicContact OE2-CZ 3.57Å; E78-R181 IonicContact OE2-NE 2.7Å; E78-R181 PolarHBondContact OE2-NE 2.97Å; E78-R181 IonicContact OE2-NH2 2.76Å; E78-R181 PolarHBondContact OE2-NH2 2.91Å; A151-R181 PolarHBondContact O-N 2.86Å; V152-R181 HydrophobicContact CB-CB 4.38Å; V152-R181 HydrophobicContact CG1-CB 4.12Å; V152-R181 HydrophobicContact CG2-CB 4.18Å; V152-R181 HydrophobicContact CG2-CG 3.97Å; V153-R181 PolarHBondContact N-O 3.5Å |
| 182 | A | 97.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 110.8 | -175 | 0 | 0 | 0 | 0 | 0 | 110.6 | G52 R53 C54 V153 I176 L204 | G52-A182 CarbonylContact O-C 3.53Å; G52-A182 PolarHBondContact O-N 3.45Å; R53-A182 CarbonylContact C-O 3.6Å; R53-A182 VanDerWaalsContact CA-O 3.29Å; R53-A182 WeakPolarHBondContact CA-O 3.32Å; R53-A182 HydrophobicContact CG-CB 4.42Å; C54-A182 PolarHBondContact N-O 3.04Å; V153-A182 WeakPolarHBondContact O-CA 3.31Å; I176-A182 HydrophobicContact CG2-CB 3.63Å; A182-L204 HydrophobicContact CB-CD2 3.81Å; A182-L204 WeakPolarHBondContact O-CD2 3.31Å |
| 183 | I | 98.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 107.4 | -174 | -57 | 156.4 | 0 | 0 | 0 | 108.1 | I56 A68 V71 V153 V154 V155 L185 | I56-I183 HydrophobicContact CD1-CG2 4.35Å; A68-I183 HydrophobicContact CB-CG2 4.35Å; V71-I183 HydrophobicContact CB-CD1 3.91Å; V71-I183 HydrophobicContact CG1-CD1 3.59Å; V71-I183 HydrophobicContact CG1-CG1 4.15Å; V153-I183 PolarHBondContact O-N 3.4Å; V154-I183 WeakPolarHBondContact CA-O 3.4Å; V154-I183 HydrophobicContact CG2-CB 4.28Å; V154-I183 HydrophobicContact CG2-CD1 3.97Å; V155-I183 PolarHBondContact N-O 2.94Å; I183-L185 HydrophobicContact CG2-CD2 3.69Å; I183-L185 HydrophobicContact CG2-CG 4.4Å |
| 184 | L | 98 | Very high | 92.6 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 129.7 | 175.5 | -58.9 | -169 | 0 | 0 | 0 | 110.1 | C54 M55 I56 V155 I176 Q200 L204 | C54-L184 PolarHBondContact O-N 3.4Å; M55-L184 CarbonylContact C-O 3.47Å; M55-L184 VanDerWaalsContact CA-O 3.29Å; M55-L184 WeakPolarHBondContact CA-O 3.21Å; M55-L184 HydrophobicContact CB-CB 4.34Å; M55-L184 HydrophobicContact CE-CB 4.49Å; M55-L184 HydrophobicContact CE-CD1 4.05Å; M55-L184 HydrophobicContact CG-CB 4.18Å; I56-L184 PolarHBondContact N-O 2.83Å; V155-L184 HydrophobicContact CB-CD2 3.66Å; V155-L184 HydrophobicContact CG1-CD2 4.26Å; V155-L184 HydrophobicContact CG2-CD2 3.87Å; I176-L184 HydrophobicContact CD1-CD2 4.26Å; L184-Q200 HydrophobicContact CD1-CB 3.86Å; L184-Q200 HydrophobicContact CD1-CG 4.48Å; L184-Q200 WeakPolarHBondContact CD1-O 3.28Å; L184-L204 HydrophobicContact CD1-CD1 3.81Å; L184-L204 HydrophobicContact CD1-CD2 4.38Å; L184-L204 HydrophobicContact CD1-CG 3.73Å; L184-L204 HydrophobicContact CG-CD1 4.04Å; L184-L204 HydrophobicContact CG-CD2 3.99Å; L184-L204 HydrophobicContact CG-CG 3.89Å |
| 185 | L | 96.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 136.3 | 178.8 | -43.1 | 171 | 0 | 0 | 0 | 109.7 | I56 K64 A68 W93 V154 V155 D156 E157 S158 I183 | I56-L185 HydrophobicContact CB-CD2 3.77Å; I56-L185 HydrophobicContact CD1-CD2 4.01Å; I56-L185 HydrophobicContact CG1-CD2 4.1Å; K64-L185 HydrophobicContact CD-CB 4.45Å; A68-L185 HydrophobicContact CB-CD1 3.51Å; A68-L185 HydrophobicContact CB-CD2 3.8Å; A68-L185 HydrophobicContact CB-CG 4.22Å; W93-L185 HydrophobicContact CH2-CD1 3.63Å; W93-L185 HydrophobicContact CZ2-CD1 3.58Å; V154-L185 HydrophobicContact CG1-CD1 3.88Å; V154-L185 HydrophobicContact CG1-CG 4.44Å; V155-L185 PolarHBondContact O-N 3.35Å; D156-L185 HydrophobicContact CB-CD1 4.37Å; E157-L185 CarbonylContact C-O 3.58Å; E157-L185 VanDerWaalsContact CA-O 3.26Å; E157-L185 WeakPolarHBondContact CA-O 3.43Å; E157-L185 PolarHBondContact N-O 3.38Å; S158-L185 PolarHBondContact N-O 3.26Å; S158-L185 PolarHBondContact OG-O 2.92Å; I183-L185 HydrophobicContact CG2-CD2 3.69Å; I183-L185 HydrophobicContact CG2-CG 4.4Å |
| 186 | T | 92.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -165 | 142.5 | 176.1 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | M55 I56 A57 K64 S158 T188 P189 | M55-T186 HydrophobicContact CG-CG2 4.42Å; M55-T186 HydrophobicContact SD-CG2 4.18Å; I56-T186 PolarHBondContact O-N 2.98Å; A57-T186 WeakPolarHBondContact CA-O 3.31Å; K64-T186 VanDerWaalsContact CE-C 3.48Å; K64-T186 WeakPolarHBondContact CE-O 3.42Å; K64-T186 PolarHBondContact NZ-O 3.08Å; S158-T186 VanDerWaalsContact OG-CG2 3.29Å; S158-T186 WeakPolarHBondContact OG-CG2 3.44Å; T186-T188 VanDerWaalsContact C-N 3.29Å; T186-T188 PolarHBondContact OG1-N 3.09Å; T186-T188 PolarHBondContact OG1-O 3.11Å; T186-P189 HydrophobicContact CG2-CB 4.1Å; T186-P189 HydrophobicContact CG2-CG 3.75Å | ||
| 187 | G | 88.4 | Confident | 92.4 | Very high | 2 Ų | 2 | 21.8 Ų | 21.8 | 2% | 0.021 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -74.7 | -23.2 | 169 | 0 | 0 | 0 | 0 | 0 | 113.2 | R254 | G187-R254 PolarHBondContact O-NH1 2.86Š|
| 188 | T | 87.7 | Confident | 92.3 | Very high | 9 Ų | 9 | 19.2 Ų | 19.2 | 6% | 0.055 | 10% | 0.098 | C | C | . | . | trans | -143.6 | 80.9 | -168.8 | 51.9 | 0 | 0 | 0 | 0 | 109.8 | M60 H159 T186 A190 L191 Q431 | M60-T188 HydrophobicContact CE-CG2 4.33Å; H159-T188 WeakPolarHBondContact CB-O 3.49Å; T186-T188 VanDerWaalsContact C-N 3.29Å; T186-T188 PolarHBondContact OG1-N 3.09Å; T186-T188 PolarHBondContact OG1-O 3.11Å; T188-A190 VanDerWaalsContact C-N 3.28Å; T188-A190 PolarHBondContact O-N 3Å; T188-L191 WeakPolarHBondContact OG1-CD2 3.37Å; T188-Q431 PolarHBondContact OG1-NE2 3.29Å | ||
| 189 | P | 88.4 | Confident | 92.4 | Very high | 1 Ų | 1 | 15.7 Ų | 15.7 | 1% | 0.006 | 7% | 0.071 | C | C | . | . | S | Bend | trans | -52.1 | -42.9 | 180 | -26.7 | 30.4 | 0 | 0 | 0 | 114.1 | M55 A57 T186 L197 Q200 M252 L475 | M55-P189 HydrophobicContact SD-CB 3.94Å; M55-P189 HydrophobicContact SD-CG 3.98Å; A57-P189 HydrophobicContact CB-CG 3.54Å; T186-P189 HydrophobicContact CG2-CB 4.1Å; T186-P189 HydrophobicContact CG2-CG 3.75Å; P189-L197 VanDerWaalsContact C-CD2 3.46Å; P189-L197 HydrophobicContact CB-CD2 3.55Å; P189-Q200 PolarHBondContact O-NE2 2.88Å; P189-M252 HydrophobicContact CG-SD 3.96Å; P189-L475 HydrophobicContact CB-CD1 4.48Å; P189-L475 HydrophobicContact CB-CD2 3.91Å; P189-L475 HydrophobicContact CG-CD1 4.42Å; P189-L475 HydrophobicContact CG-CD2 4.15Å |
| 190 | A | 89.9 | Confident | 92.4 | Very high | 5 Ų | 5 | 15.4 Ų | 15.4 | 4% | 0.041 | 7% | 0.069 | C | C | . | . | trans | -109.9 | 146.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | T188 L197 T471 L475 | T188-A190 VanDerWaalsContact C-N 3.28Å; T188-A190 PolarHBondContact O-N 3Å; A190-L197 HydrophobicContact CB-CD2 3.99Å; A190-L197 HydrophobicContact CB-CG 4.11Å; A190-T471 HydrophobicContact CB-CG2 4.1Å; A190-L475 HydrophobicContact CB-CD1 4.38Å | ||
| 191 | L | 81.6 | Confident | 92.4 | Very high | 3 Ų | 3 | 10 Ų | 10 | 2% | 0.016 | 5% | 0.046 | C | C | . | . | S | Bend | trans | -100.3 | -18 | 176.4 | -69.3 | 168.1 | 0 | 0 | 0 | 112 | K162 T188 E196 P426 | K162-L191 HydrophobicContact CD-CD1 3.94Å; T188-L191 WeakPolarHBondContact OG1-CD2 3.37Å; L191-E196 WeakPolarHBondContact CA-OE2 3.4Å; L191-E196 PolarHBondContact N-OE2 3.08Å; L191-P426 WeakPolarHBondContact O-CD 3.36Å |
| 192 | G | 83.6 | Confident | 92.3 | Very high | 2 Ų | 2 | 10.9 Ų | 10.9 | 2% | 0.021 | 5% | 0.052 | C | C | . | . | S | Bend | trans | -172.8 | -5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | E196 | G192-E196 PolarHBondContact N-OE2 3.31Š|
| 193 | R | 87.9 | Confident | 92.2 | Very high | 78 Ų | 78 | 10.9 Ų | 10.9 | 29% | 0.294 | 5% | 0.052 | S | C | . | . | trans | -149.8 | 156.1 | -177.2 | -70.7 | 178.9 | -178 | 139.8 | 7.5 | 115.2 | E195 E196 R236 | R193-E195 VanDerWaalsContact C-N 3.27Å; R193-E195 HydrophobicContact CB-CG 3.85Å; R193-E195 WeakPolarHBondContact CD-OE1 3.01Å; R193-E195 IonicContact CZ-OE1 2.84Å; R193-E195 IonicContact NE-OE1 2.75Å; R193-E195 IonicContact NH1-OE1 3.66Å; R193-E195 PolarHBondContact NH1-OE1 3.34Å; R193-E195 PolarHBondContact O-N 3.23Å; R193-E196 PolarHBondContact N-OE2 2.76Å; R193-E196 PolarHBondContact O-N 2.98Å; R193-R236 WeakPolarHBondContact CD-O 3.36Å; R193-R236 PolarHBondContact NE-O 2.9Å | ||
| 194 | P | 92.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 5% | 0.052 | C | C | . | . | G | 310 helix | trans | -61.9 | -26.9 | 173.8 | -23.6 | 35.6 | 0 | 0 | 0 | 114.7 | E196 L197 Y215 A238 L241 L244 V470 | P194-E196 PolarHBondContact O-N 2.94Å; P194-L197 PolarHBondContact O-N 2.9Å; P194-Y215 WeakPolarHBondContact O-CE1 3.41Å; P194-Y215 PolarHBondContact O-OH 3.47Å; P194-A238 HydrophobicContact CG-CB 4.12Å; P194-L241 HydrophobicContact CG-CD2 3.73Å; P194-L244 HydrophobicContact CB-CD2 3.96Å; P194-V470 HydrophobicContact CG-CG1 4.23Å |
| 195 | E | 92.6 | Very high | 91.9 | Very high | 45 Ų | 45 | 13.2 Ų | 13.2 | 21% | 0.21 | 6% | 0.06 | C | C | . | . | G | 310 helix | trans | -59.3 | -27.6 | 178.8 | 65.2 | 176.5 | 156 | 0 | 0 | 113.1 | R193 L197 W212 | R193-E195 VanDerWaalsContact C-N 3.27Å; R193-E195 HydrophobicContact CB-CG 3.85Å; R193-E195 WeakPolarHBondContact CD-OE1 3.01Å; R193-E195 IonicContact CZ-OE1 2.84Å; R193-E195 IonicContact NE-OE1 2.75Å; R193-E195 IonicContact NH1-OE1 3.66Å; R193-E195 PolarHBondContact NH1-OE1 3.34Å; R193-E195 PolarHBondContact O-N 3.23Å; E195-L197 VanDerWaalsContact C-N 3.29Å; E195-L197 PolarHBondContact O-N 3.26Å; E195-W212 HydrophobicContact CB-CH2 4.12Å |
| 196 | E | 92.3 | Very high | 91.7 | Very high | 19 Ų | 19 | 16.5 Ų | 16.5 | 9% | 0.089 | 8% | 0.082 | C | C | . | . | G | 310 helix | trans | -75.2 | -15.3 | -176.2 | -62 | -177.5 | 124.2 | 0 | 0 | 113.6 | K162 L191 G192 R193 P194 Q200 | K162-E196 WeakPolarHBondContact CA-O 3.12Å; K162-E196 HydrophobicContact CB-CB 3.78Å; K162-E196 HydrophobicContact CB-CG 4.19Å; K162-E196 WeakPolarHBondContact CB-O 3.31Å; K162-E196 HydrophobicContact CD-CG 4.23Å; K162-E196 WeakPolarHBondContact CD-OE1 3.35Å; K162-E196 WeakPolarHBondContact CE-OE1 3.41Å; K162-E196 IonicContact NZ-OE1 3.37Å; K162-E196 PolarHBondContact NZ-OE1 2.75Å; L191-E196 WeakPolarHBondContact CA-OE2 3.4Å; L191-E196 PolarHBondContact N-OE2 3.08Å; G192-E196 PolarHBondContact N-OE2 3.31Å; R193-E196 PolarHBondContact N-OE2 2.76Å; R193-E196 PolarHBondContact O-N 2.98Å; P194-E196 PolarHBondContact O-N 2.94Å; E196-Q200 PolarHBondContact O-NE2 2.95Å |
| 197 | L | 94.1 | Very high | 91.6 | Very high | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.01 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -31.7 | -177.3 | -62.1 | 171.5 | 0 | 0 | 0 | 112.9 | P189 A190 P194 E195 M199 Q200 I201 L244 L248 T474 L475 | P189-L197 VanDerWaalsContact C-CD2 3.46Å; P189-L197 HydrophobicContact CB-CD2 3.55Å; A190-L197 HydrophobicContact CB-CD2 3.99Å; A190-L197 HydrophobicContact CB-CG 4.11Å; P194-L197 PolarHBondContact O-N 2.9Å; E195-L197 VanDerWaalsContact C-N 3.29Å; E195-L197 PolarHBondContact O-N 3.26Å; L197-M199 VanDerWaalsContact C-N 3.33Å; L197-M199 PolarHBondContact O-N 3.31Å; L197-M199 VanDerWaalsContact O-N 3.16Å; L197-Q200 WeakPolarHBondContact O-CB 3.3Å; L197-Q200 PolarHBondContact O-N 3.46Å; L197-I201 HydrophobicContact CB-CD1 4.03Å; L197-I201 WeakPolarHBondContact O-CG1 3.4Å; L197-I201 PolarHBondContact O-N 3.05Å; L197-L244 HydrophobicContact CD1-CD2 4.47Å; L197-L248 HydrophobicContact CD1-CD1 3.89Å; L197-T474 HydrophobicContact CD1-CG2 3.63Å; L197-L475 HydrophobicContact CD1-CD2 4.31Å; L197-L475 HydrophobicContact CD2-CD2 4.22Å |
| 198 | F | 95 | Very high | 91.7 | Very high | 12 Ų | 12 | 28.6 Ų | 28.6 | 5% | 0.053 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -52.7 | -46 | -167.7 | 178.9 | -93.4 | 0 | 0 | 0 | 113.4 | Q200 I201 D202 W212 Y215 | F198-Q200 VanDerWaalsContact C-N 3.28Å; F198-Q200 PolarHBondContact O-N 2.83Å; F198-I201 PolarHBondContact O-N 3.42Å; F198-D202 HydrophobicContact CE1-CB 4.17Å; F198-D202 HydrophobicContact CZ-CB 4.3Å; F198-D202 WeakPolarHBondContact O-CB 3.35Å; F198-D202 PolarHBondContact O-N 3.21Å; F198-W212 HydrophobicContact CB-CE3 4.02Å; F198-W212 HydrophobicContact CB-CZ3 3.97Å; F198-W212 AromaticContact CD1-CE3 3.67Å; F198-W212 HydrophobicContact CD1-CE3 3.67Å; F198-W212 HydrophobicContact CD1-CZ3 4.36Å; F198-W212 HydrophobicContact CD2-CE3 4.38Å; F198-W212 HydrophobicContact CE1-CB 4.05Å; F198-W212 HydrophobicContact CE1-CE3 4.28Å; F198-W212 AromaticContact CG-CE3 3.74Å; F198-W212 HydrophobicContact CG-CE3 3.74Å; F198-W212 HydrophobicContact CG-CZ3 4.21Å; F198-W212 HydrophobicContact CZ-CB 4.03Å; F198-Y215 HydrophobicContact CB-CD1 3.95Å; F198-Y215 HydrophobicContact CB-CE1 3.9Å; F198-Y215 HydrophobicContact CB-CG 4.47Å; F198-Y215 AromaticContact CD2-CD1 3.8Å; F198-Y215 HydrophobicContact CD2-CD1 3.8Å; F198-Y215 AromaticContact CD2-CD2 3.95Å; F198-Y215 HydrophobicContact CD2-CD2 3.95Å; F198-Y215 HydrophobicContact CD2-CE1 4.45Å; F198-Y215 AromaticContact CD2-CG 3.52Å; F198-Y215 HydrophobicContact CD2-CG 3.52Å; F198-Y215 HydrophobicContact CE2-CG 4.26Å; F198-Y215 HydrophobicContact CG-CD1 4.24Å; F198-Y215 HydrophobicContact CG-CG 4.4Å |
| 199 | M | 95.4 | Very high | 91.9 | Very high | 16 Ų | 16 | 28.6 Ų | 28.6 | 8% | 0.079 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -69.5 | -24.4 | -178 | -63.7 | -52.2 | -44 | 0 | 0 | 113.8 | L161 R164 T169 V173 L197 A203 | L161-M199 VanDerWaalsContact O-CB 3.26Å; L161-M199 WeakPolarHBondContact O-CB 3.39Å; R164-M199 HydrophobicContact CB-CG 4.03Å; R164-M199 HydrophobicContact CB-SD 3.58Å; R164-M199 VanDerWaalsContact CB-SD 3.58Å; R164-M199 HydrophobicContact CG-SD 3.71Å; T169-M199 HydrophobicContact CG2-CB 4Å; T169-M199 HydrophobicContact CG2-CE 3.98Å; T169-M199 HydrophobicContact CG2-CG 3.97Å; V173-M199 HydrophobicContact CB-CE 4.49Å; V173-M199 HydrophobicContact CG1-CE 4.22Å; V173-M199 HydrophobicContact CG2-CE 3.95Å; L197-M199 VanDerWaalsContact C-N 3.33Å; L197-M199 PolarHBondContact O-N 3.31Å; L197-M199 VanDerWaalsContact O-N 3.16Å; M199-A203 VanDerWaalsContact O-CB 3.31Å; M199-A203 WeakPolarHBondContact O-CB 3.39Å; M199-A203 PolarHBondContact O-N 2.89Å |
| 200 | Q | 95.8 | Very high | 92 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -78.9 | -38.6 | 175.3 | -62.7 | 172.4 | 83.6 | 0 | 0 | 110.4 | M55 S158 L161 L184 P189 E196 L197 F198 L204 | M55-Q200 HydrophobicContact CE-CB 3.64Å; M55-Q200 HydrophobicContact CE-CG 4.46Å; S158-Q200 VanDerWaalsContact C-OE1 3.24Å; S158-Q200 PolarHBondContact O-OE1 3.24Å; S158-Q200 PolarHBondContact OG-OE1 2.57Å; L161-Q200 HydrophobicContact CB-CG 4.11Å; L184-Q200 HydrophobicContact CD1-CB 3.86Å; L184-Q200 HydrophobicContact CD1-CG 4.48Å; L184-Q200 WeakPolarHBondContact CD1-O 3.28Å; P189-Q200 PolarHBondContact O-NE2 2.88Å; E196-Q200 PolarHBondContact O-NE2 2.95Å; L197-Q200 WeakPolarHBondContact O-CB 3.3Å; L197-Q200 PolarHBondContact O-N 3.46Å; F198-Q200 VanDerWaalsContact C-N 3.28Å; F198-Q200 PolarHBondContact O-N 2.83Å; Q200-L204 PolarHBondContact O-N 2.7Å |
| 201 | I | 95.3 | Very high | 92.2 | Very high | 3 Ų | 3 | 33.1 Ų | 33.1 | 2% | 0.015 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.7 | -51.4 | 173.5 | -62.1 | 168.4 | 0 | 0 | 0 | 110.7 | L197 F198 A203 L204 Y205 F209 Y215 L248 I251 | L197-I201 HydrophobicContact CB-CD1 4.03Å; L197-I201 WeakPolarHBondContact O-CG1 3.4Å; L197-I201 PolarHBondContact O-N 3.05Å; F198-I201 PolarHBondContact O-N 3.42Å; I201-A203 VanDerWaalsContact C-N 3.31Å; I201-A203 PolarHBondContact O-N 3.43Å; I201-L204 PolarHBondContact O-N 3.33Å; I201-Y205 PolarHBondContact O-N 3.06Å; I201-F209 HydrophobicContact CD1-CD1 4.31Å; I201-F209 HydrophobicContact CD1-CE1 4.34Å; I201-F209 HydrophobicContact CD1-CG 4.49Å; I201-F209 HydrophobicContact CG2-CB 4.16Å; I201-F209 HydrophobicContact CG2-CD2 3.23Å; I201-F209 HydrophobicContact CG2-CE2 3.61Å; I201-F209 HydrophobicContact CG2-CG 3.74Å; I201-F209 HydrophobicContact CG2-CZ 4.37Å; I201-Y215 HydrophobicContact CD1-CE2 4.01Å; I201-L248 HydrophobicContact CD1-CD2 3.89Å; I201-L248 HydrophobicContact CG1-CD2 4.11Å; I201-I251 HydrophobicContact CG1-CD1 4.36Å; I201-I251 HydrophobicContact CG2-CD1 4.29Å |
| 202 | D | 95.7 | Very high | 92.7 | Very high | 32 Ų | 32 | 35.1 Ų | 35.1 | 17% | 0.171 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.1 | -28.8 | -176.6 | -168.4 | 67.8 | 0 | 0 | 0 | 112.4 | Q177 F198 P206 K207 | Q177-D202 PolarHBondContact NE2-O 3.3Å; Q177-D202 PolarHBondContact NE2-OD2 3.41Å; Q177-D202 VanDerWaalsContact NE2-OD2 3.17Å; F198-D202 HydrophobicContact CE1-CB 4.17Å; F198-D202 HydrophobicContact CZ-CB 4.3Å; F198-D202 WeakPolarHBondContact O-CB 3.35Å; F198-D202 PolarHBondContact O-N 3.21Å; D202-P206 WeakPolarHBondContact O-CA 3.28Å; D202-P206 WeakPolarHBondContact O-CD 3.38Å; D202-P206 WeakPolarHBondContact O-CG 3.49Å; D202-P206 WeakPolarHBondContact OD1-CA 3.28Å; D202-K207 PolarHBondContact OD1-N 2.82Å |
| 203 | A | 95.9 | Very high | 93 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.9 | -42.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R53 V173 I176 M199 I201 | R53-A203 PolarHBondContact NH2-O 3.32Å; V173-A203 HydrophobicContact CG1-CB 4.18Å; V173-A203 HydrophobicContact CG2-CB 4.2Å; I176-A203 HydrophobicContact CB-CB 4.17Å; I176-A203 HydrophobicContact CD1-CB 3.93Å; I176-A203 HydrophobicContact CG2-CB 3.97Å; I176-A203 WeakPolarHBondContact CG2-O 2.84Å; M199-A203 VanDerWaalsContact O-CB 3.31Å; M199-A203 WeakPolarHBondContact O-CB 3.39Å; M199-A203 PolarHBondContact O-N 2.89Å; I201-A203 VanDerWaalsContact C-N 3.31Å; I201-A203 PolarHBondContact O-N 3.43Å |
| 204 | L | 95.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -72.7 | -48.7 | 177.3 | -76.2 | 173.8 | 0 | 0 | 0 | 112.1 | R53 M55 A182 L184 Q200 I201 | R53-L204 PolarHBondContact NE-O 2.87Å; R53-L204 PolarHBondContact NH2-O 3.03Å; M55-L204 HydrophobicContact CB-CD1 4.05Å; A182-L204 HydrophobicContact CB-CD2 3.81Å; A182-L204 WeakPolarHBondContact O-CD2 3.31Å; L184-L204 HydrophobicContact CD1-CD1 3.81Å; L184-L204 HydrophobicContact CD1-CD2 4.38Å; L184-L204 HydrophobicContact CD1-CG 3.73Å; L184-L204 HydrophobicContact CG-CD1 4.04Å; L184-L204 HydrophobicContact CG-CD2 3.99Å; L184-L204 HydrophobicContact CG-CG 3.89Å; Q200-L204 PolarHBondContact O-N 2.7Å; I201-L204 PolarHBondContact O-N 3.33Å |
| 205 | Y | 94.3 | Very high | 93.4 | Very high | 48 Ų | 48 | 38.2 Ų | 38.2 | 19% | 0.188 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -139.3 | 86.1 | -172.4 | -65.8 | -78.1 | 0 | 0 | 0 | 110.8 | R53 I201 K207 R208 I251 | R53-Y205 HydrophobicContact CB-CE1 4.47Å; R53-Y205 PolarHBondContact O-OH 2.87Å; I201-Y205 PolarHBondContact O-N 3.06Å; Y205-K207 PolarHBondContact O-N 2.8Å; Y205-R208 WeakPolarHBondContact O-CB 3.42Å; Y205-R208 PolarHBondContact O-N 3.45Å; Y205-I251 HydrophobicContact CD2-CB 4.25Å; Y205-I251 HydrophobicContact CD2-CG2 3.68Å; Y205-I251 HydrophobicContact CE2-CB 3.89Å; Y205-I251 HydrophobicContact CE2-CG2 3.4Å |
| 206 | P | 92.3 | Very high | 93.4 | Very high | 69 Ų | 69 | 36.1 Ų | 36.1 | 45% | 0.448 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 136 | -178.2 | -28.3 | 34.4 | 0 | 0 | 0 | 113 | Q177 D202 R208 | Q177-P206 HydrophobicContact CB-CG 4.49Å; Q177-P206 HydrophobicContact CG-CG 3.86Å; D202-P206 WeakPolarHBondContact O-CA 3.28Å; D202-P206 WeakPolarHBondContact O-CD 3.38Å; D202-P206 WeakPolarHBondContact O-CG 3.49Å; D202-P206 WeakPolarHBondContact OD1-CA 3.28Å; P206-R208 PolarHBondContact O-N 3.1Å |
| 207 | K | 89.6 | Confident | 93.4 | Very high | 169 Ų | 169 | 41.1 Ų | 41.1 | 74% | 0.735 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | -1.4 | 179 | -52.6 | 176.9 | -179.1 | 176.4 | 0 | 116.6 | D202 Y205 F209 G210 | D202-K207 PolarHBondContact OD1-N 2.82Å; Y205-K207 PolarHBondContact O-N 2.8Å; K207-F209 PolarHBondContact O-N 3.15Å; K207-G210 PolarHBondContact O-N 3.25Å |
| 208 | R | 90.6 | Very high | 93.4 | Very high | 87 Ų | 87 | 44.8 Ų | 44.8 | 33% | 0.328 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -21.6 | -177.4 | -179.2 | 174.4 | 175.8 | 167.6 | -1.8 | 113.5 | Y205 P206 R247 I251 | Y205-R208 WeakPolarHBondContact O-CB 3.42Å; Y205-R208 PolarHBondContact O-N 3.45Å; P206-R208 PolarHBondContact O-N 3.1Å; R208-R247 PolarHBondContact O-NH2 2.86Å; R208-I251 VanDerWaalsContact CZ-CG2 3.42Å |
| 209 | F | 91.6 | Very high | 93.4 | Very high | 10 Ų | 10 | 44.3 Ų | 44.3 | 4% | 0.044 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | 21.7 | 177 | -78.1 | -115.2 | 0 | 0 | 0 | 113 | I201 K207 Y215 Y219 L244 R247 I251 | I201-F209 HydrophobicContact CD1-CD1 4.31Å; I201-F209 HydrophobicContact CD1-CE1 4.34Å; I201-F209 HydrophobicContact CD1-CG 4.49Å; I201-F209 HydrophobicContact CG2-CB 4.16Å; I201-F209 HydrophobicContact CG2-CD2 3.23Å; I201-F209 HydrophobicContact CG2-CE2 3.61Å; I201-F209 HydrophobicContact CG2-CG 3.74Å; I201-F209 HydrophobicContact CG2-CZ 4.37Å; K207-F209 PolarHBondContact O-N 3.15Å; F209-Y215 HydrophobicContact CB-CD2 4.11Å; F209-Y215 HydrophobicContact CD1-CD2 4.32Å; F209-Y215 HydrophobicContact CD1-CE2 4.23Å; F209-Y219 HydrophobicContact CD1-CE2 4.45Å; F209-L244 HydrophobicContact CD1-CD1 4.33Å; F209-L244 HydrophobicContact CE1-CD1 3.92Å; F209-R247 HydrophobicContact CE1-CB 3.59Å; F209-R247 HydrophobicContact CE1-CG 4.5Å; F209-R247 HydrophobicContact CZ-CB 3.59Å; F209-I251 HydrophobicContact CE2-CD1 4.15Å; F209-I251 HydrophobicContact CZ-CD1 4.45Å |
| 210 | G | 91.6 | Very high | 93.2 | Very high | 30 Ų | 30 | 43.5 Ų | 43.5 | 31% | 0.309 | 22% | 0.217 | S | C | . | . | trans | 82 | -166.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K207 | K207-G210 PolarHBondContact O-N 3.25Š| ||
| 211 | T | 93.2 | Very high | 93 | Very high | 70 Ų | 70 | 47.3 Ų | 47.3 | 43% | 0.429 | 24% | 0.238 | S | C | . | . | trans | -76.3 | 166.8 | 168.1 | 71.8 | 0 | 0 | 0 | 0 | 110.7 | T213 D214 Y215 | T211-T213 PolarHBondContact O-N 2.93Å; T211-T213 PolarHBondContact OG1-N 3.39Å; T211-T213 PolarHBondContact OG1-OG1 2.91Å; T211-D214 WeakPolarHBondContact CA-OD2 3.35Å; T211-D214 VanDerWaalsContact CB-OD2 3.28Å; T211-D214 WeakPolarHBondContact CB-OD2 3.31Å; T211-D214 WeakPolarHBondContact CG2-OD2 3.49Å; T211-D214 PolarHBondContact N-OD2 2.9Å; T211-D214 PolarHBondContact O-N 3.31Å; T211-D214 VanDerWaalsContact O-N 3.11Å; T211-D214 PolarHBondContact OG1-N 2.9Å; T211-D214 PolarHBondContact OG1-OD1 3.13Å; T211-D214 PolarHBondContact OG1-OD2 3.03Å; T211-Y215 PolarHBondContact O-N 3.26Å | ||
| 212 | W | 92.1 | Very high | 92.7 | Very high | 45 Ų | 45 | 47.8 Ų | 47.8 | 17% | 0.17 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -50.8 | -41.4 | 170.4 | 164.3 | -94.5 | 0 | 0 | 0 | 112.6 | E195 F198 D214 A216 C235 | E195-W212 HydrophobicContact CB-CH2 4.12Å; F198-W212 HydrophobicContact CB-CE3 4.02Å; F198-W212 HydrophobicContact CB-CZ3 3.97Å; F198-W212 AromaticContact CD1-CE3 3.67Å; F198-W212 HydrophobicContact CD1-CE3 3.67Å; F198-W212 HydrophobicContact CD1-CZ3 4.36Å; F198-W212 HydrophobicContact CD2-CE3 4.38Å; F198-W212 HydrophobicContact CE1-CB 4.05Å; F198-W212 HydrophobicContact CE1-CE3 4.28Å; F198-W212 AromaticContact CG-CE3 3.74Å; F198-W212 HydrophobicContact CG-CE3 3.74Å; F198-W212 HydrophobicContact CG-CZ3 4.21Å; F198-W212 HydrophobicContact CZ-CB 4.03Å; W212-D214 VanDerWaalsContact C-N 3.31Å; W212-D214 PolarHBondContact O-N 2.75Å; W212-A216 HydrophobicContact CZ2-CB 4.23Å; W212-A216 WeakPolarHBondContact O-CB 3.31Å; W212-A216 PolarHBondContact O-N 3.37Å; W212-C235 HydrophobicContact CZ2-CB 4.26Å |
| 213 | T | 91.3 | Very high | 92.2 | Very high | 68 Ų | 68 | 50 Ų | 50 | 42% | 0.417 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -66.2 | -33.6 | -178.3 | 19.4 | 0 | 0 | 0 | 0 | 112.5 | T211 K217 | T211-T213 PolarHBondContact O-N 2.93Å; T211-T213 PolarHBondContact OG1-N 3.39Å; T211-T213 PolarHBondContact OG1-OG1 2.91Å; T213-K217 WeakPolarHBondContact O-CB 3.42Å; T213-K217 VanDerWaalsContact O-CG 3.25Å; T213-K217 WeakPolarHBondContact O-CG 3.37Å; T213-K217 PolarHBondContact O-N 2.67Å |
| 214 | D | 92.9 | Very high | 91.6 | Very high | 78 Ų | 78 | 55.1 Ų | 55.1 | 42% | 0.417 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -76.6 | -46 | 178.7 | -44.9 | -42.8 | 0 | 0 | 0 | 110.1 | T211 W212 A216 K217 K218 | T211-D214 WeakPolarHBondContact CA-OD2 3.35Å; T211-D214 VanDerWaalsContact CB-OD2 3.28Å; T211-D214 WeakPolarHBondContact CB-OD2 3.31Å; T211-D214 WeakPolarHBondContact CG2-OD2 3.49Å; T211-D214 PolarHBondContact N-OD2 2.9Å; T211-D214 PolarHBondContact O-N 3.31Å; T211-D214 VanDerWaalsContact O-N 3.11Å; T211-D214 PolarHBondContact OG1-N 2.9Å; T211-D214 PolarHBondContact OG1-OD1 3.13Å; T211-D214 PolarHBondContact OG1-OD2 3.03Å; W212-D214 VanDerWaalsContact C-N 3.31Å; W212-D214 PolarHBondContact O-N 2.75Å; D214-A216 PolarHBondContact O-N 3.2Å; D214-K217 PolarHBondContact O-N 3.18Å; D214-K218 VanDerWaalsContact O-CB 3.27Å; D214-K218 WeakPolarHBondContact O-CB 3.28Å; D214-K218 PolarHBondContact O-N 3.43Å |
| 215 | Y | 94.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.4 | -46.5 | 174.8 | -178.1 | -88.4 | 0 | 0 | 0 | 111.9 | P194 F198 I201 F209 T211 K218 Y219 L244 | P194-Y215 WeakPolarHBondContact O-CE1 3.41Å; P194-Y215 PolarHBondContact O-OH 3.47Å; F198-Y215 HydrophobicContact CB-CD1 3.95Å; F198-Y215 HydrophobicContact CB-CE1 3.9Å; F198-Y215 HydrophobicContact CB-CG 4.47Å; F198-Y215 AromaticContact CD2-CD1 3.8Å; F198-Y215 HydrophobicContact CD2-CD1 3.8Å; F198-Y215 AromaticContact CD2-CD2 3.95Å; F198-Y215 HydrophobicContact CD2-CD2 3.95Å; F198-Y215 HydrophobicContact CD2-CE1 4.45Å; F198-Y215 AromaticContact CD2-CG 3.52Å; F198-Y215 HydrophobicContact CD2-CG 3.52Å; F198-Y215 HydrophobicContact CE2-CG 4.26Å; F198-Y215 HydrophobicContact CG-CD1 4.24Å; F198-Y215 HydrophobicContact CG-CG 4.4Å; I201-Y215 HydrophobicContact CD1-CE2 4.01Å; F209-Y215 HydrophobicContact CB-CD2 4.11Å; F209-Y215 HydrophobicContact CD1-CD2 4.32Å; F209-Y215 HydrophobicContact CD1-CE2 4.23Å; T211-Y215 PolarHBondContact O-N 3.26Å; Y215-K218 PolarHBondContact O-N 3.29Å; Y215-Y219 AromaticContact CD2-CD2 3.47Å; Y215-Y219 HydrophobicContact CD2-CD2 3.47Å; Y215-Y219 VanDerWaalsContact CD2-CD2 3.47Å; Y215-Y219 AromaticContact CD2-CE2 3.92Å; Y215-Y219 HydrophobicContact CD2-CE2 3.92Å; Y215-Y219 AromaticContact CE2-CD2 3.65Å; Y215-Y219 HydrophobicContact CE2-CD2 3.65Å; Y215-Y219 HydrophobicContact CE2-CE2 4.22Å; Y215-Y219 HydrophobicContact CE2-CG 4.41Å; Y215-Y219 HydrophobicContact CG-CD2 4.02Å; Y215-Y219 PolarHBondContact O-N 3.02Å; Y215-L244 HydrophobicContact CE2-CD1 3.96Å |
| 216 | A | 92.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.4 | -46.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | W212 D214 K218 C220 A222 | W212-A216 HydrophobicContact CZ2-CB 4.23Å; W212-A216 WeakPolarHBondContact O-CB 3.31Å; W212-A216 PolarHBondContact O-N 3.37Å; D214-A216 PolarHBondContact O-N 3.2Å; A216-K218 PolarHBondContact O-N 2.81Å; A216-C220 CarbonylContact O-C 3.51Å; A216-C220 WeakPolarHBondContact O-CA 3.39Å; A216-C220 VanDerWaalsContact O-CB 3.31Å; A216-C220 WeakPolarHBondContact O-CB 3.19Å; A216-C220 PolarHBondContact O-N 2.8Å; A216-A222 HydrophobicContact CB-CB 3.81Å; A216-A222 WeakPolarHBondContact O-CB 3.46Å; A216-A222 PolarHBondContact O-N 3.32Å; A216-A222 VanDerWaalsContact O-N 3.11Å |
| 217 | K | 92.4 | Very high | 87.4 | Confident | 124 Ų | 124 | 65.6 Ų | 65.6 | 54% | 0.539 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59 | -46.6 | 173.8 | -75.6 | 172.7 | 179.8 | 178.7 | 0 | 111.3 | T213 D214 W233 | T213-K217 WeakPolarHBondContact O-CB 3.42Å; T213-K217 VanDerWaalsContact O-CG 3.25Å; T213-K217 WeakPolarHBondContact O-CG 3.37Å; T213-K217 PolarHBondContact O-N 2.67Å; D214-K217 PolarHBondContact O-N 3.18Å; K217-W233 HydrophobicContact CG-CH2 3.95Å; K217-W233 HydrophobicContact CG-CZ2 3.96Å |
| 218 | K | 93.9 | Very high | 86.1 | Confident | 80 Ų | 80 | 60.5 Ų | 60.5 | 35% | 0.348 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -75.7 | -39.8 | -171.9 | -169.1 | 168.9 | -175.2 | -175.5 | 0 | 113.9 | D214 Y215 A216 S239 N240 E243 | D214-K218 VanDerWaalsContact O-CB 3.27Å; D214-K218 WeakPolarHBondContact O-CB 3.28Å; D214-K218 PolarHBondContact O-N 3.43Å; Y215-K218 PolarHBondContact O-N 3.29Å; A216-K218 PolarHBondContact O-N 2.81Å; K218-S239 VanDerWaalsContact C-OG 3.28Å; K218-S239 PolarHBondContact O-OG 3.2Å; K218-N240 PolarHBondContact O-ND2 3.39Å; K218-E243 WeakPolarHBondContact CE-OE1 3.45Å; K218-E243 WeakPolarHBondContact CE-OE2 3.38Å; K218-E243 IonicContact NZ-OE1 2.88Å; K218-E243 PolarHBondContact NZ-OE1 3.44Å; K218-E243 IonicContact NZ-OE2 3.15Å; K218-E243 PolarHBondContact NZ-OE2 2.97Å |
| 219 | Y | 94.4 | Very high | 84.3 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 0% | 0.004 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -119.6 | -17.6 | -169.5 | -53.7 | -67.6 | 0 | 0 | 0 | 115.7 | F209 Y215 A238 S239 N240 E243 L244 R247 | F209-Y219 HydrophobicContact CD1-CE2 4.45Å; Y215-Y219 AromaticContact CD2-CD2 3.47Å; Y215-Y219 HydrophobicContact CD2-CD2 3.47Å; Y215-Y219 VanDerWaalsContact CD2-CD2 3.47Å; Y215-Y219 AromaticContact CD2-CE2 3.92Å; Y215-Y219 HydrophobicContact CD2-CE2 3.92Å; Y215-Y219 AromaticContact CE2-CD2 3.65Å; Y215-Y219 HydrophobicContact CE2-CD2 3.65Å; Y215-Y219 HydrophobicContact CE2-CE2 4.22Å; Y215-Y219 HydrophobicContact CE2-CG 4.41Å; Y215-Y219 HydrophobicContact CG-CD2 4.02Å; Y215-Y219 PolarHBondContact O-N 3.02Å; Y219-A238 WeakPolarHBondContact O-CA 3.4Å; Y219-S239 VanDerWaalsContact C-OG 3.23Å; Y219-S239 WeakPolarHBondContact CA-O 3.4Å; Y219-S239 VanDerWaalsContact CA-OG 3.3Å; Y219-S239 WeakPolarHBondContact CA-OG 3.29Å; Y219-S239 PolarHBondContact N-OG 3.36Å; Y219-S239 PolarHBondContact O-N 3.01Å; Y219-N240 HydrophobicContact CD1-CB 3.95Å; Y219-N240 HydrophobicContact CE1-CB 4.15Å; Y219-E243 PolarHBondContact OH-OE1 2.92Å; Y219-L244 HydrophobicContact CD1-CB 3.72Å; Y219-L244 HydrophobicContact CD1-CD1 4.48Å; Y219-L244 HydrophobicContact CD1-CD2 4.35Å; Y219-L244 HydrophobicContact CD1-CG 4.39Å; Y219-L244 HydrophobicContact CD2-CD1 4.43Å; Y219-L244 HydrophobicContact CE1-CB 3.9Å; Y219-L244 HydrophobicContact CG-CB 4.34Å; Y219-L244 HydrophobicContact CG-CD1 4.38Å; Y219-L244 HydrophobicContact CG-CD2 4.2Å; Y219-R247 WeakPolarHBondContact OH-CD 3.4Å; Y219-R247 PolarHBondContact OH-NH1 3.04Å |
| 220 | C | 92.2 | Very high | 82.7 | Confident | 0 Ų | 0 | 70.7 Ų | 70.7 | 0% | 0 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -104.4 | 11.3 | -180 | -52.9 | 0 | 0 | 0 | 0 | 113 | A216 A222 C235 G237 | A216-C220 CarbonylContact O-C 3.51Å; A216-C220 WeakPolarHBondContact O-CA 3.39Å; A216-C220 VanDerWaalsContact O-CB 3.31Å; A216-C220 WeakPolarHBondContact O-CB 3.19Å; A216-C220 PolarHBondContact O-N 2.8Å; C220-A222 PolarHBondContact O-N 2.9Å; C220-C235 HydrophobicContact CB-CB 4.43Å; C220-C235 WeakPolarHBondContact CB-O 3.36Å; C220-G237 CarbonylContact O-C 3.58Å; C220-G237 VanDerWaalsContact O-C 3.25Å; C220-G237 VanDerWaalsContact O-CA 3.31Å; C220-G237 WeakPolarHBondContact O-CA 3.27Å; C220-G237 PolarHBondContact O-N 3.23Å |
| 221 | N | 91.4 | Very high | 81.9 | Confident | 80 Ų | 80 | 76 Ų | 76 | 43% | 0.428 | 37% | 0.367 | S | S | . | . | trans | 43.8 | 47.5 | -168.9 | -168 | 15.7 | 0 | 0 | 0 | 112.7 | H223 S239 | N221-H223 PolarHBondContact O-N 2.72Å; N221-H223 PolarHBondContact O-ND1 3.2Å; N221-S239 PolarHBondContact N-OG 3.22Å; N221-S239 VanDerWaalsContact N-OG 3.12Å | ||
| 222 | A | 88 | Confident | 81.2 | Confident | 13 Ų | 13 | 77.2 Ų | 77.2 | 11% | 0.107 | 37% | 0.368 | C | S | . | . | trans | -74 | 120.6 | -170.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A216 C220 W233 D234 | A216-A222 HydrophobicContact CB-CB 3.81Å; A216-A222 WeakPolarHBondContact O-CB 3.46Å; A216-A222 PolarHBondContact O-N 3.32Å; A216-A222 VanDerWaalsContact O-N 3.11Å; C220-A222 PolarHBondContact O-N 2.9Å; A222-W233 HydrophobicContact CB-CH2 4.27Å; A222-W233 HydrophobicContact CB-CZ2 3.62Å; A222-D234 WeakPolarHBondContact CA-O 3.43Å; A222-D234 VanDerWaalsContact CB-O 3.32Å; A222-D234 WeakPolarHBondContact CB-O 3.42Å | ||
| 223 | H | 85.9 | Confident | 80.6 | Confident | 79 Ų | 79 | 78.7 Ų | 78.7 | 37% | 0.366 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 167.4 | -175.7 | 60.1 | -86 | 0 | 0 | 0 | 110.5 | N221 D234 | N221-H223 PolarHBondContact O-N 2.72Å; N221-H223 PolarHBondContact O-ND1 3.2Å; H223-D234 PolarHBondContact N-O 3.15Å; H223-D234 PolarHBondContact O-N 3.48Å |
| 224 | Y | 83.1 | Confident | 80.2 | Confident | 107 Ų | 107 | 76 Ų | 76 | 42% | 0.42 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 118.8 | 170.3 | -74.7 | -64.5 | 0 | 0 | 0 | 110.4 | R231 Q232 W233 | Y224-R231 HydrophobicContact CD1-CG 3.58Å; Y224-R231 HydrophobicContact CE1-CG 4.45Å; Y224-R231 HydrophobicContact CG-CG 3.75Å; Y224-R231 VanDerWaalsContact CG-NE 3.31Å; Y224-R231 PolarHBondContact OH-NH2 2.87Å; Y224-Q232 CarbonylContact C-O 3.6Å; Y224-Q232 WeakPolarHBondContact CA-O 3.49Å; Y224-W233 HydrophobicContact CD1-CB 4.33Å; Y224-W233 AromaticContact CD1-CE3 3.56Å; Y224-W233 HydrophobicContact CD1-CE3 3.56Å; Y224-W233 HydrophobicContact CD1-CZ3 4.31Å; Y224-W233 AromaticContact CD2-CE3 3.91Å; Y224-W233 HydrophobicContact CD2-CE3 3.91Å; Y224-W233 AromaticContact CD2-CZ3 3.8Å; Y224-W233 HydrophobicContact CD2-CZ3 3.8Å; Y224-W233 HydrophobicContact CE1-CB 4.09Å; Y224-W233 HydrophobicContact CE1-CD2 4.16Å; Y224-W233 AromaticContact CE1-CE3 3.39Å; Y224-W233 HydrophobicContact CE1-CE3 3.39Å; Y224-W233 HydrophobicContact CE1-CG 4.49Å; Y224-W233 HydrophobicContact CE1-CZ3 4.14Å; Y224-W233 AromaticContact CE2-CE3 3.74Å; Y224-W233 HydrophobicContact CE2-CE3 3.74Å; Y224-W233 AromaticContact CE2-CZ3 3.6Å; Y224-W233 HydrophobicContact CE2-CZ3 3.6Å; Y224-W233 AromaticContact CG-CE3 3.82Å; Y224-W233 HydrophobicContact CG-CE3 3.82Å; Y224-W233 HydrophobicContact CG-CZ3 4.15Å; Y224-W233 AromaticContact CZ-CE3 3.46Å; Y224-W233 VanDerWaalsContact CZ-CE3 3.46Å; Y224-W233 AromaticContact CZ-CZ3 3.76Å |
| 225 | R | 75.6 | Confident | 79.8 | Confident | 112 Ų | 112 | 72.8 Ų | 72.8 | 42% | 0.423 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 129.7 | 170.2 | -169.6 | 169.3 | -176.5 | 148.5 | 9.2 | 109.2 | F227 Q232 D234 | R225-F227 HydrophobicContact CB-CE2 4.05Å; R225-F227 HydrophobicContact CG-CD2 4.25Å; R225-F227 HydrophobicContact CG-CE2 3.67Å; R225-F227 HydrophobicContact CG-CZ 4.08Å; R225-Q232 PolarHBondContact N-O 3.45Å; R225-Q232 PolarHBondContact O-N 3.36Å; R225-D234 HydrophobicContact CB-CB 4.32Å |
| 226 | Y | 64.1 | Low | 79.2 | Confident | 154 Ų | 154 | 76.7 Ų | 76.7 | 60% | 0.604 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91 | 131 | -179.6 | -68.1 | -102.6 | 0 | 0 | 0 | 109.4 | R231 | Y226-R231 HydrophobicContact CD1-CB 4.5Å; Y226-R231 HydrophobicContact CD1-CG 4.3Å; Y226-R231 HydrophobicContact CE1-CB 4.35Å; Y226-R231 HydrophobicContact CE1-CG 3.94Å; Y226-R231 HydrophobicContact CE2-CG 4.3Å; Y226-R231 WeakPolarHBondContact OH-CD 3.4Å |
| 227 | F | 54.1 | Low | 78.9 | Confident | 70 Ų | 70 | 78 Ų | 78 | 31% | 0.307 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 90.4 | 176.2 | -75.8 | -82.4 | 0 | 0 | 0 | 107.7 | R225 R230 Q232 | R225-F227 HydrophobicContact CB-CE2 4.05Å; R225-F227 HydrophobicContact CG-CD2 4.25Å; R225-F227 HydrophobicContact CG-CE2 3.67Å; R225-F227 HydrophobicContact CG-CZ 4.08Å; F227-R230 PolarHBondContact N-O 2.98Å; F227-R230 PolarHBondContact O-N 3.45Å; F227-Q232 HydrophobicContact CD2-CB 4.02Å; F227-Q232 HydrophobicContact CE2-CB 4.29Å; F227-Q232 VanDerWaalsContact CE2-OE1 3.31Å |
| 228 | G | 62 | Low | 78.8 | Confident | 62 Ų | 62 | 73.8 Ų | 73.8 | 64% | 0.639 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | -131.4 | -163.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | R230 | G228-R230 PolarHBondContact O-N 3.12Š|
| 229 | P | 53.8 | Low | 78.8 | Confident | 138 Ų | 138 | 71.2 Ų | 71.2 | 90% | 0.896 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -7.1 | 178.8 | 31.7 | -35.9 | 0 | 0 | 0 | 114.2 | ||
| 230 | R | 56.4 | Low | 78.7 | Confident | 174 Ų | 174 | 75.6 Ų | 75.6 | 66% | 0.657 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 123.2 | -175.4 | -69.1 | -179.2 | 176.2 | 159.6 | 1.3 | 111.7 | F227 G228 | F227-R230 PolarHBondContact N-O 2.98Å; F227-R230 PolarHBondContact O-N 3.45Å; G228-R230 PolarHBondContact O-N 3.12Å |
| 231 | R | 76.1 | Confident | 78.8 | Confident | 140 Ų | 140 | 77 Ų | 77 | 53% | 0.528 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 107.4 | 176 | -161.2 | 176.5 | 84.3 | -176.6 | 2.5 | 110.8 | Y224 Y226 | Y224-R231 HydrophobicContact CD1-CG 3.58Å; Y224-R231 HydrophobicContact CE1-CG 4.45Å; Y224-R231 HydrophobicContact CG-CG 3.75Å; Y224-R231 VanDerWaalsContact CG-NE 3.31Å; Y224-R231 PolarHBondContact OH-NH2 2.87Å; Y226-R231 HydrophobicContact CD1-CB 4.5Å; Y226-R231 HydrophobicContact CD1-CG 4.3Å; Y226-R231 HydrophobicContact CE1-CB 4.35Å; Y226-R231 HydrophobicContact CE1-CG 3.94Å; Y226-R231 HydrophobicContact CE2-CG 4.3Å; Y226-R231 WeakPolarHBondContact OH-CD 3.4Å |
| 232 | Q | 77.1 | Confident | 78.8 | Confident | 96 Ų | 96 | 80.6 Ų | 80.6 | 45% | 0.449 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 142.5 | 175.9 | -169.1 | 174.5 | 58.9 | 0 | 0 | 110.7 | Y224 R225 F227 | Y224-Q232 CarbonylContact C-O 3.6Å; Y224-Q232 WeakPolarHBondContact CA-O 3.49Å; R225-Q232 PolarHBondContact N-O 3.45Å; R225-Q232 PolarHBondContact O-N 3.36Å; F227-Q232 HydrophobicContact CD2-CB 4.02Å; F227-Q232 HydrophobicContact CE2-CB 4.29Å; F227-Q232 VanDerWaalsContact CE2-OE1 3.31Å |
| 233 | W | 80.6 | Confident | 79.1 | Confident | 77 Ų | 77 | 82.6 Ų | 82.6 | 29% | 0.292 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 110.8 | 171 | -173.9 | -110.7 | 0 | 0 | 0 | 109 | K217 A222 Y224 C235 | K217-W233 HydrophobicContact CG-CH2 3.95Å; K217-W233 HydrophobicContact CG-CZ2 3.96Å; A222-W233 HydrophobicContact CB-CH2 4.27Å; A222-W233 HydrophobicContact CB-CZ2 3.62Å; Y224-W233 HydrophobicContact CD1-CB 4.33Å; Y224-W233 AromaticContact CD1-CE3 3.56Å; Y224-W233 HydrophobicContact CD1-CE3 3.56Å; Y224-W233 HydrophobicContact CD1-CZ3 4.31Å; Y224-W233 AromaticContact CD2-CE3 3.91Å; Y224-W233 HydrophobicContact CD2-CE3 3.91Å; Y224-W233 AromaticContact CD2-CZ3 3.8Å; Y224-W233 HydrophobicContact CD2-CZ3 3.8Å; Y224-W233 HydrophobicContact CE1-CB 4.09Å; Y224-W233 HydrophobicContact CE1-CD2 4.16Å; Y224-W233 AromaticContact CE1-CE3 3.39Å; Y224-W233 HydrophobicContact CE1-CE3 3.39Å; Y224-W233 HydrophobicContact CE1-CG 4.49Å; Y224-W233 HydrophobicContact CE1-CZ3 4.14Å; Y224-W233 AromaticContact CE2-CE3 3.74Å; Y224-W233 HydrophobicContact CE2-CE3 3.74Å; Y224-W233 AromaticContact CE2-CZ3 3.6Å; Y224-W233 HydrophobicContact CE2-CZ3 3.6Å; Y224-W233 AromaticContact CG-CE3 3.82Å; Y224-W233 HydrophobicContact CG-CE3 3.82Å; Y224-W233 HydrophobicContact CG-CZ3 4.15Å; Y224-W233 AromaticContact CZ-CE3 3.46Å; Y224-W233 VanDerWaalsContact CZ-CE3 3.46Å; Y224-W233 AromaticContact CZ-CZ3 3.76Å; W233-C235 PolarHBondContact NE1-SG 3.49Å |
| 234 | D | 82 | Confident | 79.5 | Confident | 10 Ų | 10 | 78.8 Ų | 78.8 | 5% | 0.053 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 142.2 | 176.9 | -154.6 | -27.4 | 0 | 0 | 0 | 109.8 | A222 H223 R225 R236 | A222-D234 WeakPolarHBondContact CA-O 3.43Å; A222-D234 VanDerWaalsContact CB-O 3.32Å; A222-D234 WeakPolarHBondContact CB-O 3.42Å; H223-D234 PolarHBondContact N-O 3.15Å; H223-D234 PolarHBondContact O-N 3.48Å; R225-D234 HydrophobicContact CB-CB 4.32Å; D234-R236 WeakPolarHBondContact OD1-CB 3.38Å; D234-R236 WeakPolarHBondContact OD1-CG 3.35Å; D234-R236 IonicContact OD1-CZ 3.29Å; D234-R236 PolarHBondContact OD1-N 2.92Å; D234-R236 IonicContact OD1-NE 3.8Å; D234-R236 PolarHBondContact OD1-NE 3.33Å; D234-R236 IonicContact OD1-NH2 2.71Å; D234-R236 IonicContact OD2-CZ 3.73Å; D234-R236 IonicContact OD2-NE 2.99Å; D234-R236 PolarHBondContact OD2-NE 3.44Å; D234-R236 VanDerWaalsContact OD2-NE 3.15Å; D234-R236 IonicContact OD2-NH2 3.4Å; D234-R236 PolarHBondContact OD2-NH2 3.5Å |
| 235 | C | 85.1 | Confident | 80.1 | Confident | 11 Ų | 11 | 75.8 Ų | 75.8 | 7% | 0.074 | 37% | 0.373 | C | S | . | . | trans | -138 | 16 | 178.2 | -66.7 | 0 | 0 | 0 | 0 | 111.3 | W212 C220 W233 G237 | W212-C235 HydrophobicContact CZ2-CB 4.26Å; C220-C235 HydrophobicContact CB-CB 4.43Å; C220-C235 WeakPolarHBondContact CB-O 3.36Å; W233-C235 PolarHBondContact NE1-SG 3.49Å; C235-G237 VanDerWaalsContact C-N 3.32Å; C235-G237 PolarHBondContact O-N 3.13Å | ||
| 236 | R | 81.7 | Confident | 81 | Confident | 83 Ų | 83 | 78 Ų | 78 | 31% | 0.313 | 38% | 0.381 | S | S | . | . | trans | -87.4 | -1.3 | -169.8 | -63.2 | 178.1 | -65 | -179.9 | 0.9 | 113.9 | R193 D234 | R193-R236 WeakPolarHBondContact CD-O 3.36Å; R193-R236 PolarHBondContact NE-O 2.9Å; D234-R236 WeakPolarHBondContact OD1-CB 3.38Å; D234-R236 WeakPolarHBondContact OD1-CG 3.35Å; D234-R236 IonicContact OD1-CZ 3.29Å; D234-R236 PolarHBondContact OD1-N 2.92Å; D234-R236 IonicContact OD1-NE 3.8Å; D234-R236 PolarHBondContact OD1-NE 3.33Å; D234-R236 IonicContact OD1-NH2 2.71Å; D234-R236 IonicContact OD2-CZ 3.73Å; D234-R236 IonicContact OD2-NE 2.99Å; D234-R236 PolarHBondContact OD2-NE 3.44Å; D234-R236 VanDerWaalsContact OD2-NE 3.15Å; D234-R236 IonicContact OD2-NH2 3.4Å; D234-R236 PolarHBondContact OD2-NH2 3.5Å | ||
| 237 | G | 87.1 | Confident | 82.5 | Confident | 27 Ų | 27 | 73.4 Ų | 73.4 | 28% | 0.278 | 36% | 0.363 | S | S | . | . | trans | -88.5 | -164.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | C220 C235 | C220-G237 CarbonylContact O-C 3.58Å; C220-G237 VanDerWaalsContact O-C 3.25Å; C220-G237 VanDerWaalsContact O-CA 3.31Å; C220-G237 WeakPolarHBondContact O-CA 3.27Å; C220-G237 PolarHBondContact O-N 3.23Å; C235-G237 VanDerWaalsContact C-N 3.32Å; C235-G237 PolarHBondContact O-N 3.13Å | ||
| 238 | A | 90.7 | Very high | 84.4 | Confident | 36 Ų | 36 | 70.2 Ų | 70.2 | 30% | 0.298 | 35% | 0.348 | S | S | . | . | trans | -151.6 | 138 | -177.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | P194 Y219 L241 V470 | P194-A238 HydrophobicContact CG-CB 4.12Å; Y219-A238 WeakPolarHBondContact O-CA 3.4Å; A238-L241 HydrophobicContact CB-CD1 4.22Å; A238-L241 HydrophobicContact CB-CD2 4.13Å; A238-V470 HydrophobicContact CB-CG1 3.83Å; A238-V470 HydrophobicContact CB-CG2 4.07Å | ||
| 239 | S | 92.9 | Very high | 85.9 | Confident | 26 Ų | 26 | 69.7 Ų | 69.7 | 18% | 0.182 | 34% | 0.335 | C | S | . | . | trans | -154.9 | 155.5 | 179.9 | 51.2 | 0 | 0 | 0 | 0 | 110.9 | K218 Y219 N221 L241 | K218-S239 VanDerWaalsContact C-OG 3.28Å; K218-S239 PolarHBondContact O-OG 3.2Å; Y219-S239 VanDerWaalsContact C-OG 3.23Å; Y219-S239 WeakPolarHBondContact CA-O 3.4Å; Y219-S239 VanDerWaalsContact CA-OG 3.3Å; Y219-S239 WeakPolarHBondContact CA-OG 3.29Å; Y219-S239 PolarHBondContact N-OG 3.36Å; Y219-S239 PolarHBondContact O-N 3.01Å; N221-S239 PolarHBondContact N-OG 3.22Å; N221-S239 VanDerWaalsContact N-OG 3.12Å; S239-L241 PolarHBondContact O-N 3.44Å; S239-L241 VanDerWaalsContact O-N 3.12Å | ||
| 240 | N | 92.8 | Very high | 87.8 | Confident | 93 Ų | 93 | 67.4 Ų | 67.4 | 50% | 0.497 | 31% | 0.313 | S | S | . | . | trans | 51.2 | 37.8 | 173.9 | -58.3 | -46.8 | 0 | 0 | 0 | 114.8 | K218 Y219 E242 E243 L244 | K218-N240 PolarHBondContact O-ND2 3.39Å; Y219-N240 HydrophobicContact CD1-CB 3.95Å; Y219-N240 HydrophobicContact CE1-CB 4.15Å; N240-E242 PolarHBondContact O-N 2.99Å; N240-E243 PolarHBondContact O-N 3Å; N240-L244 PolarHBondContact O-N 3.43Å; N240-L244 VanDerWaalsContact O-N 3.08Å | ||
| 241 | L | 93.6 | Very high | 89.6 | Confident | 28 Ų | 28 | 59.2 Ų | 59.2 | 15% | 0.147 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.4 | -32.4 | -168.9 | -60.6 | -174.2 | 0 | 0 | 0 | 113.9 | P194 A238 S239 L244 H245 V470 | P194-L241 HydrophobicContact CG-CD2 3.73Å; A238-L241 HydrophobicContact CB-CD1 4.22Å; A238-L241 HydrophobicContact CB-CD2 4.13Å; S239-L241 PolarHBondContact O-N 3.44Å; S239-L241 VanDerWaalsContact O-N 3.12Å; L241-L244 PolarHBondContact O-N 2.9Å; L241-H245 WeakPolarHBondContact O-CB 3.5Å; L241-H245 PolarHBondContact O-N 3.45Å; L241-V470 HydrophobicContact CD1-CG1 4.21Å |
| 242 | E | 92.8 | Very high | 90.5 | Very high | 156 Ų | 156 | 53 Ų | 53 | 73% | 0.729 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -67.5 | -39.8 | 177.5 | -68.8 | 160.2 | -155.6 | 0 | 0 | 111.7 | N240 H245 R246 | N240-E242 PolarHBondContact O-N 2.99Å; E242-H245 PolarHBondContact O-N 3.2Å; E242-R246 WeakPolarHBondContact O-CB 3.12Å; E242-R246 PolarHBondContact O-N 3.14Å |
| 243 | E | 94.1 | Very high | 91.4 | Very high | 55 Ų | 55 | 49.6 Ų | 49.6 | 26% | 0.257 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66.9 | -41.5 | 172.2 | -167 | -152.2 | 119.9 | 0 | 0 | 111.1 | K218 Y219 N240 R246 R247 | K218-E243 WeakPolarHBondContact CE-OE1 3.45Å; K218-E243 WeakPolarHBondContact CE-OE2 3.38Å; K218-E243 IonicContact NZ-OE1 2.88Å; K218-E243 PolarHBondContact NZ-OE1 3.44Å; K218-E243 IonicContact NZ-OE2 3.15Å; K218-E243 PolarHBondContact NZ-OE2 2.97Å; Y219-E243 PolarHBondContact OH-OE1 2.92Å; N240-E243 PolarHBondContact O-N 3Å; E243-R246 PolarHBondContact O-N 2.89Å; E243-R247 WeakPolarHBondContact O-CB 3.38Å; E243-R247 VanDerWaalsContact O-CG 3.28Å; E243-R247 WeakPolarHBondContact O-CG 3.33Å; E243-R247 PolarHBondContact O-N 2.86Å; E243-R247 WeakPolarHBondContact OE1-CD 3.5Å; E243-R247 IonicContact OE1-NH1 3.73Å |
| 244 | L | 94.6 | Very high | 92 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.7 | -47.4 | 175.6 | 179.8 | 54.9 | 0 | 0 | 0 | 110.9 | P194 L197 F209 Y215 Y219 N240 L241 R247 L248 T474 | P194-L244 HydrophobicContact CB-CD2 3.96Å; L197-L244 HydrophobicContact CD1-CD2 4.47Å; F209-L244 HydrophobicContact CD1-CD1 4.33Å; F209-L244 HydrophobicContact CE1-CD1 3.92Å; Y215-L244 HydrophobicContact CE2-CD1 3.96Å; Y219-L244 HydrophobicContact CD1-CB 3.72Å; Y219-L244 HydrophobicContact CD1-CD1 4.48Å; Y219-L244 HydrophobicContact CD1-CD2 4.35Å; Y219-L244 HydrophobicContact CD1-CG 4.39Å; Y219-L244 HydrophobicContact CD2-CD1 4.43Å; Y219-L244 HydrophobicContact CE1-CB 3.9Å; Y219-L244 HydrophobicContact CG-CB 4.34Å; Y219-L244 HydrophobicContact CG-CD1 4.38Å; Y219-L244 HydrophobicContact CG-CD2 4.2Å; N240-L244 PolarHBondContact O-N 3.43Å; N240-L244 VanDerWaalsContact O-N 3.08Å; L241-L244 PolarHBondContact O-N 2.9Å; L244-R247 PolarHBondContact O-N 2.98Å; L244-L248 HydrophobicContact CD1-CD1 4.07Å; L244-L248 HydrophobicContact CD1-CG 4.1Å; L244-L248 HydrophobicContact CG-CD1 3.88Å; L244-L248 HydrophobicContact CG-CG 4.39Å; L244-L248 WeakPolarHBondContact O-CB 3.49Å; L244-L248 VanDerWaalsContact O-CG 3.26Å; L244-L248 WeakPolarHBondContact O-CG 3.26Å; L244-L248 PolarHBondContact O-N 3.18Å; L244-T474 HydrophobicContact CD2-CG2 3.6Å; L244-T474 HydrophobicContact CG-CG2 4Å |
| 245 | H | 95.1 | Very high | 92.5 | Very high | 44 Ų | 44 | 49.1 Ų | 49.1 | 20% | 0.204 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -56.7 | -54.3 | 175.6 | 177.5 | 62.3 | 0 | 0 | 0 | 111.5 | L241 E242 R247 L248 S249 T474 L475 G477 | L241-H245 WeakPolarHBondContact O-CB 3.5Å; L241-H245 PolarHBondContact O-N 3.45Å; E242-H245 PolarHBondContact O-N 3.2Å; H245-R247 PolarHBondContact O-N 3.02Å; H245-R247 VanDerWaalsContact O-N 3.16Å; H245-L248 WeakPolarHBondContact O-CB 3.48Å; H245-L248 PolarHBondContact O-N 3.07Å; H245-S249 PolarHBondContact O-N 3.35Å; H245-S249 PolarHBondContact O-OG 2.72Å; H245-S249 VanDerWaalsContact O-OG 3.11Å; H245-T474 WeakPolarHBondContact CA-O 3.34Å; H245-T474 WeakPolarHBondContact CB-O 3.26Å; H245-T474 PolarHBondContact ND1-O 3.32Å; H245-L475 PolarHBondContact CE1-O 2.91Å; H245-L475 VanDerWaalsContact CE1-O 3.26Å; H245-L475 PolarHBondContact ND1-O 3.07Å; H245-G477 VanDerWaalsContact CD2-CA 3.41Å; H245-G477 WeakPolarHBondContact CD2-CA 3.33Å; H245-G477 PolarHBondContact CE1-N 3.24Å; H245-G477 PolarHBondContact ND1-N 3.45Å |
| 246 | R | 94.9 | Very high | 92.7 | Very high | 158 Ų | 158 | 49.5 Ų | 49.5 | 60% | 0.596 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -55.7 | -35.5 | 178.5 | -171.5 | -175.2 | 67.5 | 86.6 | -1.6 | 112.8 | E242 E243 | E242-R246 WeakPolarHBondContact O-CB 3.12Å; E242-R246 PolarHBondContact O-N 3.14Å; E243-R246 PolarHBondContact O-N 2.89Å |
| 247 | R | 94.8 | Very high | 93 | Very high | 58 Ų | 58 | 45.8 Ų | 45.8 | 22% | 0.219 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -76.8 | -34.5 | 176 | -69.8 | -180 | 67.5 | 162.6 | 9.9 | 113 | R208 F209 Y219 E243 L244 H245 Q250 | R208-R247 PolarHBondContact O-NH2 2.86Å; F209-R247 HydrophobicContact CE1-CB 3.59Å; F209-R247 HydrophobicContact CE1-CG 4.5Å; F209-R247 HydrophobicContact CZ-CB 3.59Å; Y219-R247 WeakPolarHBondContact OH-CD 3.4Å; Y219-R247 PolarHBondContact OH-NH1 3.04Å; E243-R247 WeakPolarHBondContact O-CB 3.38Å; E243-R247 VanDerWaalsContact O-CG 3.28Å; E243-R247 WeakPolarHBondContact O-CG 3.33Å; E243-R247 PolarHBondContact O-N 2.86Å; E243-R247 WeakPolarHBondContact OE1-CD 3.5Å; E243-R247 IonicContact OE1-NH1 3.73Å; L244-R247 PolarHBondContact O-N 2.98Å; H245-R247 PolarHBondContact O-N 3.02Å; H245-R247 VanDerWaalsContact O-N 3.16Å; R247-Q250 PolarHBondContact O-N 3.35Å |
| 248 | L | 94.1 | Very high | 92.8 | Very high | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.2 | -42.8 | 174.9 | -74.6 | 166.3 | 0 | 0 | 0 | 111.1 | L197 I201 L244 H245 Q250 I251 M252 T474 | L197-L248 HydrophobicContact CD1-CD1 3.89Å; I201-L248 HydrophobicContact CD1-CD2 3.89Å; I201-L248 HydrophobicContact CG1-CD2 4.11Å; L244-L248 HydrophobicContact CD1-CD1 4.07Å; L244-L248 HydrophobicContact CD1-CG 4.1Å; L244-L248 HydrophobicContact CG-CD1 3.88Å; L244-L248 HydrophobicContact CG-CG 4.39Å; L244-L248 WeakPolarHBondContact O-CB 3.49Å; L244-L248 VanDerWaalsContact O-CG 3.26Å; L244-L248 WeakPolarHBondContact O-CG 3.26Å; L244-L248 PolarHBondContact O-N 3.18Å; H245-L248 WeakPolarHBondContact O-CB 3.48Å; H245-L248 PolarHBondContact O-N 3.07Å; L248-Q250 PolarHBondContact O-N 2.83Å; L248-I251 CarbonylContact O-C 3.6Å; L248-I251 WeakPolarHBondContact O-CG1 3.12Å; L248-I251 PolarHBondContact O-N 2.88Å; L248-M252 HydrophobicContact CB-CE 4.24Å; L248-M252 VanDerWaalsContact O-CB 3.3Å; L248-M252 WeakPolarHBondContact O-CB 3.43Å; L248-M252 PolarHBondContact O-N 2.89Å; L248-T474 HydrophobicContact CD1-CG2 4Å |
| 249 | S | 93.4 | Very high | 92.5 | Very high | 51 Ų | 51 | 52 Ų | 52 | 36% | 0.357 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -12.4 | 179.6 | -52 | 0 | 0 | 0 | 0 | 114.4 | H245 | H245-S249 PolarHBondContact O-N 3.35Å; H245-S249 PolarHBondContact O-OG 2.72Å; H245-S249 VanDerWaalsContact O-OG 3.11Å |
| 250 | Q | 93.8 | Very high | 92 | Very high | 91 Ų | 91 | 52.6 Ų | 52.6 | 43% | 0.425 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -17.8 | 170.5 | -60.9 | -172.3 | -18.2 | 0 | 0 | 114.3 | K50 R247 L248 | K50-Q250 WeakPolarHBondContact CE-O 3.39Å; R247-Q250 PolarHBondContact O-N 3.35Å; L248-Q250 PolarHBondContact O-N 2.83Å |
| 251 | I | 94.5 | Very high | 91.4 | Very high | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -128.7 | -12.4 | -173.9 | 62.8 | 168.9 | 0 | 0 | 0 | 113.2 | M55 I201 Y205 R208 F209 L248 | M55-I251 PolarHBondContact N-O 2.92Å; I201-I251 HydrophobicContact CG1-CD1 4.36Å; I201-I251 HydrophobicContact CG2-CD1 4.29Å; Y205-I251 HydrophobicContact CD2-CB 4.25Å; Y205-I251 HydrophobicContact CD2-CG2 3.68Å; Y205-I251 HydrophobicContact CE2-CB 3.89Å; Y205-I251 HydrophobicContact CE2-CG2 3.4Å; R208-I251 VanDerWaalsContact CZ-CG2 3.42Å; F209-I251 HydrophobicContact CE2-CD1 4.15Å; F209-I251 HydrophobicContact CZ-CD1 4.45Å; L248-I251 CarbonylContact O-C 3.6Å; L248-I251 WeakPolarHBondContact O-CG1 3.12Å; L248-I251 PolarHBondContact O-N 2.88Å |
| 252 | M | 95.5 | Very high | 90.3 | Very high | 8 Ų | 8 | 54 Ų | 54 | 4% | 0.039 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 126.2 | -174.4 | -177.7 | -172.8 | 76.5 | 0 | 0 | 109.7 | M55 A57 P189 L248 R254 L475 | M55-M252 HydrophobicContact CB-CB 4.13Å; M55-M252 HydrophobicContact CB-CG 4.1Å; M55-M252 HydrophobicContact CG-CG 4.11Å; M55-M252 VanDerWaalsContact O-CA 3.27Å; M55-M252 WeakPolarHBondContact O-CA 3.38Å; M55-M252 HydrophobicContact SD-CG 3.97Å; M55-M252 HydrophobicContact SD-SD 3.93Å; A57-M252 HydrophobicContact CB-CG 3.42Å; A57-M252 VanDerWaalsContact CB-CG 3.42Å; A57-M252 HydrophobicContact CB-SD 3.55Å; A57-M252 VanDerWaalsContact CB-SD 3.55Å; P189-M252 HydrophobicContact CG-SD 3.96Å; L248-M252 HydrophobicContact CB-CE 4.24Å; L248-M252 VanDerWaalsContact O-CB 3.3Å; L248-M252 WeakPolarHBondContact O-CB 3.43Å; L248-M252 PolarHBondContact O-N 2.89Å; M252-R254 HydrophobicContact CE-CB 4.18Å; M252-L475 HydrophobicContact SD-CD2 4.49Å |
| 253 | I | 95.3 | Very high | 89.4 | Confident | 25 Ų | 25 | 55.6 Ų | 55.6 | 13% | 0.128 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 138.4 | 164.9 | -170.5 | 169.6 | 0 | 0 | 0 | 109.4 | F46 M55 I56 A57 | F46-I253 HydrophobicContact CB-CD1 4.04Å; F46-I253 HydrophobicContact CD1-CB 3.75Å; F46-I253 HydrophobicContact CD1-CG2 3.78Å; F46-I253 HydrophobicContact CD2-CB 4.43Å; F46-I253 HydrophobicContact CE1-CB 3.94Å; F46-I253 HydrophobicContact CE1-CG2 4.19Å; F46-I253 HydrophobicContact CG-CB 4.01Å; F46-I253 HydrophobicContact CG-CD1 4.27Å; F46-I253 HydrophobicContact CG-CG2 4.33Å; F46-I253 HydrophobicContact CZ-CB 4.36Å; M55-I253 PolarHBondContact O-N 3.14Å; I56-I253 HydrophobicContact CB-CG2 4.46Å; I56-I253 HydrophobicContact CG1-CG2 4.37Å; I56-I253 HydrophobicContact CG2-CG2 4.25Å; A57-I253 CarbonylContact C-O 3.58Å; A57-I253 WeakPolarHBondContact CA-O 3.32Å; A57-I253 PolarHBondContact N-O 3.42Å |
| 254 | R | 93.9 | Very high | 88.8 | Confident | 53 Ų | 53 | 54.5 Ų | 54.5 | 20% | 0.2 | 28% | 0.282 | C | S | . | . | trans | -153.9 | 117.1 | -177.2 | 175.1 | 163.5 | 177.2 | 88.5 | -2.5 | 111.4 | A57 G187 M252 N476 | A57-R254 HydrophobicContact CB-CB 4.09Å; A57-R254 HydrophobicContact CB-CG 4.49Å; A57-R254 VanDerWaalsContact O-CG 3.31Å; A57-R254 WeakPolarHBondContact O-CG 3.41Å; A57-R254 PolarHBondContact O-NH1 3.19Å; G187-R254 PolarHBondContact O-NH1 2.86Å; M252-R254 HydrophobicContact CE-CB 4.18Å; R254-N476 PolarHBondContact NE-OD1 2.76Å; R254-N476 PolarHBondContact NH2-OD1 3.38Å | ||
| 255 | R | 92.5 | Very high | 88.2 | Confident | 24 Ų | 24 | 55.6 Ų | 55.6 | 9% | 0.091 | 29% | 0.29 | C | S | . | . | trans | -123.3 | 157.2 | 170.9 | -65.6 | 151.2 | -64.1 | -166.1 | 10.5 | 111.3 | F39 E42 D58 E59 L62 V260 | F39-R255 PolarHBondContact O-NH1 2.91Å; F39-R255 PolarHBondContact O-NH2 2.8Å; E42-R255 IonicContact OE2-CZ 3.15Å; E42-R255 IonicContact OE2-NH1 3.05Å; E42-R255 PolarHBondContact OE2-NH1 2.91Å; D58-R255 IonicContact OD1-CZ 3.59Å; D58-R255 PolarHBondContact OD1-N 3.19Å; D58-R255 IonicContact OD1-NE 2.77Å; D58-R255 PolarHBondContact OD1-NE 2.97Å; D58-R255 IonicContact OD1-NH2 3.04Å; D58-R255 PolarHBondContact OD1-NH2 2.87Å; D58-R255 IonicContact OD2-CZ 3.77Å; D58-R255 IonicContact OD2-NE 2.7Å; D58-R255 IonicContact OD2-NH2 3.61Å; D58-R255 PolarHBondContact OD2-NH2 3.46Å; E59-R255 PolarHBondContact N-O 2.99Å; L62-R255 WeakPolarHBondContact CD1-O 3.46Å; R255-V260 HydrophobicContact CB-CG1 4.03Å; R255-V260 HydrophobicContact CG-CG1 4.39Å | ||
| 256 | L | 89.3 | Confident | 87.7 | Confident | 20 Ų | 20 | 57.4 Ų | 57.4 | 11% | 0.105 | 31% | 0.305 | C | S | . | . | trans | -107.6 | 157.8 | -179.6 | -53.8 | 179.3 | 0 | 0 | 0 | 112.1 | E59 A258 E259 V260 | E59-L256 HydrophobicContact CB-CD2 4.28Å; E59-L256 VanDerWaalsContact OE2-CA 3.31Å; E59-L256 WeakPolarHBondContact OE2-CA 3.19Å; E59-L256 WeakPolarHBondContact OE2-CB 3.06Å; L256-A258 VanDerWaalsContact C-N 3.27Å; L256-A258 PolarHBondContact O-N 3.16Å; L256-E259 HydrophobicContact CB-CG 4.3Å; L256-E259 WeakPolarHBondContact CB-OE2 3.37Å; L256-E259 WeakPolarHBondContact CG-OE2 3.45Å; L256-E259 PolarHBondContact N-OE2 2.89Å; L256-E259 WeakPolarHBondContact O-CB 3.35Å; L256-E259 PolarHBondContact O-N 3.01Å; L256-V260 PolarHBondContact O-N 3.28Å | ||
| 257 | K | 86.7 | Confident | 87.5 | Confident | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.017 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56.2 | -41.6 | 178.9 | -68.1 | 169.7 | -171.8 | 175.9 | 0 | 112.4 | E59 M60 L62 E259 V260 L261 L264 D434 H437 | E59-K257 HydrophobicContact CB-CG 4.44Å; E59-K257 HydrophobicContact CG-CD 4.44Å; E59-K257 HydrophobicContact CG-CG 4.28Å; E59-K257 WeakPolarHBondContact OE1-CD 3.28Å; E59-K257 WeakPolarHBondContact OE1-CE 3.15Å; E59-K257 IonicContact OE1-NZ 3.41Å; E59-K257 PolarHBondContact OE2-N 3.16Å; M60-K257 WeakPolarHBondContact O-CE 3.47Å; M60-K257 PolarHBondContact O-NZ 3.31Å; M60-K257 VanDerWaalsContact O-NZ 3.14Å; L62-K257 HydrophobicContact CD2-CG 4.08Å; L62-K257 HydrophobicContact CG-CG 4.45Å; K257-E259 PolarHBondContact O-N 3.16Å; K257-V260 PolarHBondContact O-N 3.49Å; K257-L261 CarbonylContact O-C 3.25Å; K257-L261 WeakPolarHBondContact O-CA 3.4Å; K257-L261 PolarHBondContact O-N 2.66Å; K257-L264 HydrophobicContact CD-CD2 4Å; K257-D434 IonicContact NZ-OD1 3.94Å; K257-D434 PolarHBondContact NZ-OD1 3.18Å; K257-D434 IonicContact NZ-OD2 3.35Å; K257-H437 VanDerWaalsContact CD-CE1 3.42Å; K257-H437 WeakPolarHBondContact CD-CE1 3.4Å; K257-H437 WeakPolarHBondContact CD-NE2 3.5Å; K257-H437 PolarHBondContact NZ-CE1 2.96Å; K257-H437 PolarHBondContact NZ-ND1 3.49Å; K257-H437 PolarHBondContact NZ-O 3.48Å |
| 258 | A | 82.9 | Confident | 87.3 | Confident | 94 Ų | 94 | 52.1 Ų | 52.1 | 78% | 0.777 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -65.3 | -16.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L256 | L256-A258 VanDerWaalsContact C-N 3.27Å; L256-A258 PolarHBondContact O-N 3.16Å |
| 259 | E | 84.3 | Confident | 87.2 | Confident | 100 Ų | 100 | 54.2 Ų | 54.2 | 47% | 0.467 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -96.7 | -27.3 | -179.3 | -64.4 | 155.8 | -179.1 | 0 | 0 | 111.7 | L256 K257 R478 | L256-E259 HydrophobicContact CB-CG 4.3Å; L256-E259 WeakPolarHBondContact CB-OE2 3.37Å; L256-E259 WeakPolarHBondContact CG-OE2 3.45Å; L256-E259 PolarHBondContact N-OE2 2.89Å; L256-E259 WeakPolarHBondContact O-CB 3.35Å; L256-E259 PolarHBondContact O-N 3.01Å; K257-E259 PolarHBondContact O-N 3.16Å; E259-R478 IonicContact OE1-CZ 2.69Å; E259-R478 IonicContact OE1-NH1 3.64Å; E259-R478 PolarHBondContact OE1-NH1 3.45Å; E259-R478 IonicContact OE1-NH2 3.21Å |
| 260 | V | 83.9 | Confident | 87.2 | Confident | 39 Ų | 39 | 54.5 Ų | 54.5 | 24% | 0.236 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -128.2 | -5.4 | -173.7 | -56.1 | 0 | 0 | 0 | 0 | 116.5 | F39 L62 R255 L256 K257 | F39-V260 HydrophobicContact CB-CB 4.3Å; F39-V260 HydrophobicContact CB-CG1 3.94Å; F39-V260 HydrophobicContact CD1-CB 3.67Å; F39-V260 HydrophobicContact CD1-CG1 4.26Å; F39-V260 HydrophobicContact CD1-CG2 3.95Å; F39-V260 HydrophobicContact CD2-CB 4.42Å; F39-V260 HydrophobicContact CD2-CG1 4.5Å; F39-V260 HydrophobicContact CD2-CG2 4.13Å; F39-V260 HydrophobicContact CE1-CB 4.03Å; F39-V260 HydrophobicContact CE1-CG2 3.87Å; F39-V260 HydrophobicContact CE2-CG2 4.09Å; F39-V260 HydrophobicContact CG-CB 3.87Å; F39-V260 HydrophobicContact CG-CG1 3.99Å; F39-V260 HydrophobicContact CG-CG2 4.07Å; F39-V260 HydrophobicContact CZ-CG2 3.94Å; L62-V260 HydrophobicContact CD1-CG2 3.79Å; L62-V260 HydrophobicContact CD2-CG2 3.68Å; L62-V260 HydrophobicContact CG-CG2 4.38Å; R255-V260 HydrophobicContact CB-CG1 4.03Å; R255-V260 HydrophobicContact CG-CG1 4.39Å; L256-V260 PolarHBondContact O-N 3.28Å; K257-V260 PolarHBondContact O-N 3.49Å |
| 261 | L | 78.9 | Confident | 87.1 | Confident | 32 Ų | 32 | 52.9 Ų | 52.9 | 17% | 0.168 | 28% | 0.284 | C | S | . | . | trans | -134.5 | 63.2 | 177.5 | -68.4 | 179.6 | 0 | 0 | 0 | 110.7 | M37 F39 L62 K257 Q263 L264 I439 | M37-L261 HydrophobicContact SD-CD2 4.43Å; F39-L261 HydrophobicContact CE1-CD2 4.44Å; L62-L261 HydrophobicContact CD2-CD1 3.44Å; L62-L261 VanDerWaalsContact CD2-CD1 3.44Å; L62-L261 HydrophobicContact CD2-CG 3.87Å; K257-L261 CarbonylContact O-C 3.25Å; K257-L261 WeakPolarHBondContact O-CA 3.4Å; K257-L261 PolarHBondContact O-N 2.66Å; L261-Q263 PolarHBondContact O-N 2.9Å; L261-Q263 VanDerWaalsContact O-N 3.09Å; L261-L264 HydrophobicContact CB-CB 4.32Å; L261-L264 WeakPolarHBondContact O-CB 3.39Å; L261-L264 PolarHBondContact O-N 3.18Å; L261-I439 HydrophobicContact CD1-CD1 4.01Å; L261-I439 HydrophobicContact CD1-CG1 3.81Å | ||
| 262 | S | 71.6 | Confident | 87 | Confident | 119 Ų | 119 | 52.8 Ų | 52.8 | 83% | 0.832 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -18.4 | 177.3 | 52.8 | 0 | 0 | 0 | 0 | 114.8 | L264 | S262-L264 VanDerWaalsContact C-N 3.35Š|
| 263 | Q | 74.3 | Confident | 86.7 | Confident | 189 Ų | 189 | 53.6 Ų | 53.6 | 88% | 0.883 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -11.4 | 176.2 | -60.8 | 179.7 | 2.3 | 0 | 0 | 113.9 | L261 | L261-Q263 PolarHBondContact O-N 2.9Å; L261-Q263 VanDerWaalsContact O-N 3.09Å |
| 264 | L | 79.6 | Confident | 86.4 | Confident | 31 Ų | 31 | 52.6 Ų | 52.6 | 16% | 0.162 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -82.1 | 126.3 | -177.7 | -169.5 | 68.7 | 0 | 0 | 0 | 110.2 | K257 L261 S262 Q441 | K257-L264 HydrophobicContact CD-CD2 4Å; L261-L264 HydrophobicContact CB-CB 4.32Å; L261-L264 WeakPolarHBondContact O-CB 3.39Å; L261-L264 PolarHBondContact O-N 3.18Å; S262-L264 VanDerWaalsContact C-N 3.35Å; L264-Q441 HydrophobicContact CD1-CB 4.26Å |
| 265 | P | 82.6 | Confident | 86.1 | Confident | 24 Ų | 24 | 53.8 Ų | 53.8 | 16% | 0.156 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 147.3 | -179.5 | -27.4 | 35.3 | 0 | 0 | 0 | 113.5 | T442 S443 | P265-T442 WeakPolarHBondContact CG-O 3.43Å; P265-S443 WeakPolarHBondContact CB-O 3.27Å |
| 266 | P | 85.3 | Confident | 85.6 | Confident | 82 Ų | 82 | 53.7 Ų | 53.7 | 53% | 0.532 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 147.4 | -174.2 | 26.6 | -35.2 | 0 | 0 | 0 | 113 | S444 V445 | P266-S444 WeakPolarHBondContact O-CA 3.41Å; P266-V445 PolarHBondContact O-N 3.41Å; P266-V445 VanDerWaalsContact O-N 3.07Å |
| 267 | K | 89.4 | Confident | 85.1 | Confident | 33 Ų | 33 | 54.1 Ų | 54.1 | 14% | 0.143 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 104.1 | 169.6 | 177 | 163.6 | 52.4 | 172 | 0 | 110 | E433 D434 H437 V445 V447 | K267-E433 HydrophobicContact CD-CB 4Å; K267-E433 HydrophobicContact CD-CG 4.47Å; K267-E433 WeakPolarHBondContact CE-OE2 3.16Å; K267-E433 IonicContact NZ-OE2 2.75Å; K267-E433 PolarHBondContact NZ-OE2 3.25Å; K267-D434 IonicContact NZ-OD1 2.8Å; K267-D434 PolarHBondContact NZ-OD1 2.89Å; K267-D434 IonicContact NZ-OD2 3.58Å; K267-H437 HydrophobicContact CD-CB 4.25Å; K267-H437 VanDerWaalsContact CE-CE1 3.48Å; K267-H437 WeakPolarHBondContact CE-CE1 3.17Å; K267-H437 PolarHBondContact NZ-CE1 3.28Å; K267-V445 CarbonylContact C-O 3.57Å; K267-V445 WeakPolarHBondContact CA-O 3.28Å; K267-V447 HydrophobicContact CD-CG2 3.89Å; K267-V447 HydrophobicContact CG-CG2 3.81Å |
| 268 | I | 90.4 | Very high | 84.6 | Confident | 71 Ų | 71 | 62.7 Ų | 62.7 | 36% | 0.364 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 135.6 | 177.7 | -58.7 | 174.7 | 0 | 0 | 0 | 108.2 | Q270 V445 V447 | I268-Q270 HydrophobicContact CG2-CG 4.5Å; I268-V445 PolarHBondContact N-O 2.88Å; I268-V447 PolarHBondContact O-N 3.44Å |
| 269 | R | 93.2 | Very high | 84.1 | Confident | 47 Ų | 47 | 64.4 Ų | 64.4 | 18% | 0.177 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 129.2 | 179.5 | -72.5 | -171.6 | -177.4 | 95.1 | -2.9 | 110.1 | E433 V447 Y449 K483 A484 D485 | R269-E433 IonicContact CZ-OE2 3.88Å; R269-E433 IonicContact NE-OE1 2.73Å; R269-E433 IonicContact NE-OE2 3.58Å; R269-E433 PolarHBondContact NE-OE2 3.38Å; R269-E433 IonicContact NH2-OE1 3.32Å; R269-E433 IonicContact NH2-OE2 2.73Å; R269-E433 PolarHBondContact NH2-OE2 3.18Å; R269-V447 CarbonylContact C-O 3.49Å; R269-V447 WeakPolarHBondContact CA-O 3.37Å; R269-V447 HydrophobicContact CG-CB 4.14Å; R269-Y449 HydrophobicContact CB-CE2 4.13Å; R269-Y449 VanDerWaalsContact CD-OH 3.29Å; R269-Y449 WeakPolarHBondContact CD-OH 3.36Å; R269-Y449 HydrophobicContact CG-CE2 4.14Å; R269-Y449 PolarHBondContact NE-OH 3.39Å; R269-K483 WeakPolarHBondContact CB-O 3.33Å; R269-K483 WeakPolarHBondContact CD-O 3.37Å; R269-A484 HydrophobicContact CB-CB 3.71Å; R269-A484 CarbonylContact O-C 3.59Å; R269-A484 VanDerWaalsContact O-CA 3.29Å; R269-A484 WeakPolarHBondContact O-CA 3.35Å; R269-D485 PolarHBondContact O-N 3.41Å |
| 270 | Q | 92.8 | Very high | 83.5 | Confident | 56 Ų | 56 | 60.3 Ų | 60.3 | 26% | 0.262 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 140.6 | 175.1 | -66.2 | -170.6 | -28.2 | 0 | 0 | 111.1 | I268 V447 H448 Y449 D485 | I268-Q270 HydrophobicContact CG2-CG 4.5Å; Q270-V447 PolarHBondContact N-O 2.92Å; Q270-H448 CarbonylContact O-C 3.51Å; Q270-H448 WeakPolarHBondContact O-CA 3.39Å; Q270-Y449 WeakPolarHBondContact O-CD2 3.39Å; Q270-Y449 PolarHBondContact O-N 3.02Å; Q270-D485 CarbonylContact C-O 3.52Å; Q270-D485 WeakPolarHBondContact CA-O 3.29Å |
| 271 | R | 92.6 | Very high | 83.1 | Confident | 58 Ų | 58 | 59.5 Ų | 59.5 | 22% | 0.219 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 131.8 | 164.6 | -66.1 | -178.5 | -76.8 | 134.7 | -2 | 107.3 | P273 I451 W461 A484 D485 E486 G487 | R271-P273 WeakPolarHBondContact O-CD 3.44Å; R271-I451 HydrophobicContact CB-CD1 4.09Å; R271-I451 HydrophobicContact CG-CD1 3.88Å; R271-W461 HydrophobicContact CG-CH2 4.21Å; R271-W461 HydrophobicContact CG-CZ2 3.98Å; R271-A484 HydrophobicContact CG-CB 3.84Å; R271-A484 PolarHBondContact NE-O 2.95Å; R271-D485 PolarHBondContact N-O 3.01Å; R271-E486 VanDerWaalsContact CZ-CG 3.46Å; R271-E486 IonicContact CZ-OE1 3.15Å; R271-E486 IonicContact NH1-OE1 2.7Å; R271-E486 PolarHBondContact NH1-OE1 3.42Å; R271-E486 IonicContact NH2-OE1 2.85Å; R271-E486 PolarHBondContact NH2-OE1 2.92Å; R271-G487 PolarHBondContact O-N 3.1Å |
