| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 58.3 | Low | 84.3 | Confident | 188 Ų | 188 | 55.2 Ų | 55.2 | 93% | 0.926 | 30% | 0.303 | S | S | * | . | 0 | 125 | 0 | -70.6 | 170.5 | 160.9 | 0 | 0 | 106.9 | A3 | M1-A3 PolarHBondContact O-N 3.07Š| |||
| 2 | P | 76.9 | Confident | 83.2 | Confident | 92 Ų | 92 | 57.8 Ų | 57.8 | 60% | 0.597 | 35% | 0.353 | S | S | * | . | trans | -68.6 | 126.8 | 177.3 | 27.9 | -31.4 | 0 | 0 | 0 | 109.4 | ||||
| 3 | A | 83 | Confident | 82.2 | Confident | 52 Ų | 52 | 59.7 Ų | 59.7 | 43% | 0.43 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 134.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | M1 L21 | M1-A3 PolarHBondContact O-N 3.07Å; A3-L21 HydrophobicContact CB-CD1 4.36Å; A3-L21 HydrophobicContact CB-CD2 3.86Å; A3-L21 HydrophobicContact CB-CG 4.13Å |
| 4 | I | 87 | Confident | 80.9 | Confident | 12 Ų | 12 | 59.9 Ų | 59.9 | 6% | 0.062 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 140 | 174.9 | 67.3 | 171.9 | 0 | 0 | 0 | 109.2 | I6 V22 L61 D68 | I4-I6 HydrophobicContact CD1-CD1 4.07Å; I4-I6 HydrophobicContact CD1-CG1 4.34Å; I4-I6 HydrophobicContact CG1-CD1 4.47Å; I4-I6 HydrophobicContact CG1-CG1 4.42Å; I4-V22 HydrophobicContact CD1-CG2 4.03Å; I4-V22 HydrophobicContact CG1-CG2 3.64Å; I4-V22 WeakPolarHBondContact CG1-O 3.31Å; I4-V22 PolarHBondContact N-O 3.32Å; I4-V22 PolarHBondContact O-N 3.39Å; I4-L61 HydrophobicContact CD1-CB 4.38Å; I4-L61 HydrophobicContact CD1-CD1 3.84Å; I4-L61 HydrophobicContact CD1-CD2 4.03Å; I4-L61 HydrophobicContact CD1-CG 4.3Å; I4-D68 HydrophobicContact CB-CB 4.26Å; I4-D68 HydrophobicContact CG2-CB 4.26Å |
| 5 | V | 90.4 | Very high | 79.9 | Confident | 45 Ų | 45 | 68 Ų | 68 | 27% | 0.273 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 121 | 178.3 | -179.2 | 0 | 0 | 0 | 0 | 108.1 | T19 D68 G69 | V5-T19 HydrophobicContact CG1-CG2 3.34Å; V5-D68 WeakPolarHBondContact CB-OD1 3.25Å; V5-D68 PolarHBondContact N-OD1 2.77Å; V5-G69 WeakPolarHBondContact O-CA 3.15Å; V5-G69 PolarHBondContact O-N 3.45Å |
| 6 | I | 90.1 | Very high | 79.9 | Confident | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 133.8 | 177.9 | -58.7 | 176.4 | 0 | 0 | 0 | 108.5 | I4 V8 V20 V22 I31 L61 V72 | I4-I6 HydrophobicContact CD1-CD1 4.07Å; I4-I6 HydrophobicContact CD1-CG1 4.34Å; I4-I6 HydrophobicContact CG1-CD1 4.47Å; I4-I6 HydrophobicContact CG1-CG1 4.42Å; I6-V8 HydrophobicContact CG2-CG2 4.09Å; I6-V20 HydrophobicContact CB-CG2 3.89Å; I6-V20 HydrophobicContact CG2-CG2 4.39Å; I6-V20 PolarHBondContact N-O 3.29Å; I6-V20 WeakPolarHBondContact O-CG2 3.42Å; I6-V20 PolarHBondContact O-N 3.25Å; I6-V22 HydrophobicContact CD1-CG2 3.51Å; I6-V22 HydrophobicContact CG1-CG2 4.14Å; I6-I31 HydrophobicContact CD1-CD1 3.83Å; I6-I31 HydrophobicContact CD1-CG1 4.4Å; I6-L61 HydrophobicContact CD1-CD2 3.44Å; I6-L61 VanDerWaalsContact CD1-CD2 3.44Å; I6-V72 HydrophobicContact CG2-CB 4.47Å; I6-V72 HydrophobicContact CG2-CG2 3.78Å |
| 7 | H | 90.8 | Very high | 80.2 | Confident | 58 Ų | 58 | 69.4 Ų | 69.4 | 27% | 0.269 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 121.3 | 175 | -62.5 | -64.2 | 0 | 0 | 0 | 109.1 | P17 L18 T19 C70 L71 V72 | H7-P17 HydrophobicContact CB-CB 4.12Å; H7-L18 CarbonylContact C-O 3.57Å; H7-L18 WeakPolarHBondContact CA-O 3.46Å; H7-T19 PolarHBondContact ND1-OG1 3.49Å; H7-T19 VanDerWaalsContact ND1-OG1 3.16Å; H7-C70 PolarHBondContact N-O 3.1Å; H7-L71 HydrophobicContact CB-CD1 3.8Å; H7-L71 CarbonylContact O-C 3.6Å; H7-L71 VanDerWaalsContact O-CA 3.31Å; H7-L71 WeakPolarHBondContact O-CA 3.27Å; H7-V72 PolarHBondContact O-N 3.18Å |