| 272 | I | 91.1 | Very high | 83 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 93.5 | 172.5 | -63.3 | -177 | 0 | 0 | 0 | 107 | Y334 H448 Y449 L450 I451 W492 L495 | I272-Y334 HydrophobicContact CD1-CE2 3.67Å; I272-H448 HydrophobicContact CD1-CB 3.87Å; I272-H448 HydrophobicContact CG1-CB 4.44Å; I272-Y449 PolarHBondContact N-O 3.09Å; I272-L450 HydrophobicContact CB-CD2 3.84Å; I272-L450 HydrophobicContact CD1-CD2 3.87Å; I272-L450 HydrophobicContact CG1-CD2 4.31Å; I272-L450 HydrophobicContact CG2-CD2 4.06Å; I272-I451 PolarHBondContact O-N 3.01Å; I272-W492 HydrophobicContact CD1-CD2 3.97Å; I272-W492 HydrophobicContact CD1-CE3 4.27Å; I272-W492 HydrophobicContact CD1-CH2 3.89Å; I272-W492 HydrophobicContact CD1-CZ2 3.56Å; I272-W492 HydrophobicContact CD1-CZ3 4.24Å; I272-W492 HydrophobicContact CG1-CD2 4.33Å; I272-W492 HydrophobicContact CG1-CZ2 4.27Å; I272-W492 HydrophobicContact CG2-CB 3.96Å; I272-W492 HydrophobicContact CG2-CD2 3.93Å; I272-W492 HydrophobicContact CG2-CE3 4.49Å; I272-W492 HydrophobicContact CG2-CG 3.65Å; I272-L495 HydrophobicContact CG2-CD1 3.68Å |
| 273 | P | 90.1 | Very high | 83 | Confident | 24 Ų | 24 | 65.3 Ų | 65.3 | 16% | 0.156 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 108.4 | -178 | 34.7 | -33.8 | 0 | 0 | 0 | 111.2 | R271 I451 K453 | R271-P273 WeakPolarHBondContact O-CD 3.44Å; P273-I451 WeakPolarHBondContact CA-O 3.47Å; P273-K453 VanDerWaalsContact C-CE 3.49Å; P273-K453 HydrophobicContact CB-CG 4.4Å; P273-K453 WeakPolarHBondContact O-CE 3.45Å |
| 274 | F | 89 | Confident | 83 | Confident | 4 Ų | 4 | 56.8 Ų | 56.8 | 2% | 0.018 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 151.5 | 177.3 | 64.2 | -80.2 | 0 | 0 | 0 | 111.2 | L276 K327 A330 L450 I451 A452 K453 L495 | F274-L276 HydrophobicContact CE2-CD2 3.97Å; F274-K327 HydrophobicContact CZ-CB 4.42Å; F274-K327 HydrophobicContact CZ-CD 4.49Å; F274-K327 HydrophobicContact CZ-CG 3.97Å; F274-A330 HydrophobicContact CD2-CB 3.89Å; F274-A330 HydrophobicContact CE2-CB 3.36Å; F274-A330 HydrophobicContact CZ-CB 3.87Å; F274-L450 HydrophobicContact CE1-CB 4.13Å; F274-I451 WeakPolarHBondContact CD1-O 3.2Å; F274-I451 PolarHBondContact N-O 3.23Å; F274-A452 HydrophobicContact CE1-CB 4.49Å; F274-A452 HydrophobicContact CE2-CB 4.16Å; F274-A452 HydrophobicContact CZ-CB 4.02Å; F274-A452 WeakPolarHBondContact O-CA 3.49Å; F274-K453 PolarHBondContact O-N 2.94Å; F274-L495 HydrophobicContact CB-CB 3.85Å; F274-L495 HydrophobicContact CB-CD1 4.41Å; F274-L495 HydrophobicContact CD1-CD1 4.41Å; F274-L495 HydrophobicContact CD2-CB 4.31Å; F274-L495 HydrophobicContact CG-CB 4.08Å; F274-L495 HydrophobicContact CG-CD1 4.5Å |
| 275 | D | 86.7 | Confident | 82.7 | Confident | 78 Ų | 78 | 57.9 Ų | 57.9 | 42% | 0.417 | 29% | 0.293 | S | S | . | . | P | Polyproline II helix | trans | -86.4 | 150.3 | 170.6 | -64.6 | -71.6 | 0 | 0 | 0 | 110.3 | K453 S496 | D275-K453 WeakPolarHBondContact OD1-CB 3.39Å; D275-K453 WeakPolarHBondContact OD1-CD 3.49Å; D275-K453 IonicContact OD1-NZ 3.77Å; D275-K453 WeakPolarHBondContact OD2-CE 3.27Å; D275-K453 IonicContact OD2-NZ 2.65Å; D275-K453 PolarHBondContact OD2-NZ 3.29Å; D275-S496 WeakPolarHBondContact CA-OG 3.29Å; D275-S496 PolarHBondContact N-OG 3.46Å; D275-S496 WeakPolarHBondContact O-CA 3.29Å; D275-S496 WeakPolarHBondContact O-CB 3.47Å; D275-S496 PolarHBondContact O-OG 3.3Å |
| 276 | L | 83 | Confident | 82.5 | Confident | 22 Ų | 22 | 59.8 Ų | 59.8 | 12% | 0.115 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -86.1 | 147.9 | 179.3 | -76.9 | 176.3 | 0 | 0 | 0 | 112.7 | F274 A281 A326 K327 A452 T455 | F274-L276 HydrophobicContact CE2-CD2 3.97Å; L276-A281 HydrophobicContact CB-CB 3.85Å; L276-A326 HydrophobicContact CD1-CB 3.81Å; L276-A326 HydrophobicContact CD2-CB 4.4Å; L276-A326 WeakPolarHBondContact CD2-O 3.47Å; L276-K327 HydrophobicContact CD2-CG 4.44Å; L276-A452 HydrophobicContact CD1-CB 4.3Å; L276-A452 HydrophobicContact CD2-CB 4.23Å; L276-A452 HydrophobicContact CG-CB 4.04Å; L276-T455 HydrophobicContact CD1-CG2 3.39Å; L276-T455 HydrophobicContact CG-CG2 4.29Å |
| 277 | P | 78.3 | Confident | 81.9 | Confident | 29 Ų | 29 | 56.7 Ų | 56.7 | 19% | 0.188 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -55.3 | 141.6 | 166.5 | -22 | 32 | 0 | 0 | 0 | 111.4 | E279 A280 A281 A498 | P277-E279 VanDerWaalsContact C-N 3.31Å; P277-E279 PolarHBondContact O-N 3.17Å; P277-E279 VanDerWaalsContact O-N 3.13Å; P277-A280 PolarHBondContact O-N 3.19Å; P277-A280 VanDerWaalsContact O-N 3.08Å; P277-A281 WeakPolarHBondContact O-CB 3.48Å; P277-A281 PolarHBondContact O-N 3.47Å; P277-A498 WeakPolarHBondContact CG-O 3.44Å |
| 278 | K | 75.8 | Confident | 81.3 | Confident | 184 Ų | 184 | 56.7 Ų | 56.7 | 80% | 0.8 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -52 | -42.2 | -169.8 | -69.8 | 179.8 | 179.7 | 174.2 | 0 | 114.5 | A281 K282 | K278-A281 PolarHBondContact O-N 2.83Å; K278-K282 WeakPolarHBondContact O-CB 3.45Å; K278-K282 PolarHBondContact O-N 2.98Å |
| 279 | E | 73.3 | Confident | 80.7 | Confident | 130 Ų | 130 | 56.1 Ų | 56.1 | 61% | 0.607 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -69.7 | -44.5 | -179.8 | -55 | -45.5 | 127.7 | 0 | 0 | 112.2 | P277 A281 K282 | P277-E279 VanDerWaalsContact C-N 3.31Å; P277-E279 PolarHBondContact O-N 3.17Å; P277-E279 VanDerWaalsContact O-N 3.13Å; E279-A281 VanDerWaalsContact C-N 3.32Å; E279-A281 PolarHBondContact O-N 3.16Å; E279-K282 WeakPolarHBondContact O-CB 3.42Å; E279-K282 PolarHBondContact O-N 3.11Å |
| 280 | A | 72.2 | Confident | 80 | Confident | 15 Ų | 15 | 58.2 Ų | 58.2 | 12% | 0.124 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.2 | -33.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P277 A326 A500 | P277-A280 PolarHBondContact O-N 3.19Å; P277-A280 VanDerWaalsContact O-N 3.08Å; A280-A326 HydrophobicContact CB-CB 4.17Å; A280-A500 HydrophobicContact CB-CB 4.45Å |
| 281 | A | 74.6 | Confident | 79.3 | Confident | 21 Ų | 21 | 57.6 Ų | 57.6 | 17% | 0.174 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.4 | -37.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | L276 P277 K278 E279 E283 A284 S285 | L276-A281 HydrophobicContact CB-CB 3.85Å; P277-A281 WeakPolarHBondContact O-CB 3.48Å; P277-A281 PolarHBondContact O-N 3.47Å; K278-A281 PolarHBondContact O-N 2.83Å; E279-A281 VanDerWaalsContact C-N 3.32Å; E279-A281 PolarHBondContact O-N 3.16Å; A281-E283 PolarHBondContact O-N 3.01Å; A281-A284 PolarHBondContact O-N 3.3Å; A281-S285 VanDerWaalsContact O-CB 3.23Å; A281-S285 WeakPolarHBondContact O-CB 3.36Å; A281-S285 PolarHBondContact O-N 3.29Å; A281-S285 PolarHBondContact O-OG 2.81Å |
| 282 | K | 77.3 | Confident | 78.5 | Confident | 144 Ų | 144 | 58.3 Ų | 58.3 | 63% | 0.626 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -55.8 | -49.8 | -172.7 | -173.4 | 178.5 | 177.3 | -175.8 | 0 | 113.6 | K278 E279 A286 | K278-K282 WeakPolarHBondContact O-CB 3.45Å; K278-K282 PolarHBondContact O-N 2.98Å; E279-K282 WeakPolarHBondContact O-CB 3.42Å; E279-K282 PolarHBondContact O-N 3.11Å; K282-A286 WeakPolarHBondContact O-CB 3.26Å; K282-A286 PolarHBondContact O-N 3.49Å |
| 283 | E | 72.3 | Confident | 77.9 | Confident | 129 Ų | 129 | 66.1 Ų | 66.1 | 60% | 0.603 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -70.6 | -42.8 | -179.9 | -61.9 | -167 | 168.9 | 0 | 0 | 112.1 | A281 A286 C287 | A281-E283 PolarHBondContact O-N 3.01Å; E283-A286 PolarHBondContact O-N 2.96Å; E283-C287 PolarHBondContact O-N 2.85Å; E283-C287 VanDerWaalsContact O-N 3.15Å |
| 284 | A | 72.9 | Confident | 77.1 | Confident | 10 Ų | 10 | 66.9 Ų | 66.9 | 8% | 0.083 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.2 | -44.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A281 C287 F288 A326 | A281-A284 PolarHBondContact O-N 3.3Å; A284-C287 PolarHBondContact O-N 3.13Å; A284-F288 WeakPolarHBondContact O-CB 3.45Å; A284-F288 PolarHBondContact O-N 3.47Å; A284-A326 HydrophobicContact CB-CB 4.41Å |
| 285 | S | 73.4 | Confident | 76.1 | Confident | 55 Ų | 55 | 70.6 Ų | 70.6 | 39% | 0.385 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -69 | -36.2 | 178.1 | -63.8 | 0 | 0 | 0 | 0 | 112.9 | A281 F288 A289 | A281-S285 VanDerWaalsContact O-CB 3.23Å; A281-S285 WeakPolarHBondContact O-CB 3.36Å; A281-S285 PolarHBondContact O-N 3.29Å; A281-S285 PolarHBondContact O-OG 2.81Å; S285-F288 PolarHBondContact O-N 3.08Å; S285-A289 VanDerWaalsContact O-CB 3.31Å; S285-A289 WeakPolarHBondContact O-CB 3.41Å; S285-A289 PolarHBondContact O-N 2.99Å |
| 286 | A | 77.9 | Confident | 75.3 | Confident | 63 Ų | 63 | 72.8 Ų | 72.8 | 52% | 0.521 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.2 | -46.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | K282 E283 F288 A289 E290 | K282-A286 WeakPolarHBondContact O-CB 3.26Å; K282-A286 PolarHBondContact O-N 3.49Å; E283-A286 PolarHBondContact O-N 2.96Å; A286-F288 VanDerWaalsContact C-N 3.33Å; A286-F288 PolarHBondContact O-N 3.46Å; A286-A289 PolarHBondContact O-N 3.36Å; A286-E290 PolarHBondContact O-N 3.17Å |
| 287 | C | 74.1 | Confident | 74.3 | Confident | 17 Ų | 17 | 72.9 Ų | 72.9 | 12% | 0.115 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64 | -36.9 | 176.8 | -163.6 | 0 | 0 | 0 | 0 | 112.1 | E283 A284 W291 L315 M319 | E283-C287 PolarHBondContact O-N 2.85Å; E283-C287 VanDerWaalsContact O-N 3.15Å; A284-C287 PolarHBondContact O-N 3.13Å; C287-W291 PolarHBondContact O-N 3.23Å; C287-W291 VanDerWaalsContact O-N 3.13Å; C287-L315 VanDerWaalsContact SG-CD1 3.53Å; C287-M319 HydrophobicContact CB-CG 4.3Å; C287-M319 WeakPolarHBondContact SG-CG 3.38Å |
| 288 | F | 75.6 | Confident | 73.3 | Confident | 34 Ų | 34 | 74.9 Ų | 74.9 | 15% | 0.149 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -69.2 | -42 | 175 | -167.7 | -83.3 | 0 | 0 | 0 | 113.2 | A284 S285 A286 E290 W291 E292 M319 V459 | A284-F288 WeakPolarHBondContact O-CB 3.45Å; A284-F288 PolarHBondContact O-N 3.47Å; S285-F288 PolarHBondContact O-N 3.08Å; A286-F288 VanDerWaalsContact C-N 3.33Å; A286-F288 PolarHBondContact O-N 3.46Å; F288-E290 VanDerWaalsContact C-N 3.35Å; F288-W291 PolarHBondContact O-N 2.83Å; F288-E292 HydrophobicContact CD1-CG 4.23Å; F288-E292 HydrophobicContact CE1-CG 3.97Å; F288-E292 WeakPolarHBondContact CE1-OE1 3.45Å; F288-E292 PolarHBondContact O-N 2.84Å; F288-M319 HydrophobicContact CB-CE 4.27Å; F288-M319 HydrophobicContact CD2-CE 3.53Å; F288-M319 HydrophobicContact CE2-CE 4.21Å; F288-M319 HydrophobicContact CG-CE 4.16Å; F288-V459 HydrophobicContact CE2-CG2 3.77Å; F288-V459 HydrophobicContact CZ-CG2 3.91Å |
| 289 | A | 79.2 | Confident | 72.2 | Confident | 59 Ų | 59 | 69.5 Ų | 69.5 | 49% | 0.488 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -66.5 | -36.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | S285 A286 E292 R293 | S285-A289 VanDerWaalsContact O-CB 3.31Å; S285-A289 WeakPolarHBondContact O-CB 3.41Å; S285-A289 PolarHBondContact O-N 2.99Å; A286-A289 PolarHBondContact O-N 3.36Å; A289-E292 PolarHBondContact O-N 2.78Å; A289-R293 WeakPolarHBondContact O-CB 3.32Å; A289-R293 PolarHBondContact O-N 2.86Å |
| 290 | E | 78.5 | Confident | 71.2 | Confident | 90 Ų | 90 | 69.9 Ų | 69.9 | 42% | 0.421 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.5 | -44.5 | 170.5 | 177.5 | 163 | -128.9 | 0 | 0 | 111.9 | A286 F288 E292 R293 L294 L315 | A286-E290 PolarHBondContact O-N 3.17Å; F288-E290 VanDerWaalsContact C-N 3.35Å; E290-E292 PolarHBondContact O-N 3.41Å; E290-R293 WeakPolarHBondContact O-CB 3.08Å; E290-R293 PolarHBondContact O-N 3.44Å; E290-R293 IonicContact OE1-NH2 2.61Å; E290-R293 PolarHBondContact OE1-NH2 3.4Å; E290-L294 WeakPolarHBondContact O-CB 3.48Å; E290-L294 PolarHBondContact O-N 2.72Å; E290-L315 HydrophobicContact CG-CD2 4.05Å |
| 291 | W | 78.1 | Confident | 69.9 | Low | 43 Ų | 43 | 72.3 Ų | 72.3 | 16% | 0.163 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -62 | -43.6 | 176.8 | 177 | 85.4 | 0 | 0 | 0 | 112.2 | C287 F288 R293 L294 M295 L315 M319 V459 | C287-W291 PolarHBondContact O-N 3.23Å; C287-W291 VanDerWaalsContact O-N 3.13Å; F288-W291 PolarHBondContact O-N 2.83Å; W291-R293 VanDerWaalsContact C-N 3.33Å; W291-R293 PolarHBondContact O-N 3.23Å; W291-L294 PolarHBondContact O-N 3.25Å; W291-M295 HydrophobicContact CD2-CG 3.96Å; W291-M295 HydrophobicContact CE3-CG 4.45Å; W291-M295 HydrophobicContact CG-CG 4.42Å; W291-M295 HydrophobicContact CH2-CG 4.25Å; W291-M295 HydrophobicContact CZ2-CG 3.74Å; W291-M295 HydrophobicContact CZ2-SD 4.27Å; W291-M295 WeakPolarHBondContact O-CB 3.28Å; W291-M295 VanDerWaalsContact O-CG 3.28Å; W291-M295 WeakPolarHBondContact O-CG 3.48Å; W291-M295 PolarHBondContact O-N 3.32Å; W291-L315 HydrophobicContact CB-CD2 3.73Å; W291-L315 HydrophobicContact CB-CG 4.24Å; W291-L315 HydrophobicContact CG-CD2 4.42Å; W291-M319 HydrophobicContact CB-CE 3.9Å; W291-M319 HydrophobicContact CB-SD 3.42Å; W291-M319 WeakPolarHBondContact CB-SD 3.12Å; W291-M319 HydrophobicContact CD2-CE 4.11Å; W291-M319 HydrophobicContact CD2-SD 4.28Å; W291-M319 HydrophobicContact CE3-CE 4.34Å; W291-M319 HydrophobicContact CG-CE 3.91Å; W291-M319 HydrophobicContact CG-SD 3.52Å; W291-M319 VanDerWaalsContact CG-SD 3.52Å; W291-V459 HydrophobicContact CH2-CG1 4.42Å |
| 292 | E | 75.7 | Confident | 68.6 | Low | 73 Ų | 73 | 76.1 Ų | 76.1 | 34% | 0.341 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -58.9 | -43.7 | 172.9 | -80.1 | -154.8 | 179 | 0 | 0 | 112.3 | F288 A289 E290 M295 K296 | F288-E292 HydrophobicContact CD1-CG 4.23Å; F288-E292 HydrophobicContact CE1-CG 3.97Å; F288-E292 WeakPolarHBondContact CE1-OE1 3.45Å; F288-E292 PolarHBondContact O-N 2.84Å; A289-E292 PolarHBondContact O-N 2.78Å; E290-E292 PolarHBondContact O-N 3.41Å; E292-M295 PolarHBondContact O-N 2.88Å; E292-K296 WeakPolarHBondContact O-CB 3.46Å; E292-K296 WeakPolarHBondContact O-CD 3.3Å; E292-K296 WeakPolarHBondContact O-CG 3.34Å; E292-K296 PolarHBondContact O-N 3.07Å; E292-K296 IonicContact OE2-NZ 2.67Å; E292-K296 PolarHBondContact OE2-NZ 3.19Å |
| 293 | R | 78.4 | Confident | 67 | Low | 164 Ų | 164 | 72.3 Ų | 72.3 | 62% | 0.619 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -60.9 | -45 | 178.2 | -177.7 | -176.2 | 67.4 | 94.6 | -1.6 | 111.3 | A289 E290 W291 K296 G297 | A289-R293 WeakPolarHBondContact O-CB 3.32Å; A289-R293 PolarHBondContact O-N 2.86Å; E290-R293 WeakPolarHBondContact O-CB 3.08Å; E290-R293 PolarHBondContact O-N 3.44Å; E290-R293 IonicContact OE1-NH2 2.61Å; E290-R293 PolarHBondContact OE1-NH2 3.4Å; W291-R293 VanDerWaalsContact C-N 3.33Å; W291-R293 PolarHBondContact O-N 3.23Å; R293-K296 PolarHBondContact O-N 2.87Å; R293-G297 PolarHBondContact O-N 2.67Å |
| 294 | L | 72.7 | Confident | 65.8 | Low | 40 Ų | 40 | 72.3 Ų | 72.3 | 21% | 0.209 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -66 | -45 | 179.1 | -152.4 | 176.4 | 0 | 0 | 0 | 110.9 | E290 W291 K296 G297 L298 V312 L315 | E290-L294 WeakPolarHBondContact O-CB 3.48Å; E290-L294 PolarHBondContact O-N 2.72Å; W291-L294 PolarHBondContact O-N 3.25Å; L294-K296 PolarHBondContact O-N 3.39Å; L294-G297 PolarHBondContact O-N 2.96Å; L294-L298 HydrophobicContact CD2-CD1 3.59Å; L294-L298 HydrophobicContact CD2-CG 4Å; L294-L298 PolarHBondContact O-N 2.83Å; L294-V312 HydrophobicContact CD1-CG2 4.04Å; L294-V312 HydrophobicContact CD2-CG2 3.59Å; L294-V312 HydrophobicContact CG-CG2 4.39Å; L294-L315 HydrophobicContact CD1-CD2 4.2Å |
| 295 | M | 68.9 | Low | 64.7 | Low | 82 Ų | 82 | 74.4 Ų | 74.4 | 40% | 0.404 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.9 | -38.3 | 176 | -72.3 | -62.5 | -59.6 | 0 | 0 | 112.9 | W291 E292 L298 G299 V312 | W291-M295 HydrophobicContact CD2-CG 3.96Å; W291-M295 HydrophobicContact CE3-CG 4.45Å; W291-M295 HydrophobicContact CG-CG 4.42Å; W291-M295 HydrophobicContact CH2-CG 4.25Å; W291-M295 HydrophobicContact CZ2-CG 3.74Å; W291-M295 HydrophobicContact CZ2-SD 4.27Å; W291-M295 WeakPolarHBondContact O-CB 3.28Å; W291-M295 VanDerWaalsContact O-CG 3.28Å; W291-M295 WeakPolarHBondContact O-CG 3.48Å; W291-M295 PolarHBondContact O-N 3.32Å; E292-M295 PolarHBondContact O-N 2.88Å; M295-L298 HydrophobicContact SD-CD1 4.29Å; M295-G299 PolarHBondContact O-N 3.07Å; M295-V312 HydrophobicContact SD-CG1 4.43Å |
| 296 | K | 69.7 | Low | 63.7 | Low | 125 Ų | 125 | 80.5 Ų | 80.5 | 54% | 0.543 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -67.1 | -40 | 174.2 | -71.6 | 163.7 | -168.3 | 170 | 0 | 111.7 | E292 R293 L294 G299 L300 | E292-K296 WeakPolarHBondContact O-CB 3.46Å; E292-K296 WeakPolarHBondContact O-CD 3.3Å; E292-K296 WeakPolarHBondContact O-CG 3.34Å; E292-K296 PolarHBondContact O-N 3.07Å; E292-K296 IonicContact OE2-NZ 2.67Å; E292-K296 PolarHBondContact OE2-NZ 3.19Å; R293-K296 PolarHBondContact O-N 2.87Å; L294-K296 PolarHBondContact O-N 3.39Å; K296-G299 PolarHBondContact O-N 2.68Å; K296-L300 PolarHBondContact O-N 2.96Å |
| 297 | G | 61.2 | Low | 62.8 | Low | 24 Ų | 24 | 81.3 Ų | 81.3 | 25% | 0.247 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -63 | -42.2 | 174 | 0 | 0 | 0 | 0 | 0 | 113.3 | R293 L294 G299 L300 G301 | R293-G297 PolarHBondContact O-N 2.67Å; L294-G297 PolarHBondContact O-N 2.96Å; G297-G299 VanDerWaalsContact C-N 3.3Å; G297-G299 PolarHBondContact O-N 2.79Å; G297-L300 PolarHBondContact O-N 3.01Å; G297-G301 PolarHBondContact O-N 3.15Å |
| 298 | L | 58.3 | Low | 62.1 | Low | 70 Ų | 70 | 81.7 Ų | 81.7 | 37% | 0.366 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.6 | -37.5 | 174.6 | -82 | 165.2 | 0 | 0 | 0 | 112.9 | L294 M295 L300 G301 P308 V312 | L294-L298 HydrophobicContact CD2-CD1 3.59Å; L294-L298 HydrophobicContact CD2-CG 4Å; L294-L298 PolarHBondContact O-N 2.83Å; M295-L298 HydrophobicContact SD-CD1 4.29Å; L298-L300 PolarHBondContact O-N 2.77Å; L298-G301 PolarHBondContact O-N 3.42Å; L298-P308 HydrophobicContact CD2-CB 3.93Å; L298-V312 HydrophobicContact CD1-CG2 3.82Å |
| 299 | G | 52.5 | Low | 61.2 | Low | 71 Ų | 71 | 84.5 Ų | 84.5 | 73% | 0.732 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -69.9 | -14.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | M295 K296 G297 | M295-G299 PolarHBondContact O-N 3.07Å; K296-G299 PolarHBondContact O-N 2.68Å; G297-G299 VanDerWaalsContact C-N 3.3Å; G297-G299 PolarHBondContact O-N 2.79Å |
| 300 | L | 50.6 | Low | 60.6 | Low | 138 Ų | 138 | 86 Ų | 86 | 72% | 0.723 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.3 | 4.4 | 179.1 | -68.3 | 168.7 | 0 | 0 | 0 | 113.1 | K296 G297 L298 V302 | K296-L300 PolarHBondContact O-N 2.96Å; G297-L300 PolarHBondContact O-N 3.01Å; L298-L300 PolarHBondContact O-N 2.77Å; L300-V302 PolarHBondContact O-N 3.04Å |
| 301 | G | 45.9 | Very low | 60.2 | Low | 66 Ų | 66 | 85.6 Ų | 85.6 | 68% | 0.68 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | -1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | G297 L298 A303 | G297-G301 PolarHBondContact O-N 3.15Å; L298-G301 PolarHBondContact O-N 3.42Å; G301-A303 PolarHBondContact O-N 2.95Å |
| 302 | V | 46.8 | Very low | 59.9 | Low | 101 Ų | 101 | 84.4 Ų | 84.4 | 61% | 0.612 | 48% | 0.478 | S | S | * | . | trans | -83.6 | 78.1 | -178.5 | -172.9 | 0 | 0 | 0 | 0 | 110 | L300 T304 | L300-V302 PolarHBondContact O-N 3.04Å; V302-T304 HydrophobicContact CG1-CG2 4.23Å | ||
| 303 | A | 43.9 | Very low | 59.7 | Low | 64 Ų | 64 | 84.6 Ų | 84.6 | 53% | 0.529 | 48% | 0.479 | S | S | . | . | trans | -89.3 | 102.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111 | G301 P308 | G301-A303 PolarHBondContact O-N 2.95Å; A303-P308 HydrophobicContact CB-CG 4.39Å | ||
| 304 | T | 47.9 | Very low | 59.5 | Low | 129 Ų | 129 | 80.6 Ų | 80.6 | 79% | 0.791 | 48% | 0.477 | S | S | * | . | trans | -90.4 | 0.4 | 179.8 | 52.5 | 0 | 0 | 0 | 0 | 114.6 | V302 | V302-T304 HydrophobicContact CG1-CG2 4.23Š| ||
| 305 | T | 49.3 | Very low | 59.9 | Low | 55 Ų | 55 | 79.7 Ų | 79.7 | 34% | 0.337 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -130.6 | 151.9 | -176.4 | 59.5 | 0 | 0 | 0 | 0 | 111.8 | N307 P308 E311 | T305-N307 PolarHBondContact O-N 2.93Å; T305-P308 WeakPolarHBondContact O-CD 3.45Å; T305-E311 VanDerWaalsContact CB-OE1 3.22Å; T305-E311 WeakPolarHBondContact CB-OE1 3.31Å; T305-E311 WeakPolarHBondContact CB-OE2 3.23Å; T305-E311 WeakPolarHBondContact CG2-OE1 3.16Å; T305-E311 PolarHBondContact OG1-OE1 3.41Å; T305-E311 PolarHBondContact OG1-OE2 3.06Å |
| 306 | E | 52.6 | Low | 60.4 | Low | 183 Ų | 183 | 76.4 Ų | 76.4 | 86% | 0.855 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -75.4 | -19.9 | -172.2 | -62 | -165.6 | 150.2 | 0 | 0 | 114.6 | ||
| 307 | N | 58.1 | Low | 61.1 | Low | 79 Ų | 79 | 74.2 Ų | 74.2 | 42% | 0.422 | 45% | 0.454 | S | S | . | . | trans | -142.1 | 68 | 177 | -69.9 | -80.5 | 0 | 0 | 0 | 113.1 | T305 F309 T310 E311 | T305-N307 PolarHBondContact O-N 2.93Å; N307-F309 PolarHBondContact O-N 3.43Å; N307-T310 PolarHBondContact O-N 3.08Å; N307-E311 PolarHBondContact O-N 3.05Å | ||
| 308 | P | 60.4 | Low | 62.2 | Low | 25 Ų | 25 | 76.9 Ų | 76.9 | 16% | 0.162 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -58.5 | -26.7 | -176.5 | -23.5 | 33.5 | 0 | 0 | 0 | 114.2 | L298 A303 T305 E311 V312 | L298-P308 HydrophobicContact CD2-CB 3.93Å; A303-P308 HydrophobicContact CB-CG 4.39Å; T305-P308 WeakPolarHBondContact O-CD 3.45Å; P308-E311 PolarHBondContact O-N 3.41Å; P308-V312 WeakPolarHBondContact O-CB 3.21Å; P308-V312 VanDerWaalsContact O-CG2 3.32Å; P308-V312 WeakPolarHBondContact O-CG2 3.44Å; P308-V312 PolarHBondContact O-N 2.88Å |
| 309 | F | 57.5 | Low | 63.4 | Low | 93 Ų | 93 | 73.8 Ų | 73.8 | 41% | 0.408 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -68 | -34 | 176.9 | -177.4 | -101.3 | 0 | 0 | 0 | 113 | N307 M313 | N307-F309 PolarHBondContact O-N 3.43Å; F309-M313 HydrophobicContact CD1-CG 4.19Å; F309-M313 HydrophobicContact CD2-CG 4.36Å; F309-M313 HydrophobicContact CE1-CG 3.66Å; F309-M313 HydrophobicContact CE2-CG 3.84Å; F309-M313 HydrophobicContact CE2-SD 4.17Å; F309-M313 HydrophobicContact CZ-CG 3.46Å; F309-M313 VanDerWaalsContact CZ-CG 3.46Å; F309-M313 HydrophobicContact CZ-SD 3.95Å; F309-M313 WeakPolarHBondContact O-CB 3.46Å; F309-M313 WeakPolarHBondContact O-CG 3.32Å; F309-M313 PolarHBondContact O-N 2.88Å |
| 310 | T | 66.4 | Low | 65.1 | Low | 92 Ų | 92 | 70.9 Ų | 70.9 | 56% | 0.564 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -70.8 | -40.4 | 177 | -54.3 | 0 | 0 | 0 | 0 | 110.3 | N307 M313 S314 | N307-T310 PolarHBondContact O-N 3.08Å; T310-M313 PolarHBondContact O-N 3.26Å; T310-S314 VanDerWaalsContact O-CB 3.27Å; T310-S314 WeakPolarHBondContact O-CB 3.23Å; T310-S314 PolarHBondContact O-N 3Å |
| 311 | E | 70.3 | Confident | 66.8 | Low | 81 Ų | 81 | 68.8 Ų | 68.8 | 38% | 0.379 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.4 | -50.5 | 174.4 | -68.9 | 160.3 | -174.7 | 0 | 0 | 110.9 | T305 N307 P308 M313 S314 L315 | T305-E311 VanDerWaalsContact CB-OE1 3.22Å; T305-E311 WeakPolarHBondContact CB-OE1 3.31Å; T305-E311 WeakPolarHBondContact CB-OE2 3.23Å; T305-E311 WeakPolarHBondContact CG2-OE1 3.16Å; T305-E311 PolarHBondContact OG1-OE1 3.41Å; T305-E311 PolarHBondContact OG1-OE2 3.06Å; N307-E311 PolarHBondContact O-N 3.05Å; P308-E311 PolarHBondContact O-N 3.41Å; E311-M313 PolarHBondContact O-N 3.37Å; E311-S314 PolarHBondContact O-N 2.84Å; E311-L315 WeakPolarHBondContact O-CB 3.32Å; E311-L315 PolarHBondContact O-N 2.98Å |
| 312 | V | 70.3 | Confident | 68.7 | Low | 17 Ų | 17 | 67.3 Ų | 67.3 | 10% | 0.103 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -58.6 | -44.8 | 175 | 169.1 | 0 | 0 | 0 | 0 | 111.9 | L294 M295 L298 P308 L315 V316 | L294-V312 HydrophobicContact CD1-CG2 4.04Å; L294-V312 HydrophobicContact CD2-CG2 3.59Å; L294-V312 HydrophobicContact CG-CG2 4.39Å; M295-V312 HydrophobicContact SD-CG1 4.43Å; L298-V312 HydrophobicContact CD1-CG2 3.82Å; P308-V312 WeakPolarHBondContact O-CB 3.21Å; P308-V312 VanDerWaalsContact O-CG2 3.32Å; P308-V312 WeakPolarHBondContact O-CG2 3.44Å; P308-V312 PolarHBondContact O-N 2.88Å; V312-L315 PolarHBondContact O-N 3.47Å; V312-V316 HydrophobicContact CG1-CG2 4.17Å; V312-V316 VanDerWaalsContact O-CB 3.23Å; V312-V316 WeakPolarHBondContact O-CB 3.33Å; V312-V316 WeakPolarHBondContact O-CG2 3.19Å; V312-V316 PolarHBondContact O-N 2.96Å |
| 313 | M | 71.2 | Confident | 70.8 | Confident | 77 Ų | 77 | 62.9 Ų | 62.9 | 38% | 0.379 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -70 | -32.9 | 179.7 | -75.4 | -55.7 | -42.1 | 0 | 0 | 113.2 | F309 T310 E311 T317 | F309-M313 HydrophobicContact CD1-CG 4.19Å; F309-M313 HydrophobicContact CD2-CG 4.36Å; F309-M313 HydrophobicContact CE1-CG 3.66Å; F309-M313 HydrophobicContact CE2-CG 3.84Å; F309-M313 HydrophobicContact CE2-SD 4.17Å; F309-M313 HydrophobicContact CZ-CG 3.46Å; F309-M313 VanDerWaalsContact CZ-CG 3.46Å; F309-M313 HydrophobicContact CZ-SD 3.95Å; F309-M313 WeakPolarHBondContact O-CB 3.46Å; F309-M313 WeakPolarHBondContact O-CG 3.32Å; F309-M313 PolarHBondContact O-N 2.88Å; T310-M313 PolarHBondContact O-N 3.26Å; E311-M313 PolarHBondContact O-N 3.37Å; M313-T317 WeakPolarHBondContact O-CB 3.33Å; M313-T317 PolarHBondContact O-N 3.24Å; M313-T317 PolarHBondContact O-OG1 2.75Å |
| 314 | S | 75.9 | Confident | 72.9 | Confident | 80 Ų | 80 | 59.9 Ų | 59.9 | 56% | 0.559 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -64.1 | -51.1 | 171.7 | -172.6 | 0 | 0 | 0 | 0 | 110.4 | T310 E311 V316 T317 Q318 | T310-S314 VanDerWaalsContact O-CB 3.27Å; T310-S314 WeakPolarHBondContact O-CB 3.23Å; T310-S314 PolarHBondContact O-N 3Å; E311-S314 PolarHBondContact O-N 2.84Å; S314-V316 PolarHBondContact O-N 3.17Å; S314-T317 WeakPolarHBondContact O-CB 3.31Å; S314-T317 PolarHBondContact O-N 2.86Å; S314-T317 VanDerWaalsContact O-N 3.08Å; S314-Q318 PolarHBondContact O-N 3.18Å |
| 315 | L | 79.8 | Confident | 74.8 | Confident | 21 Ų | 21 | 56.1 Ų | 56.1 | 11% | 0.11 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.5 | -45 | 178.5 | -173.8 | 61 | 0 | 0 | 0 | 111.8 | C287 E290 W291 L294 E311 V312 T317 Q318 M319 | C287-L315 VanDerWaalsContact SG-CD1 3.53Å; E290-L315 HydrophobicContact CG-CD2 4.05Å; W291-L315 HydrophobicContact CB-CD2 3.73Å; W291-L315 HydrophobicContact CB-CG 4.24Å; W291-L315 HydrophobicContact CG-CD2 4.42Å; L294-L315 HydrophobicContact CD1-CD2 4.2Å; E311-L315 WeakPolarHBondContact O-CB 3.32Å; E311-L315 PolarHBondContact O-N 2.98Å; V312-L315 PolarHBondContact O-N 3.47Å; L315-T317 VanDerWaalsContact C-N 3.28Å; L315-T317 PolarHBondContact O-N 3.11Å; L315-Q318 CarbonylContact O-C 3.48Å; L315-Q318 PolarHBondContact O-N 3.3Å; L315-Q318 VanDerWaalsContact O-N 3.16Å; L315-M319 HydrophobicContact CG-SD 4.23Å; L315-M319 WeakPolarHBondContact O-CB 3.45Å; L315-M319 WeakPolarHBondContact O-CG 3.31Å; L315-M319 PolarHBondContact O-N 3.31Å |
| 316 | V | 80.7 | Confident | 76.6 | Confident | 13 Ų | 13 | 54.2 Ų | 54.2 | 8% | 0.079 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.4 | -34.1 | 174.9 | 165 | 0 | 0 | 0 | 0 | 112.3 | V312 S314 Y320 W424 F456 | V312-V316 HydrophobicContact CG1-CG2 4.17Å; V312-V316 VanDerWaalsContact O-CB 3.23Å; V312-V316 WeakPolarHBondContact O-CB 3.33Å; V312-V316 WeakPolarHBondContact O-CG2 3.19Å; V312-V316 PolarHBondContact O-N 2.96Å; S314-V316 PolarHBondContact O-N 3.17Å; V316-Y320 WeakPolarHBondContact O-CB 3.34Å; V316-Y320 PolarHBondContact O-N 2.99Å; V316-Y320 VanDerWaalsContact O-N 3.17Å; V316-W424 HydrophobicContact CG1-CH2 3.44Å; V316-W424 VanDerWaalsContact CG1-CH2 3.44Å; V316-W424 HydrophobicContact CG1-CZ2 4.38Å; V316-W424 HydrophobicContact CG1-CZ3 4.09Å; V316-F456 HydrophobicContact CG1-CE1 4.44Å; V316-F456 HydrophobicContact CG1-CZ 3.88Å |
| 317 | T | 83.1 | Confident | 78.4 | Confident | 80 Ų | 80 | 45.6 Ų | 45.6 | 49% | 0.491 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -71.9 | -41.5 | 174.4 | -55.3 | 0 | 0 | 0 | 0 | 111.2 | M313 S314 L315 Y320 K321 | M313-T317 WeakPolarHBondContact O-CB 3.33Å; M313-T317 PolarHBondContact O-N 3.24Å; M313-T317 PolarHBondContact O-OG1 2.75Å; S314-T317 WeakPolarHBondContact O-CB 3.31Å; S314-T317 PolarHBondContact O-N 2.86Å; S314-T317 VanDerWaalsContact O-N 3.08Å; L315-T317 VanDerWaalsContact C-N 3.28Å; L315-T317 PolarHBondContact O-N 3.11Å; T317-Y320 PolarHBondContact O-N 2.86Å; T317-K321 PolarHBondContact O-N 3Å; T317-K321 VanDerWaalsContact O-N 3.1Å |
| 318 | Q | 84 | Confident | 80 | Confident | 80 Ų | 80 | 41.8 Ų | 41.8 | 37% | 0.374 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.5 | -46.3 | 174.9 | 178.9 | 68.1 | -12.1 | 0 | 0 | 111.4 | S314 L315 Y320 K321 Q322 | S314-Q318 PolarHBondContact O-N 3.18Å; L315-Q318 CarbonylContact O-C 3.48Å; L315-Q318 PolarHBondContact O-N 3.3Å; L315-Q318 VanDerWaalsContact O-N 3.16Å; Q318-Y320 VanDerWaalsContact C-N 3.29Å; Q318-Y320 PolarHBondContact O-N 3.16Å; Q318-K321 PolarHBondContact O-N 3.25Å; Q318-Q322 HydrophobicContact CG-CG 4.26Å; Q318-Q322 WeakPolarHBondContact O-CB 3.31Å; Q318-Q322 VanDerWaalsContact O-CG 3.32Å; Q318-Q322 WeakPolarHBondContact O-CG 3.38Å; Q318-Q322 PolarHBondContact O-N 3.43Å |
| 319 | M | 85 | Confident | 81.3 | Confident | 5 Ų | 5 | 40.8 Ų | 40.8 | 3% | 0.025 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -56.9 | -41.2 | 175.1 | -70.9 | 167 | 71.9 | 0 | 0 | 112.2 | C287 F288 W291 L315 Q322 T323 F456 | C287-M319 HydrophobicContact CB-CG 4.3Å; C287-M319 WeakPolarHBondContact SG-CG 3.38Å; F288-M319 HydrophobicContact CB-CE 4.27Å; F288-M319 HydrophobicContact CD2-CE 3.53Å; F288-M319 HydrophobicContact CE2-CE 4.21Å; F288-M319 HydrophobicContact CG-CE 4.16Å; W291-M319 HydrophobicContact CB-CE 3.9Å; W291-M319 HydrophobicContact CB-SD 3.42Å; W291-M319 WeakPolarHBondContact CB-SD 3.12Å; W291-M319 HydrophobicContact CD2-CE 4.11Å; W291-M319 HydrophobicContact CD2-SD 4.28Å; W291-M319 HydrophobicContact CE3-CE 4.34Å; W291-M319 HydrophobicContact CG-CE 3.91Å; W291-M319 HydrophobicContact CG-SD 3.52Å; W291-M319 VanDerWaalsContact CG-SD 3.52Å; L315-M319 HydrophobicContact CG-SD 4.23Å; L315-M319 WeakPolarHBondContact O-CB 3.45Å; L315-M319 WeakPolarHBondContact O-CG 3.31Å; L315-M319 PolarHBondContact O-N 3.31Å; M319-Q322 PolarHBondContact O-N 2.94Å; M319-T323 VanDerWaalsContact O-CB 3.31Å; M319-T323 WeakPolarHBondContact O-CB 3.22Å; M319-T323 PolarHBondContact O-N 2.97Å; M319-T323 PolarHBondContact O-OG1 2.81Å; M319-F456 HydrophobicContact CB-CB 4.36Å; M319-F456 HydrophobicContact CB-CG 4.34Å; M319-F456 HydrophobicContact CE-CB 4.19Å; M319-F456 HydrophobicContact CE-CD2 3.53Å; M319-F456 HydrophobicContact CE-CE2 4.26Å; M319-F456 HydrophobicContact CE-CG 4.13Å |
| 320 | Y | 87.2 | Confident | 82.9 | Confident | 10 Ų | 10 | 36.5 Ų | 36.5 | 4% | 0.039 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65 | -44.4 | 177.4 | -176.9 | -138 | 0 | 0 | 0 | 111.5 | V316 T317 Q318 A324 H351 H352 L422 W424 M460 | V316-Y320 WeakPolarHBondContact O-CB 3.34Å; V316-Y320 PolarHBondContact O-N 2.99Å; V316-Y320 VanDerWaalsContact O-N 3.17Å; T317-Y320 PolarHBondContact O-N 2.86Å; Q318-Y320 VanDerWaalsContact C-N 3.29Å; Q318-Y320 PolarHBondContact O-N 3.16Å; Y320-A324 PolarHBondContact O-N 2.81Å; Y320-H351 AromaticContact CE1-CD2 3.41Å; Y320-H351 VanDerWaalsContact CE1-CD2 3.41Å; Y320-H351 WeakPolarHBondContact CE1-CD2 3.41Å; Y320-H351 AromaticContact CZ-CD2 3.83Å; Y320-H352 AromaticContact CD1-CE1 3.64Å; Y320-H352 AromaticContact CE1-CE1 3.77Å; Y320-L422 WeakPolarHBondContact CE2-O 3.46Å; Y320-L422 PolarHBondContact OH-O 3.02Å; Y320-W424 AromaticContact CD1-CE2 3.91Å; Y320-W424 AromaticContact CD1-CZ2 3.67Å; Y320-W424 HydrophobicContact CD1-CZ2 3.67Å; Y320-W424 AromaticContact CD1-NE1 3.61Å; Y320-W424 HydrophobicContact CD2-CZ2 4.45Å; Y320-W424 AromaticContact CE1-CE2 3.94Å; Y320-W424 HydrophobicContact CE1-CZ2 4.18Å; Y320-W424 AromaticContact CE1-NE1 3.25Å; Y320-W424 VanDerWaalsContact CE1-NE1 3.25Å; Y320-W424 AromaticContact CG-CZ2 3.81Å; Y320-W424 HydrophobicContact CG-CZ2 3.81Å; Y320-W424 AromaticContact CZ-NE1 3.84Å; Y320-M460 HydrophobicContact CD2-CE 3.57Å; Y320-M460 HydrophobicContact CE2-CE 3.54Å; Y320-M460 HydrophobicContact CE2-SD 4.23Å; Y320-M460 HydrophobicContact CG-CE 4.28Å |
| 321 | K | 87.5 | Confident | 84.2 | Confident | 94 Ų | 94 | 32.1 Ų | 32.1 | 41% | 0.409 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -63.3 | -44.1 | 173.5 | -175.8 | -173.5 | 174.7 | -170.8 | 0 | 112.5 | T317 Q318 A324 I325 | T317-K321 PolarHBondContact O-N 3Å; T317-K321 VanDerWaalsContact O-N 3.1Å; Q318-K321 PolarHBondContact O-N 3.25Å; K321-A324 WeakPolarHBondContact O-CB 3.46Å; K321-A324 PolarHBondContact O-N 2.74Å; K321-I325 HydrophobicContact CG-CD1 4.16Å; K321-I325 WeakPolarHBondContact O-CG1 3.44Å; K321-I325 PolarHBondContact O-N 2.7Å |
| 322 | Q | 85.6 | Confident | 85.2 | Confident | 35 Ų | 35 | 29.4 Ų | 29.4 | 16% | 0.164 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69 | -35.6 | -179.4 | -68.4 | -63.7 | 7.2 | 0 | 0 | 112.4 | Q318 M319 A324 I325 A326 | Q318-Q322 HydrophobicContact CG-CG 4.26Å; Q318-Q322 WeakPolarHBondContact O-CB 3.31Å; Q318-Q322 VanDerWaalsContact O-CG 3.32Å; Q318-Q322 WeakPolarHBondContact O-CG 3.38Å; Q318-Q322 PolarHBondContact O-N 3.43Å; M319-Q322 PolarHBondContact O-N 2.94Å; Q322-A324 VanDerWaalsContact C-N 3.29Å; Q322-A324 PolarHBondContact O-N 2.7Å; Q322-I325 PolarHBondContact O-N 3.08Å; Q322-A326 WeakPolarHBondContact O-CB 3.37Å; Q322-A326 PolarHBondContact O-N 3.17Å |
| 323 | T | 89.3 | Confident | 86.1 | Confident | 7 Ų | 7 | 30.3 Ų | 30.3 | 4% | 0.043 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.3 | -40.5 | 170.8 | -58.2 | 0 | 0 | 0 | 0 | 110.8 | M319 K327 T455 | M319-T323 VanDerWaalsContact O-CB 3.31Å; M319-T323 WeakPolarHBondContact O-CB 3.22Å; M319-T323 PolarHBondContact O-N 2.97Å; M319-T323 PolarHBondContact O-OG1 2.81Å; T323-K327 HydrophobicContact CG2-CD 3.79Å; T323-K327 HydrophobicContact CG2-CG 4.5Å; T323-K327 VanDerWaalsContact O-CB 3.32Å; T323-K327 WeakPolarHBondContact O-CB 2.99Å; T323-K327 WeakPolarHBondContact O-CD 3.14Å; T323-K327 WeakPolarHBondContact O-CG 3.21Å; T323-K327 PolarHBondContact O-N 3.35Å; T323-K327 VanDerWaalsContact O-N 3.16Å; T323-T455 HydrophobicContact CG2-CG2 4.37Å; T323-T455 WeakPolarHBondContact CG2-OG1 3.43Å |
| 324 | A | 88.8 | Confident | 87.1 | Confident | 2 Ų | 2 | 26.9 Ų | 26.9 | 2% | 0.017 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.5 | -41.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y320 K321 Q322 A328 H352 M355 E421 | Y320-A324 PolarHBondContact O-N 2.81Å; K321-A324 WeakPolarHBondContact O-CB 3.46Å; K321-A324 PolarHBondContact O-N 2.74Å; Q322-A324 VanDerWaalsContact C-N 3.29Å; Q322-A324 PolarHBondContact O-N 2.7Å; A324-A328 PolarHBondContact O-N 3.1Å; A324-H352 HydrophobicContact CB-CB 4.45Å; A324-M355 HydrophobicContact CB-CE 4.39Å; A324-M355 WeakPolarHBondContact O-CE 3.47Å; A324-E421 HydrophobicContact CB-CG 4.36Å; A324-E421 WeakPolarHBondContact CB-OE1 3.42Å |
| 325 | I | 87.6 | Confident | 87.8 | Confident | 50 Ų | 50 | 23.1 Ų | 23.1 | 26% | 0.256 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -64.9 | -52 | 177.7 | -66.8 | 165.8 | 0 | 0 | 0 | 110.7 | K321 Q322 K327 A328 | K321-I325 HydrophobicContact CG-CD1 4.16Å; K321-I325 WeakPolarHBondContact O-CG1 3.44Å; K321-I325 PolarHBondContact O-N 2.7Å; Q322-I325 PolarHBondContact O-N 3.08Å; I325-K327 PolarHBondContact O-N 3.38Å; I325-A328 WeakPolarHBondContact O-CB 3.49Å; I325-A328 PolarHBondContact O-N 2.88Å; I325-A328 VanDerWaalsContact O-N 3.08Å |
| 326 | A | 88.5 | Confident | 88.4 | Confident | 15 Ų | 15 | 24.2 Ų | 24.2 | 12% | 0.124 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.5 | -32.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L276 A280 A284 Q322 | L276-A326 HydrophobicContact CD1-CB 3.81Å; L276-A326 HydrophobicContact CD2-CB 4.4Å; L276-A326 WeakPolarHBondContact CD2-O 3.47Å; A280-A326 HydrophobicContact CB-CB 4.17Å; A284-A326 HydrophobicContact CB-CB 4.41Å; Q322-A326 WeakPolarHBondContact O-CB 3.37Å; Q322-A326 PolarHBondContact O-N 3.17Å |
| 327 | K | 90.3 | Very high | 88.8 | Confident | 1 Ų | 1 | 26 Ų | 26 | 0% | 0.004 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -78.3 | -19.5 | 177.3 | -72.6 | 174.9 | 72.9 | -173.7 | 0 | 114.7 | F274 L276 T323 I325 G329 A330 V331 M355 A420 L450 A452 D457 | F274-K327 HydrophobicContact CZ-CB 4.42Å; F274-K327 HydrophobicContact CZ-CD 4.49Å; F274-K327 HydrophobicContact CZ-CG 3.97Å; L276-K327 HydrophobicContact CD2-CG 4.44Å; T323-K327 HydrophobicContact CG2-CD 3.79Å; T323-K327 HydrophobicContact CG2-CG 4.5Å; T323-K327 VanDerWaalsContact O-CB 3.32Å; T323-K327 WeakPolarHBondContact O-CB 2.99Å; T323-K327 WeakPolarHBondContact O-CD 3.14Å; T323-K327 WeakPolarHBondContact O-CG 3.21Å; T323-K327 PolarHBondContact O-N 3.35Å; T323-K327 VanDerWaalsContact O-N 3.16Å; I325-K327 PolarHBondContact O-N 3.38Å; K327-G329 PolarHBondContact O-N 2.81Å; K327-G329 VanDerWaalsContact O-N 3.13Å; K327-A330 PolarHBondContact O-N 3.19Å; K327-V331 HydrophobicContact CB-CG2 4.3Å; K327-V331 WeakPolarHBondContact O-CG2 3.43Å; K327-V331 PolarHBondContact O-N 3.16Å; K327-M355 HydrophobicContact CB-CE 3.95Å; K327-A420 WeakPolarHBondContact CE-O 3.32Å; K327-A420 PolarHBondContact NZ-O 3.44Å; K327-L450 PolarHBondContact NZ-O 3.44Å; K327-A452 HydrophobicContact CD-CB 3.8Å; K327-A452 HydrophobicContact CG-CB 3.67Å; K327-D457 VanDerWaalsContact CD-OD2 3.27Å; K327-D457 WeakPolarHBondContact CD-OD2 3.28Å; K327-D457 WeakPolarHBondContact CE-OD2 3.47Å; K327-D457 IonicContact NZ-OD1 3.24Å; K327-D457 IonicContact NZ-OD2 3.99Å; K327-D457 PolarHBondContact NZ-OD2 3.25Å |
| 328 | A | 89.9 | Confident | 89.1 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.4 | -31.7 | -166.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | A324 I325 K332 M355 A358 W501 | A324-A328 PolarHBondContact O-N 3.1Å; I325-A328 WeakPolarHBondContact O-CB 3.49Å; I325-A328 PolarHBondContact O-N 2.88Å; I325-A328 VanDerWaalsContact O-N 3.08Å; A328-K332 VanDerWaalsContact O-CB 3.25Å; A328-K332 WeakPolarHBondContact O-CB 3.33Å; A328-K332 PolarHBondContact O-N 2.57Å; A328-M355 HydrophobicContact CB-CE 4.49Å; A328-M355 HydrophobicContact CB-SD 4.37Å; A328-A358 HydrophobicContact CB-CB 3.86Å; A328-W501 HydrophobicContact CB-CB 3.85Å; A328-W501 HydrophobicContact CB-CD2 3.76Å; A328-W501 HydrophobicContact CB-CE3 3.49Å; A328-W501 VanDerWaalsContact CB-CE3 3.49Å; A328-W501 HydrophobicContact CB-CG 3.93Å; A328-W501 HydrophobicContact CB-CZ3 4.27Å |
| 329 | G | 88.6 | Confident | 89.3 | Confident | 3 Ų | 3 | 19.1 Ų | 19.1 | 3% | 0.031 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.1 | -56.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113 | K327 V331 K332 D333 S499 | K327-G329 PolarHBondContact O-N 2.81Å; K327-G329 VanDerWaalsContact O-N 3.13Å; G329-V331 PolarHBondContact O-N 2.62Å; G329-K332 WeakPolarHBondContact O-CA 3.35Å; G329-K332 WeakPolarHBondContact O-CB 3.46Å; G329-K332 PolarHBondContact O-N 2.79Å; G329-D333 PolarHBondContact O-N 2.83Å; G329-S499 WeakPolarHBondContact CA-O 3.5Å |
| 330 | A | 90.8 | Very high | 89.4 | Confident | 4 Ų | 4 | 25.7 Ų | 25.7 | 3% | 0.033 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.7 | -33.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | F274 K327 Y334 L495 A498 | F274-A330 HydrophobicContact CD2-CB 3.89Å; F274-A330 HydrophobicContact CE2-CB 3.36Å; F274-A330 HydrophobicContact CZ-CB 3.87Å; K327-A330 PolarHBondContact O-N 3.19Å; A330-Y334 WeakPolarHBondContact O-CB 3.21Å; A330-Y334 PolarHBondContact O-N 2.72Å; A330-L495 HydrophobicContact CB-CB 4.42Å; A330-A498 HydrophobicContact CB-CB 3.99Å |
| 331 | V | 93 | Very high | 88.8 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -67.7 | -41.7 | 172.9 | 174.6 | 0 | 0 | 0 | 0 | 111.6 | K327 G329 Y334 I335 M355 A420 L450 | K327-V331 HydrophobicContact CB-CG2 4.3Å; K327-V331 WeakPolarHBondContact O-CG2 3.43Å; K327-V331 PolarHBondContact O-N 3.16Å; G329-V331 PolarHBondContact O-N 2.62Å; V331-Y334 PolarHBondContact O-N 3.12Å; V331-I335 HydrophobicContact CG1-CD1 3.8Å; V331-I335 HydrophobicContact CG1-CG1 4.5Å; V331-I335 WeakPolarHBondContact O-CD1 3.41Å; V331-I335 VanDerWaalsContact O-CG1 3.25Å; V331-I335 WeakPolarHBondContact O-CG1 3.42Å; V331-I335 PolarHBondContact O-N 3.47Å; V331-M355 HydrophobicContact CB-CE 4.47Å; V331-M355 HydrophobicContact CB-SD 3.87Å; V331-M355 HydrophobicContact CG1-SD 3.75Å; V331-M355 HydrophobicContact CG2-CE 3.91Å; V331-M355 HydrophobicContact CG2-SD 3.9Å; V331-A420 HydrophobicContact CG1-CB 3.68Å; V331-A420 HydrophobicContact CG2-CB 4.11Å; V331-L450 HydrophobicContact CG2-CD1 3.93Å |
| 332 | K | 91.3 | Very high | 87.8 | Confident | 23 Ų | 23 | 30.8 Ų | 30.8 | 10% | 0.1 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.7 | -44.7 | 177 | 179 | 168.4 | -173.9 | 176 | 0 | 111.3 | A328 G329 I335 K336 E361 A362 E365 | A328-K332 VanDerWaalsContact O-CB 3.25Å; A328-K332 WeakPolarHBondContact O-CB 3.33Å; A328-K332 PolarHBondContact O-N 2.57Å; G329-K332 WeakPolarHBondContact O-CA 3.35Å; G329-K332 WeakPolarHBondContact O-CB 3.46Å; G329-K332 PolarHBondContact O-N 2.79Å; K332-I335 PolarHBondContact O-N 2.94Å; K332-K336 WeakPolarHBondContact O-CG 3.41Å; K332-K336 PolarHBondContact O-N 3.21Å; K332-K336 VanDerWaalsContact O-N 3.15Å; K332-E361 IonicContact NZ-OE2 2.68Å; K332-E361 PolarHBondContact NZ-OE2 3.37Å; K332-A362 HydrophobicContact CB-CB 4.4Å; K332-A362 HydrophobicContact CG-CB 3.89Å; K332-E365 WeakPolarHBondContact CE-OE1 3.42Å; K332-E365 WeakPolarHBondContact CE-OE2 3.34Å; K332-E365 IonicContact NZ-OE1 2.92Å; K332-E365 PolarHBondContact NZ-OE1 2.74Å; K332-E365 IonicContact NZ-OE2 2.79Å |
| 333 | D | 90.4 | Very high | 87.1 | Confident | 37 Ų | 37 | 37.5 Ų | 37.5 | 20% | 0.198 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -74 | -34.7 | 179 | -62.9 | -25.4 | 0 | 0 | 0 | 112.3 | G329 I335 K336 M337 A498 | G329-D333 PolarHBondContact O-N 2.83Å; D333-I335 PolarHBondContact O-N 3.49Å; D333-K336 PolarHBondContact O-N 3Å; D333-K336 IonicContact OD1-NZ 2.62Å; D333-M337 PolarHBondContact O-N 3.45Å; D333-A498 WeakPolarHBondContact OD2-CB 3.37Å |
| 334 | Y | 91.6 | Very high | 86.8 | Confident | 4 Ų | 4 | 39.6 Ų | 39.6 | 2% | 0.016 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59 | -44.6 | 169 | 179.5 | -88.3 | 0 | 0 | 0 | 112.2 | I272 A330 V331 K336 M337 V338 V418 H448 L450 W492 L495 | I272-Y334 HydrophobicContact CD1-CE2 3.67Å; A330-Y334 WeakPolarHBondContact O-CB 3.21Å; A330-Y334 PolarHBondContact O-N 2.72Å; V331-Y334 PolarHBondContact O-N 3.12Å; Y334-K336 VanDerWaalsContact C-N 3.33Å; Y334-K336 PolarHBondContact O-N 2.84Å; Y334-M337 HydrophobicContact CE2-CE 4.28Å; Y334-M337 PolarHBondContact O-N 2.78Å; Y334-V338 HydrophobicContact CD1-CG2 4.08Å; Y334-V338 HydrophobicContact CE1-CG2 3.43Å; Y334-V338 VanDerWaalsContact CE1-CG2 3.43Å; Y334-V338 HydrophobicContact CE2-CG2 4.3Å; Y334-V338 WeakPolarHBondContact O-CG2 3.25Å; Y334-V338 PolarHBondContact O-N 3.34Å; Y334-V418 HydrophobicContact CD1-CG1 4.03Å; Y334-V418 HydrophobicContact CE1-CB 4.36Å; Y334-V418 HydrophobicContact CE1-CG1 3.6Å; Y334-V418 HydrophobicContact CE1-CG2 3.77Å; Y334-H448 PolarHBondContact OH-ND1 3.36Å; Y334-L450 HydrophobicContact CD1-CD1 3.94Å; Y334-L450 HydrophobicContact CD1-CD2 4.39Å; Y334-L450 HydrophobicContact CD2-CD2 4Å; Y334-L450 HydrophobicContact CE1-CD2 4.43Å; Y334-L450 HydrophobicContact CE2-CD2 4.02Å; Y334-L450 HydrophobicContact CG-CD1 4.04Å; Y334-L450 HydrophobicContact CG-CD2 4.2Å; Y334-W492 HydrophobicContact CD2-CZ3 4.24Å; Y334-W492 HydrophobicContact CE2-CE3 4.23Å; Y334-W492 HydrophobicContact CE2-CH2 4.04Å; Y334-W492 AromaticContact CE2-CZ3 3.65Å; Y334-W492 HydrophobicContact CE2-CZ3 3.65Å; Y334-L495 HydrophobicContact CD2-CD1 4.17Å; Y334-L495 HydrophobicContact CD2-CD2 4.26Å |
| 335 | I | 91.9 | Very high | 87 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.6 | -37 | 179.9 | -71 | 165.3 | 0 | 0 | 0 | 111.3 | V331 K332 D333 V338 L339 F346 V348 C359 A362 | V331-I335 HydrophobicContact CG1-CD1 3.8Å; V331-I335 HydrophobicContact CG1-CG1 4.5Å; V331-I335 WeakPolarHBondContact O-CD1 3.41Å; V331-I335 VanDerWaalsContact O-CG1 3.25Å; V331-I335 WeakPolarHBondContact O-CG1 3.42Å; V331-I335 PolarHBondContact O-N 3.47Å; K332-I335 PolarHBondContact O-N 2.94Å; D333-I335 PolarHBondContact O-N 3.49Å; I335-V338 PolarHBondContact O-N 3.25Å; I335-L339 HydrophobicContact CG2-CD1 4.1Å; I335-L339 WeakPolarHBondContact O-CB 3.5Å; I335-L339 WeakPolarHBondContact O-CG 3.26Å; I335-L339 PolarHBondContact O-N 3.29Å; I335-F346 HydrophobicContact CG2-CE2 4.4Å; I335-F346 HydrophobicContact CG2-CZ 4.16Å; I335-V348 HydrophobicContact CD1-CG1 4Å; I335-V348 HydrophobicContact CD1-CG2 4.13Å; I335-V348 HydrophobicContact CG1-CG2 4.22Å; I335-C359 HydrophobicContact CD1-CB 3.72Å; I335-C359 VanDerWaalsContact CD1-SG 3.53Å; I335-A362 HydrophobicContact CB-CB 3.82Å; I335-A362 HydrophobicContact CD1-CB 4.46Å; I335-A362 HydrophobicContact CG2-CB 3.57Å |
| 336 | K | 90.7 | Very high | 87.3 | Confident | 45 Ų | 45 | 38.6 Ų | 38.6 | 20% | 0.196 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.2 | -49.6 | 171.7 | -70.5 | 171.3 | -178.2 | 173.4 | 0 | 111.5 | K332 D333 Y334 V338 L339 E340 E365 | K332-K336 WeakPolarHBondContact O-CG 3.41Å; K332-K336 PolarHBondContact O-N 3.21Å; K332-K336 VanDerWaalsContact O-N 3.15Å; D333-K336 PolarHBondContact O-N 3Å; D333-K336 IonicContact OD1-NZ 2.62Å; Y334-K336 VanDerWaalsContact C-N 3.33Å; Y334-K336 PolarHBondContact O-N 2.84Å; K336-V338 VanDerWaalsContact C-N 3.31Å; K336-V338 PolarHBondContact O-N 2.95Å; K336-L339 CarbonylContact O-C 3.6Å; K336-L339 WeakPolarHBondContact O-CA 3.45Å; K336-L339 WeakPolarHBondContact O-CB 3.4Å; K336-L339 PolarHBondContact O-N 3.37Å; K336-E340 WeakPolarHBondContact O-CG 3.48Å; K336-E340 PolarHBondContact O-N 3.06Å; K336-E365 WeakPolarHBondContact CE-OE2 3.14Å; K336-E365 IonicContact NZ-OE2 3.29Å; K336-E365 PolarHBondContact NZ-OE2 3.46Å |
| 337 | M | 89.5 | Confident | 87.6 | Confident | 49 Ų | 49 | 37.9 Ų | 37.9 | 24% | 0.241 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.9 | -36.6 | 177.8 | -177 | -124.9 | 58.2 | 0 | 0 | 112.8 | D333 Y334 L339 A341 W492 F494 | D333-M337 PolarHBondContact O-N 3.45Å; Y334-M337 HydrophobicContact CE2-CE 4.28Å; Y334-M337 PolarHBondContact O-N 2.78Å; M337-L339 VanDerWaalsContact C-N 3.32Å; M337-A341 PolarHBondContact O-N 3.38Å; M337-A341 VanDerWaalsContact O-N 3.11Å; M337-W492 HydrophobicContact CE-CZ3 3.93Å; M337-W492 HydrophobicContact SD-CZ3 3.81Å; M337-F494 HydrophobicContact CB-CE2 4.22Å; M337-F494 HydrophobicContact CB-CZ 3.84Å; M337-F494 HydrophobicContact CG-CE1 4.33Å; M337-F494 HydrophobicContact CG-CZ 3.81Å; M337-F494 HydrophobicContact SD-CE1 3.75Å; M337-F494 HydrophobicContact SD-CZ 3.57Å; M337-F494 VanDerWaalsContact SD-CZ 3.57Å |
| 338 | V | 89.4 | Confident | 87.9 | Confident | 8 Ų | 8 | 37.9 Ų | 37.9 | 5% | 0.048 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -72.2 | -25.2 | 173.4 | -177.6 | 0 | 0 | 0 | 0 | 112.4 | Y334 I335 K336 F346 | Y334-V338 HydrophobicContact CD1-CG2 4.08Å; Y334-V338 HydrophobicContact CE1-CG2 3.43Å; Y334-V338 VanDerWaalsContact CE1-CG2 3.43Å; Y334-V338 HydrophobicContact CE2-CG2 4.3Å; Y334-V338 WeakPolarHBondContact O-CG2 3.25Å; Y334-V338 PolarHBondContact O-N 3.34Å; I335-V338 PolarHBondContact O-N 3.25Å; K336-V338 VanDerWaalsContact C-N 3.31Å; K336-V338 PolarHBondContact O-N 2.95Å; V338-F346 HydrophobicContact CB-CE1 4.1Å; V338-F346 HydrophobicContact CB-CE2 4.34Å; V338-F346 HydrophobicContact CB-CZ 3.92Å; V338-F346 HydrophobicContact CG1-CD1 3.6Å; V338-F346 HydrophobicContact CG1-CD2 4.18Å; V338-F346 HydrophobicContact CG1-CE1 3.49Å; V338-F346 VanDerWaalsContact CG1-CE1 3.49Å; V338-F346 HydrophobicContact CG1-CE2 4.08Å; V338-F346 HydrophobicContact CG1-CG 3.95Å; V338-F346 HydrophobicContact CG1-CZ 3.73Å |
| 339 | L | 88.9 | Confident | 88.2 | Confident | 8 Ų | 8 | 37.9 Ų | 37.9 | 4% | 0.042 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -80.9 | -31.2 | 173.4 | -78.4 | 169.7 | 0 | 0 | 0 | 113.2 | I335 K336 M337 A341 F346 A366 A368 R396 V397 | I335-L339 HydrophobicContact CG2-CD1 4.1Å; I335-L339 WeakPolarHBondContact O-CB 3.5Å; I335-L339 WeakPolarHBondContact O-CG 3.26Å; I335-L339 PolarHBondContact O-N 3.29Å; K336-L339 CarbonylContact O-C 3.6Å; K336-L339 WeakPolarHBondContact O-CA 3.45Å; K336-L339 WeakPolarHBondContact O-CB 3.4Å; K336-L339 PolarHBondContact O-N 3.37Å; M337-L339 VanDerWaalsContact C-N 3.32Å; L339-A341 VanDerWaalsContact C-N 3.32Å; L339-F346 HydrophobicContact CD2-CE1 3.9Å; L339-F346 HydrophobicContact CD2-CZ 4.36Å; L339-F346 HydrophobicContact CG-CE1 4.01Å; L339-F346 HydrophobicContact CG-CZ 4.04Å; L339-A366 HydrophobicContact CB-CB 4.26Å; L339-A366 HydrophobicContact CD1-CB 3.66Å; L339-A368 HydrophobicContact CD1-CB 3.81Å; L339-A368 HydrophobicContact CD2-CB 3.55Å; L339-A368 HydrophobicContact CG-CB 4.29Å; L339-R396 HydrophobicContact CD2-CB 4.2Å; L339-R396 VanDerWaalsContact O-CZ 3.28Å; L339-R396 PolarHBondContact O-NH1 3.3Å; L339-R396 PolarHBondContact O-NH2 3.09Å; L339-V397 HydrophobicContact CD1-CG2 4.09Å; L339-V397 HydrophobicContact CD2-CG2 3.65Å; L339-V397 HydrophobicContact CG-CG2 4.17Å |
| 340 | E | 85.9 | Confident | 88.4 | Confident | 143 Ų | 143 | 37.7 Ų | 37.7 | 67% | 0.668 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -71.5 | -29.5 | 173.1 | -72 | 158.5 | -162.4 | 0 | 0 | 111.4 | K336 | K336-E340 WeakPolarHBondContact O-CG 3.48Å; K336-E340 PolarHBondContact O-N 3.06Å |
| 341 | A | 75 | Confident | 88.5 | Confident | 43 Ų | 43 | 40 Ų | 40 | 36% | 0.355 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -65.5 | 131.4 | 163.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | M337 L339 R396 | M337-A341 PolarHBondContact O-N 3.38Å; M337-A341 VanDerWaalsContact O-N 3.11Å; L339-A341 VanDerWaalsContact C-N 3.32Å; A341-R396 PolarHBondContact O-NH1 3.42Å |
| 342 | E | 66.1 | Low | 88.3 | Confident | 169 Ų | 169 | 41.7 Ų | 41.7 | 79% | 0.79 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -68.6 | 152 | -170.8 | -63.4 | -168.8 | 161.6 | 0 | 0 | 114.4 | L344 | E342-L344 PolarHBondContact O-N 3.45Š|
| 343 | Q | 71.2 | Confident | 88 | Confident | 176 Ų | 176 | 45.8 Ų | 45.8 | 82% | 0.822 | 23% | 0.227 | S | C | * | . | S | Bend | trans | 56.4 | -1.9 | 163.7 | -64.4 | -67.4 | -6.9 | 0 | 0 | 118.8 | ||
| 344 | L | 83.9 | Confident | 87.8 | Confident | 50 Ų | 50 | 46.1 Ų | 46.1 | 26% | 0.262 | 23% | 0.23 | S | C | . | . | trans | -80.6 | 130.8 | -178.6 | -66.6 | 178.3 | 0 | 0 | 0 | 113.3 | E342 | E342-L344 PolarHBondContact O-N 3.45Š| ||
| 345 | K | 92.1 | Very high | 87.8 | Confident | 32 Ų | 32 | 46 Ų | 46 | 14% | 0.139 | 23% | 0.229 | C | C | . | . | trans | -97.1 | 132.3 | 163.8 | -71.4 | -162.7 | 168.4 | -174.2 | 0 | 110.9 | F389 D392 T395 R396 A413 A414 S415 | K345-F389 HydrophobicContact CB-CZ 4.1Å; K345-F389 PolarHBondContact NZ-O 3.19Å; K345-D392 PolarHBondContact NZ-O 3.5Å; K345-T395 WeakPolarHBondContact CE-O 3.34Å; K345-R396 WeakPolarHBondContact CA-O 3.17Å; K345-A413 WeakPolarHBondContact CB-O 3.27Å; K345-A413 HydrophobicContact CD-CB 4.4Å; K345-A414 WeakPolarHBondContact O-CA 3.32Å; K345-S415 PolarHBondContact O-N 2.93Å; K345-S415 VanDerWaalsContact O-N 3.16Å | ||
| 346 | F | 94.1 | Very high | 87.7 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 155.5 | -173.9 | 68.8 | -82.3 | 0 | 0 | 0 | 115.2 | I335 V338 L339 V348 R396 V397 A398 H416 V418 | I335-F346 HydrophobicContact CG2-CE2 4.4Å; I335-F346 HydrophobicContact CG2-CZ 4.16Å; V338-F346 HydrophobicContact CB-CE1 4.1Å; V338-F346 HydrophobicContact CB-CE2 4.34Å; V338-F346 HydrophobicContact CB-CZ 3.92Å; V338-F346 HydrophobicContact CG1-CD1 3.6Å; V338-F346 HydrophobicContact CG1-CD2 4.18Å; V338-F346 HydrophobicContact CG1-CE1 3.49Å; V338-F346 VanDerWaalsContact CG1-CE1 3.49Å; V338-F346 HydrophobicContact CG1-CE2 4.08Å; V338-F346 HydrophobicContact CG1-CG 3.95Å; V338-F346 HydrophobicContact CG1-CZ 3.73Å; L339-F346 HydrophobicContact CD2-CE1 3.9Å; L339-F346 HydrophobicContact CD2-CZ 4.36Å; L339-F346 HydrophobicContact CG-CE1 4.01Å; L339-F346 HydrophobicContact CG-CZ 4.04Å; F346-V348 HydrophobicContact CD2-CG2 3.72Å; F346-V348 HydrophobicContact CE2-CG2 3.51Å; F346-R396 PolarHBondContact N-O 2.9Å; F346-V397 HydrophobicContact CD1-CG2 4.5Å; F346-V397 HydrophobicContact CD2-CG1 4.28Å; F346-V397 HydrophobicContact CE1-CG2 3.77Å; F346-V397 HydrophobicContact CE2-CG1 3.87Å; F346-V397 HydrophobicContact CE2-CG2 4.44Å; F346-V397 HydrophobicContact CZ-CB 4.49Å; F346-V397 HydrophobicContact CZ-CG1 4.02Å; F346-V397 HydrophobicContact CZ-CG2 3.75Å; F346-A398 PolarHBondContact O-N 3.1Å; F346-H416 VanDerWaalsContact CA-O 3.27Å; F346-H416 WeakPolarHBondContact CA-O 3.39Å; F346-H416 HydrophobicContact CB-CB 3.77Å; F346-H416 WeakPolarHBondContact CB-O 3.18Å; F346-V418 HydrophobicContact CD2-CG2 4.09Å |
| 347 | L | 95.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 136.4 | 175.6 | -46.3 | -175 | 0 | 0 | 0 | 109.9 | F349 F389 A398 L400 F411 A414 H416 V417 V418 A436 | L347-F349 HydrophobicContact CB-CD2 4.35Å; L347-F349 HydrophobicContact CB-CE2 3.94Å; L347-F349 HydrophobicContact CD1-CE2 3.87Å; L347-F349 HydrophobicContact CD1-CZ 4.18Å; L347-F389 HydrophobicContact CD2-CE1 3.95Å; L347-F389 HydrophobicContact CD2-CE2 4.48Å; L347-F389 HydrophobicContact CD2-CZ 3.78Å; L347-A398 HydrophobicContact CD2-CB 3.69Å; L347-L400 HydrophobicContact CB-CD1 4.29Å; L347-L400 HydrophobicContact CD1-CD1 4.33Å; L347-L400 HydrophobicContact CD2-CD1 4.25Å; L347-F411 HydrophobicContact CD1-CB 3.95Å; L347-F411 HydrophobicContact CD1-CD2 4.1Å; L347-F411 HydrophobicContact CD1-CG 4.27Å; L347-F411 HydrophobicContact CD2-CB 3.8Å; L347-F411 HydrophobicContact CD2-CD1 4.26Å; L347-F411 HydrophobicContact CD2-CD2 4.33Å; L347-F411 HydrophobicContact CD2-CG 3.92Å; L347-F411 HydrophobicContact CG-CB 4.49Å; L347-A414 HydrophobicContact CD1-CB 4.41Å; L347-A414 HydrophobicContact CD2-CB 3.64Å; L347-A414 HydrophobicContact CG-CB 3.72Å; L347-H416 PolarHBondContact N-O 2.63Å; L347-V417 HydrophobicContact CD1-CG2 4.2Å; L347-V417 HydrophobicContact CG-CG2 4.42Å; L347-V418 PolarHBondContact O-N 3.34Å; L347-A436 HydrophobicContact CD1-CB 4.07Å |
| 348 | V | 95.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 115.6 | 171.4 | -176.9 | 0 | 0 | 0 | 0 | 108.9 | I335 F346 C359 V397 A398 L400 V418 A420 | I335-V348 HydrophobicContact CD1-CG1 4Å; I335-V348 HydrophobicContact CD1-CG2 4.13Å; I335-V348 HydrophobicContact CG1-CG2 4.22Å; F346-V348 HydrophobicContact CD2-CG2 3.72Å; F346-V348 HydrophobicContact CE2-CG2 3.51Å; V348-C359 HydrophobicContact CG1-CB 4.35Å; V348-V397 HydrophobicContact CG2-CG1 3.87Å; V348-A398 PolarHBondContact N-O 2.61Å; V348-L400 PolarHBondContact O-N 2.89Å; V348-V418 CarbonylContact C-O 3.49Å; V348-V418 WeakPolarHBondContact CA-O 3.36Å; V348-V418 HydrophobicContact CG2-CB 4.45Å; V348-A420 HydrophobicContact CG1-CB 4.33Å |
| 349 | F | 95.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 124.4 | 179.6 | -78.5 | -69.9 | 0 | 0 | 0 | 111.7 | L347 L400 I402 A405 V417 V418 F419 A420 A432 | L347-F349 HydrophobicContact CB-CD2 4.35Å; L347-F349 HydrophobicContact CB-CE2 3.94Å; L347-F349 HydrophobicContact CD1-CE2 3.87Å; L347-F349 HydrophobicContact CD1-CZ 4.18Å; F349-L400 WeakPolarHBondContact CA-O 3.5Å; F349-L400 HydrophobicContact CD1-CB 3.65Å; F349-L400 HydrophobicContact CD1-CD1 4.45Å; F349-L400 HydrophobicContact CE1-CB 3.54Å; F349-L400 HydrophobicContact CE1-CD1 3.66Å; F349-L400 HydrophobicContact CE1-CG 4.26Å; F349-L400 HydrophobicContact CE2-CD1 4.33Å; F349-L400 HydrophobicContact CG-CB 4.49Å; F349-L400 HydrophobicContact CZ-CB 4.3Å; F349-L400 HydrophobicContact CZ-CD1 3.58Å; F349-I402 HydrophobicContact CB-CD1 4.48Å; F349-I402 HydrophobicContact CB-CG1 3.79Å; F349-I402 HydrophobicContact CD1-CG1 4.25Å; F349-I402 HydrophobicContact CG-CG1 4.42Å; F349-A405 HydrophobicContact CE1-CB 4.41Å; F349-V417 HydrophobicContact CD2-CG1 3.63Å; F349-V417 HydrophobicContact CE2-CG1 3.76Å; F349-V418 PolarHBondContact N-O 2.86Å; F349-F419 HydrophobicContact CB-CD1 3.71Å; F349-F419 HydrophobicContact CB-CE1 3.81Å; F349-F419 HydrophobicContact CB-CG 4.42Å; F349-F419 HydrophobicContact CD2-CE1 4.24Å; F349-F419 HydrophobicContact CD2-CZ 4.26Å; F349-F419 HydrophobicContact CG-CE1 4.15Å; F349-A420 PolarHBondContact O-N 3.49Å; F349-A432 HydrophobicContact CD1-CB 4.01Å; F349-A432 HydrophobicContact CD2-CB 4.04Å; F349-A432 HydrophobicContact CE1-CB 3.75Å; F349-A432 HydrophobicContact CE2-CB 3.79Å; F349-A432 HydrophobicContact CG-CB 4.15Å; F349-A432 HydrophobicContact CZ-CB 3.64Å |
| 350 | A | 93.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 169.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | M355 L356 L400 S401 I402 A420 | A350-M355 HydrophobicContact CB-CB 4.08Å; A350-M355 HydrophobicContact CB-CG 3.66Å; A350-L356 HydrophobicContact CB-CD2 3.84Å; A350-L356 HydrophobicContact CB-CG 3.96Å; A350-L400 PolarHBondContact N-O 2.89Å; A350-L400 VanDerWaalsContact N-O 3.09Å; A350-S401 CarbonylContact O-C 3.48Å; A350-S401 WeakPolarHBondContact O-CA 3.34Å; A350-I402 WeakPolarHBondContact O-CG1 3.48Å; A350-I402 PolarHBondContact O-N 2.85Å; A350-A420 HydrophobicContact CB-CB 4.42Å |
| 351 | H | 91.5 | Very high | 87.6 | Confident | 51 Ų | 51 | 35.3 Ų | 35.3 | 24% | 0.236 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -113.6 | -48 | 179.3 | -176.9 | 54.2 | 0 | 0 | 0 | 112.3 | Y320 I402 Q403 E421 Y423 | Y320-H351 AromaticContact CE1-CD2 3.41Å; Y320-H351 VanDerWaalsContact CE1-CD2 3.41Å; Y320-H351 WeakPolarHBondContact CE1-CD2 3.41Å; Y320-H351 AromaticContact CZ-CD2 3.83Å; H351-I402 HydrophobicContact CB-CD1 4.45Å; H351-Q403 PolarHBondContact CE1-OE1 3.45Å; H351-Q403 VanDerWaalsContact CE1-OE1 3.31Å; H351-E421 PolarHBondContact N-OE2 3.36Å; H351-Y423 AromaticContact CE1-CE2 3.96Å; H351-Y423 AromaticContact ND1-CE2 3.98Å |
| 352 | H | 88.8 | Confident | 88.3 | Confident | 36 Ų | 36 | 33.2 Ų | 33.2 | 17% | 0.167 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -84 | 142.8 | -177.1 | -67 | 98.2 | 0 | 0 | 0 | 111.9 | Y320 A324 T354 M355 L356 E421 | Y320-H352 AromaticContact CD1-CE1 3.64Å; Y320-H352 AromaticContact CE1-CE1 3.77Å; A324-H352 HydrophobicContact CB-CB 4.45Å; H352-T354 PolarHBondContact O-N 2.85Å; H352-M355 PolarHBondContact O-N 2.9Å; H352-L356 PolarHBondContact O-N 3.14Å; H352-E421 IonicContact CE1-OE1 3.6Å; H352-E421 IonicContact CG-OE1 3.66Å; H352-E421 PolarHBondContact N-OE2 2.86Å; H352-E421 IonicContact ND1-OE1 2.78Å; H352-E421 PolarHBondContact ND1-OE1 3.02Å; H352-E421 IonicContact ND1-OE2 3.73Å |
| 353 | L | 86.6 | Confident | 89.3 | Confident | 110 Ų | 110 | 25.2 Ų | 25.2 | 58% | 0.576 | 12% | 0.124 | S | C | * | . | H | α-helix | trans | -61.2 | -32.1 | 177.1 | -66.1 | 176 | 0 | 0 | 0 | 112.6 | L356 Q357 D374 | L353-L356 HydrophobicContact CD2-CD1 4.14Å; L353-L356 PolarHBondContact O-N 3.42Å; L353-Q357 WeakPolarHBondContact O-CB 3.39Å; L353-Q357 PolarHBondContact O-N 3.09Å; L353-D374 HydrophobicContact CD2-CB 4.39Å |
| 354 | T | 86.4 | Confident | 90 | Very high | 44 Ų | 44 | 18.3 Ų | 18.3 | 27% | 0.27 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -62.7 | -44.1 | 174.4 | 46.1 | 0 | 0 | 0 | 0 | 112.3 | H352 Q357 A358 W501 | H352-T354 PolarHBondContact O-N 2.85Å; T354-Q357 WeakPolarHBondContact O-CB 3.21Å; T354-Q357 PolarHBondContact O-N 3.3Å; T354-A358 PolarHBondContact O-N 2.84Å; T354-W501 WeakPolarHBondContact O-CH2 3.44Å |
| 355 | M | 90.6 | Very high | 90 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -66.5 | -43.5 | 175.7 | -176.4 | 63.1 | 79.7 | 0 | 0 | 111.2 | A324 K327 A328 V331 A350 H352 Q357 A358 C359 A420 E421 | A324-M355 HydrophobicContact CB-CE 4.39Å; A324-M355 WeakPolarHBondContact O-CE 3.47Å; K327-M355 HydrophobicContact CB-CE 3.95Å; A328-M355 HydrophobicContact CB-CE 4.49Å; A328-M355 HydrophobicContact CB-SD 4.37Å; V331-M355 HydrophobicContact CB-CE 4.47Å; V331-M355 HydrophobicContact CB-SD 3.87Å; V331-M355 HydrophobicContact CG1-SD 3.75Å; V331-M355 HydrophobicContact CG2-CE 3.91Å; V331-M355 HydrophobicContact CG2-SD 3.9Å; A350-M355 HydrophobicContact CB-CB 4.08Å; A350-M355 HydrophobicContact CB-CG 3.66Å; H352-M355 PolarHBondContact O-N 2.9Å; M355-Q357 PolarHBondContact O-N 3.41Å; M355-A358 PolarHBondContact O-N 3.46Å; M355-C359 PolarHBondContact O-N 3.04Å; M355-C359 PolarHBondContact O-SG 3.46Å; M355-A420 HydrophobicContact CG-CB 3.95Å; M355-A420 HydrophobicContact SD-CB 4.08Å; M355-E421 HydrophobicContact CB-CG 4.44Å; M355-E421 VanDerWaalsContact CB-OE2 3.31Å; M355-E421 WeakPolarHBondContact CB-OE2 3.47Å; M355-E421 HydrophobicContact CE-CG 4.09Å; M355-E421 HydrophobicContact CG-CG 4.07Å |
| 356 | L | 89.7 | Confident | 89.7 | Confident | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -58.5 | -35.8 | 174.1 | -69.1 | 163 | 0 | 0 | 0 | 111.5 | A350 H352 L353 T360 D374 I399 | A350-L356 HydrophobicContact CB-CD2 3.84Å; A350-L356 HydrophobicContact CB-CG 3.96Å; H352-L356 PolarHBondContact O-N 3.14Å; L353-L356 HydrophobicContact CD2-CD1 4.14Å; L353-L356 PolarHBondContact O-N 3.42Å; L356-T360 WeakPolarHBondContact O-CB 3.2Å; L356-T360 PolarHBondContact O-N 3.12Å; L356-T360 PolarHBondContact O-OG1 2.88Å; L356-D374 HydrophobicContact CD1-CB 4.08Å; L356-I399 HydrophobicContact CB-CG2 4.49Å; L356-I399 HydrophobicContact CD2-CG2 3.64Å |
| 357 | Q | 86 | Confident | 89.3 | Confident | 23 Ų | 23 | 29.9 Ų | 29.9 | 11% | 0.107 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68.5 | -47.6 | 174.6 | -163.5 | 62.7 | 27 | 0 | 0 | 112.2 | L353 T354 M355 C359 T360 E361 D994 | L353-Q357 WeakPolarHBondContact O-CB 3.39Å; L353-Q357 PolarHBondContact O-N 3.09Å; T354-Q357 WeakPolarHBondContact O-CB 3.21Å; T354-Q357 PolarHBondContact O-N 3.3Å; M355-Q357 PolarHBondContact O-N 3.41Å; Q357-C359 VanDerWaalsContact C-N 3.28Å; Q357-C359 PolarHBondContact O-N 3.37Å; Q357-T360 CarbonylContact O-C 3.55Å; Q357-T360 WeakPolarHBondContact O-CA 3.22Å; Q357-T360 WeakPolarHBondContact O-CB 3.32Å; Q357-T360 PolarHBondContact O-N 3.11Å; Q357-E361 PolarHBondContact O-N 3.12Å; Q357-D994 PolarHBondContact NE2-O 2.93Å |
| 358 | A | 88.4 | Confident | 88.9 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.7 | -39.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A328 T354 M355 T360 E361 A362 W501 | A328-A358 HydrophobicContact CB-CB 3.86Å; T354-A358 PolarHBondContact O-N 2.84Å; M355-A358 PolarHBondContact O-N 3.46Å; A358-T360 VanDerWaalsContact C-N 3.32Å; A358-T360 PolarHBondContact O-N 2.92Å; A358-E361 PolarHBondContact O-N 2.66Å; A358-A362 PolarHBondContact O-N 3.29Å; A358-W501 HydrophobicContact CB-CD2 3.94Å; A358-W501 HydrophobicContact CB-CE3 4.44Å; A358-W501 HydrophobicContact CB-CG 4.35Å; A358-W501 HydrophobicContact CB-CH2 4.34Å; A358-W501 HydrophobicContact CB-CZ2 3.85Å |
| 359 | C | 91.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65 | -35.2 | 172.7 | -61.3 | 0 | 0 | 0 | 0 | 112.4 | I335 V348 M355 Q357 A362 A363 I399 | I335-C359 HydrophobicContact CD1-CB 3.72Å; I335-C359 VanDerWaalsContact CD1-SG 3.53Å; V348-C359 HydrophobicContact CG1-CB 4.35Å; M355-C359 PolarHBondContact O-N 3.04Å; M355-C359 PolarHBondContact O-SG 3.46Å; Q357-C359 VanDerWaalsContact C-N 3.28Å; Q357-C359 PolarHBondContact O-N 3.37Å; C359-A362 WeakPolarHBondContact O-CB 3.46Å; C359-A363 PolarHBondContact O-N 3.27Å; C359-I399 HydrophobicContact CB-CD1 4.19Å; C359-I399 HydrophobicContact CB-CG1 4.34Å; C359-I399 HydrophobicContact CB-CG2 3.99Å; C359-I399 WeakPolarHBondContact O-CD1 3.19Å |
| 360 | T | 89.6 | Confident | 88.2 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -71.4 | -42.4 | 178.4 | -55.8 | 0 | 0 | 0 | 0 | 110.7 | L356 Q357 A358 A362 A363 I364 Y370 | L356-T360 WeakPolarHBondContact O-CB 3.2Å; L356-T360 PolarHBondContact O-N 3.12Å; L356-T360 PolarHBondContact O-OG1 2.88Å; Q357-T360 CarbonylContact O-C 3.55Å; Q357-T360 WeakPolarHBondContact O-CA 3.22Å; Q357-T360 WeakPolarHBondContact O-CB 3.32Å; Q357-T360 PolarHBondContact O-N 3.11Å; A358-T360 VanDerWaalsContact C-N 3.32Å; A358-T360 PolarHBondContact O-N 2.92Å; T360-A362 VanDerWaalsContact C-N 3.34Å; T360-A362 PolarHBondContact O-N 3.05Å; T360-A363 PolarHBondContact O-N 3.17Å; T360-I364 HydrophobicContact CG2-CD1 3.87Å; T360-I364 VanDerWaalsContact O-CG1 3.29Å; T360-I364 WeakPolarHBondContact O-CG1 3.43Å; T360-I364 PolarHBondContact O-N 2.73Å; T360-Y370 HydrophobicContact CG2-CE2 3.76Å |
| 361 | E | 87.4 | Confident | 88.1 | Confident | 6 Ų | 6 | 34.2 Ų | 34.2 | 3% | 0.028 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.4 | -43 | 171.8 | -71.4 | 176 | -170.1 | 0 | 0 | 112 | K332 Q357 A358 A363 I364 E365 W501 S504 P996 | K332-E361 IonicContact NZ-OE2 2.68Å; K332-E361 PolarHBondContact NZ-OE2 3.37Å; Q357-E361 PolarHBondContact O-N 3.12Å; A358-E361 PolarHBondContact O-N 2.66Å; E361-A363 PolarHBondContact O-N 2.69Å; E361-I364 PolarHBondContact O-N 2.75Å; E361-E365 WeakPolarHBondContact O-CB 3.49Å; E361-E365 WeakPolarHBondContact O-CG 3.41Å; E361-E365 PolarHBondContact O-N 2.74Å; E361-W501 PolarHBondContact OE2-NE1 3.36Å; E361-S504 PolarHBondContact OE1-OG 2.95Å; E361-P996 HydrophobicContact CG-CG 3.61Å |
| 362 | A | 88.9 | Confident | 88 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -55.6 | -48.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | K332 I335 A358 C359 T360 E365 A366 | K332-A362 HydrophobicContact CB-CB 4.4Å; K332-A362 HydrophobicContact CG-CB 3.89Å; I335-A362 HydrophobicContact CB-CB 3.82Å; I335-A362 HydrophobicContact CD1-CB 4.46Å; I335-A362 HydrophobicContact CG2-CB 3.57Å; A358-A362 PolarHBondContact O-N 3.29Å; C359-A362 WeakPolarHBondContact O-CB 3.46Å; T360-A362 VanDerWaalsContact C-N 3.34Å; T360-A362 PolarHBondContact O-N 3.05Å; A362-E365 PolarHBondContact O-N 3.35Å; A362-A366 WeakPolarHBondContact O-CB 3.41Å; A362-A366 PolarHBondContact O-N 3.22Å |
| 363 | A | 87.9 | Confident | 87.9 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.6 | -38.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | C359 T360 E361 A366 K367 A368 Y370 | C359-A363 PolarHBondContact O-N 3.27Å; T360-A363 PolarHBondContact O-N 3.17Å; E361-A363 PolarHBondContact O-N 2.69Å; A363-A366 CarbonylContact O-C 3.59Å; A363-K367 PolarHBondContact O-N 3.09Å; A363-K367 VanDerWaalsContact O-N 3.13Å; A363-A368 PolarHBondContact O-N 3.28Å; A363-Y370 HydrophobicContact CB-CD1 3.97Å; A363-Y370 HydrophobicContact CB-CG 4.15Å |
| 364 | I | 85.3 | Confident | 87.9 | Confident | 31 Ų | 31 | 26.2 Ų | 26.2 | 16% | 0.159 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.2 | -40.6 | 176.8 | -72.2 | 170.8 | 0 | 0 | 0 | 111.8 | T360 E361 K367 Y370 K999 | T360-I364 HydrophobicContact CG2-CD1 3.87Å; T360-I364 VanDerWaalsContact O-CG1 3.29Å; T360-I364 WeakPolarHBondContact O-CG1 3.43Å; T360-I364 PolarHBondContact O-N 2.73Å; E361-I364 PolarHBondContact O-N 2.75Å; I364-K367 PolarHBondContact O-N 3.34Å; I364-Y370 HydrophobicContact CD1-CE1 4.31Å; I364-Y370 HydrophobicContact CG1-CE1 3.7Å; I364-K999 HydrophobicContact CG2-CD 3.77Å |
| 365 | E | 85.4 | Confident | 87.5 | Confident | 91 Ų | 91 | 27 Ų | 27 | 43% | 0.425 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -68.5 | -42.2 | 177.3 | -76.3 | 168.6 | -157.3 | 0 | 0 | 111.5 | K332 K336 E361 A362 K367 | K332-E365 WeakPolarHBondContact CE-OE1 3.42Å; K332-E365 WeakPolarHBondContact CE-OE2 3.34Å; K332-E365 IonicContact NZ-OE1 2.92Å; K332-E365 PolarHBondContact NZ-OE1 2.74Å; K332-E365 IonicContact NZ-OE2 2.79Å; K336-E365 WeakPolarHBondContact CE-OE2 3.14Å; K336-E365 IonicContact NZ-OE2 3.29Å; K336-E365 PolarHBondContact NZ-OE2 3.46Å; E361-E365 WeakPolarHBondContact O-CB 3.49Å; E361-E365 WeakPolarHBondContact O-CG 3.41Å; E361-E365 PolarHBondContact O-N 2.74Å; A362-E365 PolarHBondContact O-N 3.35Å; E365-K367 PolarHBondContact O-N 2.89Å |
| 366 | A | 85.5 | Confident | 86.6 | Confident | 40 Ų | 40 | 30.3 Ų | 30.3 | 33% | 0.331 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | 3.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | L339 A362 A363 A368 | L339-A366 HydrophobicContact CB-CB 4.26Å; L339-A366 HydrophobicContact CD1-CB 3.66Å; A362-A366 WeakPolarHBondContact O-CB 3.41Å; A362-A366 PolarHBondContact O-N 3.22Å; A363-A366 CarbonylContact O-C 3.59Å; A366-A368 PolarHBondContact O-N 2.72Å |
| 367 | K | 86 | Confident | 85.9 | Confident | 194 Ų | 194 | 30.3 Ų | 30.3 | 84% | 0.843 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 23.2 | -178.7 | -57.1 | -179.6 | -178.7 | 176.8 | 0 | 114.8 | A363 I364 E365 | A363-K367 PolarHBondContact O-N 3.09Å; A363-K367 VanDerWaalsContact O-N 3.13Å; I364-K367 PolarHBondContact O-N 3.34Å; E365-K367 PolarHBondContact O-N 2.89Å |
| 368 | A | 85.4 | Confident | 84.9 | Confident | 14 Ų | 14 | 32.4 Ų | 32.4 | 12% | 0.116 | 19% | 0.192 | C | C | . | . | trans | -86.1 | 144.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L339 A363 A366 Y370 | L339-A368 HydrophobicContact CD1-CB 3.81Å; L339-A368 HydrophobicContact CD2-CB 3.55Å; L339-A368 HydrophobicContact CG-CB 4.29Å; A363-A368 PolarHBondContact O-N 3.28Å; A366-A368 PolarHBondContact O-N 2.72Å; A368-Y370 PolarHBondContact O-N 3.05Å | ||
| 369 | G | 86.8 | Confident | 83.9 | Confident | 23 Ų | 23 | 35.2 Ų | 35.2 | 24% | 0.237 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 133.8 | 170 | 0 | 0 | 0 | 0 | 0 | 111.1 | E394 T395 R396 V397 | G369-E394 WeakPolarHBondContact CA-O 3.4Å; G369-E394 PolarHBondContact N-O 3.02Å; G369-E394 VanDerWaalsContact N-O 3.15Å; G369-T395 CarbonylContact O-C 3.54Å; G369-T395 WeakPolarHBondContact O-CA 3.41Å; G369-R396 PolarHBondContact O-N 3.41Å; G369-V397 PolarHBondContact O-N 3.2Å |
| 370 | Y | 91.4 | Very high | 82.6 | Confident | 52 Ų | 52 | 39.1 Ų | 39.1 | 20% | 0.204 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 166.4 | 179 | 71 | -85.2 | 0 | 0 | 0 | 112.6 | T360 A363 I364 A368 V397 I399 | T360-Y370 HydrophobicContact CG2-CE2 3.76Å; A363-Y370 HydrophobicContact CB-CD1 3.97Å; A363-Y370 HydrophobicContact CB-CG 4.15Å; I364-Y370 HydrophobicContact CD1-CE1 4.31Å; I364-Y370 HydrophobicContact CG1-CE1 3.7Å; A368-Y370 PolarHBondContact O-N 3.05Å; Y370-V397 CarbonylContact C-O 3.58Å; Y370-V397 WeakPolarHBondContact CA-O 3.14Å; Y370-I399 HydrophobicContact CD2-CD1 4.12Å |
| 371 | I | 91.1 | Very high | 81.6 | Confident | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.015 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 155.7 | 159.4 | 61.4 | 163.5 | 0 | 0 | 0 | 110.1 | I373 L385 K388 F389 T395 V397 A398 I399 F411 | I371-I373 HydrophobicContact CD1-CD1 4.21Å; I371-L385 HydrophobicContact CB-CB 4.29Å; I371-L385 HydrophobicContact CB-CD2 4.27Å; I371-L385 HydrophobicContact CD1-CB 4.18Å; I371-L385 HydrophobicContact CG2-CB 4.18Å; I371-L385 HydrophobicContact CG2-CD2 3.95Å; I371-K388 HydrophobicContact CG2-CD 4.35Å; I371-F389 HydrophobicContact CD1-CB 3.68Å; I371-F389 HydrophobicContact CD1-CG 4.28Å; I371-F389 HydrophobicContact CG1-CB 4.13Å; I371-F389 HydrophobicContact CG1-CD2 4.38Å; I371-T395 HydrophobicContact CG2-CG2 3.9Å; I371-V397 PolarHBondContact N-O 2.83Å; I371-A398 HydrophobicContact CD1-CB 3.89Å; I371-A398 HydrophobicContact CG1-CB 3.7Å; I371-I399 PolarHBondContact O-N 3.35Å; I371-F411 HydrophobicContact CD1-CE1 4.02Å |
| 372 | R | 90.1 | Very high | 81.1 | Confident | 22 Ų | 22 | 41.4 Ų | 41.4 | 8% | 0.083 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 130 | 173.6 | 178.8 | 175.1 | 168.1 | 159 | -10.4 | 110 | D374 I399 | R372-D374 IonicContact CZ-OD2 3.14Å; R372-D374 IonicContact NE-OD2 2.69Å; R372-D374 PolarHBondContact NE-OD2 3.23Å; R372-D374 IonicContact NH2-OD2 2.78Å; R372-D374 PolarHBondContact NH2-OD2 3.37Å; R372-I399 CarbonylContact C-O 3.58Å; R372-I399 VanDerWaalsContact CA-O 3.32Å; R372-I399 WeakPolarHBondContact CA-O 3.27Å |
| 373 | I | 87 | Confident | 80.4 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 101.6 | 174.4 | -57.5 | -179.9 | 0 | 0 | 0 | 109.7 | I371 R382 L385 V386 I399 L400 S401 A405 L409 F411 | I371-I373 HydrophobicContact CD1-CD1 4.21Å; I373-R382 HydrophobicContact CD1-CB 4.38Å; I373-R382 HydrophobicContact CG2-CG 3.92Å; I373-L385 HydrophobicContact CD1-CB 4.18Å; I373-L385 HydrophobicContact CG1-CB 4.39Å; I373-L385 HydrophobicContact CG1-CD1 3.96Å; I373-V386 HydrophobicContact CD1-CG2 4.15Å; I373-I399 PolarHBondContact N-O 3.28Å; I373-L400 HydrophobicContact CB-CD2 3.8Å; I373-L400 HydrophobicContact CD1-CD2 4.1Å; I373-L400 HydrophobicContact CG1-CD2 4.08Å; I373-S401 PolarHBondContact O-N 3.28Å; I373-A405 HydrophobicContact CG2-CB 4.37Å; I373-L409 HydrophobicContact CD1-CD1 3.99Å; I373-F411 HydrophobicContact CD1-CZ 4.29Å |
| 374 | D | 85.9 | Confident | 79.8 | Confident | 6 Ų | 6 | 51.5 Ų | 51.5 | 3% | 0.032 | 30% | 0.296 | C | S | . | . | trans | -118.4 | -167 | 172.9 | 70.3 | 44.4 | 0 | 0 | 0 | 112.3 | L353 L356 R372 S376 R382 | L353-D374 HydrophobicContact CD2-CB 4.39Å; L356-D374 HydrophobicContact CD1-CB 4.08Å; R372-D374 IonicContact CZ-OD2 3.14Å; R372-D374 IonicContact NE-OD2 2.69Å; R372-D374 PolarHBondContact NE-OD2 3.23Å; R372-D374 IonicContact NH2-OD2 2.78Å; R372-D374 PolarHBondContact NH2-OD2 3.37Å; D374-S376 VanDerWaalsContact C-N 3.25Å; D374-S376 PolarHBondContact O-N 3.14Å; D374-S376 WeakPolarHBondContact OD1-CB 3.29Å; D374-S376 PolarHBondContact OD1-N 3.49Å; D374-S376 PolarHBondContact OD1-OG 3.3Å; D374-R382 PolarHBondContact O-NH2 3.37Å | ||
| 375 | G | 77.3 | Confident | 79.6 | Confident | 62 Ų | 62 | 51.5 Ų | 51.5 | 64% | 0.639 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -23.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 376 | S | 73.4 | Confident | 79.7 | Confident | 69 Ų | 69 | 47.9 Ų | 47.9 | 48% | 0.483 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -26.4 | -177.8 | 67.6 | 0 | 0 | 0 | 0 | 113.7 | D374 P378 | D374-S376 VanDerWaalsContact C-N 3.25Å; D374-S376 PolarHBondContact O-N 3.14Å; D374-S376 WeakPolarHBondContact OD1-CB 3.29Å; D374-S376 PolarHBondContact OD1-N 3.49Å; D374-S376 PolarHBondContact OD1-OG 3.3Å; S376-P378 WeakPolarHBondContact O-CD 3.29Å |
| 377 | V | 73 | Confident | 79.6 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.006 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -71.6 | 119.7 | -171.3 | 179.6 | 0 | 0 | 0 | 0 | 111.1 | E381 R382 L385 | V377-E381 HydrophobicContact CG1-CB 3.97Å; V377-E381 HydrophobicContact CG1-CG 4.15Å; V377-R382 HydrophobicContact CB-CG 4.37Å; V377-R382 HydrophobicContact CG1-CG 3.69Å; V377-R382 VanDerWaalsContact O-CZ 3.24Å; V377-R382 PolarHBondContact O-NE 2.95Å; V377-R382 PolarHBondContact O-NH2 3.49Å; V377-L385 HydrophobicContact CG1-CD1 3.94Å |
| 378 | P | 66.4 | Low | 79.5 | Confident | 66 Ų | 66 | 46.4 Ų | 46.4 | 43% | 0.429 | 27% | 0.268 | S | S | . | . | trans | -59.7 | 146.9 | 177.6 | -24.7 | 35.2 | 0 | 0 | 0 | 113.6 | S376 S380 E381 R382 | S376-P378 WeakPolarHBondContact O-CD 3.29Å; P378-S380 VanDerWaalsContact C-N 3.26Å; P378-S380 PolarHBondContact O-N 3.29Å; P378-S380 VanDerWaalsContact O-N 3.17Å; P378-E381 HydrophobicContact CB-CB 4.49Å; P378-E381 WeakPolarHBondContact CD-OE2 3.26Å; P378-E381 WeakPolarHBondContact O-CB 3.2Å; P378-E381 PolarHBondContact O-N 2.93Å; P378-R382 PolarHBondContact O-N 3.23Å | ||
| 379 | S | 65.9 | Low | 79.7 | Confident | 60 Ų | 60 | 45.8 Ų | 45.8 | 42% | 0.42 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.6 | -33 | -174.9 | -58.9 | 0 | 0 | 0 | 0 | 114.4 | E381 | S379-E381 VanDerWaalsContact C-N 3.34Å |
| 380 | S | 65.1 | Low | 79.8 | Confident | 81 Ų | 81 | 48 Ų | 48 | 57% | 0.566 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -74.6 | -20.7 | 176.5 | 49.6 | 0 | 0 | 0 | 0 | 113.8 | P378 K384 | P378-S380 VanDerWaalsContact C-N 3.26Å; P378-S380 PolarHBondContact O-N 3.29Å; P378-S380 VanDerWaalsContact O-N 3.17Å; S380-K384 WeakPolarHBondContact O-CE 3.37Å |
| 381 | E | 68.2 | Low | 79.6 | Confident | 16 Ų | 16 | 49 Ų | 49 | 8% | 0.075 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -80.8 | -39.8 | 174.2 | -166.8 | -171.2 | 129.7 | 0 | 0 | 110.7 | V377 P378 S379 I383 K384 L385 L990 | V377-E381 HydrophobicContact CG1-CB 3.97Å; V377-E381 HydrophobicContact CG1-CG 4.15Å; P378-E381 HydrophobicContact CB-CB 4.49Å; P378-E381 WeakPolarHBondContact CD-OE2 3.26Å; P378-E381 WeakPolarHBondContact O-CB 3.2Å; P378-E381 PolarHBondContact O-N 2.93Å; S379-E381 VanDerWaalsContact C-N 3.34Å; E381-I383 VanDerWaalsContact C-N 3.27Å; E381-I383 PolarHBondContact O-N 2.81Å; E381-K384 WeakPolarHBondContact O-CB 3.47Å; E381-K384 PolarHBondContact O-N 3.48Å; E381-L385 HydrophobicContact CG-CD1 4.22Å; E381-L385 HydrophobicContact CG-CG 4.46Å; E381-L385 PolarHBondContact O-N 3.19Å; E381-L990 HydrophobicContact CG-CD1 4.35Å; E381-L990 WeakPolarHBondContact OE1-CD2 3.3Å |
| 382 | R | 77 | Confident | 79.4 | Confident | 39 Ų | 39 | 50.9 Ų | 50.9 | 15% | 0.147 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -52.9 | -41.5 | -179.8 | -61.9 | -178.8 | -165.4 | -160.9 | 0.1 | 113 | I373 D374 V377 P378 K384 L385 V386 A404 | I373-R382 HydrophobicContact CD1-CB 4.38Å; I373-R382 HydrophobicContact CG2-CG 3.92Å; D374-R382 PolarHBondContact O-NH2 3.37Å; V377-R382 HydrophobicContact CB-CG 4.37Å; V377-R382 HydrophobicContact CG1-CG 3.69Å; V377-R382 VanDerWaalsContact O-CZ 3.24Å; V377-R382 PolarHBondContact O-NE 2.95Å; V377-R382 PolarHBondContact O-NH2 3.49Å; P378-R382 PolarHBondContact O-N 3.23Å; R382-K384 VanDerWaalsContact C-N 3.34Å; R382-K384 PolarHBondContact O-N 2.99Å; R382-L385 PolarHBondContact O-N 3.36Å; R382-V386 WeakPolarHBondContact O-CB 3.36Å; R382-V386 WeakPolarHBondContact O-CG2 3.38Å; R382-V386 PolarHBondContact O-N 3.36Å; R382-A404 PolarHBondContact NH1-O 3.45Å |
| 383 | I | 74.1 | Confident | 79.3 | Confident | 101 Ų | 101 | 54.2 Ų | 54.2 | 52% | 0.518 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.8 | -40.7 | 179.7 | -59.5 | 174.1 | 0 | 0 | 0 | 110.8 | E381 V386 H387 | E381-I383 VanDerWaalsContact C-N 3.27Å; E381-I383 PolarHBondContact O-N 2.81Å; I383-V386 PolarHBondContact O-N 3.05Å; I383-H387 PolarHBondContact O-N 3.48Å |
| 384 | K | 75.9 | Confident | 79.3 | Confident | 110 Ų | 110 | 60.9 Ų | 60.9 | 48% | 0.478 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.2 | -40.7 | 177.9 | -54.3 | 174.7 | -166.2 | 173.2 | 0 | 111.5 | S380 E381 R382 H387 K388 | S380-K384 WeakPolarHBondContact O-CE 3.37Å; E381-K384 WeakPolarHBondContact O-CB 3.47Å; E381-K384 PolarHBondContact O-N 3.48Å; R382-K384 VanDerWaalsContact C-N 3.34Å; R382-K384 PolarHBondContact O-N 2.99Å; K384-H387 PolarHBondContact O-N 3.15Å; K384-K388 PolarHBondContact O-N 3.29Å |
| 385 | L | 81.8 | Confident | 79.5 | Confident | 31 Ų | 31 | 60.6 Ų | 60.6 | 16% | 0.162 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.3 | -44.5 | 175.4 | -65.8 | 170.8 | 0 | 0 | 0 | 111.4 | I371 I373 V377 E381 R382 K388 F389 | I371-L385 HydrophobicContact CB-CB 4.29Å; I371-L385 HydrophobicContact CB-CD2 4.27Å; I371-L385 HydrophobicContact CD1-CB 4.18Å; I371-L385 HydrophobicContact CG2-CB 4.18Å; I371-L385 HydrophobicContact CG2-CD2 3.95Å; I373-L385 HydrophobicContact CD1-CB 4.18Å; I373-L385 HydrophobicContact CG1-CB 4.39Å; I373-L385 HydrophobicContact CG1-CD1 3.96Å; V377-L385 HydrophobicContact CG1-CD1 3.94Å; E381-L385 HydrophobicContact CG-CD1 4.22Å; E381-L385 HydrophobicContact CG-CG 4.46Å; E381-L385 PolarHBondContact O-N 3.19Å; R382-L385 PolarHBondContact O-N 3.36Å; L385-K388 PolarHBondContact O-N 2.88Å; L385-F389 PolarHBondContact O-N 3.38Å |
| 386 | V | 86.2 | Confident | 80.1 | Confident | 15 Ų | 15 | 60.3 Ų | 60.3 | 9% | 0.091 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60 | -46.3 | 173.9 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | I373 R382 I383 K388 F389 Q390 L409 T410 F411 | I373-V386 HydrophobicContact CD1-CG2 4.15Å; R382-V386 WeakPolarHBondContact O-CB 3.36Å; R382-V386 WeakPolarHBondContact O-CG2 3.38Å; R382-V386 PolarHBondContact O-N 3.36Å; I383-V386 PolarHBondContact O-N 3.05Å; V386-K388 PolarHBondContact O-N 3.25Å; V386-F389 PolarHBondContact O-N 3.38Å; V386-Q390 WeakPolarHBondContact O-CG 3.41Å; V386-Q390 PolarHBondContact O-N 3.22Å; V386-Q390 VanDerWaalsContact O-N 3.07Å; V386-L409 HydrophobicContact CG2-CB 4.3Å; V386-L409 HydrophobicContact CG2-CD1 3.88Å; V386-L409 HydrophobicContact CG2-CD2 4.12Å; V386-L409 HydrophobicContact CG2-CG 4.3Å; V386-T410 VanDerWaalsContact CG1-O 3.26Å; V386-T410 WeakPolarHBondContact CG1-O 3.46Å; V386-F411 HydrophobicContact CB-CE1 4.25Å; V386-F411 HydrophobicContact CG1-CD1 4.48Å; V386-F411 HydrophobicContact CG1-CE1 4.3Å; V386-F411 HydrophobicContact CG2-CE1 3.61Å; V386-F411 HydrophobicContact CG2-CZ 3.68Å |
| 387 | H | 82.8 | Confident | 81.1 | Confident | 119 Ų | 119 | 57 Ų | 57 | 55% | 0.551 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -58.2 | -49.2 | 175.2 | -172.9 | -60.6 | 0 | 0 | 0 | 110.7 | I383 K384 F389 Q390 S391 | I383-H387 PolarHBondContact O-N 3.48Å; K384-H387 PolarHBondContact O-N 3.15Å; H387-F389 PolarHBondContact O-N 2.97Å; H387-Q390 PolarHBondContact O-N 3.45Å; H387-Q390 VanDerWaalsContact O-N 3.16Å; H387-S391 PolarHBondContact CE1-OG 2.91Å; H387-S391 PolarHBondContact ND1-OG 3.27Å; H387-S391 VanDerWaalsContact ND1-OG 3.16Å; H387-S391 WeakPolarHBondContact O-CB 2.97Å; H387-S391 PolarHBondContact O-N 2.89Å; H387-S391 PolarHBondContact O-OG 3.48Å |
| 388 | K | 84.3 | Confident | 82.1 | Confident | 85 Ų | 85 | 57 Ų | 57 | 37% | 0.37 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -53.5 | -55.1 | 177 | -170.8 | -172.6 | -174 | -116.4 | 0 | 111 | I371 K384 L385 V386 Q390 S391 D392 T395 | I371-K388 HydrophobicContact CG2-CD 4.35Å; K384-K388 PolarHBondContact O-N 3.29Å; L385-K388 PolarHBondContact O-N 2.88Å; V386-K388 PolarHBondContact O-N 3.25Å; K388-Q390 PolarHBondContact O-N 2.91Å; K388-S391 PolarHBondContact O-N 2.81Å; K388-D392 VanDerWaalsContact CE-OD2 3.29Å; K388-D392 WeakPolarHBondContact CE-OD2 3.42Å; K388-D392 HydrophobicContact CG-CB 4.02Å; K388-D392 IonicContact NZ-OD2 2.87Å; K388-D392 PolarHBondContact NZ-OD2 3.41Å; K388-D392 WeakPolarHBondContact O-CB 3.4Å; K388-D392 PolarHBondContact O-N 3.02Å; K388-T395 WeakPolarHBondContact CE-OG1 3.45Å; K388-T395 PolarHBondContact NZ-OG1 3.45Å |
| 389 | F | 91 | Very high | 83.4 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.6 | -34.7 | -179.4 | 175.7 | -87.8 | 0 | 0 | 0 | 113.4 | K345 L347 I371 L385 V386 H387 T395 A398 F411 A413 A414 | K345-F389 HydrophobicContact CB-CZ 4.1Å; K345-F389 PolarHBondContact NZ-O 3.19Å; L347-F389 HydrophobicContact CD2-CE1 3.95Å; L347-F389 HydrophobicContact CD2-CE2 4.48Å; L347-F389 HydrophobicContact CD2-CZ 3.78Å; I371-F389 HydrophobicContact CD1-CB 3.68Å; I371-F389 HydrophobicContact CD1-CG 4.28Å; I371-F389 HydrophobicContact CG1-CB 4.13Å; I371-F389 HydrophobicContact CG1-CD2 4.38Å; L385-F389 PolarHBondContact O-N 3.38Å; V386-F389 PolarHBondContact O-N 3.38Å; H387-F389 PolarHBondContact O-N 2.97Å; F389-T395 HydrophobicContact CB-CG2 4.06Å; F389-T395 HydrophobicContact CD2-CG2 4Å; F389-T395 HydrophobicContact CG-CG2 4.49Å; F389-A398 HydrophobicContact CD2-CB 3.69Å; F389-A398 HydrophobicContact CE2-CB 3.72Å; F389-A398 HydrophobicContact CG-CB 4.21Å; F389-A398 HydrophobicContact CZ-CB 4.24Å; F389-F411 AromaticContact CD1-CD1 3.75Å; F389-F411 HydrophobicContact CD1-CD1 3.75Å; F389-F411 HydrophobicContact CD1-CE1 4.47Å; F389-F411 HydrophobicContact CE1-CB 4.34Å; F389-F411 HydrophobicContact CE1-CD1 4.17Å; F389-F411 HydrophobicContact CG-CD1 4.42Å; F389-A413 HydrophobicContact CE1-CB 4.36Å; F389-A414 HydrophobicContact CE1-CB 3.99Å; F389-A414 HydrophobicContact CZ-CB 3.91Å |
| 390 | Q | 88.6 | Confident | 84.8 | Confident | 69 Ų | 69 | 51 Ų | 51 | 32% | 0.322 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -77.1 | -41.9 | 177 | -64.8 | -170.1 | 125.8 | 0 | 0 | 112.7 | V386 H387 K388 T412 A413 | V386-Q390 WeakPolarHBondContact O-CG 3.41Å; V386-Q390 PolarHBondContact O-N 3.22Å; V386-Q390 VanDerWaalsContact O-N 3.07Å; H387-Q390 PolarHBondContact O-N 3.45Å; H387-Q390 VanDerWaalsContact O-N 3.16Å; K388-Q390 PolarHBondContact O-N 2.91Å; Q390-T412 PolarHBondContact OE1-OG1 3.43Å; Q390-A413 HydrophobicContact CB-CB 4.2Å; Q390-A413 HydrophobicContact CG-CB 4.03Å |
| 391 | S | 87.4 | Confident | 86 | Confident | 73 Ų | 73 | 47.8 Ų | 47.8 | 51% | 0.51 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -89 | -31.5 | -172.9 | 66.7 | 0 | 0 | 0 | 0 | 115.7 | H387 K388 P393 | H387-S391 PolarHBondContact CE1-OG 2.91Å; H387-S391 PolarHBondContact ND1-OG 3.27Å; H387-S391 VanDerWaalsContact ND1-OG 3.16Å; H387-S391 WeakPolarHBondContact O-CB 2.97Å; H387-S391 PolarHBondContact O-N 2.89Å; H387-S391 PolarHBondContact O-OG 3.48Å; K388-S391 PolarHBondContact O-N 2.81Å; S391-P393 WeakPolarHBondContact O-CD 3.27Å |
| 392 | D | 86.6 | Confident | 87 | Confident | 43 Ų | 43 | 47 Ų | 47 | 23% | 0.23 | 24% | 0.235 | C | C | . | . | trans | -91.8 | 114.7 | -174.4 | 171.7 | 16.1 | 0 | 0 | 0 | 110.5 | K345 K388 E394 T395 | K345-D392 PolarHBondContact NZ-O 3.5Å; K388-D392 VanDerWaalsContact CE-OD2 3.29Å; K388-D392 WeakPolarHBondContact CE-OD2 3.42Å; K388-D392 HydrophobicContact CG-CB 4.02Å; K388-D392 IonicContact NZ-OD2 2.87Å; K388-D392 PolarHBondContact NZ-OD2 3.41Å; K388-D392 WeakPolarHBondContact O-CB 3.4Å; K388-D392 PolarHBondContact O-N 3.02Å; D392-E394 VanDerWaalsContact C-N 3.32Å; D392-E394 PolarHBondContact O-N 3.03Å; D392-E394 WeakPolarHBondContact OD1-CB 3.31Å; D392-E394 PolarHBondContact OD1-N 3.21Å; D392-E394 VanDerWaalsContact OD1-N 3.12Å; D392-T395 PolarHBondContact O-N 3.36Å; D392-T395 WeakPolarHBondContact OD2-CB 3.42Å; D392-T395 PolarHBondContact OD2-OG1 3.48Å | ||
| 393 | P | 86.6 | Confident | 87.3 | Confident | 92 Ų | 92 | 50.1 Ų | 50.1 | 60% | 0.597 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -39.3 | 179.4 | -24.6 | 35.6 | 0 | 0 | 0 | 113.6 | S391 T395 | S391-P393 WeakPolarHBondContact O-CD 3.27Å; P393-T395 PolarHBondContact O-N 2.9Å |
| 394 | E | 87 | Confident | 87.2 | Confident | 140 Ų | 140 | 46.3 Ų | 46.3 | 65% | 0.654 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -25.6 | -176 | -61.2 | -54.6 | 121.1 | 0 | 0 | 112.5 | G369 D392 R396 | G369-E394 WeakPolarHBondContact CA-O 3.4Å; G369-E394 PolarHBondContact N-O 3.02Å; G369-E394 VanDerWaalsContact N-O 3.15Å; D392-E394 VanDerWaalsContact C-N 3.32Å; D392-E394 PolarHBondContact O-N 3.03Å; D392-E394 WeakPolarHBondContact OD1-CB 3.31Å; D392-E394 PolarHBondContact OD1-N 3.21Å; D392-E394 VanDerWaalsContact OD1-N 3.12Å; E394-R396 VanDerWaalsContact C-N 3.34Å; E394-R396 PolarHBondContact O-N 2.86Å |
| 395 | T | 90.2 | Very high | 87 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 83.4 | 174 | -64.1 | 0 | 0 | 0 | 0 | 110.3 | K345 G369 I371 K388 F389 D392 P393 | K345-T395 WeakPolarHBondContact CE-O 3.34Å; G369-T395 CarbonylContact O-C 3.54Å; G369-T395 WeakPolarHBondContact O-CA 3.41Å; I371-T395 HydrophobicContact CG2-CG2 3.9Å; K388-T395 WeakPolarHBondContact CE-OG1 3.45Å; K388-T395 PolarHBondContact NZ-OG1 3.45Å; F389-T395 HydrophobicContact CB-CG2 4.06Å; F389-T395 HydrophobicContact CD2-CG2 4Å; F389-T395 HydrophobicContact CG-CG2 4.49Å; D392-T395 PolarHBondContact O-N 3.36Å; D392-T395 WeakPolarHBondContact OD2-CB 3.42Å; D392-T395 PolarHBondContact OD2-OG1 3.48Å; P393-T395 PolarHBondContact O-N 2.9Å |
| 396 | R | 91.4 | Very high | 86 | Confident | 57 Ų | 57 | 39.7 Ų | 39.7 | 22% | 0.215 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | -26.7 | -177.3 | -65.9 | -157.8 | -70.9 | 145.9 | -9.1 | 115.3 | L339 A341 K345 F346 G369 E394 | L339-R396 HydrophobicContact CD2-CB 4.2Å; L339-R396 VanDerWaalsContact O-CZ 3.28Å; L339-R396 PolarHBondContact O-NH1 3.3Å; L339-R396 PolarHBondContact O-NH2 3.09Å; A341-R396 PolarHBondContact O-NH1 3.42Å; K345-R396 WeakPolarHBondContact CA-O 3.17Å; F346-R396 PolarHBondContact N-O 2.9Å; G369-R396 PolarHBondContact O-N 3.41Å; E394-R396 VanDerWaalsContact C-N 3.34Å; E394-R396 PolarHBondContact O-N 2.86Å |
| 397 | V | 93.2 | Very high | 85.3 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 133.3 | -174.9 | -160.4 | 0 | 0 | 0 | 0 | 112.6 | L339 F346 V348 G369 Y370 I371 I399 | L339-V397 HydrophobicContact CD1-CG2 4.09Å; L339-V397 HydrophobicContact CD2-CG2 3.65Å; L339-V397 HydrophobicContact CG-CG2 4.17Å; F346-V397 HydrophobicContact CD1-CG2 4.5Å; F346-V397 HydrophobicContact CD2-CG1 4.28Å; F346-V397 HydrophobicContact CE1-CG2 3.77Å; F346-V397 HydrophobicContact CE2-CG1 3.87Å; F346-V397 HydrophobicContact CE2-CG2 4.44Å; F346-V397 HydrophobicContact CZ-CB 4.49Å; F346-V397 HydrophobicContact CZ-CG1 4.02Å; F346-V397 HydrophobicContact CZ-CG2 3.75Å; V348-V397 HydrophobicContact CG2-CG1 3.87Å; G369-V397 PolarHBondContact O-N 3.2Å; Y370-V397 CarbonylContact C-O 3.58Å; Y370-V397 WeakPolarHBondContact CA-O 3.14Å; I371-V397 PolarHBondContact N-O 2.83Å; V397-I399 HydrophobicContact CG1-CG1 3.97Å |
| 398 | A | 94.4 | Very high | 84.5 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 114.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | F346 L347 V348 I371 F389 L400 | F346-A398 PolarHBondContact O-N 3.1Å; L347-A398 HydrophobicContact CD2-CB 3.69Å; V348-A398 PolarHBondContact N-O 2.61Å; I371-A398 HydrophobicContact CD1-CB 3.89Å; I371-A398 HydrophobicContact CG1-CB 3.7Å; F389-A398 HydrophobicContact CD2-CB 3.69Å; F389-A398 HydrophobicContact CE2-CB 3.72Å; F389-A398 HydrophobicContact CG-CB 4.21Å; F389-A398 HydrophobicContact CZ-CB 4.24Å; A398-L400 HydrophobicContact CB-CD1 4.18Å; A398-L400 HydrophobicContact CB-CD2 4.16Å; A398-L400 HydrophobicContact CB-CG 4.03Å |
| 399 | I | 94.4 | Very high | 84.4 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 110 | 179.4 | -59.6 | 169.5 | 0 | 0 | 0 | 108 | L356 C359 Y370 I371 R372 I373 V397 | L356-I399 HydrophobicContact CB-CG2 4.49Å; L356-I399 HydrophobicContact CD2-CG2 3.64Å; C359-I399 HydrophobicContact CB-CD1 4.19Å; C359-I399 HydrophobicContact CB-CG1 4.34Å; C359-I399 HydrophobicContact CB-CG2 3.99Å; C359-I399 WeakPolarHBondContact O-CD1 3.19Å; Y370-I399 HydrophobicContact CD2-CD1 4.12Å; I371-I399 PolarHBondContact O-N 3.35Å; R372-I399 CarbonylContact C-O 3.58Å; R372-I399 VanDerWaalsContact CA-O 3.32Å; R372-I399 WeakPolarHBondContact CA-O 3.27Å; I373-I399 PolarHBondContact N-O 3.28Å; V397-I399 HydrophobicContact CG1-CG1 3.97Å |
| 400 | L | 94 | Very high | 84.1 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 128.9 | -161.2 | -61.4 | -178.9 | 0 | 0 | 0 | 111.8 | L347 V348 F349 A350 I373 A398 I402 A405 F411 | L347-L400 HydrophobicContact CB-CD1 4.29Å; L347-L400 HydrophobicContact CD1-CD1 4.33Å; L347-L400 HydrophobicContact CD2-CD1 4.25Å; V348-L400 PolarHBondContact O-N 2.89Å; F349-L400 WeakPolarHBondContact CA-O 3.5Å; F349-L400 HydrophobicContact CD1-CB 3.65Å; F349-L400 HydrophobicContact CD1-CD1 4.45Å; F349-L400 HydrophobicContact CE1-CB 3.54Å; F349-L400 HydrophobicContact CE1-CD1 3.66Å; F349-L400 HydrophobicContact CE1-CG 4.26Å; F349-L400 HydrophobicContact CE2-CD1 4.33Å; F349-L400 HydrophobicContact CG-CB 4.49Å; F349-L400 HydrophobicContact CZ-CB 4.3Å; F349-L400 HydrophobicContact CZ-CD1 3.58Å; A350-L400 PolarHBondContact N-O 2.89Å; A350-L400 VanDerWaalsContact N-O 3.09Å; I373-L400 HydrophobicContact CB-CD2 3.8Å; I373-L400 HydrophobicContact CD1-CD2 4.1Å; I373-L400 HydrophobicContact CG1-CD2 4.08Å; A398-L400 HydrophobicContact CB-CD1 4.18Å; A398-L400 HydrophobicContact CB-CD2 4.16Å; A398-L400 HydrophobicContact CB-CG 4.03Å; L400-I402 PolarHBondContact O-N 3.23Å; L400-A405 HydrophobicContact CB-CB 3.86Å; L400-A405 HydrophobicContact CD1-CB 4.3Å; L400-A405 HydrophobicContact CD2-CB 3.91Å; L400-A405 HydrophobicContact CG-CB 4.23Å; L400-F411 HydrophobicContact CD1-CD2 4.02Å; L400-F411 HydrophobicContact CD1-CE2 3.5Å; L400-F411 VanDerWaalsContact CD1-CE2 3.5Å; L400-F411 HydrophobicContact CD1-CZ 3.83Å; L400-F411 HydrophobicContact CD2-CE2 4.25Å; L400-F411 HydrophobicContact CD2-CZ 3.81Å |
| 401 | S | 91.3 | Very high | 84.2 | Confident | 12 Ų | 12 | 30.7 Ų | 30.7 | 8% | 0.084 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 126.1 | 166.8 | 174.6 | 0 | 0 | 0 | 0 | 110.3 | A350 I373 Q403 A404 A405 | A350-S401 CarbonylContact O-C 3.48Å; A350-S401 WeakPolarHBondContact O-CA 3.34Å; I373-S401 PolarHBondContact O-N 3.28Å; S401-Q403 PolarHBondContact O-N 2.87Å; S401-A404 PolarHBondContact O-N 3.24Å; S401-A404 VanDerWaalsContact O-N 3.08Å; S401-A405 PolarHBondContact O-N 2.85Å |
| 402 | I | 89.3 | Confident | 84.2 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.9 | -36.4 | 178.7 | -70.2 | 163.1 | 0 | 0 | 0 | 112 | F349 A350 H351 L400 F419 Y423 | F349-I402 HydrophobicContact CB-CD1 4.48Å; F349-I402 HydrophobicContact CB-CG1 3.79Å; F349-I402 HydrophobicContact CD1-CG1 4.25Å; F349-I402 HydrophobicContact CG-CG1 4.42Å; A350-I402 WeakPolarHBondContact O-CG1 3.48Å; A350-I402 PolarHBondContact O-N 2.85Å; H351-I402 HydrophobicContact CB-CD1 4.45Å; L400-I402 PolarHBondContact O-N 3.23Å; I402-F419 HydrophobicContact CD1-CD1 4.4Å; I402-Y423 HydrophobicContact CG2-CD1 4.39Å; I402-Y423 HydrophobicContact CG2-CD2 4.49Å; I402-Y423 HydrophobicContact CG2-CG 4.08Å |
| 403 | Q | 82.9 | Confident | 84.3 | Confident | 103 Ų | 103 | 28.6 Ų | 28.6 | 48% | 0.481 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -37.5 | 179 | -65.1 | -174.7 | -68.1 | 0 | 0 | 113.6 | H351 S401 Y423 | H351-Q403 PolarHBondContact CE1-OE1 3.45Å; H351-Q403 VanDerWaalsContact CE1-OE1 3.31Å; S401-Q403 PolarHBondContact O-N 2.87Å; Q403-Y423 HydrophobicContact CG-CE2 4.33Å; Q403-Y423 PolarHBondContact NE2-OH 3.3Å |
| 404 | A | 72.8 | Confident | 84.6 | Confident | 21 Ų | 21 | 24.2 Ų | 24.2 | 17% | 0.174 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -27.9 | -175 | 0 | 0 | 0 | 0 | 0 | 113.6 | R382 S401 | R382-A404 PolarHBondContact NH1-O 3.45Å; S401-A404 PolarHBondContact O-N 3.24Å; S401-A404 VanDerWaalsContact O-N 3.08Å |
| 405 | A | 70.3 | Confident | 84.8 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -9.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | F349 I373 L400 S401 Q407 L409 | F349-A405 HydrophobicContact CE1-CB 4.41Å; I373-A405 HydrophobicContact CG2-CB 4.37Å; L400-A405 HydrophobicContact CB-CB 3.86Å; L400-A405 HydrophobicContact CD1-CB 4.3Å; L400-A405 HydrophobicContact CD2-CB 3.91Å; L400-A405 HydrophobicContact CG-CB 4.23Å; S401-A405 PolarHBondContact O-N 2.85Å; A405-Q407 PolarHBondContact O-N 3.13Å; A405-Q407 VanDerWaalsContact O-N 3.07Å; A405-L409 HydrophobicContact CB-CD1 4.21Å |
| 406 | G | 62.2 | Low | 84.9 | Confident | 2 Ų | 2 | 19.8 Ų | 19.8 | 2% | 0.021 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -66.9 | -5.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | R435 | G406-R435 VanDerWaalsContact O-CZ 3.3Å; G406-R435 PolarHBondContact O-NE 3.29Å; G406-R435 PolarHBondContact O-NH2 2.72Å |
| 407 | Q | 70 | Confident | 85 | Confident | 19 Ų | 19 | 17.1 Ų | 17.1 | 9% | 0.089 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -135.5 | 143.5 | -176.4 | -67 | -178.8 | 4.6 | 0 | 0 | 112.7 | H159 Y160 A405 L409 Q431 | H159-Q407 PolarHBondContact CE1-NE2 3.18Å; H159-Q407 PolarHBondContact NE2-NE2 3.08Å; Y160-Q407 PolarHBondContact OH-OE1 2.7Å; Y160-Q407 VanDerWaalsContact OH-OE1 3.13Å; A405-Q407 PolarHBondContact O-N 3.13Å; A405-Q407 VanDerWaalsContact O-N 3.07Å; Q407-L409 PolarHBondContact O-N 3.46Å; Q407-Q431 VanDerWaalsContact NE2-OE1 3.17Å |
| 408 | G | 67.6 | Low | 85.1 | Confident | 25 Ų | 25 | 17.2 Ų | 17.2 | 26% | 0.258 | 11% | 0.107 | S | C | . | . | S | Bend | trans | 77.1 | -32.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 409 | L | 81.4 | Confident | 85.2 | Confident | 18 Ų | 18 | 17.2 Ų | 17.2 | 9% | 0.094 | 11% | 0.107 | C | C | . | . | trans | -79 | 165.2 | -176.5 | -49.4 | -173.5 | 0 | 0 | 0 | 113 | I373 V386 A405 Q407 F411 R435 R438 | I373-L409 HydrophobicContact CD1-CD1 3.99Å; V386-L409 HydrophobicContact CG2-CB 4.3Å; V386-L409 HydrophobicContact CG2-CD1 3.88Å; V386-L409 HydrophobicContact CG2-CD2 4.12Å; V386-L409 HydrophobicContact CG2-CG 4.3Å; A405-L409 HydrophobicContact CB-CD1 4.21Å; Q407-L409 PolarHBondContact O-N 3.46Å; L409-F411 HydrophobicContact CB-CE2 3.89Å; L409-F411 HydrophobicContact CB-CZ 4.29Å; L409-F411 HydrophobicContact CD1-CE2 4.08Å; L409-F411 HydrophobicContact CD1-CZ 3.93Å; L409-R435 WeakPolarHBondContact O-CD 3.36Å; L409-R435 PolarHBondContact O-NH1 2.94Å; L409-R438 PolarHBondContact O-NH1 3.43Å | ||
| 410 | T | 85.4 | Confident | 85.2 | Confident | 38 Ų | 38 | 17.1 Ų | 17.1 | 23% | 0.233 | 11% | 0.106 | C | C | . | . | trans | -136 | 139.1 | 174.5 | -59.1 | 0 | 0 | 0 | 0 | 108.3 | V386 T412 R438 | V386-T410 VanDerWaalsContact CG1-O 3.26Å; V386-T410 WeakPolarHBondContact CG1-O 3.46Å; T410-T412 HydrophobicContact CG2-CG2 3.94Å; T410-R438 PolarHBondContact OG1-NH1 2.86Å | ||
| 411 | F | 89.3 | Confident | 85.2 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | trans | -141.4 | 51.7 | 178.8 | -63.2 | -75.3 | 0 | 0 | 0 | 110.4 | L347 I371 I373 V386 F389 L400 L409 A413 A414 R435 | L347-F411 HydrophobicContact CD1-CB 3.95Å; L347-F411 HydrophobicContact CD1-CD2 4.1Å; L347-F411 HydrophobicContact CD1-CG 4.27Å; L347-F411 HydrophobicContact CD2-CB 3.8Å; L347-F411 HydrophobicContact CD2-CD1 4.26Å; L347-F411 HydrophobicContact CD2-CD2 4.33Å; L347-F411 HydrophobicContact CD2-CG 3.92Å; L347-F411 HydrophobicContact CG-CB 4.49Å; I371-F411 HydrophobicContact CD1-CE1 4.02Å; I373-F411 HydrophobicContact CD1-CZ 4.29Å; V386-F411 HydrophobicContact CB-CE1 4.25Å; V386-F411 HydrophobicContact CG1-CD1 4.48Å; V386-F411 HydrophobicContact CG1-CE1 4.3Å; V386-F411 HydrophobicContact CG2-CE1 3.61Å; V386-F411 HydrophobicContact CG2-CZ 3.68Å; F389-F411 AromaticContact CD1-CD1 3.75Å; F389-F411 HydrophobicContact CD1-CD1 3.75Å; F389-F411 HydrophobicContact CD1-CE1 4.47Å; F389-F411 HydrophobicContact CE1-CB 4.34Å; F389-F411 HydrophobicContact CE1-CD1 4.17Å; F389-F411 HydrophobicContact CG-CD1 4.42Å; L400-F411 HydrophobicContact CD1-CD2 4.02Å; L400-F411 HydrophobicContact CD1-CE2 3.5Å; L400-F411 VanDerWaalsContact CD1-CE2 3.5Å; L400-F411 HydrophobicContact CD1-CZ 3.83Å; L400-F411 HydrophobicContact CD2-CE2 4.25Å; L400-F411 HydrophobicContact CD2-CZ 3.81Å; L409-F411 HydrophobicContact CB-CE2 3.89Å; L409-F411 HydrophobicContact CB-CZ 4.29Å; L409-F411 HydrophobicContact CD1-CE2 4.08Å; L409-F411 HydrophobicContact CD1-CZ 3.93Å; F411-A413 PolarHBondContact O-N 2.91Å; F411-A414 PolarHBondContact O-N 2.87Å; F411-R435 HydrophobicContact CD2-CB 3.92Å; F411-R435 PolarHBondContact N-O 3.32Å | ||
| 412 | T | 87.9 | Confident | 85.2 | Confident | 31 Ų | 31 | 16.9 Ų | 16.9 | 19% | 0.19 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -18.3 | -177.4 | 39.7 | 0 | 0 | 0 | 0 | 113.3 | Q390 T410 A414 R438 Q441 | Q390-T412 PolarHBondContact OE1-OG1 3.43Å; T410-T412 HydrophobicContact CG2-CG2 3.94Å; T412-A414 PolarHBondContact O-N 2.86Å; T412-R438 HydrophobicContact CG2-CB 4.02Å; T412-Q441 HydrophobicContact CG2-CB 4.4Å; T412-Q441 PolarHBondContact O-NE2 3.34Å; T412-Q441 VanDerWaalsContact O-NE2 3.07Å |
| 413 | A | 89.3 | Confident | 85.3 | Confident | 40 Ų | 40 | 17.9 Ų | 17.9 | 33% | 0.331 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -9.6 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | K345 F389 Q390 F411 | K345-A413 WeakPolarHBondContact CB-O 3.27Å; K345-A413 HydrophobicContact CD-CB 4.4Å; F389-A413 HydrophobicContact CE1-CB 4.36Å; Q390-A413 HydrophobicContact CB-CB 4.2Å; Q390-A413 HydrophobicContact CG-CB 4.03Å; F411-A413 PolarHBondContact O-N 2.91Å |
| 414 | A | 91.6 | Very high | 85.5 | Confident | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 10% | 0.095 | C | C | . | . | trans | -95.7 | 132.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | K345 L347 F389 F411 T412 A436 Q441 | K345-A414 WeakPolarHBondContact O-CA 3.32Å; L347-A414 HydrophobicContact CD1-CB 4.41Å; L347-A414 HydrophobicContact CD2-CB 3.64Å; L347-A414 HydrophobicContact CG-CB 3.72Å; F389-A414 HydrophobicContact CE1-CB 3.99Å; F389-A414 HydrophobicContact CZ-CB 3.91Å; F411-A414 PolarHBondContact O-N 2.87Å; T412-A414 PolarHBondContact O-N 2.86Å; A414-A436 HydrophobicContact CB-CB 4.37Å; A414-Q441 PolarHBondContact O-NE2 3.3Å | ||
| 415 | S | 90.9 | Very high | 86.1 | Confident | 18 Ų | 18 | 15.8 Ų | 15.8 | 13% | 0.126 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -98 | -18.8 | 172.7 | 58.4 | 0 | 0 | 0 | 0 | 113.2 | K345 V445 N446 | K345-S415 PolarHBondContact O-N 2.93Å; K345-S415 VanDerWaalsContact O-N 3.16Å; S415-V445 WeakPolarHBondContact O-CA 3.47Å; S415-N446 PolarHBondContact O-N 2.68Å |
| 416 | H | 92.5 | Very high | 87 | Confident | 30 Ų | 30 | 15.9 Ų | 15.9 | 14% | 0.139 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 143.5 | -177.9 | -68.7 | 68.7 | 0 | 0 | 0 | 112 | F346 L347 N446 | F346-H416 VanDerWaalsContact CA-O 3.27Å; F346-H416 WeakPolarHBondContact CA-O 3.39Å; F346-H416 HydrophobicContact CB-CB 3.77Å; F346-H416 WeakPolarHBondContact CB-O 3.18Å; L347-H416 PolarHBondContact N-O 2.63Å; H416-N446 CarbonylContact C-O 3.44Å; H416-N446 WeakPolarHBondContact CA-O 3.31Å; H416-N446 PolarHBondContact NE2-ND2 3.42Å |
| 417 | V | 94.6 | Very high | 88.1 | Confident | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.006 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 122.6 | 179.9 | -177.3 | 0 | 0 | 0 | 0 | 109.2 | L347 F349 F419 A436 V445 N446 V447 H448 | L347-V417 HydrophobicContact CD1-CG2 4.2Å; L347-V417 HydrophobicContact CG-CG2 4.42Å; F349-V417 HydrophobicContact CD2-CG1 3.63Å; F349-V417 HydrophobicContact CE2-CG1 3.76Å; V417-F419 HydrophobicContact CG1-CD2 4.46Å; V417-F419 HydrophobicContact CG1-CE2 3.97Å; V417-F419 HydrophobicContact CG1-CZ 4.48Å; V417-A436 HydrophobicContact CG2-CB 3.83Å; V417-V445 HydrophobicContact CG2-CG1 3.98Å; V417-N446 PolarHBondContact N-O 2.93Å; V417-V447 HydrophobicContact CB-CG2 4.25Å; V417-V447 CarbonylContact O-C 3.5Å; V417-V447 VanDerWaalsContact O-CA 3.32Å; V417-V447 WeakPolarHBondContact O-CA 3.22Å; V417-H448 PolarHBondContact O-N 3.04Å |
| 418 | V | 95.3 | Very high | 88.8 | Confident | 1 Ų | 1 | 16.4 Ų | 16.4 | 1% | 0.006 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 117.7 | -174.3 | -174.8 | 0 | 0 | 0 | 0 | 108.9 | Y334 F346 L347 V348 F349 H448 L450 | Y334-V418 HydrophobicContact CD1-CG1 4.03Å; Y334-V418 HydrophobicContact CE1-CB 4.36Å; Y334-V418 HydrophobicContact CE1-CG1 3.6Å; Y334-V418 HydrophobicContact CE1-CG2 3.77Å; F346-V418 HydrophobicContact CD2-CG2 4.09Å; L347-V418 PolarHBondContact O-N 3.34Å; V348-V418 CarbonylContact C-O 3.49Å; V348-V418 WeakPolarHBondContact CA-O 3.36Å; V348-V418 HydrophobicContact CG2-CB 4.45Å; F349-V418 PolarHBondContact N-O 2.86Å; V418-H448 WeakPolarHBondContact CA-O 3.23Å; V418-L450 HydrophobicContact CG1-CD1 3.84Å; V418-L450 HydrophobicContact CG1-CG 4.05Å |
| 419 | F | 95.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 100.9 | 168 | -72 | -86.3 | 0 | 0 | 0 | 109 | F349 I402 V417 E421 M429 A432 E433 V447 H448 Y449 L450 | F349-F419 HydrophobicContact CB-CD1 3.71Å; F349-F419 HydrophobicContact CB-CE1 3.81Å; F349-F419 HydrophobicContact CB-CG 4.42Å; F349-F419 HydrophobicContact CD2-CE1 4.24Å; F349-F419 HydrophobicContact CD2-CZ 4.26Å; F349-F419 HydrophobicContact CG-CE1 4.15Å; I402-F419 HydrophobicContact CD1-CD1 4.4Å; V417-F419 HydrophobicContact CG1-CD2 4.46Å; V417-F419 HydrophobicContact CG1-CE2 3.97Å; V417-F419 HydrophobicContact CG1-CZ 4.48Å; F419-E421 VanDerWaalsContact C-N 3.25Å; F419-M429 HydrophobicContact CE1-CB 4.19Å; F419-M429 HydrophobicContact CE1-CG 4.43Å; F419-M429 HydrophobicContact CZ-CB 4.14Å; F419-A432 HydrophobicContact CE1-CB 4.02Å; F419-A432 HydrophobicContact CZ-CB 3.88Å; F419-E433 HydrophobicContact CE2-CG 3.85Å; F419-E433 HydrophobicContact CZ-CG 4.07Å; F419-V447 HydrophobicContact CD2-CG1 3.93Å; F419-V447 HydrophobicContact CE2-CG1 3.73Å; F419-H448 PolarHBondContact N-O 2.62Å; F419-Y449 HydrophobicContact CB-CD1 3.85Å; F419-Y449 AromaticContact CD2-CD1 3.51Å; F419-Y449 HydrophobicContact CD2-CD1 3.51Å; F419-Y449 AromaticContact CD2-CE1 3.43Å; F419-Y449 HydrophobicContact CD2-CE1 3.43Å; F419-Y449 VanDerWaalsContact CD2-CE1 3.43Å; F419-Y449 HydrophobicContact CD2-CG 4.49Å; F419-Y449 HydrophobicContact CE2-CD1 4.28Å; F419-Y449 AromaticContact CE2-CE1 3.72Å; F419-Y449 HydrophobicContact CE2-CE1 3.72Å; F419-Y449 AromaticContact CG-CD1 3.83Å; F419-Y449 HydrophobicContact CG-CD1 3.83Å; F419-Y449 HydrophobicContact CG-CE1 4.06Å; F419-L450 PolarHBondContact O-N 3.47Å |
| 420 | A | 95.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -67.2 | -31.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | K327 V331 V348 F349 A350 M355 | K327-A420 WeakPolarHBondContact CE-O 3.32Å; K327-A420 PolarHBondContact NZ-O 3.44Å; V331-A420 HydrophobicContact CG1-CB 3.68Å; V331-A420 HydrophobicContact CG2-CB 4.11Å; V348-A420 HydrophobicContact CG1-CB 4.33Å; F349-A420 PolarHBondContact O-N 3.49Å; A350-A420 HydrophobicContact CB-CB 4.42Å; M355-A420 HydrophobicContact CG-CB 3.95Å; M355-A420 HydrophobicContact SD-CB 4.08Å |
| 421 | E | 93.4 | Very high | 90.2 | Very high | 5 Ų | 5 | 14.5 Ų | 14.5 | 2% | 0.023 | 8% | 0.077 | C | C | . | . | S | Bend | trans | -128.7 | 140.5 | 175.7 | -63.8 | -177.8 | 76 | 0 | 0 | 111 | A324 H351 H352 M355 F419 | A324-E421 HydrophobicContact CB-CG 4.36Å; A324-E421 WeakPolarHBondContact CB-OE1 3.42Å; H351-E421 PolarHBondContact N-OE2 3.36Å; H352-E421 IonicContact CE1-OE1 3.6Å; H352-E421 IonicContact CG-OE1 3.66Å; H352-E421 PolarHBondContact N-OE2 2.86Å; H352-E421 IonicContact ND1-OE1 2.78Å; H352-E421 PolarHBondContact ND1-OE1 3.02Å; H352-E421 IonicContact ND1-OE2 3.73Å; M355-E421 HydrophobicContact CB-CG 4.44Å; M355-E421 VanDerWaalsContact CB-OE2 3.31Å; M355-E421 WeakPolarHBondContact CB-OE2 3.47Å; M355-E421 HydrophobicContact CE-CG 4.09Å; M355-E421 HydrophobicContact CG-CG 4.07Å; F419-E421 VanDerWaalsContact C-N 3.25Å |
| 422 | L | 91.9 | Very high | 90.2 | Very high | 1 Ų | 1 | 14.5 Ų | 14.5 | 1% | 0.005 | 8% | 0.077 | C | C | . | . | trans | -74.2 | 158.5 | 164.4 | -62.3 | -180 | 0 | 0 | 0 | 110 | Y320 M429 Y449 I451 D457 M460 W461 L464 | Y320-L422 WeakPolarHBondContact CE2-O 3.46Å; Y320-L422 PolarHBondContact OH-O 3.02Å; L422-M429 HydrophobicContact CD2-SD 4.38Å; L422-Y449 HydrophobicContact CD2-CD1 4.11Å; L422-I451 HydrophobicContact CD1-CG1 4.49Å; L422-D457 HydrophobicContact CD1-CB 4.13Å; L422-M460 HydrophobicContact CB-CG 4.18Å; L422-M460 HydrophobicContact CB-SD 3.54Å; L422-M460 VanDerWaalsContact CB-SD 3.54Å; L422-M460 HydrophobicContact CD1-CB 4.3Å; L422-W461 HydrophobicContact CD1-CB 4.15Å; L422-W461 HydrophobicContact CD1-CE3 4.14Å; L422-W461 HydrophobicContact CD2-CE3 3.94Å; L422-W461 HydrophobicContact CD2-CZ3 4.16Å; L422-L464 HydrophobicContact CB-CD1 4.24Å; L422-L464 HydrophobicContact CD1-CD1 4.38Å; L422-L464 HydrophobicContact CD2-CD1 4.4Å | ||
| 423 | Y | 91.1 | Very high | 90.3 | Very high | 22 Ų | 22 | 13 Ų | 13 | 9% | 0.086 | 7% | 0.068 | C | C | . | . | trans | -130.3 | 149.8 | 176.5 | -174 | -104 | 0 | 0 | 0 | 111.6 | H351 I402 Q403 N425 H428 L464 | H351-Y423 AromaticContact CE1-CE2 3.96Å; H351-Y423 AromaticContact ND1-CE2 3.98Å; I402-Y423 HydrophobicContact CG2-CD1 4.39Å; I402-Y423 HydrophobicContact CG2-CD2 4.49Å; I402-Y423 HydrophobicContact CG2-CG 4.08Å; Q403-Y423 HydrophobicContact CG-CE2 4.33Å; Q403-Y423 PolarHBondContact NE2-OH 3.3Å; Y423-N425 HydrophobicContact CD1-CB 4.44Å; Y423-N425 HydrophobicContact CE1-CB 4.35Å; Y423-N425 PolarHBondContact O-N 2.82Å; Y423-H428 HydrophobicContact CD1-CB 3.81Å; Y423-H428 HydrophobicContact CE1-CB 4.02Å; Y423-H428 AromaticContact CE1-CD2 3.85Å; Y423-H428 AromaticContact CE1-CG 3.92Å; Y423-L464 VanDerWaalsContact O-CD2 3.31Å; Y423-L464 WeakPolarHBondContact O-CD2 3.34Å | ||
| 424 | W | 86.9 | Confident | 90.2 | Very high | 55 Ų | 55 | 11.3 Ų | 11.3 | 21% | 0.208 | 5% | 0.053 | C | C | . | . | S | Bend | trans | -55 | -17.9 | -169.4 | -59.6 | 98.5 | 0 | 0 | 0 | 117.7 | V316 Y320 F456 M460 M463 K467 | V316-W424 HydrophobicContact CG1-CH2 3.44Å; V316-W424 VanDerWaalsContact CG1-CH2 3.44Å; V316-W424 HydrophobicContact CG1-CZ2 4.38Å; V316-W424 HydrophobicContact CG1-CZ3 4.09Å; Y320-W424 AromaticContact CD1-CE2 3.91Å; Y320-W424 AromaticContact CD1-CZ2 3.67Å; Y320-W424 HydrophobicContact CD1-CZ2 3.67Å; Y320-W424 AromaticContact CD1-NE1 3.61Å; Y320-W424 HydrophobicContact CD2-CZ2 4.45Å; Y320-W424 AromaticContact CE1-CE2 3.94Å; Y320-W424 HydrophobicContact CE1-CZ2 4.18Å; Y320-W424 AromaticContact CE1-NE1 3.25Å; Y320-W424 VanDerWaalsContact CE1-NE1 3.25Å; Y320-W424 AromaticContact CG-CZ2 3.81Å; Y320-W424 HydrophobicContact CG-CZ2 3.81Å; Y320-W424 AromaticContact CZ-NE1 3.84Å; W424-F456 AromaticContact CH2-CE1 3.37Å; W424-F456 HydrophobicContact CH2-CE1 3.37Å; W424-F456 AromaticContact CH2-CZ 3.64Å; W424-F456 HydrophobicContact CH2-CZ 3.64Å; W424-F456 HydrophobicContact CZ2-CE1 4.21Å; W424-F456 AromaticContact CZ3-CE1 3.78Å; W424-F456 HydrophobicContact CZ3-CE1 3.78Å; W424-F456 AromaticContact CZ3-CZ 3.77Å; W424-F456 HydrophobicContact CZ3-CZ 3.77Å; W424-M460 HydrophobicContact CD2-CE 3.95Å; W424-M460 HydrophobicContact CE3-CE 3.91Å; W424-M460 HydrophobicContact CH2-CE 3.9Å; W424-M460 HydrophobicContact CZ2-CE 3.91Å; W424-M460 HydrophobicContact CZ3-CE 3.9Å; W424-M463 HydrophobicContact CE3-CE 3.92Å; W424-M463 HydrophobicContact CE3-SD 4.35Å; W424-K467 PolarHBondContact O-NZ 2.88Å |
| 425 | N | 86.1 | Confident | 90 | Very high | 26 Ų | 26 | 11.9 Ų | 11.9 | 14% | 0.139 | 6% | 0.056 | C | C | . | . | trans | -136 | 121.8 | -169.9 | -64.8 | -49.8 | 0 | 0 | 0 | 110.7 | Y423 G427 H428 K467 | Y423-N425 HydrophobicContact CD1-CB 4.44Å; Y423-N425 HydrophobicContact CE1-CB 4.35Å; Y423-N425 PolarHBondContact O-N 2.82Å; N425-G427 VanDerWaalsContact C-N 3.26Å; N425-G427 PolarHBondContact O-N 2.94Å; N425-H428 PolarHBondContact O-N 3.47Å; N425-K467 PolarHBondContact OD1-NZ 3.33Å | ||
| 426 | P | 87.9 | Confident | 89.9 | Confident | 1 Ų | 1 | 11 Ų | 11 | 1% | 0.006 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -64 | -31.5 | -173.4 | 26.5 | -34.8 | 0 | 0 | 0 | 112.7 | L191 H428 M429 K430 L464 K467 E468 L482 | L191-P426 WeakPolarHBondContact O-CD 3.36Å; P426-H428 VanDerWaalsContact C-N 3.26Å; P426-H428 PolarHBondContact O-N 3.16Å; P426-M429 PolarHBondContact O-N 2.83Å; P426-K430 PolarHBondContact O-N 3.15Å; P426-L464 HydrophobicContact CB-CD2 3.96Å; P426-L464 HydrophobicContact CG-CD2 4.41Å; P426-K467 HydrophobicContact CG-CB 3.93Å; P426-E468 WeakPolarHBondContact CB-OE2 3.4Å; P426-L482 HydrophobicContact CB-CD1 4.28Å |
| 427 | G | 85 | Confident | 89.7 | Confident | 5 Ų | 5 | 10.6 Ų | 10.6 | 5% | 0.052 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -56.9 | -35.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | N425 Q431 | N425-G427 VanDerWaalsContact C-N 3.26Å; N425-G427 PolarHBondContact O-N 2.94Å; G427-Q431 WeakPolarHBondContact O-CB 3.29Å; G427-Q431 VanDerWaalsContact O-CG 3.28Å; G427-Q431 WeakPolarHBondContact O-CG 3.45Å; G427-Q431 PolarHBondContact O-N 2.85Å |
| 428 | H | 86.4 | Confident | 89.2 | Confident | 27 Ų | 27 | 14.2 Ų | 14.2 | 13% | 0.125 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -73.5 | -32.7 | 176.3 | -75.9 | -87 | 0 | 0 | 0 | 112.7 | Y423 N425 P426 Q431 A432 | Y423-H428 HydrophobicContact CD1-CB 3.81Å; Y423-H428 HydrophobicContact CE1-CB 4.02Å; Y423-H428 AromaticContact CE1-CD2 3.85Å; Y423-H428 AromaticContact CE1-CG 3.92Å; N425-H428 PolarHBondContact O-N 3.47Å; P426-H428 VanDerWaalsContact C-N 3.26Å; P426-H428 PolarHBondContact O-N 3.16Å; H428-Q431 PolarHBondContact O-N 2.86Å; H428-A432 PolarHBondContact O-N 3.31Å; H428-A432 VanDerWaalsContact O-N 3.11Å |
| 429 | M | 88.1 | Confident | 88.4 | Confident | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -70.5 | -45.7 | 175.8 | -53.2 | -165.6 | -41.9 | 0 | 0 | 110.5 | F419 L422 P426 Q431 A432 E433 Y449 L464 L482 | F419-M429 HydrophobicContact CE1-CB 4.19Å; F419-M429 HydrophobicContact CE1-CG 4.43Å; F419-M429 HydrophobicContact CZ-CB 4.14Å; L422-M429 HydrophobicContact CD2-SD 4.38Å; P426-M429 PolarHBondContact O-N 2.83Å; M429-Q431 VanDerWaalsContact C-N 3.28Å; M429-Q431 PolarHBondContact O-N 2.85Å; M429-A432 WeakPolarHBondContact O-CA 3.31Å; M429-A432 WeakPolarHBondContact O-CB 3.47Å; M429-A432 PolarHBondContact O-N 3.02Å; M429-E433 WeakPolarHBondContact O-CG 3.12Å; M429-E433 PolarHBondContact O-N 3.44Å; M429-Y449 HydrophobicContact CE-CE1 4.17Å; M429-L464 HydrophobicContact CE-CD1 3.74Å; M429-L464 HydrophobicContact CE-CD2 3.92Å; M429-L464 HydrophobicContact CE-CG 4.37Å; M429-L464 HydrophobicContact SD-CD1 3.91Å; M429-L464 HydrophobicContact SD-CD2 4.32Å; M429-L482 HydrophobicContact CE-CD1 3.65Å; M429-L482 HydrophobicContact CE-CD2 4.46Å |
| 430 | K | 87.2 | Confident | 87.5 | Confident | 40 Ų | 40 | 21.3 Ų | 21.3 | 17% | 0.174 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -55.3 | -43.2 | 169.6 | -72.4 | -179.3 | 168.7 | 179.8 | 0 | 111.5 | M60 P426 A432 E433 D434 E468 | M60-K430 HydrophobicContact CE-CB 4.46Å; P426-K430 PolarHBondContact O-N 3.15Å; K430-A432 PolarHBondContact O-N 2.8Å; K430-E433 PolarHBondContact O-N 3.13Å; K430-D434 WeakPolarHBondContact O-CB 3.24Å; K430-D434 PolarHBondContact O-N 2.68Å; K430-D434 VanDerWaalsContact O-N 3.08Å; K430-E468 WeakPolarHBondContact CE-OE2 3.48Å; K430-E468 IonicContact NZ-OE1 3.71Å; K430-E468 PolarHBondContact NZ-OE1 3.42Å; K430-E468 IonicContact NZ-OE2 3.29Å; K430-E468 PolarHBondContact NZ-OE2 3.35Å |
| 431 | Q | 87.3 | Confident | 86.9 | Confident | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.9 | -25.4 | 174.4 | -81 | -178 | 18.5 | 0 | 0 | 114.8 | M60 H159 T188 Q407 G427 H428 M429 R435 | M60-Q431 HydrophobicContact CE-CB 4.35Å; M60-Q431 HydrophobicContact CE-CG 3.75Å; M60-Q431 VanDerWaalsContact SD-CA 3.56Å; M60-Q431 HydrophobicContact SD-CB 4.12Å; M60-Q431 HydrophobicContact SD-CG 3.75Å; H159-Q431 PolarHBondContact CE1-NE2 3.07Å; T188-Q431 PolarHBondContact OG1-NE2 3.29Å; Q407-Q431 VanDerWaalsContact NE2-OE1 3.17Å; G427-Q431 WeakPolarHBondContact O-CB 3.29Å; G427-Q431 VanDerWaalsContact O-CG 3.28Å; G427-Q431 WeakPolarHBondContact O-CG 3.45Å; G427-Q431 PolarHBondContact O-N 2.85Å; H428-Q431 PolarHBondContact O-N 2.86Å; M429-Q431 VanDerWaalsContact C-N 3.28Å; M429-Q431 PolarHBondContact O-N 2.85Å; Q431-R435 WeakPolarHBondContact O-CG 3.06Å; Q431-R435 PolarHBondContact O-NE 2.78Å; Q431-R435 PolarHBondContact O-NH2 2.85Å |
| 432 | A | 88.9 | Confident | 86.4 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -86.7 | -43.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F349 F419 H428 M429 K430 D434 R435 | F349-A432 HydrophobicContact CD1-CB 4.01Å; F349-A432 HydrophobicContact CD2-CB 4.04Å; F349-A432 HydrophobicContact CE1-CB 3.75Å; F349-A432 HydrophobicContact CE2-CB 3.79Å; F349-A432 HydrophobicContact CG-CB 4.15Å; F349-A432 HydrophobicContact CZ-CB 3.64Å; F419-A432 HydrophobicContact CE1-CB 4.02Å; F419-A432 HydrophobicContact CZ-CB 3.88Å; H428-A432 PolarHBondContact O-N 3.31Å; H428-A432 VanDerWaalsContact O-N 3.11Å; M429-A432 WeakPolarHBondContact O-CA 3.31Å; M429-A432 WeakPolarHBondContact O-CB 3.47Å; M429-A432 PolarHBondContact O-N 3.02Å; K430-A432 PolarHBondContact O-N 2.8Å; A432-D434 VanDerWaalsContact C-N 3.31Å; A432-D434 PolarHBondContact O-N 2.84Å; A432-R435 WeakPolarHBondContact O-CB 3.49Å; A432-R435 VanDerWaalsContact O-CG 3.28Å; A432-R435 WeakPolarHBondContact O-CG 3.5Å; A432-R435 PolarHBondContact O-N 2.75Å |
| 433 | E | 90 | Very high | 86 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -54.2 | -46.3 | 173.7 | -67 | 163.7 | -153.2 | 0 | 0 | 112.3 | K267 R269 F419 M429 K430 R435 A436 H437 V447 Y449 | K267-E433 HydrophobicContact CD-CB 4Å; K267-E433 HydrophobicContact CD-CG 4.47Å; K267-E433 WeakPolarHBondContact CE-OE2 3.16Å; K267-E433 IonicContact NZ-OE2 2.75Å; K267-E433 PolarHBondContact NZ-OE2 3.25Å; R269-E433 IonicContact CZ-OE2 3.88Å; R269-E433 IonicContact NE-OE1 2.73Å; R269-E433 IonicContact NE-OE2 3.58Å; R269-E433 PolarHBondContact NE-OE2 3.38Å; R269-E433 IonicContact NH2-OE1 3.32Å; R269-E433 IonicContact NH2-OE2 2.73Å; R269-E433 PolarHBondContact NH2-OE2 3.18Å; F419-E433 HydrophobicContact CE2-CG 3.85Å; F419-E433 HydrophobicContact CZ-CG 4.07Å; M429-E433 WeakPolarHBondContact O-CG 3.12Å; M429-E433 PolarHBondContact O-N 3.44Å; K430-E433 PolarHBondContact O-N 3.13Å; E433-R435 PolarHBondContact O-N 3.19Å; E433-R435 VanDerWaalsContact O-N 3.09Å; E433-A436 PolarHBondContact O-N 3.04Å; E433-H437 PolarHBondContact O-N 3.11Å; E433-V447 HydrophobicContact CG-CG1 3.99Å; E433-V447 HydrophobicContact CG-CG2 4.19Å; E433-Y449 PolarHBondContact OE1-OH 2.86Å |
| 434 | D | 88.3 | Confident | 85.9 | Confident | 4 Ų | 4 | 31.7 Ų | 31.7 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 9.2 | -174.9 | -67.7 | -36.8 | 0 | 0 | 0 | 113.9 | M60 K257 K267 K430 A432 H437 | M60-D434 HydrophobicContact CE-CB 4.4Å; M60-D434 HydrophobicContact CG-CB 3.54Å; M60-D434 HydrophobicContact SD-CB 3.8Å; K257-D434 IonicContact NZ-OD1 3.94Å; K257-D434 PolarHBondContact NZ-OD1 3.18Å; K257-D434 IonicContact NZ-OD2 3.35Å; K267-D434 IonicContact NZ-OD1 2.8Å; K267-D434 PolarHBondContact NZ-OD1 2.89Å; K267-D434 IonicContact NZ-OD2 3.58Å; K430-D434 WeakPolarHBondContact O-CB 3.24Å; K430-D434 PolarHBondContact O-N 2.68Å; K430-D434 VanDerWaalsContact O-N 3.08Å; A432-D434 VanDerWaalsContact C-N 3.31Å; A432-D434 PolarHBondContact O-N 2.84Å; D434-H437 IonicContact OD1-CE1 3.99Å; D434-H437 PolarHBondContact OD1-CE1 3.06Å; D434-H437 IonicContact OD1-ND1 2.35Å; D434-H437 PolarHBondContact OD1-ND1 3.33Å |
| 435 | R | 87.1 | Confident | 86.1 | Confident | 13 Ų | 13 | 29 Ų | 29 | 5% | 0.049 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -34.9 | 165.8 | -55.7 | -67.3 | 139.2 | -154.3 | -5.3 | 112.1 | G406 L409 F411 Q431 A432 E433 | G406-R435 VanDerWaalsContact O-CZ 3.3Å; G406-R435 PolarHBondContact O-NE 3.29Å; G406-R435 PolarHBondContact O-NH2 2.72Å; L409-R435 WeakPolarHBondContact O-CD 3.36Å; L409-R435 PolarHBondContact O-NH1 2.94Å; F411-R435 HydrophobicContact CD2-CB 3.92Å; F411-R435 PolarHBondContact N-O 3.32Å; Q431-R435 WeakPolarHBondContact O-CG 3.06Å; Q431-R435 PolarHBondContact O-NE 2.78Å; Q431-R435 PolarHBondContact O-NH2 2.85Å; A432-R435 WeakPolarHBondContact O-CB 3.49Å; A432-R435 VanDerWaalsContact O-CG 3.28Å; A432-R435 WeakPolarHBondContact O-CG 3.5Å; A432-R435 PolarHBondContact O-N 2.75Å; E433-R435 PolarHBondContact O-N 3.19Å; E433-R435 VanDerWaalsContact O-N 3.09Å |
| 436 | A | 89 | Confident | 86.4 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -40 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | L347 A414 V417 E433 R438 Q441 V445 | L347-A436 HydrophobicContact CD1-CB 4.07Å; A414-A436 HydrophobicContact CB-CB 4.37Å; V417-A436 HydrophobicContact CG2-CB 3.83Å; E433-A436 PolarHBondContact O-N 3.04Å; A436-R438 PolarHBondContact O-N 3.08Å; A436-R438 VanDerWaalsContact O-N 3.08Å; A436-Q441 PolarHBondContact O-NE2 3.32Å; A436-V445 HydrophobicContact CB-CG1 4.15Å |
| 437 | H | 88.4 | Confident | 86.7 | Confident | 20 Ų | 20 | 29.7 Ų | 29.7 | 9% | 0.093 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -84.9 | 74.8 | 178.6 | -177.4 | -113.4 | 0 | 0 | 0 | 111.3 | K257 K267 E433 D434 V445 | K257-H437 VanDerWaalsContact CD-CE1 3.42Å; K257-H437 WeakPolarHBondContact CD-CE1 3.4Å; K257-H437 WeakPolarHBondContact CD-NE2 3.5Å; K257-H437 PolarHBondContact NZ-CE1 2.96Å; K257-H437 PolarHBondContact NZ-ND1 3.49Å; K257-H437 PolarHBondContact NZ-O 3.48Å; K267-H437 HydrophobicContact CD-CB 4.25Å; K267-H437 VanDerWaalsContact CE-CE1 3.48Å; K267-H437 WeakPolarHBondContact CE-CE1 3.17Å; K267-H437 PolarHBondContact NZ-CE1 3.28Å; E433-H437 PolarHBondContact O-N 3.11Å; D434-H437 IonicContact OD1-CE1 3.99Å; D434-H437 PolarHBondContact OD1-CE1 3.06Å; D434-H437 IonicContact OD1-ND1 2.35Å; D434-H437 PolarHBondContact OD1-ND1 3.33Å; H437-V445 HydrophobicContact CB-CB 4.24Å; H437-V445 HydrophobicContact CB-CG1 4.4Å; H437-V445 HydrophobicContact CB-CG2 3.99Å |
| 438 | R | 84.6 | Confident | 87.1 | Confident | 78 Ų | 78 | 30.1 Ų | 30.1 | 29% | 0.294 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -137.7 | 161.5 | -176.6 | -163.4 | 171.9 | -179.6 | 170.2 | 1.4 | 110.5 | L409 T410 T412 A436 G440 Q441 | L409-R438 PolarHBondContact O-NH1 3.43Å; T410-R438 PolarHBondContact OG1-NH1 2.86Å; T412-R438 HydrophobicContact CG2-CB 4.02Å; A436-R438 PolarHBondContact O-N 3.08Å; A436-R438 VanDerWaalsContact O-N 3.08Å; R438-G440 PolarHBondContact O-N 2.87Å; R438-Q441 WeakPolarHBondContact O-CB 3.38Å; R438-Q441 PolarHBondContact O-N 3.27Å |
| 439 | I | 77.8 | Confident | 87.5 | Confident | 91 Ų | 91 | 28.9 Ų | 28.9 | 47% | 0.467 | 17% | 0.17 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | 130.3 | 174 | -56.4 | 174.7 | 0 | 0 | 0 | 109.2 | M37 G61 L261 | M37-I439 HydrophobicContact CE-CD1 4.46Å; G61-I439 WeakPolarHBondContact O-CD1 3.46Å; L261-I439 HydrophobicContact CD1-CD1 4.01Å; L261-I439 HydrophobicContact CD1-CG1 3.81Å |
| 440 | G | 77.3 | Confident | 87.8 | Confident | 59 Ų | 59 | 29 Ų | 29 | 61% | 0.608 | 17% | 0.17 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 99.7 | -6 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | R438 | R438-G440 PolarHBondContact O-N 2.87Š|
| 441 | Q | 82.8 | Confident | 88.1 | Confident | 15 Ų | 15 | 27.6 Ų | 27.6 | 7% | 0.07 | 17% | 0.165 | C | C | . | . | trans | -77 | 130.5 | 167.1 | 178.4 | 59.7 | -99.9 | 0 | 0 | 110.8 | L264 T412 A414 A436 R438 S443 V445 | L264-Q441 HydrophobicContact CD1-CB 4.26Å; T412-Q441 HydrophobicContact CG2-CB 4.4Å; T412-Q441 PolarHBondContact O-NE2 3.34Å; T412-Q441 VanDerWaalsContact O-NE2 3.07Å; A414-Q441 PolarHBondContact O-NE2 3.3Å; A436-Q441 PolarHBondContact O-NE2 3.32Å; R438-Q441 WeakPolarHBondContact O-CB 3.38Å; R438-Q441 PolarHBondContact O-N 3.27Å; Q441-S443 WeakPolarHBondContact CG-O 3.49Å; Q441-S443 PolarHBondContact OE1-O 2.83Å; Q441-V445 HydrophobicContact CG-CG2 3.81Å | ||
| 442 | T | 81.4 | Confident | 88.2 | Confident | 127 Ų | 127 | 27.6 Ų | 27.6 | 78% | 0.779 | 17% | 0.165 | S | C | * | . | trans | -105.9 | -18.6 | 178.1 | 55.6 | 0 | 0 | 0 | 0 | 113.7 | P265 | P265-T442 WeakPolarHBondContact CG-O 3.43Š| ||
| 443 | S | 84.9 | Confident | 88 | Confident | 53 Ų | 53 | 31.3 Ų | 31.3 | 37% | 0.371 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -105 | 150.2 | -178.9 | -58.5 | 0 | 0 | 0 | 0 | 112.3 | P265 Q441 V445 | P265-S443 WeakPolarHBondContact CB-O 3.27Å; Q441-S443 WeakPolarHBondContact CG-O 3.49Å; Q441-S443 PolarHBondContact OE1-O 2.83Å; S443-V445 PolarHBondContact O-N 3.15Å |
| 444 | S | 88.3 | Confident | 87.5 | Confident | 50 Ų | 50 | 33.7 Ų | 33.7 | 35% | 0.35 | 21% | 0.205 | S | C | . | . | trans | -56.3 | 135.6 | 165 | -59.5 | 0 | 0 | 0 | 0 | 110.3 | P266 | P266-S444 WeakPolarHBondContact O-CA 3.41Š| ||
| 445 | V | 91.6 | Very high | 87.4 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 111.3 | -175.8 | -179.8 | 0 | 0 | 0 | 0 | 110.2 | P266 K267 I268 S415 V417 A436 H437 Q441 S443 V447 | P266-V445 PolarHBondContact O-N 3.41Å; P266-V445 VanDerWaalsContact O-N 3.07Å; K267-V445 CarbonylContact C-O 3.57Å; K267-V445 WeakPolarHBondContact CA-O 3.28Å; I268-V445 PolarHBondContact N-O 2.88Å; S415-V445 WeakPolarHBondContact O-CA 3.47Å; V417-V445 HydrophobicContact CG2-CG1 3.98Å; A436-V445 HydrophobicContact CB-CG1 4.15Å; H437-V445 HydrophobicContact CB-CB 4.24Å; H437-V445 HydrophobicContact CB-CG1 4.4Å; H437-V445 HydrophobicContact CB-CG2 3.99Å; Q441-V445 HydrophobicContact CG-CG2 3.81Å; S443-V445 PolarHBondContact O-N 3.15Å; V445-V447 HydrophobicContact CG1-CG2 4.25Å |
| 446 | N | 92.1 | Very high | 87.4 | Confident | 40 Ų | 40 | 33.3 Ų | 33.3 | 21% | 0.214 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 121 | 178.7 | -69.4 | -26.6 | 0 | 0 | 0 | 110.3 | S415 H416 V417 | S415-N446 PolarHBondContact O-N 2.68Å; H416-N446 CarbonylContact C-O 3.44Å; H416-N446 WeakPolarHBondContact CA-O 3.31Å; H416-N446 PolarHBondContact NE2-ND2 3.42Å; V417-N446 PolarHBondContact N-O 2.93Å |
| 447 | V | 94.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 110.8 | -178.2 | -177.1 | 0 | 0 | 0 | 0 | 110 | K267 I268 R269 Q270 V417 F419 E433 V445 Y449 | K267-V447 HydrophobicContact CD-CG2 3.89Å; K267-V447 HydrophobicContact CG-CG2 3.81Å; I268-V447 PolarHBondContact O-N 3.44Å; R269-V447 CarbonylContact C-O 3.49Å; R269-V447 WeakPolarHBondContact CA-O 3.37Å; R269-V447 HydrophobicContact CG-CB 4.14Å; Q270-V447 PolarHBondContact N-O 2.92Å; V417-V447 HydrophobicContact CB-CG2 4.25Å; V417-V447 CarbonylContact O-C 3.5Å; V417-V447 VanDerWaalsContact O-CA 3.32Å; V417-V447 WeakPolarHBondContact O-CA 3.22Å; F419-V447 HydrophobicContact CD2-CG1 3.93Å; F419-V447 HydrophobicContact CE2-CG1 3.73Å; E433-V447 HydrophobicContact CG-CG1 3.99Å; E433-V447 HydrophobicContact CG-CG2 4.19Å; V445-V447 HydrophobicContact CG1-CG2 4.25Å; V447-Y449 HydrophobicContact CG1-CE1 4.12Å; V447-Y449 HydrophobicContact CG1-CE2 3.95Å |
| 448 | H | 94.3 | Very high | 87.3 | Confident | 15 Ų | 15 | 35.1 Ų | 35.1 | 7% | 0.069 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 121.7 | -178.5 | -62 | 178.9 | 0 | 0 | 0 | 110.4 | Q270 I272 Y334 V417 V418 F419 | Q270-H448 CarbonylContact O-C 3.51Å; Q270-H448 WeakPolarHBondContact O-CA 3.39Å; I272-H448 HydrophobicContact CD1-CB 3.87Å; I272-H448 HydrophobicContact CG1-CB 4.44Å; Y334-H448 PolarHBondContact OH-ND1 3.36Å; V417-H448 PolarHBondContact O-N 3.04Å; V418-H448 WeakPolarHBondContact CA-O 3.23Å; F419-H448 PolarHBondContact N-O 2.62Å |
| 449 | Y | 94.8 | Very high | 87.5 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 112.3 | 170.7 | -49.6 | -87.7 | 0 | 0 | 0 | 108.9 | R269 Q270 I272 F419 L422 M429 E433 V447 I451 W461 A484 | R269-Y449 HydrophobicContact CB-CE2 4.13Å; R269-Y449 VanDerWaalsContact CD-OH 3.29Å; R269-Y449 WeakPolarHBondContact CD-OH 3.36Å; R269-Y449 HydrophobicContact CG-CE2 4.14Å; R269-Y449 PolarHBondContact NE-OH 3.39Å; Q270-Y449 WeakPolarHBondContact O-CD2 3.39Å; Q270-Y449 PolarHBondContact O-N 3.02Å; I272-Y449 PolarHBondContact N-O 3.09Å; F419-Y449 HydrophobicContact CB-CD1 3.85Å; F419-Y449 AromaticContact CD2-CD1 3.51Å; F419-Y449 HydrophobicContact CD2-CD1 3.51Å; F419-Y449 AromaticContact CD2-CE1 3.43Å; F419-Y449 HydrophobicContact CD2-CE1 3.43Å; F419-Y449 VanDerWaalsContact CD2-CE1 3.43Å; F419-Y449 HydrophobicContact CD2-CG 4.49Å; F419-Y449 HydrophobicContact CE2-CD1 4.28Å; F419-Y449 AromaticContact CE2-CE1 3.72Å; F419-Y449 HydrophobicContact CE2-CE1 3.72Å; F419-Y449 AromaticContact CG-CD1 3.83Å; F419-Y449 HydrophobicContact CG-CD1 3.83Å; F419-Y449 HydrophobicContact CG-CE1 4.06Å; L422-Y449 HydrophobicContact CD2-CD1 4.11Å; M429-Y449 HydrophobicContact CE-CE1 4.17Å; E433-Y449 PolarHBondContact OE1-OH 2.86Å; V447-Y449 HydrophobicContact CG1-CE1 4.12Å; V447-Y449 HydrophobicContact CG1-CE2 3.95Å; Y449-I451 PolarHBondContact O-N 3.12Å; Y449-W461 HydrophobicContact CD1-CZ3 4.03Å; Y449-W461 AromaticContact CD2-CH2 3.83Å; Y449-W461 HydrophobicContact CD2-CH2 3.83Å; Y449-W461 AromaticContact CD2-CZ3 3.9Å; Y449-W461 HydrophobicContact CD2-CZ3 3.9Å; Y449-W461 HydrophobicContact CE1-CZ3 4.41Å; Y449-W461 AromaticContact CE2-CH2 3.96Å; Y449-W461 HydrophobicContact CE2-CH2 3.96Å; Y449-W461 HydrophobicContact CE2-CZ3 4.28Å; Y449-W461 HydrophobicContact CG-CH2 4.19Å; Y449-W461 AromaticContact CG-CZ3 3.77Å; Y449-W461 HydrophobicContact CG-CZ3 3.77Å; Y449-A484 HydrophobicContact CD2-CB 4.27Å; Y449-A484 HydrophobicContact CE2-CB 4.13Å |
| 450 | L | 93.9 | Very high | 88 | Confident | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 118.3 | 177.4 | -56.2 | -174.9 | 0 | 0 | 0 | 108.5 | I272 F274 K327 V331 Y334 V418 F419 | I272-L450 HydrophobicContact CB-CD2 3.84Å; I272-L450 HydrophobicContact CD1-CD2 3.87Å; I272-L450 HydrophobicContact CG1-CD2 4.31Å; I272-L450 HydrophobicContact CG2-CD2 4.06Å; F274-L450 HydrophobicContact CE1-CB 4.13Å; K327-L450 PolarHBondContact NZ-O 3.44Å; V331-L450 HydrophobicContact CG2-CD1 3.93Å; Y334-L450 HydrophobicContact CD1-CD1 3.94Å; Y334-L450 HydrophobicContact CD1-CD2 4.39Å; Y334-L450 HydrophobicContact CD2-CD2 4Å; Y334-L450 HydrophobicContact CE1-CD2 4.43Å; Y334-L450 HydrophobicContact CE2-CD2 4.02Å; Y334-L450 HydrophobicContact CG-CD1 4.04Å; Y334-L450 HydrophobicContact CG-CD2 4.2Å; V418-L450 HydrophobicContact CG1-CD1 3.84Å; V418-L450 HydrophobicContact CG1-CG 4.05Å; F419-L450 PolarHBondContact O-N 3.47Å |
| 451 | I | 91.9 | Very high | 88.7 | Confident | 12 Ų | 12 | 27.6 Ų | 27.6 | 6% | 0.062 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 117.5 | -172.8 | -67.2 | 178.7 | 0 | 0 | 0 | 109.5 | R271 I272 P273 F274 L422 Y449 D457 W461 | R271-I451 HydrophobicContact CB-CD1 4.09Å; R271-I451 HydrophobicContact CG-CD1 3.88Å; I272-I451 PolarHBondContact O-N 3.01Å; P273-I451 WeakPolarHBondContact CA-O 3.47Å; F274-I451 WeakPolarHBondContact CD1-O 3.2Å; F274-I451 PolarHBondContact N-O 3.23Å; L422-I451 HydrophobicContact CD1-CG1 4.49Å; Y449-I451 PolarHBondContact O-N 3.12Å; I451-D457 HydrophobicContact CG2-CB 4.04Å; I451-W461 HydrophobicContact CD1-CD2 4.01Å; I451-W461 HydrophobicContact CD1-CE3 3.96Å; I451-W461 HydrophobicContact CD1-CG 4.23Å |
| 452 | A | 90.2 | Very high | 89 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 119.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | F274 L276 K327 T455 D457 | F274-A452 HydrophobicContact CE1-CB 4.49Å; F274-A452 HydrophobicContact CE2-CB 4.16Å; F274-A452 HydrophobicContact CZ-CB 4.02Å; F274-A452 WeakPolarHBondContact O-CA 3.49Å; L276-A452 HydrophobicContact CD1-CB 4.3Å; L276-A452 HydrophobicContact CD2-CB 4.23Å; L276-A452 HydrophobicContact CG-CB 4.04Å; K327-A452 HydrophobicContact CD-CB 3.8Å; K327-A452 HydrophobicContact CG-CB 3.67Å; A452-T455 HydrophobicContact CB-CG2 3.51Å; A452-T455 PolarHBondContact O-N 3.31Å; A452-T455 PolarHBondContact O-OG1 3.48Å; A452-D457 PolarHBondContact N-OD2 2.9Å |
| 453 | K | 85.9 | Confident | 89.3 | Confident | 78 Ų | 78 | 26.7 Ų | 26.7 | 34% | 0.339 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 149.7 | 173.4 | -64 | -177.7 | -124.8 | 155.4 | 0 | 110.3 | P273 F274 D275 T455 | P273-K453 VanDerWaalsContact C-CE 3.49Å; P273-K453 HydrophobicContact CB-CG 4.4Å; P273-K453 WeakPolarHBondContact O-CE 3.45Å; F274-K453 PolarHBondContact O-N 2.94Å; D275-K453 WeakPolarHBondContact OD1-CB 3.39Å; D275-K453 WeakPolarHBondContact OD1-CD 3.49Å; D275-K453 IonicContact OD1-NZ 3.77Å; D275-K453 WeakPolarHBondContact OD2-CE 3.27Å; D275-K453 IonicContact OD2-NZ 2.65Å; D275-K453 PolarHBondContact OD2-NZ 3.29Å; K453-T455 PolarHBondContact O-N 3.06Å |