| 8 | V | 90.7 | Very high | 80.6 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 109.8 | -177.4 | -176.9 | 0 | 0 | 0 | 0 | 109.1 | I6 P17 L18 V20 L35 L48 V72 L74 | I6-V8 HydrophobicContact CG2-CG2 4.09Å; V8-P17 CarbonylContact O-C 3.57Å; V8-P17 WeakPolarHBondContact O-CA 3.33Å; V8-L18 PolarHBondContact N-O 2.9Å; V8-L18 PolarHBondContact O-N 3.33Å; V8-V20 HydrophobicContact CG2-CG2 3.97Å; V8-L35 HydrophobicContact CB-CD1 4.37Å; V8-L35 HydrophobicContact CB-CD2 3.88Å; V8-L35 HydrophobicContact CG1-CD1 3.81Å; V8-L35 HydrophobicContact CG1-CD2 3.91Å; V8-L35 HydrophobicContact CG2-CD1 4.08Å; V8-L35 HydrophobicContact CG2-CD2 4Å; V8-L35 HydrophobicContact CG2-CG 4.5Å; V8-L48 HydrophobicContact CG1-CD2 3.94Å; V8-V72 CarbonylContact C-O 3.6Å; V8-V72 WeakPolarHBondContact CA-O 3.49Å; V8-L74 HydrophobicContact CG1-CB 3.66Å |
| 9 | K | 89.4 | Confident | 81.1 | Confident | 76 Ų | 76 | 68.4 Ų | 68.4 | 33% | 0.33 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 112.6 | 176.4 | -174.1 | 173.5 | -174.9 | 175.5 | 0 | 110.1 | L11 P17 L71 V72 H73 L74 | K9-L11 PolarHBondContact O-N 2.88Å; K9-P17 HydrophobicContact CB-CB 4.37Å; K9-L71 HydrophobicContact CB-CD1 4.15Å; K9-V72 PolarHBondContact N-O 3.39Å; K9-H73 CarbonylContact O-C 3.58Å; K9-H73 WeakPolarHBondContact O-CA 3.38Å; K9-L74 PolarHBondContact O-N 3.21Å |
| 10 | V | 86 | Confident | 81.5 | Confident | 11 Ų | 11 | 65 Ų | 65 | 7% | 0.067 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 120.2 | 174.2 | -166.8 | 0 | 0 | 0 | 0 | 109.1 | G12 V13 L39 L74 L76 | V10-G12 PolarHBondContact O-N 2.75Å; V10-V13 HydrophobicContact CB-CB 4.26Å; V10-V13 HydrophobicContact CG1-CB 3.93Å; V10-V13 HydrophobicContact CG1-CG2 4.12Å; V10-L39 HydrophobicContact CG2-CD1 3.69Å; V10-L39 HydrophobicContact CG2-CD2 4.21Å; V10-L74 HydrophobicContact CG1-CD2 4.35Å; V10-L74 HydrophobicContact CG2-CB 4.47Å; V10-L74 HydrophobicContact CG2-CD2 4.03Å; V10-L76 HydrophobicContact CG1-CD1 4.24Å; V10-L76 HydrophobicContact CG1-CG 4.3Å |
| 11 | L | 84.7 | Confident | 81.9 | Confident | 73 Ų | 73 | 66.6 Ų | 66.6 | 38% | 0.382 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -80.5 | 119.8 | 176.2 | -63.3 | 179.8 | 0 | 0 | 0 | 108.5 | K9 H73 L74 L75 | K9-L11 PolarHBondContact O-N 2.88Å; L11-H73 HydrophobicContact CD1-CB 3.94Å; L11-H73 HydrophobicContact CG-CB 4.21Å; L11-L74 PolarHBondContact N-O 2.92Å; L11-L75 HydrophobicContact CB-CD2 3.81Å; L11-L75 HydrophobicContact CD1-CD2 3.48Å; L11-L75 VanDerWaalsContact CD1-CD2 3.48Å; L11-L75 HydrophobicContact CD1-CG 4.02Å; L11-L75 HydrophobicContact CG-CD2 4.22Å |
| 12 | G | 71.7 | Confident | 83.4 | Confident | 87 Ų | 87 | 57.6 Ų | 57.6 | 90% | 0.897 | 35% | 0.351 | S | S | * | . | S | Bend | trans | 104.3 | -25 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | V10 | V10-G12 PolarHBondContact O-N 2.75Š|
| 13 | V | 69.3 | Low | 83.9 | Confident | 82 Ų | 82 | 55.7 Ų | 55.7 | 50% | 0.497 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -116.2 | 101.5 | -179.8 | -174.3 | 0 | 0 | 0 | 0 | 109.6 | V10 L76 | V10-V13 HydrophobicContact CB-CB 4.26Å; V10-V13 HydrophobicContact CG1-CB 3.93Å; V10-V13 HydrophobicContact CG1-CG2 4.12Å; V13-L76 HydrophobicContact CG2-CD1 4.18Å |