| 454 | G | 79.4 | Confident | 89.5 | Confident | 50 Ų | 50 | 24.2 Ų | 24.2 | 52% | 0.515 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 2.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 455 | T | 85.6 | Confident | 89.6 | Confident | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.012 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -109.5 | 174.8 | 178.8 | 78.8 | 0 | 0 | 0 | 0 | 113.2 | L276 T323 A452 K453 D457 T458 | L276-T455 HydrophobicContact CD1-CG2 3.39Å; L276-T455 HydrophobicContact CG-CG2 4.29Å; T323-T455 HydrophobicContact CG2-CG2 4.37Å; T323-T455 WeakPolarHBondContact CG2-OG1 3.43Å; A452-T455 HydrophobicContact CB-CG2 3.51Å; A452-T455 PolarHBondContact O-N 3.31Å; A452-T455 PolarHBondContact O-OG1 3.48Å; K453-T455 PolarHBondContact O-N 3.06Å; T455-D457 PolarHBondContact O-N 3.37Å; T455-D457 PolarHBondContact OG1-N 3.33Å; T455-T458 PolarHBondContact O-N 3.46Å; T455-T458 PolarHBondContact O-OG1 2.92Å |
| 456 | F | 86.4 | Confident | 89.4 | Confident | 8 Ų | 8 | 30.7 Ų | 30.7 | 4% | 0.035 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.5 | -17.8 | 175.6 | -170.5 | -115.5 | 0 | 0 | 0 | 114.5 | V316 M319 W424 T458 V459 M460 | V316-F456 HydrophobicContact CG1-CE1 4.44Å; V316-F456 HydrophobicContact CG1-CZ 3.88Å; M319-F456 HydrophobicContact CB-CB 4.36Å; M319-F456 HydrophobicContact CB-CG 4.34Å; M319-F456 HydrophobicContact CE-CB 4.19Å; M319-F456 HydrophobicContact CE-CD2 3.53Å; M319-F456 HydrophobicContact CE-CE2 4.26Å; M319-F456 HydrophobicContact CE-CG 4.13Å; W424-F456 AromaticContact CH2-CE1 3.37Å; W424-F456 HydrophobicContact CH2-CE1 3.37Å; W424-F456 AromaticContact CH2-CZ 3.64Å; W424-F456 HydrophobicContact CH2-CZ 3.64Å; W424-F456 HydrophobicContact CZ2-CE1 4.21Å; W424-F456 AromaticContact CZ3-CE1 3.78Å; W424-F456 HydrophobicContact CZ3-CE1 3.78Å; W424-F456 AromaticContact CZ3-CZ 3.77Å; W424-F456 HydrophobicContact CZ3-CZ 3.77Å; F456-T458 PolarHBondContact O-N 2.68Å; F456-V459 HydrophobicContact CD2-CB 4.04Å; F456-V459 HydrophobicContact CD2-CG1 4.37Å; F456-V459 HydrophobicContact CE2-CB 4.14Å; F456-V459 HydrophobicContact CE2-CG1 3.98Å; F456-V459 PolarHBondContact O-N 2.97Å; F456-M460 HydrophobicContact CD1-CE 3.99Å; F456-M460 HydrophobicContact CE1-CE 3.54Å; F456-M460 PolarHBondContact O-N 2.78Å |
| 457 | D | 89.7 | Confident | 89.3 | Confident | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -54.8 | -37.6 | 173.2 | -80.5 | -23.1 | 0 | 0 | 0 | 112 | K327 L422 I451 A452 T455 V459 M460 W461 | K327-D457 VanDerWaalsContact CD-OD2 3.27Å; K327-D457 WeakPolarHBondContact CD-OD2 3.28Å; K327-D457 WeakPolarHBondContact CE-OD2 3.47Å; K327-D457 IonicContact NZ-OD1 3.24Å; K327-D457 IonicContact NZ-OD2 3.99Å; K327-D457 PolarHBondContact NZ-OD2 3.25Å; L422-D457 HydrophobicContact CD1-CB 4.13Å; I451-D457 HydrophobicContact CG2-CB 4.04Å; A452-D457 PolarHBondContact N-OD2 2.9Å; T455-D457 PolarHBondContact O-N 3.37Å; T455-D457 PolarHBondContact OG1-N 3.33Å; D457-V459 PolarHBondContact O-N 3.4Å; D457-M460 PolarHBondContact O-N 2.91Å; D457-W461 WeakPolarHBondContact O-CB 3.47Å; D457-W461 PolarHBondContact O-N 3.15Å |
| 458 | T | 87.1 | Confident | 89.1 | Confident | 53 Ų | 53 | 30.2 Ų | 30.2 | 33% | 0.325 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -64.1 | -41.4 | -178.8 | 61.3 | 0 | 0 | 0 | 0 | 112.2 | T455 F456 S462 | T455-T458 PolarHBondContact O-N 3.46Å; T455-T458 PolarHBondContact O-OG1 2.92Å; F456-T458 PolarHBondContact O-N 2.68Å; T458-S462 PolarHBondContact O-N 3.24Å; T458-S462 PolarHBondContact O-OG 3Å |
| 459 | V | 86.7 | Confident | 88.9 | Confident | 43 Ų | 43 | 30.8 Ų | 30.8 | 26% | 0.261 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -70.2 | -42.6 | 174.8 | -179.9 | 0 | 0 | 0 | 0 | 110.2 | F288 W291 F456 D457 S462 M463 | F288-V459 HydrophobicContact CE2-CG2 3.77Å; F288-V459 HydrophobicContact CZ-CG2 3.91Å; W291-V459 HydrophobicContact CH2-CG1 4.42Å; F456-V459 HydrophobicContact CD2-CB 4.04Å; F456-V459 HydrophobicContact CD2-CG1 4.37Å; F456-V459 HydrophobicContact CE2-CB 4.14Å; F456-V459 HydrophobicContact CE2-CG1 3.98Å; F456-V459 PolarHBondContact O-N 2.97Å; D457-V459 PolarHBondContact O-N 3.4Å; V459-S462 PolarHBondContact O-N 3.38Å; V459-M463 WeakPolarHBondContact O-CB 3.17Å; V459-M463 PolarHBondContact O-N 2.92Å |
| 460 | M | 89.5 | Confident | 88.7 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.6 | -41.5 | 178.3 | -168.3 | 174.2 | -61.3 | 0 | 0 | 112 | Y320 L422 W424 F456 D457 S462 M463 L464 | Y320-M460 HydrophobicContact CD2-CE 3.57Å; Y320-M460 HydrophobicContact CE2-CE 3.54Å; Y320-M460 HydrophobicContact CE2-SD 4.23Å; Y320-M460 HydrophobicContact CG-CE 4.28Å; L422-M460 HydrophobicContact CB-CG 4.18Å; L422-M460 HydrophobicContact CB-SD 3.54Å; L422-M460 VanDerWaalsContact CB-SD 3.54Å; L422-M460 HydrophobicContact CD1-CB 4.3Å; W424-M460 HydrophobicContact CD2-CE 3.95Å; W424-M460 HydrophobicContact CE3-CE 3.91Å; W424-M460 HydrophobicContact CH2-CE 3.9Å; W424-M460 HydrophobicContact CZ2-CE 3.91Å; W424-M460 HydrophobicContact CZ3-CE 3.9Å; F456-M460 HydrophobicContact CD1-CE 3.99Å; F456-M460 HydrophobicContact CE1-CE 3.54Å; F456-M460 PolarHBondContact O-N 2.78Å; D457-M460 PolarHBondContact O-N 2.91Å; M460-S462 VanDerWaalsContact C-N 3.33Å; M460-S462 PolarHBondContact O-N 3.2Å; M460-M463 PolarHBondContact O-N 2.83Å; M460-L464 HydrophobicContact CG-CD1 3.99Å; M460-L464 HydrophobicContact CG-CG 4.35Å; M460-L464 VanDerWaalsContact O-CB 3.28Å; M460-L464 WeakPolarHBondContact O-CB 3.35Å; M460-L464 VanDerWaalsContact O-CG 3.28Å; M460-L464 WeakPolarHBondContact O-CG 3.38Å; M460-L464 PolarHBondContact O-N 2.9Å |
| 461 | W | 91.1 | Very high | 88.6 | Confident | 26 Ų | 26 | 32.8 Ų | 32.8 | 10% | 0.098 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.8 | -39.9 | 176.3 | -173.6 | -99.9 | 0 | 0 | 0 | 112.6 | R271 L422 Y449 I451 D457 L464 N465 L482 A484 | R271-W461 HydrophobicContact CG-CH2 4.21Å; R271-W461 HydrophobicContact CG-CZ2 3.98Å; L422-W461 HydrophobicContact CD1-CB 4.15Å; L422-W461 HydrophobicContact CD1-CE3 4.14Å; L422-W461 HydrophobicContact CD2-CE3 3.94Å; L422-W461 HydrophobicContact CD2-CZ3 4.16Å; Y449-W461 HydrophobicContact CD1-CZ3 4.03Å; Y449-W461 AromaticContact CD2-CH2 3.83Å; Y449-W461 HydrophobicContact CD2-CH2 3.83Å; Y449-W461 AromaticContact CD2-CZ3 3.9Å; Y449-W461 HydrophobicContact CD2-CZ3 3.9Å; Y449-W461 HydrophobicContact CE1-CZ3 4.41Å; Y449-W461 AromaticContact CE2-CH2 3.96Å; Y449-W461 HydrophobicContact CE2-CH2 3.96Å; Y449-W461 HydrophobicContact CE2-CZ3 4.28Å; Y449-W461 HydrophobicContact CG-CH2 4.19Å; Y449-W461 AromaticContact CG-CZ3 3.77Å; Y449-W461 HydrophobicContact CG-CZ3 3.77Å; I451-W461 HydrophobicContact CD1-CD2 4.01Å; I451-W461 HydrophobicContact CD1-CE3 3.96Å; I451-W461 HydrophobicContact CD1-CG 4.23Å; D457-W461 WeakPolarHBondContact O-CB 3.47Å; D457-W461 PolarHBondContact O-N 3.15Å; W461-L464 PolarHBondContact O-N 3.08Å; W461-N465 VanDerWaalsContact CE2-ND2 3.33Å; W461-N465 PolarHBondContact NE1-ND2 3.33Å; W461-N465 PolarHBondContact O-N 2.92Å; W461-N465 PolarHBondContact O-ND2 2.66Å; W461-L482 HydrophobicContact CH2-CB 3.88Å; W461-L482 HydrophobicContact CH2-CD1 4.42Å; W461-L482 HydrophobicContact CZ2-CB 3.92Å; W461-L482 WeakPolarHBondContact CZ2-O 3.44Å; W461-A484 HydrophobicContact CH2-CB 3.89Å; W461-A484 HydrophobicContact CZ2-CB 3.89Å |
| 462 | S | 88.9 | Confident | 88.5 | Confident | 63 Ų | 63 | 32.3 Ų | 32.3 | 44% | 0.441 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -66.3 | -43.2 | 175.2 | -57.9 | 0 | 0 | 0 | 0 | 111.7 | T458 V459 M460 R466 | T458-S462 PolarHBondContact O-N 3.24Å; T458-S462 PolarHBondContact O-OG 3Å; V459-S462 PolarHBondContact O-N 3.38Å; M460-S462 VanDerWaalsContact C-N 3.33Å; M460-S462 PolarHBondContact O-N 3.2Å; S462-R466 WeakPolarHBondContact O-CG 3.32Å; S462-R466 PolarHBondContact O-N 2.69Å; S462-R466 VanDerWaalsContact O-N 3.08Å |
| 463 | M | 88 | Confident | 88.5 | Confident | 61 Ų | 61 | 33 Ų | 33 | 30% | 0.3 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -63.8 | -38.2 | 173.9 | 171.2 | 176.3 | 162 | 0 | 0 | 112.7 | W424 V459 M460 R466 K467 | W424-M463 HydrophobicContact CE3-CE 3.92Å; W424-M463 HydrophobicContact CE3-SD 4.35Å; V459-M463 WeakPolarHBondContact O-CB 3.17Å; V459-M463 PolarHBondContact O-N 2.92Å; M460-M463 PolarHBondContact O-N 2.83Å; M463-R466 PolarHBondContact O-N 3.14Å; M463-K467 PolarHBondContact O-N 2.86Å |
| 464 | L | 90.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.3 | -46.3 | 177.5 | -85.8 | 166.4 | 0 | 0 | 0 | 111.8 | L422 Y423 P426 M429 M460 W461 K467 E468 L482 | L422-L464 HydrophobicContact CB-CD1 4.24Å; L422-L464 HydrophobicContact CD1-CD1 4.38Å; L422-L464 HydrophobicContact CD2-CD1 4.4Å; Y423-L464 VanDerWaalsContact O-CD2 3.31Å; Y423-L464 WeakPolarHBondContact O-CD2 3.34Å; P426-L464 HydrophobicContact CB-CD2 3.96Å; P426-L464 HydrophobicContact CG-CD2 4.41Å; M429-L464 HydrophobicContact CE-CD1 3.74Å; M429-L464 HydrophobicContact CE-CD2 3.92Å; M429-L464 HydrophobicContact CE-CG 4.37Å; M429-L464 HydrophobicContact SD-CD1 3.91Å; M429-L464 HydrophobicContact SD-CD2 4.32Å; M460-L464 HydrophobicContact CG-CD1 3.99Å; M460-L464 HydrophobicContact CG-CG 4.35Å; M460-L464 VanDerWaalsContact O-CB 3.28Å; M460-L464 WeakPolarHBondContact O-CB 3.35Å; M460-L464 VanDerWaalsContact O-CG 3.28Å; M460-L464 WeakPolarHBondContact O-CG 3.38Å; M460-L464 PolarHBondContact O-N 2.9Å; W461-L464 PolarHBondContact O-N 3.08Å; L464-K467 PolarHBondContact O-N 2.93Å; L464-E468 WeakPolarHBondContact O-CB 3.43Å; L464-E468 PolarHBondContact O-N 2.82Å; L464-L482 HydrophobicContact CB-CD1 3.9Å |
| 465 | N | 90.6 | Very high | 89.3 | Confident | 27 Ų | 27 | 27.3 Ų | 27.3 | 14% | 0.144 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.8 | -43 | 174.6 | -82.2 | -72.8 | 0 | 0 | 0 | 112.4 | W461 K467 E468 T469 L482 | W461-N465 VanDerWaalsContact CE2-ND2 3.33Å; W461-N465 PolarHBondContact NE1-ND2 3.33Å; W461-N465 PolarHBondContact O-N 2.92Å; W461-N465 PolarHBondContact O-ND2 2.66Å; N465-K467 VanDerWaalsContact C-N 3.3Å; N465-K467 PolarHBondContact O-N 3.18Å; N465-E468 PolarHBondContact O-N 3.37Å; N465-E468 VanDerWaalsContact O-N 3.13Å; N465-T469 PolarHBondContact O-N 3.38Å; N465-T469 PolarHBondContact O-OG1 3.13Å; N465-T469 VanDerWaalsContact O-OG1 3.13Å; N465-L482 PolarHBondContact OD1-N 3.05Å |
| 466 | R | 86.6 | Confident | 89.5 | Confident | 160 Ų | 160 | 28.6 Ų | 28.6 | 60% | 0.604 | 15% | 0.148 | S | C | * | . | H | α-helix | trans | -56.7 | -42.3 | 174.2 | -74 | 170.8 | 171.2 | -165.5 | -10.7 | 111.9 | S462 M463 V470 E650 | S462-R466 WeakPolarHBondContact O-CG 3.32Å; S462-R466 PolarHBondContact O-N 2.69Å; S462-R466 VanDerWaalsContact O-N 3.08Å; M463-R466 PolarHBondContact O-N 3.14Å; R466-V470 WeakPolarHBondContact O-CG2 3.26Å; R466-V470 PolarHBondContact O-N 3.01Å; R466-E650 IonicContact NH2-OE1 3.35Å; R466-E650 PolarHBondContact NH2-OE1 3.33Å |
| 467 | K | 90.2 | Very high | 89.5 | Confident | 25 Ų | 25 | 29.9 Ų | 29.9 | 11% | 0.109 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.3 | -43.8 | 173.5 | -78 | -178.1 | 172.2 | -177.4 | 0 | 112.7 | W424 N425 P426 M463 L464 N465 T469 V470 T471 | W424-K467 PolarHBondContact O-NZ 2.88Å; N425-K467 PolarHBondContact OD1-NZ 3.33Å; P426-K467 HydrophobicContact CG-CB 3.93Å; M463-K467 PolarHBondContact O-N 2.86Å; L464-K467 PolarHBondContact O-N 2.93Å; N465-K467 VanDerWaalsContact C-N 3.3Å; N465-K467 PolarHBondContact O-N 3.18Å; K467-T469 VanDerWaalsContact C-N 3.34Å; K467-T469 PolarHBondContact O-N 3.48Å; K467-V470 PolarHBondContact O-N 2.99Å; K467-T471 PolarHBondContact O-N 3.43Å; K467-T471 PolarHBondContact O-OG1 2.84Å |
| 468 | E | 90 | Very high | 89.4 | Confident | 5 Ų | 5 | 35.2 Ų | 35.2 | 2% | 0.023 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.8 | -42.6 | -179.7 | -172.4 | 59.5 | -114.6 | 0 | 0 | 111.8 | P426 K430 L464 N465 V470 T471 G472 E480 L482 | P426-E468 WeakPolarHBondContact CB-OE2 3.4Å; K430-E468 WeakPolarHBondContact CE-OE2 3.48Å; K430-E468 IonicContact NZ-OE1 3.71Å; K430-E468 PolarHBondContact NZ-OE1 3.42Å; K430-E468 IonicContact NZ-OE2 3.29Å; K430-E468 PolarHBondContact NZ-OE2 3.35Å; L464-E468 WeakPolarHBondContact O-CB 3.43Å; L464-E468 PolarHBondContact O-N 2.82Å; N465-E468 PolarHBondContact O-N 3.37Å; N465-E468 VanDerWaalsContact O-N 3.13Å; E468-V470 VanDerWaalsContact C-N 3.31Å; E468-V470 PolarHBondContact O-N 3.27Å; E468-T471 WeakPolarHBondContact CA-OG1 3.35Å; E468-T471 PolarHBondContact O-N 2.95Å; E468-T471 PolarHBondContact O-OG1 3.5Å; E468-T471 VanDerWaalsContact O-OG1 3.1Å; E468-T471 PolarHBondContact OE1-OG1 3.3Å; E468-G472 PolarHBondContact O-N 3.18Å; E468-E480 HydrophobicContact CG-CB 4.45Å; E468-L482 HydrophobicContact CB-CG 4.49Å; E468-L482 HydrophobicContact CG-CG 4.38Å |
| 469 | T | 90.8 | Very high | 89.3 | Confident | 27 Ų | 27 | 40 Ų | 40 | 17% | 0.166 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.6 | -38.2 | 176.2 | -52.4 | 0 | 0 | 0 | 0 | 112.2 | N465 K467 S473 K479 E480 Y481 | N465-T469 PolarHBondContact O-N 3.38Å; N465-T469 PolarHBondContact O-OG1 3.13Å; N465-T469 VanDerWaalsContact O-OG1 3.13Å; K467-T469 VanDerWaalsContact C-N 3.34Å; K467-T469 PolarHBondContact O-N 3.48Å; T469-S473 VanDerWaalsContact O-CB 3.31Å; T469-S473 WeakPolarHBondContact O-CB 3.46Å; T469-S473 PolarHBondContact O-N 2.97Å; T469-S473 PolarHBondContact O-OG 3.07Å; T469-K479 HydrophobicContact CG2-CB 3.98Å; T469-K479 HydrophobicContact CG2-CG 3.94Å; T469-E480 WeakPolarHBondContact CA-O 3.47Å; T469-E480 WeakPolarHBondContact CB-O 3.38Å; T469-E480 PolarHBondContact N-O 2.87Å; T469-E480 PolarHBondContact OG1-O 3.19Å; T469-Y481 HydrophobicContact CG2-CE1 4.43Å; T469-Y481 WeakPolarHBondContact OG1-CD1 3.49Å; T469-Y481 WeakPolarHBondContact OG1-CE1 3.44Å |
| 470 | V | 90.1 | Very high | 89.1 | Confident | 34 Ų | 34 | 39.4 Ų | 39.4 | 21% | 0.206 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.3 | -46.4 | 174.1 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | P194 A238 L241 R466 K467 E468 T474 | P194-V470 HydrophobicContact CG-CG1 4.23Å; A238-V470 HydrophobicContact CB-CG1 3.83Å; A238-V470 HydrophobicContact CB-CG2 4.07Å; L241-V470 HydrophobicContact CD1-CG1 4.21Å; R466-V470 WeakPolarHBondContact O-CG2 3.26Å; R466-V470 PolarHBondContact O-N 3.01Å; K467-V470 PolarHBondContact O-N 2.99Å; E468-V470 VanDerWaalsContact C-N 3.31Å; E468-V470 PolarHBondContact O-N 3.27Å; V470-T474 WeakPolarHBondContact O-CB 3.38Å; V470-T474 PolarHBondContact O-N 2.92Å; V470-T474 PolarHBondContact O-OG1 3.48Å |
| 471 | T | 90.6 | Very high | 88.8 | Confident | 10 Ų | 10 | 45.2 Ų | 45.2 | 6% | 0.061 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.3 | -41.6 | 179.9 | 46.4 | 0 | 0 | 0 | 0 | 112.8 | A190 K467 E468 T474 L475 | A190-T471 HydrophobicContact CB-CG2 4.1Å; K467-T471 PolarHBondContact O-N 3.43Å; K467-T471 PolarHBondContact O-OG1 2.84Å; E468-T471 WeakPolarHBondContact CA-OG1 3.35Å; E468-T471 PolarHBondContact O-N 2.95Å; E468-T471 PolarHBondContact O-OG1 3.5Å; E468-T471 VanDerWaalsContact O-OG1 3.1Å; E468-T471 PolarHBondContact OE1-OG1 3.3Å; T471-T474 PolarHBondContact O-N 2.96Å; T471-L475 VanDerWaalsContact O-CB 3.28Å; T471-L475 WeakPolarHBondContact O-CB 3.46Å; T471-L475 VanDerWaalsContact O-CG 3.3Å; T471-L475 WeakPolarHBondContact O-CG 3.34Å; T471-L475 PolarHBondContact O-N 3.02Å |
| 472 | G | 89.9 | Confident | 88.3 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.3 | -48.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | E468 T474 L475 N476 G477 R478 | E468-G472 PolarHBondContact O-N 3.18Å; G472-T474 VanDerWaalsContact C-N 3.28Å; G472-T474 PolarHBondContact O-N 3Å; G472-L475 PolarHBondContact O-N 3.22Å; G472-N476 CarbonylContact O-C 3.46Å; G472-N476 WeakPolarHBondContact O-CA 3.26Å; G472-N476 WeakPolarHBondContact O-CB 3.36Å; G472-N476 PolarHBondContact O-N 3.19Å; G472-G477 PolarHBondContact O-N 3.1Å; G472-R478 CarbonylContact C-O 3.57Å |
| 473 | S | 91.2 | Very high | 87.7 | Confident | 16 Ų | 16 | 49.1 Ų | 49.1 | 11% | 0.112 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.4 | -33.5 | 179.8 | -52.1 | 0 | 0 | 0 | 0 | 112.4 | T469 R478 | T469-S473 VanDerWaalsContact O-CB 3.31Å; T469-S473 WeakPolarHBondContact O-CB 3.46Å; T469-S473 PolarHBondContact O-N 2.97Å; T469-S473 PolarHBondContact O-OG 3.07Å; S473-R478 PolarHBondContact N-O 2.97Å; S473-R478 VanDerWaalsContact N-O 3.09Å |
| 474 | T | 91.4 | Very high | 87.5 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.006 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -77.6 | -39.7 | 179.4 | -52.2 | 0 | 0 | 0 | 0 | 113 | L197 L244 H245 L248 V470 T471 G472 | L197-T474 HydrophobicContact CD1-CG2 3.63Å; L244-T474 HydrophobicContact CD2-CG2 3.6Å; L244-T474 HydrophobicContact CG-CG2 4Å; H245-T474 WeakPolarHBondContact CA-O 3.34Å; H245-T474 WeakPolarHBondContact CB-O 3.26Å; H245-T474 PolarHBondContact ND1-O 3.32Å; L248-T474 HydrophobicContact CD1-CG2 4Å; V470-T474 WeakPolarHBondContact O-CB 3.38Å; V470-T474 PolarHBondContact O-N 2.92Å; V470-T474 PolarHBondContact O-OG1 3.48Å; T471-T474 PolarHBondContact O-N 2.96Å; G472-T474 VanDerWaalsContact C-N 3.28Å; G472-T474 PolarHBondContact O-N 3Å |
| 475 | L | 91.1 | Very high | 87.3 | Confident | 7 Ų | 7 | 51.8 Ų | 51.8 | 4% | 0.037 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -102.7 | -33.9 | -168.2 | -59.2 | 177.5 | 0 | 0 | 0 | 113.4 | P189 A190 L197 H245 M252 T471 G472 | P189-L475 HydrophobicContact CB-CD1 4.48Å; P189-L475 HydrophobicContact CB-CD2 3.91Å; P189-L475 HydrophobicContact CG-CD1 4.42Å; P189-L475 HydrophobicContact CG-CD2 4.15Å; A190-L475 HydrophobicContact CB-CD1 4.38Å; L197-L475 HydrophobicContact CD1-CD2 4.31Å; L197-L475 HydrophobicContact CD2-CD2 4.22Å; H245-L475 PolarHBondContact CE1-O 2.91Å; H245-L475 VanDerWaalsContact CE1-O 3.26Å; H245-L475 PolarHBondContact ND1-O 3.07Å; M252-L475 HydrophobicContact SD-CD2 4.49Å; T471-L475 VanDerWaalsContact O-CB 3.28Å; T471-L475 WeakPolarHBondContact O-CB 3.46Å; T471-L475 VanDerWaalsContact O-CG 3.3Å; T471-L475 WeakPolarHBondContact O-CG 3.34Å; T471-L475 PolarHBondContact O-N 3.02Å; G472-L475 PolarHBondContact O-N 3.22Å |
| 476 | N | 89.3 | Confident | 86.8 | Confident | 28 Ų | 28 | 55.5 Ų | 55.5 | 15% | 0.15 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -114.3 | 2.3 | -175.3 | -53.8 | 2.3 | 0 | 0 | 0 | 112.1 | R254 G472 R478 E480 | R254-N476 PolarHBondContact NE-OD1 2.76Å; R254-N476 PolarHBondContact NH2-OD1 3.38Å; G472-N476 CarbonylContact O-C 3.46Å; G472-N476 WeakPolarHBondContact O-CA 3.26Å; G472-N476 WeakPolarHBondContact O-CB 3.36Å; G472-N476 PolarHBondContact O-N 3.19Å; N476-R478 HydrophobicContact CB-CG 4.19Å; N476-R478 PolarHBondContact O-N 3.43Å; N476-R478 VanDerWaalsContact O-N 3.11Å; N476-E480 PolarHBondContact ND2-OE1 3.27Å; N476-E480 PolarHBondContact ND2-OE2 3.13Å; N476-E480 VanDerWaalsContact ND2-OE2 3.14Å |
| 477 | G | 87.3 | Confident | 86.3 | Confident | 36 Ų | 36 | 48 Ų | 48 | 37% | 0.371 | 23% | 0.233 | S | C | . | . | S | Bend | trans | 68.8 | 3.9 | -180 | 0 | 0 | 0 | 0 | 0 | 115.8 | H245 G472 | H245-G477 VanDerWaalsContact CD2-CA 3.41Å; H245-G477 WeakPolarHBondContact CD2-CA 3.33Å; H245-G477 PolarHBondContact CE1-N 3.24Å; H245-G477 PolarHBondContact ND1-N 3.45Å; G472-G477 PolarHBondContact O-N 3.1Å |
| 478 | R | 87.2 | Confident | 85.7 | Confident | 116 Ų | 116 | 51.6 Ų | 51.6 | 44% | 0.438 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -138.5 | 147.5 | -171.3 | 68.9 | -167.4 | -172.7 | -151.4 | -1.6 | 112.4 | E259 G472 S473 N476 E480 | E259-R478 IonicContact OE1-CZ 2.69Å; E259-R478 IonicContact OE1-NH1 3.64Å; E259-R478 PolarHBondContact OE1-NH1 3.45Å; E259-R478 IonicContact OE1-NH2 3.21Å; G472-R478 CarbonylContact C-O 3.57Å; S473-R478 PolarHBondContact N-O 2.97Å; S473-R478 VanDerWaalsContact N-O 3.09Å; N476-R478 HydrophobicContact CB-CG 4.19Å; N476-R478 PolarHBondContact O-N 3.43Å; N476-R478 VanDerWaalsContact O-N 3.11Å; R478-E480 HydrophobicContact CG-CG 4.11Å; R478-E480 IonicContact CZ-OE1 2.74Å; R478-E480 VanDerWaalsContact CZ-OE1 3.29Å; R478-E480 IonicContact NE-OE1 3.85Å; R478-E480 PolarHBondContact NE-OE1 3Å; R478-E480 IonicContact NH2-OE1 3.99Å; R478-E480 PolarHBondContact NH2-OE1 3.24Å; R478-E480 PolarHBondContact O-N 3.12Å |
| 479 | K | 83.7 | Confident | 84.9 | Confident | 152 Ų | 152 | 57.9 Ų | 57.9 | 66% | 0.661 | 28% | 0.281 | S | S | * | . | trans | -70 | 111 | 179.3 | -69.9 | 175.1 | -176.3 | 169.8 | 0 | 110.1 | T469 Y481 | T469-K479 HydrophobicContact CG2-CB 3.98Å; T469-K479 HydrophobicContact CG2-CG 3.94Å; K479-Y481 HydrophobicContact CB-CE2 4.45Å | ||
| 480 | E | 83.3 | Confident | 83.8 | Confident | 32 Ų | 32 | 63.4 Ų | 63.4 | 15% | 0.15 | 31% | 0.309 | C | S | . | . | trans | -107.7 | 162.8 | 176 | -65.7 | -171.1 | 178.3 | 0 | 0 | 111.9 | E468 T469 N476 R478 | E468-E480 HydrophobicContact CG-CB 4.45Å; T469-E480 WeakPolarHBondContact CA-O 3.47Å; T469-E480 WeakPolarHBondContact CB-O 3.38Å; T469-E480 PolarHBondContact N-O 2.87Å; T469-E480 PolarHBondContact OG1-O 3.19Å; N476-E480 PolarHBondContact ND2-OE1 3.27Å; N476-E480 PolarHBondContact ND2-OE2 3.13Å; N476-E480 VanDerWaalsContact ND2-OE2 3.14Å; R478-E480 HydrophobicContact CG-CG 4.11Å; R478-E480 IonicContact CZ-OE1 2.74Å; R478-E480 VanDerWaalsContact CZ-OE1 3.29Å; R478-E480 IonicContact NE-OE1 3.85Å; R478-E480 PolarHBondContact NE-OE1 3Å; R478-E480 IonicContact NH2-OE1 3.99Å; R478-E480 PolarHBondContact NH2-OE1 3.24Å; R478-E480 PolarHBondContact O-N 3.12Å | ||
| 481 | Y | 83.8 | Confident | 83.1 | Confident | 122 Ų | 122 | 67.6 Ų | 67.6 | 48% | 0.478 | 33% | 0.325 | S | S | . | . | trans | -144.3 | 158.1 | -178.6 | -59.9 | -84.8 | 0 | 0 | 0 | 108.6 | T469 K479 K483 | T469-Y481 HydrophobicContact CG2-CE1 4.43Å; T469-Y481 WeakPolarHBondContact OG1-CD1 3.49Å; T469-Y481 WeakPolarHBondContact OG1-CE1 3.44Å; K479-Y481 HydrophobicContact CB-CE2 4.45Å; Y481-K483 PolarHBondContact O-N 3.42Å | ||
| 482 | L | 80.4 | Confident | 82.7 | Confident | 5 Ų | 5 | 67.7 Ų | 67.7 | 3% | 0.026 | 32% | 0.324 | C | S | . | . | trans | -75.7 | 72.5 | 164 | -71.6 | 163.5 | 0 | 0 | 0 | 108 | P426 M429 W461 L464 N465 E468 A484 | P426-L482 HydrophobicContact CB-CD1 4.28Å; M429-L482 HydrophobicContact CE-CD1 3.65Å; M429-L482 HydrophobicContact CE-CD2 4.46Å; W461-L482 HydrophobicContact CH2-CB 3.88Å; W461-L482 HydrophobicContact CH2-CD1 4.42Å; W461-L482 HydrophobicContact CZ2-CB 3.92Å; W461-L482 WeakPolarHBondContact CZ2-O 3.44Å; L464-L482 HydrophobicContact CB-CD1 3.9Å; N465-L482 PolarHBondContact OD1-N 3.05Å; E468-L482 HydrophobicContact CB-CG 4.49Å; E468-L482 HydrophobicContact CG-CG 4.38Å; L482-A484 PolarHBondContact O-N 3.04Å | ||
| 483 | K | 76.6 | Confident | 82.1 | Confident | 167 Ų | 167 | 74.5 Ų | 74.5 | 73% | 0.726 | 36% | 0.355 | S | S | * | . | trans | -55.3 | 110 | 171.8 | -67.5 | -172.8 | 177.8 | -173.8 | 0 | 107.9 | R269 Y481 | R269-K483 WeakPolarHBondContact CB-O 3.33Å; R269-K483 WeakPolarHBondContact CD-O 3.37Å; Y481-K483 PolarHBondContact O-N 3.42Å | ||
| 484 | A | 83.1 | Confident | 81.5 | Confident | 8 Ų | 8 | 77.1 Ų | 77.1 | 7% | 0.066 | 37% | 0.365 | C | S | . | . | trans | -150 | 114.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | R269 R271 Y449 W461 L482 | R269-A484 HydrophobicContact CB-CB 3.71Å; R269-A484 CarbonylContact O-C 3.59Å; R269-A484 VanDerWaalsContact O-CA 3.29Å; R269-A484 WeakPolarHBondContact O-CA 3.35Å; R271-A484 HydrophobicContact CG-CB 3.84Å; R271-A484 PolarHBondContact NE-O 2.95Å; Y449-A484 HydrophobicContact CD2-CB 4.27Å; Y449-A484 HydrophobicContact CE2-CB 4.13Å; W461-A484 HydrophobicContact CH2-CB 3.89Å; W461-A484 HydrophobicContact CZ2-CB 3.89Å; L482-A484 PolarHBondContact O-N 3.04Å | ||
| 485 | D | 85.6 | Confident | 81 | Confident | 109 Ų | 109 | 77.1 Ų | 77.1 | 58% | 0.583 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 158.2 | -172.7 | -54.2 | -49.5 | 0 | 0 | 0 | 110.2 | R269 Q270 R271 G487 | R269-D485 PolarHBondContact O-N 3.41Å; Q270-D485 CarbonylContact C-O 3.52Å; Q270-D485 WeakPolarHBondContact CA-O 3.29Å; R271-D485 PolarHBondContact N-O 3.01Å; D485-G487 PolarHBondContact O-N 3.22Å |
| 486 | E | 81.8 | Confident | 80.4 | Confident | 104 Ų | 104 | 78.3 Ų | 78.3 | 49% | 0.486 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 122.5 | 174.7 | -59.8 | -167 | -177.6 | 0 | 0 | 108.9 | R271 | R271-E486 VanDerWaalsContact CZ-CG 3.46Å; R271-E486 IonicContact CZ-OE1 3.15Å; R271-E486 IonicContact NH1-OE1 2.7Å; R271-E486 PolarHBondContact NH1-OE1 3.42Å; R271-E486 IonicContact NH2-OE1 2.85Å; R271-E486 PolarHBondContact NH2-OE1 2.92Å |
| 487 | G | 75.9 | Confident | 79.8 | Confident | 3 Ų | 3 | 84.1 Ų | 84.1 | 3% | 0.031 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 147.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | R271 D485 K489 | R271-G487 PolarHBondContact O-N 3.1Å; D485-G487 PolarHBondContact O-N 3.22Å; G487-K489 PolarHBondContact O-N 2.96Å |
| 488 | D | 77.8 | Confident | 79.3 | Confident | 101 Ų | 101 | 82.8 Ų | 82.8 | 54% | 0.54 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -49.5 | 118.3 | -179.7 | -176.8 | 4.8 | 0 | 0 | 0 | 112.4 | D490 K491 W492 | D488-D490 PolarHBondContact O-N 2.98Å; D488-D490 PolarHBondContact OD1-N 3.25Å; D488-K491 HydrophobicContact CB-CB 4.08Å; D488-K491 PolarHBondContact O-N 3.41Å; D488-W492 PolarHBondContact O-N 3.06Å; D488-W492 PolarHBondContact O-NE1 3.24Å |
| 489 | K | 71.5 | Confident | 78.6 | Confident | 136 Ų | 136 | 81.3 Ų | 81.3 | 59% | 0.591 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -65.5 | -41.9 | -169.9 | -69.2 | 176.3 | -177.3 | 170.1 | 0 | 111.6 | G487 K491 W492 E493 | G487-K489 PolarHBondContact O-N 2.96Å; K489-K491 PolarHBondContact O-N 2.9Å; K489-W492 CarbonylContact O-C 3.59Å; K489-W492 PolarHBondContact O-N 3.43Å; K489-E493 PolarHBondContact O-N 3.17Å |
| 490 | D | 69 | Low | 78.2 | Confident | 143 Ų | 143 | 76.9 Ų | 76.9 | 77% | 0.765 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -68.4 | -30.6 | -173.5 | -55.7 | 2.3 | 0 | 0 | 0 | 109.9 | D488 | D488-D490 PolarHBondContact O-N 2.98Å; D488-D490 PolarHBondContact OD1-N 3.25Å |
| 491 | K | 75.6 | Confident | 78 | Confident | 122 Ų | 122 | 76.5 Ų | 76.5 | 53% | 0.53 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -69.1 | -27.2 | 171.7 | -175.6 | 173.2 | -179.2 | 173.2 | 0 | 114 | D488 K489 F494 | D488-K491 HydrophobicContact CB-CB 4.08Å; D488-K491 PolarHBondContact O-N 3.41Å; K489-K491 PolarHBondContact O-N 2.9Å; K491-F494 WeakPolarHBondContact O-CD1 3.17Å; K491-F494 WeakPolarHBondContact O-CE1 3.34Å |
| 492 | W | 80.7 | Confident | 77.2 | Confident | 12 Ų | 12 | 76 Ų | 76 | 5% | 0.045 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -110 | -3 | -171.8 | -55.1 | 129 | 0 | 0 | 0 | 114.4 | I272 Y334 M337 D488 K489 F494 L495 | I272-W492 HydrophobicContact CD1-CD2 3.97Å; I272-W492 HydrophobicContact CD1-CE3 4.27Å; I272-W492 HydrophobicContact CD1-CH2 3.89Å; I272-W492 HydrophobicContact CD1-CZ2 3.56Å; I272-W492 HydrophobicContact CD1-CZ3 4.24Å; I272-W492 HydrophobicContact CG1-CD2 4.33Å; I272-W492 HydrophobicContact CG1-CZ2 4.27Å; I272-W492 HydrophobicContact CG2-CB 3.96Å; I272-W492 HydrophobicContact CG2-CD2 3.93Å; I272-W492 HydrophobicContact CG2-CE3 4.49Å; I272-W492 HydrophobicContact CG2-CG 3.65Å; Y334-W492 HydrophobicContact CD2-CZ3 4.24Å; Y334-W492 HydrophobicContact CE2-CE3 4.23Å; Y334-W492 HydrophobicContact CE2-CH2 4.04Å; Y334-W492 AromaticContact CE2-CZ3 3.65Å; Y334-W492 HydrophobicContact CE2-CZ3 3.65Å; M337-W492 HydrophobicContact CE-CZ3 3.93Å; M337-W492 HydrophobicContact SD-CZ3 3.81Å; D488-W492 PolarHBondContact O-N 3.06Å; D488-W492 PolarHBondContact O-NE1 3.24Å; K489-W492 CarbonylContact O-C 3.59Å; K489-W492 PolarHBondContact O-N 3.43Å; W492-F494 HydrophobicContact CE3-CE1 4.2Å; W492-F494 PolarHBondContact O-N 2.81Å; W492-L495 HydrophobicContact CB-CD1 4.23Å; W492-L495 WeakPolarHBondContact O-CB 3.38Å; W492-L495 WeakPolarHBondContact O-CG 3.46Å; W492-L495 PolarHBondContact O-N 2.89Å; W492-L495 VanDerWaalsContact O-N 3.09Å |
| 493 | E | 77.2 | Confident | 76.3 | Confident | 144 Ų | 144 | 77.4 Ų | 77.4 | 67% | 0.673 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -57.6 | -32.8 | -176.4 | -172.4 | 171.6 | -128.7 | 0 | 0 | 113.3 | K489 L495 S496 | K489-E493 PolarHBondContact O-N 3.17Å; E493-L495 PolarHBondContact O-N 2.93Å; E493-L495 VanDerWaalsContact O-N 3.08Å; E493-S496 WeakPolarHBondContact O-CB 3.23Å; E493-S496 PolarHBondContact O-N 3.35Å |
| 494 | F | 79.6 | Confident | 75.1 | Confident | 72 Ų | 72 | 71.3 Ų | 71.3 | 32% | 0.316 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -57.4 | -26.6 | 177.9 | 80.4 | -87.3 | 0 | 0 | 0 | 113.6 | M337 K491 W492 S496 L497 | M337-F494 HydrophobicContact CB-CE2 4.22Å; M337-F494 HydrophobicContact CB-CZ 3.84Å; M337-F494 HydrophobicContact CG-CE1 4.33Å; M337-F494 HydrophobicContact CG-CZ 3.81Å; M337-F494 HydrophobicContact SD-CE1 3.75Å; M337-F494 HydrophobicContact SD-CZ 3.57Å; M337-F494 VanDerWaalsContact SD-CZ 3.57Å; K491-F494 WeakPolarHBondContact O-CD1 3.17Å; K491-F494 WeakPolarHBondContact O-CE1 3.34Å; W492-F494 HydrophobicContact CE3-CE1 4.2Å; W492-F494 PolarHBondContact O-N 2.81Å; F494-S496 PolarHBondContact O-N 3.02Å; F494-L497 WeakPolarHBondContact O-CB 3.1Å; F494-L497 PolarHBondContact O-N 3.41Å |
| 495 | L | 79.9 | Confident | 73.3 | Confident | 1 Ų | 1 | 76.6 Ų | 76.6 | 1% | 0.005 | 41% | 0.407 | C | S | . | . | G | 310 helix | trans | -63.9 | -23.7 | 177.2 | -61 | 177.6 | 0 | 0 | 0 | 112.8 | I272 F274 A330 Y334 W492 E493 L497 A498 | I272-L495 HydrophobicContact CG2-CD1 3.68Å; F274-L495 HydrophobicContact CB-CB 3.85Å; F274-L495 HydrophobicContact CB-CD1 4.41Å; F274-L495 HydrophobicContact CD1-CD1 4.41Å; F274-L495 HydrophobicContact CD2-CB 4.31Å; F274-L495 HydrophobicContact CG-CB 4.08Å; F274-L495 HydrophobicContact CG-CD1 4.5Å; A330-L495 HydrophobicContact CB-CB 4.42Å; Y334-L495 HydrophobicContact CD2-CD1 4.17Å; Y334-L495 HydrophobicContact CD2-CD2 4.26Å; W492-L495 HydrophobicContact CB-CD1 4.23Å; W492-L495 WeakPolarHBondContact O-CB 3.38Å; W492-L495 WeakPolarHBondContact O-CG 3.46Å; W492-L495 PolarHBondContact O-N 2.89Å; W492-L495 VanDerWaalsContact O-N 3.09Å; E493-L495 PolarHBondContact O-N 2.93Å; E493-L495 VanDerWaalsContact O-N 3.08Å; L495-L497 VanDerWaalsContact C-N 3.3Å; L495-A498 WeakPolarHBondContact O-CB 3.33Å |
| 496 | S | 78.3 | Confident | 71.1 | Confident | 32 Ų | 32 | 79.2 Ų | 79.2 | 22% | 0.224 | 42% | 0.418 | C | S | . | . | G | 310 helix | trans | -83.2 | -5.9 | 175.2 | -68 | 0 | 0 | 0 | 0 | 113.8 | D275 E493 F494 | D275-S496 WeakPolarHBondContact CA-OG 3.29Å; D275-S496 PolarHBondContact N-OG 3.46Å; D275-S496 WeakPolarHBondContact O-CA 3.29Å; D275-S496 WeakPolarHBondContact O-CB 3.47Å; D275-S496 PolarHBondContact O-OG 3.3Å; E493-S496 WeakPolarHBondContact O-CB 3.23Å; E493-S496 PolarHBondContact O-N 3.35Å; F494-S496 PolarHBondContact O-N 3.02Å |
| 497 | L | 76.8 | Confident | 69 | Low | 150 Ų | 150 | 77.5 Ų | 77.5 | 79% | 0.785 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -99.4 | -2.9 | 172.7 | -55.1 | 178.7 | 0 | 0 | 0 | 112.8 | F494 L495 | F494-L497 WeakPolarHBondContact O-CB 3.1Å; F494-L497 PolarHBondContact O-N 3.41Å; L495-L497 VanDerWaalsContact C-N 3.3Å |
| 498 | A | 76.6 | Confident | 67.2 | Low | 7 Ų | 7 | 81.1 Ų | 81.1 | 6% | 0.058 | 44% | 0.439 | C | S | . | . | P | Polyproline II helix | trans | -56.7 | 147.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | P277 A330 D333 L495 | P277-A498 WeakPolarHBondContact CG-O 3.44Å; A330-A498 HydrophobicContact CB-CB 3.99Å; D333-A498 WeakPolarHBondContact OD2-CB 3.37Å; L495-A498 WeakPolarHBondContact O-CB 3.33Å |
| 499 | S | 74.5 | Confident | 65.1 | Low | 86 Ų | 86 | 81 Ų | 81 | 60% | 0.601 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -75.2 | 149.1 | 176.3 | 59.2 | 0 | 0 | 0 | 0 | 111.5 | G329 W501 | G329-S499 WeakPolarHBondContact CA-O 3.5Å; S499-W501 PolarHBondContact O-N 3.49Å |
| 500 | A | 74 | Confident | 63.6 | Low | 59 Ų | 59 | 82.3 Ų | 82.3 | 49% | 0.488 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 119.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | A280 T502 | A280-A500 HydrophobicContact CB-CB 4.45Å; A500-T502 PolarHBondContact O-N 3.09Å |
| 501 | W | 79.6 | Confident | 62.2 | Low | 23 Ų | 23 | 85.6 Ų | 85.6 | 9% | 0.087 | 47% | 0.468 | C | S | . | . | P | Polyproline II helix | trans | -77 | 122 | -177.8 | 177.8 | 80.6 | 0 | 0 | 0 | 111.7 | A328 T354 A358 E361 S499 P503 | A328-W501 HydrophobicContact CB-CB 3.85Å; A328-W501 HydrophobicContact CB-CD2 3.76Å; A328-W501 HydrophobicContact CB-CE3 3.49Å; A328-W501 VanDerWaalsContact CB-CE3 3.49Å; A328-W501 HydrophobicContact CB-CG 3.93Å; A328-W501 HydrophobicContact CB-CZ3 4.27Å; T354-W501 WeakPolarHBondContact O-CH2 3.44Å; A358-W501 HydrophobicContact CB-CD2 3.94Å; A358-W501 HydrophobicContact CB-CE3 4.44Å; A358-W501 HydrophobicContact CB-CG 4.35Å; A358-W501 HydrophobicContact CB-CH2 4.34Å; A358-W501 HydrophobicContact CB-CZ2 3.85Å; E361-W501 PolarHBondContact OE2-NE1 3.36Å; S499-W501 PolarHBondContact O-N 3.49Å; W501-P503 HydrophobicContact CE3-CG 4.34Å; W501-P503 HydrophobicContact CH2-CB 3.73Å; W501-P503 HydrophobicContact CH2-CG 3.83Å; W501-P503 HydrophobicContact CZ2-CB 4.23Å; W501-P503 HydrophobicContact CZ3-CB 4.11Å; W501-P503 HydrophobicContact CZ3-CG 3.66Å |
| 502 | T | 66.9 | Low | 60.1 | Low | 112 Ų | 112 | 82.8 Ų | 82.8 | 69% | 0.687 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -99 | 135.6 | 168 | 46.9 | 0 | 0 | 0 | 0 | 109.9 | A500 S504 | A500-T502 PolarHBondContact O-N 3.09Å; T502-S504 PolarHBondContact O-N 2.83Å |
| 503 | P | 60.9 | Low | 57.9 | Low | 34 Ų | 34 | 89.2 Ų | 89.2 | 22% | 0.221 | 51% | 0.509 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 130.3 | 174.3 | -15.2 | 26.1 | 0 | 0 | 0 | 110.7 | W501 E505 M506 | W501-P503 HydrophobicContact CE3-CG 4.34Å; W501-P503 HydrophobicContact CH2-CB 3.73Å; W501-P503 HydrophobicContact CH2-CG 3.83Å; W501-P503 HydrophobicContact CZ2-CB 4.23Å; W501-P503 HydrophobicContact CZ3-CB 4.11Å; W501-P503 HydrophobicContact CZ3-CG 3.66Å; P503-E505 PolarHBondContact O-N 3.18Å; P503-M506 PolarHBondContact O-N 2.88Å |
| 504 | S | 51.8 | Low | 55.8 | Low | 40 Ų | 40 | 88.5 Ų | 88.5 | 28% | 0.28 | 51% | 0.514 | S | S | . | . | G | 310 helix | trans | -55 | -22.7 | 173.7 | -57.9 | 0 | 0 | 0 | 0 | 113.3 | E361 T502 | E361-S504 PolarHBondContact OE1-OG 2.95Å; T502-S504 PolarHBondContact O-N 2.83Å |
| 505 | E | 44.5 | Very low | 53.6 | Low | 119 Ų | 119 | 87.8 Ų | 87.8 | 56% | 0.556 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -74.6 | -20.9 | 177.3 | -60.2 | -174.4 | 139.2 | 0 | 0 | 113.8 | P503 A507 L508 | P503-E505 PolarHBondContact O-N 3.18Å; E505-A507 PolarHBondContact O-N 3.19Å; E505-L508 PolarHBondContact O-N 2.8Å |
| 506 | M | 39.6 | Very low | 51.7 | Low | 164 Ų | 164 | 95.9 Ų | 95.9 | 81% | 0.808 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -76.4 | -4.3 | 176.7 | -116.4 | 172.1 | 174.1 | 0 | 0 | 113.2 | P503 L508 | P503-M506 PolarHBondContact O-N 2.88Å; M506-L508 VanDerWaalsContact C-N 3.32Å |
| 507 | A | 38.8 | Very low | 50 | Low | 67 Ų | 67 | 99.2 Ų | 99.2 | 55% | 0.554 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -89.1 | 12.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | E505 P509 | E505-A507 PolarHBondContact O-N 3.19Å; A507-P509 WeakPolarHBondContact O-CD 3.42Å |
| 508 | L | 37.8 | Very low | 48.4 | Very low | 79 Ų | 79 | 96.9 Ų | 96.9 | 41% | 0.414 | 58% | 0.578 | S | S | . | * | S | Bend | trans | -98.9 | 107.7 | 164.6 | -70.2 | 177.4 | 0 | 0 | 0 | 109.3 | E505 M506 F522 | E505-L508 PolarHBondContact O-N 2.8Å; M506-L508 VanDerWaalsContact C-N 3.32Å; L508-F522 HydrophobicContact CD2-CE2 4.41Å; L508-F522 HydrophobicContact CD2-CZ 4.18Å |
| 509 | P | 33.6 | Very low | 47.2 | Very low | 100 Ų | 100 | 102.3 Ų | 102.3 | 65% | 0.649 | 61% | 0.606 | S | S | * | * | trans | -63.7 | 146.2 | 177.4 | -21.6 | 33.7 | 0 | 0 | 0 | 112.1 | A507 | A507-P509 WeakPolarHBondContact O-CD 3.42Š| ||
| 510 | L | 40 | Very low | 46.3 | Very low | 163 Ų | 163 | 104.7 Ų | 104.7 | 85% | 0.853 | 61% | 0.612 | S | S | * | * | trans | -61.2 | 152.9 | 148.9 | -75.6 | 87.4 | 0 | 0 | 0 | 108.3 | G512 | L510-G512 PolarHBondContact O-N 3.41Š| ||
| 511 | E | 39.4 | Very low | 45.8 | Very low | 211 Ų | 211 | 103.5 Ų | 103.5 | 99% | 0.986 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -59.6 | 97.3 | -173.8 | -61 | -177.4 | 143.2 | 0 | 0 | 111.2 | ||
| 512 | G | 32.2 | Very low | 45.5 | Very low | 63 Ų | 63 | 103.9 Ų | 103.9 | 65% | 0.649 | 60% | 0.599 | S | S | * | * | trans | -156.5 | 14.1 | -157.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | L510 | L510-G512 PolarHBondContact O-N 3.41Š| ||
| 513 | N | 33 | Very low | 45.5 | Very low | 148 Ų | 148 | 98.8 Ų | 98.8 | 79% | 0.791 | 57% | 0.568 | S | S | * | * | trans | 74 | 152.4 | 162.6 | -153.7 | 16.5 | 0 | 0 | 0 | 120.3 | ||||
| 514 | T | 34 | Very low | 46 | Very low | 128 Ų | 128 | 98.9 Ų | 98.9 | 79% | 0.785 | 57% | 0.569 | S | S | * | * | trans | 54.3 | 117.7 | 167.1 | 46.7 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 515 | G | 34.3 | Very low | 46.3 | Very low | 57 Ų | 57 | 104.6 Ų | 104.6 | 59% | 0.588 | 59% | 0.585 | S | S | * | * | trans | 140.4 | 61.9 | 148.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | V517 | G515-V517 VanDerWaalsContact C-N 3.33Å; G515-V517 PolarHBondContact O-N 3.25Å | ||
| 516 | N | 39.8 | Very low | 46.5 | Very low | 171 Ų | 171 | 106.3 Ų | 106.3 | 91% | 0.914 | 59% | 0.591 | S | S | * | * | S | Bend | trans | 42.4 | 28.6 | 151.7 | -94 | 42.6 | 0 | 0 | 0 | 122 | ||
| 517 | V | 41.7 | Very low | 47.3 | Very low | 102 Ų | 102 | 101.2 Ų | 101.2 | 62% | 0.618 | 57% | 0.565 | S | S | * | * | trans | -117 | 0.2 | 169.4 | -171.7 | 0 | 0 | 0 | 0 | 112.3 | G515 | G515-V517 VanDerWaalsContact C-N 3.33Å; G515-V517 PolarHBondContact O-N 3.25Å | ||
| 518 | N | 44.3 | Very low | 47.8 | Very low | 101 Ų | 101 | 99.6 Ų | 99.6 | 54% | 0.54 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -75.1 | -31.1 | -169.4 | -74.2 | -26.6 | 0 | 0 | 0 | 115.5 | ||
| 519 | D | 49.4 | Very low | 48.3 | Very low | 122 Ų | 122 | 101 Ų | 101 | 65% | 0.652 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -27.4 | -164.8 | -66.7 | -23 | 0 | 0 | 0 | 113.6 | I521 K1001 | D519-I521 VanDerWaalsContact C-N 3.34Å; D519-I521 PolarHBondContact O-N 2.85Å; D519-K1001 PolarHBondContact O-NZ 3.16Å |
| 520 | D | 57.3 | Low | 49 | Very low | 136 Ų | 136 | 104.7 Ų | 104.7 | 73% | 0.727 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | -30 | -179.3 | -75.7 | -22.2 | 0 | 0 | 0 | 112.8 | K1001 | D520-K1001 WeakPolarHBondContact O-CD 3.47Å; D520-K1001 PolarHBondContact O-NZ 2.9Å; D520-K1001 VanDerWaalsContact O-NZ 3.17Å |
| 521 | I | 63.5 | Low | 49.4 | Very low | 33 Ų | 33 | 100.8 Ų | 100.8 | 17% | 0.169 | 53% | 0.533 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -21.5 | -174.2 | -62.7 | 176.5 | 0 | 0 | 0 | 112.6 | D519 I1021 | D519-I521 VanDerWaalsContact C-N 3.34Å; D519-I521 PolarHBondContact O-N 2.85Å; I521-I1021 HydrophobicContact CG2-CG2 4.39Å |
| 522 | F | 72.6 | Confident | 49.5 | Very low | 31 Ų | 31 | 96.9 Ų | 96.9 | 14% | 0.136 | 52% | 0.515 | C | S | . | . | S | Bend | trans | -118.3 | 158.5 | -175.6 | -69.9 | -64.9 | 0 | 0 | 0 | 112.3 | L508 S524 K1001 N1018 I1021 R1022 | L508-F522 HydrophobicContact CD2-CE2 4.41Å; L508-F522 HydrophobicContact CD2-CZ 4.18Å; F522-S524 PolarHBondContact O-N 2.79Å; F522-K1001 WeakPolarHBondContact O-CE 3.29Å; F522-K1001 PolarHBondContact O-NZ 3.11Å; F522-N1018 HydrophobicContact CD1-CB 3.8Å; F522-N1018 HydrophobicContact CE1-CB 4.4Å; F522-I1021 HydrophobicContact CD1-CB 4.25Å; F522-I1021 HydrophobicContact CD1-CD1 4.26Å; F522-I1021 HydrophobicContact CD1-CG2 3.95Å; F522-I1021 HydrophobicContact CE1-CB 4.06Å; F522-I1021 HydrophobicContact CE1-CG2 3.59Å; F522-I1021 HydrophobicContact CZ-CG2 4.45Å; F522-R1022 HydrophobicContact CE1-CG 3.76Å; F522-R1022 HydrophobicContact CZ-CG 3.89Å |
| 523 | F | 66.9 | Low | 49.8 | Very low | 6 Ų | 6 | 97.6 Ų | 97.6 | 3% | 0.026 | 50% | 0.504 | C | S | . | . | trans | -70.4 | 117 | 168.7 | -71.8 | -100.8 | 0 | 0 | 0 | 109.2 | K1001 L1004 E1005 L1014 L1017 N1018 I1021 | F523-K1001 HydrophobicContact CD2-CG 4.33Å; F523-K1001 HydrophobicContact CE2-CG 4.23Å; F523-L1004 HydrophobicContact CE2-CB 4.06Å; F523-L1004 HydrophobicContact CE2-CD1 4.49Å; F523-L1004 HydrophobicContact CZ-CB 3.93Å; F523-E1005 HydrophobicContact CD1-CG 4.38Å; F523-E1005 HydrophobicContact CE1-CB 4.43Å; F523-E1005 HydrophobicContact CE1-CG 3.45Å; F523-E1005 VanDerWaalsContact CE1-CG 3.45Å; F523-E1005 HydrophobicContact CZ-CB 4.43Å; F523-E1005 HydrophobicContact CZ-CG 3.58Å; F523-L1014 HydrophobicContact CB-CD2 3.61Å; F523-L1017 HydrophobicContact CD1-CD1 4Å; F523-L1017 HydrophobicContact CD2-CB 3.63Å; F523-L1017 HydrophobicContact CD2-CD1 4.15Å; F523-L1017 HydrophobicContact CD2-CG 4.37Å; F523-L1017 HydrophobicContact CE1-CD1 4.03Å; F523-L1017 HydrophobicContact CE2-CB 3.85Å; F523-L1017 HydrophobicContact CE2-CD1 4.2Å; F523-L1017 HydrophobicContact CE2-CD2 4.16Å; F523-L1017 HydrophobicContact CE2-CG 4.29Å; F523-L1017 HydrophobicContact CG-CB 4.2Å; F523-L1017 HydrophobicContact CG-CD1 4.05Å; F523-L1017 HydrophobicContact CZ-CD1 4.13Å; F523-L1017 HydrophobicContact CZ-CD2 4.25Å; F523-N1018 PolarHBondContact N-OD1 3.09Å; F523-N1018 PolarHBondContact O-ND2 2.99Å; F523-N1018 VanDerWaalsContact O-ND2 3.09Å; F523-I1021 HydrophobicContact CD2-CD1 3.69Å; F523-I1021 HydrophobicContact CE2-CD1 3.85Å | ||
| 524 | S | 71.9 | Confident | 50.2 | Low | 35 Ų | 35 | 96.7 Ų | 96.7 | 25% | 0.245 | 50% | 0.498 | C | S | . | . | trans | -79 | 167.3 | 170.2 | 72.4 | 0 | 0 | 0 | 0 | 111.7 | F522 E527 L1014 | F522-S524 PolarHBondContact O-N 2.79Å; S524-E527 WeakPolarHBondContact CB-OE2 3.45Å; S524-E527 PolarHBondContact N-OE2 2.91Å; S524-E527 VanDerWaalsContact OG-CG 3.26Å; S524-E527 WeakPolarHBondContact OG-CG 3.39Å; S524-E527 PolarHBondContact OG-N 2.84Å; S524-E527 PolarHBondContact OG-OE2 3.17Å; S524-L1014 WeakPolarHBondContact O-CD2 3.5Å | ||
| 525 | Y | 58.2 | Low | 50.6 | Low | 160 Ų | 160 | 99.3 Ų | 99.3 | 63% | 0.627 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -65.3 | -39.8 | 173.8 | -167.4 | -85.2 | 0 | 0 | 0 | 111.9 | K528 E529 L1014 | Y525-K528 PolarHBondContact O-N 3.14Å; Y525-E529 HydrophobicContact CE1-CG 4.21Å; Y525-E529 VanDerWaalsContact CE1-OE1 3.26Å; Y525-E529 WeakPolarHBondContact CE1-OE1 3.25Å; Y525-E529 PolarHBondContact O-N 2.9Å; Y525-L1014 HydrophobicContact CD2-CD1 4Å |
| 526 | F | 49 | Very low | 51 | Low | 155 Ų | 155 | 100.7 Ų | 100.7 | 68% | 0.68 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -70.1 | -34.9 | -174.8 | -123.3 | -89.1 | 0 | 0 | 0 | 113.5 | K528 | F526-K528 VanDerWaalsContact C-N 3.35Å |
| 527 | E | 54.7 | Low | 50.9 | Low | 57 Ų | 57 | 100.9 Ų | 100.9 | 27% | 0.266 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.9 | -36.1 | 176.5 | -71 | 158.5 | 138.3 | 0 | 0 | 111.8 | S524 K530 Q531 K1001 | S524-E527 WeakPolarHBondContact CB-OE2 3.45Å; S524-E527 PolarHBondContact N-OE2 2.91Å; S524-E527 VanDerWaalsContact OG-CG 3.26Å; S524-E527 WeakPolarHBondContact OG-CG 3.39Å; S524-E527 PolarHBondContact OG-N 2.84Å; S524-E527 PolarHBondContact OG-OE2 3.17Å; E527-K530 PolarHBondContact O-N 2.87Å; E527-Q531 PolarHBondContact O-N 3.37Å; E527-K1001 VanDerWaalsContact CD-NZ 3.34Å; E527-K1001 WeakPolarHBondContact OE1-CE 3.15Å; E527-K1001 IonicContact OE1-NZ 3.63Å; E527-K1001 PolarHBondContact OE1-NZ 2.88Å; E527-K1001 IonicContact OE2-NZ 2.69Å; E527-K1001 PolarHBondContact OE2-NZ 3.22Å |
| 528 | K | 49.7 | Very low | 50.6 | Low | 34 Ų | 34 | 104.2 Ų | 104.2 | 15% | 0.148 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -69.8 | -32.8 | 179.6 | -176.4 | 169.1 | -177.2 | 99.9 | 0 | 112.7 | Y525 F526 K530 Q531 H532 A1010 Q1011 L1012 L1014 | Y525-K528 PolarHBondContact O-N 3.14Å; F526-K528 VanDerWaalsContact C-N 3.35Å; K528-K530 VanDerWaalsContact C-N 3.32Å; K528-K530 PolarHBondContact O-N 2.73Å; K528-Q531 WeakPolarHBondContact O-CB 3.36Å; K528-Q531 PolarHBondContact O-N 3.35Å; K528-Q531 VanDerWaalsContact O-N 3.14Å; K528-H532 PolarHBondContact O-CD2 2.86Å; K528-A1010 PolarHBondContact NZ-O 3.31Å; K528-Q1011 PolarHBondContact NZ-O 2.98Å; K528-L1012 PolarHBondContact NZ-O 2.99Å; K528-L1014 HydrophobicContact CB-CD2 3.95Å; K528-L1014 HydrophobicContact CD-CD1 4.46Å; K528-L1014 HydrophobicContact CD-CD2 3.9Å; K528-L1014 HydrophobicContact CD-CG 3.87Å |
| 529 | E | 48.4 | Very low | 50.2 | Low | 107 Ų | 107 | 103.3 Ų | 103.3 | 50% | 0.5 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.6 | -35.8 | 174.3 | -67.3 | -169.8 | 149.1 | 0 | 0 | 111.7 | Y525 Q531 H532 | Y525-E529 HydrophobicContact CE1-CG 4.21Å; Y525-E529 VanDerWaalsContact CE1-OE1 3.26Å; Y525-E529 WeakPolarHBondContact CE1-OE1 3.25Å; Y525-E529 PolarHBondContact O-N 2.9Å; E529-Q531 PolarHBondContact O-N 2.98Å; E529-H532 PolarHBondContact O-N 2.96Å |
| 530 | K | 49.1 | Very low | 49.3 | Very low | 179 Ų | 179 | 103.7 Ų | 103.7 | 78% | 0.778 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.5 | -20.2 | 171.8 | -70.6 | -177.9 | 177 | 176.9 | 0 | 114.3 | E527 K528 H532 | E527-K530 PolarHBondContact O-N 2.87Å; K528-K530 VanDerWaalsContact C-N 3.32Å; K528-K530 PolarHBondContact O-N 2.73Å; K530-H532 VanDerWaalsContact C-N 3.31Å |
| 531 | Q | 47.5 | Very low | 47.9 | Very low | 80 Ų | 80 | 102.7 Ų | 102.7 | 37% | 0.374 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -6.1 | 177.5 | -69.1 | 175.4 | -4 | 0 | 0 | 113.3 | E527 K528 E529 | E527-Q531 PolarHBondContact O-N 3.37Å; K528-Q531 WeakPolarHBondContact O-CB 3.36Å; K528-Q531 PolarHBondContact O-N 3.35Å; K528-Q531 VanDerWaalsContact O-N 3.14Å; E529-Q531 PolarHBondContact O-N 2.98Å |
| 532 | H | 42.8 | Very low | 46.4 | Very low | 130 Ų | 130 | 106.1 Ų | 106.1 | 60% | 0.602 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -93.2 | 115.8 | 171 | -74 | -75.6 | 0 | 0 | 0 | 109.9 | K528 E529 K530 I534 | K528-H532 PolarHBondContact O-CD2 2.86Å; E529-H532 PolarHBondContact O-N 2.96Å; K530-H532 VanDerWaalsContact C-N 3.31Å; H532-I534 PolarHBondContact O-N 3.28Å |
| 533 | D | 37.9 | Very low | 44.5 | Very low | 77 Ų | 77 | 109.7 Ų | 109.7 | 41% | 0.412 | 57% | 0.57 | S | S | . | * | trans | -53.1 | 125.3 | -164.8 | -171.1 | -10.8 | 0 | 0 | 0 | 113.9 | R535 S536 | D533-R535 PolarHBondContact O-N 3.04Å; D533-R535 VanDerWaalsContact O-N 3.12Å; D533-R535 WeakPolarHBondContact OD1-CB 3.46Å; D533-R535 WeakPolarHBondContact OD1-CG 3.22Å; D533-R535 PolarHBondContact OD1-N 3.27Å; D533-R535 IonicContact OD1-NH1 3.63Å; D533-R535 IonicContact OD2-CZ 2.87Å; D533-R535 IonicContact OD2-NH1 3.46Å; D533-R535 PolarHBondContact OD2-NH1 2.84Å; D533-S536 VanDerWaalsContact O-CB 3.31Å; D533-S536 WeakPolarHBondContact O-CB 3.39Å; D533-S536 PolarHBondContact O-N 2.74Å; D533-S536 PolarHBondContact O-OG 3.33Å | ||
| 534 | I | 41.5 | Very low | 43.1 | Very low | 129 Ų | 129 | 119.4 Ų | 119.4 | 66% | 0.662 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -57.8 | -22 | 176.5 | -157.2 | 168.2 | 0 | 0 | 0 | 113.3 | H532 S536 F537 | H532-I534 PolarHBondContact O-N 3.28Å; I534-S536 PolarHBondContact O-N 3.29Å; I534-F537 VanDerWaalsContact O-CB 3.22Å; I534-F537 WeakPolarHBondContact O-CB 3.49Å; I534-F537 PolarHBondContact O-N 2.91Å |
| 535 | R | 42.7 | Very low | 41 | Very low | 184 Ų | 184 | 126.5 Ų | 126.5 | 69% | 0.694 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -61.5 | -25.4 | 171.6 | -65.9 | -178.4 | -175 | 97.8 | -2.6 | 113.3 | D533 F537 F538 S539 | D533-R535 PolarHBondContact O-N 3.04Å; D533-R535 VanDerWaalsContact O-N 3.12Å; D533-R535 WeakPolarHBondContact OD1-CB 3.46Å; D533-R535 WeakPolarHBondContact OD1-CG 3.22Å; D533-R535 PolarHBondContact OD1-N 3.27Å; D533-R535 IonicContact OD1-NH1 3.63Å; D533-R535 IonicContact OD2-CZ 2.87Å; D533-R535 IonicContact OD2-NH1 3.46Å; D533-R535 PolarHBondContact OD2-NH1 2.84Å; R535-F537 PolarHBondContact O-N 2.79Å; R535-F538 PolarHBondContact O-N 3.4Å; R535-S539 PolarHBondContact O-OG 3.41Å |
| 536 | S | 42.6 | Very low | 39.7 | Very low | 86 Ų | 86 | 128.3 Ų | 128.3 | 60% | 0.601 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -65.8 | -21.1 | 174.2 | 66.6 | 0 | 0 | 0 | 0 | 113 | D533 I534 | D533-S536 VanDerWaalsContact O-CB 3.31Å; D533-S536 WeakPolarHBondContact O-CB 3.39Å; D533-S536 PolarHBondContact O-N 2.74Å; D533-S536 PolarHBondContact O-OG 3.33Å; I534-S536 PolarHBondContact O-N 3.29Å |
| 537 | F | 36.6 | Very low | 38.9 | Very low | 175 Ų | 175 | 131.1 Ų | 131.1 | 77% | 0.768 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -79.3 | -20.2 | -179.2 | -149.9 | -92.1 | 0 | 0 | 0 | 113.6 | I534 R535 | I534-F537 VanDerWaalsContact O-CB 3.22Å; I534-F537 WeakPolarHBondContact O-CB 3.49Å; I534-F537 PolarHBondContact O-N 2.91Å; R535-F537 PolarHBondContact O-N 2.79Å |
| 538 | F | 36.2 | Very low | 37.5 | Very low | 172 Ų | 172 | 140.5 Ų | 140.5 | 75% | 0.754 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -106.7 | 7.1 | -177.4 | -70.9 | -80.8 | 0 | 0 | 0 | 113.9 | R535 | R535-F538 PolarHBondContact O-N 3.4Š|
| 539 | S | 35.2 | Very low | 36.4 | Very low | 82 Ų | 82 | 148 Ų | 148 | 57% | 0.573 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -86.4 | 125.8 | 175.6 | -63.1 | 0 | 0 | 0 | 0 | 110.7 | R535 S541 | R535-S539 PolarHBondContact O-OG 3.41Å; S539-S541 PolarHBondContact O-N 2.89Å |
| 540 | P | 32.2 | Very low | 35.4 | Very low | 130 Ų | 130 | 152 Ų | 152 | 84% | 0.844 | 75% | 0.746 | S | S | * | * | trans | -60 | 120.7 | -179 | -25.3 | 34.7 | 0 | 0 | 0 | 112.6 | A542 | P540-A542 PolarHBondContact O-N 3.28Å; P540-A542 VanDerWaalsContact O-N 3.16Å | ||
| 541 | S | 27.8 | Very low | 35.2 | Very low | 115 Ų | 115 | 147.7 Ų | 147.7 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | trans | -77.3 | 102 | 179.9 | 51.5 | 0 | 0 | 0 | 0 | 111.1 | S539 S543 | S539-S541 PolarHBondContact O-N 2.89Å; S541-S543 PolarHBondContact O-N 3.07Å | ||
| 542 | A | 30.6 | Very low | 34.2 | Very low | 104 Ų | 104 | 150.7 Ų | 150.7 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | trans | -55.3 | 124.4 | 173 | 0 | 0 | 0 | 0 | 0 | 110.6 | P540 | P540-A542 PolarHBondContact O-N 3.28Å; P540-A542 VanDerWaalsContact O-N 3.16Å | ||
| 543 | S | 32.8 | Very low | 33.4 | Very low | 107 Ų | 107 | 151.8 Ų | 151.8 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | trans | -79.3 | 165 | -169.7 | 54.9 | 0 | 0 | 0 | 0 | 113.2 | S541 E545 | S541-S543 PolarHBondContact O-N 3.07Å; S543-E545 PolarHBondContact O-N 3.35Å | ||
| 544 | K | 37.5 | Very low | 32.9 | Very low | 210 Ų | 210 | 157.3 Ų | 157.3 | 91% | 0.913 | 79% | 0.788 | S | S | * | * | trans | -71.1 | 108.5 | -177.7 | -61.8 | 169.3 | -176.4 | 167.2 | 0 | 111.4 | ||||
| 545 | E | 28.8 | Very low | 32.3 | Very low | 183 Ų | 183 | 159.4 Ų | 159.4 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | trans | -111.1 | 163.2 | 166.8 | -81.2 | -115.8 | 91.8 | 0 | 0 | 112.9 | S543 | S543-E545 PolarHBondContact O-N 3.35Š| ||
| 546 | K | 30.1 | Very low | 31.9 | Very low | 199 Ų | 199 | 156.4 Ų | 156.4 | 87% | 0.865 | 80% | 0.799 | S | S | * | * | trans | -103.6 | 156.7 | -161.1 | -67 | 169.1 | -176.9 | 165.1 | 0 | 113.1 | ||||
| 547 | K | 31.7 | Very low | 31 | Very low | 213 Ų | 213 | 157 Ų | 157 | 93% | 0.926 | 80% | 0.804 | S | S | * | * | trans | -38.3 | 132.1 | 172.9 | -66.8 | 171.1 | 173.4 | 173.6 | 0 | 114.5 | ||||
| 548 | R | 26.5 | Very low | 31.3 | Very low | 254 Ų | 254 | 154.3 Ų | 154.3 | 96% | 0.958 | 80% | 0.804 | S | S | * | * | trans | -139.8 | 177.3 | 134.8 | -135.3 | 166.2 | 177.2 | 152.3 | -2.4 | 110.6 | ||||
| 549 | K | 27.1 | Very low | 31 | Very low | 192 Ų | 192 | 151.2 Ų | 151.2 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | trans | -114.1 | 146.6 | -162.4 | -61 | 172.1 | 170.7 | 176.4 | 0 | 112.2 | ||||
| 550 | K | 26 | Very low | 31.2 | Very low | 192 Ų | 192 | 153.3 Ų | 153.3 | 84% | 0.835 | 82% | 0.815 | S | S | * | * | trans | 60.8 | 160.9 | 140 | -98.2 | -162.9 | 158.1 | -142.5 | 0 | 118.8 | ||||
| 551 | P | 45.1 | Very low | 31.1 | Very low | 87 Ų | 87 | 152.1 Ų | 152.1 | 57% | 0.565 | 81% | 0.81 | S | S | * | * | -123.2 | -171.5 | -53.1 | 20.3 | 4 | 0 | 0 | 0 | 109.5 | |||||
| 552 | D | 25.9 | Very low | 31.6 | Very low | 143 Ų | 143 | 152.6 Ų | 152.6 | 77% | 0.765 | 81% | 0.81 | S | S | * | * | 168.1 | 169.5 | 115.3 | -79.6 | -12.8 | 0 | 0 | 0 | 110.1 | |||||
| 553 | D | 26.8 | Very low | 31.5 | Very low | 153 Ų | 153 | 152.9 Ų | 152.9 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -92.3 | 152.4 | -167.1 | -61 | -73.7 | 0 | 0 | 0 | 113.1 | ||||
| 554 | E | 28.1 | Very low | 32.2 | Very low | 193 Ų | 193 | 152.5 Ų | 152.5 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | 175.6 | 148.1 | 114.4 | -92.8 | -165.4 | 146.9 | 0 | 0 | 112.6 | |||||
| 555 | E | 29.2 | Very low | 31.6 | Very low | 174 Ų | 174 | 150.4 Ų | 150.4 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | trans | -91.8 | 155.7 | 157.5 | -112.8 | -172.1 | -168.6 | 0 | 0 | 107.5 | ||||
| 556 | P | 33.1 | Very low | 31.6 | Very low | 120 Ų | 120 | 148.5 Ų | 148.5 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | -151.4 | 179 | 55 | 41.1 | -20 | 0 | 0 | 0 | 118 | |||||
| 557 | S | 24.6 | Very low | 31.4 | Very low | 100 Ų | 100 | 144.4 Ų | 144.4 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | trans | -71.1 | 176.6 | 159 | 75 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 558 | P | 42.1 | Very low | 31.2 | Very low | 118 Ų | 118 | 141.8 Ų | 141.8 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | cis | -139.8 | -168.6 | 15.2 | 42.6 | -22.2 | 0 | 0 | 0 | 116.5 | ||||
| 559 | S | 30.9 | Very low | 31.2 | Very low | 107 Ų | 107 | 137 Ų | 137 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | -73.7 | 166.5 | 171.1 | 59.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 560 | P | 38.1 | Very low | 31.2 | Very low | 126 Ų | 126 | 134.3 Ų | 134.3 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | -144.9 | 171.7 | 90.6 | 39.8 | -25.1 | 0 | 0 | 0 | 115.5 | |||||
| 561 | S | 30.8 | Very low | 31.3 | Very low | 105 Ų | 105 | 132.2 Ų | 132.2 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | trans | -89.2 | 166.1 | 161.5 | 52.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 562 | P | 37.8 | Very low | 30.5 | Very low | 124 Ų | 124 | 132.7 Ų | 132.7 | 81% | 0.805 | 77% | 0.769 | S | S | * | * | -146.2 | 175 | 105.4 | 39.8 | -25.2 | 0 | 0 | 0 | 115.6 | |||||
| 563 | S | 27.8 | Very low | 30.5 | Very low | 110 Ų | 110 | 131.8 Ų | 131.8 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | trans | -107.7 | -169.2 | 166.7 | -45.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 564 | P | 47.4 | Very low | 30.4 | Very low | 99 Ų | 99 | 135.2 Ų | 135.2 | 64% | 0.643 | 77% | 0.765 | S | S | * | * | cis | -145.6 | -162.1 | 4.8 | 45 | -23.5 | 0 | 0 | 0 | 116.4 | ||||
| 565 | E | 26.5 | Very low | 30.3 | Very low | 167 Ų | 167 | 131.1 Ų | 131.1 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | trans | 71.5 | 152.6 | 154.5 | -68.4 | 174.6 | -164 | 0 | 0 | 118.9 | ||||
| 566 | L | 27.6 | Very low | 30.9 | Very low | 143 Ų | 143 | 128.1 Ų | 128.1 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | cis | -165.1 | -177.1 | -9.8 | -115.3 | 168.1 | 0 | 0 | 0 | 112 | ||||
| 567 | V | 26.4 | Very low | 30.4 | Very low | 113 Ų | 113 | 127.9 Ų | 127.9 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | trans | 91.6 | 114.1 | 155.7 | -169.9 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 568 | E | 26.7 | Very low | 30.4 | Very low | 157 Ų | 157 | 129 Ų | 129 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | 32.9 | 165.7 | 129.9 | -52.1 | -167.1 | 124.9 | 0 | 0 | 123.9 | |||||
| 569 | Q | 27 | Very low | 29.5 | Very low | 153 Ų | 153 | 130.3 Ų | 130.3 | 72% | 0.715 | 77% | 0.767 | S | S | * | * | cis | -173 | -176.3 | -22.4 | -100 | -167.2 | 41.3 | 0 | 0 | 109.1 | ||||
| 570 | V | 26.8 | Very low | 29.3 | Very low | 136 Ų | 136 | 132.2 Ų | 132.2 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | trans | 109.3 | 144.1 | 151.9 | -171.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 571 | D | 27.7 | Very low | 28.6 | Very low | 149 Ų | 149 | 134.2 Ų | 134.2 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | trans | -110.4 | 169.1 | -159.2 | -67.5 | -79.8 | 0 | 0 | 0 | 117.6 | ||||
| 572 | A | 28.9 | Very low | 28.5 | Very low | 97 Ų | 97 | 135.8 Ų | 135.8 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | trans | 71.1 | 165.7 | 155.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 573 | D | 26 | Very low | 27.9 | Very low | 124 Ų | 124 | 138.3 Ų | 138.3 | 66% | 0.663 | 77% | 0.773 | S | S | * | * | cis | -152.9 | 168.3 | 9.5 | -165.9 | 13.3 | 0 | 0 | 0 | 112.7 | ||||
| 574 | R | 25.7 | Very low | 27.8 | Very low | 224 Ų | 224 | 139.7 Ų | 139.7 | 85% | 0.845 | 77% | 0.772 | S | S | * | * | trans | 73.9 | 152.4 | 156.6 | -79.4 | 157.7 | -157.5 | -129.8 | -4 | 124 | ||||
| 575 | S | 25.7 | Very low | 26.5 | Very low | 108 Ų | 108 | 143.8 Ų | 143.8 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | -114 | 177.1 | 170.1 | 59.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 576 | P | 40.9 | Very low | 26.4 | Very low | 111 Ų | 111 | 140.2 Ų | 140.2 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | -158.8 | 158.4 | 105.7 | 41.5 | -23 | 0 | 0 | 0 | 119.4 | |||||
| 577 | S | 24 | Very low | 26.3 | Very low | 115 Ų | 115 | 140.3 Ų | 140.3 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | 46.3 | 150.6 | 141.6 | 64.7 | 0 | 0 | 0 | 0 | 126 | ||||
| 578 | C | 24.3 | Very low | 26.3 | Very low | 123 Ų | 123 | 141.3 Ų | 141.3 | 83% | 0.831 | 77% | 0.771 | S | S | * | * | trans | -95.8 | 166.8 | -177.7 | -39.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 579 | V | 23.4 | Very low | 26.3 | Very low | 145 Ų | 145 | 140 Ų | 140 | 88% | 0.879 | 77% | 0.768 | S | S | * | * | trans | -146.8 | 154.3 | 147.5 | -163.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 580 | N | 26.1 | Very low | 26.2 | Very low | 148 Ų | 148 | 140.2 Ų | 140.2 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | trans | -109.6 | 154.8 | 175.2 | -74.3 | -43.1 | 0 | 0 | 0 | 112.4 | ||||
| 581 | L | 23.8 | Very low | 26.1 | Very low | 167 Ų | 167 | 143.8 Ų | 143.8 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | -168.3 | 166.2 | 125.4 | -130.7 | 68 | 0 | 0 | 0 | 113.2 | |||||
| 582 | D | 27.5 | Very low | 26 | Very low | 139 Ų | 139 | 143.5 Ų | 143.5 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | trans | -89.8 | 162.4 | -168.1 | -46.5 | -99 | 0 | 0 | 0 | 116 | ||||
| 583 | Q | 25.4 | Very low | 25.8 | Very low | 176 Ų | 176 | 149.6 Ų | 149.6 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | 178.8 | 162.5 | 111.5 | -96.9 | 175.9 | -2.1 | 0 | 0 | 116.1 | |||||
| 584 | D | 25 | Very low | 25.7 | Very low | 140 Ų | 140 | 149.6 Ų | 149.6 | 75% | 0.749 | 77% | 0.77 | S | S | * | * | trans | 68.5 | 165.8 | 160 | -67.2 | -10.5 | 0 | 0 | 0 | 123.6 | ||||
| 585 | F | 21.9 | Very low | 25.9 | Very low | 184 Ų | 184 | 144.7 Ų | 144.7 | 81% | 0.807 | 77% | 0.767 | S | S | * | * | -161.2 | 162.4 | -74.8 | -134.6 | -87.8 | 0 | 0 | 0 | 111.5 | |||||
| 586 | S | 24 | Very low | 25.9 | Very low | 92 Ų | 92 | 149.1 Ų | 149.1 | 64% | 0.643 | 77% | 0.773 | S | S | * | * | trans | 68.9 | 122.9 | 163.9 | -79.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 587 | L | 24.9 | Very low | 25.1 | Very low | 145 Ų | 145 | 149 Ų | 149 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | 85.1 | 149.6 | 68.7 | -73.7 | 177.2 | 0 | 0 | 0 | 113.8 | |||||
| 588 | Q | 26.6 | Very low | 25 | Very low | 134 Ų | 134 | 154.8 Ų | 154.8 | 63% | 0.626 | 78% | 0.779 | S | S | * | * | cis | -166.5 | 138.7 | 26.2 | -142.4 | -174.1 | 54.8 | 0 | 0 | 115.3 | ||||
| 589 | L | 26.3 | Very low | 25.2 | Very low | 129 Ų | 129 | 153.8 Ų | 153.8 | 68% | 0.675 | 77% | 0.773 | S | S | * | * | trans | 61.9 | 163 | 152.9 | -70.6 | 161.9 | 0 | 0 | 0 | 119.6 | ||||
| 590 | K | 25.5 | Very low | 25.3 | Very low | 159 Ų | 159 | 152.4 Ų | 152.4 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | cis | -144.3 | 168.4 | 15.9 | -74.3 | 83.4 | -163.1 | 169.2 | 0 | 107.8 | ||||
| 591 | R | 25.5 | Very low | 25.6 | Very low | 210 Ų | 210 | 151.5 Ų | 151.5 | 79% | 0.792 | 77% | 0.773 | S | S | * | * | cis | -170.8 | 128.5 | -14.6 | -107.2 | 178.5 | 168.7 | -175.6 | -2.1 | 109.6 | ||||
| 592 | L | 25.5 | Very low | 25.6 | Very low | 144 Ų | 144 | 147 Ų | 147 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | trans | 60.1 | 156.9 | 141.5 | -57.7 | 174.9 | 0 | 0 | 0 | 121 | ||||
| 593 | R | 23.8 | Very low | 25.5 | Very low | 224 Ų | 224 | 144.7 Ų | 144.7 | 85% | 0.845 | 76% | 0.761 | S | S | * | * | cis | -155.3 | 152.8 | 14.8 | -144.7 | 170 | -160.1 | 170 | 3.5 | 113.1 | ||||
| 594 | T | 24.2 | Very low | 25.5 | Very low | 124 Ų | 124 | 147 Ų | 147 | 76% | 0.761 | 76% | 0.762 | S | S | * | * | trans | -108.9 | 164.5 | 170.9 | 56.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 595 | P | 29.5 | Very low | 25.6 | Very low | 121 Ų | 121 | 150.7 Ų | 150.7 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | -149.2 | 171.9 | 114.3 | 39.3 | -24.5 | 0 | 0 | 0 | 113.8 | |||||
| 596 | K | 25.1 | Very low | 25.8 | Very low | 201 Ų | 201 | 146.7 Ų | 146.7 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | cis | -163.1 | 167.5 | -30.5 | -112.5 | -171.8 | 175.8 | -176.5 | 0 | 107.7 | ||||
| 597 | S | 24.6 | Very low | 25.9 | Very low | 110 Ų | 110 | 146.1 Ų | 146.1 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | -78.6 | 154.8 | -177 | 56.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 598 | R | 23.3 | Very low | 26 | Very low | 236 Ų | 236 | 148.8 Ų | 148.8 | 89% | 0.891 | 79% | 0.787 | S | S | * | * | trans | -163.9 | 120.9 | 143.1 | -105.8 | 175.8 | -174 | -161.6 | -0.5 | 107.2 | ||||
| 599 | S | 26.9 | Very low | 26 | Very low | 101 Ų | 101 | 153.1 Ų | 153.1 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | 109.9 | 127.6 | 57.9 | 62.9 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 600 | S | 26.9 | Very low | 26 | Very low | 117 Ų | 117 | 157.7 Ų | 157.7 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -63 | 165.2 | 177.8 | -43.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 601 | P | 31.7 | Very low | 26 | Very low | 129 Ų | 129 | 158 Ų | 158 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | -127.2 | 168.4 | 120.1 | 37.6 | -33 | 0 | 0 | 0 | 112.3 | |||||
| 602 | G | 23.4 | Very low | 26.3 | Very low | 71 Ų | 71 | 154 Ų | 154 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | trans | -143.2 | -160.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 603 | S | 26.3 | Very low | 26.8 | Very low | 92 Ų | 92 | 153.5 Ų | 153.5 | 64% | 0.643 | 82% | 0.818 | S | S | * | * | trans | 79.8 | 104.2 | 171.1 | -179.7 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 604 | R | 25.8 | Very low | 26.7 | Very low | 224 Ų | 224 | 146.6 Ų | 146.6 | 85% | 0.845 | 82% | 0.817 | S | S | * | * | trans | 65 | 124.7 | 137.4 | -55.2 | 168.6 | -153 | 176.5 | 5.5 | 119.4 | ||||
| 605 | F | 26.2 | Very low | 26.6 | Very low | 217 Ų | 217 | 152 Ų | 152 | 95% | 0.952 | 82% | 0.824 | S | S | * | * | -134.7 | 155.5 | 116.1 | -107.3 | -81.6 | 0 | 0 | 0 | 109.7 | |||||
| 606 | A | 26.8 | Very low | 26.3 | Very low | 101 Ų | 101 | 154.6 Ų | 154.6 | 84% | 0.835 | 82% | 0.823 | S | S | * | * | trans | -136.4 | 139.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 607 | G | 25.5 | Very low | 26.3 | Very low | 79 Ų | 79 | 150.3 Ų | 150.3 | 81% | 0.814 | 82% | 0.818 | S | S | * | * | trans | -146.9 | 112.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 608 | K | 27 | Very low | 26.8 | Very low | 202 Ų | 202 | 150.2 Ų | 150.2 | 88% | 0.878 | 82% | 0.815 | S | S | * | * | trans | -81.4 | 167.4 | 158.3 | -61.7 | 168.1 | -178.4 | 170.5 | 0 | 106.5 | ||||
| 609 | R | 26 | Very low | 26.9 | Very low | 225 Ų | 225 | 147.5 Ų | 147.5 | 85% | 0.849 | 81% | 0.812 | S | S | * | * | cis | -171.9 | 162.2 | 38.5 | -148.6 | 170.7 | -165.7 | 172.8 | 1.7 | 109.9 | ||||
| 610 | R | 26.2 | Very low | 26.9 | Very low | 224 Ų | 224 | 147.6 Ų | 147.6 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | trans | -15.2 | 152.4 | 163.1 | -54.5 | 174.2 | 178.8 | -174.1 | -3.2 | 118.6 | ||||
| 611 | L | 25.9 | Very low | 27 | Very low | 166 Ų | 166 | 148.4 Ų | 148.4 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | -168.7 | 147.8 | 107.1 | -100.4 | 166.2 | 0 | 0 | 0 | 114 | |||||
| 612 | T | 31.6 | Very low | 26.6 | Very low | 125 Ų | 125 | 146.4 Ų | 146.4 | 77% | 0.767 | 81% | 0.81 | S | S | * | * | trans | -119.2 | 146.9 | 161.3 | 50.2 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 613 | P | 35.3 | Very low | 26.8 | Very low | 134 Ų | 134 | 147.9 Ų | 147.9 | 87% | 0.87 | 81% | 0.809 | S | S | * | * | -153.6 | 174.3 | 102.8 | 39.5 | -22 | 0 | 0 | 0 | 115.3 | |||||
| 614 | G | 22.7 | Very low | 26.8 | Very low | 80 Ų | 80 | 152.7 Ų | 152.7 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | trans | 150.4 | 130.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 615 | W | 22.7 | Very low | 26.8 | Very low | 238 Ų | 238 | 148 Ų | 148 | 90% | 0.902 | 82% | 0.815 | S | S | * | * | trans | -154.2 | 143.6 | -168.3 | -162.3 | -9.8 | 0 | 0 | 0 | 112.4 | ||||
| 616 | K | 22.7 | Very low | 26.8 | Very low | 175 Ų | 175 | 149.5 Ų | 149.5 | 76% | 0.761 | 81% | 0.814 | S | S | * | * | trans | 107.7 | 105.3 | 157 | -59 | 175.7 | -178.5 | 180 | 0 | 117.7 | ||||
| 617 | S | 25 | Very low | 26.9 | Very low | 110 Ų | 110 | 155.7 Ų | 155.7 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | 38.8 | 151.3 | 107.5 | -54.5 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 618 | P | 35.8 | Very low | 27.2 | Very low | 109 Ų | 109 | 161.3 Ų | 161.3 | 71% | 0.708 | 82% | 0.818 | S | S | * | * | cis | -147.4 | 159.8 | 35 | 42.3 | -22.1 | 0 | 0 | 0 | 121.3 | ||||
| 619 | Q | 24.9 | Very low | 27.5 | Very low | 178 Ų | 178 | 159.2 Ų | 159.2 | 83% | 0.832 | 82% | 0.815 | S | S | * | * | trans | 56 | 106.9 | 137.5 | -69.5 | 174.2 | -16.1 | 0 | 0 | 123.9 | ||||
| 620 | S | 26.1 | Very low | 28.2 | Very low | 103 Ų | 103 | 153 Ų | 153 | 72% | 0.72 | 80% | 0.804 | S | S | * | * | 43.2 | 142.9 | 120.9 | 67 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 621 | P | 29.1 | Very low | 29.7 | Very low | 135 Ų | 135 | 150.5 Ų | 150.5 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | -125.3 | -176 | 91.2 | 38.6 | -34.7 | 0 | 0 | 0 | 114.4 | |||||
| 622 | A | 23.9 | Very low | 31.6 | Very low | 87 Ų | 87 | 146.6 Ų | 146.6 | 72% | 0.719 | 79% | 0.785 | S | S | * | * | trans | -111.9 | 176.8 | -165.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 623 | S | 27 | Very low | 33.5 | Very low | 102 Ų | 102 | 142 Ų | 142 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | trans | 70.1 | 147.8 | 175.6 | 73.7 | 0 | 0 | 0 | 0 | 115 | ||||
| 624 | F | 26.4 | Very low | 35.4 | Very low | 193 Ų | 193 | 139.2 Ų | 139.2 | 85% | 0.846 | 74% | 0.738 | S | S | * | * | cis | -143.3 | 161.8 | 43.1 | -111.1 | -95 | 0 | 0 | 0 | 115.3 | R626 | F624-R626 PolarHBondContact O-N 3.16Š| ||
| 625 | V | 26.8 | Very low | 37.3 | Very low | 126 Ų | 126 | 135.5 Ų | 135.5 | 76% | 0.764 | 70% | 0.699 | S | S | * | * | trans | -67.5 | 117.9 | 175.3 | 177.7 | 0 | 0 | 0 | 0 | 111.4 | R627 | V625-R627 PolarHBondContact O-N 2.95Š| ||
| 626 | R | 26.3 | Very low | 38.8 | Very low | 248 Ų | 248 | 128 Ų | 128 | 94% | 0.936 | 70% | 0.696 | S | S | * | * | trans | -72.4 | 107.4 | 166.4 | -113.9 | -175.5 | 178.8 | -167.1 | -0.2 | 109.4 | F624 K628 | F624-R626 PolarHBondContact O-N 3.16Å; R626-K628 PolarHBondContact O-N 2.86Å | ||
| 627 | R | 27.7 | Very low | 40.2 | Very low | 231 Ų | 231 | 122.6 Ų | 122.6 | 87% | 0.872 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -57 | 133.3 | 171.1 | -73.1 | 179.2 | 170.1 | 176.2 | -4.5 | 109.9 | V625 L629 | V625-R627 PolarHBondContact O-N 2.95Å; R627-L629 PolarHBondContact O-N 2.82Å |
| 628 | K | 31.9 | Very low | 41.7 | Very low | 197 Ų | 197 | 119.3 Ų | 119.3 | 86% | 0.857 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 134 | 161.9 | -72.8 | -171.8 | 174.1 | -170.8 | 0 | 108.5 | R626 | R626-K628 PolarHBondContact O-N 2.86Š|
| 629 | L | 34.2 | Very low | 42.8 | Very low | 157 Ų | 157 | 119.8 Ų | 119.8 | 82% | 0.822 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -71 | 146.3 | 157 | -75.4 | 110.1 | 0 | 0 | 0 | 108.4 | R627 | R627-L629 PolarHBondContact O-N 2.82Š|
| 630 | P | 39.9 | Very low | 44.1 | Very low | 95 Ų | 95 | 115.4 Ų | 115.4 | 62% | 0.617 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 137.3 | 171.3 | 30 | -34.1 | 0 | 0 | 0 | 109.7 | T632 | P630-T632 PolarHBondContact O-N 2.9Š|
| 631 | E | 58.3 | Low | 46.3 | Very low | 172 Ų | 172 | 113.7 Ų | 113.7 | 80% | 0.804 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -69.3 | -12.4 | -179 | -65.7 | 175.5 | 160.4 | 0 | 0 | 112.9 | G644 | E631-G644 PolarHBondContact O-N 3.45Š|
| 632 | T | 65.3 | Low | 48.3 | Very low | 83 Ų | 83 | 107.3 Ų | 107.3 | 51% | 0.509 | 58% | 0.584 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -141.5 | 151.8 | 178.3 | 56.5 | 0 | 0 | 0 | 0 | 113.2 | P630 N642 | P630-T632 PolarHBondContact O-N 2.9Å; T632-N642 CarbonylContact C-O 3.6Å; T632-N642 WeakPolarHBondContact CA-O 3.16Å; T632-N642 VanDerWaalsContact CB-O 3.23Å; T632-N642 WeakPolarHBondContact CB-O 3.39Å |
| 633 | W | 71.3 | Confident | 50.7 | Low | 28 Ų | 28 | 105.4 Ų | 105.4 | 11% | 0.106 | 57% | 0.565 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -133.2 | 136.4 | 171.7 | 74.4 | -88.3 | 0 | 0 | 0 | 112 | C635 N642 L646 C649 H656 | W633-C635 HydrophobicContact CH2-CB 4.48Å; W633-C635 HydrophobicContact CZ3-CB 4.21Å; W633-N642 HydrophobicContact CD2-CB 4.41Å; W633-N642 HydrophobicContact CG-CB 4.45Å; W633-N642 HydrophobicContact CZ2-CB 4.37Å; W633-N642 PolarHBondContact N-O 3.02Å; W633-N642 PolarHBondContact O-N 3.46Å; W633-N642 PolarHBondContact O-ND2 3.47Å; W633-N642 VanDerWaalsContact O-ND2 3.08Å; W633-L646 PolarHBondContact NE1-O 3.06Å; W633-C649 HydrophobicContact CH2-CB 4.17Å; W633-C649 HydrophobicContact CZ2-CB 4.4Å; W633-H656 AromaticContact CD1-CE1 3.97Å; W633-H656 AromaticContact CD1-ND1 3.99Å; W633-H656 HydrophobicContact CD2-CB 4.19Å; W633-H656 AromaticContact CD2-CD2 3.26Å; W633-H656 AromaticContact CD2-CG 3.69Å; W633-H656 AromaticContact CD2-NE2 3.74Å; W633-H656 AromaticContact CE2-CD2 3.67Å; W633-H656 AromaticContact CE2-CG 3.57Å; W633-H656 AromaticContact CE3-CD2 3.38Å; W633-H656 AromaticContact CG-CD2 3.63Å; W633-H656 AromaticContact CG-CE1 3.9Å; W633-H656 AromaticContact CG-NE2 3.56Å; W633-H656 HydrophobicContact CH2-CB 3.85Å; W633-H656 HydrophobicContact CZ2-CB 3.49Å; W633-H656 VanDerWaalsContact CZ2-CB 3.49Å; W633-H656 AromaticContact CZ2-CG 3.95Å; W633-H656 HydrophobicContact CZ3-CB 4.33Å; W633-H656 AromaticContact CZ3-CD2 3.86Å; W633-H656 AromaticContact NE1-CG 3.78Å; W633-H656 AromaticContact NE1-ND1 3.97Å |
| 634 | S | 74.8 | Confident | 52.1 | Low | 77 Ų | 77 | 102.3 Ų | 102.3 | 54% | 0.538 | 55% | 0.55 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90 | 131.8 | -178.6 | -62 | 0 | 0 | 0 | 0 | 112 | G636 S641 | S634-G636 PolarHBondContact O-N 2.91Å; S634-S641 PolarHBondContact OG-OG 3.01Å |
| 635 | C | 63.4 | Low | 53.9 | Low | 2 Ų | 2 | 100.6 Ų | 100.6 | 1% | 0.014 | 55% | 0.549 | C | S | . | . | trans | -73.7 | 124.8 | -177.1 | -180 | 0 | 0 | 0 | 0 | 112.5 | W633 A637 C638 T639 Y640 C649 C652 | W633-C635 HydrophobicContact CH2-CB 4.48Å; W633-C635 HydrophobicContact CZ3-CB 4.21Å; C635-A637 PolarHBondContact O-N 3.44Å; C635-A637 PolarHBondContact SG-N 3.47Å; C635-A637 VanDerWaalsContact SG-N 3.4Å; C635-C638 PolarHBondContact O-N 3.11Å; C635-T639 WeakPolarHBondContact O-CA 3.39Å; C635-T639 PolarHBondContact O-N 3.21Å; C635-Y640 PolarHBondContact N-O 3.19Å; C635-C649 HydrophobicContact CB-CB 3.81Å; C635-C649 VanDerWaalsContact CB-SG 3.56Å; C635-C652 VanDerWaalsContact SG-SG 3.61Å | ||
| 636 | G | 54.4 | Low | 55 | Low | 80 Ų | 80 | 97 Ų | 97 | 83% | 0.825 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -18.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | S634 | S634-G636 PolarHBondContact O-N 2.91Š|
| 637 | A | 51.4 | Low | 56.5 | Low | 61 Ų | 61 | 89.2 Ų | 89.2 | 50% | 0.504 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -24.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | C635 F654 | C635-A637 PolarHBondContact O-N 3.44Å; C635-A637 PolarHBondContact SG-N 3.47Å; C635-A637 VanDerWaalsContact SG-N 3.4Å; A637-F654 HydrophobicContact CB-CB 4.14Å; A637-F654 HydrophobicContact CB-CD1 4.28Å; A637-F654 HydrophobicContact CB-CD2 3.62Å; A637-F654 HydrophobicContact CB-CE2 4.04Å; A637-F654 HydrophobicContact CB-CG 3.75Å |
| 638 | C | 56.7 | Low | 58.7 | Low | 42 Ų | 42 | 82.8 Ų | 82.8 | 28% | 0.284 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141.1 | 10.3 | -176.9 | 72.5 | 0 | 0 | 0 | 0 | 114.9 | C635 Y640 C649 C652 | C635-C638 PolarHBondContact O-N 3.11Å; C638-Y640 PolarHBondContact O-N 3.3Å; C638-C649 PolarHBondContact SG-SG 3.39Å; C638-C652 HydrophobicContact CB-CB 4.32Å; C638-C652 PolarHBondContact SG-SG 3.46Å |
| 639 | T | 58.1 | Low | 60.3 | Low | 119 Ų | 119 | 73.4 Ų | 73.4 | 73% | 0.73 | 44% | 0.444 | S | S | * | . | trans | 55.4 | -8 | -177.7 | 66.1 | 0 | 0 | 0 | 0 | 117.7 | C635 S641 | C635-T639 WeakPolarHBondContact O-CA 3.39Å; C635-T639 PolarHBondContact O-N 3.21Å; T639-S641 PolarHBondContact O-N 2.85Å | ||
| 640 | Y | 52.1 | Low | 61.3 | Low | 86 Ų | 86 | 69.9 Ų | 69.9 | 34% | 0.337 | 42% | 0.423 | S | S | . | . | trans | -57.8 | 131.5 | 177.4 | -175.2 | -90.4 | 0 | 0 | 0 | 112.5 | C635 C638 N642 E650 M651 | C635-Y640 PolarHBondContact N-O 3.19Å; C638-Y640 PolarHBondContact O-N 3.3Å; Y640-N642 VanDerWaalsContact CD1-OD1 3.25Å; Y640-N642 WeakPolarHBondContact CD1-OD1 3.45Å; Y640-N642 PolarHBondContact O-ND2 2.98Å; Y640-E650 HydrophobicContact CE1-CB 3.97Å; Y640-E650 PolarHBondContact OH-OE2 2.89Å; Y640-M651 HydrophobicContact CD1-CB 4.08Å; Y640-M651 HydrophobicContact CD2-CB 4.1Å; Y640-M651 HydrophobicContact CD2-CE 3.72Å; Y640-M651 HydrophobicContact CD2-CG 4.33Å; Y640-M651 HydrophobicContact CE2-CE 3.44Å; Y640-M651 VanDerWaalsContact CE2-CE 3.44Å; Y640-M651 HydrophobicContact CG-CB 3.8Å; Y640-M651 HydrophobicContact CG-CE 4.5Å; Y640-M651 HydrophobicContact CG-CG 4.43Å | ||
| 641 | S | 73.8 | Confident | 61.7 | Low | 66 Ų | 66 | 70.7 Ų | 70.7 | 46% | 0.462 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 115.4 | 177.9 | -55.6 | 0 | 0 | 0 | 0 | 111.2 | S634 T639 | S634-S641 PolarHBondContact OG-OG 3.01Å; T639-S641 PolarHBondContact O-N 2.85Å |
| 642 | N | 71.7 | Confident | 61.4 | Low | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.005 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 159.2 | -176.7 | -50.3 | -81 | 0 | 0 | 0 | 110.4 | T632 W633 Y640 C649 E650 | T632-N642 CarbonylContact C-O 3.6Å; T632-N642 WeakPolarHBondContact CA-O 3.16Å; T632-N642 VanDerWaalsContact CB-O 3.23Å; T632-N642 WeakPolarHBondContact CB-O 3.39Å; W633-N642 HydrophobicContact CD2-CB 4.41Å; W633-N642 HydrophobicContact CG-CB 4.45Å; W633-N642 HydrophobicContact CZ2-CB 4.37Å; W633-N642 PolarHBondContact N-O 3.02Å; W633-N642 PolarHBondContact O-N 3.46Å; W633-N642 PolarHBondContact O-ND2 3.47Å; W633-N642 VanDerWaalsContact O-ND2 3.08Å; Y640-N642 VanDerWaalsContact CD1-OD1 3.25Å; Y640-N642 WeakPolarHBondContact CD1-OD1 3.45Å; Y640-N642 PolarHBondContact O-ND2 2.98Å; N642-C649 WeakPolarHBondContact OD1-CA 3.5Å; N642-C649 PolarHBondContact OD1-SG 2.71Å; N642-E650 PolarHBondContact OD1-N 2.84Å |
| 643 | S | 73.1 | Confident | 60.8 | Low | 47 Ų | 47 | 68 Ų | 68 | 33% | 0.329 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.4 | 140.6 | 165.4 | 179.8 | 0 | 0 | 0 | 0 | 111.2 | L645 L646 | S643-L645 PolarHBondContact O-N 2.89Å; S643-L645 VanDerWaalsContact O-N 3.08Å; S643-L645 PolarHBondContact OG-N 3.28Å; S643-L646 PolarHBondContact O-N 2.86Å |
| 644 | G | 56.5 | Low | 59.9 | Low | 38 Ų | 38 | 71.5 Ų | 71.5 | 39% | 0.392 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -10.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | E631 L646 | E631-G644 PolarHBondContact O-N 3.45Å; G644-L646 VanDerWaalsContact C-N 3.33Å |
| 645 | L | 63.8 | Low | 59.3 | Low | 157 Ų | 157 | 71.8 Ų | 71.8 | 82% | 0.822 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -7 | 173.6 | -59.5 | 177.3 | 0 | 0 | 0 | 113.7 | S643 | S643-L645 PolarHBondContact O-N 2.89Å; S643-L645 VanDerWaalsContact O-N 3.08Å; S643-L645 PolarHBondContact OG-N 3.28Å |
| 646 | L | 49.9 | Very low | 59.2 | Low | 50 Ų | 50 | 74.9 Ų | 74.9 | 26% | 0.262 | 44% | 0.438 | S | S | . | . | trans | -109.7 | 123 | -172.5 | -63.2 | 174.9 | 0 | 0 | 0 | 112 | W633 S643 G644 F648 E650 | W633-L646 PolarHBondContact NE1-O 3.06Å; S643-L646 PolarHBondContact O-N 2.86Å; G644-L646 VanDerWaalsContact C-N 3.33Å; L646-F648 PolarHBondContact O-N 3.32Å; L646-E650 HydrophobicContact CD1-CG 3.43Å; L646-E650 VanDerWaalsContact CD1-CG 3.43Å | ||
| 647 | P | 59 | Low | 59.3 | Low | 84 Ų | 84 | 76.4 Ų | 76.4 | 55% | 0.545 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -80.2 | 1.7 | -176.3 | 32.9 | -35.3 | 0 | 0 | 0 | 114.1 | H656 | P647-H656 WeakPolarHBondContact O-CB 3.45Å; P647-H656 PolarHBondContact O-N 2.86Å |
| 648 | F | 72.6 | Confident | 58.9 | Low | 96 Ų | 96 | 77.9 Ų | 77.9 | 42% | 0.421 | 44% | 0.443 | S | S | . | . | B | Isolated β-bridge | trans | -148.9 | 164.7 | 175.7 | 56.8 | -99.8 | 0 | 0 | 0 | 109.7 | L646 F654 | L646-F648 PolarHBondContact O-N 3.32Å; F648-F654 CarbonylContact C-O 3.57Å; F648-F654 WeakPolarHBondContact CA-O 3.17Å |
| 649 | C | 66 | Low | 57.9 | Low | 0 Ų | 0 | 79.3 Ų | 79.3 | 0% | 0 | 46% | 0.464 | C | S | . | . | trans | -77.4 | 128.7 | -177.7 | 177.4 | 0 | 0 | 0 | 0 | 112.6 | W633 C635 C638 N642 M651 C652 E653 F654 | W633-C649 HydrophobicContact CH2-CB 4.17Å; W633-C649 HydrophobicContact CZ2-CB 4.4Å; C635-C649 HydrophobicContact CB-CB 3.81Å; C635-C649 VanDerWaalsContact CB-SG 3.56Å; C638-C649 PolarHBondContact SG-SG 3.39Å; N642-C649 WeakPolarHBondContact OD1-CA 3.5Å; N642-C649 PolarHBondContact OD1-SG 2.71Å; C649-M651 PolarHBondContact O-N 3.46Å; C649-M651 VanDerWaalsContact O-N 3.12Å; C649-M651 PolarHBondContact SG-N 2.87Å; C649-C652 PolarHBondContact O-N 2.56Å; C649-E653 VanDerWaalsContact O-CA 3.25Å; C649-E653 WeakPolarHBondContact O-CA 3.43Å; C649-E653 PolarHBondContact O-N 3.49Å; C649-F654 PolarHBondContact N-O 2.96Å | ||
| 650 | E | 56 | Low | 56.4 | Low | 83 Ų | 83 | 82 Ų | 82 | 39% | 0.388 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -24.6 | 179 | -71.6 | -167.7 | 107 | 0 | 0 | 113.6 | R466 Y640 N642 L646 | R466-E650 IonicContact NH2-OE1 3.35Å; R466-E650 PolarHBondContact NH2-OE1 3.33Å; Y640-E650 HydrophobicContact CE1-CB 3.97Å; Y640-E650 PolarHBondContact OH-OE2 2.89Å; N642-E650 PolarHBondContact OD1-N 2.84Å; L646-E650 HydrophobicContact CD1-CG 3.43Å; L646-E650 VanDerWaalsContact CD1-CG 3.43Å |
| 651 | M | 47.5 | Very low | 55.2 | Low | 112 Ų | 112 | 87.5 Ų | 87.5 | 55% | 0.552 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -22.6 | -171.9 | -164.6 | 58.2 | 59.2 | 0 | 0 | 114.1 | Y640 C649 | Y640-M651 HydrophobicContact CD1-CB 4.08Å; Y640-M651 HydrophobicContact CD2-CB 4.1Å; Y640-M651 HydrophobicContact CD2-CE 3.72Å; Y640-M651 HydrophobicContact CD2-CG 4.33Å; Y640-M651 HydrophobicContact CE2-CE 3.44Å; Y640-M651 VanDerWaalsContact CE2-CE 3.44Å; Y640-M651 HydrophobicContact CG-CB 3.8Å; Y640-M651 HydrophobicContact CG-CE 4.5Å; Y640-M651 HydrophobicContact CG-CG 4.43Å; C649-M651 PolarHBondContact O-N 3.46Å; C649-M651 VanDerWaalsContact O-N 3.12Å; C649-M651 PolarHBondContact SG-N 2.87Å |
| 652 | C | 51.4 | Low | 53.5 | Low | 56 Ų | 56 | 90.8 Ų | 90.8 | 38% | 0.378 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -146.9 | 7.5 | -175.5 | 67.6 | 0 | 0 | 0 | 0 | 114.9 | C635 C638 C649 F654 | C635-C652 VanDerWaalsContact SG-SG 3.61Å; C638-C652 HydrophobicContact CB-CB 4.32Å; C638-C652 PolarHBondContact SG-SG 3.46Å; C649-C652 PolarHBondContact O-N 2.56Å; C652-F654 PolarHBondContact O-N 3.33Å |
| 653 | E | 53.3 | Low | 51.3 | Low | 142 Ų | 142 | 94.2 Ų | 94.2 | 66% | 0.664 | 55% | 0.554 | S | S | * | * | trans | 59.6 | 9.9 | 177.8 | -59.2 | 177.4 | 177.3 | 0 | 0 | 115 | C649 | C649-E653 VanDerWaalsContact O-CA 3.25Å; C649-E653 WeakPolarHBondContact O-CA 3.43Å; C649-E653 PolarHBondContact O-N 3.49Å | ||
| 654 | F | 53.3 | Low | 49 | Very low | 103 Ų | 103 | 101.9 Ų | 101.9 | 45% | 0.452 | 58% | 0.582 | S | S | . | * | trans | -67.4 | 129.7 | 178.4 | -163.7 | -86.1 | 0 | 0 | 0 | 111.9 | A637 F648 C649 C652 | A637-F654 HydrophobicContact CB-CB 4.14Å; A637-F654 HydrophobicContact CB-CD1 4.28Å; A637-F654 HydrophobicContact CB-CD2 3.62Å; A637-F654 HydrophobicContact CB-CE2 4.04Å; A637-F654 HydrophobicContact CB-CG 3.75Å; F648-F654 CarbonylContact C-O 3.57Å; F648-F654 WeakPolarHBondContact CA-O 3.17Å; C649-F654 PolarHBondContact N-O 2.96Å; C652-F654 PolarHBondContact O-N 3.33Å | ||
| 655 | P | 60.4 | Low | 47.7 | Very low | 83 Ų | 83 | 104.9 Ų | 104.9 | 54% | 0.539 | 60% | 0.602 | S | S | . | * | B | Isolated β-bridge | trans | -64.2 | 152.5 | -172.9 | -25.3 | 35.2 | 0 | 0 | 0 | 116 | S657 | P655-S657 PolarHBondContact O-N 3.16Å |
| 656 | H | 63 | Low | 45.9 | Very low | 66 Ų | 66 | 106.4 Ų | 106.4 | 31% | 0.306 | 61% | 0.605 | S | S | . | * | trans | -84.8 | 102.1 | 169.8 | -170.2 | -149.3 | 0 | 0 | 0 | 110.4 | W633 P647 S658 | W633-H656 AromaticContact CD1-CE1 3.97Å; W633-H656 AromaticContact CD1-ND1 3.99Å; W633-H656 HydrophobicContact CD2-CB 4.19Å; W633-H656 AromaticContact CD2-CD2 3.26Å; W633-H656 AromaticContact CD2-CG 3.69Å; W633-H656 AromaticContact CD2-NE2 3.74Å; W633-H656 AromaticContact CE2-CD2 3.67Å; W633-H656 AromaticContact CE2-CG 3.57Å; W633-H656 AromaticContact CE3-CD2 3.38Å; W633-H656 AromaticContact CG-CD2 3.63Å; W633-H656 AromaticContact CG-CE1 3.9Å; W633-H656 AromaticContact CG-NE2 3.56Å; W633-H656 HydrophobicContact CH2-CB 3.85Å; W633-H656 HydrophobicContact CZ2-CB 3.49Å; W633-H656 VanDerWaalsContact CZ2-CB 3.49Å; W633-H656 AromaticContact CZ2-CG 3.95Å; W633-H656 HydrophobicContact CZ3-CB 4.33Å; W633-H656 AromaticContact CZ3-CD2 3.86Å; W633-H656 AromaticContact NE1-CG 3.78Å; W633-H656 AromaticContact NE1-ND1 3.97Å; P647-H656 WeakPolarHBondContact O-CB 3.45Å; P647-H656 PolarHBondContact O-N 2.86Å; H656-S658 PolarHBondContact O-N 3.22Å | ||
| 657 | S | 54.9 | Low | 44.6 | Very low | 112 Ų | 112 | 113.3 Ų | 113.3 | 78% | 0.783 | 63% | 0.633 | S | S | * | * | trans | -80.7 | 44 | -171.8 | 48.6 | 0 | 0 | 0 | 0 | 115 | P655 G659 | P655-S657 PolarHBondContact O-N 3.16Å; S657-G659 PolarHBondContact O-N 3.16Å | ||
| 658 | S | 43.2 | Very low | 42.9 | Very low | 93 Ų | 93 | 116.5 Ų | 116.5 | 65% | 0.65 | 65% | 0.645 | S | S | * | * | trans | -83 | 66.7 | -176.3 | 67.5 | 0 | 0 | 0 | 0 | 114.1 | H656 | H656-S658 PolarHBondContact O-N 3.22Š| ||
| 659 | G | 35.8 | Very low | 40.7 | Very low | 71 Ų | 71 | 117.9 Ų | 117.9 | 73% | 0.732 | 66% | 0.661 | S | S | * | * | trans | 150.2 | 60.4 | 163.6 | 0 | 0 | 0 | 0 | 0 | 119.7 | S657 | S657-G659 PolarHBondContact O-N 3.16Š| ||
| 660 | L | 26.3 | Very low | 38.8 | Very low | 177 Ų | 177 | 125.8 Ų | 125.8 | 93% | 0.927 | 70% | 0.698 | S | S | * | * | trans | -127.5 | 129.4 | 158.4 | -86.1 | 166.3 | 0 | 0 | 0 | 109.8 | ||||
| 661 | K | 28.7 | Very low | 37.3 | Very low | 201 Ų | 201 | 130.3 Ų | 130.3 | 87% | 0.874 | 72% | 0.719 | S | S | * | * | trans | -89.8 | 150.4 | 173.1 | -85.3 | -171.4 | 175.6 | -176.8 | 0 | 110.4 | ||||
| 662 | P | 37.6 | Very low | 36.6 | Very low | 135 Ų | 135 | 134.1 Ų | 134.1 | 88% | 0.877 | 73% | 0.732 | S | S | * | * | trans | -73.7 | 140.6 | -170.7 | 29.8 | -35.9 | 0 | 0 | 0 | 112.6 | ||||
| 663 | G | 25.4 | Very low | 35.4 | Very low | 72 Ų | 72 | 143.3 Ų | 143.3 | 74% | 0.742 | 76% | 0.759 | S | S | * | * | trans | -129.1 | 108.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 664 | K | 24.2 | Very low | 34.3 | Very low | 209 Ų | 209 | 144.9 Ų | 144.9 | 91% | 0.909 | 77% | 0.767 | S | S | * | * | trans | 48 | 113.1 | 167.2 | -63.9 | -172.5 | 175.8 | -173.4 | 0 | 118.1 | ||||
| 665 | A | 29.6 | Very low | 32.9 | Very low | 100 Ų | 100 | 146.4 Ų | 146.4 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | trans | -83.9 | 147.2 | 153.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 666 | E | 24.7 | Very low | 31.3 | Very low | 190 Ų | 190 | 150.1 Ų | 150.1 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | trans | -126.5 | 162.3 | 156.5 | -99.6 | 173.2 | 178.4 | 0 | 0 | 109.7 | ||||
| 667 | K | 24.2 | Very low | 29.4 | Very low | 195 Ų | 195 | 155.6 Ų | 155.6 | 85% | 0.848 | 81% | 0.813 | S | S | * | * | trans | -81.3 | 178.1 | -170.6 | -58.3 | 166.4 | -175.9 | 172.4 | 0 | 108.9 | ||||
| 668 | L | 23.7 | Very low | 27.9 | Very low | 150 Ų | 150 | 154.8 Ų | 154.8 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | cis | -152.5 | 170 | 30.2 | -72.4 | 89.5 | 0 | 0 | 0 | 107.7 | ||||
| 669 | T | 24.8 | Very low | 27.1 | Very low | 125 Ų | 125 | 157.7 Ų | 157.7 | 77% | 0.767 | 82% | 0.82 | S | S | * | * | cis | -157.5 | -179.2 | 1.3 | -0.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 670 | H | 27.1 | Very low | 27.3 | Very low | 166 Ų | 166 | 159.5 Ų | 159.5 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | trans | -45.9 | 167.9 | 151.1 | -87.7 | -144.8 | 0 | 0 | 0 | 113.1 | ||||
| 671 | E | 25.2 | Very low | 27.4 | Very low | 178 Ų | 178 | 158.7 Ų | 158.7 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | cis | -163.9 | 174.1 | 44.5 | -157.7 | 152.8 | -125.6 | 0 | 0 | 114.9 | ||||
| 672 | K | 32.8 | Very low | 27.3 | Very low | 192 Ų | 192 | 155.7 Ų | 155.7 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | trans | -75.4 | 150.2 | 171.2 | -63.9 | 178.7 | 177.5 | -179.3 | 0 | 111.8 | ||||
| 673 | R | 24.5 | Very low | 26.8 | Very low | 249 Ų | 249 | 156.3 Ų | 156.3 | 94% | 0.94 | 79% | 0.791 | S | S | * | * | trans | -163.3 | 146.2 | 136.1 | -116.5 | 167 | -175.8 | 173 | 2.2 | 114 | ||||
| 674 | E | 30.3 | Very low | 26.8 | Very low | 175 Ų | 175 | 158.3 Ų | 158.3 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -98.4 | 142.8 | 166.9 | -56.8 | 161 | 109.6 | 0 | 0 | 109.5 | ||||
| 675 | N | 25.1 | Very low | 26.9 | Very low | 135 Ų | 135 | 156.3 Ų | 156.3 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | -178.3 | 141.2 | 126 | -110.3 | -49.6 | 0 | 0 | 0 | 114.9 | |||||
| 676 | K | 26 | Very low | 26.8 | Very low | 162 Ų | 162 | 160.1 Ų | 160.1 | 70% | 0.704 | 79% | 0.785 | S | S | * | * | trans | 36.3 | 149.8 | 133.5 | -74.3 | 173.2 | -168.5 | 176.1 | 0 | 123.9 | ||||
| 677 | Q | 24 | Very low | 26.8 | Very low | 180 Ų | 180 | 157.8 Ų | 157.8 | 84% | 0.841 | 78% | 0.778 | S | S | * | * | trans | 74.2 | 147.6 | 147.1 | -76.1 | 159.4 | -24.6 | 0 | 0 | 117.3 | ||||
| 678 | A | 23.8 | Very low | 27 | Very low | 95 Ų | 95 | 154.4 Ų | 154.4 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | cis | -158 | 174.9 | -12.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 679 | L | 25.6 | Very low | 27 | Very low | 154 Ų | 154 | 156.9 Ų | 156.9 | 81% | 0.806 | 78% | 0.779 | S | S | * | * | trans | -73.6 | 159.2 | 168.9 | -77.6 | 154.8 | 0 | 0 | 0 | 112 | ||||
| 680 | P | 39 | Very low | 27.1 | Very low | 110 Ų | 110 | 158.1 Ų | 158.1 | 71% | 0.714 | 78% | 0.78 | S | S | * | * | -114.7 | 146.5 | 95.9 | -7.3 | 27.4 | 0 | 0 | 0 | 112.9 | |||||
| 681 | H | 28.6 | Very low | 27.1 | Very low | 160 Ų | 160 | 157.2 Ų | 157.2 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | 59.4 | 142.3 | 86.1 | -71.2 | -85.2 | 0 | 0 | 0 | 115.2 | |||||
| 682 | H | 27.9 | Very low | 27.1 | Very low | 138 Ų | 138 | 156.6 Ų | 156.6 | 64% | 0.639 | 78% | 0.775 | S | S | * | * | cis | -145.4 | 140.3 | 15.8 | -142.3 | -106.2 | 0 | 0 | 0 | 111.6 | ||||
| 683 | E | 26.5 | Very low | 26.8 | Very low | 148 Ų | 148 | 154 Ų | 154 | 69% | 0.692 | 77% | 0.77 | S | S | * | * | trans | 58.5 | 130.2 | 145.4 | -73.8 | -168 | 138.9 | 0 | 0 | 124.1 | ||||
| 684 | T | 26.4 | Very low | 26.9 | Very low | 114 Ų | 114 | 146.1 Ų | 146.1 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | 85.7 | 126.5 | 71.2 | -51 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 685 | L | 25.9 | Very low | 26.8 | Very low | 167 Ų | 167 | 147 Ų | 147 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | -133.8 | 160.3 | 52.7 | -85.5 | 161.5 | 0 | 0 | 0 | 116.2 | |||||
| 686 | K | 26.4 | Very low | 27 | Very low | 180 Ų | 180 | 151.8 Ų | 151.8 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | trans | -96.6 | 158.4 | 164.5 | -63.3 | 172.2 | 180 | 172 | 0 | 110.4 | ||||
| 687 | N | 24.6 | Very low | 27.1 | Very low | 140 Ų | 140 | 153.6 Ų | 153.6 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | trans | 163.3 | 122.3 | 136.5 | -80.5 | -13.2 | 0 | 0 | 0 | 106.6 | ||||
| 688 | V | 29.7 | Very low | 27.4 | Very low | 124 Ų | 124 | 149.6 Ų | 149.6 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | cis | 59 | 92.5 | 46.2 | -169.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 689 | F | 23.9 | Very low | 27.7 | Very low | 203 Ų | 203 | 153 Ų | 153 | 89% | 0.89 | 78% | 0.782 | S | S | * | * | trans | -143.7 | 142.9 | 145.1 | -109.3 | -77.8 | 0 | 0 | 0 | 109.6 | ||||
| 690 | N | 26.2 | Very low | 28 | Very low | 150 Ų | 150 | 151.6 Ų | 151.6 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | trans | -152.9 | 107.7 | 179.9 | 179.7 | 18.9 | 0 | 0 | 0 | 108.1 | ||||
| 691 | L | 25.9 | Very low | 27.9 | Very low | 147 Ų | 147 | 151.9 Ų | 151.9 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | -174.2 | 116.4 | 169.6 | -120.7 | 65.8 | 0 | 0 | 0 | 104.5 | ||||
| 692 | K | 25.9 | Very low | 28.2 | Very low | 166 Ų | 166 | 149.9 Ų | 149.9 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | 94 | 136.1 | 76.2 | -86.4 | -163.7 | 170.5 | -163.5 | 0 | 113.5 | |||||
| 693 | D | 26.2 | Very low | 28.6 | Very low | 138 Ų | 138 | 149 Ų | 149 | 74% | 0.738 | 79% | 0.789 | S | S | * | * | trans | 37.4 | 133.3 | 137.1 | -46.4 | -34.4 | 0 | 0 | 0 | 119.9 | ||||
| 694 | A | 27.9 | Very low | 29.3 | Very low | 83 Ų | 83 | 147.4 Ų | 147.4 | 69% | 0.686 | 79% | 0.792 | S | S | * | * | cis | -169.9 | 168.8 | -8.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 695 | H | 27.9 | Very low | 29.8 | Very low | 193 Ų | 193 | 147.5 Ų | 147.5 | 89% | 0.894 | 80% | 0.795 | S | S | * | * | trans | -169.6 | 145.6 | 131 | -117 | -87.8 | 0 | 0 | 0 | 112.4 | ||||
| 696 | R | 29.2 | Very low | 30 | Very low | 235 Ų | 235 | 145.5 Ų | 145.5 | 89% | 0.887 | 79% | 0.791 | S | S | * | * | trans | -83.5 | 143.3 | 168.3 | -72 | 173.9 | 169 | 173.2 | -4.8 | 110.4 | ||||
| 697 | Q | 28.5 | Very low | 30.1 | Very low | 201 Ų | 201 | 145 Ų | 145 | 94% | 0.939 | 80% | 0.796 | S | S | * | * | trans | -152.5 | 149.2 | 132 | -110.4 | 171 | 24.4 | 0 | 0 | 109.5 | ||||
| 698 | A | 28.8 | Very low | 30.2 | Very low | 95 Ų | 95 | 149.7 Ų | 149.7 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | -112.1 | 137.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 699 | I | 31.1 | Very low | 30 | Very low | 166 Ų | 166 | 152.9 Ų | 152.9 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | trans | -132.7 | 116.7 | 168.3 | -59.6 | -179.3 | 0 | 0 | 0 | 107.8 | ||||
| 700 | T | 31.1 | Very low | 30 | Very low | 126 Ų | 126 | 149.1 Ų | 149.1 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 130.5 | 176.9 | 45.7 | 0 | 0 | 0 | 0 | 111.1 | ||
| 701 | P | 36.6 | Very low | 30 | Very low | 116 Ų | 116 | 152.5 Ų | 152.5 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 149.5 | 165.7 | 32 | -33.3 | 0 | 0 | 0 | 111 | ||
| 702 | P | 36.5 | Very low | 29.9 | Very low | 118 Ų | 118 | 150.5 Ų | 150.5 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 156.6 | -177.8 | 32.1 | -36.1 | 0 | 0 | 0 | 113.2 | ||
| 703 | P | 35.6 | Very low | 29.8 | Very low | 118 Ų | 118 | 148.4 Ų | 148.4 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 150.4 | 176.1 | 31.6 | -35.4 | 0 | 0 | 0 | 112.6 | ||
| 704 | P | 40.4 | Very low | 29.7 | Very low | 116 Ų | 116 | 147 Ų | 147 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 153.7 | 173 | 31.8 | -35 | 0 | 0 | 0 | 112.1 | ||
| 705 | P | 36.8 | Very low | 29.5 | Very low | 116 Ų | 116 | 148.9 Ų | 148.9 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 151.5 | -179.8 | 29.9 | -35.6 | 0 | 0 | 0 | 112.7 | L707 | P705-L707 PolarHBondContact O-N 3Š|
| 706 | P | 31.9 | Very low | 29.3 | Very low | 124 Ų | 124 | 145.3 Ų | 145.3 | 81% | 0.805 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 127.5 | -174.5 | 28.8 | -34.9 | 0 | 0 | 0 | 112.8 | ||
| 707 | L | 27.9 | Very low | 29.2 | Very low | 169 Ų | 169 | 139.9 Ų | 139.9 | 89% | 0.885 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 131.5 | 167.9 | -73.4 | 168.5 | 0 | 0 | 0 | 110.1 | P705 H709 | P705-L707 PolarHBondContact O-N 3Å; L707-H709 PolarHBondContact O-N 2.91Å |
| 708 | R | 25.7 | Very low | 29.1 | Very low | 239 Ų | 239 | 136.2 Ų | 136.2 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 122.4 | 178.9 | -71.4 | -179.6 | 172.4 | -179.3 | -3.4 | 111 | C710 | R708-C710 PolarHBondContact O-N 3.08Š|
| 709 | H | 25.9 | Very low | 28.9 | Very low | 191 Ų | 191 | 136.7 Ų | 136.7 | 88% | 0.884 | 82% | 0.817 | S | S | * | * | trans | -69.3 | 107.5 | 161.3 | -80.8 | -70.7 | 0 | 0 | 0 | 110.2 | L707 R711 | L707-H709 PolarHBondContact O-N 2.91Å; H709-R711 PolarHBondContact O-N 2.78Å | ||
| 710 | C | 24.8 | Very low | 28.8 | Very low | 124 Ų | 124 | 132.7 Ų | 132.7 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | trans | -81 | 98.7 | 155.9 | -68.5 | 0 | 0 | 0 | 0 | 108.1 | R708 | R708-C710 PolarHBondContact O-N 3.08Š| ||
| 711 | R | 24.6 | Very low | 28.6 | Very low | 222 Ų | 222 | 134.4 Ų | 134.4 | 84% | 0.838 | 81% | 0.814 | S | S | * | * | trans | -61.5 | 141.9 | 167.2 | -81.5 | 178.7 | 165.6 | 166.3 | -6.2 | 109.2 | H709 V713 | H709-R711 PolarHBondContact O-N 2.78Å; R711-V713 PolarHBondContact O-N 3.07Å | ||
| 712 | A | 24.5 | Very low | 28.3 | Very low | 105 Ų | 105 | 133.5 Ų | 133.5 | 87% | 0.868 | 82% | 0.816 | S | S | * | * | trans | -63.5 | 126 | 159.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 713 | V | 24.5 | Very low | 27.8 | Very low | 121 Ų | 121 | 136.2 Ų | 136.2 | 73% | 0.733 | 82% | 0.824 | S | S | * | * | trans | -93.9 | 114.2 | -179.7 | 176.9 | 0 | 0 | 0 | 0 | 108.8 | R711 C715 | R711-V713 PolarHBondContact O-N 3.07Å; V713-C715 PolarHBondContact O-N 3.21Å | ||
| 714 | S | 22.8 | Very low | 27.5 | Very low | 109 Ų | 109 | 134.5 Ų | 134.5 | 76% | 0.762 | 83% | 0.828 | S | S | * | * | trans | -73.9 | 110.1 | 163.5 | 50.4 | 0 | 0 | 0 | 0 | 109.3 | S716 | S714-S716 PolarHBondContact O-N 2.87Š| ||
| 715 | C | 24.2 | Very low | 26.8 | Very low | 122 Ų | 122 | 133 Ų | 133 | 82% | 0.824 | 83% | 0.833 | S | S | * | * | trans | -86.7 | 102.7 | 169.7 | -75.5 | 0 | 0 | 0 | 0 | 110.2 | V713 | V713-C715 PolarHBondContact O-N 3.21Š| ||
| 716 | S | 23.4 | Very low | 26.4 | Very low | 119 Ų | 119 | 135.2 Ų | 135.2 | 83% | 0.832 | 84% | 0.839 | S | S | * | * | trans | -81.7 | 136.4 | 158.4 | 46.5 | 0 | 0 | 0 | 0 | 109.7 | S714 | S714-S716 PolarHBondContact O-N 2.87Š| ||
| 717 | S | 28 | Very low | 26.5 | Very low | 121 Ų | 121 | 138.4 Ų | 138.4 | 85% | 0.846 | 84% | 0.843 | S | S | * | * | trans | -115.9 | 140.9 | 166.5 | 50.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 718 | S | 25.6 | Very low | 26.6 | Very low | 124 Ų | 124 | 134 Ų | 134 | 87% | 0.867 | 84% | 0.838 | S | S | * | * | trans | -84.3 | 141.1 | -162.3 | 53.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 719 | A | 26 | Very low | 27 | Very low | 104 Ų | 104 | 130.9 Ų | 130.9 | 86% | 0.86 | 84% | 0.839 | S | S | * | * | trans | -149.1 | 155.5 | 136 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 720 | A | 28 | Very low | 27.1 | Very low | 83 Ų | 83 | 129.7 Ų | 129.7 | 69% | 0.686 | 84% | 0.839 | S | S | * | * | trans | -135.9 | 168 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 721 | D | 27.7 | Very low | 27.9 | Very low | 162 Ų | 162 | 133.2 Ų | 133.2 | 87% | 0.866 | 84% | 0.844 | S | S | * | * | trans | 63.2 | 106.2 | 161.1 | -50.4 | -31 | 0 | 0 | 0 | 119.1 | ||||
| 722 | A | 29.2 | Very low | 28.1 | Very low | 97 Ų | 97 | 126 Ų | 126 | 80% | 0.802 | 84% | 0.838 | S | S | * | * | -172.1 | 131.7 | 103.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 723 | N | 27.5 | Very low | 28.6 | Very low | 174 Ų | 174 | 129.9 Ų | 129.9 | 93% | 0.93 | 84% | 0.844 | S | S | * | * | trans | 12.9 | 139.7 | 154.2 | -63.5 | -11.5 | 0 | 0 | 0 | 122.4 | ||||
| 724 | G | 27.3 | Very low | 29 | Very low | 83 Ų | 83 | 128.8 Ų | 128.8 | 86% | 0.856 | 85% | 0.848 | S | S | * | * | trans | 137.1 | 114.4 | 154.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 725 | G | 27.1 | Very low | 29.6 | Very low | 83 Ų | 83 | 127.9 Ų | 127.9 | 86% | 0.856 | 85% | 0.847 | S | S | * | * | trans | -130.5 | 162.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 726 | D | 28.5 | Very low | 30.3 | Very low | 163 Ų | 163 | 127 Ų | 127 | 87% | 0.872 | 85% | 0.848 | S | S | * | * | trans | -150.9 | 161.9 | 158.1 | -156.6 | -2.5 | 0 | 0 | 0 | 108.5 | ||||
| 727 | E | 34 | Very low | 31.3 | Very low | 192 Ų | 192 | 127.9 Ų | 127.9 | 90% | 0.897 | 84% | 0.844 | S | S | * | * | trans | -89 | 144.2 | 179.5 | -64.6 | -171.5 | 139.5 | 0 | 0 | 111.8 | ||||
| 728 | G | 28.5 | Very low | 32.7 | Very low | 75 Ų | 75 | 128.4 Ų | 128.4 | 77% | 0.773 | 83% | 0.833 | S | S | * | * | trans | -173.2 | 101.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 729 | N | 34.4 | Very low | 34.4 | Very low | 174 Ų | 174 | 127.5 Ų | 127.5 | 93% | 0.93 | 82% | 0.818 | S | S | * | * | trans | -73.1 | 131.1 | 164.4 | -79.2 | -24.8 | 0 | 0 | 0 | 109.4 | ||||
| 730 | D | 28 | Very low | 36.4 | Very low | 166 Ų | 166 | 125.7 Ų | 125.7 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | trans | -149.2 | 144.3 | 149.9 | -144 | -12.9 | 0 | 0 | 0 | 110 | ||||
| 731 | E | 43.1 | Very low | 38.6 | Very low | 199 Ų | 199 | 124.3 Ų | 124.3 | 93% | 0.93 | 77% | 0.773 | S | S | * | * | trans | -86.8 | 111.4 | -179 | -68.5 | -173 | 126 | 0 | 0 | 109.8 | ||||
| 732 | G | 27 | Very low | 40.8 | Very low | 70 Ų | 70 | 121.2 Ų | 121.2 | 72% | 0.722 | 76% | 0.762 | S | S | * | * | trans | -142.7 | 132.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | A734 | G732-A734 PolarHBondContact O-N 3.04Å; G732-A734 VanDerWaalsContact O-N 3.14Å | ||
| 733 | D | 35 | Very low | 43.2 | Very low | 187 Ų | 187 | 118.2 Ų | 118.2 | 100% | 1 | 74% | 0.74 | S | S | * | * | trans | -59.2 | 110.1 | 179.3 | -87.7 | -56 | 0 | 0 | 0 | 113 | ||||
| 734 | A | 32.8 | Very low | 46 | Very low | 97 Ų | 97 | 110.1 Ų | 110.1 | 80% | 0.802 | 70% | 0.697 | S | S | * | * | trans | -135.6 | 132.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | G732 | G732-A734 PolarHBondContact O-N 3.04Å; G732-A734 VanDerWaalsContact O-N 3.14Å | ||
| 735 | A | 36.8 | Very low | 49 | Very low | 91 Ų | 91 | 108.1 Ų | 108.1 | 75% | 0.752 | 67% | 0.665 | S | S | * | * | cis | -145.1 | 128.6 | 1.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 736 | A | 38.8 | Very low | 52 | Low | 102 Ų | 102 | 104.4 Ų | 104.4 | 84% | 0.843 | 63% | 0.625 | S | S | * | * | trans | -105.8 | 85.5 | 156.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 737 | D | 44.9 | Very low | 54.9 | Low | 138 Ų | 138 | 96.9 Ų | 96.9 | 74% | 0.738 | 59% | 0.585 | S | S | * | * | trans | -65.4 | 144.3 | -160.5 | -154.5 | -6 | 0 | 0 | 0 | 114 | L739 | D737-L739 VanDerWaalsContact C-N 3.32Å; D737-L739 PolarHBondContact O-N 3.37Å | ||
| 738 | Q | 55.9 | Low | 57.5 | Low | 133 Ų | 133 | 87.7 Ų | 87.7 | 62% | 0.621 | 54% | 0.542 | S | S | * | . | trans | -85.8 | 63.9 | -156.4 | -58.8 | -171.1 | 9.3 | 0 | 0 | 113.3 | V740 R789 | Q738-V740 PolarHBondContact O-N 3.02Å; Q738-V740 VanDerWaalsContact O-N 3.09Å; Q738-R789 VanDerWaalsContact CD-NH2 3.26Å | ||
| 739 | L | 62.5 | Low | 60.3 | Low | 105 Ų | 105 | 84.1 Ų | 84.1 | 55% | 0.55 | 51% | 0.506 | S | S | . | . | trans | -63.7 | 105.5 | -174.8 | -71.1 | 166.7 | 0 | 0 | 0 | 114.2 | D737 Y741 N792 | D737-L739 VanDerWaalsContact C-N 3.32Å; D737-L739 PolarHBondContact O-N 3.37Å; L739-Y741 HydrophobicContact CB-CE1 4.48Å; L739-Y741 HydrophobicContact CB-CE2 4.27Å; L739-N792 PolarHBondContact O-ND2 3.07Å | ||
| 740 | V | 66.8 | Low | 62.6 | Low | 66 Ų | 66 | 80.4 Ų | 80.4 | 40% | 0.4 | 48% | 0.478 | S | S | . | . | trans | -87.7 | 134.9 | 161 | 179.2 | 0 | 0 | 0 | 0 | 108.7 | Q738 P742 E791 | Q738-V740 PolarHBondContact O-N 3.02Å; Q738-V740 VanDerWaalsContact O-N 3.09Å; V740-P742 WeakPolarHBondContact O-CD 3.4Å; V740-E791 HydrophobicContact CG1-CB 4.07Å; V740-E791 HydrophobicContact CG1-CG 4.48Å | ||
| 741 | Y | 74.4 | Confident | 65.1 | Low | 53 Ų | 53 | 74.8 Ų | 74.8 | 21% | 0.208 | 45% | 0.445 | C | S | . | . | trans | -105.2 | 96 | -179.5 | -62 | -77.9 | 0 | 0 | 0 | 111.5 | L739 G743 L744 L765 F786 N792 Q795 | L739-Y741 HydrophobicContact CB-CE1 4.48Å; L739-Y741 HydrophobicContact CB-CE2 4.27Å; Y741-G743 PolarHBondContact O-N 3.48Å; Y741-L744 HydrophobicContact CG-CD2 4.28Å; Y741-L765 HydrophobicContact CD1-CD1 3.8Å; Y741-L765 HydrophobicContact CD1-CD2 4.25Å; Y741-L765 HydrophobicContact CE1-CD1 3.98Å; Y741-L765 HydrophobicContact CE1-CD2 3.95Å; Y741-L765 HydrophobicContact CG-CD1 4.28Å; Y741-F786 AromaticContact CD2-CE2 3.92Å; Y741-F786 HydrophobicContact CD2-CE2 3.92Å; Y741-F786 AromaticContact CD2-CZ 3.65Å; Y741-F786 HydrophobicContact CD2-CZ 3.65Å; Y741-F786 AromaticContact CE2-CE2 3.69Å; Y741-F786 HydrophobicContact CE2-CE2 3.69Å; Y741-F786 AromaticContact CE2-CZ 3.87Å; Y741-F786 HydrophobicContact CE2-CZ 3.87Å; Y741-N792 PolarHBondContact N-OD1 2.93Å; Y741-Q795 PolarHBondContact O-NE2 3.32Å; Y741-Q795 PolarHBondContact O-OE1 3Å | ||
| 742 | P | 74.5 | Confident | 67 | Low | 97 Ų | 97 | 65.9 Ų | 65.9 | 63% | 0.63 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | 111.6 | -177.8 | 30.3 | -35.3 | 0 | 0 | 0 | 112.2 | V740 | V740-P742 WeakPolarHBondContact O-CD 3.4Š|
| 743 | G | 78.6 | Confident | 69.7 | Low | 34 Ų | 34 | 66.9 Ų | 66.9 | 35% | 0.351 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.9 | 57.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y741 K760 Q795 | Y741-G743 PolarHBondContact O-N 3.48Å; G743-K760 WeakPolarHBondContact O-CA 3.33Å; G743-Q795 VanDerWaalsContact N-OE1 3.09Å |
| 744 | L | 87.1 | Confident | 72.2 | Confident | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | trans | -55.9 | 140.4 | 178 | -72.4 | 166 | 0 | 0 | 0 | 112.8 | Y741 F746 L757 L765 F786 Q795 | Y741-L744 HydrophobicContact CG-CD2 4.28Å; L744-F746 HydrophobicContact CB-CE2 4.22Å; L744-F746 HydrophobicContact CB-CZ 4.06Å; L744-L757 HydrophobicContact CD1-CD2 4.23Å; L744-L757 HydrophobicContact CD2-CD2 4.37Å; L744-L765 HydrophobicContact CD2-CD1 3.62Å; L744-F786 HydrophobicContact CD1-CE1 3.98Å; L744-Q795 HydrophobicContact CD1-CB 4.06Å | ||
| 745 | K | 89.5 | Confident | 74.9 | Confident | 41 Ų | 41 | 53.5 Ų | 53.5 | 18% | 0.178 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 149.8 | 166.4 | -79.9 | 172.4 | 176.3 | 164.8 | 0 | 109.6 | Y758 K760 H822 | K745-Y758 PolarHBondContact N-O 2.85Å; K745-Y758 PolarHBondContact O-N 2.96Å; K745-K760 WeakPolarHBondContact CE-O 3.42Å; K745-K760 PolarHBondContact NZ-O 3.11Å; K745-H822 WeakPolarHBondContact CE-NE2 3.27Å; K745-H822 VanDerWaalsContact CG-CD2 3.45Å; K745-H822 WeakPolarHBondContact CG-CD2 3.39Å |
| 746 | F | 90.7 | Very high | 77.5 | Confident | 6 Ų | 6 | 49.3 Ų | 49.3 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 142.3 | -176.7 | -54.8 | -93.4 | 0 | 0 | 0 | 110.4 | L744 I755 Y756 L757 F769 F799 L820 F821 | L744-F746 HydrophobicContact CB-CE2 4.22Å; L744-F746 HydrophobicContact CB-CZ 4.06Å; F746-I755 HydrophobicContact CB-CG2 4.06Å; F746-I755 HydrophobicContact CD1-CG2 3.89Å; F746-I755 HydrophobicContact CG-CG2 4.45Å; F746-Y756 WeakPolarHBondContact CA-O 3.39Å; F746-L757 HydrophobicContact CD1-CD2 3.7Å; F746-L757 HydrophobicContact CE1-CD2 3.47Å; F746-L757 VanDerWaalsContact CE1-CD2 3.47Å; F746-L757 HydrophobicContact CZ-CD2 4.38Å; F746-F769 HydrophobicContact CD1-CE1 4.17Å; F746-F769 HydrophobicContact CD1-CZ 4.23Å; F746-F769 HydrophobicContact CE1-CE1 4.08Å; F746-F769 HydrophobicContact CE1-CZ 4.12Å; F746-F799 HydrophobicContact CB-CD2 3.94Å; F746-F799 HydrophobicContact CB-CE2 3.53Å; F746-F799 HydrophobicContact CB-CZ 4.46Å; F746-F799 HydrophobicContact CD1-CB 4.48Å; F746-F799 AromaticContact CD1-CD2 3.42Å; F746-F799 HydrophobicContact CD1-CD2 3.42Å; F746-F799 VanDerWaalsContact CD1-CD2 3.42Å; F746-F799 AromaticContact CD1-CE2 3.73Å; F746-F799 HydrophobicContact CD1-CE2 3.73Å; F746-F799 AromaticContact CD1-CG 3.91Å; F746-F799 HydrophobicContact CD1-CG 3.91Å; F746-F799 HydrophobicContact CD1-CZ 4.49Å; F746-F799 AromaticContact CD2-CD2 3.54Å; F746-F799 HydrophobicContact CD2-CD2 3.54Å; F746-F799 HydrophobicContact CD2-CE2 4.05Å; F746-F799 HydrophobicContact CD2-CG 4.49Å; F746-F799 HydrophobicContact CE1-CB 3.88Å; F746-F799 AromaticContact CE1-CD2 3.7Å; F746-F799 HydrophobicContact CE1-CD2 3.7Å; F746-F799 HydrophobicContact CE1-CE2 4.43Å; F746-F799 AromaticContact CE1-CG 3.8Å; F746-F799 HydrophobicContact CE1-CG 3.8Å; F746-F799 HydrophobicContact CE2-CB 4.25Å; F746-F799 AromaticContact CE2-CD2 3.82Å; F746-F799 HydrophobicContact CE2-CD2 3.82Å; F746-F799 HydrophobicContact CE2-CG 4.41Å; F746-F799 AromaticContact CG-CD2 3.34Å; F746-F799 HydrophobicContact CG-CD2 3.34Å; F746-F799 AromaticContact CG-CE2 3.5Å; F746-F799 HydrophobicContact CG-CE2 3.5Å; F746-F799 VanDerWaalsContact CG-CE2 3.5Å; F746-F799 HydrophobicContact CG-CG 4.26Å; F746-F799 HydrophobicContact CZ-CB 3.76Å; F746-F799 AromaticContact CZ-CD2 3.9Å; F746-F799 HydrophobicContact CZ-CD2 3.9Å; F746-F799 HydrophobicContact CZ-CG 4.07Å; F746-L820 WeakPolarHBondContact O-CA 3.03Å; F746-F821 HydrophobicContact CB-CE2 4.29Å; F746-F821 PolarHBondContact N-O 3Å; F746-F821 PolarHBondContact O-N 3.38Å |
| 747 | C | 90 | Very high | 79.9 | Confident | 4 Ų | 4 | 44.5 Ų | 44.5 | 3% | 0.027 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 139.9 | 162.2 | -168.1 | 0 | 0 | 0 | 0 | 108.7 | Y756 Y758 G818 L820 | C747-Y756 PolarHBondContact N-O 2.78Å; C747-Y756 VanDerWaalsContact N-O 3.08Å; C747-Y756 PolarHBondContact O-N 2.69Å; C747-Y758 HydrophobicContact CB-CD2 4.33Å; C747-Y758 HydrophobicContact CB-CE2 3.56Å; C747-G818 VanDerWaalsContact SG-C 3.57Å; C747-L820 HydrophobicContact CB-CD2 3.93Å |
| 748 | A | 88.6 | Confident | 82 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 146.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | I755 W803 R815 | A748-I755 HydrophobicContact CB-CD1 3.48Å; A748-I755 VanDerWaalsContact CB-CD1 3.48Å; A748-W803 HydrophobicContact CB-CH2 3.88Å; A748-W803 HydrophobicContact CB-CZ3 4.31Å; A748-R815 HydrophobicContact CB-CB 4.43Å; A748-R815 HydrophobicContact CB-CG 3.6Å |
| 749 | S | 87.3 | Confident | 83.6 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | trans | -54.4 | 145.6 | 172.5 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | E98 Y751 T752 R754 R815 | E98-S749 WeakPolarHBondContact OE1-CB 3.22Å; E98-S749 PolarHBondContact OE1-OG 3.38Å; E98-S749 PolarHBondContact OE2-OG 3.37Å; S749-Y751 PolarHBondContact O-N 2.87Å; S749-Y751 PolarHBondContact OG-N 2.85Å; S749-Y751 VanDerWaalsContact OG-N 3.11Å; S749-T752 WeakPolarHBondContact CB-OG1 3.42Å; S749-T752 PolarHBondContact OG-N 3.04Å; S749-T752 VanDerWaalsContact OG-N 3.12Å; S749-T752 PolarHBondContact OG-OG1 3.32Å; S749-R754 WeakPolarHBondContact CB-O 3.3Å; S749-R754 PolarHBondContact N-O 3.07Å; S749-R815 WeakPolarHBondContact O-CB 3.47Å; S749-R815 WeakPolarHBondContact O-CG 3.15Å | ||
| 750 | R | 81.8 | Confident | 84.7 | Confident | 96 Ų | 96 | 34.9 Ų | 34.9 | 36% | 0.362 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -66.4 | -25.1 | 173.2 | -69.4 | -175.5 | 178.1 | 168.5 | -2.6 | 112.9 | P106 | P106-R750 HydrophobicContact CB-CG 4.42Å; P106-R750 WeakPolarHBondContact O-CD 3.47Å; P106-R750 WeakPolarHBondContact O-CG 3.41Å; P106-R750 PolarHBondContact O-NE 2.65Å |
| 751 | Y | 81.3 | Confident | 85.5 | Confident | 48 Ų | 48 | 38.4 Ų | 38.4 | 19% | 0.188 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -131.3 | -18.4 | -165.6 | -55.6 | -63.3 | 0 | 0 | 0 | 115.1 | Y91 I94 V109 L111 S749 | Y91-Y751 WeakPolarHBondContact CD1-O 3.33Å; I94-Y751 HydrophobicContact CD1-CD2 3.93Å; I94-Y751 HydrophobicContact CD1-CG 3.98Å; I94-Y751 HydrophobicContact CG2-CD2 4.42Å; V109-Y751 HydrophobicContact CG1-CD2 4.49Å; V109-Y751 HydrophobicContact CG1-CE2 4.43Å; L111-Y751 HydrophobicContact CB-CD1 3.98Å; L111-Y751 HydrophobicContact CB-CD2 4.31Å; L111-Y751 HydrophobicContact CB-CE1 3.56Å; L111-Y751 HydrophobicContact CB-CE2 3.92Å; L111-Y751 HydrophobicContact CB-CG 4.33Å; L111-Y751 HydrophobicContact CD2-CD1 3.88Å; L111-Y751 HydrophobicContact CD2-CE1 4.15Å; L111-Y751 HydrophobicContact CD2-CG 4.4Å; L111-Y751 HydrophobicContact CG-CE1 4.42Å; L111-Y751 PolarHBondContact N-OH 3.32Å; L111-Y751 VanDerWaalsContact N-OH 3.1Å; S749-Y751 PolarHBondContact O-N 2.87Å; S749-Y751 PolarHBondContact OG-N 2.85Å; S749-Y751 VanDerWaalsContact OG-N 3.11Å |
| 752 | T | 83.1 | Confident | 85.9 | Confident | 12 Ų | 12 | 36.9 Ų | 36.9 | 7% | 0.074 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -118.5 | -177.7 | -177.3 | 74.5 | 0 | 0 | 0 | 0 | 111.6 | I94 E95 E98 S749 R754 R815 | I94-T752 HydrophobicContact CB-CG2 4.29Å; I94-T752 HydrophobicContact CG2-CG2 3.82Å; E95-T752 HydrophobicContact CB-CG2 4.08Å; E98-T752 WeakPolarHBondContact OE2-CB 3.48Å; E98-T752 WeakPolarHBondContact OE2-CG2 3.45Å; E98-T752 PolarHBondContact OE2-OG1 2.73Å; S749-T752 WeakPolarHBondContact CB-OG1 3.42Å; S749-T752 PolarHBondContact OG-N 3.04Å; S749-T752 VanDerWaalsContact OG-N 3.12Å; S749-T752 PolarHBondContact OG-OG1 3.32Å; T752-R754 VanDerWaalsContact C-N 3.29Å; T752-R754 VanDerWaalsContact OG1-CB 3.27Å; T752-R754 WeakPolarHBondContact OG1-CB 3.42Å; T752-R754 PolarHBondContact OG1-N 3.32Å; T752-R815 VanDerWaalsContact O-CZ 3.25Å; T752-R815 PolarHBondContact O-NE 3.1Å; T752-R815 PolarHBondContact O-NH1 3Å |
| 753 | D | 83 | Confident | 86.4 | Confident | 90 Ų | 90 | 34.7 Ų | 34.7 | 48% | 0.481 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -83.7 | -1.8 | 172.2 | -67.9 | -34.5 | 0 | 0 | 0 | 113.6 | I770 P771 R815 | D753-I770 HydrophobicContact CB-CG2 4.2Å; D753-P771 WeakPolarHBondContact O-CD 3.35Å; D753-R815 IonicContact OD1-CZ 2.77Å; D753-R815 IonicContact OD1-NH1 2.65Å; D753-R815 PolarHBondContact OD1-NH1 3.02Å; D753-R815 IonicContact OD1-NH2 2.78Å; D753-R815 PolarHBondContact OD1-NH2 3.28Å |
| 754 | R | 87.6 | Confident | 86.8 | Confident | 3 Ų | 3 | 36.1 Ų | 36.1 | 1% | 0.011 | 19% | 0.191 | C | C | . | . | trans | -72.2 | 139.4 | -174.3 | -172.8 | 171.4 | -72.7 | -78 | -8.3 | 112.8 | S749 T752 Y756 S768 F769 D781 | S749-R754 WeakPolarHBondContact CB-O 3.3Å; S749-R754 PolarHBondContact N-O 3.07Å; T752-R754 VanDerWaalsContact C-N 3.29Å; T752-R754 VanDerWaalsContact OG1-CB 3.27Å; T752-R754 WeakPolarHBondContact OG1-CB 3.42Å; T752-R754 PolarHBondContact OG1-N 3.32Å; R754-Y756 HydrophobicContact CG-CE2 4.42Å; R754-S768 WeakPolarHBondContact CD-OG 3.09Å; R754-S768 PolarHBondContact NH1-OG 3.11Å; R754-F769 WeakPolarHBondContact CA-O 3.45Å; R754-D781 IonicContact CZ-OD2 3.32Å; R754-D781 IonicContact NH1-OD2 3.81Å; R754-D781 PolarHBondContact NH1-OD2 3.28Å; R754-D781 IonicContact NH2-OD2 2.68Å; R754-D781 PolarHBondContact NH2-OD2 3.37Å | ||
| 755 | I | 90.5 | Very high | 86.7 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 130.2 | 178.7 | -52.8 | -60.2 | 0 | 0 | 0 | 109.1 | F746 A748 S768 F769 P771 F799 W803 | F746-I755 HydrophobicContact CB-CG2 4.06Å; F746-I755 HydrophobicContact CD1-CG2 3.89Å; F746-I755 HydrophobicContact CG-CG2 4.45Å; A748-I755 HydrophobicContact CB-CD1 3.48Å; A748-I755 VanDerWaalsContact CB-CD1 3.48Å; I755-S768 CarbonylContact O-C 3.59Å; I755-S768 WeakPolarHBondContact O-CA 3.37Å; I755-S768 WeakPolarHBondContact O-CB 3.01Å; I755-F769 HydrophobicContact CB-CD1 4.38Å; I755-F769 HydrophobicContact CB-CE1 3.94Å; I755-F769 HydrophobicContact CB-CE2 4.14Å; I755-F769 HydrophobicContact CB-CZ 3.81Å; I755-F769 HydrophobicContact CG1-CE2 4.3Å; I755-F769 HydrophobicContact CG1-CZ 4.33Å; I755-F769 HydrophobicContact CG2-CE1 3.85Å; I755-F769 HydrophobicContact CG2-CZ 3.77Å; I755-F769 PolarHBondContact N-O 3.3Å; I755-F769 PolarHBondContact O-N 2.91Å; I755-P771 HydrophobicContact CD1-CG 4.42Å; I755-P771 HydrophobicContact CG1-CG 3.66Å; I755-F799 HydrophobicContact CB-CE1 4.38Å; I755-F799 HydrophobicContact CB-CZ 4.33Å; I755-F799 HydrophobicContact CD1-CE1 4.18Å; I755-F799 HydrophobicContact CD1-CZ 3.84Å; I755-F799 HydrophobicContact CG1-CE1 3.74Å; I755-F799 HydrophobicContact CG1-CZ 3.82Å; I755-F799 HydrophobicContact CG2-CE1 4.01Å; I755-F799 HydrophobicContact CG2-CE2 4.08Å; I755-F799 HydrophobicContact CG2-CZ 3.62Å; I755-W803 HydrophobicContact CD1-CE3 4.47Å; I755-W803 HydrophobicContact CD1-CH2 4.15Å; I755-W803 HydrophobicContact CD1-CZ2 4.18Å; I755-W803 HydrophobicContact CD1-CZ3 4.29Å |
| 756 | Y | 90 | Very high | 86.5 | Confident | 3 Ų | 3 | 39.2 Ų | 39.2 | 1% | 0.012 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 141.6 | -179.9 | -71 | -96.9 | 0 | 0 | 0 | 111.6 | E98 L104 P106 F746 C747 R754 | E98-Y756 WeakPolarHBondContact CB-OH 3.44Å; E98-Y756 WeakPolarHBondContact CG-OH 3.14Å; L104-Y756 WeakPolarHBondContact O-CE1 3.48Å; L104-Y756 PolarHBondContact O-OH 2.82Å; P106-Y756 HydrophobicContact CG-CD2 3.58Å; P106-Y756 HydrophobicContact CG-CE2 3.69Å; P106-Y756 HydrophobicContact CG-CG 4.19Å; F746-Y756 WeakPolarHBondContact CA-O 3.39Å; C747-Y756 PolarHBondContact N-O 2.78Å; C747-Y756 VanDerWaalsContact N-O 3.08Å; C747-Y756 PolarHBondContact O-N 2.69Å; R754-Y756 HydrophobicContact CG-CE2 4.42Å |
| 757 | L | 89.6 | Confident | 86.2 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 136.7 | -178.8 | -68.3 | 171.7 | 0 | 0 | 0 | 112.2 | L744 F746 L765 L767 F769 L782 F786 | L744-L757 HydrophobicContact CD1-CD2 4.23Å; L744-L757 HydrophobicContact CD2-CD2 4.37Å; F746-L757 HydrophobicContact CD1-CD2 3.7Å; F746-L757 HydrophobicContact CE1-CD2 3.47Å; F746-L757 VanDerWaalsContact CE1-CD2 3.47Å; F746-L757 HydrophobicContact CZ-CD2 4.38Å; L757-L765 HydrophobicContact CB-CB 4.48Å; L757-L765 HydrophobicContact CB-CD1 4.26Å; L757-L765 WeakPolarHBondContact O-CB 3.24Å; L757-L765 PolarHBondContact O-N 2.91Å; L757-L767 HydrophobicContact CB-CB 4.24Å; L757-L767 HydrophobicContact CD1-CB 3.91Å; L757-L767 PolarHBondContact N-O 3.41Å; L757-F769 HydrophobicContact CD1-CD1 4.33Å; L757-F769 HydrophobicContact CD2-CD1 4.45Å; L757-F769 HydrophobicContact CD2-CE1 3.87Å; L757-F769 HydrophobicContact CG-CD1 4.27Å; L757-F769 HydrophobicContact CG-CE1 4.14Å; L757-L782 HydrophobicContact CD1-CD2 3.65Å; L757-F786 HydrophobicContact CD1-CE1 3.78Å; L757-F786 HydrophobicContact CD1-CZ 3.87Å |
| 758 | Y | 89.2 | Confident | 86.2 | Confident | 19 Ų | 19 | 40.7 Ų | 40.7 | 8% | 0.075 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 151.5 | 179.7 | -62.9 | -101.8 | 0 | 0 | 0 | 110.2 | Q105 K745 C747 A763 P764 L820 | Q105-Y758 PolarHBondContact OE1-OH 2.61Å; K745-Y758 PolarHBondContact N-O 2.85Å; K745-Y758 PolarHBondContact O-N 2.96Å; C747-Y758 HydrophobicContact CB-CD2 4.33Å; C747-Y758 HydrophobicContact CB-CE2 3.56Å; Y758-A763 CarbonylContact C-O 3.52Å; Y758-A763 VanDerWaalsContact CA-O 3.22Å; Y758-A763 WeakPolarHBondContact CA-O 3.46Å; Y758-P764 VanDerWaalsContact CD1-CA 3.46Å; Y758-P764 HydrophobicContact CD1-CB 3.98Å; Y758-P764 HydrophobicContact CE1-CB 3.7Å; Y758-L820 HydrophobicContact CD1-CD1 4.48Å; Y758-L820 HydrophobicContact CD1-CD2 3.73Å; Y758-L820 HydrophobicContact CD2-CD2 3.29Å; Y758-L820 HydrophobicContact CE1-CD2 4.01Å; Y758-L820 HydrophobicContact CE2-CD2 3.58Å; Y758-L820 HydrophobicContact CG-CD2 3.4Å; Y758-L820 VanDerWaalsContact CG-CD2 3.4Å |
| 759 | S | 89 | Confident | 86.2 | Confident | 21 Ų | 21 | 40.8 Ų | 40.8 | 15% | 0.147 | 22% | 0.218 | C | C | . | . | trans | -63.4 | 166.4 | 172.5 | 79.8 | 0 | 0 | 0 | 0 | 111.5 | D761 G762 A763 | S759-D761 PolarHBondContact O-N 3.29Å; S759-D761 VanDerWaalsContact O-N 3.13Å; S759-D761 PolarHBondContact OG-N 2.65Å; S759-D761 PolarHBondContact OG-OD2 2.87Å; S759-G762 WeakPolarHBondContact O-CA 3.43Å; S759-G762 PolarHBondContact O-N 2.57Å; S759-G762 PolarHBondContact OG-N 3.19Å; S759-A763 PolarHBondContact N-O 3.22Å; S759-A763 PolarHBondContact OG-N 3.12Å | ||
| 760 | K | 86.3 | Confident | 86.2 | Confident | 133 Ų | 133 | 41.8 Ų | 41.8 | 58% | 0.578 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.6 | -35.6 | 169.9 | -175 | -177.5 | 174.2 | -170.6 | 0 | 112.7 | G743 K745 G762 | G743-K760 WeakPolarHBondContact O-CA 3.33Å; K745-K760 WeakPolarHBondContact CE-O 3.42Å; K745-K760 PolarHBondContact NZ-O 3.11Å; K760-G762 VanDerWaalsContact C-N 3.34Å |
| 761 | D | 83.4 | Confident | 86.4 | Confident | 140 Ų | 140 | 37.6 Ų | 37.6 | 75% | 0.749 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -15 | -177.9 | -39.6 | -72.3 | 0 | 0 | 0 | 112.1 | S759 | S759-D761 PolarHBondContact O-N 3.29Å; S759-D761 VanDerWaalsContact O-N 3.13Å; S759-D761 PolarHBondContact OG-N 2.65Å; S759-D761 PolarHBondContact OG-OD2 2.87Å |
| 762 | G | 82.3 | Confident | 86.4 | Confident | 21 Ų | 21 | 40 Ų | 40 | 22% | 0.216 | 22% | 0.223 | C | C | . | . | trans | 99 | 11.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | S759 K760 | S759-G762 WeakPolarHBondContact O-CA 3.43Å; S759-G762 PolarHBondContact O-N 2.57Å; S759-G762 PolarHBondContact OG-N 3.19Å; K760-G762 VanDerWaalsContact C-N 3.34Å | ||
| 763 | A | 85.6 | Confident | 86.4 | Confident | 52 Ų | 52 | 41.4 Ų | 41.4 | 43% | 0.43 | 23% | 0.231 | S | C | . | . | trans | -72.4 | 136.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y758 S759 L765 | Y758-A763 CarbonylContact C-O 3.52Å; Y758-A763 VanDerWaalsContact CA-O 3.22Å; Y758-A763 WeakPolarHBondContact CA-O 3.46Å; S759-A763 PolarHBondContact N-O 3.22Å; S759-A763 PolarHBondContact OG-N 3.12Å; A763-L765 PolarHBondContact O-N 3.42Å | ||
| 764 | P | 86.6 | Confident | 86.5 | Confident | 64 Ų | 64 | 37.4 Ų | 37.4 | 42% | 0.416 | 21% | 0.209 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 129.7 | 177.2 | 27.3 | -33.1 | 0 | 0 | 0 | 110.7 | Y758 N766 | Y758-P764 VanDerWaalsContact CD1-CA 3.46Å; Y758-P764 HydrophobicContact CD1-CB 3.98Å; Y758-P764 HydrophobicContact CE1-CB 3.7Å; P764-N766 VanDerWaalsContact C-N 3.29Å |
| 765 | L | 85.2 | Confident | 86.2 | Confident | 42 Ų | 42 | 43.1 Ų | 43.1 | 22% | 0.22 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | -4.5 | 175.5 | -60.3 | 178.9 | 0 | 0 | 0 | 112.6 | Y741 L744 L757 A763 L767 | Y741-L765 HydrophobicContact CD1-CD1 3.8Å; Y741-L765 HydrophobicContact CD1-CD2 4.25Å; Y741-L765 HydrophobicContact CE1-CD1 3.98Å; Y741-L765 HydrophobicContact CE1-CD2 3.95Å; Y741-L765 HydrophobicContact CG-CD1 4.28Å; L744-L765 HydrophobicContact CD2-CD1 3.62Å; L757-L765 HydrophobicContact CB-CB 4.48Å; L757-L765 HydrophobicContact CB-CD1 4.26Å; L757-L765 WeakPolarHBondContact O-CB 3.24Å; L757-L765 PolarHBondContact O-N 2.91Å; A763-L765 PolarHBondContact O-N 3.42Å; L765-L767 HydrophobicContact CB-CG 4.42Å; L765-L767 PolarHBondContact O-N 2.99Å; L765-L767 VanDerWaalsContact O-N 3.16Å |
| 766 | N | 85.4 | Confident | 85.7 | Confident | 68 Ų | 68 | 48.8 Ų | 48.8 | 36% | 0.364 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 53.2 | 28.6 | -171.6 | -58.7 | -30.7 | 0 | 0 | 0 | 113.1 | P102 P764 | P102-N766 HydrophobicContact CB-CB 4.35Å; P102-N766 VanDerWaalsContact CB-O 3.24Å; P102-N766 WeakPolarHBondContact CB-O 3.25Å; P764-N766 VanDerWaalsContact C-N 3.29Å |
| 767 | L | 85.6 | Confident | 85.2 | Confident | 32 Ų | 32 | 54 Ų | 54 | 17% | 0.168 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 145.8 | 173.5 | -61.8 | -177.5 | 0 | 0 | 0 | 109.7 | L757 L765 L782 P783 F786 | L757-L767 HydrophobicContact CB-CB 4.24Å; L757-L767 HydrophobicContact CD1-CB 3.91Å; L757-L767 PolarHBondContact N-O 3.41Å; L765-L767 HydrophobicContact CB-CG 4.42Å; L765-L767 PolarHBondContact O-N 2.99Å; L765-L767 VanDerWaalsContact O-N 3.16Å; L767-L782 HydrophobicContact CB-CD2 4.24Å; L767-P783 HydrophobicContact CD1-CG 3.97Å; L767-P783 HydrophobicContact CD2-CG 3.84Å; L767-F786 HydrophobicContact CD1-CD2 4.41Å; L767-F786 HydrophobicContact CD1-CE2 3.54Å; L767-F786 HydrophobicContact CD1-CZ 4.04Å |
| 768 | S | 88.8 | Confident | 84.8 | Confident | 9 Ų | 9 | 56.6 Ų | 56.6 | 6% | 0.063 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 160.3 | 178.1 | 66.2 | 0 | 0 | 0 | 0 | 112 | R754 I755 D781 L782 | R754-S768 WeakPolarHBondContact CD-OG 3.09Å; R754-S768 PolarHBondContact NH1-OG 3.11Å; I755-S768 CarbonylContact O-C 3.59Å; I755-S768 WeakPolarHBondContact O-CA 3.37Å; I755-S768 WeakPolarHBondContact O-CB 3.01Å; S768-D781 CarbonylContact O-C 3.59Å; S768-D781 VanDerWaalsContact O-O 3.1Å; S768-L782 WeakPolarHBondContact O-CD2 3.44Å |
| 769 | F | 89.3 | Confident | 84.5 | Confident | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.009 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 163 | 178.4 | 64.2 | -84.2 | 0 | 0 | 0 | 111.4 | F746 R754 I755 L757 P771 I774 L782 V796 F799 V800 | F746-F769 HydrophobicContact CD1-CE1 4.17Å; F746-F769 HydrophobicContact CD1-CZ 4.23Å; F746-F769 HydrophobicContact CE1-CE1 4.08Å; F746-F769 HydrophobicContact CE1-CZ 4.12Å; R754-F769 WeakPolarHBondContact CA-O 3.45Å; I755-F769 HydrophobicContact CB-CD1 4.38Å; I755-F769 HydrophobicContact CB-CE1 3.94Å; I755-F769 HydrophobicContact CB-CE2 4.14Å; I755-F769 HydrophobicContact CB-CZ 3.81Å; I755-F769 HydrophobicContact CG1-CE2 4.3Å; I755-F769 HydrophobicContact CG1-CZ 4.33Å; I755-F769 HydrophobicContact CG2-CE1 3.85Å; I755-F769 HydrophobicContact CG2-CZ 3.77Å; I755-F769 PolarHBondContact N-O 3.3Å; I755-F769 PolarHBondContact O-N 2.91Å; L757-F769 HydrophobicContact CD1-CD1 4.33Å; L757-F769 HydrophobicContact CD2-CD1 4.45Å; L757-F769 HydrophobicContact CD2-CE1 3.87Å; L757-F769 HydrophobicContact CG-CD1 4.27Å; L757-F769 HydrophobicContact CG-CE1 4.14Å; F769-P771 HydrophobicContact CE2-CG 4.19Å; F769-I774 HydrophobicContact CB-CD1 4.24Å; F769-I774 HydrophobicContact CB-CG1 4.25Å; F769-I774 HydrophobicContact CD2-CD1 4.44Å; F769-I774 HydrophobicContact CD2-CG1 3.67Å; F769-I774 HydrophobicContact CE2-CG1 4.45Å; F769-I774 HydrophobicContact CG-CG1 4.26Å; F769-L782 HydrophobicContact CB-CD1 3.95Å; F769-L782 HydrophobicContact CB-CD2 4.22Å; F769-L782 HydrophobicContact CB-CG 3.97Å; F769-L782 HydrophobicContact CD1-CD1 4.27Å; F769-L782 HydrophobicContact CD1-CD2 4.39Å; F769-L782 HydrophobicContact CG-CD1 4.27Å; F769-V796 HydrophobicContact CD2-CG1 4.27Å; F769-V796 HydrophobicContact CE1-CG1 4.3Å; F769-V796 HydrophobicContact CE2-CG1 4.04Å; F769-V796 HydrophobicContact CZ-CG1 4.06Å; F769-F799 AromaticContact CE2-CD1 3.93Å; F769-F799 HydrophobicContact CE2-CD1 3.93Å; F769-F799 HydrophobicContact CE2-CE1 4.17Å; F769-F799 AromaticContact CZ-CD1 3.65Å; F769-F799 HydrophobicContact CZ-CD1 3.65Å; F769-F799 AromaticContact CZ-CE1 3.97Å; F769-F799 HydrophobicContact CZ-CE1 3.97Å; F769-F799 HydrophobicContact CZ-CG 4.25Å; F769-V800 HydrophobicContact CD2-CG2 4.41Å; F769-V800 HydrophobicContact CE2-CG2 3.72Å |
| 770 | I | 87.3 | Confident | 83.9 | Confident | 20 Ų | 20 | 61.5 Ų | 61.5 | 10% | 0.103 | 33% | 0.333 | C | S | . | . | trans | -104.1 | 125.8 | 170.5 | -60.2 | 178.3 | 0 | 0 | 0 | 108 | D753 L772 D773 I774 | D753-I770 HydrophobicContact CB-CG2 4.2Å; I770-L772 HydrophobicContact CG2-CB 4.23Å; I770-L772 PolarHBondContact O-N 3.06Å; I770-L772 VanDerWaalsContact O-N 3.11Å; I770-D773 HydrophobicContact CB-CB 4.37Å; I770-D773 PolarHBondContact O-N 3.44Å; I770-D773 VanDerWaalsContact O-N 3.12Å; I770-I774 PolarHBondContact O-N 3.37Å | ||
| 771 | P | 85.8 | Confident | 83.3 | Confident | 8 Ų | 8 | 56.2 Ų | 56.2 | 5% | 0.052 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.8 | -22.2 | -176.8 | -28.4 | 37.1 | 0 | 0 | 0 | 115.3 | D753 I755 F769 K775 F799 V800 W803 | D753-P771 WeakPolarHBondContact O-CD 3.35Å; I755-P771 HydrophobicContact CD1-CG 4.42Å; I755-P771 HydrophobicContact CG1-CG 3.66Å; F769-P771 HydrophobicContact CE2-CG 4.19Å; P771-K775 PolarHBondContact O-N 2.99Å; P771-F799 HydrophobicContact CG-CE1 4.28Å; P771-V800 HydrophobicContact CB-CG1 4.43Å; P771-V800 HydrophobicContact CB-CG2 4.12Å; P771-V800 WeakPolarHBondContact O-CG1 3.36Å; P771-W803 HydrophobicContact CG-CG 4.37Å |
| 772 | L | 81 | Confident | 83.2 | Confident | 98 Ų | 98 | 50.3 Ų | 50.3 | 51% | 0.513 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -75.3 | -41.5 | 175 | -176.6 | 59.7 | 0 | 0 | 0 | 112 | I770 I774 K775 L776 | I770-L772 HydrophobicContact CG2-CB 4.23Å; I770-L772 PolarHBondContact O-N 3.06Å; I770-L772 VanDerWaalsContact O-N 3.11Å; L772-I774 VanDerWaalsContact C-N 3.35Å; L772-I774 PolarHBondContact O-N 2.84Å; L772-K775 VanDerWaalsContact O-CB 3.31Å; L772-K775 WeakPolarHBondContact O-CB 3.44Å; L772-K775 PolarHBondContact O-N 2.75Å; L772-K775 VanDerWaalsContact O-N 3.14Å; L772-L776 HydrophobicContact CD1-CD1 4.33Å; L772-L776 HydrophobicContact CD1-CG 4.42Å; L772-L776 HydrophobicContact CG-CD1 4.11Å; L772-L776 WeakPolarHBondContact O-CG 3.43Å; L772-L776 PolarHBondContact O-N 3.16Å |
| 773 | D | 83.1 | Confident | 83 | Confident | 43 Ų | 43 | 52.1 Ų | 52.1 | 23% | 0.23 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.5 | -46 | 179.2 | -64 | -10.4 | 0 | 0 | 0 | 110.4 | I770 K775 L776 T777 N778 | I770-D773 HydrophobicContact CB-CB 4.37Å; I770-D773 PolarHBondContact O-N 3.44Å; I770-D773 VanDerWaalsContact O-N 3.12Å; D773-K775 VanDerWaalsContact C-N 3.28Å; D773-K775 PolarHBondContact O-N 3.21Å; D773-L776 CarbonylContact O-C 3.56Å; D773-L776 VanDerWaalsContact O-C 3.3Å; D773-L776 WeakPolarHBondContact O-CA 3.42Å; D773-L776 PolarHBondContact O-N 3.26Å; D773-T777 PolarHBondContact O-N 3.48Å; D773-N778 CarbonylContact C-O 3.52Å; D773-N778 HydrophobicContact CB-CB 4.15Å; D773-N778 PolarHBondContact O-N 2.9Å |
| 774 | I | 85.3 | Confident | 82.4 | Confident | 6 Ų | 6 | 56.1 Ų | 56.1 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.4 | -38.6 | 175.6 | -57.6 | -60.9 | 0 | 0 | 0 | 111.9 | F769 I770 L772 T777 N778 W779 L782 V796 L797 V800 | F769-I774 HydrophobicContact CB-CD1 4.24Å; F769-I774 HydrophobicContact CB-CG1 4.25Å; F769-I774 HydrophobicContact CD2-CD1 4.44Å; F769-I774 HydrophobicContact CD2-CG1 3.67Å; F769-I774 HydrophobicContact CE2-CG1 4.45Å; F769-I774 HydrophobicContact CG-CG1 4.26Å; I770-I774 PolarHBondContact O-N 3.37Å; L772-I774 VanDerWaalsContact C-N 3.35Å; L772-I774 PolarHBondContact O-N 2.84Å; I774-T777 PolarHBondContact O-N 2.65Å; I774-N778 PolarHBondContact N-O 2.94Å; I774-W779 HydrophobicContact CD1-CD2 3.71Å; I774-W779 HydrophobicContact CD1-CE3 3.62Å; I774-W779 HydrophobicContact CD1-CG 4.29Å; I774-W779 HydrophobicContact CD1-CH2 4.16Å; I774-W779 HydrophobicContact CD1-CZ2 4.27Å; I774-W779 HydrophobicContact CD1-CZ3 3.85Å; I774-W779 HydrophobicContact CG2-CH2 3.9Å; I774-W779 HydrophobicContact CG2-CZ2 3.7Å; I774-L782 HydrophobicContact CD1-CD1 4.15Å; I774-V796 HydrophobicContact CD1-CG1 4.35Å; I774-V796 HydrophobicContact CG1-CG1 4.26Å; I774-V796 HydrophobicContact CG2-CG1 4.24Å; I774-L797 HydrophobicContact CG2-CD2 3.94Å; I774-V800 HydrophobicContact CB-CG2 4.05Å; I774-V800 HydrophobicContact CG1-CG2 4.37Å; I774-V800 HydrophobicContact CG2-CB 4.46Å; I774-V800 HydrophobicContact CG2-CG1 4.45Å; I774-V800 HydrophobicContact CG2-CG2 3.94Å |
| 775 | K | 81.2 | Confident | 81.6 | Confident | 123 Ų | 123 | 54.9 Ų | 54.9 | 54% | 0.535 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.6 | -37.4 | 173.8 | -91 | 172.9 | 140.5 | 178.1 | 0 | 112.8 | P771 L772 D773 T777 V800 S804 | P771-K775 PolarHBondContact O-N 2.99Å; L772-K775 VanDerWaalsContact O-CB 3.31Å; L772-K775 WeakPolarHBondContact O-CB 3.44Å; L772-K775 PolarHBondContact O-N 2.75Å; L772-K775 VanDerWaalsContact O-N 3.14Å; D773-K775 VanDerWaalsContact C-N 3.28Å; D773-K775 PolarHBondContact O-N 3.21Å; K775-T777 PolarHBondContact O-N 3.14Å; K775-V800 HydrophobicContact CD-CG1 4.31Å; K775-V800 HydrophobicContact CG-CG1 3.76Å; K775-S804 WeakPolarHBondContact CE-OG 3.49Å; K775-S804 PolarHBondContact NZ-OG 3.36Å |
| 776 | L | 79.8 | Confident | 81.3 | Confident | 118 Ų | 118 | 53 Ų | 53 | 62% | 0.618 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | 10.5 | 174.7 | -62.2 | 174.3 | 0 | 0 | 0 | 112.3 | L772 D773 N778 | L772-L776 HydrophobicContact CD1-CD1 4.33Å; L772-L776 HydrophobicContact CD1-CG 4.42Å; L772-L776 HydrophobicContact CG-CD1 4.11Å; L772-L776 WeakPolarHBondContact O-CG 3.43Å; L772-L776 PolarHBondContact O-N 3.16Å; D773-L776 CarbonylContact O-C 3.56Å; D773-L776 VanDerWaalsContact O-C 3.3Å; D773-L776 WeakPolarHBondContact O-CA 3.42Å; D773-L776 PolarHBondContact O-N 3.26Å; L776-N778 PolarHBondContact O-N 3.14Å |
| 777 | T | 80.6 | Confident | 80.6 | Confident | 114 Ų | 114 | 51.4 Ų | 51.4 | 70% | 0.699 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 18.6 | -176.8 | 61.8 | 0 | 0 | 0 | 0 | 115.3 | D773 I774 K775 W779 | D773-T777 PolarHBondContact O-N 3.48Å; I774-T777 PolarHBondContact O-N 2.65Å; K775-T777 PolarHBondContact O-N 3.14Å; T777-W779 VanDerWaalsContact O-CD1 3.28Å |
| 778 | N | 81 | Confident | 79.9 | Confident | 55 Ų | 55 | 56.2 Ų | 56.2 | 29% | 0.294 | 30% | 0.299 | S | S | . | . | trans | -84.3 | 126.7 | 166.8 | -174.2 | -11.3 | 0 | 0 | 0 | 109.8 | D773 I774 L776 D780 | D773-N778 CarbonylContact C-O 3.52Å; D773-N778 HydrophobicContact CB-CB 4.15Å; D773-N778 PolarHBondContact O-N 2.9Å; I774-N778 PolarHBondContact N-O 2.94Å; L776-N778 PolarHBondContact O-N 3.14Å; N778-D780 PolarHBondContact ND2-OD2 3.31Å; N778-D780 VanDerWaalsContact OD1-CB 3.27Å; N778-D780 WeakPolarHBondContact OD1-CB 3.11Å; N778-D780 PolarHBondContact OD1-N 3.07Å; N778-D780 PolarHBondContact OD1-OD1 2.88Å; N778-D780 PolarHBondContact OD1-OD2 3.4Å; N778-D780 VanDerWaalsContact OD1-OD2 3.14Å | ||