| 14 | G | 64.2 | Low | 83.8 | Confident | 63 Ų | 63 | 56.1 Ų | 56.1 | 65% | 0.649 | 33% | 0.331 | S | S | * | . | trans | 67.6 | 172.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 15 | K | 65.6 | Low | 83.6 | Confident | 181 Ų | 181 | 59 Ų | 59 | 79% | 0.787 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -97.4 | -26 | -179.7 | -67.4 | -179.3 | -178.1 | 175.6 | 0 | 113 | ||
| 16 | N | 80.6 | Confident | 83.5 | Confident | 101 Ų | 101 | 58.4 Ų | 58.4 | 54% | 0.54 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -84.6 | 129.2 | -169.3 | -66.4 | 5 | 0 | 0 | 0 | 110.7 | ||
| 17 | P | 85.2 | Confident | 83.4 | Confident | 58 Ų | 58 | 64.9 Ų | 64.9 | 38% | 0.377 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -73.5 | 143.8 | 175.2 | 31.2 | -33.3 | 0 | 0 | 0 | 110.7 | H7 V8 K9 L71 | H7-P17 HydrophobicContact CB-CB 4.12Å; V8-P17 CarbonylContact O-C 3.57Å; V8-P17 WeakPolarHBondContact O-CA 3.33Å; K9-P17 HydrophobicContact CB-CB 4.37Å; P17-L71 HydrophobicContact CB-CD1 4.02Å |
| 18 | L | 87.6 | Confident | 83.3 | Confident | 45 Ų | 45 | 62.1 Ų | 62.1 | 24% | 0.236 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 130.6 | 174.5 | -171.1 | 58.6 | 0 | 0 | 0 | 109.9 | H7 V8 L35 Q38 L39 | H7-L18 CarbonylContact C-O 3.57Å; H7-L18 WeakPolarHBondContact CA-O 3.46Å; V8-L18 PolarHBondContact N-O 2.9Å; V8-L18 PolarHBondContact O-N 3.33Å; L18-L35 HydrophobicContact CD2-CD2 3.54Å; L18-L35 HydrophobicContact CG-CD2 4.31Å; L18-Q38 HydrophobicContact CD2-CB 3.8Å; L18-L39 HydrophobicContact CD2-CD1 4.32Å; L18-L39 HydrophobicContact CD2-CD2 3.95Å; L18-L39 HydrophobicContact CD2-CG 3.9Å |
| 19 | T | 89.6 | Confident | 83.3 | Confident | 75 Ų | 75 | 64.6 Ų | 64.6 | 46% | 0.46 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 121.9 | -178.5 | -57.6 | 0 | 0 | 0 | 0 | 110.1 | V5 H7 | V5-T19 HydrophobicContact CG1-CG2 3.34Å; H7-T19 PolarHBondContact ND1-OG1 3.49Å; H7-T19 VanDerWaalsContact ND1-OG1 3.16Å |
| 20 | V | 89.3 | Confident | 83.3 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.006 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 131.9 | 177.7 | -63.1 | 0 | 0 | 0 | 0 | 110.4 | I6 V8 I31 L35 | I6-V20 HydrophobicContact CB-CG2 3.89Å; I6-V20 HydrophobicContact CG2-CG2 4.39Å; I6-V20 PolarHBondContact N-O 3.29Å; I6-V20 WeakPolarHBondContact O-CG2 3.42Å; I6-V20 PolarHBondContact O-N 3.25Å; V8-V20 HydrophobicContact CG2-CG2 3.97Å; V20-I31 HydrophobicContact CG2-CG2 4.11Å; V20-L35 HydrophobicContact CG1-CD2 3.83Å; V20-L35 HydrophobicContact CG1-CG 4.33Å |
| 21 | L | 89.4 | Confident | 83.5 | Confident | 98 Ų | 98 | 62.6 Ų | 62.6 | 51% | 0.513 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 121 | 178.2 | -171.6 | 148.2 | 0 | 0 | 0 | 109.3 | A3 K34 | A3-L21 HydrophobicContact CB-CD1 4.36Å; A3-L21 HydrophobicContact CB-CD2 3.86Å; A3-L21 HydrophobicContact CB-CG 4.13Å; L21-K34 WeakPolarHBondContact O-CE 3.07Å; L21-K34 PolarHBondContact O-NZ 2.73Å |
| 22 | V | 89.2 | Confident | 83.7 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 169.1 | 179.8 | -63.7 | 0 | 0 | 0 | 0 | 109.8 | I4 I6 I31 K34 L61 | I4-V22 HydrophobicContact CD1-CG2 4.03Å; I4-V22 HydrophobicContact CG1-CG2 3.64Å; I4-V22 WeakPolarHBondContact CG1-O 3.31Å; I4-V22 PolarHBondContact N-O 3.32Å; I4-V22 PolarHBondContact O-N 3.39Å; I6-V22 HydrophobicContact CD1-CG2 3.51Å; I6-V22 HydrophobicContact CG1-CG2 4.14Å; V22-I31 HydrophobicContact CG1-CG1 3.94Å; V22-I31 HydrophobicContact CG2-CG1 4.27Å; V22-K34 HydrophobicContact CG1-CD 3.82Å; V22-L61 HydrophobicContact CB-CD1 4.34Å; V22-L61 HydrophobicContact CG2-CD1 3.71Å; V22-L61 HydrophobicContact CG2-CD2 4.34Å |