| 779 | W | 81.9 | Confident | 79.3 | Confident | 37 Ų | 37 | 60.3 Ų | 60.3 | 14% | 0.14 | 31% | 0.313 | C | S | . | . | trans | -118.8 | 12.3 | 178.7 | -65.3 | 76.8 | 0 | 0 | 0 | 113.4 | I774 T777 D781 L782 F786 R793 V796 L797 | I774-W779 HydrophobicContact CD1-CD2 3.71Å; I774-W779 HydrophobicContact CD1-CE3 3.62Å; I774-W779 HydrophobicContact CD1-CG 4.29Å; I774-W779 HydrophobicContact CD1-CH2 4.16Å; I774-W779 HydrophobicContact CD1-CZ2 4.27Å; I774-W779 HydrophobicContact CD1-CZ3 3.85Å; I774-W779 HydrophobicContact CG2-CH2 3.9Å; I774-W779 HydrophobicContact CG2-CZ2 3.7Å; T777-W779 VanDerWaalsContact O-CD1 3.28Å; W779-D781 PolarHBondContact O-N 2.89Å; W779-L782 HydrophobicContact CE3-CD1 3.85Å; W779-L782 HydrophobicContact CZ3-CD1 3.94Å; W779-L782 PolarHBondContact O-N 2.98Å; W779-L782 VanDerWaalsContact O-O 3.13Å; W779-F786 HydrophobicContact CE3-CB 4.28Å; W779-F786 HydrophobicContact CZ3-CB 4.25Å; W779-R793 HydrophobicContact CH2-CG 3.98Å; W779-R793 HydrophobicContact CZ2-CG 4.27Å; W779-V796 HydrophobicContact CH2-CB 4.26Å; W779-V796 HydrophobicContact CH2-CG1 4.08Å; W779-V796 HydrophobicContact CZ3-CB 4.25Å; W779-V796 HydrophobicContact CZ3-CG1 4.03Å; W779-L797 HydrophobicContact CH2-CD2 4.46Å; W779-L797 HydrophobicContact CH2-CG 4.38Å; W779-L797 HydrophobicContact CZ2-CD2 4.16Å; W779-L797 HydrophobicContact CZ2-CG 4.44Å | ||
| 780 | D | 76.4 | Confident | 78.8 | Confident | 107 Ų | 107 | 69.1 Ų | 69.1 | 57% | 0.572 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -45.3 | -29.6 | -174.9 | -75.3 | -23.5 | 0 | 0 | 0 | 115.5 | K31 N778 | K31-D780 PolarHBondContact NZ-O 3.14Å; N778-D780 PolarHBondContact ND2-OD2 3.31Å; N778-D780 VanDerWaalsContact OD1-CB 3.27Å; N778-D780 WeakPolarHBondContact OD1-CB 3.11Å; N778-D780 PolarHBondContact OD1-N 3.07Å; N778-D780 PolarHBondContact OD1-OD1 2.88Å; N778-D780 PolarHBondContact OD1-OD2 3.4Å; N778-D780 VanDerWaalsContact OD1-OD2 3.14Å |
| 781 | D | 73.3 | Confident | 78.5 | Confident | 21 Ų | 21 | 72.7 Ų | 72.7 | 11% | 0.112 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -4.4 | -177 | -81.7 | 1.2 | 0 | 0 | 0 | 114.9 | K31 R99 R754 S768 W779 | K31-D781 IonicContact NZ-OD1 2.73Å; K31-D781 PolarHBondContact NZ-OD1 2.85Å; R99-D781 IonicContact NE-OD1 3.08Å; R99-D781 IonicContact NE-OD2 3.9Å; R754-D781 IonicContact CZ-OD2 3.32Å; R754-D781 IonicContact NH1-OD2 3.81Å; R754-D781 PolarHBondContact NH1-OD2 3.28Å; R754-D781 IonicContact NH2-OD2 2.68Å; R754-D781 PolarHBondContact NH2-OD2 3.37Å; S768-D781 CarbonylContact O-C 3.59Å; S768-D781 VanDerWaalsContact O-O 3.1Å; W779-D781 PolarHBondContact O-N 2.89Å |
| 782 | L | 82.1 | Confident | 78.4 | Confident | 16 Ų | 16 | 72.3 Ų | 72.3 | 8% | 0.084 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -115.3 | 149.8 | 172.6 | -64.3 | 177.7 | 0 | 0 | 0 | 111.8 | L757 L767 S768 F769 I774 W779 F786 V796 | L757-L782 HydrophobicContact CD1-CD2 3.65Å; L767-L782 HydrophobicContact CB-CD2 4.24Å; S768-L782 WeakPolarHBondContact O-CD2 3.44Å; F769-L782 HydrophobicContact CB-CD1 3.95Å; F769-L782 HydrophobicContact CB-CD2 4.22Å; F769-L782 HydrophobicContact CB-CG 3.97Å; F769-L782 HydrophobicContact CD1-CD1 4.27Å; F769-L782 HydrophobicContact CD1-CD2 4.39Å; F769-L782 HydrophobicContact CG-CD1 4.27Å; I774-L782 HydrophobicContact CD1-CD1 4.15Å; W779-L782 HydrophobicContact CE3-CD1 3.85Å; W779-L782 HydrophobicContact CZ3-CD1 3.94Å; W779-L782 PolarHBondContact O-N 2.98Å; W779-L782 VanDerWaalsContact O-O 3.13Å; L782-F786 HydrophobicContact CB-CB 3.98Å; L782-F786 HydrophobicContact CB-CG 4.25Å; L782-F786 HydrophobicContact CD1-CB 4.12Å; L782-F786 HydrophobicContact CD1-CD1 4.12Å; L782-F786 HydrophobicContact CD1-CG 4.19Å; L782-V796 HydrophobicContact CD1-CG1 4.39Å; L782-V796 HydrophobicContact CD1-CG2 4.4Å |
| 783 | P | 77.8 | Confident | 78.6 | Confident | 59 Ų | 59 | 72.8 Ų | 72.8 | 38% | 0.383 | 36% | 0.355 | S | S | . | . | trans | -62.2 | 155.7 | 173 | -21.2 | 32.9 | 0 | 0 | 0 | 112.3 | L767 A785 F786 | L767-P783 HydrophobicContact CD1-CG 3.97Å; L767-P783 HydrophobicContact CD2-CG 3.84Å; P783-A785 PolarHBondContact O-N 2.76Å; P783-F786 WeakPolarHBondContact O-CB 3.48Å; P783-F786 PolarHBondContact O-N 2.71Å | ||
| 784 | E | 73.2 | Confident | 78.8 | Confident | 136 Ų | 136 | 74.4 Ų | 74.4 | 64% | 0.636 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -56.9 | -25.8 | 178.4 | -63 | -173.7 | -163.9 | 0 | 0 | 113.6 | F786 S787 Q788 | E784-F786 PolarHBondContact O-N 2.91Å; E784-S787 PolarHBondContact O-N 3.29Å; E784-S787 PolarHBondContact O-OG 2.7Å; E784-S787 VanDerWaalsContact O-OG 3.04Å; E784-Q788 HydrophobicContact CB-CG 4.45Å; E784-Q788 WeakPolarHBondContact O-CB 3.21Å; E784-Q788 WeakPolarHBondContact O-CG 3.25Å; E784-Q788 PolarHBondContact O-N 2.81Å; E784-Q788 PolarHBondContact OE2-NE2 3.03Å |
| 785 | A | 70.1 | Confident | 79 | Confident | 39 Ų | 39 | 76.2 Ų | 76.2 | 32% | 0.322 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -57.7 | -15.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | P783 R789 N792 | P783-A785 PolarHBondContact O-N 2.76Å; A785-R789 WeakPolarHBondContact O-CB 3.46Å; A785-N792 PolarHBondContact O-ND2 3.41Å; A785-N792 VanDerWaalsContact O-ND2 3.09Å |
| 786 | F | 78.6 | Confident | 79.3 | Confident | 1 Ų | 1 | 70.3 Ų | 70.3 | 0% | 0.004 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -94.7 | -21.7 | 172.5 | -79.2 | -99.3 | 0 | 0 | 0 | 114 | Y741 L744 L757 L767 W779 L782 P783 E784 N792 R793 V796 | Y741-F786 AromaticContact CD2-CE2 3.92Å; Y741-F786 HydrophobicContact CD2-CE2 3.92Å; Y741-F786 AromaticContact CD2-CZ 3.65Å; Y741-F786 HydrophobicContact CD2-CZ 3.65Å; Y741-F786 AromaticContact CE2-CE2 3.69Å; Y741-F786 HydrophobicContact CE2-CE2 3.69Å; Y741-F786 AromaticContact CE2-CZ 3.87Å; Y741-F786 HydrophobicContact CE2-CZ 3.87Å; L744-F786 HydrophobicContact CD1-CE1 3.98Å; L757-F786 HydrophobicContact CD1-CE1 3.78Å; L757-F786 HydrophobicContact CD1-CZ 3.87Å; L767-F786 HydrophobicContact CD1-CD2 4.41Å; L767-F786 HydrophobicContact CD1-CE2 3.54Å; L767-F786 HydrophobicContact CD1-CZ 4.04Å; W779-F786 HydrophobicContact CE3-CB 4.28Å; W779-F786 HydrophobicContact CZ3-CB 4.25Å; L782-F786 HydrophobicContact CB-CB 3.98Å; L782-F786 HydrophobicContact CB-CG 4.25Å; L782-F786 HydrophobicContact CD1-CB 4.12Å; L782-F786 HydrophobicContact CD1-CD1 4.12Å; L782-F786 HydrophobicContact CD1-CG 4.19Å; P783-F786 WeakPolarHBondContact O-CB 3.48Å; P783-F786 PolarHBondContact O-N 2.71Å; E784-F786 PolarHBondContact O-N 2.91Å; F786-N792 HydrophobicContact CD1-CB 3.85Å; F786-N792 HydrophobicContact CE1-CB 4.11Å; F786-N792 HydrophobicContact CG-CB 4.21Å; F786-R793 WeakPolarHBondContact O-CB 3.41Å; F786-V796 HydrophobicContact CD1-CG2 3.81Å; F786-V796 HydrophobicContact CE1-CG2 4.07Å |
| 787 | S | 70.9 | Confident | 79.7 | Confident | 36 Ų | 36 | 68.2 Ų | 68.2 | 25% | 0.252 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -35.8 | 175.6 | 61.7 | 0 | 0 | 0 | 0 | 112 | E784 R793 | E784-S787 PolarHBondContact O-N 3.29Å; E784-S787 PolarHBondContact O-OG 2.7Å; E784-S787 VanDerWaalsContact O-OG 3.04Å; S787-R793 WeakPolarHBondContact O-CD 3.41Å; S787-R793 PolarHBondContact O-NH1 2.89Å |
| 788 | Q | 69.9 | Low | 80.1 | Confident | 133 Ų | 133 | 70.1 Ų | 70.1 | 62% | 0.621 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -83.4 | -45 | -178.9 | -61.9 | 176.8 | 5 | 0 | 0 | 113.4 | E784 | E784-Q788 HydrophobicContact CB-CG 4.45Å; E784-Q788 WeakPolarHBondContact O-CB 3.21Å; E784-Q788 WeakPolarHBondContact O-CG 3.25Å; E784-Q788 PolarHBondContact O-N 2.81Å; E784-Q788 PolarHBondContact OE2-NE2 3.03Å |
| 789 | R | 77.5 | Confident | 80.5 | Confident | 94 Ų | 94 | 67.7 Ų | 67.7 | 36% | 0.355 | 32% | 0.315 | S | S | . | . | trans | -82.9 | 126.7 | -178.1 | -61.4 | -71.6 | 172.3 | 139.8 | -0.9 | 111.9 | Q738 A785 E791 R793 | Q738-R789 VanDerWaalsContact CD-NH2 3.26Å; A785-R789 WeakPolarHBondContact O-CB 3.46Å; R789-E791 VanDerWaalsContact C-N 3.29Å; R789-E791 PolarHBondContact O-N 2.86Å; R789-R793 VanDerWaalsContact O-CB 3.23Å; R789-R793 WeakPolarHBondContact O-CB 3.44Å; R789-R793 PolarHBondContact O-N 2.87Å; R789-R793 VanDerWaalsContact O-N 3.1Å | ||
| 790 | R | 78.7 | Confident | 80.9 | Confident | 187 Ų | 187 | 66.1 Ų | 66.1 | 71% | 0.706 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -64.9 | -33.2 | -173.4 | -171.9 | 178.8 | -174.5 | -176.7 | 2.4 | 112.2 | I794 | R790-I794 HydrophobicContact CG-CD1 3.75Å; R790-I794 HydrophobicContact CG-CG1 4.39Å; R790-I794 WeakPolarHBondContact O-CB 3.24Å; R790-I794 WeakPolarHBondContact O-CG1 3.41Å; R790-I794 PolarHBondContact O-N 3.25Å |
| 791 | E | 81.3 | Confident | 81.4 | Confident | 95 Ų | 95 | 68 Ų | 68 | 44% | 0.444 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -73.1 | -45.8 | -173.7 | -59.5 | 62.2 | -131.7 | 0 | 0 | 111.5 | V740 R789 Q795 | V740-E791 HydrophobicContact CG1-CB 4.07Å; V740-E791 HydrophobicContact CG1-CG 4.48Å; R789-E791 VanDerWaalsContact C-N 3.29Å; R789-E791 PolarHBondContact O-N 2.86Å; E791-Q795 WeakPolarHBondContact O-CG 3.36Å; E791-Q795 PolarHBondContact O-N 2.83Å; E791-Q795 PolarHBondContact O-NE2 2.91Å; E791-Q795 VanDerWaalsContact O-NE2 3.12Å |
| 792 | N | 83.7 | Confident | 82.2 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67 | -45.2 | 174.1 | -67.4 | -20.6 | 0 | 0 | 0 | 109.9 | L739 Y741 A785 F786 I794 Q795 V796 | L739-N792 PolarHBondContact O-ND2 3.07Å; Y741-N792 PolarHBondContact N-OD1 2.93Å; A785-N792 PolarHBondContact O-ND2 3.41Å; A785-N792 VanDerWaalsContact O-ND2 3.09Å; F786-N792 HydrophobicContact CD1-CB 3.85Å; F786-N792 HydrophobicContact CE1-CB 4.11Å; F786-N792 HydrophobicContact CG-CB 4.21Å; N792-I794 PolarHBondContact O-N 2.87Å; N792-Q795 PolarHBondContact O-N 3.21Å; N792-V796 PolarHBondContact O-N 3.21Å |
| 793 | R | 84.9 | Confident | 82.4 | Confident | 109 Ų | 109 | 68.6 Ų | 68.6 | 41% | 0.411 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.1 | -43.8 | 179.7 | -171.9 | 163.9 | 170.1 | 172.9 | -4.3 | 113.3 | W779 F786 S787 R789 Q795 V796 L797 | W779-R793 HydrophobicContact CH2-CG 3.98Å; W779-R793 HydrophobicContact CZ2-CG 4.27Å; F786-R793 WeakPolarHBondContact O-CB 3.41Å; S787-R793 WeakPolarHBondContact O-CD 3.41Å; S787-R793 PolarHBondContact O-NH1 2.89Å; R789-R793 VanDerWaalsContact O-CB 3.23Å; R789-R793 WeakPolarHBondContact O-CB 3.44Å; R789-R793 PolarHBondContact O-N 2.87Å; R789-R793 VanDerWaalsContact O-N 3.1Å; R793-Q795 VanDerWaalsContact C-N 3.34Å; R793-Q795 PolarHBondContact O-N 3Å; R793-V796 PolarHBondContact O-N 2.96Å; R793-L797 HydrophobicContact CG-CD1 3.82Å; R793-L797 HydrophobicContact CG-CG 4.31Å; R793-L797 WeakPolarHBondContact O-CB 3.49Å; R793-L797 VanDerWaalsContact O-CG 3.31Å; R793-L797 WeakPolarHBondContact O-CG 3.33Å; R793-L797 PolarHBondContact O-N 2.71Å |
| 794 | I | 86.9 | Confident | 82.6 | Confident | 77 Ų | 77 | 67.9 Ų | 67.9 | 40% | 0.395 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.7 | -39.6 | 178.1 | -77 | 169.9 | 0 | 0 | 0 | 111.6 | R790 N792 R798 | R790-I794 HydrophobicContact CG-CD1 3.75Å; R790-I794 HydrophobicContact CG-CG1 4.39Å; R790-I794 WeakPolarHBondContact O-CB 3.24Å; R790-I794 WeakPolarHBondContact O-CG1 3.41Å; R790-I794 PolarHBondContact O-N 3.25Å; N792-I794 PolarHBondContact O-N 2.87Å; I794-R798 VanDerWaalsContact O-CB 3.29Å; I794-R798 WeakPolarHBondContact O-CB 3.31Å; I794-R798 PolarHBondContact O-N 2.94Å |
| 795 | Q | 88.6 | Confident | 83 | Confident | 43 Ų | 43 | 66 Ų | 66 | 20% | 0.201 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.5 | -45.6 | 178.3 | -72.2 | 174.9 | 93.9 | 0 | 0 | 111.7 | Y741 G743 L744 E791 N792 R793 F799 | Y741-Q795 PolarHBondContact O-NE2 3.32Å; Y741-Q795 PolarHBondContact O-OE1 3Å; G743-Q795 VanDerWaalsContact N-OE1 3.09Å; L744-Q795 HydrophobicContact CD1-CB 4.06Å; E791-Q795 WeakPolarHBondContact O-CG 3.36Å; E791-Q795 PolarHBondContact O-N 2.83Å; E791-Q795 PolarHBondContact O-NE2 2.91Å; E791-Q795 VanDerWaalsContact O-NE2 3.12Å; N792-Q795 PolarHBondContact O-N 3.21Å; R793-Q795 VanDerWaalsContact C-N 3.34Å; R793-Q795 PolarHBondContact O-N 3Å; Q795-F799 PolarHBondContact O-N 3.15Å |
| 796 | V | 87.3 | Confident | 83.4 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.1 | -43.7 | 177.2 | 178.5 | 0 | 0 | 0 | 0 | 111.5 | F769 I774 W779 L782 F786 N792 R793 R798 F799 V800 | F769-V796 HydrophobicContact CD2-CG1 4.27Å; F769-V796 HydrophobicContact CE1-CG1 4.3Å; F769-V796 HydrophobicContact CE2-CG1 4.04Å; F769-V796 HydrophobicContact CZ-CG1 4.06Å; I774-V796 HydrophobicContact CD1-CG1 4.35Å; I774-V796 HydrophobicContact CG1-CG1 4.26Å; I774-V796 HydrophobicContact CG2-CG1 4.24Å; W779-V796 HydrophobicContact CH2-CB 4.26Å; W779-V796 HydrophobicContact CH2-CG1 4.08Å; W779-V796 HydrophobicContact CZ3-CB 4.25Å; W779-V796 HydrophobicContact CZ3-CG1 4.03Å; L782-V796 HydrophobicContact CD1-CG1 4.39Å; L782-V796 HydrophobicContact CD1-CG2 4.4Å; F786-V796 HydrophobicContact CD1-CG2 3.81Å; F786-V796 HydrophobicContact CE1-CG2 4.07Å; N792-V796 PolarHBondContact O-N 3.21Å; R793-V796 PolarHBondContact O-N 2.96Å; V796-R798 PolarHBondContact O-N 2.81Å; V796-F799 WeakPolarHBondContact O-CB 3.4Å; V796-F799 PolarHBondContact O-N 3.48Å; V796-V800 HydrophobicContact CG1-CG2 4.35Å; V796-V800 WeakPolarHBondContact O-CB 3.35Å; V796-V800 VanDerWaalsContact O-CG2 3.31Å; V796-V800 WeakPolarHBondContact O-CG2 3.38Å; V796-V800 PolarHBondContact O-N 3.44Å |
| 797 | L | 88.5 | Confident | 83.1 | Confident | 73 Ų | 73 | 67.9 Ų | 67.9 | 38% | 0.382 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.6 | -41.1 | 177.9 | -72.7 | 175.1 | 0 | 0 | 0 | 112.5 | I774 W779 R793 V800 Q801 | I774-L797 HydrophobicContact CG2-CD2 3.94Å; W779-L797 HydrophobicContact CH2-CD2 4.46Å; W779-L797 HydrophobicContact CH2-CG 4.38Å; W779-L797 HydrophobicContact CZ2-CD2 4.16Å; W779-L797 HydrophobicContact CZ2-CG 4.44Å; R793-L797 HydrophobicContact CG-CD1 3.82Å; R793-L797 HydrophobicContact CG-CG 4.31Å; R793-L797 WeakPolarHBondContact O-CB 3.49Å; R793-L797 VanDerWaalsContact O-CG 3.31Å; R793-L797 WeakPolarHBondContact O-CG 3.33Å; R793-L797 PolarHBondContact O-N 2.71Å; L797-V800 PolarHBondContact O-N 3.26Å; L797-Q801 WeakPolarHBondContact O-CB 3.48Å; L797-Q801 PolarHBondContact O-N 3.17Å |
| 798 | R | 88.9 | Confident | 82.9 | Confident | 155 Ų | 155 | 68.6 Ų | 68.6 | 59% | 0.585 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -60.7 | -47.1 | 173.8 | -176.4 | -176 | -63.6 | 174.5 | 0 | 111.2 | I794 V796 V800 Q801 E802 | I794-R798 VanDerWaalsContact O-CB 3.29Å; I794-R798 WeakPolarHBondContact O-CB 3.31Å; I794-R798 PolarHBondContact O-N 2.94Å; V796-R798 PolarHBondContact O-N 2.81Å; R798-V800 VanDerWaalsContact C-N 3.31Å; R798-V800 PolarHBondContact O-N 3.42Å; R798-Q801 PolarHBondContact O-N 2.86Å; R798-E802 PolarHBondContact O-N 2.81Å |
| 799 | F | 90.8 | Very high | 82.6 | Confident | 3 Ų | 3 | 64 Ų | 64 | 1% | 0.013 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -55.5 | -47.9 | 174.2 | 175.5 | -77.8 | 0 | 0 | 0 | 111 | F746 I755 F769 P771 Q795 V796 Q801 E802 W803 F821 P824 | F746-F799 HydrophobicContact CB-CD2 3.94Å; F746-F799 HydrophobicContact CB-CE2 3.53Å; F746-F799 HydrophobicContact CB-CZ 4.46Å; F746-F799 HydrophobicContact CD1-CB 4.48Å; F746-F799 AromaticContact CD1-CD2 3.42Å; F746-F799 HydrophobicContact CD1-CD2 3.42Å; F746-F799 VanDerWaalsContact CD1-CD2 3.42Å; F746-F799 AromaticContact CD1-CE2 3.73Å; F746-F799 HydrophobicContact CD1-CE2 3.73Å; F746-F799 AromaticContact CD1-CG 3.91Å; F746-F799 HydrophobicContact CD1-CG 3.91Å; F746-F799 HydrophobicContact CD1-CZ 4.49Å; F746-F799 AromaticContact CD2-CD2 3.54Å; F746-F799 HydrophobicContact CD2-CD2 3.54Å; F746-F799 HydrophobicContact CD2-CE2 4.05Å; F746-F799 HydrophobicContact CD2-CG 4.49Å; F746-F799 HydrophobicContact CE1-CB 3.88Å; F746-F799 AromaticContact CE1-CD2 3.7Å; F746-F799 HydrophobicContact CE1-CD2 3.7Å; F746-F799 HydrophobicContact CE1-CE2 4.43Å; F746-F799 AromaticContact CE1-CG 3.8Å; F746-F799 HydrophobicContact CE1-CG 3.8Å; F746-F799 HydrophobicContact CE2-CB 4.25Å; F746-F799 AromaticContact CE2-CD2 3.82Å; F746-F799 HydrophobicContact CE2-CD2 3.82Å; F746-F799 HydrophobicContact CE2-CG 4.41Å; F746-F799 AromaticContact CG-CD2 3.34Å; F746-F799 HydrophobicContact CG-CD2 3.34Å; F746-F799 AromaticContact CG-CE2 3.5Å; F746-F799 HydrophobicContact CG-CE2 3.5Å; F746-F799 VanDerWaalsContact CG-CE2 3.5Å; F746-F799 HydrophobicContact CG-CG 4.26Å; F746-F799 HydrophobicContact CZ-CB 3.76Å; F746-F799 AromaticContact CZ-CD2 3.9Å; F746-F799 HydrophobicContact CZ-CD2 3.9Å; F746-F799 HydrophobicContact CZ-CG 4.07Å; I755-F799 HydrophobicContact CB-CE1 4.38Å; I755-F799 HydrophobicContact CB-CZ 4.33Å; I755-F799 HydrophobicContact CD1-CE1 4.18Å; I755-F799 HydrophobicContact CD1-CZ 3.84Å; I755-F799 HydrophobicContact CG1-CE1 3.74Å; I755-F799 HydrophobicContact CG1-CZ 3.82Å; I755-F799 HydrophobicContact CG2-CE1 4.01Å; I755-F799 HydrophobicContact CG2-CE2 4.08Å; I755-F799 HydrophobicContact CG2-CZ 3.62Å; F769-F799 AromaticContact CE2-CD1 3.93Å; F769-F799 HydrophobicContact CE2-CD1 3.93Å; F769-F799 HydrophobicContact CE2-CE1 4.17Å; F769-F799 AromaticContact CZ-CD1 3.65Å; F769-F799 HydrophobicContact CZ-CD1 3.65Å; F769-F799 AromaticContact CZ-CE1 3.97Å; F769-F799 HydrophobicContact CZ-CE1 3.97Å; F769-F799 HydrophobicContact CZ-CG 4.25Å; P771-F799 HydrophobicContact CG-CE1 4.28Å; Q795-F799 PolarHBondContact O-N 3.15Å; V796-F799 WeakPolarHBondContact O-CB 3.4Å; V796-F799 PolarHBondContact O-N 3.48Å; F799-Q801 VanDerWaalsContact C-N 3.34Å; F799-Q801 PolarHBondContact O-N 3.45Å; F799-E802 PolarHBondContact O-N 3.36Å; F799-W803 HydrophobicContact CD1-CB 4.17Å; F799-W803 HydrophobicContact CE1-CB 3.75Å; F799-W803 HydrophobicContact CE1-CD2 4.04Å; F799-W803 HydrophobicContact CE1-CE3 4.06Å; F799-W803 AromaticContact CE1-CG 3.91Å; F799-W803 HydrophobicContact CE1-CG 3.91Å; F799-W803 HydrophobicContact CE2-CE3 4.36Å; F799-W803 HydrophobicContact CZ-CB 4.29Å; F799-W803 AromaticContact CZ-CD2 3.99Å; F799-W803 HydrophobicContact CZ-CD2 3.99Å; F799-W803 AromaticContact CZ-CE3 3.53Å; F799-W803 HydrophobicContact CZ-CE3 3.53Å; F799-W803 HydrophobicContact CZ-CG 4.31Å; F799-W803 HydrophobicContact CZ-CZ3 4.23Å; F799-W803 WeakPolarHBondContact O-CB 3.23Å; F799-W803 PolarHBondContact O-N 3.11Å; F799-F821 AromaticContact CE2-CE2 3.75Å; F799-F821 HydrophobicContact CE2-CE2 3.75Å; F799-F821 HydrophobicContact CE2-CZ 4.39Å; F799-F821 HydrophobicContact CZ-CE2 4.44Å; F799-P824 HydrophobicContact CD2-CG 3.88Å; F799-P824 HydrophobicContact CE2-CG 3.75Å; F799-P824 HydrophobicContact CG-CG 4.47Å; F799-P824 HydrophobicContact CZ-CG 4.17Å |
| 800 | V | 89.1 | Confident | 82.4 | Confident | 4 Ų | 4 | 64.9 Ų | 64.9 | 2% | 0.024 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.9 | -35.7 | -176.3 | 168.7 | 0 | 0 | 0 | 0 | 111.8 | F769 P771 I774 K775 V796 L797 R798 S804 | F769-V800 HydrophobicContact CD2-CG2 4.41Å; F769-V800 HydrophobicContact CE2-CG2 3.72Å; P771-V800 HydrophobicContact CB-CG1 4.43Å; P771-V800 HydrophobicContact CB-CG2 4.12Å; P771-V800 WeakPolarHBondContact O-CG1 3.36Å; I774-V800 HydrophobicContact CB-CG2 4.05Å; I774-V800 HydrophobicContact CG1-CG2 4.37Å; I774-V800 HydrophobicContact CG2-CB 4.46Å; I774-V800 HydrophobicContact CG2-CG1 4.45Å; I774-V800 HydrophobicContact CG2-CG2 3.94Å; K775-V800 HydrophobicContact CD-CG1 4.31Å; K775-V800 HydrophobicContact CG-CG1 3.76Å; V796-V800 HydrophobicContact CG1-CG2 4.35Å; V796-V800 WeakPolarHBondContact O-CB 3.35Å; V796-V800 VanDerWaalsContact O-CG2 3.31Å; V796-V800 WeakPolarHBondContact O-CG2 3.38Å; V796-V800 PolarHBondContact O-N 3.44Å; L797-V800 PolarHBondContact O-N 3.26Å; R798-V800 VanDerWaalsContact C-N 3.31Å; R798-V800 PolarHBondContact O-N 3.42Å; V800-S804 WeakPolarHBondContact O-CB 3.46Å; V800-S804 PolarHBondContact O-N 2.59Å; V800-S804 PolarHBondContact O-OG 2.82Å |
| 801 | Q | 87.9 | Confident | 82.5 | Confident | 147 Ų | 147 | 57.7 Ų | 57.7 | 69% | 0.687 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -65 | -50.9 | 173 | -173.8 | -179.6 | 6.7 | 0 | 0 | 111.6 | L797 R798 F799 S804 S805 | L797-Q801 WeakPolarHBondContact O-CB 3.48Å; L797-Q801 PolarHBondContact O-N 3.17Å; R798-Q801 PolarHBondContact O-N 2.86Å; F799-Q801 VanDerWaalsContact C-N 3.34Å; F799-Q801 PolarHBondContact O-N 3.45Å; Q801-S804 PolarHBondContact O-N 2.96Å; Q801-S805 PolarHBondContact O-N 3.28Å; Q801-S805 VanDerWaalsContact O-N 3.15Å |
| 802 | E | 88.7 | Confident | 82 | Confident | 43 Ų | 43 | 56 Ų | 56 | 20% | 0.201 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.1 | -49.4 | 176.2 | -76 | -171.1 | -121.6 | 0 | 0 | 111.8 | R798 F799 S804 S805 L806 S823 P824 T825 | R798-E802 PolarHBondContact O-N 2.81Å; F799-E802 PolarHBondContact O-N 3.36Å; E802-S804 PolarHBondContact O-N 3.16Å; E802-S805 PolarHBondContact O-N 3.15Å; E802-S805 VanDerWaalsContact O-N 3.08Å; E802-S805 PolarHBondContact O-OG 3.18Å; E802-L806 WeakPolarHBondContact O-CG 3.5Å; E802-L806 PolarHBondContact O-N 3.38Å; E802-S823 WeakPolarHBondContact OE2-CB 3.26Å; E802-S823 PolarHBondContact OE2-OG 3.38Å; E802-P824 HydrophobicContact CB-CB 4.48Å; E802-P824 HydrophobicContact CB-CG 4.01Å; E802-T825 WeakPolarHBondContact OE2-CB 3.23Å; E802-T825 PolarHBondContact OE2-N 3.41Å; E802-T825 PolarHBondContact OE2-OG1 3.13Å |
| 803 | W | 87.3 | Confident | 81.5 | Confident | 7 Ų | 7 | 58.2 Ų | 58.2 | 3% | 0.027 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -56.4 | -39.5 | 178.4 | -175.2 | -89.2 | 0 | 0 | 0 | 111.5 | A748 I755 P771 F799 L806 Q811 L814 R815 F821 P824 | A748-W803 HydrophobicContact CB-CH2 3.88Å; A748-W803 HydrophobicContact CB-CZ3 4.31Å; I755-W803 HydrophobicContact CD1-CE3 4.47Å; I755-W803 HydrophobicContact CD1-CH2 4.15Å; I755-W803 HydrophobicContact CD1-CZ2 4.18Å; I755-W803 HydrophobicContact CD1-CZ3 4.29Å; P771-W803 HydrophobicContact CG-CG 4.37Å; F799-W803 HydrophobicContact CD1-CB 4.17Å; F799-W803 HydrophobicContact CE1-CB 3.75Å; F799-W803 HydrophobicContact CE1-CD2 4.04Å; F799-W803 HydrophobicContact CE1-CE3 4.06Å; F799-W803 AromaticContact CE1-CG 3.91Å; F799-W803 HydrophobicContact CE1-CG 3.91Å; F799-W803 HydrophobicContact CE2-CE3 4.36Å; F799-W803 HydrophobicContact CZ-CB 4.29Å; F799-W803 AromaticContact CZ-CD2 3.99Å; F799-W803 HydrophobicContact CZ-CD2 3.99Å; F799-W803 AromaticContact CZ-CE3 3.53Å; F799-W803 HydrophobicContact CZ-CE3 3.53Å; F799-W803 HydrophobicContact CZ-CG 4.31Å; F799-W803 HydrophobicContact CZ-CZ3 4.23Å; F799-W803 WeakPolarHBondContact O-CB 3.23Å; F799-W803 PolarHBondContact O-N 3.11Å; W803-L806 WeakPolarHBondContact O-CB 3.37Å; W803-L806 PolarHBondContact O-N 3.31Å; W803-Q811 HydrophobicContact CD2-CG 4.13Å; W803-Q811 HydrophobicContact CH2-CB 3.89Å; W803-Q811 HydrophobicContact CH2-CG 4.28Å; W803-Q811 HydrophobicContact CZ2-CB 3.46Å; W803-Q811 VanDerWaalsContact CZ2-CB 3.46Å; W803-Q811 HydrophobicContact CZ2-CG 3.68Å; W803-Q811 VanDerWaalsContact NE1-OE1 3.07Å; W803-Q811 PolarHBondContact O-NE2 2.92Å; W803-L814 HydrophobicContact CE3-CD1 4.24Å; W803-L814 HydrophobicContact CH2-CB 4.25Å; W803-L814 HydrophobicContact CH2-CD1 4.44Å; W803-L814 HydrophobicContact CZ3-CB 4.06Å; W803-L814 HydrophobicContact CZ3-CD1 3.63Å; W803-R815 HydrophobicContact CH2-CG 4.21Å; W803-F821 HydrophobicContact CZ3-CZ 4.11Å; W803-P824 HydrophobicContact CB-CG 4.2Å; W803-P824 HydrophobicContact CE3-CB 4.1Å; W803-P824 HydrophobicContact CE3-CG 4.05Å |
| 804 | S | 82.4 | Confident | 81.2 | Confident | 44 Ų | 44 | 53 Ų | 53 | 31% | 0.308 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -72.6 | -22.5 | 178.9 | -66.7 | 0 | 0 | 0 | 0 | 115.1 | K775 V800 Q801 E802 | K775-S804 WeakPolarHBondContact CE-OG 3.49Å; K775-S804 PolarHBondContact NZ-OG 3.36Å; V800-S804 WeakPolarHBondContact O-CB 3.46Å; V800-S804 PolarHBondContact O-N 2.59Å; V800-S804 PolarHBondContact O-OG 2.82Å; Q801-S804 PolarHBondContact O-N 2.96Å; E802-S804 PolarHBondContact O-N 3.16Å |
| 805 | S | 81.8 | Confident | 81 | Confident | 97 Ų | 97 | 51 Ų | 51 | 68% | 0.678 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -83.8 | -14.9 | 174.1 | 73.5 | 0 | 0 | 0 | 0 | 112.4 | Q801 E802 | Q801-S805 PolarHBondContact O-N 3.28Å; Q801-S805 VanDerWaalsContact O-N 3.15Å; E802-S805 PolarHBondContact O-N 3.15Å; E802-S805 VanDerWaalsContact O-N 3.08Å; E802-S805 PolarHBondContact O-OG 3.18Å |
| 806 | L | 78 | Confident | 80.1 | Confident | 17 Ų | 17 | 53.8 Ų | 53.8 | 9% | 0.089 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -74 | 129.6 | 171.7 | -60.2 | -178 | 0 | 0 | 0 | 111.7 | E802 W803 K810 Q811 L814 P824 L828 | E802-L806 WeakPolarHBondContact O-CG 3.5Å; E802-L806 PolarHBondContact O-N 3.38Å; W803-L806 WeakPolarHBondContact O-CB 3.37Å; W803-L806 PolarHBondContact O-N 3.31Å; L806-K810 HydrophobicContact CB-CB 4.11Å; L806-K810 HydrophobicContact CD2-CB 4.4Å; L806-K810 HydrophobicContact CD2-CD 4.14Å; L806-Q811 HydrophobicContact CB-CG 3.91Å; L806-Q811 PolarHBondContact O-NE2 2.71Å; L806-Q811 VanDerWaalsContact O-NE2 3.07Å; L806-L814 HydrophobicContact CD1-CD1 3.77Å; L806-P824 HydrophobicContact CD1-CB 3.48Å; L806-P824 VanDerWaalsContact CD1-CB 3.48Å; L806-P824 HydrophobicContact CG-CB 4.43Å; L806-L828 HydrophobicContact CD1-CD1 3.6Å; L806-L828 HydrophobicContact CD2-CD1 3.41Å; L806-L828 VanDerWaalsContact CD2-CD1 3.41Å; L806-L828 HydrophobicContact CG-CD1 4.12Å |
| 807 | A | 72.6 | Confident | 79.5 | Confident | 62 Ų | 62 | 55.6 Ų | 55.6 | 51% | 0.512 | 29% | 0.288 | S | S | . | . | trans | -56.1 | 148.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | M809 K810 Q811 | A807-M809 PolarHBondContact O-N 3.17Å; A807-K810 WeakPolarHBondContact O-CB 3.47Å; A807-K810 PolarHBondContact O-N 2.86Å; A807-Q811 PolarHBondContact O-N 3.44Å | ||
| 808 | A | 66.8 | Low | 78.9 | Confident | 50 Ų | 50 | 53.7 Ų | 53.7 | 41% | 0.413 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -53.2 | -33.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q811 K812 | A808-Q811 WeakPolarHBondContact O-CB 3.49Å; A808-Q811 PolarHBondContact O-N 3.16Å; A808-K812 WeakPolarHBondContact O-CB 3.28Å; A808-K812 PolarHBondContact O-N 2.99Å |
| 809 | M | 62.5 | Low | 78.5 | Confident | 38 Ų | 38 | 51 Ų | 51 | 19% | 0.187 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.5 | -37 | 175.6 | -170.9 | 57.3 | -145.9 | 0 | 0 | 113.7 | A807 K812 L813 A973 M1047 | A807-M809 PolarHBondContact O-N 3.17Å; M809-K812 PolarHBondContact O-N 3.07Å; M809-L813 PolarHBondContact O-N 3.33Å; M809-A973 HydrophobicContact CB-CB 3.67Å; M809-A973 HydrophobicContact CG-CB 3.93Å; M809-A973 HydrophobicContact SD-CB 3.98Å; M809-M1047 HydrophobicContact CE-CB 3.88Å; M809-M1047 HydrophobicContact CE-CE 4.44Å; M809-M1047 HydrophobicContact CE-CG 3.75Å; M809-M1047 HydrophobicContact CG-CE 4.38Å; M809-M1047 HydrophobicContact SD-CE 3.92Å; M809-M1047 HydrophobicContact SD-CG 4.44Å |
| 810 | K | 74.9 | Confident | 78.3 | Confident | 112 Ų | 112 | 53.6 Ų | 53.6 | 49% | 0.487 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.8 | -42.2 | 175.7 | -74.5 | 178.7 | 174.8 | -178.2 | 0 | 110.4 | L806 A807 K812 L813 L814 L828 | L806-K810 HydrophobicContact CB-CB 4.11Å; L806-K810 HydrophobicContact CD2-CB 4.4Å; L806-K810 HydrophobicContact CD2-CD 4.14Å; A807-K810 WeakPolarHBondContact O-CB 3.47Å; A807-K810 PolarHBondContact O-N 2.86Å; K810-K812 PolarHBondContact O-N 2.87Å; K810-L813 PolarHBondContact O-N 3.29Å; K810-L814 PolarHBondContact O-N 2.63Å; K810-L814 VanDerWaalsContact O-N 3.17Å; K810-L828 HydrophobicContact CB-CD1 3.79Å; K810-L828 HydrophobicContact CB-CD2 4.02Å; K810-L828 HydrophobicContact CD-CD1 4.11Å; K810-L828 HydrophobicContact CG-CD1 4.17Å; K810-L828 HydrophobicContact CG-CD2 4.33Å |
| 811 | Q | 79.4 | Confident | 78.2 | Confident | 35 Ų | 35 | 53.5 Ų | 53.5 | 16% | 0.164 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.5 | -45.9 | 169.9 | -64.6 | -176.8 | 16.4 | 0 | 0 | 111.7 | W803 L806 A807 A808 L813 L814 R815 | W803-Q811 HydrophobicContact CD2-CG 4.13Å; W803-Q811 HydrophobicContact CH2-CB 3.89Å; W803-Q811 HydrophobicContact CH2-CG 4.28Å; W803-Q811 HydrophobicContact CZ2-CB 3.46Å; W803-Q811 VanDerWaalsContact CZ2-CB 3.46Å; W803-Q811 HydrophobicContact CZ2-CG 3.68Å; W803-Q811 VanDerWaalsContact NE1-OE1 3.07Å; W803-Q811 PolarHBondContact O-NE2 2.92Å; L806-Q811 HydrophobicContact CB-CG 3.91Å; L806-Q811 PolarHBondContact O-NE2 2.71Å; L806-Q811 VanDerWaalsContact O-NE2 3.07Å; A807-Q811 PolarHBondContact O-N 3.44Å; A808-Q811 WeakPolarHBondContact O-CB 3.49Å; A808-Q811 PolarHBondContact O-N 3.16Å; Q811-L813 PolarHBondContact O-N 2.96Å; Q811-L814 PolarHBondContact O-N 3.28Å; Q811-R815 WeakPolarHBondContact O-CG 3.5Å; Q811-R815 PolarHBondContact O-N 3.48Å |
| 812 | K | 71.1 | Confident | 78.1 | Confident | 60 Ų | 60 | 51.6 Ų | 51.6 | 26% | 0.261 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.1 | -35.3 | 177.3 | -175.3 | 165.9 | -178.4 | 165.6 | 0 | 113 | A808 M809 K810 R816 E972 | A808-K812 WeakPolarHBondContact O-CB 3.28Å; A808-K812 PolarHBondContact O-N 2.99Å; M809-K812 PolarHBondContact O-N 3.07Å; K810-K812 PolarHBondContact O-N 2.87Å; K812-R816 HydrophobicContact CG-CG 4.36Å; K812-R816 WeakPolarHBondContact O-CB 3.33Å; K812-R816 WeakPolarHBondContact O-CG 3.5Å; K812-R816 PolarHBondContact O-N 3.01Å; K812-E972 IonicContact NZ-OE1 2.74Å; K812-E972 PolarHBondContact NZ-OE1 2.98Å; K812-E972 IonicContact NZ-OE2 3.73Å; K812-E972 PolarHBondContact NZ-OE2 3.16Å |
| 813 | L | 73.1 | Confident | 78 | Confident | 46 Ų | 46 | 50.2 Ų | 50.2 | 24% | 0.241 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 174.7 | -163.1 | 78.5 | 0 | 0 | 0 | 111.3 | M809 K810 Q811 R816 S817 L828 L831 | M809-L813 PolarHBondContact O-N 3.33Å; K810-L813 PolarHBondContact O-N 3.29Å; Q811-L813 PolarHBondContact O-N 2.96Å; L813-R816 PolarHBondContact O-N 3.41Å; L813-S817 PolarHBondContact O-N 3.39Å; L813-S817 VanDerWaalsContact O-N 3.08Å; L813-L828 HydrophobicContact CB-CD2 4.36Å; L813-L828 HydrophobicContact CD2-CD2 4Å; L813-L831 HydrophobicContact CD2-CB 4.2Å; L813-L831 HydrophobicContact CD2-CD1 4.18Å; L813-L831 HydrophobicContact CG-CD1 4.21Å |
| 814 | L | 79.8 | Confident | 77.9 | Confident | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.5 | -50.7 | 175.1 | -70.4 | 168 | 0 | 0 | 0 | 111.4 | W803 L806 K810 Q811 R816 S817 F821 P824 L828 L831 | W803-L814 HydrophobicContact CE3-CD1 4.24Å; W803-L814 HydrophobicContact CH2-CB 4.25Å; W803-L814 HydrophobicContact CH2-CD1 4.44Å; W803-L814 HydrophobicContact CZ3-CB 4.06Å; W803-L814 HydrophobicContact CZ3-CD1 3.63Å; L806-L814 HydrophobicContact CD1-CD1 3.77Å; K810-L814 PolarHBondContact O-N 2.63Å; K810-L814 VanDerWaalsContact O-N 3.17Å; Q811-L814 PolarHBondContact O-N 3.28Å; L814-R816 VanDerWaalsContact C-N 3.33Å; L814-R816 PolarHBondContact O-N 3.17Å; L814-S817 WeakPolarHBondContact O-CB 3.45Å; L814-S817 PolarHBondContact O-N 3.42Å; L814-S817 PolarHBondContact O-OG 3.28Å; L814-F821 HydrophobicContact CB-CE1 4.16Å; L814-F821 HydrophobicContact CB-CZ 4.19Å; L814-F821 HydrophobicContact CD1-CE2 4.32Å; L814-F821 HydrophobicContact CD1-CZ 4.12Å; L814-F821 HydrophobicContact CD2-CD1 4.05Å; L814-F821 HydrophobicContact CD2-CE1 3.88Å; L814-F821 HydrophobicContact CD2-CG 4.47Å; L814-F821 HydrophobicContact CD2-CZ 4.13Å; L814-F821 HydrophobicContact CG-CE1 4.46Å; L814-F821 HydrophobicContact CG-CZ 4.38Å; L814-P824 HydrophobicContact CD1-CB 3.92Å; L814-L828 HydrophobicContact CD1-CD1 4.28Å; L814-L828 HydrophobicContact CD1-CD2 4.39Å; L814-L828 HydrophobicContact CD1-CG 4.02Å; L814-L828 HydrophobicContact CD2-CD2 4.33Å; L814-L828 HydrophobicContact CD2-CG 4.12Å; L814-L828 HydrophobicContact CG-CD2 3.97Å; L814-L828 HydrophobicContact CG-CG 4.01Å; L814-L831 HydrophobicContact CD2-CD1 3.92Å |
| 815 | R | 80.9 | Confident | 78 | Confident | 34 Ų | 34 | 50.4 Ų | 50.4 | 13% | 0.128 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -52.3 | -47.9 | 175.9 | -72.9 | -177.7 | -165.4 | 177.3 | 9.3 | 113.2 | A748 S749 T752 D753 W803 Q811 S817 G818 | A748-R815 HydrophobicContact CB-CB 4.43Å; A748-R815 HydrophobicContact CB-CG 3.6Å; S749-R815 WeakPolarHBondContact O-CB 3.47Å; S749-R815 WeakPolarHBondContact O-CG 3.15Å; T752-R815 VanDerWaalsContact O-CZ 3.25Å; T752-R815 PolarHBondContact O-NE 3.1Å; T752-R815 PolarHBondContact O-NH1 3Å; D753-R815 IonicContact OD1-CZ 2.77Å; D753-R815 IonicContact OD1-NH1 2.65Å; D753-R815 PolarHBondContact OD1-NH1 3.02Å; D753-R815 IonicContact OD1-NH2 2.78Å; D753-R815 PolarHBondContact OD1-NH2 3.28Å; W803-R815 HydrophobicContact CH2-CG 4.21Å; Q811-R815 WeakPolarHBondContact O-CG 3.5Å; Q811-R815 PolarHBondContact O-N 3.48Å; R815-S817 VanDerWaalsContact C-N 3.28Å; R815-S817 PolarHBondContact O-N 3Å; R815-G818 PolarHBondContact O-N 3.23Å |
| 816 | R | 71.2 | Confident | 78 | Confident | 102 Ų | 102 | 50 Ų | 50 | 39% | 0.385 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -72.1 | -18.9 | -179.2 | -73.2 | -177.1 | 56.6 | -179 | -6 | 114.1 | K812 L813 L814 E955 | K812-R816 HydrophobicContact CG-CG 4.36Å; K812-R816 WeakPolarHBondContact O-CB 3.33Å; K812-R816 WeakPolarHBondContact O-CG 3.5Å; K812-R816 PolarHBondContact O-N 3.01Å; L813-R816 PolarHBondContact O-N 3.41Å; L814-R816 VanDerWaalsContact C-N 3.33Å; L814-R816 PolarHBondContact O-N 3.17Å; R816-E955 VanDerWaalsContact CZ-CD 3.45Å; R816-E955 IonicContact CZ-OE1 2.7Å; R816-E955 VanDerWaalsContact CZ-OE1 3.26Å; R816-E955 IonicContact CZ-OE2 2.69Å; R816-E955 IonicContact NE-OE1 3.99Å; R816-E955 IonicContact NE-OE2 2.78Å; R816-E955 IonicContact NH1-OE1 3.97Å; R816-E955 IonicContact NH1-OE2 3.7Å; R816-E955 PolarHBondContact NH1-OE2 3.35Å; R816-E955 IonicContact NH2-OE1 2.79Å; R816-E955 PolarHBondContact NH2-OE1 2.78Å; R816-E955 IonicContact NH2-OE2 3.04Å; R816-E955 PolarHBondContact NH2-OE2 3.41Å |
| 817 | S | 74.3 | Confident | 78.1 | Confident | 38 Ų | 38 | 49.1 Ų | 49.1 | 27% | 0.266 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -72.7 | -32.5 | 175.6 | 76.2 | 0 | 0 | 0 | 0 | 112.9 | L813 L814 R815 F819 | L813-S817 PolarHBondContact O-N 3.39Å; L813-S817 VanDerWaalsContact O-N 3.08Å; L814-S817 WeakPolarHBondContact O-CB 3.45Å; L814-S817 PolarHBondContact O-N 3.42Å; L814-S817 PolarHBondContact O-OG 3.28Å; R815-S817 VanDerWaalsContact C-N 3.28Å; R815-S817 PolarHBondContact O-N 3Å; S817-F819 PolarHBondContact O-N 3.38Å; S817-F819 WeakPolarHBondContact OG-CB 3.22Å; S817-F819 PolarHBondContact OG-N 3Å; S817-F819 VanDerWaalsContact OG-N 3.17Å |
| 818 | G | 75.6 | Confident | 78.4 | Confident | 32 Ų | 32 | 47.4 Ų | 47.4 | 33% | 0.33 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 17.6 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | C747 R815 | C747-G818 VanDerWaalsContact SG-C 3.57Å; R815-G818 PolarHBondContact O-N 3.23Å |
| 819 | F | 80.9 | Confident | 79 | Confident | 100 Ų | 100 | 50.6 Ų | 50.6 | 44% | 0.439 | 25% | 0.251 | S | S | . | . | trans | -86.3 | 152.6 | -174.5 | -176 | -105.9 | 0 | 0 | 0 | 112.3 | S817 F821 | S817-F819 PolarHBondContact O-N 3.38Å; S817-F819 WeakPolarHBondContact OG-CB 3.22Å; S817-F819 PolarHBondContact OG-N 3Å; S817-F819 VanDerWaalsContact OG-N 3.17Å; F819-F821 HydrophobicContact CD1-CB 4.38Å; F819-F821 VanDerWaalsContact O-CD1 3.27Å; F819-F821 WeakPolarHBondContact O-CD1 3.49Å | ||
| 820 | L | 85.4 | Confident | 79.8 | Confident | 57 Ų | 57 | 53.1 Ų | 53.1 | 30% | 0.298 | 26% | 0.262 | S | S | . | . | trans | -92.4 | 114.8 | 178 | -74.6 | 167 | 0 | 0 | 0 | 111.2 | F746 C747 Y758 | F746-L820 WeakPolarHBondContact O-CA 3.03Å; C747-L820 HydrophobicContact CB-CD2 3.93Å; Y758-L820 HydrophobicContact CD1-CD1 4.48Å; Y758-L820 HydrophobicContact CD1-CD2 3.73Å; Y758-L820 HydrophobicContact CD2-CD2 3.29Å; Y758-L820 HydrophobicContact CE1-CD2 4.01Å; Y758-L820 HydrophobicContact CE2-CD2 3.58Å; Y758-L820 HydrophobicContact CG-CD2 3.4Å; Y758-L820 VanDerWaalsContact CG-CD2 3.4Å | ||
| 821 | F | 88.2 | Confident | 79.8 | Confident | 1 Ų | 1 | 49 Ų | 49 | 0% | 0.004 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -128.6 | 149.5 | -177.1 | 53.7 | -89.5 | 0 | 0 | 0 | 112.6 | F746 F799 W803 L814 F819 S823 P824 | F746-F821 HydrophobicContact CB-CE2 4.29Å; F746-F821 PolarHBondContact N-O 3Å; F746-F821 PolarHBondContact O-N 3.38Å; F799-F821 AromaticContact CE2-CE2 3.75Å; F799-F821 HydrophobicContact CE2-CE2 3.75Å; F799-F821 HydrophobicContact CE2-CZ 4.39Å; F799-F821 HydrophobicContact CZ-CE2 4.44Å; W803-F821 HydrophobicContact CZ3-CZ 4.11Å; L814-F821 HydrophobicContact CB-CE1 4.16Å; L814-F821 HydrophobicContact CB-CZ 4.19Å; L814-F821 HydrophobicContact CD1-CE2 4.32Å; L814-F821 HydrophobicContact CD1-CZ 4.12Å; L814-F821 HydrophobicContact CD2-CD1 4.05Å; L814-F821 HydrophobicContact CD2-CE1 3.88Å; L814-F821 HydrophobicContact CD2-CG 4.47Å; L814-F821 HydrophobicContact CD2-CZ 4.13Å; L814-F821 HydrophobicContact CG-CE1 4.46Å; L814-F821 HydrophobicContact CG-CZ 4.38Å; F819-F821 HydrophobicContact CD1-CB 4.38Å; F819-F821 VanDerWaalsContact O-CD1 3.27Å; F819-F821 WeakPolarHBondContact O-CD1 3.49Å; F821-S823 WeakPolarHBondContact CD2-O 3.39Å; F821-P824 HydrophobicContact CE2-CB 4.24Å; F821-P824 HydrophobicContact CE2-CG 4.12Å |
| 822 | H | 85.1 | Confident | 79.3 | Confident | 108 Ų | 108 | 50 Ų | 50 | 50% | 0.5 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -83.8 | -30.5 | 177.6 | -52.6 | 104.7 | 0 | 0 | 0 | 112.9 | K745 | K745-H822 WeakPolarHBondContact CE-NE2 3.27Å; K745-H822 VanDerWaalsContact CG-CD2 3.45Å; K745-H822 WeakPolarHBondContact CG-CD2 3.39Å |
| 823 | S | 85.9 | Confident | 78.9 | Confident | 13 Ų | 13 | 51.3 Ų | 51.3 | 9% | 0.091 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -138.3 | 137.1 | 178.2 | 138.4 | 0 | 0 | 0 | 0 | 108.5 | E802 F821 T825 L826 G827 | E802-S823 WeakPolarHBondContact OE2-CB 3.26Å; E802-S823 PolarHBondContact OE2-OG 3.38Å; F821-S823 WeakPolarHBondContact CD2-O 3.39Å; S823-T825 PolarHBondContact O-N 2.88Å; S823-T825 PolarHBondContact OG-N 3.02Å; S823-T825 VanDerWaalsContact OG-N 3.15Å; S823-L826 PolarHBondContact O-N 2.72Å; S823-L826 PolarHBondContact OG-N 2.97Å; S823-L826 VanDerWaalsContact OG-N 3.16Å; S823-G827 PolarHBondContact O-N 3.48Å |
| 824 | P | 87 | Confident | 78.3 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -55 | -38 | 174.3 | -24.5 | 33.2 | 0 | 0 | 0 | 112.6 | F799 E802 W803 L806 L814 F821 L828 | F799-P824 HydrophobicContact CD2-CG 3.88Å; F799-P824 HydrophobicContact CE2-CG 3.75Å; F799-P824 HydrophobicContact CG-CG 4.47Å; F799-P824 HydrophobicContact CZ-CG 4.17Å; E802-P824 HydrophobicContact CB-CB 4.48Å; E802-P824 HydrophobicContact CB-CG 4.01Å; W803-P824 HydrophobicContact CB-CG 4.2Å; W803-P824 HydrophobicContact CE3-CB 4.1Å; W803-P824 HydrophobicContact CE3-CG 4.05Å; L806-P824 HydrophobicContact CD1-CB 3.48Å; L806-P824 VanDerWaalsContact CD1-CB 3.48Å; L806-P824 HydrophobicContact CG-CB 4.43Å; L814-P824 HydrophobicContact CD1-CB 3.92Å; F821-P824 HydrophobicContact CE2-CB 4.24Å; F821-P824 HydrophobicContact CE2-CG 4.12Å; P824-L828 WeakPolarHBondContact O-CD1 3.36Å; P824-L828 WeakPolarHBondContact O-CG 3.48Å; P824-L828 PolarHBondContact O-N 3.45Å; P824-L828 VanDerWaalsContact O-N 3.16Å |
| 825 | T | 82.8 | Confident | 77.3 | Confident | 56 Ų | 56 | 58.1 Ų | 58.1 | 34% | 0.344 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.4 | -46.7 | 179.3 | -46.3 | 0 | 0 | 0 | 0 | 111.8 | E802 S823 L828 Q829 | E802-T825 WeakPolarHBondContact OE2-CB 3.23Å; E802-T825 PolarHBondContact OE2-N 3.41Å; E802-T825 PolarHBondContact OE2-OG1 3.13Å; S823-T825 PolarHBondContact O-N 2.88Å; S823-T825 PolarHBondContact OG-N 3.02Å; S823-T825 VanDerWaalsContact OG-N 3.15Å; T825-L828 PolarHBondContact O-N 3.3Å; T825-Q829 WeakPolarHBondContact O-CG 3.42Å; T825-Q829 PolarHBondContact O-N 2.73Å |
| 826 | L | 82.6 | Confident | 76.1 | Confident | 87 Ų | 87 | 67.7 Ų | 67.7 | 46% | 0.455 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -68.1 | -38.8 | 177.9 | -64 | -178.9 | 0 | 0 | 0 | 112.2 | S823 L828 Q829 Q830 | S823-L826 PolarHBondContact O-N 2.72Å; S823-L826 PolarHBondContact OG-N 2.97Å; S823-L826 VanDerWaalsContact OG-N 3.16Å; L826-L828 VanDerWaalsContact C-N 3.27Å; L826-L828 PolarHBondContact O-N 2.92Å; L826-Q829 PolarHBondContact O-N 2.89Å; L826-Q830 WeakPolarHBondContact O-CG 3.18Å; L826-Q830 PolarHBondContact O-N 3.36Å |
| 827 | G | 80.7 | Confident | 75.2 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.3 | -38.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S823 Q830 L831 | S823-G827 PolarHBondContact O-N 3.48Å; G827-Q830 PolarHBondContact O-N 2.98Å; G827-L831 VanDerWaalsContact O-CG 3.32Å; G827-L831 WeakPolarHBondContact O-CG 3.21Å; G827-L831 PolarHBondContact O-N 3.43Å |
| 828 | L | 78.9 | Confident | 74.7 | Confident | 25 Ų | 25 | 72.1 Ų | 72.1 | 13% | 0.131 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -68.8 | -40.4 | 174.7 | -72.7 | 163.4 | 0 | 0 | 0 | 113.2 | L806 K810 L813 L814 P824 T825 L826 Q830 L831 A832 | L806-L828 HydrophobicContact CD1-CD1 3.6Å; L806-L828 HydrophobicContact CD2-CD1 3.41Å; L806-L828 VanDerWaalsContact CD2-CD1 3.41Å; L806-L828 HydrophobicContact CG-CD1 4.12Å; K810-L828 HydrophobicContact CB-CD1 3.79Å; K810-L828 HydrophobicContact CB-CD2 4.02Å; K810-L828 HydrophobicContact CD-CD1 4.11Å; K810-L828 HydrophobicContact CG-CD1 4.17Å; K810-L828 HydrophobicContact CG-CD2 4.33Å; L813-L828 HydrophobicContact CB-CD2 4.36Å; L813-L828 HydrophobicContact CD2-CD2 4Å; L814-L828 HydrophobicContact CD1-CD1 4.28Å; L814-L828 HydrophobicContact CD1-CD2 4.39Å; L814-L828 HydrophobicContact CD1-CG 4.02Å; L814-L828 HydrophobicContact CD2-CD2 4.33Å; L814-L828 HydrophobicContact CD2-CG 4.12Å; L814-L828 HydrophobicContact CG-CD2 3.97Å; L814-L828 HydrophobicContact CG-CG 4.01Å; P824-L828 WeakPolarHBondContact O-CD1 3.36Å; P824-L828 WeakPolarHBondContact O-CG 3.48Å; P824-L828 PolarHBondContact O-N 3.45Å; P824-L828 VanDerWaalsContact O-N 3.16Å; T825-L828 PolarHBondContact O-N 3.3Å; L826-L828 VanDerWaalsContact C-N 3.27Å; L826-L828 PolarHBondContact O-N 2.92Å; L828-Q830 VanDerWaalsContact C-N 3.28Å; L828-Q830 PolarHBondContact O-N 2.87Å; L828-L831 PolarHBondContact O-N 3.48Å; L828-A832 WeakPolarHBondContact O-CB 3.44Å; L828-A832 PolarHBondContact O-N 3.24Å |
| 829 | Q | 79.1 | Confident | 74.6 | Confident | 118 Ų | 118 | 74.5 Ų | 74.5 | 55% | 0.551 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -61.4 | -40.1 | 174.8 | -70.2 | 173.6 | -5.9 | 0 | 0 | 111 | T825 L826 A832 A833 | T825-Q829 WeakPolarHBondContact O-CG 3.42Å; T825-Q829 PolarHBondContact O-N 2.73Å; L826-Q829 PolarHBondContact O-N 2.89Å; Q829-A832 PolarHBondContact O-N 2.78Å; Q829-A833 WeakPolarHBondContact O-CB 3.27Å; Q829-A833 PolarHBondContact O-N 3.5Å |
| 830 | Q | 79.7 | Confident | 74.6 | Confident | 90 Ų | 90 | 70.5 Ų | 70.5 | 42% | 0.421 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -67.1 | -38.8 | 174.4 | -69.5 | 172 | -14.3 | 0 | 0 | 112.4 | L826 G827 L828 A832 N834 | L826-Q830 WeakPolarHBondContact O-CG 3.18Å; L826-Q830 PolarHBondContact O-N 3.36Å; G827-Q830 PolarHBondContact O-N 2.98Å; L828-Q830 VanDerWaalsContact C-N 3.28Å; L828-Q830 PolarHBondContact O-N 2.87Å; Q830-A832 VanDerWaalsContact C-N 3.33Å; Q830-N834 WeakPolarHBondContact O-CB 3.37Å; Q830-N834 PolarHBondContact O-N 2.77Å; Q830-N834 VanDerWaalsContact O-N 3.14Å; Q830-N834 PolarHBondContact O-ND2 2.65Å |
| 831 | L | 75.1 | Confident | 74.6 | Confident | 25 Ų | 25 | 72.3 Ų | 72.3 | 13% | 0.131 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -69.4 | -27.8 | 173.4 | -71.3 | 172.6 | 0 | 0 | 0 | 113.3 | L813 L814 G827 L828 Q835 | L813-L831 HydrophobicContact CD2-CB 4.2Å; L813-L831 HydrophobicContact CD2-CD1 4.18Å; L813-L831 HydrophobicContact CG-CD1 4.21Å; L814-L831 HydrophobicContact CD2-CD1 3.92Å; G827-L831 VanDerWaalsContact O-CG 3.32Å; G827-L831 WeakPolarHBondContact O-CG 3.21Å; G827-L831 PolarHBondContact O-N 3.43Å; L828-L831 PolarHBondContact O-N 3.48Å; L831-Q835 WeakPolarHBondContact O-CG 3.49Å; L831-Q835 PolarHBondContact O-NE2 2.95Å; L831-Q835 VanDerWaalsContact O-NE2 3.09Å |
| 832 | A | 67.1 | Low | 74.3 | Confident | 58 Ų | 58 | 75.8 Ų | 75.8 | 48% | 0.479 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -76.5 | -44.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L828 Q829 Q830 N834 Q835 | L828-A832 WeakPolarHBondContact O-CB 3.44Å; L828-A832 PolarHBondContact O-N 3.24Å; Q829-A832 PolarHBondContact O-N 2.78Å; Q830-A832 VanDerWaalsContact C-N 3.33Å; A832-N834 PolarHBondContact O-N 2.86Å; A832-Q835 WeakPolarHBondContact O-CB 3.33Å; A832-Q835 PolarHBondContact O-N 2.9Å |
| 833 | A | 64.6 | Low | 74.1 | Confident | 87 Ų | 87 | 76.6 Ų | 76.6 | 72% | 0.719 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -61.6 | -32.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q829 Q835 | Q829-A833 WeakPolarHBondContact O-CB 3.27Å; Q829-A833 PolarHBondContact O-N 3.5Å; A833-Q835 VanDerWaalsContact C-N 3.27Å; A833-Q835 PolarHBondContact O-N 3.26Å |
| 834 | N | 60.1 | Low | 74 | Confident | 131 Ų | 131 | 79.1 Ų | 79.1 | 70% | 0.701 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -3.4 | 174.1 | -76.9 | -58.7 | 0 | 0 | 0 | 114.3 | Q830 A832 | Q830-N834 WeakPolarHBondContact O-CB 3.37Å; Q830-N834 PolarHBondContact O-N 2.77Å; Q830-N834 VanDerWaalsContact O-N 3.14Å; Q830-N834 PolarHBondContact O-ND2 2.65Å; A832-N834 PolarHBondContact O-N 2.86Å |
| 835 | Q | 58.8 | Low | 73.9 | Confident | 58 Ų | 58 | 81 Ų | 81 | 27% | 0.271 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -98 | 119.3 | 173.2 | -75 | 178 | 85.7 | 0 | 0 | 110.3 | L831 A832 A833 | L831-Q835 WeakPolarHBondContact O-CG 3.49Å; L831-Q835 PolarHBondContact O-NE2 2.95Å; L831-Q835 VanDerWaalsContact O-NE2 3.09Å; A832-Q835 WeakPolarHBondContact O-CB 3.33Å; A832-Q835 PolarHBondContact O-N 2.9Å; A833-Q835 VanDerWaalsContact C-N 3.27Å; A833-Q835 PolarHBondContact O-N 3.26Å |
| 836 | R | 54.1 | Low | 74 | Confident | 236 Ų | 236 | 80.4 Ų | 80.4 | 89% | 0.891 | 43% | 0.427 | S | S | * | . | trans | -61.8 | 130.9 | 174.3 | -67.7 | -176.9 | 178.7 | 180 | -0.6 | 109.7 | H838 | R836-H838 PolarHBondContact O-N 3.27Š| ||
| 837 | P | 53.8 | Low | 74.1 | Confident | 135 Ų | 135 | 81.1 Ų | 81.1 | 88% | 0.877 | 42% | 0.424 | S | S | * | . | trans | -65.5 | 101.3 | 178 | 26.3 | -33.9 | 0 | 0 | 0 | 110.2 | ||||
| 838 | H | 62.5 | Low | 74.3 | Confident | 98 Ų | 98 | 88.7 Ų | 88.7 | 45% | 0.454 | 46% | 0.459 | S | S | . | . | trans | -97.3 | 108 | -175 | -167.8 | 77.3 | 0 | 0 | 0 | 110.4 | R836 R960 | R836-H838 PolarHBondContact O-N 3.27Å; H838-R960 PolarHBondContact CD2-NH1 3.36Å; H838-R960 PolarHBondContact NE2-NH1 3.15Å | ||
| 839 | S | 75.3 | Confident | 74.5 | Confident | 82 Ų | 82 | 89.9 Ų | 89.9 | 57% | 0.573 | 47% | 0.465 | S | S | * | . | trans | -104.2 | 113.6 | 175.5 | 60.9 | 0 | 0 | 0 | 0 | 111.5 | G1041 | S839-G1041 VanDerWaalsContact CA-O 3.23Å; S839-G1041 WeakPolarHBondContact CA-O 3.34Å | ||
| 840 | S | 80.6 | Confident | 74.8 | Confident | 15 Ų | 15 | 84.6 Ų | 84.6 | 11% | 0.105 | 44% | 0.44 | C | S | . | . | B | Isolated β-bridge | trans | -130 | 143.2 | 177.2 | -176.9 | 0 | 0 | 0 | 0 | 111.9 | N842 G1041 G1042 G1043 Q1044 | S840-N842 PolarHBondContact OG-N 3.09Å; S840-G1041 PolarHBondContact N-O 3.46Å; S840-G1041 CarbonylContact O-C 3.56Å; S840-G1041 WeakPolarHBondContact O-CA 3.29Å; S840-G1042 PolarHBondContact O-N 2.99Å; S840-G1043 WeakPolarHBondContact O-CA 3.28Å; S840-G1043 PolarHBondContact O-N 3.17Å; S840-Q1044 VanDerWaalsContact CB-OE1 3.24Å; S840-Q1044 VanDerWaalsContact OG-CD 3.3Å; S840-Q1044 PolarHBondContact OG-OE1 2.95Å |
| 841 | T | 83.9 | Confident | 75.1 | Confident | 95 Ų | 95 | 81.2 Ų | 81.2 | 58% | 0.583 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -89.9 | -4.6 | 174.3 | 49.8 | 0 | 0 | 0 | 0 | 113.2 | V1038 | T841-V1038 WeakPolarHBondContact O-CG1 3.48Š|
| 842 | N | 81.9 | Confident | 75.7 | Confident | 75 Ų | 75 | 87.7 Ų | 87.7 | 40% | 0.401 | 46% | 0.455 | S | S | . | . | trans | -91.6 | 128.6 | 176.5 | -70.5 | -17.4 | 0 | 0 | 0 | 109.2 | S840 Y844 E849 G1043 Q1044 | S840-N842 PolarHBondContact OG-N 3.09Å; N842-Y844 PolarHBondContact O-N 3.27Å; N842-E849 PolarHBondContact ND2-OE1 2.87Å; N842-G1043 CarbonylContact O-C 3.57Å; N842-G1043 VanDerWaalsContact O-CA 3.23Å; N842-G1043 WeakPolarHBondContact O-CA 3.27Å; N842-Q1044 WeakPolarHBondContact O-CG 3.49Å; N842-Q1044 PolarHBondContact O-N 3.36Å; N842-Q1044 VanDerWaalsContact O-N 3.13Å | ||
| 843 | R | 80.9 | Confident | 76.6 | Confident | 125 Ų | 125 | 86.8 Ų | 86.8 | 47% | 0.472 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -63 | -43.1 | -177.3 | 179 | 177.6 | -80.6 | 170.9 | -9.5 | 111.7 | V1038 Q1044 | R843-V1038 HydrophobicContact CB-CG1 4.28Å; R843-V1038 HydrophobicContact CB-CG2 4.35Å; R843-V1038 HydrophobicContact CG-CG2 4.42Å; R843-Q1044 PolarHBondContact O-N 3.32Å |
| 844 | Y | 85.1 | Confident | 77.7 | Confident | 66 Ų | 66 | 83 Ų | 83 | 26% | 0.259 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -124.3 | 160.7 | -179.8 | -52.4 | -58.5 | 0 | 0 | 0 | 110.8 | N842 R960 Q963 M966 Q1044 | N842-Y844 PolarHBondContact O-N 3.27Å; Y844-R960 CarbonylContact C-O 3.3Å; Y844-R960 WeakPolarHBondContact CA-O 3Å; Y844-Q963 HydrophobicContact CE1-CB 4.27Å; Y844-Q963 WeakPolarHBondContact OH-CB 3.42Å; Y844-Q963 VanDerWaalsContact OH-CG 3.28Å; Y844-Q963 WeakPolarHBondContact OH-CG 3.28Å; Y844-Q963 PolarHBondContact OH-OE1 2.69Å; Y844-M966 HydrophobicContact CD1-CE 4.19Å; Y844-M966 HydrophobicContact CE1-CE 3.9Å; Y844-M966 HydrophobicContact CE1-SD 4.31Å; Y844-Q1044 PolarHBondContact O-NE2 3.19Å |
| 845 | L | 84.7 | Confident | 79.1 | Confident | 40 Ų | 40 | 80.2 Ų | 80.2 | 21% | 0.209 | 40% | 0.4 | C | S | . | . | trans | -81.5 | 114.9 | 171.9 | -179.5 | 64.8 | 0 | 0 | 0 | 109.7 | E849 V850 F957 R960 Q1044 | L845-E849 HydrophobicContact CD1-CB 3.86Å; L845-V850 HydrophobicContact CD1-CG2 4.11Å; L845-V850 HydrophobicContact CD2-CG2 3.82Å; L845-V850 HydrophobicContact CG-CG2 3.73Å; L845-F957 HydrophobicContact CD2-CD2 3.91Å; L845-F957 HydrophobicContact CD2-CE2 3.83Å; L845-R960 HydrophobicContact CB-CB 4.11Å; L845-R960 PolarHBondContact N-O 3.32Å; L845-Q1044 HydrophobicContact CB-CG 4.32Å | ||
| 846 | S | 84.8 | Confident | 80.5 | Confident | 42 Ų | 42 | 80.2 Ų | 80.2 | 29% | 0.294 | 41% | 0.407 | S | S | . | . | trans | -82.5 | 159.9 | -176.8 | 95.4 | 0 | 0 | 0 | 0 | 112.5 | E848 E849 V850 | S846-E848 PolarHBondContact O-N 2.84Å; S846-E848 WeakPolarHBondContact OG-CB 3.4Å; S846-E848 PolarHBondContact OG-N 3.39Å; S846-E849 WeakPolarHBondContact CB-OE2 3.42Å; S846-E849 PolarHBondContact N-OE2 3.1Å; S846-E849 PolarHBondContact O-N 2.97Å; S846-E849 PolarHBondContact OG-N 3.2Å; S846-E849 VanDerWaalsContact OG-N 3.07Å; S846-V850 WeakPolarHBondContact O-CG2 3.31Å; S846-V850 PolarHBondContact O-N 3.23Å | ||
| 847 | R | 84.6 | Confident | 82 | Confident | 103 Ų | 103 | 70.5 Ų | 70.5 | 39% | 0.389 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.2 | -30.6 | 173.7 | -60 | -169.1 | -164.5 | -178.3 | 7.4 | 111.8 | A851 S914 E915 Y918 | R847-A851 WeakPolarHBondContact O-CB 3.31Å; R847-A851 PolarHBondContact O-N 3.38Å; R847-S914 PolarHBondContact NH2-O 2.94Å; R847-E915 PolarHBondContact NH1-O 3.31Å; R847-Y918 HydrophobicContact CG-CE1 4.37Å |
| 848 | E | 84.3 | Confident | 83.6 | Confident | 158 Ų | 158 | 64.4 Ų | 64.4 | 74% | 0.738 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -72 | -41.3 | 178.9 | -60.7 | 167.5 | -170.7 | 0 | 0 | 111.9 | S846 V850 A851 K852 | S846-E848 PolarHBondContact O-N 2.84Å; S846-E848 WeakPolarHBondContact OG-CB 3.4Å; S846-E848 PolarHBondContact OG-N 3.39Å; E848-V850 VanDerWaalsContact C-N 3.34Å; E848-A851 PolarHBondContact O-N 3.04Å; E848-K852 VanDerWaalsContact O-CB 3.31Å; E848-K852 WeakPolarHBondContact O-CB 3.43Å; E848-K852 PolarHBondContact O-N 2.95Å |
| 849 | E | 84.3 | Confident | 84.8 | Confident | 51 Ų | 51 | 69.7 Ų | 69.7 | 24% | 0.238 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.5 | -43 | 174.9 | -71.3 | 171.5 | 121.5 | 0 | 0 | 110.8 | N842 L845 S846 K852 A853 Q1044 | N842-E849 PolarHBondContact ND2-OE1 2.87Å; L845-E849 HydrophobicContact CD1-CB 3.86Å; S846-E849 WeakPolarHBondContact CB-OE2 3.42Å; S846-E849 PolarHBondContact N-OE2 3.1Å; S846-E849 PolarHBondContact O-N 2.97Å; S846-E849 PolarHBondContact OG-N 3.2Å; S846-E849 VanDerWaalsContact OG-N 3.07Å; E849-K852 PolarHBondContact O-N 2.96Å; E849-A853 VanDerWaalsContact O-CB 3.3Å; E849-A853 WeakPolarHBondContact O-CB 3.38Å; E849-A853 PolarHBondContact O-N 3.4Å; E849-Q1044 PolarHBondContact OE1-NE2 3.32Å; E849-Q1044 PolarHBondContact OE2-NE2 2.82Å |
| 850 | V | 85.6 | Confident | 85.4 | Confident | 6 Ų | 6 | 71.3 Ų | 71.3 | 4% | 0.036 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.7 | -44.3 | 175 | 176.6 | 0 | 0 | 0 | 0 | 111.3 | L845 S846 E848 A853 S854 Y918 L931 F957 | L845-V850 HydrophobicContact CD1-CG2 4.11Å; L845-V850 HydrophobicContact CD2-CG2 3.82Å; L845-V850 HydrophobicContact CG-CG2 3.73Å; S846-V850 WeakPolarHBondContact O-CG2 3.31Å; S846-V850 PolarHBondContact O-N 3.23Å; E848-V850 VanDerWaalsContact C-N 3.34Å; V850-A853 PolarHBondContact O-N 2.81Å; V850-S854 PolarHBondContact O-N 3Å; V850-S854 PolarHBondContact O-OG 2.67Å; V850-Y918 HydrophobicContact CG1-CD1 4.24Å; V850-L931 HydrophobicContact CG1-CD2 3.87Å; V850-F957 HydrophobicContact CG1-CE2 4.26Å; V850-F957 HydrophobicContact CG2-CE2 3.63Å; V850-F957 HydrophobicContact CG2-CZ 3.92Å |
| 851 | A | 85.7 | Confident | 85.4 | Confident | 19 Ų | 19 | 73.8 Ų | 73.8 | 16% | 0.157 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | R847 E848 S854 L855 L919 | R847-A851 WeakPolarHBondContact O-CB 3.31Å; R847-A851 PolarHBondContact O-N 3.38Å; E848-A851 PolarHBondContact O-N 3.04Å; A851-S854 PolarHBondContact O-N 2.77Å; A851-L855 WeakPolarHBondContact O-CB 3.4Å; A851-L855 VanDerWaalsContact O-CG 3.28Å; A851-L855 WeakPolarHBondContact O-CG 3.31Å; A851-L855 PolarHBondContact O-N 3.44Å; A851-L919 HydrophobicContact CB-CB 4Å; A851-L919 HydrophobicContact CB-CD1 3.84Å |
| 852 | K | 87.3 | Confident | 85.2 | Confident | 161 Ų | 161 | 72.2 Ų | 72.2 | 70% | 0.7 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -63.6 | -42 | 176.5 | -175.1 | 179.7 | 179.2 | -177.8 | 0 | 111.8 | E848 E849 L855 S856 | E848-K852 VanDerWaalsContact O-CB 3.31Å; E848-K852 WeakPolarHBondContact O-CB 3.43Å; E848-K852 PolarHBondContact O-N 2.95Å; E849-K852 PolarHBondContact O-N 2.96Å; K852-L855 PolarHBondContact O-N 3.25Å; K852-S856 PolarHBondContact O-N 3.34Å |
| 853 | A | 85.4 | Confident | 85.2 | Confident | 39 Ų | 39 | 70.2 Ų | 70.2 | 32% | 0.322 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.1 | -45.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E849 V850 S856 K857 Q934 | E849-A853 VanDerWaalsContact O-CB 3.3Å; E849-A853 WeakPolarHBondContact O-CB 3.38Å; E849-A853 PolarHBondContact O-N 3.4Å; V850-A853 PolarHBondContact O-N 2.81Å; A853-S856 PolarHBondContact O-N 2.78Å; A853-K857 WeakPolarHBondContact O-CB 3.37Å; A853-K857 PolarHBondContact O-N 2.95Å; A853-Q934 PolarHBondContact O-NE2 3.24Å |
| 854 | S | 88.4 | Confident | 85.6 | Confident | 9 Ų | 9 | 65.1 Ų | 65.1 | 6% | 0.063 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.3 | -42.5 | 172.8 | -71.2 | 0 | 0 | 0 | 0 | 112.5 | V850 A851 S856 K857 A858 L919 A921 | V850-S854 PolarHBondContact O-N 3Å; V850-S854 PolarHBondContact O-OG 2.67Å; A851-S854 PolarHBondContact O-N 2.77Å; S854-S856 PolarHBondContact O-N 2.88Å; S854-K857 PolarHBondContact O-N 2.87Å; S854-A858 VanDerWaalsContact O-CB 3.29Å; S854-A858 WeakPolarHBondContact O-CB 3.42Å; S854-A858 PolarHBondContact O-N 3.17Å; S854-L919 WeakPolarHBondContact CB-O 3.12Å; S854-L919 PolarHBondContact OG-O 2.73Å; S854-A921 PolarHBondContact OG-N 3.45Å |
| 855 | L | 88.3 | Confident | 85.7 | Confident | 72 Ų | 72 | 64.6 Ų | 64.6 | 38% | 0.377 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -68.2 | -31.1 | 179.1 | -76.8 | 165.6 | 0 | 0 | 0 | 113.5 | A851 K852 R859 V865 | A851-L855 WeakPolarHBondContact O-CB 3.4Å; A851-L855 VanDerWaalsContact O-CG 3.28Å; A851-L855 WeakPolarHBondContact O-CG 3.31Å; A851-L855 PolarHBondContact O-N 3.44Å; K852-L855 PolarHBondContact O-N 3.25Å; L855-R859 WeakPolarHBondContact O-CD 3.35Å; L855-R859 VanDerWaalsContact O-CG 3.3Å; L855-R859 WeakPolarHBondContact O-CG 3.48Å; L855-V865 HydrophobicContact CD2-CG1 3.98Å; L855-V865 HydrophobicContact CD2-CG2 4.08Å; L855-V865 HydrophobicContact CG-CG1 4.45Å |
| 856 | S | 88.6 | Confident | 85.8 | Confident | 58 Ų | 58 | 65.8 Ų | 65.8 | 41% | 0.406 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -68.5 | -53.9 | 170.4 | -161.1 | 0 | 0 | 0 | 0 | 110.1 | K852 A853 S854 A858 R859 E860 | K852-S856 PolarHBondContact O-N 3.34Å; A853-S856 PolarHBondContact O-N 2.78Å; S854-S856 PolarHBondContact O-N 2.88Å; S856-A858 VanDerWaalsContact C-N 3.32Å; S856-A858 PolarHBondContact O-N 2.74Å; S856-R859 WeakPolarHBondContact O-CA 3.42Å; S856-R859 WeakPolarHBondContact O-CB 3.42Å; S856-R859 PolarHBondContact O-N 2.9Å; S856-E860 VanDerWaalsContact CB-OE1 3.31Å; S856-E860 WeakPolarHBondContact CB-OE1 3.41Å; S856-E860 WeakPolarHBondContact O-CG 3.12Å; S856-E860 PolarHBondContact O-N 3.1Å; S856-E860 PolarHBondContact OG-OE1 3.05Å |
| 857 | K | 86.9 | Confident | 85.9 | Confident | 32 Ų | 32 | 68.3 Ų | 68.3 | 14% | 0.139 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -61.9 | -37.5 | -174.2 | -169.5 | 56.9 | 168.1 | 154.3 | 0 | 113.5 | A853 S854 R859 E860 E861 A921 L929 Q934 | A853-K857 WeakPolarHBondContact O-CB 3.37Å; A853-K857 PolarHBondContact O-N 2.95Å; S854-K857 PolarHBondContact O-N 2.87Å; K857-R859 VanDerWaalsContact C-N 3.29Å; K857-R859 PolarHBondContact O-N 2.83Å; K857-E860 WeakPolarHBondContact CD-OE2 3.43Å; K857-E860 PolarHBondContact O-N 2.86Å; K857-E861 HydrophobicContact CD-CG 4.34Å; K857-E861 WeakPolarHBondContact CE-OE1 3.49Å; K857-E861 IonicContact NZ-OE1 3.7Å; K857-E861 PolarHBondContact NZ-OE1 3.23Å; K857-E861 PolarHBondContact O-N 2.92Å; K857-A921 HydrophobicContact CB-CB 4.41Å; K857-L929 HydrophobicContact CG-CD1 3.62Å; K857-Q934 HydrophobicContact CD-CB 4.34Å; K857-Q934 HydrophobicContact CG-CB 4.11Å; K857-Q934 HydrophobicContact CG-CG 4.31Å |
| 858 | A | 86.9 | Confident | 85.9 | Confident | 7 Ų | 7 | 63.4 Ų | 63.4 | 6% | 0.058 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.6 | -34.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S854 S856 G862 G863 G864 V865 A921 | S854-A858 VanDerWaalsContact O-CB 3.29Å; S854-A858 WeakPolarHBondContact O-CB 3.42Å; S854-A858 PolarHBondContact O-N 3.17Å; S856-A858 VanDerWaalsContact C-N 3.32Å; S856-A858 PolarHBondContact O-N 2.74Å; A858-G862 PolarHBondContact O-N 3.15Å; A858-G863 PolarHBondContact O-N 2.86Å; A858-G864 WeakPolarHBondContact CB-O 3.43Å; A858-V865 HydrophobicContact CB-CG1 3.72Å; A858-A921 HydrophobicContact CB-CB 4.13Å |
| 859 | R | 87.3 | Confident | 85.6 | Confident | 209 Ų | 209 | 59.4 Ų | 59.4 | 79% | 0.789 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -74.2 | -38.4 | 175.1 | -65.9 | 167.9 | 179.8 | -164.1 | -1.9 | 111.6 | L855 S856 K857 | L855-R859 WeakPolarHBondContact O-CD 3.35Å; L855-R859 VanDerWaalsContact O-CG 3.3Å; L855-R859 WeakPolarHBondContact O-CG 3.48Å; S856-R859 WeakPolarHBondContact O-CA 3.42Å; S856-R859 WeakPolarHBondContact O-CB 3.42Å; S856-R859 PolarHBondContact O-N 2.9Å; K857-R859 VanDerWaalsContact C-N 3.29Å; K857-R859 PolarHBondContact O-N 2.83Å |
| 860 | E | 87.1 | Confident | 84.8 | Confident | 115 Ų | 115 | 61.7 Ų | 61.7 | 54% | 0.537 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.6 | -39.3 | 178.9 | -67.6 | 155.1 | -140.9 | 0 | 0 | 112.6 | S856 K857 | S856-E860 VanDerWaalsContact CB-OE1 3.31Å; S856-E860 WeakPolarHBondContact CB-OE1 3.41Å; S856-E860 WeakPolarHBondContact O-CG 3.12Å; S856-E860 PolarHBondContact O-N 3.1Å; S856-E860 PolarHBondContact OG-OE1 3.05Å; K857-E860 WeakPolarHBondContact CD-OE2 3.43Å; K857-E860 PolarHBondContact O-N 2.86Å |
| 861 | E | 82.3 | Confident | 83.2 | Confident | 67 Ų | 67 | 68.5 Ų | 68.5 | 31% | 0.313 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | 10.3 | -179 | -62.1 | -167.9 | 169.9 | 0 | 0 | 114.2 | K857 G863 L929 | K857-E861 HydrophobicContact CD-CG 4.34Å; K857-E861 WeakPolarHBondContact CE-OE1 3.49Å; K857-E861 IonicContact NZ-OE1 3.7Å; K857-E861 PolarHBondContact NZ-OE1 3.23Å; K857-E861 PolarHBondContact O-N 2.92Å; E861-G863 PolarHBondContact O-N 2.99Å; E861-L929 WeakPolarHBondContact OE2-CD1 3.26Å |
| 862 | G | 78.5 | Confident | 81 | Confident | 63 Ų | 63 | 71.7 Ų | 71.7 | 65% | 0.649 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | 18.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | A858 | A858-G862 PolarHBondContact O-N 3.15Š|
| 863 | G | 82.8 | Confident | 78.9 | Confident | 32 Ų | 32 | 70.3 Ų | 70.3 | 33% | 0.33 | 38% | 0.378 | S | S | . | . | trans | -98.2 | -143.6 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | A858 E861 V922 | A858-G863 PolarHBondContact O-N 2.86Å; E861-G863 PolarHBondContact O-N 2.99Å; G863-V922 WeakPolarHBondContact CA-O 3.26Å | ||
| 864 | G | 88.4 | Confident | 76.6 | Confident | 18 Ų | 18 | 77.6 Ų | 77.6 | 19% | 0.186 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | -174.7 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | A858 A921 V922 | A858-G864 WeakPolarHBondContact CB-O 3.43Å; G864-A921 CarbonylContact O-C 3.56Å; G864-A921 WeakPolarHBondContact O-CA 3.45Å; G864-V922 PolarHBondContact N-O 3.15Å; G864-V922 PolarHBondContact O-N 3.09Å |
| 865 | V | 88.2 | Confident | 73.8 | Confident | 56 Ų | 56 | 83.4 Ų | 83.4 | 34% | 0.339 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 143.6 | 170.1 | -67.7 | 0 | 0 | 0 | 0 | 110.9 | L855 A858 L919 Q920 | L855-V865 HydrophobicContact CD2-CG1 3.98Å; L855-V865 HydrophobicContact CD2-CG2 4.08Å; L855-V865 HydrophobicContact CG-CG1 4.45Å; A858-V865 HydrophobicContact CB-CG1 3.72Å; V865-L919 HydrophobicContact CB-CD2 4.07Å; V865-L919 HydrophobicContact CG2-CD2 4.04Å; V865-Q920 CarbonylContact C-O 3.59Å; V865-Q920 WeakPolarHBondContact CA-O 3.46Å |
| 866 | R | 87.3 | Confident | 71.2 | Confident | 64 Ų | 64 | 89.9 Ų | 89.9 | 24% | 0.242 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 144.1 | 171.5 | 68.3 | -178.4 | -165.9 | 171.8 | 7.2 | 110 | V868 Q920 V922 P928 A943 T946 | R866-V868 HydrophobicContact CG-CG2 4.06Å; R866-Q920 HydrophobicContact CG-CB 4.15Å; R866-Q920 VanDerWaalsContact CZ-OE1 3.29Å; R866-Q920 PolarHBondContact N-O 3.27Å; R866-Q920 PolarHBondContact O-N 3.18Å; R866-V922 HydrophobicContact CG-CG1 4.1Å; R866-P928 VanDerWaalsContact CZ-CB 3.45Å; R866-A943 PolarHBondContact NH2-O 3.05Å; R866-T946 PolarHBondContact NH2-O 3.04Å; R866-T946 PolarHBondContact NH2-OG1 2.74Å |
| 867 | V | 86.3 | Confident | 68.5 | Low | 95 Ų | 95 | 98.8 Ų | 98.8 | 58% | 0.576 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 131.3 | 169.3 | -177.6 | 0 | 0 | 0 | 0 | 108.3 | T869 L919 | V867-T869 HydrophobicContact CG1-CG2 4.3Å; V867-L919 HydrophobicContact CG2-CD2 3.85Å; V867-L919 HydrophobicContact CG2-CG 4.41Å |
| 868 | V | 83.6 | Confident | 65.9 | Low | 0 Ų | 0 | 109 Ų | 109 | 0% | 0 | 53% | 0.526 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 103.6 | 179.8 | -177.7 | 0 | 0 | 0 | 0 | 108.9 | R866 S917 Y918 Q920 A943 W944 R947 | R866-V868 HydrophobicContact CG-CG2 4.06Å; V868-S917 WeakPolarHBondContact O-CA 3.39Å; V868-Y918 PolarHBondContact N-O 3.23Å; V868-Y918 PolarHBondContact O-N 3.49Å; V868-Q920 HydrophobicContact CG2-CB 3.9Å; V868-A943 HydrophobicContact CG1-CB 4.42Å; V868-A943 WeakPolarHBondContact CG1-O 3.1Å; V868-W944 HydrophobicContact CG1-CB 4.44Å; V868-W944 HydrophobicContact CG1-CE3 3.84Å; V868-R947 HydrophobicContact CB-CG 4.38Å; V868-R947 HydrophobicContact CG1-CG 3.72Å; V868-R947 HydrophobicContact CG2-CG 4.48Å |
| 869 | T | 79.3 | Confident | 63.3 | Low | 75 Ų | 75 | 115.1 Ų | 115.1 | 46% | 0.46 | 57% | 0.568 | S | S | . | * | trans | -97.3 | 158.6 | 174.1 | 46 | 0 | 0 | 0 | 0 | 111.1 | V867 W944 | V867-T869 HydrophobicContact CG1-CG2 4.3Å; T869-W944 VanDerWaalsContact C-CE3 3.49Å; T869-W944 VanDerWaalsContact O-CE3 3.32Å | ||
| 870 | K | 66.9 | Low | 60.4 | Low | 98 Ų | 98 | 108.8 Ų | 108.8 | 43% | 0.426 | 57% | 0.568 | S | S | . | * | trans | -91.9 | 102.1 | 173.4 | -175 | -168 | 174.1 | -163.2 | 0 | 108.9 | N872 W944 | K870-N872 PolarHBondContact O-N 3.23Å; K870-W944 HydrophobicContact CB-CD2 4.04Å; K870-W944 HydrophobicContact CB-CE3 3.86Å; K870-W944 HydrophobicContact CB-CH2 3.89Å; K870-W944 HydrophobicContact CB-CZ2 4.03Å; K870-W944 HydrophobicContact CB-CZ3 3.81Å; K870-W944 HydrophobicContact CD-CZ2 4.32Å; K870-W944 HydrophobicContact CG-CD2 4.27Å; K870-W944 HydrophobicContact CG-CH2 4.47Å; K870-W944 HydrophobicContact CG-CZ2 4.11Å | ||
| 871 | E | 52.6 | Low | 57.6 | Low | 149 Ų | 149 | 111.2 Ų | 111.2 | 70% | 0.696 | 58% | 0.584 | S | S | * | * | trans | -61.9 | 109.1 | -176 | -66.1 | -167 | 154.7 | 0 | 0 | 113.1 | F873 | E871-F873 PolarHBondContact O-N 3.24Š| ||
| 872 | N | 39.8 | Very low | 55.3 | Low | 86 Ų | 86 | 113.6 Ų | 113.6 | 46% | 0.46 | 61% | 0.606 | S | S | . | * | trans | -85.8 | 100.8 | 174.4 | -94.5 | -23.5 | 0 | 0 | 0 | 110.9 | K870 F874 E915 | K870-N872 PolarHBondContact O-N 3.23Å; N872-F874 PolarHBondContact O-N 3Å; N872-E915 PolarHBondContact ND2-OE1 3.19Å | ||
| 873 | F | 41.8 | Very low | 53 | Low | 132 Ų | 132 | 119.2 Ų | 119.2 | 58% | 0.579 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | 12.1 | -176.4 | -93.9 | -75.5 | 0 | 0 | 0 | 116.8 | R139 E871 | R139-F873 VanDerWaalsContact NH1-CD1 3.28Å; E871-F873 PolarHBondContact O-N 3.24Å |
| 874 | F | 36.9 | Very low | 50.2 | Low | 193 Ų | 193 | 124.3 Ų | 124.3 | 85% | 0.846 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | -10 | -171.3 | -89.7 | -83.2 | 0 | 0 | 0 | 116 | N872 | N872-F874 PolarHBondContact O-N 3Š|
| 875 | T | 30.6 | Very low | 47.4 | Very low | 130 Ų | 130 | 129 Ų | 129 | 80% | 0.798 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -113.4 | 29.3 | -173.8 | 46.7 | 0 | 0 | 0 | 0 | 115.3 | ||
| 876 | K | 32.7 | Very low | 44.6 | Very low | 209 Ų | 209 | 132.6 Ų | 132.6 | 91% | 0.909 | 69% | 0.692 | S | S | * | * | trans | -125.7 | 72.8 | 164.9 | -91.9 | -173.2 | 174.6 | 177.6 | 0 | 113.3 | ||||
| 877 | R | 33.7 | Very low | 41.7 | Very low | 244 Ų | 244 | 134.4 Ų | 134.4 | 92% | 0.921 | 72% | 0.72 | S | S | * | * | trans | -142.3 | 75 | 161.7 | -94.3 | -165.5 | 169 | -164.2 | -3.9 | 112.1 | ||||
| 878 | R | 30.9 | Very low | 39 | Very low | 248 Ų | 248 | 134.5 Ų | 134.5 | 94% | 0.936 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -165.1 | 133.7 | 153 | -108.6 | 166.7 | -171.8 | -166.9 | 0.9 | 109.7 | ||
| 879 | S | 33 | Very low | 36.4 | Very low | 135 Ų | 135 | 139.6 Ų | 139.6 | 94% | 0.944 | 77% | 0.773 | S | S | * | * | trans | 40.7 | 125.7 | 167.7 | -148.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 880 | G | 26.9 | Very low | 33.9 | Very low | 75 Ų | 75 | 147.4 Ų | 147.4 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | 166 | 124.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 881 | N | 26.7 | Very low | 32 | Very low | 166 Ų | 166 | 149.2 Ų | 149.2 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | trans | -83.9 | 146.4 | -175.8 | -140.7 | 16.3 | 0 | 0 | 0 | 111.4 | Q883 | N881-Q883 PolarHBondContact O-N 2.9Š| ||
| 882 | P | 33.9 | Very low | 30.8 | Very low | 117 Ų | 117 | 148 Ų | 148 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | trans | -96.8 | 76.7 | -164.5 | 37.4 | -35.1 | 0 | 0 | 0 | 114.4 | ||||
| 883 | Q | 30.2 | Very low | 30.2 | Very low | 182 Ų | 182 | 153.3 Ų | 153.3 | 85% | 0.85 | 83% | 0.829 | S | S | * | * | trans | -143.4 | 84.4 | 169.6 | -73.9 | -167.1 | -13.2 | 0 | 0 | 113.8 | N881 | N881-Q883 PolarHBondContact O-N 2.9Š| ||
| 884 | T | 25.4 | Very low | 29.3 | Very low | 139 Ų | 139 | 152 Ų | 152 | 85% | 0.853 | 84% | 0.836 | S | S | * | * | trans | 176.8 | 146.3 | 144.2 | 19.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 885 | P | 28.9 | Very low | 29 | Very low | 116 Ų | 116 | 150.2 Ų | 150.2 | 75% | 0.753 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 143.5 | 171 | 33 | -33.2 | 0 | 0 | 0 | 111.5 | ||
| 886 | P | 30.1 | Very low | 28.7 | Very low | 132 Ų | 132 | 150 Ų | 150 | 86% | 0.857 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 132.1 | 177.6 | 30.3 | -33.5 | 0 | 0 | 0 | 112 | ||
| 887 | A | 26 | Very low | 28.2 | Very low | 102 Ų | 102 | 148.1 Ų | 148.1 | 84% | 0.843 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 171.1 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 888 | A | 29.1 | Very low | 28.1 | Very low | 96 Ų | 96 | 142 Ų | 142 | 79% | 0.793 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 158.1 | -169.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | R890 | A888-R890 PolarHBondContact O-N 3.32Š|
| 889 | A | 30.1 | Very low | 27.7 | Very low | 107 Ų | 107 | 140 Ų | 140 | 88% | 0.884 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 129.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L891 | A889-L891 PolarHBondContact O-N 2.94Š|
| 890 | R | 26.7 | Very low | 27.4 | Very low | 240 Ų | 240 | 140.4 Ų | 140.4 | 91% | 0.906 | 81% | 0.811 | S | S | * | * | trans | -82 | 114.9 | 175.5 | -79.3 | -177.2 | 168.1 | 178.7 | -4.2 | 111.4 | A888 V892 | A888-R890 PolarHBondContact O-N 3.32Å; R890-V892 PolarHBondContact O-N 3.12Å | ||
| 891 | L | 26.1 | Very low | 27.3 | Very low | 135 Ų | 135 | 144.9 Ų | 144.9 | 71% | 0.707 | 82% | 0.818 | S | S | * | * | trans | -71.7 | 111.2 | 165.8 | -170.9 | 78.4 | 0 | 0 | 0 | 109.3 | A889 K893 | A889-L891 PolarHBondContact O-N 2.94Å; L891-K893 PolarHBondContact O-N 3.3Å | ||
| 892 | V | 26.6 | Very low | 27.4 | Very low | 125 Ų | 125 | 145.1 Ų | 145.1 | 76% | 0.758 | 81% | 0.813 | S | S | * | * | trans | -86 | 96.7 | -179.4 | -177.7 | 0 | 0 | 0 | 0 | 110.3 | R890 | R890-V892 PolarHBondContact O-N 3.12Š| ||
| 893 | K | 27 | Very low | 27 | Very low | 196 Ų | 196 | 149.2 Ų | 149.2 | 85% | 0.852 | 82% | 0.822 | S | S | * | * | trans | -81.6 | 119.6 | 157.6 | -77.2 | -173.9 | 175.6 | -179 | 0 | 108.6 | L891 | L891-K893 PolarHBondContact O-N 3.3Š| ||
| 894 | S | 24.9 | Very low | 26.7 | Very low | 104 Ų | 104 | 146 Ų | 146 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | trans | -141.6 | 126.4 | 169.3 | -176.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 895 | I | 29.6 | Very low | 26.5 | Very low | 156 Ų | 156 | 145.7 Ų | 145.7 | 80% | 0.8 | 82% | 0.822 | S | S | * | * | trans | -117.1 | 128.3 | 173.3 | -62.9 | 170.2 | 0 | 0 | 0 | 105.8 | ||||
| 896 | C | 23.6 | Very low | 26.3 | Very low | 125 Ų | 125 | 150.2 Ų | 150.2 | 85% | 0.845 | 83% | 0.83 | S | S | * | * | trans | -152.2 | 142.9 | 163.8 | -128.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 897 | H | 23.6 | Very low | 26.1 | Very low | 171 Ų | 171 | 148.4 Ų | 148.4 | 79% | 0.792 | 83% | 0.826 | S | S | * | * | trans | -88.6 | 158.4 | 177.3 | -84.9 | -98.1 | 0 | 0 | 0 | 111.3 | ||||
| 898 | P | 30.3 | Very low | 26 | Very low | 116 Ų | 116 | 152.6 Ų | 152.6 | 75% | 0.753 | 83% | 0.828 | S | S | * | * | trans | -77 | 142.7 | -178.3 | 31.6 | -35.2 | 0 | 0 | 0 | 112.4 | ||||
| 899 | K | 22.2 | Very low | 26 | Very low | 204 Ų | 204 | 156.2 Ų | 156.2 | 89% | 0.887 | 83% | 0.834 | S | S | * | * | trans | -128 | 148.2 | 149.4 | -82.6 | -168.4 | 172.2 | -174.2 | 0 | 108.7 | ||||
| 900 | L | 27.5 | Very low | 25.7 | Very low | 145 Ų | 145 | 159.7 Ų | 159.7 | 76% | 0.759 | 83% | 0.832 | S | S | * | * | trans | -71.1 | 149.8 | 168.7 | -73.1 | 68.9 | 0 | 0 | 0 | 108.5 | ||||
| 901 | D | 24 | Very low | 25.7 | Very low | 169 Ų | 169 | 157.3 Ų | 157.3 | 90% | 0.904 | 83% | 0.831 | S | S | * | * | -145.4 | 154.3 | 123.4 | -113.7 | -39.3 | 0 | 0 | 0 | 110.3 | |||||
| 902 | Q | 28.8 | Very low | 25.9 | Very low | 170 Ų | 170 | 156.1 Ų | 156.1 | 79% | 0.794 | 83% | 0.832 | S | S | * | * | trans | -106.6 | 122.1 | -177.9 | -68.7 | -178.9 | -8.4 | 0 | 0 | 110.6 | ||||
| 903 | Q | 25.3 | Very low | 26.2 | Very low | 204 Ų | 204 | 156 Ų | 156 | 95% | 0.953 | 84% | 0.836 | S | S | * | * | trans | -150.7 | 134.1 | 154 | -115.2 | 162.9 | 26.2 | 0 | 0 | 111.4 | ||||
| 904 | S | 24.7 | Very low | 27 | Very low | 114 Ų | 114 | 150.8 Ų | 150.8 | 80% | 0.797 | 83% | 0.825 | S | S | * | * | trans | -99.6 | 129.9 | -173.6 | 57.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 905 | C | 22.2 | Very low | 28.5 | Very low | 133 Ų | 133 | 150.5 Ų | 150.5 | 90% | 0.899 | 81% | 0.812 | S | S | * | * | trans | -125.2 | 156.7 | 155 | -91.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 906 | K | 23.5 | Very low | 30 | Very low | 210 Ų | 210 | 145.1 Ų | 145.1 | 91% | 0.913 | 79% | 0.787 | S | S | * | * | trans | -81.8 | 157.5 | -165.4 | -63.9 | 174.2 | -177.6 | 173.6 | 0 | 111.9 | ||||
| 907 | A | 25.9 | Very low | 32.7 | Very low | 95 Ų | 95 | 141.6 Ų | 141.6 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | trans | -86.7 | 141.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 908 | E | 23.4 | Very low | 35.6 | Very low | 190 Ų | 190 | 135.4 Ų | 135.4 | 89% | 0.888 | 73% | 0.734 | S | S | * | * | trans | -130.6 | 135.9 | 157.9 | -65.6 | -171.2 | 151.2 | 0 | 0 | 107.4 | E910 | E908-E910 PolarHBondContact O-N 3.01Å; E908-E910 VanDerWaalsContact O-N 3.15Å | ||
| 909 | D | 29.2 | Very low | 38.4 | Very low | 171 Ų | 171 | 132.3 Ų | 132.3 | 91% | 0.914 | 71% | 0.711 | S | S | * | * | trans | -84.7 | 81.2 | -170.3 | -95.2 | -55.8 | 0 | 0 | 0 | 112.3 | ||||
| 910 | E | 24.3 | Very low | 41.6 | Very low | 181 Ų | 181 | 122.6 Ų | 122.6 | 85% | 0.846 | 67% | 0.669 | S | S | * | * | trans | -97.1 | 119.2 | 157.8 | -73.2 | -154.6 | 132 | 0 | 0 | 110.3 | E908 P912 | E908-E910 PolarHBondContact O-N 3.01Å; E908-E910 VanDerWaalsContact O-N 3.15Å; E910-P912 WeakPolarHBondContact O-CD 3.37Å | ||
| 911 | Q | 27.2 | Very low | 44.5 | Very low | 190 Ų | 190 | 115.8 Ų | 115.8 | 89% | 0.888 | 63% | 0.633 | S | S | * | * | trans | -79.2 | 112.9 | 176.1 | -71.8 | -169.3 | -5.9 | 0 | 0 | 111.8 | ||||
| 912 | P | 29.1 | Very low | 47.6 | Very low | 110 Ų | 110 | 108.6 Ų | 108.6 | 71% | 0.714 | 60% | 0.595 | S | S | * | * | trans | -81.4 | 135.3 | 171.3 | -4.3 | 25.4 | 0 | 0 | 0 | 109.1 | E910 S914 | E910-P912 WeakPolarHBondContact O-CD 3.37Å; P912-S914 PolarHBondContact O-N 3.43Å | ||
| 913 | S | 34.9 | Very low | 50.4 | Low | 121 Ų | 121 | 102 Ų | 102 | 85% | 0.846 | 57% | 0.566 | S | S | * | * | trans | -72 | 70.8 | 179.3 | 45.7 | 0 | 0 | 0 | 0 | 112.4 | E915 | S913-E915 PolarHBondContact O-N 2.93Š| ||
| 914 | S | 42.4 | Very low | 53.2 | Low | 88 Ų | 88 | 96.1 Ų | 96.1 | 62% | 0.615 | 55% | 0.547 | S | S | * | . | trans | -66.3 | 100.2 | -172.4 | 61.8 | 0 | 0 | 0 | 0 | 113.6 | R847 P912 | R847-S914 PolarHBondContact NH2-O 2.94Å; P912-S914 PolarHBondContact O-N 3.43Å | ||
| 915 | E | 56.2 | Low | 56 | Low | 97 Ų | 97 | 98.2 Ų | 98.2 | 45% | 0.453 | 54% | 0.544 | S | S | . | . | trans | -49.7 | 147.7 | 173.9 | -66 | -171.3 | 174.6 | 0 | 0 | 111.8 | R847 N872 S913 S917 | R847-E915 PolarHBondContact NH1-O 3.31Å; N872-E915 PolarHBondContact ND2-OE1 3.19Å; S913-E915 PolarHBondContact O-N 2.93Å; E915-S917 PolarHBondContact O-N 2.95Å | ||
| 916 | P | 61.9 | Low | 58.7 | Low | 44 Ų | 44 | 94 Ų | 94 | 29% | 0.286 | 52% | 0.524 | S | S | . | . | trans | -73.6 | 88.1 | -178.7 | 30.5 | -35.2 | 0 | 0 | 0 | 111.4 | Y918 W944 | P916-Y918 HydrophobicContact CB-CE2 4.04Å; P916-W944 HydrophobicContact CB-CH2 4.24Å; P916-W944 HydrophobicContact CG-CH2 3.98Å; P916-W944 WeakPolarHBondContact O-CH2 3.1Å; P916-W944 WeakPolarHBondContact O-CZ3 3.39Å | ||
| 917 | S | 79.4 | Confident | 61.6 | Low | 51 Ų | 51 | 85.9 Ų | 85.9 | 36% | 0.357 | 49% | 0.491 | S | S | . | . | trans | -85.7 | 144.2 | 163.2 | 57.1 | 0 | 0 | 0 | 0 | 111.1 | V868 E915 | V868-S917 WeakPolarHBondContact O-CA 3.39Å; E915-S917 PolarHBondContact O-N 2.95Å | ||
| 918 | Y | 85.8 | Confident | 64.6 | Low | 40 Ų | 40 | 81.5 Ų | 81.5 | 16% | 0.157 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 141.6 | 174.8 | -66.2 | -82.3 | 0 | 0 | 0 | 110.8 | R847 V850 V868 P916 L931 W944 F957 | R847-Y918 HydrophobicContact CG-CE1 4.37Å; V850-Y918 HydrophobicContact CG1-CD1 4.24Å; V868-Y918 PolarHBondContact N-O 3.23Å; V868-Y918 PolarHBondContact O-N 3.49Å; P916-Y918 HydrophobicContact CB-CE2 4.04Å; Y918-L931 HydrophobicContact CD1-CD1 4.46Å; Y918-L931 HydrophobicContact CG-CD1 4.1Å; Y918-W944 HydrophobicContact CD2-CH2 4.29Å; Y918-W944 HydrophobicContact CD2-CZ3 4.14Å; Y918-W944 HydrophobicContact CE2-CH2 4.1Å; Y918-W944 HydrophobicContact CE2-CZ3 4.41Å; Y918-F957 HydrophobicContact CD1-CZ 4.2Å; Y918-F957 HydrophobicContact CE1-CE1 4.06Å; Y918-F957 AromaticContact CE1-CZ 3.69Å; Y918-F957 HydrophobicContact CE1-CZ 3.69Å |
| 919 | L | 87.6 | Confident | 67.7 | Low | 52 Ų | 52 | 72.8 Ų | 72.8 | 27% | 0.272 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 123.7 | 166.5 | -90.1 | 161.6 | 0 | 0 | 0 | 109.3 | A851 S854 V865 V867 L931 | A851-L919 HydrophobicContact CB-CB 4Å; A851-L919 HydrophobicContact CB-CD1 3.84Å; S854-L919 WeakPolarHBondContact CB-O 3.12Å; S854-L919 PolarHBondContact OG-O 2.73Å; V865-L919 HydrophobicContact CB-CD2 4.07Å; V865-L919 HydrophobicContact CG2-CD2 4.04Å; V867-L919 HydrophobicContact CG2-CD2 3.85Å; V867-L919 HydrophobicContact CG2-CG 4.41Å; L919-L931 WeakPolarHBondContact O-CD2 3.42Å |
| 920 | Q | 90.1 | Very high | 70.4 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 134.4 | 179.8 | -168.2 | -176.9 | 9.2 | 0 | 0 | 109.7 | V865 R866 V868 L929 L931 T946 | V865-Q920 CarbonylContact C-O 3.59Å; V865-Q920 WeakPolarHBondContact CA-O 3.46Å; R866-Q920 HydrophobicContact CG-CB 4.15Å; R866-Q920 VanDerWaalsContact CZ-OE1 3.29Å; R866-Q920 PolarHBondContact N-O 3.27Å; R866-Q920 PolarHBondContact O-N 3.18Å; V868-Q920 HydrophobicContact CG2-CB 3.9Å; Q920-L929 WeakPolarHBondContact CG-O 3.44Å; Q920-L929 PolarHBondContact NE2-O 3.2Å; Q920-L931 HydrophobicContact CB-CD2 3.82Å; Q920-L931 HydrophobicContact CG-CD2 3.76Å; Q920-L931 HydrophobicContact CG-CG 4.22Å; Q920-T946 PolarHBondContact NE2-O 2.87Å |
| 921 | A | 89.3 | Confident | 73.4 | Confident | 2 Ų | 2 | 56.8 Ų | 56.8 | 2% | 0.017 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 151.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | S854 K857 A858 G864 L929 | S854-A921 PolarHBondContact OG-N 3.45Å; K857-A921 HydrophobicContact CB-CB 4.41Å; A858-A921 HydrophobicContact CB-CB 4.13Å; G864-A921 CarbonylContact O-C 3.56Å; G864-A921 WeakPolarHBondContact O-CA 3.45Å; A921-L929 HydrophobicContact CB-CB 4.17Å; A921-L929 HydrophobicContact CB-CD1 3.82Å; A921-L929 HydrophobicContact CB-CG 4.27Å; A921-L929 PolarHBondContact O-N 3.36Å |
| 922 | V | 89.1 | Confident | 76.1 | Confident | 18 Ų | 18 | 49.7 Ų | 49.7 | 11% | 0.109 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 147.5 | 162.4 | -56.3 | 0 | 0 | 0 | 0 | 108.2 | G863 G864 R866 V927 P928 | G863-V922 WeakPolarHBondContact CA-O 3.26Å; G864-V922 PolarHBondContact N-O 3.15Å; G864-V922 PolarHBondContact O-N 3.09Å; R866-V922 HydrophobicContact CG-CG1 4.1Å; V922-V927 CarbonylContact C-O 3.55Å; V922-V927 VanDerWaalsContact CA-O 3.25Å; V922-V927 WeakPolarHBondContact CA-O 3.23Å; V922-P928 HydrophobicContact CG1-CB 4.4Å |
| 923 | D | 87.3 | Confident | 78.7 | Confident | 32 Ų | 32 | 46.7 Ų | 46.7 | 17% | 0.171 | 29% | 0.287 | C | S | . | . | trans | -72.9 | -175.6 | 175.6 | 73.7 | 2.7 | 0 | 0 | 0 | 112.4 | Q925 G926 V927 L929 | D923-Q925 PolarHBondContact O-N 3.46Å; D923-Q925 VanDerWaalsContact OD1-C 3.3Å; D923-Q925 VanDerWaalsContact OD1-CA 3.3Å; D923-Q925 WeakPolarHBondContact OD1-CA 3.37Å; D923-Q925 WeakPolarHBondContact OD1-CB 2.79Å; D923-Q925 PolarHBondContact OD1-N 2.84Å; D923-G926 PolarHBondContact O-N 3.42Å; D923-G926 VanDerWaalsContact O-N 3.14Å; D923-G926 PolarHBondContact OD1-N 3.22Å; D923-V927 PolarHBondContact N-O 2.97Å; D923-V927 PolarHBondContact OD1-N 2.69Å; D923-L929 HydrophobicContact CB-CD2 4.34Å | ||
| 924 | S | 84.7 | Confident | 81.1 | Confident | 80 Ų | 80 | 44 Ų | 44 | 56% | 0.559 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -15.6 | 176.6 | 61.8 | 0 | 0 | 0 | 0 | 114.6 | ||
| 925 | Q | 82.4 | Confident | 83.1 | Confident | 157 Ų | 157 | 45.6 Ų | 45.6 | 73% | 0.734 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | -2.1 | 175.5 | -54 | -54.6 | -60.4 | 0 | 0 | 112.5 | D923 V927 | D923-Q925 PolarHBondContact O-N 3.46Å; D923-Q925 VanDerWaalsContact OD1-C 3.3Å; D923-Q925 VanDerWaalsContact OD1-CA 3.3Å; D923-Q925 WeakPolarHBondContact OD1-CA 3.37Å; D923-Q925 WeakPolarHBondContact OD1-CB 2.79Å; D923-Q925 PolarHBondContact OD1-N 2.84Å; Q925-V927 HydrophobicContact CB-CG2 4.28Å |
| 926 | G | 80 | Confident | 84.5 | Confident | 46 Ų | 46 | 43.7 Ų | 43.7 | 47% | 0.474 | 26% | 0.26 | S | S | . | . | trans | 82.8 | 8.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | D923 | D923-G926 PolarHBondContact O-N 3.42Å; D923-G926 VanDerWaalsContact O-N 3.14Å; D923-G926 PolarHBondContact OD1-N 3.22Å | ||
| 927 | V | 84.4 | Confident | 85.5 | Confident | 38 Ų | 38 | 41.9 Ų | 41.9 | 23% | 0.23 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -72.6 | 128.1 | 175.7 | -174.5 | 0 | 0 | 0 | 0 | 109 | V922 D923 Q925 A936 T939 | V922-V927 CarbonylContact C-O 3.55Å; V922-V927 VanDerWaalsContact CA-O 3.25Å; V922-V927 WeakPolarHBondContact CA-O 3.23Å; D923-V927 PolarHBondContact N-O 2.97Å; D923-V927 PolarHBondContact OD1-N 2.69Å; Q925-V927 HydrophobicContact CB-CG2 4.28Å; V927-A936 HydrophobicContact CG1-CB 3.95Å; V927-T939 HydrophobicContact CG1-CG2 4.2Å; V927-T939 HydrophobicContact CG2-CG2 4.5Å |
| 928 | P | 87.6 | Confident | 85.2 | Confident | 4 Ų | 4 | 42 Ų | 42 | 3% | 0.026 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | -73.3 | 138.3 | -177.5 | 27.1 | -31.6 | 0 | 0 | 0 | 112.7 | R866 V922 C937 | R866-P928 VanDerWaalsContact CZ-CB 3.45Å; V922-P928 HydrophobicContact CG1-CB 4.4Å; P928-C937 HydrophobicContact CG-CB 4.21Å; P928-C937 VanDerWaalsContact O-CB 3.26Å; P928-C937 WeakPolarHBondContact O-CB 3.41Å; P928-C937 PolarHBondContact O-N 3.22Å |
| 929 | L | 88.3 | Confident | 84.5 | Confident | 6 Ų | 6 | 44.9 Ų | 44.9 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | B | Isolated β-bridge | trans | -97.5 | 143.7 | -179.4 | -55.3 | -178.8 | 0 | 0 | 0 | 111.9 | K857 E861 Q920 A921 D923 L931 | K857-L929 HydrophobicContact CG-CD1 3.62Å; E861-L929 WeakPolarHBondContact OE2-CD1 3.26Å; Q920-L929 WeakPolarHBondContact CG-O 3.44Å; Q920-L929 PolarHBondContact NE2-O 3.2Å; A921-L929 HydrophobicContact CB-CB 4.17Å; A921-L929 HydrophobicContact CB-CD1 3.82Å; A921-L929 HydrophobicContact CB-CG 4.27Å; A921-L929 PolarHBondContact O-N 3.36Å; D923-L929 HydrophobicContact CB-CD2 4.34Å; L929-L931 PolarHBondContact O-N 3.37Å |
| 930 | C | 86.7 | Confident | 83.1 | Confident | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.02 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -65.9 | 129.2 | -173.3 | 178.6 | 0 | 0 | 0 | 0 | 113 | S932 C933 Q934 Q935 C937 C949 | C930-S932 PolarHBondContact O-N 2.94Å; C930-S932 PolarHBondContact SG-N 3.22Å; C930-C933 VanDerWaalsContact CB-SG 3.54Å; C930-Q934 VanDerWaalsContact O-CA 3.27Å; C930-Q934 WeakPolarHBondContact O-CA 3.27Å; C930-Q934 PolarHBondContact O-N 2.84Å; C930-Q935 VanDerWaalsContact CB-O 3.28Å; C930-Q935 WeakPolarHBondContact CB-O 3.31Å; C930-Q935 PolarHBondContact N-O 3.45Å; C930-C937 WeakPolarHBondContact CA-SG 3.36Å; C930-C937 PolarHBondContact N-SG 3.06Å; C930-C949 HydrophobicContact CB-CB 4.17Å |
| 931 | L | 86.7 | Confident | 81.7 | Confident | 14 Ų | 14 | 49.4 Ų | 49.4 | 7% | 0.073 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -4.6 | 177.8 | -65.4 | -179.2 | 0 | 0 | 0 | 114.9 | V850 Y918 L919 Q920 L929 R947 F948 F957 | V850-L931 HydrophobicContact CG1-CD2 3.87Å; Y918-L931 HydrophobicContact CD1-CD1 4.46Å; Y918-L931 HydrophobicContact CG-CD1 4.1Å; L919-L931 WeakPolarHBondContact O-CD2 3.42Å; Q920-L931 HydrophobicContact CB-CD2 3.82Å; Q920-L931 HydrophobicContact CG-CD2 3.76Å; Q920-L931 HydrophobicContact CG-CG 4.22Å; L929-L931 PolarHBondContact O-N 3.37Å; L931-R947 HydrophobicContact CD1-CB 3.97Å; L931-R947 HydrophobicContact CD1-CG 3.85Å; L931-R947 HydrophobicContact CG-CB 4.4Å; L931-R947 PolarHBondContact N-O 2.88Å; L931-F948 HydrophobicContact CB-CD1 4.4Å; L931-F948 HydrophobicContact CB-CE1 3.83Å; L931-F948 HydrophobicContact CB-CZ 4.33Å; L931-F948 HydrophobicContact CD1-CZ 4.5Å; L931-F957 HydrophobicContact CB-CD2 4.26Å; L931-F957 HydrophobicContact CB-CE2 3.99Å; L931-F957 WeakPolarHBondContact O-CD2 3.37Å; L931-F957 WeakPolarHBondContact O-CE2 3.33Å |
| 932 | S | 84.2 | Confident | 80.7 | Confident | 40 Ų | 40 | 51 Ų | 51 | 28% | 0.28 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | -53.7 | 177.6 | 145.5 | 0 | 0 | 0 | 0 | 112.8 | C930 C953 | C930-S932 PolarHBondContact O-N 2.94Å; C930-S932 PolarHBondContact SG-N 3.22Å; S932-C953 VanDerWaalsContact CB-O 3.26Å; S932-C953 WeakPolarHBondContact CB-O 3.45Å; S932-C953 PolarHBondContact OG-O 2.8Å |
| 933 | C | 83.6 | Confident | 79.9 | Confident | 48 Ų | 48 | 52.4 Ų | 52.4 | 32% | 0.324 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | -0.3 | -173.5 | 68.5 | 0 | 0 | 0 | 0 | 114.6 | C930 Q935 C949 | C930-C933 VanDerWaalsContact CB-SG 3.54Å; C933-Q935 PolarHBondContact O-N 3.43Å; C933-C949 PolarHBondContact SG-SG 3.48Å |
| 934 | Q | 84.8 | Confident | 79.5 | Confident | 65 Ų | 65 | 53.4 Ų | 53.4 | 30% | 0.304 | 34% | 0.342 | S | S | . | . | trans | 58.5 | 10.3 | -179.8 | -63.5 | -179.1 | -26.4 | 0 | 0 | 116.3 | A853 K857 C930 | A853-Q934 PolarHBondContact O-NE2 3.24Å; K857-Q934 HydrophobicContact CD-CB 4.34Å; K857-Q934 HydrophobicContact CG-CB 4.11Å; K857-Q934 HydrophobicContact CG-CG 4.31Å; C930-Q934 VanDerWaalsContact O-CA 3.27Å; C930-Q934 WeakPolarHBondContact O-CA 3.27Å; C930-Q934 PolarHBondContact O-N 2.84Å | ||
| 935 | Q | 85.8 | Confident | 78.8 | Confident | 121 Ų | 121 | 51.1 Ų | 51.1 | 57% | 0.565 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -81.5 | 158.6 | 171.2 | -58.4 | -56.1 | -60.1 | 0 | 0 | 111.4 | C930 C933 C937 | C930-Q935 VanDerWaalsContact CB-O 3.28Å; C930-Q935 WeakPolarHBondContact CB-O 3.31Å; C930-Q935 PolarHBondContact N-O 3.45Å; C933-Q935 PolarHBondContact O-N 3.43Å; Q935-C937 PolarHBondContact O-N 3.17Å |
| 936 | A | 85.1 | Confident | 78.7 | Confident | 57 Ų | 57 | 43.8 Ų | 43.8 | 47% | 0.471 | 29% | 0.289 | S | S | . | . | B | Isolated β-bridge | trans | -53.9 | 134.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113 | V927 C949 | V927-A936 HydrophobicContact CG1-CB 3.95Å; A936-C949 WeakPolarHBondContact O-CB 3.47Å |
| 937 | C | 82.4 | Confident | 79 | Confident | 6 Ų | 6 | 42.7 Ų | 42.7 | 4% | 0.041 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -92.9 | 157.3 | 171 | -64.6 | 0 | 0 | 0 | 0 | 110.8 | P928 C930 Q935 T939 C949 | P928-C937 HydrophobicContact CG-CB 4.21Å; P928-C937 VanDerWaalsContact O-CB 3.26Å; P928-C937 WeakPolarHBondContact O-CB 3.41Å; P928-C937 PolarHBondContact O-N 3.22Å; C930-C937 WeakPolarHBondContact CA-SG 3.36Å; C930-C937 PolarHBondContact N-SG 3.06Å; Q935-C937 PolarHBondContact O-N 3.17Å; C937-T939 PolarHBondContact O-N 3.28Å; C937-C949 PolarHBondContact SG-N 3.34Å |
| 938 | P | 73.9 | Confident | 79 | Confident | 52 Ų | 52 | 41.1 Ų | 41.1 | 34% | 0.338 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -53.8 | 140.1 | 163.4 | -23.2 | 33.5 | 0 | 0 | 0 | 111.5 | T940 T946 | P938-T940 VanDerWaalsContact C-N 3.27Å; P938-T946 WeakPolarHBondContact O-CB 3.39Å; P938-T946 WeakPolarHBondContact O-CG2 3.41Å |
| 939 | T | 70 | Confident | 78.7 | Confident | 101 Ų | 101 | 42.8 Ų | 42.8 | 62% | 0.62 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -82.2 | -4.8 | 174.8 | 49.8 | 0 | 0 | 0 | 0 | 113.1 | V927 C937 G941 | V927-T939 HydrophobicContact CG1-CG2 4.2Å; V927-T939 HydrophobicContact CG2-CG2 4.5Å; C937-T939 PolarHBondContact O-N 3.28Å; T939-G941 PolarHBondContact O-N 2.85Å |
| 940 | T | 58 | Low | 77.9 | Confident | 96 Ų | 96 | 44.5 Ų | 44.5 | 59% | 0.589 | 29% | 0.285 | S | S | * | . | trans | -85.7 | 95 | -176 | 52.4 | 0 | 0 | 0 | 0 | 112.6 | P938 | P938-T940 VanDerWaalsContact C-N 3.27Š| ||
| 941 | G | 61.7 | Low | 77 | Confident | 52 Ų | 52 | 46.9 Ų | 46.9 | 54% | 0.536 | 30% | 0.296 | S | S | . | . | S | Bend | trans | 154.4 | -173 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | T939 | T939-G941 PolarHBondContact O-N 2.85Š|
| 942 | G | 69 | Low | 76.2 | Confident | 36 Ų | 36 | 53.2 Ų | 53.2 | 37% | 0.371 | 32% | 0.318 | S | S | . | . | trans | -69 | 167.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | W944 D945 T946 | G942-W944 PolarHBondContact O-N 2.79Å; G942-D945 WeakPolarHBondContact CA-OD2 3.32Å; G942-D945 PolarHBondContact N-OD2 3.08Å; G942-D945 PolarHBondContact O-N 3.25Å; G942-D945 VanDerWaalsContact O-N 3.12Å; G942-T946 PolarHBondContact O-N 3.14Å; G942-T946 VanDerWaalsContact O-N 3.14Å; G942-T946 PolarHBondContact O-OG1 2.7Å | ||
| 943 | A | 71.9 | Confident | 75.9 | Confident | 47 Ų | 47 | 51.8 Ų | 51.8 | 39% | 0.388 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -33.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R866 V868 | R866-A943 PolarHBondContact NH2-O 3.05Å; V868-A943 HydrophobicContact CG1-CB 4.42Å; V868-A943 WeakPolarHBondContact CG1-O 3.1Å |
| 944 | W | 78.4 | Confident | 75.8 | Confident | 53 Ų | 53 | 50.7 Ų | 50.7 | 20% | 0.201 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -31.8 | 177.3 | -173.1 | -100.5 | 0 | 0 | 0 | 114.4 | V868 T869 K870 P916 Y918 G942 R947 | V868-W944 HydrophobicContact CG1-CB 4.44Å; V868-W944 HydrophobicContact CG1-CE3 3.84Å; T869-W944 VanDerWaalsContact C-CE3 3.49Å; T869-W944 VanDerWaalsContact O-CE3 3.32Å; K870-W944 HydrophobicContact CB-CD2 4.04Å; K870-W944 HydrophobicContact CB-CE3 3.86Å; K870-W944 HydrophobicContact CB-CH2 3.89Å; K870-W944 HydrophobicContact CB-CZ2 4.03Å; K870-W944 HydrophobicContact CB-CZ3 3.81Å; K870-W944 HydrophobicContact CD-CZ2 4.32Å; K870-W944 HydrophobicContact CG-CD2 4.27Å; K870-W944 HydrophobicContact CG-CH2 4.47Å; K870-W944 HydrophobicContact CG-CZ2 4.11Å; P916-W944 HydrophobicContact CB-CH2 4.24Å; P916-W944 HydrophobicContact CG-CH2 3.98Å; P916-W944 WeakPolarHBondContact O-CH2 3.1Å; P916-W944 WeakPolarHBondContact O-CZ3 3.39Å; Y918-W944 HydrophobicContact CD2-CH2 4.29Å; Y918-W944 HydrophobicContact CD2-CZ3 4.14Å; Y918-W944 HydrophobicContact CE2-CH2 4.1Å; Y918-W944 HydrophobicContact CE2-CZ3 4.41Å; G942-W944 PolarHBondContact O-N 2.79Å; W944-R947 VanDerWaalsContact CE2-CZ 3.47Å; W944-R947 PolarHBondContact O-NE 3.48Å; W944-R947 PolarHBondContact O-NH2 3.36Å; W944-R947 VanDerWaalsContact O-NH2 3.17Å |
| 945 | D | 69.9 | Low | 75.2 | Confident | 31 Ų | 31 | 49 Ų | 49 | 17% | 0.166 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -39.1 | -177.9 | -49.7 | -52.3 | 0 | 0 | 0 | 110.3 | M119 G942 R947 | M119-D945 WeakPolarHBondContact CE-O 3.49Å; G942-D945 WeakPolarHBondContact CA-OD2 3.32Å; G942-D945 PolarHBondContact N-OD2 3.08Å; G942-D945 PolarHBondContact O-N 3.25Å; G942-D945 VanDerWaalsContact O-N 3.12Å; D945-R947 PolarHBondContact O-N 2.91Å |
| 946 | T | 81 | Confident | 74.9 | Confident | 4 Ų | 4 | 46.1 Ų | 46.1 | 3% | 0.025 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 27.7 | -177.2 | 53.9 | 0 | 0 | 0 | 0 | 113.8 | R866 Q920 P938 G942 | R866-T946 PolarHBondContact NH2-O 3.04Å; R866-T946 PolarHBondContact NH2-OG1 2.74Å; Q920-T946 PolarHBondContact NE2-O 2.87Å; P938-T946 WeakPolarHBondContact O-CB 3.39Å; P938-T946 WeakPolarHBondContact O-CG2 3.41Å; G942-T946 PolarHBondContact O-N 3.14Å; G942-T946 VanDerWaalsContact O-N 3.14Å; G942-T946 PolarHBondContact O-OG1 2.7Å |
| 947 | R | 86.3 | Confident | 74.8 | Confident | 22 Ų | 22 | 43.8 Ų | 43.8 | 8% | 0.083 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -23.9 | 177.6 | -80.6 | -175.4 | -64.8 | 131.7 | 18.6 | 114.8 | V868 L931 W944 D945 | V868-R947 HydrophobicContact CB-CG 4.38Å; V868-R947 HydrophobicContact CG1-CG 3.72Å; V868-R947 HydrophobicContact CG2-CG 4.48Å; L931-R947 HydrophobicContact CD1-CB 3.97Å; L931-R947 HydrophobicContact CD1-CG 3.85Å; L931-R947 HydrophobicContact CG-CB 4.4Å; L931-R947 PolarHBondContact N-O 2.88Å; W944-R947 VanDerWaalsContact CE2-CZ 3.47Å; W944-R947 PolarHBondContact O-NE 3.48Å; W944-R947 PolarHBondContact O-NH2 3.36Å; W944-R947 VanDerWaalsContact O-NH2 3.17Å; D945-R947 PolarHBondContact O-N 2.91Å |
| 948 | F | 84.4 | Confident | 74.9 | Confident | 5 Ų | 5 | 46.6 Ų | 46.6 | 2% | 0.022 | 27% | 0.269 | C | S | . | . | trans | -133 | 144 | -176.5 | -56.4 | -76.9 | 0 | 0 | 0 | 110.3 | M119 L931 S950 C953 Q954 F957 | M119-F948 WeakPolarHBondContact CE-O 3.49Å; L931-F948 HydrophobicContact CB-CD1 4.4Å; L931-F948 HydrophobicContact CB-CE1 3.83Å; L931-F948 HydrophobicContact CB-CZ 4.33Å; L931-F948 HydrophobicContact CD1-CZ 4.5Å; F948-S950 VanDerWaalsContact C-N 3.33Å; F948-C953 HydrophobicContact CB-CB 4.47Å; F948-C953 HydrophobicContact CD1-CB 4.41Å; F948-Q954 HydrophobicContact CB-CB 4.23Å; F948-Q954 HydrophobicContact CD1-CB 4.37Å; F948-Q954 HydrophobicContact CD2-CB 3.76Å; F948-Q954 HydrophobicContact CD2-CG 3.76Å; F948-Q954 HydrophobicContact CE2-CB 4.22Å; F948-Q954 HydrophobicContact CE2-CG 3.84Å; F948-Q954 HydrophobicContact CG-CB 3.85Å; F948-Q954 HydrophobicContact CG-CG 4.36Å; F948-Q954 HydrophobicContact CZ-CG 4.48Å; F948-F957 HydrophobicContact CE1-CB 3.57Å; F948-F957 HydrophobicContact CE1-CD1 4.11Å; F948-F957 AromaticContact CE1-CD2 3.88Å; F948-F957 HydrophobicContact CE1-CD2 3.88Å; F948-F957 AromaticContact CE1-CG 3.6Å; F948-F957 HydrophobicContact CE1-CG 3.6Å; F948-F957 HydrophobicContact CZ-CB 4Å; F948-F957 AromaticContact CZ-CD1 3.77Å; F948-F957 HydrophobicContact CZ-CD1 3.77Å; F948-F957 HydrophobicContact CZ-CD2 4.28Å; F948-F957 HydrophobicContact CZ-CE1 4.29Å; F948-F957 AromaticContact CZ-CG 3.77Å; F948-F957 HydrophobicContact CZ-CG 3.77Å | ||
| 949 | C | 80.1 | Confident | 75.2 | Confident | 39 Ų | 39 | 44.9 Ų | 44.9 | 26% | 0.264 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -82.5 | -12.2 | 178 | 68.9 | 0 | 0 | 0 | 0 | 113.1 | C930 C933 A936 C937 | C930-C949 HydrophobicContact CB-CB 4.17Å; C933-C949 PolarHBondContact SG-SG 3.48Å; A936-C949 WeakPolarHBondContact O-CB 3.47Å; C937-C949 PolarHBondContact SG-N 3.34Å |
| 950 | S | 72.3 | Confident | 75.9 | Confident | 43 Ų | 43 | 42.4 Ų | 42.4 | 30% | 0.301 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -160.9 | 159.8 | -179.3 | 67.4 | 0 | 0 | 0 | 0 | 111.7 | F948 R952 C953 Q954 | F948-S950 VanDerWaalsContact C-N 3.33Å; S950-R952 VanDerWaalsContact C-N 3.27Å; S950-R952 PolarHBondContact O-N 3.29Å; S950-C953 PolarHBondContact O-N 2.97Å; S950-C953 PolarHBondContact OG-N 3.41Å; S950-C953 PolarHBondContact OG-SG 2.69Å; S950-C953 VanDerWaalsContact OG-SG 3.4Å; S950-Q954 PolarHBondContact O-N 2.91Å; S950-Q954 VanDerWaalsContact O-N 3.15Å |
| 951 | H | 66.8 | Low | 77.2 | Confident | 53 Ų | 53 | 39.6 Ų | 39.6 | 25% | 0.245 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60 | -36.6 | 172.5 | -161.3 | -94.9 | 0 | 0 | 0 | 112.4 | C953 Q954 E955 | H951-C953 VanDerWaalsContact C-N 3.34Å; H951-C953 PolarHBondContact O-N 3.26Å; H951-Q954 WeakPolarHBondContact O-CB 3.22Å; H951-Q954 PolarHBondContact O-N 2.94Å; H951-Q954 VanDerWaalsContact O-N 3.14Å; H951-E955 IonicContact CE1-OE1 3Å; H951-E955 PolarHBondContact CE1-OE1 3.46Å; H951-E955 VanDerWaalsContact CE1-OE1 3.26Å; H951-E955 IonicContact ND1-OE1 2.91Å; H951-E955 PolarHBondContact ND1-OE1 3.33Å; H951-E955 PolarHBondContact O-N 3.1Å |
| 952 | R | 70.1 | Confident | 78.2 | Confident | 146 Ų | 146 | 39.1 Ų | 39.1 | 55% | 0.551 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -54.7 | -48.4 | 174.2 | 177.7 | 178.4 | 172.8 | 173.1 | -0.6 | 111.6 | S950 E955 E956 | S950-R952 VanDerWaalsContact C-N 3.27Å; S950-R952 PolarHBondContact O-N 3.29Å; R952-E955 PolarHBondContact O-N 3.2Å; R952-E956 VanDerWaalsContact O-CB 3.31Å; R952-E956 WeakPolarHBondContact O-CB 3.4Å; R952-E956 PolarHBondContact O-N 3.47Å |
| 953 | C | 78 | Confident | 78.9 | Confident | 11 Ų | 11 | 42.2 Ų | 42.2 | 7% | 0.074 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.6 | -33.8 | 178 | -70.4 | 0 | 0 | 0 | 0 | 113.1 | S932 F948 S950 H951 F957 | S932-C953 VanDerWaalsContact CB-O 3.26Å; S932-C953 WeakPolarHBondContact CB-O 3.45Å; S932-C953 PolarHBondContact OG-O 2.8Å; F948-C953 HydrophobicContact CB-CB 4.47Å; F948-C953 HydrophobicContact CD1-CB 4.41Å; S950-C953 PolarHBondContact O-N 2.97Å; S950-C953 PolarHBondContact OG-N 3.41Å; S950-C953 PolarHBondContact OG-SG 2.69Å; S950-C953 VanDerWaalsContact OG-SG 3.4Å; H951-C953 VanDerWaalsContact C-N 3.34Å; H951-C953 PolarHBondContact O-N 3.26Å; C953-F957 VanDerWaalsContact O-CB 3.3Å; C953-F957 WeakPolarHBondContact O-CB 3.49Å; C953-F957 PolarHBondContact O-N 3.2Å; C953-F957 VanDerWaalsContact O-N 3.08Å |
| 954 | Q | 81.1 | Confident | 79.3 | Confident | 24 Ų | 24 | 45.4 Ų | 45.4 | 11% | 0.112 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65 | -47.7 | 173.2 | -174.7 | -171.4 | -71.7 | 0 | 0 | 111.4 | F948 S950 H951 F957 Q958 | F948-Q954 HydrophobicContact CB-CB 4.23Å; F948-Q954 HydrophobicContact CD1-CB 4.37Å; F948-Q954 HydrophobicContact CD2-CB 3.76Å; F948-Q954 HydrophobicContact CD2-CG 3.76Å; F948-Q954 HydrophobicContact CE2-CB 4.22Å; F948-Q954 HydrophobicContact CE2-CG 3.84Å; F948-Q954 HydrophobicContact CG-CB 3.85Å; F948-Q954 HydrophobicContact CG-CG 4.36Å; F948-Q954 HydrophobicContact CZ-CG 4.48Å; S950-Q954 PolarHBondContact O-N 2.91Å; S950-Q954 VanDerWaalsContact O-N 3.15Å; H951-Q954 WeakPolarHBondContact O-CB 3.22Å; H951-Q954 PolarHBondContact O-N 2.94Å; H951-Q954 VanDerWaalsContact O-N 3.14Å; Q954-F957 WeakPolarHBondContact O-CB 3.34Å; Q954-F957 PolarHBondContact O-N 3.45Å; Q954-Q958 WeakPolarHBondContact O-CG 3.5Å; Q954-Q958 PolarHBondContact O-N 2.7Å |
| 955 | E | 72.9 | Confident | 79.4 | Confident | 30 Ų | 30 | 45.3 Ų | 45.3 | 14% | 0.14 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.1 | -39.3 | 180 | -73.8 | -173.6 | -97.4 | 0 | 0 | 112.6 | R816 H951 R952 F957 Q958 L959 F965 | R816-E955 VanDerWaalsContact CZ-CD 3.45Å; R816-E955 IonicContact CZ-OE1 2.7Å; R816-E955 VanDerWaalsContact CZ-OE1 3.26Å; R816-E955 IonicContact CZ-OE2 2.69Å; R816-E955 IonicContact NE-OE1 3.99Å; R816-E955 IonicContact NE-OE2 2.78Å; R816-E955 IonicContact NH1-OE1 3.97Å; R816-E955 IonicContact NH1-OE2 3.7Å; R816-E955 PolarHBondContact NH1-OE2 3.35Å; R816-E955 IonicContact NH2-OE1 2.79Å; R816-E955 PolarHBondContact NH2-OE1 2.78Å; R816-E955 IonicContact NH2-OE2 3.04Å; R816-E955 PolarHBondContact NH2-OE2 3.41Å; H951-E955 IonicContact CE1-OE1 3Å; H951-E955 PolarHBondContact CE1-OE1 3.46Å; H951-E955 VanDerWaalsContact CE1-OE1 3.26Å; H951-E955 IonicContact ND1-OE1 2.91Å; H951-E955 PolarHBondContact ND1-OE1 3.33Å; H951-E955 PolarHBondContact O-N 3.1Å; R952-E955 PolarHBondContact O-N 3.2Å; E955-F957 VanDerWaalsContact C-N 3.31Å; E955-F957 PolarHBondContact O-N 3.21Å; E955-Q958 PolarHBondContact O-N 3.48Å; E955-Q958 VanDerWaalsContact O-N 3.17Å; E955-L959 WeakPolarHBondContact O-CB 3.49Å; E955-L959 PolarHBondContact O-N 3.35Å; E955-F965 HydrophobicContact CB-CE1 4.37Å; E955-F965 HydrophobicContact CB-CZ 4.05Å; E955-F965 HydrophobicContact CG-CZ 3.92Å |
| 956 | E | 78.7 | Confident | 80 | Confident | 60 Ų | 60 | 44.2 Ų | 44.2 | 28% | 0.28 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.6 | -39.6 | 175.7 | -176.9 | 171.8 | 178.8 | 0 | 0 | 111.3 | R952 R960 | R952-E956 VanDerWaalsContact O-CB 3.31Å; R952-E956 WeakPolarHBondContact O-CB 3.4Å; R952-E956 PolarHBondContact O-N 3.47Å; E956-R960 VanDerWaalsContact O-CG 3.28Å; E956-R960 WeakPolarHBondContact O-CG 3.41Å; E956-R960 PolarHBondContact O-N 3.12Å; E956-R960 VanDerWaalsContact O-N 3.16Å; E956-R960 IonicContact OE1-CZ 2.7Å; E956-R960 IonicContact OE1-NE 2.63Å; E956-R960 PolarHBondContact OE1-NE 2.79Å; E956-R960 IonicContact OE1-NH2 3.49Å; E956-R960 PolarHBondContact OE1-NH2 3.1Å |
| 957 | F | 84.3 | Confident | 80.3 | Confident | 8 Ų | 8 | 45.7 Ų | 45.7 | 4% | 0.035 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.1 | -45.9 | 170 | -173.1 | -86.7 | 0 | 0 | 0 | 111.7 | L845 V850 Y918 L931 F948 C953 Q954 E955 R960 S961 | L845-F957 HydrophobicContact CD2-CD2 3.91Å; L845-F957 HydrophobicContact CD2-CE2 3.83Å; V850-F957 HydrophobicContact CG1-CE2 4.26Å; V850-F957 HydrophobicContact CG2-CE2 3.63Å; V850-F957 HydrophobicContact CG2-CZ 3.92Å; Y918-F957 HydrophobicContact CD1-CZ 4.2Å; Y918-F957 HydrophobicContact CE1-CE1 4.06Å; Y918-F957 AromaticContact CE1-CZ 3.69Å; Y918-F957 HydrophobicContact CE1-CZ 3.69Å; L931-F957 HydrophobicContact CB-CD2 4.26Å; L931-F957 HydrophobicContact CB-CE2 3.99Å; L931-F957 WeakPolarHBondContact O-CD2 3.37Å; L931-F957 WeakPolarHBondContact O-CE2 3.33Å; F948-F957 HydrophobicContact CE1-CB 3.57Å; F948-F957 HydrophobicContact CE1-CD1 4.11Å; F948-F957 AromaticContact CE1-CD2 3.88Å; F948-F957 HydrophobicContact CE1-CD2 3.88Å; F948-F957 AromaticContact CE1-CG 3.6Å; F948-F957 HydrophobicContact CE1-CG 3.6Å; F948-F957 HydrophobicContact CZ-CB 4Å; F948-F957 AromaticContact CZ-CD1 3.77Å; F948-F957 HydrophobicContact CZ-CD1 3.77Å; F948-F957 HydrophobicContact CZ-CD2 4.28Å; F948-F957 HydrophobicContact CZ-CE1 4.29Å; F948-F957 AromaticContact CZ-CG 3.77Å; F948-F957 HydrophobicContact CZ-CG 3.77Å; C953-F957 VanDerWaalsContact O-CB 3.3Å; C953-F957 WeakPolarHBondContact O-CB 3.49Å; C953-F957 PolarHBondContact O-N 3.2Å; C953-F957 VanDerWaalsContact O-N 3.08Å; Q954-F957 WeakPolarHBondContact O-CB 3.34Å; Q954-F957 PolarHBondContact O-N 3.45Å; E955-F957 VanDerWaalsContact C-N 3.31Å; E955-F957 PolarHBondContact O-N 3.21Å; F957-R960 PolarHBondContact O-N 3.46Å; F957-S961 WeakPolarHBondContact O-CB 3.23Å; F957-S961 PolarHBondContact O-N 2.91Å; F957-S961 PolarHBondContact O-OG 3.16Å |
| 958 | Q | 83.3 | Confident | 79.9 | Confident | 66 Ų | 66 | 48.2 Ų | 48.2 | 31% | 0.308 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.1 | -40.4 | 178.9 | -76.2 | 175.5 | -24.6 | 0 | 0 | 112.6 | Q954 E955 R960 S961 S962 F965 | Q954-Q958 WeakPolarHBondContact O-CG 3.5Å; Q954-Q958 PolarHBondContact O-N 2.7Å; E955-Q958 PolarHBondContact O-N 3.48Å; E955-Q958 VanDerWaalsContact O-N 3.17Å; Q958-R960 PolarHBondContact O-N 3.45Å; Q958-S961 PolarHBondContact O-N 3.49Å; Q958-S962 WeakPolarHBondContact O-CA 3.49Å; Q958-S962 VanDerWaalsContact O-CB 3.26Å; Q958-S962 WeakPolarHBondContact O-CB 3.45Å; Q958-S962 PolarHBondContact O-N 2.97Å; Q958-F965 HydrophobicContact CB-CB 4.42Å; Q958-F965 HydrophobicContact CB-CD1 3.73Å; Q958-F965 HydrophobicContact CB-CD2 4.29Å; Q958-F965 HydrophobicContact CB-CE1 3.98Å; Q958-F965 HydrophobicContact CB-CG 3.89Å; Q958-F965 HydrophobicContact CB-CZ 4.38Å |
| 959 | L | 81.6 | Confident | 79.5 | Confident | 16 Ų | 16 | 48.8 Ų | 48.8 | 8% | 0.084 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.4 | -45 | 174.4 | -178.6 | 65.6 | 0 | 0 | 0 | 111.6 | E955 S961 F965 M966 M1047 L1050 | E955-L959 WeakPolarHBondContact O-CB 3.49Å; E955-L959 PolarHBondContact O-N 3.35Å; L959-S961 VanDerWaalsContact C-N 3.33Å; L959-S961 PolarHBondContact O-N 3.3Å; L959-F965 HydrophobicContact CB-CD1 4.24Å; L959-F965 HydrophobicContact CB-CE1 4.26Å; L959-M966 HydrophobicContact CD1-CB 4.2Å; L959-M966 HydrophobicContact CD1-CG 4.13Å; L959-M966 VanDerWaalsContact O-CE 3.29Å; L959-M966 WeakPolarHBondContact O-CE 3.48Å; L959-M1047 HydrophobicContact CD1-CG 4.3Å; L959-M1047 HydrophobicContact CD1-SD 3.67Å; L959-M1047 HydrophobicContact CD2-CG 3.81Å; L959-M1047 HydrophobicContact CD2-SD 4.27Å; L959-L1050 HydrophobicContact CD1-CD1 4.12Å |
| 960 | R | 84.9 | Confident | 79.6 | Confident | 48 Ų | 48 | 47 Ų | 47 | 18% | 0.181 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -73.1 | -20.9 | 180 | -64.9 | 173 | -172.8 | -121 | 17.2 | 113.3 | H838 Y844 L845 E956 F957 Q958 Q1044 | H838-R960 PolarHBondContact CD2-NH1 3.36Å; H838-R960 PolarHBondContact NE2-NH1 3.15Å; Y844-R960 CarbonylContact C-O 3.3Å; Y844-R960 WeakPolarHBondContact CA-O 3Å; L845-R960 HydrophobicContact CB-CB 4.11Å; L845-R960 PolarHBondContact N-O 3.32Å; E956-R960 VanDerWaalsContact O-CG 3.28Å; E956-R960 WeakPolarHBondContact O-CG 3.41Å; E956-R960 PolarHBondContact O-N 3.12Å; E956-R960 VanDerWaalsContact O-N 3.16Å; E956-R960 IonicContact OE1-CZ 2.7Å; E956-R960 IonicContact OE1-NE 2.63Å; E956-R960 PolarHBondContact OE1-NE 2.79Å; E956-R960 IonicContact OE1-NH2 3.49Å; E956-R960 PolarHBondContact OE1-NH2 3.1Å; F957-R960 PolarHBondContact O-N 3.46Å; Q958-R960 PolarHBondContact O-N 3.45Å; R960-Q1044 PolarHBondContact NH1-O 3.16Å |
| 961 | S | 84.3 | Confident | 80 | Confident | 38 Ų | 38 | 46.9 Ų | 46.9 | 27% | 0.266 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -118.7 | -13.1 | -171.9 | 61.3 | 0 | 0 | 0 | 0 | 116.5 | F957 Q958 L959 | F957-S961 WeakPolarHBondContact O-CB 3.23Å; F957-S961 PolarHBondContact O-N 2.91Å; F957-S961 PolarHBondContact O-OG 3.16Å; Q958-S961 PolarHBondContact O-N 3.49Å; L959-S961 VanDerWaalsContact C-N 3.33Å; L959-S961 PolarHBondContact O-N 3.3Å |
| 962 | S | 83.9 | Confident | 80.2 | Confident | 41 Ų | 41 | 48.9 Ų | 48.9 | 29% | 0.287 | 25% | 0.247 | S | C | . | . | trans | -127.7 | 111.4 | -173.6 | -176.2 | 0 | 0 | 0 | 0 | 112.5 | Q958 T964 F965 M966 | Q958-S962 WeakPolarHBondContact O-CA 3.49Å; Q958-S962 VanDerWaalsContact O-CB 3.26Å; Q958-S962 WeakPolarHBondContact O-CB 3.45Å; Q958-S962 PolarHBondContact O-N 2.97Å; S962-T964 VanDerWaalsContact C-N 3.27Å; S962-T964 PolarHBondContact O-N 2.99Å; S962-F965 PolarHBondContact O-N 3.04Å; S962-M966 WeakPolarHBondContact O-CB 3.49Å; S962-M966 PolarHBondContact O-N 2.84Å | ||
| 963 | Q | 83.1 | Confident | 80 | Confident | 101 Ų | 101 | 42.6 Ų | 42.6 | 47% | 0.472 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -58.3 | -36.7 | 175.8 | -176.4 | 169.8 | -17.8 | 0 | 0 | 113 | Y844 M966 R967 | Y844-Q963 HydrophobicContact CE1-CB 4.27Å; Y844-Q963 WeakPolarHBondContact OH-CB 3.42Å; Y844-Q963 VanDerWaalsContact OH-CG 3.28Å; Y844-Q963 WeakPolarHBondContact OH-CG 3.28Å; Y844-Q963 PolarHBondContact OH-OE1 2.69Å; Q963-M966 PolarHBondContact O-N 3.08Å; Q963-R967 PolarHBondContact O-N 3.14Å |
| 964 | T | 80.6 | Confident | 80.1 | Confident | 114 Ų | 114 | 44 Ų | 44 | 70% | 0.699 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -69.5 | -41.9 | -179.7 | -44.1 | 0 | 0 | 0 | 0 | 111.5 | S962 R967 S968 | S962-T964 VanDerWaalsContact C-N 3.27Å; S962-T964 PolarHBondContact O-N 2.99Å; T964-R967 PolarHBondContact O-N 2.87Å; T964-S968 PolarHBondContact O-N 3.32Å |
| 965 | F | 80.9 | Confident | 80 | Confident | 51 Ų | 51 | 46.6 Ų | 46.6 | 22% | 0.224 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.5 | -42.8 | 175 | -171.5 | -98.2 | 0 | 0 | 0 | 111.2 | E955 Q958 L959 S962 S968 C969 | E955-F965 HydrophobicContact CB-CE1 4.37Å; E955-F965 HydrophobicContact CB-CZ 4.05Å; E955-F965 HydrophobicContact CG-CZ 3.92Å; Q958-F965 HydrophobicContact CB-CB 4.42Å; Q958-F965 HydrophobicContact CB-CD1 3.73Å; Q958-F965 HydrophobicContact CB-CD2 4.29Å; Q958-F965 HydrophobicContact CB-CE1 3.98Å; Q958-F965 HydrophobicContact CB-CG 3.89Å; Q958-F965 HydrophobicContact CB-CZ 4.38Å; L959-F965 HydrophobicContact CB-CD1 4.24Å; L959-F965 HydrophobicContact CB-CE1 4.26Å; S962-F965 PolarHBondContact O-N 3.04Å; F965-S968 WeakPolarHBondContact O-CB 3.37Å; F965-S968 PolarHBondContact O-N 3.35Å; F965-C969 PolarHBondContact O-N 3.09Å; F965-C969 PolarHBondContact O-SG 2.77Å |
| 966 | M | 82.1 | Confident | 80.5 | Confident | 8 Ų | 8 | 45.2 Ų | 45.2 | 4% | 0.039 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.6 | -48 | 174 | -174 | -173.4 | -73.9 | 0 | 0 | 112.3 | Y844 L959 S962 Q963 S968 C969 V970 V1032 L1050 | Y844-M966 HydrophobicContact CD1-CE 4.19Å; Y844-M966 HydrophobicContact CE1-CE 3.9Å; Y844-M966 HydrophobicContact CE1-SD 4.31Å; L959-M966 HydrophobicContact CD1-CB 4.2Å; L959-M966 HydrophobicContact CD1-CG 4.13Å; L959-M966 VanDerWaalsContact O-CE 3.29Å; L959-M966 WeakPolarHBondContact O-CE 3.48Å; S962-M966 WeakPolarHBondContact O-CB 3.49Å; S962-M966 PolarHBondContact O-N 2.84Å; Q963-M966 PolarHBondContact O-N 3.08Å; M966-S968 PolarHBondContact O-N 2.53Å; M966-C969 PolarHBondContact O-N 2.81Å; M966-V970 WeakPolarHBondContact O-CG2 3.4Å; M966-V970 PolarHBondContact O-N 3.08Å; M966-V970 VanDerWaalsContact O-N 3.09Å; M966-V1032 HydrophobicContact CG-CG1 4.25Å; M966-V1032 HydrophobicContact SD-CG1 4.12Å; M966-L1050 HydrophobicContact CE-CD1 4.3Å; M966-L1050 HydrophobicContact CG-CD1 3.55Å; M966-L1050 HydrophobicContact SD-CD1 3.98Å; M966-L1050 HydrophobicContact SD-CD2 4.09Å |
| 967 | R | 86.1 | Confident | 80.9 | Confident | 35 Ų | 35 | 45.2 Ų | 45.2 | 13% | 0.132 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.7 | -47.6 | 173.9 | -81.2 | -172.5 | 66.2 | 96.2 | 2.9 | 111.8 | Q963 T964 C969 V970 L971 E1026 W1030 V1032 | Q963-R967 PolarHBondContact O-N 3.14Å; T964-R967 PolarHBondContact O-N 2.87Å; R967-C969 VanDerWaalsContact C-N 3.32Å; R967-C969 PolarHBondContact O-N 2.61Å; R967-V970 PolarHBondContact O-N 2.85Å; R967-L971 WeakPolarHBondContact O-CB 3.45Å; R967-L971 PolarHBondContact O-N 2.54Å; R967-E1026 IonicContact CZ-OE2 3.68Å; R967-E1026 IonicContact NE-OE2 2.7Å; R967-E1026 IonicContact NH2-OE2 3.92Å; R967-E1026 PolarHBondContact NH2-OE2 3.27Å; R967-W1030 HydrophobicContact CB-CH2 4.17Å; R967-W1030 HydrophobicContact CG-CH2 4.35Å; R967-W1030 PolarHBondContact NH1-O 3.31Å; R967-W1030 VanDerWaalsContact NH2-CE2 3.27Å; R967-W1030 VanDerWaalsContact NH2-CZ2 3.28Å; R967-W1030 PolarHBondContact NH2-O 2.97Å; R967-V1032 HydrophobicContact CB-CG2 4.49Å; R967-V1032 HydrophobicContact CG-CG2 3.94Å |
| 968 | S | 79.2 | Confident | 81.1 | Confident | 75 Ų | 75 | 44.9 Ų | 44.9 | 52% | 0.524 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -57.9 | -43.6 | 179.5 | -168.6 | 0 | 0 | 0 | 0 | 112.3 | T964 F965 M966 E972 | T964-S968 PolarHBondContact O-N 3.32Å; F965-S968 WeakPolarHBondContact O-CB 3.37Å; F965-S968 PolarHBondContact O-N 3.35Å; M966-S968 PolarHBondContact O-N 2.53Å; S968-E972 WeakPolarHBondContact O-CB 3.49Å; S968-E972 PolarHBondContact O-N 2.92Å |
| 969 | C | 75.8 | Confident | 81.3 | Confident | 18 Ų | 18 | 46.8 Ų | 46.8 | 12% | 0.122 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -67.5 | -39.6 | 179.3 | -63.1 | 0 | 0 | 0 | 0 | 112.6 | F965 M966 R967 A973 M1047 | F965-C969 PolarHBondContact O-N 3.09Å; F965-C969 PolarHBondContact O-SG 2.77Å; M966-C969 PolarHBondContact O-N 2.81Å; R967-C969 VanDerWaalsContact C-N 3.32Å; R967-C969 PolarHBondContact O-N 2.61Å; C969-A973 VanDerWaalsContact O-CB 3.27Å; C969-A973 WeakPolarHBondContact O-CB 3.27Å; C969-A973 PolarHBondContact O-N 3.22Å; C969-M1047 HydrophobicContact CB-CE 3.76Å; C969-M1047 HydrophobicContact CB-SD 3.51Å; C969-M1047 VanDerWaalsContact CB-SD 3.51Å |
| 970 | V | 82.3 | Confident | 81.4 | Confident | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.012 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -74 | -37.8 | -179.1 | 175.3 | 0 | 0 | 0 | 0 | 111.9 | M966 R967 E972 A973 E974 V1032 M1047 L1050 T1052 | M966-V970 WeakPolarHBondContact O-CG2 3.4Å; M966-V970 PolarHBondContact O-N 3.08Å; M966-V970 VanDerWaalsContact O-N 3.09Å; R967-V970 PolarHBondContact O-N 2.85Å; V970-E972 VanDerWaalsContact C-N 3.3Å; V970-E972 PolarHBondContact O-N 2.98Å; V970-A973 WeakPolarHBondContact O-CB 3.34Å; V970-A973 PolarHBondContact O-N 3.41Å; V970-E974 PolarHBondContact O-N 3.13Å; V970-V1032 HydrophobicContact CB-CG2 3.76Å; V970-V1032 HydrophobicContact CG1-CG2 3.95Å; V970-V1032 HydrophobicContact CG2-CG1 3.96Å; V970-V1032 HydrophobicContact CG2-CG2 3.94Å; V970-M1047 HydrophobicContact CB-CE 4.45Å; V970-M1047 HydrophobicContact CG2-CE 3.71Å; V970-M1047 HydrophobicContact CG2-SD 4.15Å; V970-L1050 HydrophobicContact CG2-CB 3.83Å; V970-L1050 HydrophobicContact CG2-CD1 4.03Å; V970-T1052 WeakPolarHBondContact CG1-OG1 3.19Å |
| 971 | L | 81.1 | Confident | 81.5 | Confident | 39 Ų | 39 | 52.1 Ų | 52.1 | 20% | 0.204 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.7 | -43.7 | 172.1 | 176.8 | 61 | 0 | 0 | 0 | 111.6 | R967 Q975 H986 W1030 | R967-L971 WeakPolarHBondContact O-CB 3.45Å; R967-L971 PolarHBondContact O-N 2.54Å; L971-Q975 VanDerWaalsContact O-CA 3.24Å; L971-Q975 WeakPolarHBondContact O-CA 3.24Å; L971-Q975 PolarHBondContact O-N 3.48Å; L971-H986 HydrophobicContact CD1-CB 3.88Å; L971-H986 WeakPolarHBondContact CD1-ND1 3.19Å; L971-W1030 HydrophobicContact CB-CH2 3.8Å; L971-W1030 HydrophobicContact CB-CZ2 3.76Å; L971-W1030 HydrophobicContact CD1-CZ2 3.94Å; L971-W1030 HydrophobicContact CD2-CZ2 4.27Å; L971-W1030 HydrophobicContact CG-CZ2 4.19Å |
| 972 | E | 69.8 | Low | 81.4 | Confident | 95 Ų | 95 | 52.7 Ų | 52.7 | 44% | 0.444 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -69.6 | -37.1 | 178.1 | -165.1 | -168.8 | 170.8 | 0 | 0 | 112.3 | K812 S968 V970 Q975 | K812-E972 IonicContact NZ-OE1 2.74Å; K812-E972 PolarHBondContact NZ-OE1 2.98Å; K812-E972 IonicContact NZ-OE2 3.73Å; K812-E972 PolarHBondContact NZ-OE2 3.16Å; S968-E972 WeakPolarHBondContact O-CB 3.49Å; S968-E972 PolarHBondContact O-N 2.92Å; V970-E972 VanDerWaalsContact C-N 3.3Å; V970-E972 PolarHBondContact O-N 2.98Å; E972-Q975 PolarHBondContact O-NE2 3.17Å |
| 973 | A | 66.1 | Low | 81.6 | Confident | 14 Ų | 14 | 52.4 Ų | 52.4 | 12% | 0.116 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.6 | -44.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | M809 C969 V970 M1047 | M809-A973 HydrophobicContact CB-CB 3.67Å; M809-A973 HydrophobicContact CG-CB 3.93Å; M809-A973 HydrophobicContact SD-CB 3.98Å; C969-A973 VanDerWaalsContact O-CB 3.27Å; C969-A973 WeakPolarHBondContact O-CB 3.27Å; C969-A973 PolarHBondContact O-N 3.22Å; V970-A973 WeakPolarHBondContact O-CB 3.34Å; V970-A973 PolarHBondContact O-N 3.41Å; A973-M1047 HydrophobicContact CB-CE 4Å |
| 974 | E | 80.8 | Confident | 81.8 | Confident | 41 Ų | 41 | 52.6 Ų | 52.6 | 19% | 0.192 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -121.5 | 6.2 | -165.1 | -62.2 | -173.4 | 178.3 | 0 | 0 | 114.4 | V970 G976 I977 Q979 Q1051 T1052 | V970-E974 PolarHBondContact O-N 3.13Å; E974-G976 PolarHBondContact O-N 3.41Å; E974-I977 PolarHBondContact O-N 2.99Å; E974-I977 VanDerWaalsContact O-N 3.1Å; E974-Q979 WeakPolarHBondContact OE2-CG 3.38Å; E974-Q979 PolarHBondContact OE2-NE2 3.49Å; E974-Q1051 WeakPolarHBondContact OE1-CA 3.09Å; E974-T1052 WeakPolarHBondContact OE2-CA 3.44Å; E974-T1052 WeakPolarHBondContact OE2-CB 3.45Å; E974-T1052 PolarHBondContact OE2-N 3.38Å; E974-T1052 PolarHBondContact OE2-OG1 2.91Å |
| 975 | Q | 78.4 | Confident | 82.3 | Confident | 79 Ų | 79 | 47.1 Ų | 47.1 | 37% | 0.369 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 17.6 | -179.6 | -48.3 | -55.9 | -58.1 | 0 | 0 | 114.5 | L971 E972 I977 | L971-Q975 VanDerWaalsContact O-CA 3.24Å; L971-Q975 WeakPolarHBondContact O-CA 3.24Å; L971-Q975 PolarHBondContact O-N 3.48Å; E972-Q975 PolarHBondContact O-NE2 3.17Å; Q975-I977 VanDerWaalsContact C-N 3.31Å; Q975-I977 HydrophobicContact CB-CD1 4.36Å; Q975-I977 HydrophobicContact CB-CG1 4.3Å; Q975-I977 PolarHBondContact O-N 2.8Å |
| 976 | G | 83.3 | Confident | 82.6 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 68 | 27.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114 | E974 A985 H986 | E974-G976 PolarHBondContact O-N 3.41Å; G976-A985 PolarHBondContact O-N 3.28Å; G976-H986 PolarHBondContact O-N 3.46Å |
| 977 | I | 86.8 | Confident | 82.7 | Confident | 60 Ų | 60 | 49.1 Ų | 49.1 | 31% | 0.308 | 26% | 0.26 | S | S | . | . | B | Isolated β-bridge | trans | -88.5 | 130.4 | 174 | -55.7 | 177.9 | 0 | 0 | 0 | 109.4 | E974 Q975 Q979 K984 T1052 | E974-I977 PolarHBondContact O-N 2.99Å; E974-I977 VanDerWaalsContact O-N 3.1Å; Q975-I977 VanDerWaalsContact C-N 3.31Å; Q975-I977 HydrophobicContact CB-CD1 4.36Å; Q975-I977 HydrophobicContact CB-CG1 4.3Å; Q975-I977 PolarHBondContact O-N 2.8Å; I977-Q979 PolarHBondContact O-N 3.16Å; I977-Q979 PolarHBondContact O-NE2 3.47Å; I977-K984 HydrophobicContact CG1-CG 4.26Å; I977-T1052 VanDerWaalsContact O-CB 3.3Å; I977-T1052 WeakPolarHBondContact O-CB 3.2Å; I977-T1052 WeakPolarHBondContact O-CG2 3.45Å |
| 978 | C | 88.6 | Confident | 82.9 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.007 | 26% | 0.258 | C | S | . | . | trans | -71 | 116.3 | 179 | -178.7 | 0 | 0 | 0 | 0 | 111.7 | H980 C981 G982 L983 C1054 | C978-H980 PolarHBondContact O-N 3.18Å; C978-H980 VanDerWaalsContact O-N 3.07Å; C978-C981 PolarHBondContact O-N 3.44Å; C978-G982 WeakPolarHBondContact O-CA 3.49Å; C978-G982 PolarHBondContact O-N 2.9Å; C978-L983 HydrophobicContact CB-CB 4.32Å; C978-L983 WeakPolarHBondContact CB-O 3.43Å; C978-L983 PolarHBondContact N-O 2.91Å; C978-C1054 HydrophobicContact CB-CB 3.93Å; C978-C1054 PolarHBondContact SG-N 3.41Å; C978-C1054 VanDerWaalsContact SG-SG 3.65Å | ||
| 979 | Q | 86.8 | Confident | 83.5 | Confident | 107 Ų | 107 | 45.7 Ų | 45.7 | 50% | 0.5 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -12 | -179.2 | -56.9 | -52.6 | -35 | 0 | 0 | 114.4 | E974 I977 Q1051 T1052 | E974-Q979 WeakPolarHBondContact OE2-CG 3.38Å; E974-Q979 PolarHBondContact OE2-NE2 3.49Å; I977-Q979 PolarHBondContact O-N 3.16Å; I977-Q979 PolarHBondContact O-NE2 3.47Å; Q979-Q1051 HydrophobicContact CG-CB 4.08Å; Q979-T1052 PolarHBondContact N-O 3.3Å |
| 980 | H | 84.8 | Confident | 83.9 | Confident | 130 Ų | 130 | 46 Ų | 46 | 60% | 0.602 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | -30.9 | 179.6 | -170.9 | -41.4 | 0 | 0 | 0 | 113.7 | C978 L1053 C1057 | C978-H980 PolarHBondContact O-N 3.18Å; C978-H980 VanDerWaalsContact O-N 3.07Å; H980-L1053 HydrophobicContact CB-CD2 3.59Å; H980-C1057 HydrophobicContact CB-CB 4.17Å |
| 981 | C | 86.2 | Confident | 84 | Confident | 45 Ų | 45 | 51 Ų | 51 | 30% | 0.304 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.2 | 8.7 | -174.7 | 70.9 | 0 | 0 | 0 | 0 | 115 | C978 L983 W1008 C1057 | C978-C981 PolarHBondContact O-N 3.44Å; C981-L983 PolarHBondContact O-N 3.14Å; C981-W1008 HydrophobicContact CB-CD2 4.46Å; C981-W1008 HydrophobicContact CB-CG 4.49Å; C981-C1057 VanDerWaalsContact SG-SG 3.66Å |
| 982 | G | 83 | Confident | 84.3 | Confident | 51 Ų | 51 | 49.1 Ų | 49.1 | 53% | 0.526 | 25% | 0.249 | S | C | . | . | trans | 68.1 | -7.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | C978 K984 | C978-G982 WeakPolarHBondContact O-CA 3.49Å; C978-G982 PolarHBondContact O-N 2.9Å; G982-K984 PolarHBondContact O-N 2.81Å; G982-K984 VanDerWaalsContact O-N 3.14Å | ||
| 983 | L | 87.9 | Confident | 85 | Confident | 34 Ų | 34 | 46.9 Ų | 46.9 | 18% | 0.178 | 24% | 0.237 | C | C | . | . | trans | -58 | 120 | 179.7 | -175.3 | 75.8 | 0 | 0 | 0 | 110.4 | C978 C981 A985 L988 W1008 L1009 C1054 | C978-L983 HydrophobicContact CB-CB 4.32Å; C978-L983 WeakPolarHBondContact CB-O 3.43Å; C978-L983 PolarHBondContact N-O 2.91Å; C981-L983 PolarHBondContact O-N 3.14Å; L983-A985 HydrophobicContact CD2-CB 4.24Å; L983-A985 PolarHBondContact O-N 3.31Å; L983-L988 HydrophobicContact CD1-CD2 4.32Å; L983-L988 HydrophobicContact CD2-CD2 4.22Å; L983-W1008 HydrophobicContact CD2-CB 4.37Å; L983-L1009 HydrophobicContact CD2-CD1 4.38Å; L983-L1009 HydrophobicContact CD2-CD2 4.14Å; L983-L1009 HydrophobicContact CD2-CG 3.88Å; L983-C1054 HydrophobicContact CD2-CB 3.95Å | ||
| 984 | K | 87.9 | Confident | 85.7 | Confident | 105 Ų | 105 | 47 Ų | 47 | 46% | 0.457 | 24% | 0.236 | S | C | . | . | B | Isolated β-bridge | trans | -70.8 | 69 | 170.2 | -57.4 | -174.2 | 179.2 | 176.2 | 0 | 111 | I977 G982 H986 E987 L988 | I977-K984 HydrophobicContact CG1-CG 4.26Å; G982-K984 PolarHBondContact O-N 2.81Å; G982-K984 VanDerWaalsContact O-N 3.14Å; K984-H986 VanDerWaalsContact C-N 3.32Å; K984-H986 PolarHBondContact O-N 3.17Å; K984-E987 HydrophobicContact CB-CB 3.78Å; K984-E987 HydrophobicContact CD-CB 4.28Å; K984-E987 WeakPolarHBondContact CD-OE2 3.49Å; K984-E987 WeakPolarHBondContact CE-OE2 3.24Å; K984-E987 IonicContact NZ-OE1 3.68Å; K984-E987 IonicContact NZ-OE2 3.91Å; K984-E987 PolarHBondContact NZ-OE2 3.22Å; K984-E987 PolarHBondContact O-N 3.32Å; K984-E987 VanDerWaalsContact O-N 3.07Å; K984-L988 PolarHBondContact O-N 2.91Å |
| 985 | A | 90.3 | Very high | 85.6 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.9 | -34 | -168.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | G976 L983 F989 F1029 W1030 C1054 | G976-A985 PolarHBondContact O-N 3.28Å; L983-A985 HydrophobicContact CD2-CB 4.24Å; L983-A985 PolarHBondContact O-N 3.31Å; A985-F989 PolarHBondContact O-N 2.92Å; A985-F1029 HydrophobicContact CB-CB 4.49Å; A985-W1030 HydrophobicContact CB-CB 3.82Å; A985-C1054 HydrophobicContact CB-CB 4Å |
| 986 | H | 87.3 | Confident | 85.4 | Confident | 28 Ų | 28 | 41.7 Ų | 41.7 | 13% | 0.13 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -72.6 | -38.1 | 172 | -177.5 | 96.6 | 0 | 0 | 0 | 112.4 | L971 G976 K984 L988 F989 L990 E1026 W1030 | L971-H986 HydrophobicContact CD1-CB 3.88Å; L971-H986 WeakPolarHBondContact CD1-ND1 3.19Å; G976-H986 PolarHBondContact O-N 3.46Å; K984-H986 VanDerWaalsContact C-N 3.32Å; K984-H986 PolarHBondContact O-N 3.17Å; H986-L988 VanDerWaalsContact C-N 3.28Å; H986-L988 PolarHBondContact O-N 3.08Å; H986-F989 WeakPolarHBondContact O-CB 3.48Å; H986-F989 PolarHBondContact O-N 2.95Å; H986-L990 WeakPolarHBondContact O-CG 3.46Å; H986-L990 PolarHBondContact O-N 3.38Å; H986-E1026 IonicContact CE1-OE1 3.68Å; H986-E1026 PolarHBondContact CE1-OE1 3Å; H986-E1026 IonicContact ND1-OE1 3.81Å; H986-E1026 PolarHBondContact ND1-OE1 3.42Å; H986-W1030 AromaticContact ND1-NE1 3.88Å |
| 987 | E | 85.2 | Confident | 85 | Confident | 72 Ų | 72 | 42.1 Ų | 42.1 | 34% | 0.336 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.1 | -37 | 172.8 | -161.4 | -166.3 | 111.1 | 0 | 0 | 111.4 | K984 L990 K991 | K984-E987 HydrophobicContact CB-CB 3.78Å; K984-E987 HydrophobicContact CD-CB 4.28Å; K984-E987 WeakPolarHBondContact CD-OE2 3.49Å; K984-E987 WeakPolarHBondContact CE-OE2 3.24Å; K984-E987 IonicContact NZ-OE1 3.68Å; K984-E987 IonicContact NZ-OE2 3.91Å; K984-E987 PolarHBondContact NZ-OE2 3.22Å; K984-E987 PolarHBondContact O-N 3.32Å; K984-E987 VanDerWaalsContact O-N 3.07Å; E987-L990 PolarHBondContact O-N 3.02Å; E987-K991 WeakPolarHBondContact O-CG 3.42Å; E987-K991 PolarHBondContact O-N 2.91Å; E987-K991 VanDerWaalsContact O-N 3.15Å; E987-K991 WeakPolarHBondContact OE1-CE 3.38Å; E987-K991 IonicContact OE1-NZ 2.83Å; E987-K991 PolarHBondContact OE1-NZ 3.47Å |
| 988 | L | 89.1 | Confident | 84.6 | Confident | 16 Ų | 16 | 42.3 Ų | 42.3 | 8% | 0.084 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.4 | -41.8 | 174.3 | -178.6 | 61.2 | 0 | 0 | 0 | 112.3 | L983 K984 H986 L990 K991 V992 I1003 T1007 L1009 F1029 | L983-L988 HydrophobicContact CD1-CD2 4.32Å; L983-L988 HydrophobicContact CD2-CD2 4.22Å; K984-L988 PolarHBondContact O-N 2.91Å; H986-L988 VanDerWaalsContact C-N 3.28Å; H986-L988 PolarHBondContact O-N 3.08Å; L988-L990 VanDerWaalsContact C-N 3.34Å; L988-L990 PolarHBondContact O-N 3.22Å; L988-K991 PolarHBondContact O-N 2.9Å; L988-V992 HydrophobicContact CD1-CG2 4.21Å; L988-V992 WeakPolarHBondContact O-CG2 3.39Å; L988-V992 PolarHBondContact O-N 3.41Å; L988-I1003 HydrophobicContact CD1-CG2 3.81Å; L988-T1007 HydrophobicContact CD1-CG2 4.04Å; L988-T1007 HydrophobicContact CD2-CG2 3.87Å; L988-L1009 HydrophobicContact CD2-CD1 3.74Å; L988-L1009 HydrophobicContact CD2-CG 4.29Å; L988-F1029 HydrophobicContact CB-CD1 4.39Å; L988-F1029 HydrophobicContact CD2-CD1 4.27Å; L988-F1029 HydrophobicContact CD2-CE1 4.48Å; L988-F1029 HydrophobicContact CG-CD1 4.04Å; L988-F1029 HydrophobicContact CG-CE1 4.04Å |
| 989 | F | 91.8 | Very high | 84.1 | Confident | 22 Ų | 22 | 45.6 Ų | 45.6 | 10% | 0.096 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -55 | -48.5 | 172.3 | 160.7 | -112.5 | 0 | 0 | 0 | 111.6 | A985 H986 K991 V992 R993 E1026 F1029 | A985-F989 PolarHBondContact O-N 2.92Å; H986-F989 WeakPolarHBondContact O-CB 3.48Å; H986-F989 PolarHBondContact O-N 2.95Å; F989-K991 PolarHBondContact O-N 3.41Å; F989-V992 PolarHBondContact O-N 2.87Å; F989-R993 HydrophobicContact CE2-CB 4.34Å; F989-R993 VanDerWaalsContact O-CB 3.26Å; F989-R993 WeakPolarHBondContact O-CB 3.46Å; F989-R993 PolarHBondContact O-N 3.1Å; F989-E1026 HydrophobicContact CD1-CB 4.28Å; F989-E1026 HydrophobicContact CD1-CG 4.05Å; F989-E1026 HydrophobicContact CD2-CB 4.47Å; F989-E1026 HydrophobicContact CE1-CB 4.06Å; F989-E1026 HydrophobicContact CE1-CG 4.19Å; F989-E1026 HydrophobicContact CE2-CB 4.27Å; F989-E1026 HydrophobicContact CG-CB 4.47Å; F989-E1026 HydrophobicContact CG-CG 4.4Å; F989-E1026 HydrophobicContact CZ-CB 4.06Å; F989-F1029 HydrophobicContact CB-CB 4.06Å; F989-F1029 HydrophobicContact CB-CD1 3.98Å; F989-F1029 HydrophobicContact CB-CD2 3.76Å; F989-F1029 HydrophobicContact CB-CE1 4.4Å; F989-F1029 HydrophobicContact CB-CE2 4.23Å; F989-F1029 HydrophobicContact CB-CG 3.65Å; F989-F1029 AromaticContact CD2-CD2 3.79Å; F989-F1029 HydrophobicContact CD2-CD2 3.79Å; F989-F1029 AromaticContact CD2-CE2 3.8Å; F989-F1029 HydrophobicContact CD2-CE2 3.8Å; F989-F1029 HydrophobicContact CG-CD2 4.2Å |
| 990 | L | 84.6 | Confident | 84.1 | Confident | 24 Ų | 24 | 41.3 Ų | 41.3 | 13% | 0.126 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.8 | -44.9 | 178.8 | -62.1 | 172.5 | 0 | 0 | 0 | 111.5 | E381 H986 E987 L988 R993 D994 | E381-L990 HydrophobicContact CG-CD1 4.35Å; E381-L990 WeakPolarHBondContact OE1-CD2 3.3Å; H986-L990 WeakPolarHBondContact O-CG 3.46Å; H986-L990 PolarHBondContact O-N 3.38Å; E987-L990 PolarHBondContact O-N 3.02Å; L988-L990 VanDerWaalsContact C-N 3.34Å; L988-L990 PolarHBondContact O-N 3.22Å; L990-R993 PolarHBondContact O-N 2.67Å; L990-D994 WeakPolarHBondContact O-CB 3.27Å; L990-D994 PolarHBondContact O-N 3.15Å |
| 991 | K | 84.6 | Confident | 84.1 | Confident | 107 Ų | 107 | 35.7 Ų | 35.7 | 47% | 0.465 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -61.2 | -44.3 | 176.6 | -71.3 | 174.1 | -172 | 173.4 | 0 | 112.8 | E987 L988 F989 A995 | E987-K991 WeakPolarHBondContact O-CG 3.42Å; E987-K991 PolarHBondContact O-N 2.91Å; E987-K991 VanDerWaalsContact O-N 3.15Å; E987-K991 WeakPolarHBondContact OE1-CE 3.38Å; E987-K991 IonicContact OE1-NZ 2.83Å; E987-K991 PolarHBondContact OE1-NZ 3.47Å; L988-K991 PolarHBondContact O-N 2.9Å; F989-K991 PolarHBondContact O-N 3.41Å; K991-A995 WeakPolarHBondContact O-CB 3.42Å; K991-A995 PolarHBondContact O-N 2.96Å; K991-A995 VanDerWaalsContact O-N 3.09Å |
| 992 | V | 86.6 | Confident | 84.1 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -71.2 | -37.4 | 179.5 | 177 | 0 | 0 | 0 | 0 | 111.5 | L988 F989 R1000 I1003 L1004 P1024 F1029 | L988-V992 HydrophobicContact CD1-CG2 4.21Å; L988-V992 WeakPolarHBondContact O-CG2 3.39Å; L988-V992 PolarHBondContact O-N 3.41Å; F989-V992 PolarHBondContact O-N 2.87Å; V992-R1000 HydrophobicContact CG1-CB 4.01Å; V992-R1000 HydrophobicContact CG1-CG 3.82Å; V992-R1000 WeakPolarHBondContact O-CD 3.36Å; V992-R1000 PolarHBondContact O-NE 3.05Å; V992-I1003 HydrophobicContact CG2-CB 4.28Å; V992-I1003 HydrophobicContact CG2-CG2 3.52Å; V992-L1004 HydrophobicContact CG2-CD2 4.01Å; V992-L1004 HydrophobicContact CG2-CG 4.11Å; V992-P1024 HydrophobicContact CG1-CB 4.06Å; V992-P1024 HydrophobicContact CG1-CG 4.26Å; V992-F1029 HydrophobicContact CB-CE1 4.1Å; V992-F1029 HydrophobicContact CB-CZ 3.82Å; V992-F1029 HydrophobicContact CG1-CZ 3.92Å; V992-F1029 HydrophobicContact CG2-CE1 3.94Å; V992-F1029 HydrophobicContact CG2-CZ 4.12Å |
| 993 | R | 86.1 | Confident | 84.2 | Confident | 48 Ų | 48 | 38.4 Ų | 38.4 | 18% | 0.181 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.2 | -49.4 | 174.6 | -176.4 | -163.9 | 71.1 | -158.9 | -9.3 | 111.7 | F989 L990 R1000 P1024 | F989-R993 HydrophobicContact CE2-CB 4.34Å; F989-R993 VanDerWaalsContact O-CB 3.26Å; F989-R993 WeakPolarHBondContact O-CB 3.46Å; F989-R993 PolarHBondContact O-N 3.1Å; L990-R993 PolarHBondContact O-N 2.67Å; R993-R1000 PolarHBondContact O-NH2 3.24Å; R993-P1024 HydrophobicContact CB-CG 4.38Å |
| 994 | D | 80.3 | Confident | 84.1 | Confident | 17 Ų | 17 | 36.8 Ų | 36.8 | 9% | 0.091 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -82.4 | -18.8 | -172.7 | -64.1 | -13.3 | 0 | 0 | 0 | 113 | Q357 L990 | Q357-D994 PolarHBondContact NE2-O 2.93Å; L990-D994 WeakPolarHBondContact O-CB 3.27Å; L990-D994 PolarHBondContact O-N 3.15Å |
| 995 | A | 78.9 | Confident | 84 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.008 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -74.2 | 148.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | K991 R1000 I1003 | K991-A995 WeakPolarHBondContact O-CB 3.42Å; K991-A995 PolarHBondContact O-N 2.96Å; K991-A995 VanDerWaalsContact O-N 3.09Å; A995-R1000 HydrophobicContact CB-CG 4.44Å; A995-R1000 PolarHBondContact O-NE 3.33Å; A995-R1000 PolarHBondContact O-NH2 2.86Å; A995-I1003 HydrophobicContact CB-CD1 3.56Å |
| 996 | P | 73.9 | Confident | 83.5 | Confident | 7 Ų | 7 | 41.2 Ų | 41.2 | 5% | 0.045 | 20% | 0.203 | C | C | . | . | trans | -60 | 147.1 | 167.7 | -18.7 | 30.6 | 0 | 0 | 0 | 112 | E361 S998 K999 R1000 | E361-P996 HydrophobicContact CG-CG 3.61Å; P996-S998 VanDerWaalsContact C-N 3.26Å; P996-S998 PolarHBondContact O-N 2.96Å; P996-S998 VanDerWaalsContact O-N 3.15Å; P996-K999 PolarHBondContact O-N 3.44Å; P996-R1000 PolarHBondContact O-N 3.25Å | ||
| 997 | A | 75.3 | Confident | 83.4 | Confident | 9 Ų | 9 | 41.2 Ų | 41.2 | 7% | 0.074 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -52.2 | -41.1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | K999 R1000 | A997-K999 PolarHBondContact O-N 2.85Å; A997-R1000 WeakPolarHBondContact O-CB 3.42Å; A997-R1000 PolarHBondContact O-N 3.35Å; A997-R1000 VanDerWaalsContact O-N 3.08Å |
| 998 | S | 76.6 | Confident | 83.3 | Confident | 64 Ų | 64 | 43.3 Ų | 43.3 | 45% | 0.448 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -58 | -26.5 | 177.5 | 49.3 | 0 | 0 | 0 | 0 | 114.7 | P996 | P996-S998 VanDerWaalsContact C-N 3.26Å; P996-S998 PolarHBondContact O-N 2.96Å; P996-S998 VanDerWaalsContact O-N 3.15Å |
| 999 | K | 78.6 | Confident | 83.2 | Confident | 71 Ų | 71 | 42.5 Ų | 42.5 | 31% | 0.309 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -97.3 | -7.6 | 177.2 | -67.7 | -138.4 | 172 | -150.9 | 0 | 114.3 | I364 P996 A997 K1001 E1002 I1003 | I364-K999 HydrophobicContact CG2-CD 3.77Å; P996-K999 PolarHBondContact O-N 3.44Å; A997-K999 PolarHBondContact O-N 2.85Å; K999-K1001 VanDerWaalsContact C-N 3.28Å; K999-K1001 PolarHBondContact O-N 2.92Å; K999-E1002 IonicContact NZ-OE2 2.93Å; K999-E1002 PolarHBondContact O-N 2.89Å; K999-I1003 HydrophobicContact CB-CD1 4.35Å; K999-I1003 WeakPolarHBondContact O-CD1 3.33Å; K999-I1003 VanDerWaalsContact O-CG1 3.26Å; K999-I1003 WeakPolarHBondContact O-CG1 3.47Å; K999-I1003 PolarHBondContact O-N 3.08Å |