| 23 | N | 88.4 | Confident | 84.6 | Confident | 52 Ų | 52 | 60.4 Ų | 60.4 | 28% | 0.278 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 152.9 | 176.8 | -53.7 | -69.9 | 0 | 0 | 0 | 110.5 | S25 D26 L61 | N23-S25 PolarHBondContact O-N 3.46Å; N23-S25 VanDerWaalsContact O-N 3.09Å; N23-D26 WeakPolarHBondContact CB-OD2 3.46Å; N23-D26 PolarHBondContact N-OD2 3.16Å; N23-D26 PolarHBondContact ND2-OD2 2.79Å; N23-D26 VanDerWaalsContact ND2-OD2 3.1Å; N23-D26 VanDerWaalsContact O-CB 3.28Å; N23-D26 WeakPolarHBondContact O-CB 3.32Å; N23-D26 PolarHBondContact O-N 2.63Å; N23-L61 WeakPolarHBondContact O-CD1 3.42Å |
| 24 | D | 79.9 | Confident | 85.6 | Confident | 61 Ų | 61 | 60.3 Ų | 60.3 | 33% | 0.326 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -26.1 | 179.6 | -167.3 | 36.9 | 0 | 0 | 0 | 114.2 | D26 T62 | D24-D26 VanDerWaalsContact C-N 3.35Å; D24-T62 WeakPolarHBondContact OD1-CG2 2.95Å; D24-T62 WeakPolarHBondContact OD2-CG2 3.13Å |
| 25 | S | 82.9 | Confident | 86.7 | Confident | 71 Ų | 71 | 57.3 Ų | 57.3 | 50% | 0.497 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -9.6 | 174.9 | 56.2 | 0 | 0 | 0 | 0 | 114.5 | N23 | N23-S25 PolarHBondContact O-N 3.46Å; N23-S25 VanDerWaalsContact O-N 3.09Å |
| 26 | D | 88.4 | Confident | 87.6 | Confident | 34 Ų | 34 | 49.8 Ų | 49.8 | 18% | 0.182 | 27% | 0.266 | C | S | . | . | trans | -74.6 | 156.8 | -177.2 | -65.2 | -19.7 | 0 | 0 | 0 | 111.1 | N23 D24 V30 L61 | N23-D26 WeakPolarHBondContact CB-OD2 3.46Å; N23-D26 PolarHBondContact N-OD2 3.16Å; N23-D26 PolarHBondContact ND2-OD2 2.79Å; N23-D26 VanDerWaalsContact ND2-OD2 3.1Å; N23-D26 VanDerWaalsContact O-CB 3.28Å; N23-D26 WeakPolarHBondContact O-CB 3.32Å; N23-D26 PolarHBondContact O-N 2.63Å; D24-D26 VanDerWaalsContact C-N 3.35Å; D26-V30 HydrophobicContact CB-CB 4.28Å; D26-V30 HydrophobicContact CB-CG1 4.49Å; D26-V30 HydrophobicContact CB-CG2 4.25Å; D26-L61 HydrophobicContact CB-CD1 3.96Å; D26-L61 WeakPolarHBondContact O-CD1 3.4Å; D26-L61 WeakPolarHBondContact O-CG 3.43Å; D26-L61 PolarHBondContact O-N 3.34Å | ||
| 27 | R | 89 | Confident | 87.8 | Confident | 135 Ų | 135 | 51 Ų | 51 | 51% | 0.509 | 27% | 0.268 | S | S | . | . | B | Isolated β-bridge | trans | -92.8 | 160.8 | 176.2 | -62 | -177.8 | -171.8 | 168.1 | 2.9 | 110.8 | C29 V30 | R27-C29 PolarHBondContact O-N 2.75Å; R27-V30 WeakPolarHBondContact O-CB 3.48Å; R27-V30 PolarHBondContact O-N 2.87Å |
| 28 | I | 89.1 | Confident | 87.6 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.6 | -30.7 | 175.2 | -69.7 | 165.9 | 0 | 0 | 0 | 111.7 | V30 I31 K32 L48 L55 D56 K59 E64 | I28-V30 PolarHBondContact O-N 3.11Å; I28-I31 HydrophobicContact CG1-CD1 4.4Å; I28-I31 WeakPolarHBondContact O-CB 3.44Å; I28-I31 PolarHBondContact O-N 3.4Å; I28-I31 VanDerWaalsContact O-N 3.1Å; I28-K32 HydrophobicContact CG2-CG 4.46Å; I28-K32 PolarHBondContact O-N 2.86Å; I28-L48 HydrophobicContact CG2-CD1 4.07Å; I28-L55 HydrophobicContact CD1-CB 3.65Å; I28-L55 HydrophobicContact CD1-CD1 4.23Å; I28-L55 HydrophobicContact CD1-CD2 3.99Å; I28-L55 HydrophobicContact CD1-CG 4.18Å; I28-L55 HydrophobicContact CG1-CB 4.43Å; I28-L55 HydrophobicContact CG2-CB 3.88Å; I28-D56 WeakPolarHBondContact CB-O 3.35Å; I28-K59 HydrophobicContact CD1-CB 3.57Å; I28-K59 WeakPolarHBondContact CG1-O 3.37Å; I28-K59 PolarHBondContact N-O 2.79Å; I28-E64 HydrophobicContact CD1-CB 4.47Å; I28-E64 HydrophobicContact CD1-CG 3.89Å |
| 29 | C | 89.4 | Confident | 87.3 | Confident | 53 Ų | 53 | 52.9 Ų | 52.9 | 36% | 0.358 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -52.3 | -41.8 | 172 | -169.3 | 0 | 0 | 0 | 0 | 112.7 | R27 I31 K32 E33 N57 | R27-C29 PolarHBondContact O-N 2.75Å; C29-I31 VanDerWaalsContact C-N 3.34Å; C29-I31 PolarHBondContact O-N 2.75Å; C29-K32 PolarHBondContact O-N 3.39Å; C29-E33 WeakPolarHBondContact O-CB 3.5Å; C29-E33 PolarHBondContact O-N 2.86Å; C29-N57 HydrophobicContact CB-CB 4.21Å |
| 30 | V | 90.3 | Very high | 86.7 | Confident | 42 Ų | 42 | 55.1 Ų | 55.1 | 26% | 0.255 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.5 | -38.2 | 179.4 | -178.1 | 0 | 0 | 0 | 0 | 111.3 | D26 R27 I28 E33 K34 | D26-V30 HydrophobicContact CB-CB 4.28Å; D26-V30 HydrophobicContact CB-CG1 4.49Å; D26-V30 HydrophobicContact CB-CG2 4.25Å; R27-V30 WeakPolarHBondContact O-CB 3.48Å; R27-V30 PolarHBondContact O-N 2.87Å; I28-V30 PolarHBondContact O-N 3.11Å; V30-E33 PolarHBondContact O-N 2.79Å; V30-K34 HydrophobicContact CG1-CD 4.44Å; V30-K34 WeakPolarHBondContact O-CG 3.39Å; V30-K34 PolarHBondContact O-N 3.19Å |
| 31 | I | 89.2 | Confident | 86.2 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.2 | -48.3 | 175.5 | -57.4 | 165.3 | 0 | 0 | 0 | 109.6 | I6 V20 V22 I28 C29 E33 K34 L35 L48 L61 | I6-I31 HydrophobicContact CD1-CD1 3.83Å; I6-I31 HydrophobicContact CD1-CG1 4.4Å; V20-I31 HydrophobicContact CG2-CG2 4.11Å; V22-I31 HydrophobicContact CG1-CG1 3.94Å; V22-I31 HydrophobicContact CG2-CG1 4.27Å; I28-I31 HydrophobicContact CG1-CD1 4.4Å; I28-I31 WeakPolarHBondContact O-CB 3.44Å; I28-I31 PolarHBondContact O-N 3.4Å; I28-I31 VanDerWaalsContact O-N 3.1Å; C29-I31 VanDerWaalsContact C-N 3.34Å; C29-I31 PolarHBondContact O-N 2.75Å; I31-E33 VanDerWaalsContact C-N 3.31Å; I31-E33 PolarHBondContact O-N 3.04Å; I31-K34 PolarHBondContact O-N 2.92Å; I31-L35 HydrophobicContact CG2-CD1 3.95Å; I31-L35 HydrophobicContact CG2-CG 4.4Å; I31-L35 WeakPolarHBondContact O-CB 3.23Å; I31-L35 VanDerWaalsContact O-CG 3.27Å; I31-L35 WeakPolarHBondContact O-CG 3.42Å; I31-L35 PolarHBondContact O-N 2.8Å; I31-L48 HydrophobicContact CB-CD1 4.39Å; I31-L48 HydrophobicContact CG2-CD1 3.97Å; I31-L61 HydrophobicContact CD1-CD2 3.4Å; I31-L61 VanDerWaalsContact CD1-CD2 3.4Å; I31-L61 HydrophobicContact CD1-CG 4.27Å; I31-L61 HydrophobicContact CG1-CD2 4.42Å |
| 32 | K | 90.2 | Very high | 85.9 | Confident | 15 Ų | 15 | 52.7 Ų | 52.7 | 7% | 0.065 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.8 | -36.1 | 179 | -65.7 | -174.2 | -175.8 | 179.4 | 0 | 112.3 | I28 C29 L35 S36 V43 Q46 L48 L55 N57 | I28-K32 HydrophobicContact CG2-CG 4.46Å; I28-K32 PolarHBondContact O-N 2.86Å; C29-K32 PolarHBondContact O-N 3.39Å; K32-L35 PolarHBondContact O-N 3.36Å; K32-S36 VanDerWaalsContact O-CB 3.23Å; K32-S36 WeakPolarHBondContact O-CB 3.31Å; K32-S36 PolarHBondContact O-N 2.97Å; K32-V43 HydrophobicContact CB-CB 4.39Å; K32-V43 HydrophobicContact CB-CG1 3.72Å; K32-V43 HydrophobicContact CB-CG2 4.13Å; K32-V43 HydrophobicContact CD-CG1 3.86Å; K32-V43 HydrophobicContact CG-CG1 4.45Å; K32-Q46 PolarHBondContact O-NE2 3.4Å; K32-Q46 PolarHBondContact O-OE1 2.94Å; K32-L48 HydrophobicContact CD-CD1 4.4Å; K32-L48 HydrophobicContact CG-CD1 3.54Å; K32-L48 HydrophobicContact CG-CG 4.17Å; K32-L55 PolarHBondContact NZ-O 2.73Å; K32-L55 VanDerWaalsContact NZ-O 3.12Å; K32-N57 VanDerWaalsContact CD-OD1 3.27Å; K32-N57 WeakPolarHBondContact CD-OD1 3.28Å; K32-N57 WeakPolarHBondContact CE-OD1 3.49Å; K32-N57 PolarHBondContact NZ-OD1 2.87Å |