| 1000 | R | 87.2 | Confident | 82.8 | Confident | 17 Ų | 17 | 42 Ų | 42 | 6% | 0.064 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.4 | -28.7 | -177.3 | -66.5 | -179 | -175.4 | 153.5 | 4.1 | 112.6 | V992 R993 A995 P996 A997 L1004 I1021 R1022 | V992-R1000 HydrophobicContact CG1-CB 4.01Å; V992-R1000 HydrophobicContact CG1-CG 3.82Å; V992-R1000 WeakPolarHBondContact O-CD 3.36Å; V992-R1000 PolarHBondContact O-NE 3.05Å; R993-R1000 PolarHBondContact O-NH2 3.24Å; A995-R1000 HydrophobicContact CB-CG 4.44Å; A995-R1000 PolarHBondContact O-NE 3.33Å; A995-R1000 PolarHBondContact O-NH2 2.86Å; P996-R1000 PolarHBondContact O-N 3.25Å; A997-R1000 WeakPolarHBondContact O-CB 3.42Å; A997-R1000 PolarHBondContact O-N 3.35Å; A997-R1000 VanDerWaalsContact O-N 3.08Å; R1000-L1004 WeakPolarHBondContact O-CB 3.26Å; R1000-L1004 WeakPolarHBondContact O-CD1 3.43Å; R1000-L1004 VanDerWaalsContact O-CG 3.25Å; R1000-L1004 WeakPolarHBondContact O-CG 3.45Å; R1000-L1004 PolarHBondContact O-N 3.05Å; R1000-I1021 HydrophobicContact CB-CB 4.34Å; R1000-I1021 HydrophobicContact CB-CG1 3.99Å; R1000-I1021 HydrophobicContact CB-CG2 4.24Å; R1000-I1021 WeakPolarHBondContact CD-O 3.46Å; R1000-I1021 PolarHBondContact NH1-O 3.25Å; R1000-R1022 PolarHBondContact NH1-O 2.96Å |
| 1001 | K | 85.8 | Confident | 82.8 | Confident | 12 Ų | 12 | 45.9 Ų | 45.9 | 5% | 0.052 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.2 | -59.6 | 172.6 | -174.9 | -176.6 | 175.1 | 173.6 | 0 | 111.3 | D519 D520 F522 F523 E527 K999 I1003 L1004 E1005 I1021 | D519-K1001 PolarHBondContact O-NZ 3.16Å; D520-K1001 WeakPolarHBondContact O-CD 3.47Å; D520-K1001 PolarHBondContact O-NZ 2.9Å; D520-K1001 VanDerWaalsContact O-NZ 3.17Å; F522-K1001 WeakPolarHBondContact O-CE 3.29Å; F522-K1001 PolarHBondContact O-NZ 3.11Å; F523-K1001 HydrophobicContact CD2-CG 4.33Å; F523-K1001 HydrophobicContact CE2-CG 4.23Å; E527-K1001 VanDerWaalsContact CD-NZ 3.34Å; E527-K1001 WeakPolarHBondContact OE1-CE 3.15Å; E527-K1001 IonicContact OE1-NZ 3.63Å; E527-K1001 PolarHBondContact OE1-NZ 2.88Å; E527-K1001 IonicContact OE2-NZ 2.69Å; E527-K1001 PolarHBondContact OE2-NZ 3.22Å; K999-K1001 VanDerWaalsContact C-N 3.28Å; K999-K1001 PolarHBondContact O-N 2.92Å; K1001-I1003 VanDerWaalsContact C-N 3.25Å; K1001-I1003 PolarHBondContact O-N 3.06Å; K1001-L1004 WeakPolarHBondContact O-CA 3.47Å; K1001-L1004 PolarHBondContact O-N 3.46Å; K1001-E1005 WeakPolarHBondContact CE-OE1 3.3Å; K1001-E1005 HydrophobicContact CG-CG 4.17Å; K1001-E1005 WeakPolarHBondContact CG-OE1 3.4Å; K1001-E1005 WeakPolarHBondContact O-CG 3.31Å; K1001-E1005 PolarHBondContact O-N 2.88Å; K1001-I1021 HydrophobicContact CB-CD1 4.03Å |
| 1002 | E | 84.6 | Confident | 82.9 | Confident | 103 Ų | 103 | 41 Ų | 41 | 48% | 0.481 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -47.9 | -44.5 | 176.6 | -178.1 | -172 | -170.2 | 0 | 0 | 112.7 | K999 L1004 N1006 | K999-E1002 IonicContact NZ-OE2 2.93Å; K999-E1002 PolarHBondContact O-N 2.89Å; E1002-L1004 VanDerWaalsContact C-N 3.34Å; E1002-L1004 PolarHBondContact O-N 3.32Å; E1002-N1006 PolarHBondContact O-ND2 3.03Å |
| 1003 | I | 85.1 | Confident | 82.9 | Confident | 49 Ų | 49 | 44.4 Ų | 44.4 | 25% | 0.251 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -69.4 | -27.9 | 179.8 | -64.7 | 165.8 | 0 | 0 | 0 | 112.5 | L988 V992 A995 K999 K1001 T1007 | L988-I1003 HydrophobicContact CD1-CG2 3.81Å; V992-I1003 HydrophobicContact CG2-CB 4.28Å; V992-I1003 HydrophobicContact CG2-CG2 3.52Å; A995-I1003 HydrophobicContact CB-CD1 3.56Å; K999-I1003 HydrophobicContact CB-CD1 4.35Å; K999-I1003 WeakPolarHBondContact O-CD1 3.33Å; K999-I1003 VanDerWaalsContact O-CG1 3.26Å; K999-I1003 WeakPolarHBondContact O-CG1 3.47Å; K999-I1003 PolarHBondContact O-N 3.08Å; K1001-I1003 VanDerWaalsContact C-N 3.25Å; K1001-I1003 PolarHBondContact O-N 3.06Å; I1003-T1007 WeakPolarHBondContact O-CG2 3.43Å |
| 1004 | L | 87.4 | Confident | 82.7 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -91.6 | -35.2 | -179.3 | -74.2 | 172.5 | 0 | 0 | 0 | 113.3 | F523 V992 R1000 K1001 E1002 N1006 T1007 M1020 I1021 F1029 | F523-L1004 HydrophobicContact CE2-CB 4.06Å; F523-L1004 HydrophobicContact CE2-CD1 4.49Å; F523-L1004 HydrophobicContact CZ-CB 3.93Å; V992-L1004 HydrophobicContact CG2-CD2 4.01Å; V992-L1004 HydrophobicContact CG2-CG 4.11Å; R1000-L1004 WeakPolarHBondContact O-CB 3.26Å; R1000-L1004 WeakPolarHBondContact O-CD1 3.43Å; R1000-L1004 VanDerWaalsContact O-CG 3.25Å; R1000-L1004 WeakPolarHBondContact O-CG 3.45Å; R1000-L1004 PolarHBondContact O-N 3.05Å; K1001-L1004 WeakPolarHBondContact O-CA 3.47Å; K1001-L1004 PolarHBondContact O-N 3.46Å; E1002-L1004 VanDerWaalsContact C-N 3.34Å; E1002-L1004 PolarHBondContact O-N 3.32Å; L1004-N1006 VanDerWaalsContact C-N 3.32Å; L1004-N1006 PolarHBondContact O-N 2.98Å; L1004-T1007 WeakPolarHBondContact O-CB 3.31Å; L1004-T1007 PolarHBondContact O-N 3.4Å; L1004-T1007 PolarHBondContact O-OG1 3.37Å; L1004-M1020 HydrophobicContact CD1-CB 4.07Å; L1004-M1020 HydrophobicContact CD1-CE 4.3Å; L1004-M1020 HydrophobicContact CD2-CE 3.64Å; L1004-I1021 HydrophobicContact CD1-CG1 4.04Å; L1004-F1029 HydrophobicContact CD2-CE1 3.92Å; L1004-F1029 HydrophobicContact CD2-CZ 4.44Å |
| 1005 | E | 84.1 | Confident | 82.9 | Confident | 58 Ų | 58 | 50.3 Ų | 50.3 | 27% | 0.271 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -54.6 | -45.4 | -178.2 | -78.4 | 171.9 | 151.2 | 0 | 0 | 112.6 | F523 K1001 T1007 | F523-E1005 HydrophobicContact CD1-CG 4.38Å; F523-E1005 HydrophobicContact CE1-CB 4.43Å; F523-E1005 HydrophobicContact CE1-CG 3.45Å; F523-E1005 VanDerWaalsContact CE1-CG 3.45Å; F523-E1005 HydrophobicContact CZ-CB 4.43Å; F523-E1005 HydrophobicContact CZ-CG 3.58Å; K1001-E1005 WeakPolarHBondContact CE-OE1 3.3Å; K1001-E1005 HydrophobicContact CG-CG 4.17Å; K1001-E1005 WeakPolarHBondContact CG-OE1 3.4Å; K1001-E1005 WeakPolarHBondContact O-CG 3.31Å; K1001-E1005 PolarHBondContact O-N 2.88Å; E1005-T1007 PolarHBondContact O-N 2.7Å |
| 1006 | N | 79.9 | Confident | 83.2 | Confident | 141 Ų | 141 | 51.4 Ų | 51.4 | 75% | 0.754 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | 26.8 | -176.9 | -64.1 | -75.3 | 0 | 0 | 0 | 113.1 | E1002 L1004 | E1002-N1006 PolarHBondContact O-ND2 3.03Å; L1004-N1006 VanDerWaalsContact C-N 3.32Å; L1004-N1006 PolarHBondContact O-N 2.98Å |
| 1007 | T | 85.5 | Confident | 83.7 | Confident | 27 Ų | 27 | 51.1 Ų | 51.1 | 17% | 0.166 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -133.3 | 158.5 | -174.8 | 78.5 | 0 | 0 | 0 | 0 | 113.1 | L988 I1003 L1004 E1005 L1009 A1010 | L988-T1007 HydrophobicContact CD1-CG2 4.04Å; L988-T1007 HydrophobicContact CD2-CG2 3.87Å; I1003-T1007 WeakPolarHBondContact O-CG2 3.43Å; L1004-T1007 WeakPolarHBondContact O-CB 3.31Å; L1004-T1007 PolarHBondContact O-N 3.4Å; L1004-T1007 PolarHBondContact O-OG1 3.37Å; E1005-T1007 PolarHBondContact O-N 2.7Å; T1007-L1009 PolarHBondContact O-N 2.9Å; T1007-L1009 PolarHBondContact OG1-N 3.16Å; T1007-A1010 WeakPolarHBondContact O-CB 3.29Å; T1007-A1010 PolarHBondContact O-N 3.49Å |
| 1008 | W | 82.6 | Confident | 84.2 | Confident | 116 Ų | 116 | 52.1 Ų | 52.1 | 44% | 0.439 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -58.5 | -13.1 | 174 | -168.8 | -96.2 | 0 | 0 | 0 | 114 | C981 L983 Q1011 C1057 | C981-W1008 HydrophobicContact CB-CD2 4.46Å; C981-W1008 HydrophobicContact CB-CG 4.49Å; L983-W1008 HydrophobicContact CD2-CB 4.37Å; W1008-Q1011 VanDerWaalsContact CE3-NE2 3.34Å; W1008-Q1011 VanDerWaalsContact CH2-NE2 3.28Å; W1008-C1057 PolarHBondContact NE1-SG 2.91Å |
| 1009 | L | 87.5 | Confident | 84.6 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -79 | -17.3 | 174.5 | -61 | -176.3 | 0 | 0 | 0 | 113.6 | L983 L988 T1007 Q1011 L1012 M1020 F1029 C1054 A1056 | L983-L1009 HydrophobicContact CD2-CD1 4.38Å; L983-L1009 HydrophobicContact CD2-CD2 4.14Å; L983-L1009 HydrophobicContact CD2-CG 3.88Å; L988-L1009 HydrophobicContact CD2-CD1 3.74Å; L988-L1009 HydrophobicContact CD2-CG 4.29Å; T1007-L1009 PolarHBondContact O-N 2.9Å; T1007-L1009 PolarHBondContact OG1-N 3.16Å; L1009-Q1011 PolarHBondContact O-N 2.81Å; L1009-L1012 HydrophobicContact CB-CD1 4.2Å; L1009-L1012 HydrophobicContact CD2-CD1 4.24Å; L1009-L1012 VanDerWaalsContact O-CB 3.23Å; L1009-L1012 WeakPolarHBondContact O-CB 3.44Å; L1009-L1012 WeakPolarHBondContact O-CG 3.23Å; L1009-L1012 PolarHBondContact O-N 3.05Å; L1009-M1020 HydrophobicContact CD1-CE 3.77Å; L1009-F1029 HydrophobicContact CD1-CB 4.29Å; L1009-F1029 HydrophobicContact CD1-CD1 3.55Å; L1009-F1029 HydrophobicContact CD1-CE1 4.2Å; L1009-F1029 HydrophobicContact CD1-CG 4.18Å; L1009-C1054 HydrophobicContact CD2-CB 4.08Å; L1009-A1056 HydrophobicContact CD2-CB 4.37Å |
| 1010 | A | 83.7 | Confident | 85.1 | Confident | 10 Ų | 10 | 49.8 Ų | 49.8 | 8% | 0.083 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -58 | -20.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | K528 T1007 L1012 | K528-A1010 PolarHBondContact NZ-O 3.31Å; T1007-A1010 WeakPolarHBondContact O-CB 3.29Å; T1007-A1010 PolarHBondContact O-N 3.49Å; A1010-L1012 PolarHBondContact O-N 3.13Å |
| 1011 | Q | 83.6 | Confident | 85 | Confident | 107 Ų | 107 | 49 Ų | 49 | 50% | 0.5 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -62.5 | -21 | 172.1 | -62.5 | 177.8 | 7.9 | 0 | 0 | 113.3 | K528 W1008 L1009 | K528-Q1011 PolarHBondContact NZ-O 2.98Å; W1008-Q1011 VanDerWaalsContact CE3-NE2 3.34Å; W1008-Q1011 VanDerWaalsContact CH2-NE2 3.28Å; L1009-Q1011 PolarHBondContact O-N 2.81Å |
| 1012 | L | 87.1 | Confident | 84.8 | Confident | 5 Ų | 5 | 56.1 Ų | 56.1 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -63.8 | 160.2 | -178.1 | -67.8 | 177.1 | 0 | 0 | 0 | 113.4 | K528 L1009 A1010 L1017 M1020 T1055 A1056 K1059 | K528-L1012 PolarHBondContact NZ-O 2.99Å; L1009-L1012 HydrophobicContact CB-CD1 4.2Å; L1009-L1012 HydrophobicContact CD2-CD1 4.24Å; L1009-L1012 VanDerWaalsContact O-CB 3.23Å; L1009-L1012 WeakPolarHBondContact O-CB 3.44Å; L1009-L1012 WeakPolarHBondContact O-CG 3.23Å; L1009-L1012 PolarHBondContact O-N 3.05Å; A1010-L1012 PolarHBondContact O-N 3.13Å; L1012-L1017 HydrophobicContact CB-CD2 4.26Å; L1012-L1017 HydrophobicContact CB-CG 4.15Å; L1012-M1020 HydrophobicContact CD1-SD 3.95Å; L1012-T1055 HydrophobicContact CD1-CG2 4.39Å; L1012-T1055 HydrophobicContact CD2-CG2 3.95Å; L1012-A1056 HydrophobicContact CD2-CB 4.35Å; L1012-K1059 HydrophobicContact CD2-CD 3.9Å |
| 1013 | P | 86.1 | Confident | 84.7 | Confident | 70 Ų | 70 | 54.3 Ų | 54.3 | 46% | 0.455 | 27% | 0.268 | S | S | . | . | trans | -61.5 | 141.9 | 175.4 | -21.8 | 34 | 0 | 0 | 0 | 112 | K1015 Q1016 L1017 | P1013-K1015 PolarHBondContact O-N 3.49Å; P1013-K1015 VanDerWaalsContact O-N 3.14Å; P1013-Q1016 PolarHBondContact O-N 3.4Å; P1013-L1017 PolarHBondContact O-N 3.22Å; P1013-L1017 VanDerWaalsContact O-N 3.14Å | ||
| 1014 | L | 82.7 | Confident | 84.9 | Confident | 39 Ų | 39 | 53 Ų | 53 | 20% | 0.204 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -48.6 | -43.6 | -178.7 | -69.8 | 168.7 | 0 | 0 | 0 | 113.2 | F523 S524 Y525 K528 Q1016 L1017 N1018 | F523-L1014 HydrophobicContact CB-CD2 3.61Å; S524-L1014 WeakPolarHBondContact O-CD2 3.5Å; Y525-L1014 HydrophobicContact CD2-CD1 4Å; K528-L1014 HydrophobicContact CB-CD2 3.95Å; K528-L1014 HydrophobicContact CD-CD1 4.46Å; K528-L1014 HydrophobicContact CD-CD2 3.9Å; K528-L1014 HydrophobicContact CD-CG 3.87Å; L1014-Q1016 VanDerWaalsContact C-N 3.33Å; L1014-Q1016 PolarHBondContact O-N 3.4Å; L1014-L1017 PolarHBondContact O-N 3.43Å; L1014-N1018 WeakPolarHBondContact O-CB 3.21Å; L1014-N1018 PolarHBondContact O-N 3.47Å; L1014-N1018 PolarHBondContact O-ND2 2.95Å |
| 1015 | K | 83.9 | Confident | 84.9 | Confident | 151 Ų | 151 | 57.2 Ų | 57.2 | 66% | 0.657 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -55.2 | -46.1 | 176.5 | 178 | 169.8 | 173.3 | 171.2 | 0 | 112.2 | P1013 N1018 E1019 | P1013-K1015 PolarHBondContact O-N 3.49Å; P1013-K1015 VanDerWaalsContact O-N 3.14Å; K1015-N1018 PolarHBondContact O-N 3.15Å; K1015-E1019 WeakPolarHBondContact CE-OE1 3.36Å; K1015-E1019 IonicContact NZ-OE1 3.81Å; K1015-E1019 WeakPolarHBondContact O-CB 3.45Å; K1015-E1019 VanDerWaalsContact O-CG 3.25Å; K1015-E1019 WeakPolarHBondContact O-CG 3.35Å; K1015-E1019 PolarHBondContact O-N 3.23Å |
| 1016 | Q | 85.2 | Confident | 85.1 | Confident | 24 Ų | 24 | 56.6 Ų | 56.6 | 11% | 0.112 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -71.6 | -37.7 | -179.2 | -168.9 | 174.3 | 18.4 | 0 | 0 | 112 | P1013 L1014 N1018 E1019 M1020 D1028 | P1013-Q1016 PolarHBondContact O-N 3.4Å; L1014-Q1016 VanDerWaalsContact C-N 3.33Å; L1014-Q1016 PolarHBondContact O-N 3.4Å; Q1016-N1018 VanDerWaalsContact C-N 3.31Å; Q1016-N1018 PolarHBondContact O-N 2.64Å; Q1016-E1019 PolarHBondContact O-N 3.08Å; Q1016-M1020 HydrophobicContact CG-SD 4.27Å; Q1016-M1020 WeakPolarHBondContact O-CG 3.23Å; Q1016-M1020 PolarHBondContact O-N 3.17Å; Q1016-D1028 PolarHBondContact NE2-OD1 3.41Å |
| 1017 | L | 85.7 | Confident | 85.4 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.3 | -41.8 | 174 | -70.8 | 169.3 | 0 | 0 | 0 | 111.6 | F523 L1012 P1013 L1014 M1020 I1021 | F523-L1017 HydrophobicContact CD1-CD1 4Å; F523-L1017 HydrophobicContact CD2-CB 3.63Å; F523-L1017 HydrophobicContact CD2-CD1 4.15Å; F523-L1017 HydrophobicContact CD2-CG 4.37Å; F523-L1017 HydrophobicContact CE1-CD1 4.03Å; F523-L1017 HydrophobicContact CE2-CB 3.85Å; F523-L1017 HydrophobicContact CE2-CD1 4.2Å; F523-L1017 HydrophobicContact CE2-CD2 4.16Å; F523-L1017 HydrophobicContact CE2-CG 4.29Å; F523-L1017 HydrophobicContact CG-CB 4.2Å; F523-L1017 HydrophobicContact CG-CD1 4.05Å; F523-L1017 HydrophobicContact CZ-CD1 4.13Å; F523-L1017 HydrophobicContact CZ-CD2 4.25Å; L1012-L1017 HydrophobicContact CB-CD2 4.26Å; L1012-L1017 HydrophobicContact CB-CG 4.15Å; P1013-L1017 PolarHBondContact O-N 3.22Å; P1013-L1017 VanDerWaalsContact O-N 3.14Å; L1014-L1017 PolarHBondContact O-N 3.43Å; L1017-M1020 HydrophobicContact CD2-SD 4.42Å; L1017-M1020 WeakPolarHBondContact O-CB 3.35Å; L1017-M1020 PolarHBondContact O-N 2.78Å; L1017-I1021 WeakPolarHBondContact O-CG1 3.17Å; L1017-I1021 PolarHBondContact O-N 2.9Å |
| 1018 | N | 85.8 | Confident | 85.6 | Confident | 30 Ų | 30 | 51 Ų | 51 | 16% | 0.16 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -74.5 | -28.2 | 178.5 | -66.2 | -17.9 | 0 | 0 | 0 | 112.4 | F522 F523 L1014 K1015 Q1016 R1022 | F522-N1018 HydrophobicContact CD1-CB 3.8Å; F522-N1018 HydrophobicContact CE1-CB 4.4Å; F523-N1018 PolarHBondContact N-OD1 3.09Å; F523-N1018 PolarHBondContact O-ND2 2.99Å; F523-N1018 VanDerWaalsContact O-ND2 3.09Å; L1014-N1018 WeakPolarHBondContact O-CB 3.21Å; L1014-N1018 PolarHBondContact O-N 3.47Å; L1014-N1018 PolarHBondContact O-ND2 2.95Å; K1015-N1018 PolarHBondContact O-N 3.15Å; Q1016-N1018 VanDerWaalsContact C-N 3.31Å; Q1016-N1018 PolarHBondContact O-N 2.64Å; N1018-R1022 WeakPolarHBondContact O-CG 3.26Å; N1018-R1022 PolarHBondContact O-N 2.86Å; N1018-R1022 VanDerWaalsContact O-N 3.14Å |
| 1019 | E | 85.3 | Confident | 86.1 | Confident | 87 Ų | 87 | 45.4 Ų | 45.4 | 41% | 0.407 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.8 | -45 | 166.6 | -75 | 163 | 165 | 0 | 0 | 111.3 | K1015 Q1016 I1021 R1022 A1023 | K1015-E1019 WeakPolarHBondContact CE-OE1 3.36Å; K1015-E1019 IonicContact NZ-OE1 3.81Å; K1015-E1019 WeakPolarHBondContact O-CB 3.45Å; K1015-E1019 VanDerWaalsContact O-CG 3.25Å; K1015-E1019 WeakPolarHBondContact O-CG 3.35Å; K1015-E1019 PolarHBondContact O-N 3.23Å; Q1016-E1019 PolarHBondContact O-N 3.08Å; E1019-I1021 VanDerWaalsContact C-N 3.29Å; E1019-I1021 PolarHBondContact O-N 3.39Å; E1019-R1022 PolarHBondContact O-N 2.7Å; E1019-A1023 PolarHBondContact O-N 3.37Å |
| 1020 | M | 88.1 | Confident | 86.4 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.3 | -31.2 | 175.2 | -69.2 | 163.7 | 70.1 | 0 | 0 | 113.4 | L1004 L1009 L1012 Q1016 L1017 P1024 D1028 F1029 | L1004-M1020 HydrophobicContact CD1-CB 4.07Å; L1004-M1020 HydrophobicContact CD1-CE 4.3Å; L1004-M1020 HydrophobicContact CD2-CE 3.64Å; L1009-M1020 HydrophobicContact CD1-CE 3.77Å; L1012-M1020 HydrophobicContact CD1-SD 3.95Å; Q1016-M1020 HydrophobicContact CG-SD 4.27Å; Q1016-M1020 WeakPolarHBondContact O-CG 3.23Å; Q1016-M1020 PolarHBondContact O-N 3.17Å; L1017-M1020 HydrophobicContact CD2-SD 4.42Å; L1017-M1020 WeakPolarHBondContact O-CB 3.35Å; L1017-M1020 PolarHBondContact O-N 2.78Å; M1020-P1024 WeakPolarHBondContact O-CB 3.3Å; M1020-P1024 WeakPolarHBondContact O-CD 3.44Å; M1020-D1028 HydrophobicContact CE-CB 4.46Å; M1020-D1028 HydrophobicContact CG-CB 3.49Å; M1020-D1028 VanDerWaalsContact CG-CB 3.49Å; M1020-D1028 HydrophobicContact SD-CB 3.92Å; M1020-F1029 HydrophobicContact CE-CD1 3.9Å; M1020-F1029 HydrophobicContact CE-CD2 4.18Å; M1020-F1029 HydrophobicContact CE-CE1 3.56Å; M1020-F1029 HydrophobicContact CE-CE2 3.85Å; M1020-F1029 HydrophobicContact CE-CG 4.19Å; M1020-F1029 HydrophobicContact CE-CZ 3.53Å; M1020-F1029 HydrophobicContact CG-CE2 4.41Å |
| 1021 | I | 85.9 | Confident | 86.8 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -71.2 | -44 | 173.2 | -70.9 | 164.8 | 0 | 0 | 0 | 110.8 | I521 F522 F523 R1000 K1001 L1004 L1017 E1019 | I521-I1021 HydrophobicContact CG2-CG2 4.39Å; F522-I1021 HydrophobicContact CD1-CB 4.25Å; F522-I1021 HydrophobicContact CD1-CD1 4.26Å; F522-I1021 HydrophobicContact CD1-CG2 3.95Å; F522-I1021 HydrophobicContact CE1-CB 4.06Å; F522-I1021 HydrophobicContact CE1-CG2 3.59Å; F522-I1021 HydrophobicContact CZ-CG2 4.45Å; F523-I1021 HydrophobicContact CD2-CD1 3.69Å; F523-I1021 HydrophobicContact CE2-CD1 3.85Å; R1000-I1021 HydrophobicContact CB-CB 4.34Å; R1000-I1021 HydrophobicContact CB-CG1 3.99Å; R1000-I1021 HydrophobicContact CB-CG2 4.24Å; R1000-I1021 WeakPolarHBondContact CD-O 3.46Å; R1000-I1021 PolarHBondContact NH1-O 3.25Å; K1001-I1021 HydrophobicContact CB-CD1 4.03Å; L1004-I1021 HydrophobicContact CD1-CG1 4.04Å; L1017-I1021 WeakPolarHBondContact O-CG1 3.17Å; L1017-I1021 PolarHBondContact O-N 2.9Å; E1019-I1021 VanDerWaalsContact C-N 3.29Å; E1019-I1021 PolarHBondContact O-N 3.39Å |
| 1022 | R | 81.3 | Confident | 87.1 | Confident | 160 Ų | 160 | 43 Ų | 43 | 60% | 0.604 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -67.5 | -56.2 | -179 | -70.5 | 171.1 | -174.8 | -158.7 | -3 | 112 | F522 R1000 N1018 E1019 | F522-R1022 HydrophobicContact CE1-CG 3.76Å; F522-R1022 HydrophobicContact CZ-CG 3.89Å; R1000-R1022 PolarHBondContact NH1-O 2.96Å; N1018-R1022 WeakPolarHBondContact O-CG 3.26Å; N1018-R1022 PolarHBondContact O-N 2.86Å; N1018-R1022 VanDerWaalsContact O-N 3.14Å; E1019-R1022 PolarHBondContact O-N 2.7Å |
| 1023 | A | 83 | Confident | 87.2 | Confident | 65 Ų | 65 | 43.1 Ų | 43.1 | 54% | 0.537 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -144.4 | 81.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | E1019 V1025 | E1019-A1023 PolarHBondContact O-N 3.37Å; A1023-V1025 PolarHBondContact O-N 3.14Å; A1023-V1025 VanDerWaalsContact O-N 3.14Å |
| 1024 | P | 87.9 | Confident | 87.3 | Confident | 22 Ų | 22 | 40 Ų | 40 | 14% | 0.143 | 21% | 0.206 | C | C | . | . | trans | -62.3 | 117 | -178.2 | 22.8 | -31.7 | 0 | 0 | 0 | 111.2 | V992 R993 M1020 F1029 | V992-P1024 HydrophobicContact CG1-CB 4.06Å; V992-P1024 HydrophobicContact CG1-CG 4.26Å; R993-P1024 HydrophobicContact CB-CG 4.38Å; M1020-P1024 WeakPolarHBondContact O-CB 3.3Å; M1020-P1024 WeakPolarHBondContact O-CD 3.44Å; P1024-F1029 HydrophobicContact CB-CE2 3.88Å; P1024-F1029 HydrophobicContact CB-CZ 4.13Å | ||
| 1025 | V | 88.6 | Confident | 87.3 | Confident | 89 Ų | 89 | 42 Ų | 42 | 54% | 0.539 | 22% | 0.217 | S | C | . | . | trans | -106.1 | 142.3 | 171.6 | -174.1 | 0 | 0 | 0 | 0 | 109 | A1023 G1027 D1028 F1029 | A1023-V1025 PolarHBondContact O-N 3.14Å; A1023-V1025 VanDerWaalsContact O-N 3.14Å; V1025-G1027 PolarHBondContact O-N 3.42Å; V1025-D1028 WeakPolarHBondContact O-CB 3.19Å; V1025-D1028 PolarHBondContact O-N 2.7Å; V1025-F1029 WeakPolarHBondContact O-CD2 3.34Å | ||
| 1026 | E | 87.5 | Confident | 87.2 | Confident | 44 Ų | 44 | 41.1 Ų | 41.1 | 21% | 0.206 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -53.3 | -35.6 | -176.7 | -167.6 | -163.3 | -143.6 | 0 | 0 | 113.3 | R967 H986 F989 D1028 F1029 W1030 | R967-E1026 IonicContact CZ-OE2 3.68Å; R967-E1026 IonicContact NE-OE2 2.7Å; R967-E1026 IonicContact NH2-OE2 3.92Å; R967-E1026 PolarHBondContact NH2-OE2 3.27Å; H986-E1026 IonicContact CE1-OE1 3.68Å; H986-E1026 PolarHBondContact CE1-OE1 3Å; H986-E1026 IonicContact ND1-OE1 3.81Å; H986-E1026 PolarHBondContact ND1-OE1 3.42Å; F989-E1026 HydrophobicContact CD1-CB 4.28Å; F989-E1026 HydrophobicContact CD1-CG 4.05Å; F989-E1026 HydrophobicContact CD2-CB 4.47Å; F989-E1026 HydrophobicContact CE1-CB 4.06Å; F989-E1026 HydrophobicContact CE1-CG 4.19Å; F989-E1026 HydrophobicContact CE2-CB 4.27Å; F989-E1026 HydrophobicContact CG-CB 4.47Å; F989-E1026 HydrophobicContact CG-CG 4.4Å; F989-E1026 HydrophobicContact CZ-CB 4.06Å; E1026-D1028 PolarHBondContact O-N 3.1Å; E1026-F1029 PolarHBondContact O-N 2.89Å; E1026-F1029 VanDerWaalsContact O-N 3.16Å; E1026-W1030 HydrophobicContact CG-CZ2 4.47Å; E1026-W1030 PolarHBondContact O-N 2.93Å; E1026-W1030 WeakPolarHBondContact OE1-CZ2 3.28Å; E1026-W1030 PolarHBondContact OE1-NE1 3.01Å; E1026-W1030 WeakPolarHBondContact OE2-CZ2 3.45Å |
| 1027 | G | 86.8 | Confident | 87.2 | Confident | 19 Ų | 19 | 40.8 Ų | 40.8 | 20% | 0.196 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.6 | -18.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | V1025 Q1031 | V1025-G1027 PolarHBondContact O-N 3.42Å; G1027-Q1031 PolarHBondContact O-NE2 2.92Å |
| 1028 | D | 89.6 | Confident | 87.1 | Confident | 31 Ų | 31 | 41.9 Ų | 41.9 | 17% | 0.166 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -78.5 | -24 | 176.4 | -65.8 | -60.6 | 0 | 0 | 0 | 112.7 | Q1016 M1020 V1025 E1026 T1055 | Q1016-D1028 PolarHBondContact NE2-OD1 3.41Å; M1020-D1028 HydrophobicContact CE-CB 4.46Å; M1020-D1028 HydrophobicContact CG-CB 3.49Å; M1020-D1028 VanDerWaalsContact CG-CB 3.49Å; M1020-D1028 HydrophobicContact SD-CB 3.92Å; V1025-D1028 WeakPolarHBondContact O-CB 3.19Å; V1025-D1028 PolarHBondContact O-N 2.7Å; E1026-D1028 PolarHBondContact O-N 3.1Å; D1028-T1055 WeakPolarHBondContact O-CB 3.46Å; D1028-T1055 PolarHBondContact O-OG1 3.09Å |
| 1029 | F | 93.1 | Very high | 87 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -90.5 | -41.9 | -177.9 | -64.8 | -102.2 | 0 | 0 | 0 | 111.8 | A985 L988 F989 V992 L1004 L1009 M1020 P1024 V1025 E1026 C1054 T1055 | A985-F1029 HydrophobicContact CB-CB 4.49Å; L988-F1029 HydrophobicContact CB-CD1 4.39Å; L988-F1029 HydrophobicContact CD2-CD1 4.27Å; L988-F1029 HydrophobicContact CD2-CE1 4.48Å; L988-F1029 HydrophobicContact CG-CD1 4.04Å; L988-F1029 HydrophobicContact CG-CE1 4.04Å; F989-F1029 HydrophobicContact CB-CB 4.06Å; F989-F1029 HydrophobicContact CB-CD1 3.98Å; F989-F1029 HydrophobicContact CB-CD2 3.76Å; F989-F1029 HydrophobicContact CB-CE1 4.4Å; F989-F1029 HydrophobicContact CB-CE2 4.23Å; F989-F1029 HydrophobicContact CB-CG 3.65Å; F989-F1029 AromaticContact CD2-CD2 3.79Å; F989-F1029 HydrophobicContact CD2-CD2 3.79Å; F989-F1029 AromaticContact CD2-CE2 3.8Å; F989-F1029 HydrophobicContact CD2-CE2 3.8Å; F989-F1029 HydrophobicContact CG-CD2 4.2Å; V992-F1029 HydrophobicContact CB-CE1 4.1Å; V992-F1029 HydrophobicContact CB-CZ 3.82Å; V992-F1029 HydrophobicContact CG1-CZ 3.92Å; V992-F1029 HydrophobicContact CG2-CE1 3.94Å; V992-F1029 HydrophobicContact CG2-CZ 4.12Å; L1004-F1029 HydrophobicContact CD2-CE1 3.92Å; L1004-F1029 HydrophobicContact CD2-CZ 4.44Å; L1009-F1029 HydrophobicContact CD1-CB 4.29Å; L1009-F1029 HydrophobicContact CD1-CD1 3.55Å; L1009-F1029 HydrophobicContact CD1-CE1 4.2Å; L1009-F1029 HydrophobicContact CD1-CG 4.18Å; M1020-F1029 HydrophobicContact CE-CD1 3.9Å; M1020-F1029 HydrophobicContact CE-CD2 4.18Å; M1020-F1029 HydrophobicContact CE-CE1 3.56Å; M1020-F1029 HydrophobicContact CE-CE2 3.85Å; M1020-F1029 HydrophobicContact CE-CG 4.19Å; M1020-F1029 HydrophobicContact CE-CZ 3.53Å; M1020-F1029 HydrophobicContact CG-CE2 4.41Å; P1024-F1029 HydrophobicContact CB-CE2 3.88Å; P1024-F1029 HydrophobicContact CB-CZ 4.13Å; V1025-F1029 WeakPolarHBondContact O-CD2 3.34Å; E1026-F1029 PolarHBondContact O-N 2.89Å; E1026-F1029 VanDerWaalsContact O-N 3.16Å; F1029-C1054 CarbonylContact O-C 3.6Å; F1029-C1054 VanDerWaalsContact O-CA 3.25Å; F1029-C1054 WeakPolarHBondContact O-CA 3.18Å; F1029-T1055 VanDerWaalsContact C-OG1 3.31Å; F1029-T1055 PolarHBondContact O-N 3.15Å; F1029-T1055 PolarHBondContact O-OG1 3.43Å |
| 1030 | W | 94.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 155.8 | -177.5 | 74.2 | -87.6 | 0 | 0 | 0 | 115.1 | R967 L971 A985 H986 E1026 V1032 T1052 L1053 T1055 | R967-W1030 HydrophobicContact CB-CH2 4.17Å; R967-W1030 HydrophobicContact CG-CH2 4.35Å; R967-W1030 PolarHBondContact NH1-O 3.31Å; R967-W1030 VanDerWaalsContact NH2-CE2 3.27Å; R967-W1030 VanDerWaalsContact NH2-CZ2 3.28Å; R967-W1030 PolarHBondContact NH2-O 2.97Å; L971-W1030 HydrophobicContact CB-CH2 3.8Å; L971-W1030 HydrophobicContact CB-CZ2 3.76Å; L971-W1030 HydrophobicContact CD1-CZ2 3.94Å; L971-W1030 HydrophobicContact CD2-CZ2 4.27Å; L971-W1030 HydrophobicContact CG-CZ2 4.19Å; A985-W1030 HydrophobicContact CB-CB 3.82Å; H986-W1030 AromaticContact ND1-NE1 3.88Å; E1026-W1030 HydrophobicContact CG-CZ2 4.47Å; E1026-W1030 PolarHBondContact O-N 2.93Å; E1026-W1030 WeakPolarHBondContact OE1-CZ2 3.28Å; E1026-W1030 PolarHBondContact OE1-NE1 3.01Å; E1026-W1030 WeakPolarHBondContact OE2-CZ2 3.45Å; W1030-V1032 HydrophobicContact CH2-CG2 4.43Å; W1030-V1032 HydrophobicContact CZ3-CG2 3.72Å; W1030-T1052 HydrophobicContact CB-CG2 4.16Å; W1030-T1052 HydrophobicContact CD2-CG2 4.23Å; W1030-T1052 HydrophobicContact CE3-CG2 3.83Å; W1030-T1052 HydrophobicContact CG-CG2 4.4Å; W1030-L1053 CarbonylContact C-O 3.59Å; W1030-L1053 WeakPolarHBondContact CA-O 3.16Å; W1030-T1055 PolarHBondContact N-OG1 2.95Å |
| 1031 | Q | 92.3 | Very high | 86.4 | Confident | 46 Ų | 46 | 45.2 Ų | 45.2 | 22% | 0.215 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 155 | -179.5 | -67.6 | -63.2 | -17.9 | 0 | 0 | 111.6 | G1027 L1053 H1058 | G1027-Q1031 PolarHBondContact O-NE2 2.92Å; Q1031-L1053 PolarHBondContact N-O 2.77Å; Q1031-L1053 PolarHBondContact O-N 2.98Å; Q1031-H1058 HydrophobicContact CB-CB 4.33Å |
| 1032 | V | 89.8 | Confident | 86.1 | Confident | 21 Ų | 21 | 45.3 Ų | 45.3 | 13% | 0.127 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 126.2 | 168 | 179 | 0 | 0 | 0 | 0 | 108.9 | M966 R967 V970 W1030 L1050 Q1051 | M966-V1032 HydrophobicContact CG-CG1 4.25Å; M966-V1032 HydrophobicContact SD-CG1 4.12Å; R967-V1032 HydrophobicContact CB-CG2 4.49Å; R967-V1032 HydrophobicContact CG-CG2 3.94Å; V970-V1032 HydrophobicContact CB-CG2 3.76Å; V970-V1032 HydrophobicContact CG1-CG2 3.95Å; V970-V1032 HydrophobicContact CG2-CG1 3.96Å; V970-V1032 HydrophobicContact CG2-CG2 3.94Å; W1030-V1032 HydrophobicContact CH2-CG2 4.43Å; W1030-V1032 HydrophobicContact CZ3-CG2 3.72Å; V1032-L1050 HydrophobicContact CG1-CB 4.16Å; V1032-L1050 HydrophobicContact CG1-CD1 4.46Å; V1032-L1050 HydrophobicContact CG1-CD2 3.98Å; V1032-L1050 HydrophobicContact CG1-CG 4.44Å; V1032-Q1051 WeakPolarHBondContact CA-O 3.09Å |
| 1033 | D | 88.5 | Confident | 86.1 | Confident | 6 Ų | 6 | 37.7 Ų | 37.7 | 3% | 0.032 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 165.6 | 170.4 | -163.1 | 8.1 | 0 | 0 | 0 | 110.6 | L1050 Q1051 L1053 R1061 | D1033-L1050 CarbonylContact O-C 3.43Å; D1033-L1050 WeakPolarHBondContact O-CA 3.5Å; D1033-Q1051 HydrophobicContact CB-CG 4.46Å; D1033-Q1051 PolarHBondContact N-O 3.03Å; D1033-Q1051 PolarHBondContact O-N 3.05Å; D1033-L1053 HydrophobicContact CB-CD1 3.85Å; D1033-L1053 HydrophobicContact CB-CG 4.4Å; D1033-R1061 IonicContact OD1-NH1 3.23Å; D1033-R1061 WeakPolarHBondContact OD2-CD 3.45Å; D1033-R1061 IonicContact OD2-CZ 3.93Å; D1033-R1061 IonicContact OD2-NE 2.66Å; D1033-R1061 IonicContact OD2-NH1 2.72Å; D1033-R1061 PolarHBondContact OD2-NH1 3.44Å |
| 1034 | H | 87.3 | Confident | 86.1 | Confident | 5 Ų | 5 | 35.1 Ų | 35.1 | 2% | 0.023 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 133.8 | -175.5 | -59.8 | 48.1 | 0 | 0 | 0 | 110.1 | R1036 V1038 G1042 N1049 R1061 | H1034-R1036 WeakPolarHBondContact CB-O 3.45Å; H1034-V1038 HydrophobicContact CB-CG2 4.49Å; H1034-V1038 WeakPolarHBondContact CD2-CG2 3.41Å; H1034-V1038 WeakPolarHBondContact NE2-CG2 3.24Å; H1034-G1042 PolarHBondContact CD2-O 3.07Å; H1034-N1049 CarbonylContact C-O 3.19Å; H1034-N1049 VanDerWaalsContact CA-O 3.22Å; H1034-N1049 WeakPolarHBondContact CA-O 3.36Å; H1034-R1061 PolarHBondContact O-NH1 3.47Å; H1034-R1061 PolarHBondContact O-NH2 2.74Å |
| 1035 | I | 83.3 | Confident | 85.4 | Confident | 82 Ų | 82 | 34.6 Ų | 34.6 | 42% | 0.421 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -61.8 | -63 | 179.9 | -61.8 | 166.3 | 0 | 0 | 0 | 109.3 | P1037 D1048 N1049 Q1051 R1061 | I1035-P1037 WeakPolarHBondContact O-CD 3.46Å; I1035-D1048 WeakPolarHBondContact CD1-O 3.49Å; I1035-N1049 PolarHBondContact N-O 2.98Å; I1035-Q1051 HydrophobicContact CG1-CB 4.22Å; I1035-Q1051 HydrophobicContact CG1-CG 4.39Å; I1035-R1061 PolarHBondContact O-NH2 2.9Å |
| 1036 | R | 82.2 | Confident | 84.8 | Confident | 132 Ų | 132 | 32 Ų | 32 | 50% | 0.498 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -77.2 | 118.5 | 161.7 | -179.5 | 179.9 | 178.1 | 160.9 | -1.7 | 108.4 | H1034 R1040 N1049 | H1034-R1036 WeakPolarHBondContact CB-O 3.45Å; R1036-R1040 HydrophobicContact CG-CB 4.43Å; R1036-R1040 VanDerWaalsContact CZ-O 3.28Å; R1036-R1040 PolarHBondContact NE-O 3.5Å; R1036-R1040 PolarHBondContact NH2-O 2.86Å; R1036-N1049 WeakPolarHBondContact CB-OD1 3.37Å; R1036-N1049 PolarHBondContact N-OD1 2.9Å; R1036-N1049 PolarHBondContact O-ND2 3.21Å; R1036-N1049 VanDerWaalsContact O-ND2 3.08Å |
| 1037 | P | 84.3 | Confident | 84.1 | Confident | 17 Ų | 17 | 31 Ų | 31 | 11% | 0.11 | 15% | 0.153 | C | C | . | . | trans | -58.4 | 143.1 | -178.7 | -26.7 | 35.4 | 0 | 0 | 0 | 113 | I1035 Y1039 R1040 G1042 Q1065 | I1035-P1037 WeakPolarHBondContact O-CD 3.46Å; P1037-Y1039 HydrophobicContact CB-CD1 3.51Å; P1037-Y1039 HydrophobicContact CB-CE1 3.46Å; P1037-Y1039 VanDerWaalsContact CB-CE1 3.46Å; P1037-Y1039 HydrophobicContact CB-CG 4.45Å; P1037-Y1039 HydrophobicContact CG-CE1 3.98Å; P1037-Y1039 PolarHBondContact O-N 2.93Å; P1037-Y1039 VanDerWaalsContact O-N 3.11Å; P1037-R1040 PolarHBondContact O-N 2.76Å; P1037-G1042 PolarHBondContact O-N 3.47Å; P1037-Q1065 HydrophobicContact CG-CG 4.4Å | ||
| 1038 | V | 85.3 | Confident | 83.4 | Confident | 23 Ų | 23 | 34.3 Ų | 34.3 | 14% | 0.139 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -49.5 | -42 | 178.2 | 176.9 | 0 | 0 | 0 | 0 | 111.8 | T841 R843 H1034 R1040 G1041 G1042 | T841-V1038 WeakPolarHBondContact O-CG1 3.48Å; R843-V1038 HydrophobicContact CB-CG1 4.28Å; R843-V1038 HydrophobicContact CB-CG2 4.35Å; R843-V1038 HydrophobicContact CG-CG2 4.42Å; H1034-V1038 HydrophobicContact CB-CG2 4.49Å; H1034-V1038 WeakPolarHBondContact CD2-CG2 3.41Å; H1034-V1038 WeakPolarHBondContact NE2-CG2 3.24Å; V1038-R1040 PolarHBondContact O-N 2.77Å; V1038-R1040 VanDerWaalsContact O-N 3.16Å; V1038-G1041 PolarHBondContact O-N 2.78Å; V1038-G1042 PolarHBondContact O-N 3.48Å |
| 1039 | Y | 82.3 | Confident | 83.1 | Confident | 52 Ų | 52 | 33.9 Ų | 33.9 | 20% | 0.204 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -66.1 | -16.6 | -179.2 | 83.2 | -97.7 | 0 | 0 | 0 | 114.4 | P1037 Q1065 E1068 R1069 M1072 | P1037-Y1039 HydrophobicContact CB-CD1 3.51Å; P1037-Y1039 HydrophobicContact CB-CE1 3.46Å; P1037-Y1039 VanDerWaalsContact CB-CE1 3.46Å; P1037-Y1039 HydrophobicContact CB-CG 4.45Å; P1037-Y1039 HydrophobicContact CG-CE1 3.98Å; P1037-Y1039 PolarHBondContact O-N 2.93Å; P1037-Y1039 VanDerWaalsContact O-N 3.11Å; Y1039-Q1065 HydrophobicContact CE1-CB 4.12Å; Y1039-Q1065 HydrophobicContact CE1-CG 4.23Å; Y1039-E1068 PolarHBondContact OH-OE2 3.34Å; Y1039-R1069 HydrophobicContact CD1-CG 3.84Å; Y1039-R1069 HydrophobicContact CD2-CG 3.93Å; Y1039-R1069 HydrophobicContact CE1-CG 4.11Å; Y1039-R1069 HydrophobicContact CE2-CG 4.22Å; Y1039-R1069 HydrophobicContact CG-CG 3.75Å; Y1039-M1072 HydrophobicContact CD2-SD 4.36Å; Y1039-M1072 HydrophobicContact CE2-CE 4.12Å; Y1039-M1072 HydrophobicContact CE2-SD 3.67Å |
| 1040 | R | 81.6 | Confident | 82.7 | Confident | 126 Ų | 126 | 34.1 Ų | 34.1 | 48% | 0.475 | 17% | 0.165 | S | C | . | . | G | 310 helix | trans | -97.4 | 19.9 | 171.8 | -58.5 | -163.8 | -172 | -166.1 | 6.8 | 112.5 | R1036 P1037 V1038 E1068 | R1036-R1040 HydrophobicContact CG-CB 4.43Å; R1036-R1040 VanDerWaalsContact CZ-O 3.28Å; R1036-R1040 PolarHBondContact NE-O 3.5Å; R1036-R1040 PolarHBondContact NH2-O 2.86Å; P1037-R1040 PolarHBondContact O-N 2.76Å; V1038-R1040 PolarHBondContact O-N 2.77Å; V1038-R1040 VanDerWaalsContact O-N 3.16Å; R1040-E1068 IonicContact NH2-OE2 2.7Å |
| 1041 | G | 80.7 | Confident | 82.4 | Confident | 9 Ų | 9 | 35.4 Ų | 35.4 | 9% | 0.093 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | 30.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | S839 S840 V1038 | S839-G1041 VanDerWaalsContact CA-O 3.23Å; S839-G1041 WeakPolarHBondContact CA-O 3.34Å; S840-G1041 PolarHBondContact N-O 3.46Å; S840-G1041 CarbonylContact O-C 3.56Å; S840-G1041 WeakPolarHBondContact O-CA 3.29Å; V1038-G1041 PolarHBondContact O-N 2.78Å |
| 1042 | G | 79.8 | Confident | 82.3 | Confident | 2 Ų | 2 | 33.2 Ų | 33.2 | 2% | 0.021 | 16% | 0.16 | C | C | . | . | B | Isolated β-bridge | trans | -99.1 | 1.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | S840 H1034 P1037 V1038 C1045 N1049 | S840-G1042 PolarHBondContact O-N 2.99Å; H1034-G1042 PolarHBondContact CD2-O 3.07Å; P1037-G1042 PolarHBondContact O-N 3.47Å; V1038-G1042 PolarHBondContact O-N 3.48Å; G1042-C1045 WeakPolarHBondContact O-CB 3.26Å; G1042-C1045 PolarHBondContact O-SG 3.14Å; G1042-N1049 PolarHBondContact O-ND2 2.97Å |
| 1043 | G | 81.2 | Confident | 82.4 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | B | Isolated β-bridge | trans | -80.1 | 173.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | S840 N842 C1045 | S840-G1043 WeakPolarHBondContact O-CA 3.28Å; S840-G1043 PolarHBondContact O-N 3.17Å; N842-G1043 CarbonylContact O-C 3.57Å; N842-G1043 VanDerWaalsContact O-CA 3.23Å; N842-G1043 WeakPolarHBondContact O-CA 3.27Å; G1043-C1045 PolarHBondContact O-N 2.79Å |
| 1044 | Q | 82.3 | Confident | 82.6 | Confident | 11 Ų | 11 | 31.9 Ų | 31.9 | 5% | 0.051 | 15% | 0.153 | C | C | . | . | S | Bend | trans | 48.5 | 31.9 | -175.9 | -69.5 | 162.9 | -4.1 | 0 | 0 | 113.7 | S840 N842 R843 Y844 L845 E849 R960 | S840-Q1044 VanDerWaalsContact CB-OE1 3.24Å; S840-Q1044 VanDerWaalsContact OG-CD 3.3Å; S840-Q1044 PolarHBondContact OG-OE1 2.95Å; N842-Q1044 WeakPolarHBondContact O-CG 3.49Å; N842-Q1044 PolarHBondContact O-N 3.36Å; N842-Q1044 VanDerWaalsContact O-N 3.13Å; R843-Q1044 PolarHBondContact O-N 3.32Å; Y844-Q1044 PolarHBondContact O-NE2 3.19Å; L845-Q1044 HydrophobicContact CB-CG 4.32Å; E849-Q1044 PolarHBondContact OE1-NE2 3.32Å; E849-Q1044 PolarHBondContact OE2-NE2 2.82Å; R960-Q1044 PolarHBondContact NH1-O 3.16Å |
| 1045 | C | 73.8 | Confident | 82.9 | Confident | 11 Ų | 11 | 31.9 Ų | 31.9 | 7% | 0.074 | 15% | 0.153 | C | C | . | . | trans | -86.5 | 169.5 | -169.5 | 49.8 | 0 | 0 | 0 | 0 | 113.8 | G1042 G1043 N1049 | G1042-C1045 WeakPolarHBondContact O-CB 3.26Å; G1042-C1045 PolarHBondContact O-SG 3.14Å; G1043-C1045 PolarHBondContact O-N 2.79Å; C1045-N1049 HydrophobicContact CB-CB 3.77Å | ||
| 1046 | S | 76.4 | Confident | 83.2 | Confident | 35 Ų | 35 | 28.4 Ų | 28.4 | 25% | 0.245 | 14% | 0.137 | C | C | . | . | trans | -74.1 | 173.1 | 163 | 62.5 | 0 | 0 | 0 | 0 | 111.1 | D1048 N1049 | S1046-D1048 VanDerWaalsContact CB-OD2 3.24Å; S1046-D1048 WeakPolarHBondContact CB-OD2 3.48Å; S1046-D1048 PolarHBondContact O-N 2.87Å; S1046-D1048 VanDerWaalsContact O-N 3.14Å; S1046-D1048 PolarHBondContact OG-OD2 3.35Å; S1046-N1049 PolarHBondContact O-N 2.76Å | ||
| 1047 | M | 72.8 | Confident | 83.7 | Confident | 23 Ų | 23 | 22.3 Ų | 22.3 | 11% | 0.113 | 11% | 0.114 | C | C | . | . | G | 310 helix | trans | -56.6 | -26.4 | 175.2 | -76.9 | -65.7 | -63.8 | 0 | 0 | 113.2 | M809 L959 C969 V970 A973 N1049 L1050 | M809-M1047 HydrophobicContact CE-CB 3.88Å; M809-M1047 HydrophobicContact CE-CE 4.44Å; M809-M1047 HydrophobicContact CE-CG 3.75Å; M809-M1047 HydrophobicContact CG-CE 4.38Å; M809-M1047 HydrophobicContact SD-CE 3.92Å; M809-M1047 HydrophobicContact SD-CG 4.44Å; L959-M1047 HydrophobicContact CD1-CG 4.3Å; L959-M1047 HydrophobicContact CD1-SD 3.67Å; L959-M1047 HydrophobicContact CD2-CG 3.81Å; L959-M1047 HydrophobicContact CD2-SD 4.27Å; C969-M1047 HydrophobicContact CB-CE 3.76Å; C969-M1047 HydrophobicContact CB-SD 3.51Å; C969-M1047 VanDerWaalsContact CB-SD 3.51Å; V970-M1047 HydrophobicContact CB-CE 4.45Å; V970-M1047 HydrophobicContact CG2-CE 3.71Å; V970-M1047 HydrophobicContact CG2-SD 4.15Å; A973-M1047 HydrophobicContact CB-CE 4Å; M1047-N1049 PolarHBondContact O-N 3.12Å; M1047-L1050 PolarHBondContact O-N 2.84Å; M1047-L1050 HydrophobicContact SD-CD1 3.97Å |
| 1048 | D | 71.7 | Confident | 84.1 | Confident | 88 Ų | 88 | 23.3 Ų | 23.3 | 47% | 0.471 | 12% | 0.117 | S | C | . | . | G | 310 helix | trans | -65.5 | -9.8 | -177.1 | -42.4 | -78.6 | 0 | 0 | 0 | 113.8 | I1035 S1046 | I1035-D1048 WeakPolarHBondContact CD1-O 3.49Å; S1046-D1048 VanDerWaalsContact CB-OD2 3.24Å; S1046-D1048 WeakPolarHBondContact CB-OD2 3.48Å; S1046-D1048 PolarHBondContact O-N 2.87Å; S1046-D1048 VanDerWaalsContact O-N 3.14Å; S1046-D1048 PolarHBondContact OG-OD2 3.35Å |
| 1049 | N | 82.5 | Confident | 84.3 | Confident | 23 Ų | 23 | 26.5 Ų | 26.5 | 12% | 0.123 | 13% | 0.129 | C | C | . | . | G | 310 helix | trans | -112.3 | 13.1 | 175.1 | -165.1 | 49.5 | 0 | 0 | 0 | 113.7 | H1034 I1035 R1036 G1042 C1045 S1046 M1047 | H1034-N1049 CarbonylContact C-O 3.19Å; H1034-N1049 VanDerWaalsContact CA-O 3.22Å; H1034-N1049 WeakPolarHBondContact CA-O 3.36Å; I1035-N1049 PolarHBondContact N-O 2.98Å; R1036-N1049 WeakPolarHBondContact CB-OD1 3.37Å; R1036-N1049 PolarHBondContact N-OD1 2.9Å; R1036-N1049 PolarHBondContact O-ND2 3.21Å; R1036-N1049 VanDerWaalsContact O-ND2 3.08Å; G1042-N1049 PolarHBondContact O-ND2 2.97Å; C1045-N1049 HydrophobicContact CB-CB 3.77Å; S1046-N1049 PolarHBondContact O-N 2.76Å; M1047-N1049 PolarHBondContact O-N 3.12Å |
| 1050 | L | 85.2 | Confident | 84.7 | Confident | 5 Ų | 5 | 27 Ų | 27 | 3% | 0.026 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 152.4 | -179.4 | -59.7 | 177 | 0 | 0 | 0 | 111.2 | L959 M966 V970 V1032 D1033 M1047 | L959-L1050 HydrophobicContact CD1-CD1 4.12Å; M966-L1050 HydrophobicContact CE-CD1 4.3Å; M966-L1050 HydrophobicContact CG-CD1 3.55Å; M966-L1050 HydrophobicContact SD-CD1 3.98Å; M966-L1050 HydrophobicContact SD-CD2 4.09Å; V970-L1050 HydrophobicContact CG2-CB 3.83Å; V970-L1050 HydrophobicContact CG2-CD1 4.03Å; V1032-L1050 HydrophobicContact CG1-CB 4.16Å; V1032-L1050 HydrophobicContact CG1-CD1 4.46Å; V1032-L1050 HydrophobicContact CG1-CD2 3.98Å; V1032-L1050 HydrophobicContact CG1-CG 4.44Å; D1033-L1050 CarbonylContact O-C 3.43Å; D1033-L1050 WeakPolarHBondContact O-CA 3.5Å; M1047-L1050 PolarHBondContact O-N 2.84Å; M1047-L1050 HydrophobicContact SD-CD1 3.97Å |
| 1051 | Q | 86.8 | Confident | 85 | Confident | 26 Ų | 26 | 23.3 Ų | 23.3 | 12% | 0.121 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 158 | 175.7 | 68.1 | -179.5 | -99.7 | 0 | 0 | 112.3 | E974 Q979 V1032 D1033 I1035 L1053 | E974-Q1051 WeakPolarHBondContact OE1-CA 3.09Å; Q979-Q1051 HydrophobicContact CG-CB 4.08Å; V1032-Q1051 WeakPolarHBondContact CA-O 3.09Å; D1033-Q1051 HydrophobicContact CB-CG 4.46Å; D1033-Q1051 PolarHBondContact N-O 3.03Å; D1033-Q1051 PolarHBondContact O-N 3.05Å; I1035-Q1051 HydrophobicContact CG1-CB 4.22Å; I1035-Q1051 HydrophobicContact CG1-CG 4.39Å; Q1051-L1053 HydrophobicContact CG-CG 4.32Å |
| 1052 | T | 90.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 126.8 | 168 | -52.6 | 0 | 0 | 0 | 0 | 110.4 | V970 E974 I977 Q979 W1030 | V970-T1052 WeakPolarHBondContact CG1-OG1 3.19Å; E974-T1052 WeakPolarHBondContact OE2-CA 3.44Å; E974-T1052 WeakPolarHBondContact OE2-CB 3.45Å; E974-T1052 PolarHBondContact OE2-N 3.38Å; E974-T1052 PolarHBondContact OE2-OG1 2.91Å; I977-T1052 VanDerWaalsContact O-CB 3.3Å; I977-T1052 WeakPolarHBondContact O-CB 3.2Å; I977-T1052 WeakPolarHBondContact O-CG2 3.45Å; Q979-T1052 PolarHBondContact N-O 3.3Å; W1030-T1052 HydrophobicContact CB-CG2 4.16Å; W1030-T1052 HydrophobicContact CD2-CG2 4.23Å; W1030-T1052 HydrophobicContact CE3-CG2 3.83Å; W1030-T1052 HydrophobicContact CG-CG2 4.4Å |
| 1053 | L | 91.4 | Very high | 85.8 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 138.8 | 163.1 | -68.7 | 178.6 | 0 | 0 | 0 | 109.8 | H980 W1030 Q1031 D1033 Q1051 C1057 H1058 R1061 | H980-L1053 HydrophobicContact CB-CD2 3.59Å; W1030-L1053 CarbonylContact C-O 3.59Å; W1030-L1053 WeakPolarHBondContact CA-O 3.16Å; Q1031-L1053 PolarHBondContact N-O 2.77Å; Q1031-L1053 PolarHBondContact O-N 2.98Å; D1033-L1053 HydrophobicContact CB-CD1 3.85Å; D1033-L1053 HydrophobicContact CB-CG 4.4Å; Q1051-L1053 HydrophobicContact CG-CG 4.32Å; L1053-C1057 HydrophobicContact CB-CB 4.36Å; L1053-C1057 HydrophobicContact CD2-CB 4.21Å; L1053-H1058 HydrophobicContact CB-CB 3.97Å; L1053-R1061 HydrophobicContact CD1-CB 4.41Å |
| 1054 | C | 93.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | 153.7 | 166.2 | 72.4 | 0 | 0 | 0 | 0 | 109.8 | C978 L983 A985 L1009 F1029 A1056 C1057 H1058 | C978-C1054 HydrophobicContact CB-CB 3.93Å; C978-C1054 PolarHBondContact SG-N 3.41Å; C978-C1054 VanDerWaalsContact SG-SG 3.65Å; L983-C1054 HydrophobicContact CD2-CB 3.95Å; A985-C1054 HydrophobicContact CB-CB 4Å; L1009-C1054 HydrophobicContact CD2-CB 4.08Å; F1029-C1054 CarbonylContact O-C 3.6Å; F1029-C1054 VanDerWaalsContact O-CA 3.25Å; F1029-C1054 WeakPolarHBondContact O-CA 3.18Å; C1054-A1056 PolarHBondContact O-N 3.48Å; C1054-A1056 VanDerWaalsContact O-N 3.11Å; C1054-C1057 PolarHBondContact O-N 3.33Å; C1054-C1057 VanDerWaalsContact O-N 3.07Å; C1054-C1057 VanDerWaalsContact SG-SG 3.65Å; C1054-H1058 PolarHBondContact O-N 3.25Å |
| 1055 | T | 93.4 | Very high | 86.4 | Confident | 5 Ų | 5 | 33.2 Ų | 33.2 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.2 | -31.3 | -170.3 | -59.4 | 0 | 0 | 0 | 0 | 113.6 | L1012 D1028 F1029 W1030 K1059 | L1012-T1055 HydrophobicContact CD1-CG2 4.39Å; L1012-T1055 HydrophobicContact CD2-CG2 3.95Å; D1028-T1055 WeakPolarHBondContact O-CB 3.46Å; D1028-T1055 PolarHBondContact O-OG1 3.09Å; F1029-T1055 VanDerWaalsContact C-OG1 3.31Å; F1029-T1055 PolarHBondContact O-N 3.15Å; F1029-T1055 PolarHBondContact O-OG1 3.43Å; W1030-T1055 PolarHBondContact N-OG1 2.95Å; T1055-K1059 HydrophobicContact CG2-CD 4.29Å; T1055-K1059 WeakPolarHBondContact O-CB 3.18Å; T1055-K1059 VanDerWaalsContact O-CG 3.31Å; T1055-K1059 WeakPolarHBondContact O-CG 3.31Å; T1055-K1059 PolarHBondContact O-N 3.31Å |
| 1056 | A | 90.8 | Very high | 87 | Confident | 9 Ų | 9 | 34.9 Ų | 34.9 | 7% | 0.074 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.4 | -53.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1009 L1012 C1054 H1058 K1059 A1060 | L1009-A1056 HydrophobicContact CD2-CB 4.37Å; L1012-A1056 HydrophobicContact CD2-CB 4.35Å; C1054-A1056 PolarHBondContact O-N 3.48Å; C1054-A1056 VanDerWaalsContact O-N 3.11Å; A1056-H1058 PolarHBondContact O-N 3.13Å; A1056-K1059 PolarHBondContact O-N 2.85Å; A1056-A1060 PolarHBondContact O-N 2.79Å |
| 1057 | C | 91.1 | Very high | 87.5 | Confident | 4 Ų | 4 | 41.9 Ų | 41.9 | 3% | 0.027 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.9 | -40.3 | 176.4 | -71.6 | 0 | 0 | 0 | 0 | 112.4 | H980 C981 W1008 L1053 C1054 K1059 A1060 R1061 | H980-C1057 HydrophobicContact CB-CB 4.17Å; C981-C1057 VanDerWaalsContact SG-SG 3.66Å; W1008-C1057 PolarHBondContact NE1-SG 2.91Å; L1053-C1057 HydrophobicContact CB-CB 4.36Å; L1053-C1057 HydrophobicContact CD2-CB 4.21Å; C1054-C1057 PolarHBondContact O-N 3.33Å; C1054-C1057 VanDerWaalsContact O-N 3.07Å; C1054-C1057 VanDerWaalsContact SG-SG 3.65Å; C1057-K1059 PolarHBondContact O-N 3.47Å; C1057-A1060 PolarHBondContact O-N 3.46Å; C1057-R1061 VanDerWaalsContact O-CB 3.31Å; C1057-R1061 WeakPolarHBondContact O-CB 3.42Å; C1057-R1061 PolarHBondContact O-N 3.3Å |
| 1058 | H | 92.7 | Very high | 88.2 | Confident | 37 Ų | 37 | 42.4 Ų | 42.4 | 17% | 0.171 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62 | -41.4 | 175.7 | 176.3 | -116.3 | 0 | 0 | 0 | 112.1 | Q1031 L1053 C1054 A1056 T1062 | Q1031-H1058 HydrophobicContact CB-CB 4.33Å; L1053-H1058 HydrophobicContact CB-CB 3.97Å; C1054-H1058 PolarHBondContact O-N 3.25Å; A1056-H1058 PolarHBondContact O-N 3.13Å; H1058-T1062 VanDerWaalsContact O-CB 3.23Å; H1058-T1062 WeakPolarHBondContact O-CB 3.3Å; H1058-T1062 PolarHBondContact O-N 3.31Å; H1058-T1062 PolarHBondContact O-OG1 3.4Å |
| 1059 | K | 90.6 | Very high | 88.8 | Confident | 90 Ų | 90 | 42.4 Ų | 42.4 | 39% | 0.391 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.1 | -45.3 | 174.7 | -79.6 | 178.2 | 174.7 | -177.8 | 0 | 111.9 | L1012 T1055 A1056 C1057 T1062 A1063 | L1012-K1059 HydrophobicContact CD2-CD 3.9Å; T1055-K1059 HydrophobicContact CG2-CD 4.29Å; T1055-K1059 WeakPolarHBondContact O-CB 3.18Å; T1055-K1059 VanDerWaalsContact O-CG 3.31Å; T1055-K1059 WeakPolarHBondContact O-CG 3.31Å; T1055-K1059 PolarHBondContact O-N 3.31Å; A1056-K1059 PolarHBondContact O-N 2.85Å; C1057-K1059 PolarHBondContact O-N 3.47Å; K1059-T1062 PolarHBondContact O-N 2.95Å; K1059-A1063 WeakPolarHBondContact O-CB 3.46Å; K1059-A1063 PolarHBondContact O-N 2.84Å |
| 1060 | A | 89.7 | Confident | 88.9 | Confident | 64 Ų | 64 | 43.9 Ų | 43.9 | 53% | 0.529 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.2 | -49 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1056 C1057 T1062 A1063 Q1064 | A1056-A1060 PolarHBondContact O-N 2.79Å; C1057-A1060 PolarHBondContact O-N 3.46Å; A1060-T1062 PolarHBondContact O-N 3.33Å; A1060-A1063 WeakPolarHBondContact O-CB 3.31Å; A1060-A1063 PolarHBondContact O-N 3.26Å; A1060-Q1064 PolarHBondContact O-N 3.47Å |
| 1061 | R | 88.6 | Confident | 88.9 | Confident | 48 Ų | 48 | 49.9 Ų | 49.9 | 18% | 0.181 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.2 | -38.2 | 178.1 | -164.5 | 169.3 | -174.6 | -115.1 | 3.2 | 112.5 | D1033 H1034 I1035 L1053 C1057 A1063 Q1064 Q1065 | D1033-R1061 IonicContact OD1-NH1 3.23Å; D1033-R1061 WeakPolarHBondContact OD2-CD 3.45Å; D1033-R1061 IonicContact OD2-CZ 3.93Å; D1033-R1061 IonicContact OD2-NE 2.66Å; D1033-R1061 IonicContact OD2-NH1 2.72Å; D1033-R1061 PolarHBondContact OD2-NH1 3.44Å; H1034-R1061 PolarHBondContact O-NH1 3.47Å; H1034-R1061 PolarHBondContact O-NH2 2.74Å; I1035-R1061 PolarHBondContact O-NH2 2.9Å; L1053-R1061 HydrophobicContact CD1-CB 4.41Å; C1057-R1061 VanDerWaalsContact O-CB 3.31Å; C1057-R1061 WeakPolarHBondContact O-CB 3.42Å; C1057-R1061 PolarHBondContact O-N 3.3Å; R1061-A1063 VanDerWaalsContact C-N 3.34Å; R1061-A1063 PolarHBondContact O-N 2.77Å; R1061-Q1064 PolarHBondContact O-N 2.88Å; R1061-Q1065 WeakPolarHBondContact O-CG 3.44Å; R1061-Q1065 PolarHBondContact O-N 3.21Å |
| 1062 | T | 88.6 | Confident | 88.7 | Confident | 54 Ų | 54 | 52.8 Ų | 52.8 | 33% | 0.331 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.3 | -41.9 | 172.9 | -65.1 | 0 | 0 | 0 | 0 | 111.6 | H1058 K1059 A1060 A1066 | H1058-T1062 VanDerWaalsContact O-CB 3.23Å; H1058-T1062 WeakPolarHBondContact O-CB 3.3Å; H1058-T1062 PolarHBondContact O-N 3.31Å; H1058-T1062 PolarHBondContact O-OG1 3.4Å; K1059-T1062 PolarHBondContact O-N 2.95Å; A1060-T1062 PolarHBondContact O-N 3.33Å; T1062-A1066 WeakPolarHBondContact O-CB 3.16Å; T1062-A1066 PolarHBondContact O-N 2.97Å |
| 1063 | A | 88.6 | Confident | 88.2 | Confident | 48 Ų | 48 | 60.5 Ų | 60.5 | 40% | 0.397 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.1 | -40.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | K1059 A1060 R1061 A1066 R1067 | K1059-A1063 WeakPolarHBondContact O-CB 3.46Å; K1059-A1063 PolarHBondContact O-N 2.84Å; A1060-A1063 WeakPolarHBondContact O-CB 3.31Å; A1060-A1063 PolarHBondContact O-N 3.26Å; R1061-A1063 VanDerWaalsContact C-N 3.34Å; R1061-A1063 PolarHBondContact O-N 2.77Å; A1063-A1066 WeakPolarHBondContact O-CB 3.35Å; A1063-A1066 PolarHBondContact O-N 2.91Å; A1063-R1067 WeakPolarHBondContact O-CG 3.41Å; A1063-R1067 PolarHBondContact O-N 2.79Å; A1063-R1067 VanDerWaalsContact O-N 3.1Å |
| 1064 | Q | 88.6 | Confident | 87.7 | Confident | 109 Ų | 109 | 67.6 Ų | 67.6 | 51% | 0.509 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -59.4 | -53.8 | 172.2 | -179.3 | -174.4 | -22.2 | 0 | 0 | 111.3 | A1060 R1061 A1066 R1067 E1068 | A1060-Q1064 PolarHBondContact O-N 3.47Å; R1061-Q1064 PolarHBondContact O-N 2.88Å; Q1064-A1066 PolarHBondContact O-N 2.95Å; Q1064-A1066 VanDerWaalsContact O-N 3.16Å; Q1064-R1067 WeakPolarHBondContact O-CA 3.31Å; Q1064-R1067 WeakPolarHBondContact O-CB 3.18Å; Q1064-R1067 PolarHBondContact O-N 3.44Å; Q1064-E1068 WeakPolarHBondContact CG-OE1 3.46Å; Q1064-E1068 PolarHBondContact NE2-OE1 3.1Å; Q1064-E1068 WeakPolarHBondContact O-CG 3.46Å; Q1064-E1068 PolarHBondContact O-N 3.22Å |
| 1065 | Q | 87.7 | Confident | 87 | Confident | 18 Ų | 18 | 71.1 Ų | 71.1 | 8% | 0.084 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -59.7 | -29.4 | 178.3 | -66.2 | 178.6 | 24.5 | 0 | 0 | 112.4 | P1037 Y1039 R1061 R1069 | P1037-Q1065 HydrophobicContact CG-CG 4.4Å; Y1039-Q1065 HydrophobicContact CE1-CB 4.12Å; Y1039-Q1065 HydrophobicContact CE1-CG 4.23Å; R1061-Q1065 WeakPolarHBondContact O-CG 3.44Å; R1061-Q1065 PolarHBondContact O-N 3.21Å; Q1065-R1069 WeakPolarHBondContact O-CB 3.44Å; Q1065-R1069 VanDerWaalsContact O-CG 3.27Å; Q1065-R1069 WeakPolarHBondContact O-CG 3.44Å; Q1065-R1069 PolarHBondContact O-N 2.63Å |
| 1066 | A | 86.4 | Confident | 86.2 | Confident | 46 Ų | 46 | 73.4 Ų | 73.4 | 38% | 0.38 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -69.1 | -38.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | T1062 A1063 Q1064 S1070 | T1062-A1066 WeakPolarHBondContact O-CB 3.16Å; T1062-A1066 PolarHBondContact O-N 2.97Å; A1063-A1066 WeakPolarHBondContact O-CB 3.35Å; A1063-A1066 PolarHBondContact O-N 2.91Å; Q1064-A1066 PolarHBondContact O-N 2.95Å; Q1064-A1066 VanDerWaalsContact O-N 3.16Å; A1066-S1070 WeakPolarHBondContact O-CB 3.38Å; A1066-S1070 PolarHBondContact O-N 3.26Å |
| 1067 | R | 87.7 | Confident | 85.4 | Confident | 182 Ų | 182 | 75.7 Ų | 75.7 | 69% | 0.687 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -63.6 | -47.8 | 172 | -65.9 | 171.2 | -178.2 | -178.9 | 0.2 | 110.9 | A1063 Q1064 R1069 S1070 Q1071 | A1063-R1067 WeakPolarHBondContact O-CG 3.41Å; A1063-R1067 PolarHBondContact O-N 2.79Å; A1063-R1067 VanDerWaalsContact O-N 3.1Å; Q1064-R1067 WeakPolarHBondContact O-CA 3.31Å; Q1064-R1067 WeakPolarHBondContact O-CB 3.18Å; Q1064-R1067 PolarHBondContact O-N 3.44Å; R1067-R1069 PolarHBondContact O-N 2.6Å; R1067-S1070 WeakPolarHBondContact O-CA 3.37Å; R1067-S1070 WeakPolarHBondContact O-CB 3.03Å; R1067-S1070 PolarHBondContact O-N 3.41Å; R1067-S1070 VanDerWaalsContact O-N 3.08Å; R1067-Q1071 PolarHBondContact O-N 3.4Å |
| 1068 | E | 86.9 | Confident | 84.3 | Confident | 35 Ų | 35 | 78.5 Ų | 78.5 | 16% | 0.164 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -56.7 | -49.6 | 176.4 | -67.2 | 169.7 | -173.7 | 0 | 0 | 111.7 | Y1039 R1040 Q1064 S1070 Q1071 M1072 | Y1039-E1068 PolarHBondContact OH-OE2 3.34Å; R1040-E1068 IonicContact NH2-OE2 2.7Å; Q1064-E1068 WeakPolarHBondContact CG-OE1 3.46Å; Q1064-E1068 PolarHBondContact NE2-OE1 3.1Å; Q1064-E1068 WeakPolarHBondContact O-CG 3.46Å; Q1064-E1068 PolarHBondContact O-N 3.22Å; E1068-S1070 VanDerWaalsContact C-N 3.26Å; E1068-S1070 PolarHBondContact O-N 3.27Å; E1068-Q1071 PolarHBondContact O-N 3.42Å; E1068-M1072 WeakPolarHBondContact O-CG 3.33Å; E1068-M1072 PolarHBondContact O-N 2.88Å |
| 1069 | R | 84.4 | Confident | 83 | Confident | 87 Ų | 87 | 80.4 Ų | 80.4 | 33% | 0.328 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -61 | -33.7 | 176 | -73.9 | -175.2 | -60.4 | -99.4 | 4.2 | 112.7 | Y1039 Q1065 R1067 K1073 | Y1039-R1069 HydrophobicContact CD1-CG 3.84Å; Y1039-R1069 HydrophobicContact CD2-CG 3.93Å; Y1039-R1069 HydrophobicContact CE1-CG 4.11Å; Y1039-R1069 HydrophobicContact CE2-CG 4.22Å; Y1039-R1069 HydrophobicContact CG-CG 3.75Å; Q1065-R1069 WeakPolarHBondContact O-CB 3.44Å; Q1065-R1069 VanDerWaalsContact O-CG 3.27Å; Q1065-R1069 WeakPolarHBondContact O-CG 3.44Å; Q1065-R1069 PolarHBondContact O-N 2.63Å; R1067-R1069 PolarHBondContact O-N 2.6Å; R1069-K1073 WeakPolarHBondContact O-CB 3.25Å; R1069-K1073 WeakPolarHBondContact O-CG 3.3Å; R1069-K1073 PolarHBondContact O-N 3.04Å |
| 1070 | S | 84.8 | Confident | 81.7 | Confident | 55 Ų | 55 | 83.9 Ų | 83.9 | 39% | 0.385 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -70.4 | -42.9 | 175.7 | -170.9 | 0 | 0 | 0 | 0 | 111.7 | A1066 R1067 E1068 K1073 K1074 | A1066-S1070 WeakPolarHBondContact O-CB 3.38Å; A1066-S1070 PolarHBondContact O-N 3.26Å; R1067-S1070 WeakPolarHBondContact O-CA 3.37Å; R1067-S1070 WeakPolarHBondContact O-CB 3.03Å; R1067-S1070 PolarHBondContact O-N 3.41Å; R1067-S1070 VanDerWaalsContact O-N 3.08Å; E1068-S1070 VanDerWaalsContact C-N 3.26Å; E1068-S1070 PolarHBondContact O-N 3.27Å; S1070-K1073 PolarHBondContact O-N 2.95Å; S1070-K1074 WeakPolarHBondContact O-CG 3.42Å; S1070-K1074 PolarHBondContact O-N 3.02Å |
| 1071 | Q | 85.4 | Confident | 80.3 | Confident | 131 Ų | 131 | 86.4 Ų | 86.4 | 61% | 0.612 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -62.2 | -47.2 | 173.9 | -72.3 | 167.3 | -40.8 | 0 | 0 | 111.6 | R1067 E1068 K1073 K1074 S1075 | R1067-Q1071 PolarHBondContact O-N 3.4Å; E1068-Q1071 PolarHBondContact O-N 3.42Å; Q1071-K1073 VanDerWaalsContact C-N 3.35Å; Q1071-K1073 PolarHBondContact O-N 2.95Å; Q1071-K1074 WeakPolarHBondContact O-CB 3.18Å; Q1071-K1074 PolarHBondContact O-N 3.49Å; Q1071-K1074 VanDerWaalsContact O-N 3.1Å; Q1071-S1075 PolarHBondContact O-N 3.38Å; Q1071-S1075 PolarHBondContact O-OG 2.97Å |
| 1072 | M | 81.2 | Confident | 78.8 | Confident | 86 Ų | 86 | 87.3 Ų | 87.3 | 42% | 0.424 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.2 | -39.2 | 176.3 | -72.5 | -177.4 | 174.2 | 0 | 0 | 112.9 | Y1039 E1068 K1074 S1075 A1076 | Y1039-M1072 HydrophobicContact CD2-SD 4.36Å; Y1039-M1072 HydrophobicContact CE2-CE 4.12Å; Y1039-M1072 HydrophobicContact CE2-SD 3.67Å; E1068-M1072 WeakPolarHBondContact O-CG 3.33Å; E1068-M1072 PolarHBondContact O-N 2.88Å; M1072-K1074 VanDerWaalsContact C-N 3.34Å; M1072-S1075 PolarHBondContact O-OG 2.83Å; M1072-S1075 VanDerWaalsContact O-OG 3.14Å; M1072-A1076 VanDerWaalsContact O-CB 3.24Å; M1072-A1076 WeakPolarHBondContact O-CB 3.29Å; M1072-A1076 PolarHBondContact O-N 2.89Å |
| 1073 | K | 81.6 | Confident | 77.2 | Confident | 163 Ų | 163 | 89 Ų | 89 | 71% | 0.709 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.1 | -38.7 | 173.3 | -79.1 | -177 | 176.1 | -168.7 | 0 | 112 | R1069 S1070 Q1071 A1077 | R1069-K1073 WeakPolarHBondContact O-CB 3.25Å; R1069-K1073 WeakPolarHBondContact O-CG 3.3Å; R1069-K1073 PolarHBondContact O-N 3.04Å; S1070-K1073 PolarHBondContact O-N 2.95Å; Q1071-K1073 VanDerWaalsContact C-N 3.35Å; Q1071-K1073 PolarHBondContact O-N 2.95Å; K1073-A1077 VanDerWaalsContact O-CB 3.29Å; K1073-A1077 WeakPolarHBondContact O-CB 3.28Å; K1073-A1077 PolarHBondContact O-N 3.33Å |
| 1074 | K | 80.9 | Confident | 75.6 | Confident | 149 Ų | 149 | 89.2 Ų | 89.2 | 65% | 0.648 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -68.1 | -43.6 | 176.7 | -72.6 | 174.7 | -179.6 | -173.9 | 0 | 112.3 | S1070 Q1071 M1072 A1077 A1078 | S1070-K1074 WeakPolarHBondContact O-CG 3.42Å; S1070-K1074 PolarHBondContact O-N 3.02Å; Q1071-K1074 WeakPolarHBondContact O-CB 3.18Å; Q1071-K1074 PolarHBondContact O-N 3.49Å; Q1071-K1074 VanDerWaalsContact O-N 3.1Å; M1072-K1074 VanDerWaalsContact C-N 3.34Å; K1074-A1077 PolarHBondContact O-N 2.93Å; K1074-A1078 WeakPolarHBondContact O-CB 3.38Å; K1074-A1078 PolarHBondContact O-N 2.79Å |
| 1075 | S | 77.8 | Confident | 74.1 | Confident | 74 Ų | 74 | 89 Ų | 89 | 52% | 0.517 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.5 | -40.3 | 177.3 | 60 | 0 | 0 | 0 | 0 | 112.2 | Q1071 M1072 A1077 A1078 S1079 | Q1071-S1075 PolarHBondContact O-N 3.38Å; Q1071-S1075 PolarHBondContact O-OG 2.97Å; M1072-S1075 PolarHBondContact O-OG 2.83Å; M1072-S1075 VanDerWaalsContact O-OG 3.14Å; S1075-A1077 VanDerWaalsContact C-N 3.35Å; S1075-A1077 PolarHBondContact O-N 2.88Å; S1075-A1078 PolarHBondContact O-N 3.14Å; S1075-S1079 VanDerWaalsContact O-CB 3.31Å; S1075-S1079 WeakPolarHBondContact O-CB 3.45Å; S1075-S1079 PolarHBondContact O-N 2.84Å |
| 1076 | A | 76.3 | Confident | 72.6 | Confident | 53 Ų | 53 | 91.6 Ų | 91.6 | 44% | 0.438 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.5 | -36.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | M1072 K1080 | M1072-A1076 VanDerWaalsContact O-CB 3.24Å; M1072-A1076 WeakPolarHBondContact O-CB 3.29Å; M1072-A1076 PolarHBondContact O-N 2.89Å; A1076-K1080 WeakPolarHBondContact O-CG 3.32Å; A1076-K1080 PolarHBondContact O-N 3.43Å; A1076-K1080 VanDerWaalsContact O-N 3.09Å |
| 1077 | A | 73.2 | Confident | 71.1 | Confident | 57 Ų | 57 | 98.6 Ų | 98.6 | 47% | 0.471 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.4 | -45.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K1073 K1074 S1075 S1079 K1080 V1081 | K1073-A1077 VanDerWaalsContact O-CB 3.29Å; K1073-A1077 WeakPolarHBondContact O-CB 3.28Å; K1073-A1077 PolarHBondContact O-N 3.33Å; K1074-A1077 PolarHBondContact O-N 2.93Å; S1075-A1077 VanDerWaalsContact C-N 3.35Å; S1075-A1077 PolarHBondContact O-N 2.88Å; A1077-S1079 VanDerWaalsContact C-N 3.35Å; A1077-S1079 PolarHBondContact O-N 3.17Å; A1077-K1080 PolarHBondContact O-N 2.83Å; A1077-V1081 WeakPolarHBondContact O-CG2 3.31Å; A1077-V1081 PolarHBondContact O-N 3.3Å; A1077-V1081 VanDerWaalsContact O-N 3.13Å |
| 1078 | A | 68.8 | Low | 69.5 | Low | 62 Ų | 62 | 98.8 Ų | 98.8 | 51% | 0.512 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.6 | -42 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | K1074 S1075 V1081 A1082 | K1074-A1078 WeakPolarHBondContact O-CB 3.38Å; K1074-A1078 PolarHBondContact O-N 2.79Å; S1075-A1078 PolarHBondContact O-N 3.14Å; A1078-V1081 PolarHBondContact O-N 2.64Å; A1078-A1082 WeakPolarHBondContact O-CB 3.3Å; A1078-A1082 PolarHBondContact O-N 3.28Å |
| 1079 | S | 65.8 | Low | 68.1 | Low | 77 Ų | 77 | 105 Ų | 105 | 54% | 0.538 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -59.6 | -46.1 | 174.8 | 172.2 | 0 | 0 | 0 | 0 | 111.9 | S1075 A1077 V1081 A1082 S1083 | S1075-S1079 VanDerWaalsContact O-CB 3.31Å; S1075-S1079 WeakPolarHBondContact O-CB 3.45Å; S1075-S1079 PolarHBondContact O-N 2.84Å; A1077-S1079 VanDerWaalsContact C-N 3.35Å; A1077-S1079 PolarHBondContact O-N 3.17Å; S1079-V1081 VanDerWaalsContact C-N 3.28Å; S1079-V1081 PolarHBondContact O-N 3.41Å; S1079-A1082 PolarHBondContact O-N 3.03Å; S1079-S1083 WeakPolarHBondContact O-CB 3.37Å; S1079-S1083 PolarHBondContact O-N 3.27Å; S1079-S1083 PolarHBondContact O-OG 3.35Å |
| 1080 | K | 64 | Low | 66.9 | Low | 164 Ų | 164 | 107.4 Ų | 107.4 | 71% | 0.713 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -63.8 | -28.7 | 176.6 | -77.9 | -172.7 | 175.1 | -167.5 | 0 | 114.4 | A1076 A1077 S1083 | A1076-K1080 WeakPolarHBondContact O-CG 3.32Å; A1076-K1080 PolarHBondContact O-N 3.43Å; A1076-K1080 VanDerWaalsContact O-N 3.09Å; A1077-K1080 PolarHBondContact O-N 2.83Å; K1080-S1083 WeakPolarHBondContact CA-OG 3.47Å; K1080-S1083 PolarHBondContact O-OG 3.48Å; K1080-S1083 VanDerWaalsContact O-OG 3.1Å |
| 1081 | V | 59.8 | Low | 65 | Low | 117 Ų | 117 | 116.3 Ų | 116.3 | 71% | 0.709 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -79.9 | -37.5 | 174.7 | 174 | 0 | 0 | 0 | 0 | 111 | A1077 A1078 S1079 S1083 | A1077-V1081 WeakPolarHBondContact O-CG2 3.31Å; A1077-V1081 PolarHBondContact O-N 3.3Å; A1077-V1081 VanDerWaalsContact O-N 3.13Å; A1078-V1081 PolarHBondContact O-N 2.64Å; S1079-V1081 VanDerWaalsContact C-N 3.28Å; S1079-V1081 PolarHBondContact O-N 3.41Å; V1081-S1083 VanDerWaalsContact C-N 3.32Å; V1081-S1083 PolarHBondContact O-N 2.91Å |
| 1082 | A | 55.9 | Low | 62.9 | Low | 66 Ų | 66 | 123.6 Ų | 123.6 | 55% | 0.545 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -68 | -29.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A1078 S1079 D1084 | A1078-A1082 WeakPolarHBondContact O-CB 3.3Å; A1078-A1082 PolarHBondContact O-N 3.28Å; S1079-A1082 PolarHBondContact O-N 3.03Å; A1082-D1084 VanDerWaalsContact C-N 3.33Å; A1082-D1084 PolarHBondContact O-N 2.93Å |
| 1083 | S | 54.8 | Low | 62 | Low | 89 Ų | 89 | 125.5 Ų | 125.5 | 62% | 0.622 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -2.4 | -178.7 | 61.6 | 0 | 0 | 0 | 0 | 115.5 | S1079 K1080 V1081 | S1079-S1083 WeakPolarHBondContact O-CB 3.37Å; S1079-S1083 PolarHBondContact O-N 3.27Å; S1079-S1083 PolarHBondContact O-OG 3.35Å; K1080-S1083 WeakPolarHBondContact CA-OG 3.47Å; K1080-S1083 PolarHBondContact O-OG 3.48Å; K1080-S1083 VanDerWaalsContact O-OG 3.1Å; V1081-S1083 VanDerWaalsContact C-N 3.32Å; V1081-S1083 PolarHBondContact O-N 2.91Å |
| 1084 | D | 55.3 | Low | 61 | Low | 53 Ų | 53 | 123.5 Ų | 123.5 | 28% | 0.283 | 64% | 0.64 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -125.5 | 39.4 | -175.7 | -160.9 | 4 | 0 | 0 | 0 | 113.3 | A1082 S1086 R1087 | A1082-D1084 VanDerWaalsContact C-N 3.33Å; A1082-D1084 PolarHBondContact O-N 2.93Å; D1084-S1086 PolarHBondContact O-N 3.35Å; D1084-S1086 PolarHBondContact OD1-OG 3.23Å; D1084-R1087 PolarHBondContact O-N 3.47Å; D1084-R1087 WeakPolarHBondContact OD1-CG 3.34Å; D1084-R1087 PolarHBondContact OD1-N 3.45Å; D1084-R1087 VanDerWaalsContact OD2-CD 3.31Å; D1084-R1087 WeakPolarHBondContact OD2-CD 3.36Å; D1084-R1087 IonicContact OD2-CZ 3.32Å; D1084-R1087 VanDerWaalsContact OD2-CZ 3.32Å; D1084-R1087 IonicContact OD2-NE 3.6Å; D1084-R1087 IonicContact OD2-NH1 2.64Å; D1084-R1087 PolarHBondContact OD2-NH1 2.78Å |
| 1085 | I | 57.6 | Low | 59.9 | Low | 106 Ų | 106 | 122.1 Ų | 122.1 | 54% | 0.544 | 64% | 0.64 | S | S | . | * | G | 310 helix | trans | -59.8 | -25.3 | 168.8 | -68.3 | 171.6 | 0 | 0 | 0 | 110.9 | R1087 F1088 F1089 | I1085-R1087 VanDerWaalsContact C-N 3.27Å; I1085-R1087 PolarHBondContact O-N 3.25Å; I1085-F1088 WeakPolarHBondContact O-CB 3.42Å; I1085-F1088 PolarHBondContact O-N 3.45Å; I1085-F1089 HydrophobicContact CG2-CD2 4.1Å; I1085-F1089 HydrophobicContact CG2-CE2 3.72Å |
| 1086 | S | 56.1 | Low | 58.8 | Low | 72 Ų | 72 | 124.9 Ų | 124.9 | 50% | 0.503 | 65% | 0.647 | S | S | . | * | G | 310 helix | trans | -46.3 | -43.1 | 171.2 | 26.8 | 0 | 0 | 0 | 0 | 114 | D1084 F1088 F1089 | D1084-S1086 PolarHBondContact O-N 3.35Å; D1084-S1086 PolarHBondContact OD1-OG 3.23Å; S1086-F1088 VanDerWaalsContact C-N 3.26Å; S1086-F1088 PolarHBondContact O-N 2.93Å; S1086-F1089 PolarHBondContact O-N 3.26Å |
| 1087 | R | 54.2 | Low | 57.7 | Low | 193 Ų | 193 | 129.4 Ų | 129.4 | 73% | 0.728 | 66% | 0.66 | S | S | * | * | G | 310 helix | trans | -71.5 | -16.8 | 178.6 | -80.8 | -174.9 | 178.9 | 128.4 | 5.5 | 114.4 | D1084 I1085 F1089 | D1084-R1087 PolarHBondContact O-N 3.47Å; D1084-R1087 WeakPolarHBondContact OD1-CG 3.34Å; D1084-R1087 PolarHBondContact OD1-N 3.45Å; D1084-R1087 VanDerWaalsContact OD2-CD 3.31Å; D1084-R1087 WeakPolarHBondContact OD2-CD 3.36Å; D1084-R1087 IonicContact OD2-CZ 3.32Å; D1084-R1087 VanDerWaalsContact OD2-CZ 3.32Å; D1084-R1087 IonicContact OD2-NE 3.6Å; D1084-R1087 IonicContact OD2-NH1 2.64Å; D1084-R1087 PolarHBondContact OD2-NH1 2.78Å; I1085-R1087 VanDerWaalsContact C-N 3.27Å; I1085-R1087 PolarHBondContact O-N 3.25Å; R1087-F1089 VanDerWaalsContact C-N 3.33Å |
| 1088 | F | 54.5 | Low | 56.7 | Low | 185 Ų | 185 | 134.2 Ų | 134.2 | 81% | 0.811 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -79.2 | -17.1 | 179.4 | -142.7 | -87.3 | 0 | 0 | 0 | 113 | I1085 S1086 | I1085-F1088 WeakPolarHBondContact O-CB 3.42Å; I1085-F1088 PolarHBondContact O-N 3.45Å; S1086-F1088 VanDerWaalsContact C-N 3.26Å; S1086-F1088 PolarHBondContact O-N 2.93Å |
| 1089 | F | 57.6 | Low | 55.8 | Low | 165 Ų | 165 | 139.4 Ų | 139.4 | 72% | 0.724 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -102.4 | -4.5 | -178.6 | -73.4 | -76.9 | 0 | 0 | 0 | 114.7 | I1085 S1086 R1087 R1091 | I1085-F1089 HydrophobicContact CG2-CD2 4.1Å; I1085-F1089 HydrophobicContact CG2-CE2 3.72Å; S1086-F1089 PolarHBondContact O-N 3.26Å; R1087-F1089 VanDerWaalsContact C-N 3.33Å; F1089-R1091 PolarHBondContact O-N 3.29Å |
| 1090 | I | 59.5 | Low | 55.1 | Low | 139 Ų | 139 | 144.2 Ų | 144.2 | 71% | 0.713 | 70% | 0.695 | S | S | * | * | trans | -97.5 | 64.8 | 179.4 | -50.9 | 176.3 | 0 | 0 | 0 | 110.4 | ||||
| 1091 | R | 44.3 | Very low | 54.3 | Low | 241 Ų | 241 | 142.5 Ų | 142.5 | 91% | 0.909 | 69% | 0.694 | S | S | * | * | trans | -167.6 | 99 | 154.1 | -109 | 172.3 | -173.6 | -170.1 | 0.4 | 109.6 | F1089 | F1089-R1091 PolarHBondContact O-N 3.29Š| ||
| 1092 | K | 42.4 | Very low | 53.8 | Low | 284 Ų | 284 | 144.8 Ų | 144.8 | 100% | 1.235 | 69% | 0.693 | S | S | * | * | trans | -94.2 | 0 | 145.5 | -86.5 | -172.2 | 171 | -175.6 | 0 | 107.6 |
Retrieved 1,092 of 1,092 residues in 337.2 ms
(Link to these results)