| 33 | E | 90.3 | Very high | 85.8 | Confident | 100 Ų | 100 | 54.2 Ų | 54.2 | 47% | 0.467 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.7 | -44.5 | 175 | -172.7 | 176.6 | -160.4 | 0 | 0 | 111.5 | C29 V30 I31 L35 S36 H37 | C29-E33 WeakPolarHBondContact O-CB 3.5Å; C29-E33 PolarHBondContact O-N 2.86Å; V30-E33 PolarHBondContact O-N 2.79Å; I31-E33 VanDerWaalsContact C-N 3.31Å; I31-E33 PolarHBondContact O-N 3.04Å; E33-L35 VanDerWaalsContact C-N 3.34Å; E33-L35 PolarHBondContact O-N 3.29Å; E33-S36 VanDerWaalsContact O-CB 3.3Å; E33-S36 WeakPolarHBondContact O-CB 3.32Å; E33-S36 PolarHBondContact O-N 3.26Å; E33-S36 VanDerWaalsContact O-N 3.17Å; E33-H37 PolarHBondContact O-N 2.64Å |
| 34 | K | 89.7 | Confident | 85.6 | Confident | 79 Ų | 79 | 58.4 Ų | 58.4 | 34% | 0.343 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.5 | -42.9 | 174 | -73.4 | 177.5 | -179 | -122.9 | 0 | 112 | L21 V22 V30 I31 S36 H37 Q38 | L21-K34 WeakPolarHBondContact O-CE 3.07Å; L21-K34 PolarHBondContact O-NZ 2.73Å; V22-K34 HydrophobicContact CG1-CD 3.82Å; V30-K34 HydrophobicContact CG1-CD 4.44Å; V30-K34 WeakPolarHBondContact O-CG 3.39Å; V30-K34 PolarHBondContact O-N 3.19Å; I31-K34 PolarHBondContact O-N 2.92Å; K34-S36 VanDerWaalsContact C-N 3.33Å; K34-H37 PolarHBondContact O-N 2.82Å; K34-Q38 WeakPolarHBondContact O-CG 3.39Å; K34-Q38 PolarHBondContact O-N 3.32Å; K34-Q38 VanDerWaalsContact O-N 3.11Å |
| 35 | L | 87.6 | Confident | 85.8 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.4 | -37.1 | 174.3 | -69.9 | 170.5 | 0 | 0 | 0 | 112 | V8 L18 V20 I31 K32 E33 H37 Q38 L39 Q46 L48 | V8-L35 HydrophobicContact CB-CD1 4.37Å; V8-L35 HydrophobicContact CB-CD2 3.88Å; V8-L35 HydrophobicContact CG1-CD1 3.81Å; V8-L35 HydrophobicContact CG1-CD2 3.91Å; V8-L35 HydrophobicContact CG2-CD1 4.08Å; V8-L35 HydrophobicContact CG2-CD2 4Å; V8-L35 HydrophobicContact CG2-CG 4.5Å; L18-L35 HydrophobicContact CD2-CD2 3.54Å; L18-L35 HydrophobicContact CG-CD2 4.31Å; V20-L35 HydrophobicContact CG1-CD2 3.83Å; V20-L35 HydrophobicContact CG1-CG 4.33Å; I31-L35 HydrophobicContact CG2-CD1 3.95Å; I31-L35 HydrophobicContact CG2-CG 4.4Å; I31-L35 WeakPolarHBondContact O-CB 3.23Å; I31-L35 VanDerWaalsContact O-CG 3.27Å; I31-L35 WeakPolarHBondContact O-CG 3.42Å; I31-L35 PolarHBondContact O-N 2.8Å; K32-L35 PolarHBondContact O-N 3.36Å; E33-L35 VanDerWaalsContact C-N 3.34Å; E33-L35 PolarHBondContact O-N 3.29Å; L35-H37 VanDerWaalsContact C-N 3.3Å; L35-H37 PolarHBondContact O-N 3.43Å; L35-Q38 PolarHBondContact O-N 2.69Å; L35-L39 HydrophobicContact CD2-CD1 4.5Å; L35-L39 WeakPolarHBondContact O-CB 3.26Å; L35-L39 PolarHBondContact O-N 3.06Å; L35-Q46 VanDerWaalsContact CB-OE1 3.26Å; L35-L48 HydrophobicContact CD1-CD1 4.27Å; L35-L48 HydrophobicContact CD1-CD2 3.73Å; L35-L48 HydrophobicContact CD1-CG 4.43Å |
| 36 | S | 85.4 | Confident | 86 | Confident | 24 Ų | 24 | 54.6 Ų | 54.6 | 17% | 0.168 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.7 | -43.7 | 175.3 | 173.7 | 0 | 0 | 0 | 0 | 110.8 | K32 E33 K34 F40 V41 | K32-S36 VanDerWaalsContact O-CB 3.23Å; K32-S36 WeakPolarHBondContact O-CB 3.31Å; K32-S36 PolarHBondContact O-N 2.97Å; E33-S36 VanDerWaalsContact O-CB 3.3Å; E33-S36 WeakPolarHBondContact O-CB 3.32Å; E33-S36 PolarHBondContact O-N 3.26Å; E33-S36 VanDerWaalsContact O-N 3.17Å; K34-S36 VanDerWaalsContact C-N 3.33Å; S36-F40 WeakPolarHBondContact O-CA 3.42Å; S36-F40 PolarHBondContact O-N 3.12Å; S36-V41 WeakPolarHBondContact CA-O 3.37Å; S36-V41 WeakPolarHBondContact CB-O 3.48Å; S36-V41 PolarHBondContact O-N 3.1Å; S36-V41 PolarHBondContact OG-O 2.88Å |
| 37 | H | 83.3 | Confident | 86 | Confident | 127 Ų | 127 | 54 Ų | 54 | 59% | 0.588 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -69.8 | -33.7 | 176.4 | -66.1 | 161.8 | 0 | 0 | 0 | 113.6 | E33 K34 L35 | E33-H37 PolarHBondContact O-N 2.64Å; K34-H37 PolarHBondContact O-N 2.82Å; L35-H37 VanDerWaalsContact C-N 3.3Å; L35-H37 PolarHBondContact O-N 3.43Å |
| 38 | Q | 81.4 | Confident | 86 | Confident | 91 Ų | 91 | 47.6 Ų | 47.6 | 43% | 0.425 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -82.2 | -40.1 | -177.7 | -70.2 | -174.5 | 15.8 | 0 | 0 | 113.4 | L18 K34 L35 | L18-Q38 HydrophobicContact CD2-CB 3.8Å; K34-Q38 WeakPolarHBondContact O-CG 3.39Å; K34-Q38 PolarHBondContact O-N 3.32Å; K34-Q38 VanDerWaalsContact O-N 3.11Å; L35-Q38 PolarHBondContact O-N 2.69Å |
| 39 | L | 80.8 | Confident | 86.1 | Confident | 50 Ų | 50 | 49.3 Ų | 49.3 | 26% | 0.262 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -93.9 | -10.9 | -179.4 | -61.9 | 174.3 | 0 | 0 | 0 | 112.7 | V10 L18 L35 V41 L74 | V10-L39 HydrophobicContact CG2-CD1 3.69Å; V10-L39 HydrophobicContact CG2-CD2 4.21Å; L18-L39 HydrophobicContact CD2-CD1 4.32Å; L18-L39 HydrophobicContact CD2-CD2 3.95Å; L18-L39 HydrophobicContact CD2-CG 3.9Å; L35-L39 HydrophobicContact CD2-CD1 4.5Å; L35-L39 WeakPolarHBondContact O-CB 3.26Å; L35-L39 PolarHBondContact O-N 3.06Å; L39-V41 VanDerWaalsContact C-N 3.34Å; L39-V41 HydrophobicContact CB-CB 4.49Å; L39-V41 HydrophobicContact CB-CG2 4.03Å; L39-L74 HydrophobicContact CD1-CD2 3.39Å |
| 40 | F | 77.4 | Confident | 86.1 | Confident | 122 Ų | 122 | 47.8 Ų | 47.8 | 54% | 0.535 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 53 | -169.8 | -56.4 | -85.9 | 0 | 0 | 0 | 110.3 | S36 R88 | S36-F40 WeakPolarHBondContact O-CA 3.42Å; S36-F40 PolarHBondContact O-N 3.12Å; F40-R88 PolarHBondContact O-NH1 3.19Å; F40-R88 PolarHBondContact O-NH2 3.06Å; F40-R88 VanDerWaalsContact O-NH2 3.15Å |
| 41 | V | 79.9 | Confident | 85.9 | Confident | 12 Ų | 12 | 52 Ų | 52 | 7% | 0.073 | 26% | 0.261 | C | S | . | . | trans | -126.5 | 134.6 | 176.5 | 177.2 | 0 | 0 | 0 | 0 | 108.2 | S36 L39 E45 Q46 L76 | S36-V41 WeakPolarHBondContact CA-O 3.37Å; S36-V41 WeakPolarHBondContact CB-O 3.48Å; S36-V41 PolarHBondContact O-N 3.1Å; S36-V41 PolarHBondContact OG-O 2.88Å; L39-V41 VanDerWaalsContact C-N 3.34Å; L39-V41 HydrophobicContact CB-CB 4.49Å; L39-V41 HydrophobicContact CB-CG2 4.03Å; V41-E45 HydrophobicContact CG1-CB 4.12Å; V41-Q46 HydrophobicContact CB-CG 4.23Å; V41-Q46 HydrophobicContact CG1-CG 3.78Å; V41-Q46 PolarHBondContact O-NE2 3.35Å; V41-L76 HydrophobicContact CB-CD2 4.48Å; V41-L76 HydrophobicContact CG1-CD2 3.84Å; V41-L76 HydrophobicContact CG2-CD2 4.2Å | ||
| 42 | P | 83.4 | Confident | 85.8 | Confident | 37 Ų | 37 | 55.5 Ų | 55.5 | 24% | 0.24 | 30% | 0.298 | C | S | . | . | trans | -63.7 | 145.8 | -178.4 | -12.3 | 31.2 | 0 | 0 | 0 | 110.7 | D44 E45 Q46 R88 | P42-D44 PolarHBondContact O-N 2.88Å; P42-D44 VanDerWaalsContact O-N 3.16Å; P42-E45 HydrophobicContact CB-CG 4.27Å; P42-E45 WeakPolarHBondContact CD-OE2 3.37Å; P42-E45 HydrophobicContact CG-CG 4.07Å; P42-E45 PolarHBondContact O-N 3.21Å; P42-Q46 WeakPolarHBondContact O-CG 3.27Å; P42-Q46 PolarHBondContact O-N 2.9Å; P42-R88 VanDerWaalsContact CG-NH2 3.26Å | ||
| 43 | V | 85.5 | Confident | 85.7 | Confident | 31 Ų | 31 | 61.2 Ų | 61.2 | 19% | 0.188 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -55.8 | -34.1 | 179.1 | 173.2 | 0 | 0 | 0 | 0 | 112 | K32 E45 Q46 | K32-V43 HydrophobicContact CB-CB 4.39Å; K32-V43 HydrophobicContact CB-CG1 3.72Å; K32-V43 HydrophobicContact CB-CG2 4.13Å; K32-V43 HydrophobicContact CD-CG1 3.86Å; K32-V43 HydrophobicContact CG-CG1 4.45Å; V43-E45 VanDerWaalsContact C-N 3.25Å; V43-E45 PolarHBondContact O-N 3.46Å; V43-Q46 PolarHBondContact O-N 3.47Å |
| 44 | D | 84.6 | Confident | 85.6 | Confident | 141 Ų | 141 | 59.9 Ų | 59.9 | 75% | 0.754 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -70.9 | -20 | -179.5 | -50.2 | -51.9 | 0 | 0 | 0 | 113.4 | P42 | P42-D44 PolarHBondContact O-N 2.88Å; P42-D44 VanDerWaalsContact O-N 3.16Å |
| 45 | E | 84.1 | Confident | 85.5 | Confident | 49 Ų | 49 | 56.3 Ų | 56.3 | 23% | 0.229 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -98.5 | -3.3 | 178.1 | -55.9 | -178.3 | 167.3 | 0 | 0 | 112.1 | V41 P42 V43 L77 K78 | V41-E45 HydrophobicContact CG1-CB 4.12Å; P42-E45 HydrophobicContact CB-CG 4.27Å; P42-E45 WeakPolarHBondContact CD-OE2 3.37Å; P42-E45 HydrophobicContact CG-CG 4.07Å; P42-E45 PolarHBondContact O-N 3.21Å; V43-E45 VanDerWaalsContact C-N 3.25Å; V43-E45 PolarHBondContact O-N 3.46Å; E45-L77 PolarHBondContact O-N 3Å; E45-K78 HydrophobicContact CG-CD 4.23Å; E45-K78 HydrophobicContact CG-CG 4.39Å; E45-K78 VanDerWaalsContact OE1-CD 3.26Å; E45-K78 WeakPolarHBondContact OE1-CD 3.41Å; E45-K78 VanDerWaalsContact OE1-CE 3.28Å; E45-K78 WeakPolarHBondContact OE1-CE 3.48Å; E45-K78 IonicContact OE1-NZ 2.72Å; E45-K78 PolarHBondContact OE1-NZ 3.49Å |
| 46 | Q | 86.3 | Confident | 85.5 | Confident | 3 Ų | 3 | 60.2 Ų | 60.2 | 1% | 0.014 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 117 | 178.6 | -69.9 | -179.4 | 47.4 | 0 | 0 | 111.4 | K32 L35 V41 P42 V43 L74 | K32-Q46 PolarHBondContact O-NE2 3.4Å; K32-Q46 PolarHBondContact O-OE1 2.94Å; L35-Q46 VanDerWaalsContact CB-OE1 3.26Å; V41-Q46 HydrophobicContact CB-CG 4.23Å; V41-Q46 HydrophobicContact CG1-CG 3.78Å; V41-Q46 PolarHBondContact O-NE2 3.35Å; P42-Q46 WeakPolarHBondContact O-CG 3.27Å; P42-Q46 PolarHBondContact O-N 2.9Å; V43-Q46 PolarHBondContact O-N 3.47Å; Q46-L74 HydrophobicContact CB-CD1 3.7Å; Q46-L74 HydrophobicContact CG-CD1 4.03Å; Q46-L74 HydrophobicContact CG-CD2 4.5Å |
| 47 | S | 89.5 | Confident | 85.4 | Confident | 21 Ų | 21 | 61.6 Ų | 61.6 | 15% | 0.147 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 105.2 | 171.8 | -168.2 | 0 | 0 | 0 | 0 | 110.4 | L75 | S47-L75 PolarHBondContact N-O 2.99Å; S47-L75 PolarHBondContact O-N 3.34Å |
| 48 | L | 89.9 | Confident | 85.3 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 134 | 175 | -71 | 173 | 0 | 0 | 0 | 109.7 | V8 I28 I31 K32 L35 T54 L55 V72 H73 L74 | V8-L48 HydrophobicContact CG1-CD2 3.94Å; I28-L48 HydrophobicContact CG2-CD1 4.07Å; I31-L48 HydrophobicContact CB-CD1 4.39Å; I31-L48 HydrophobicContact CG2-CD1 3.97Å; K32-L48 HydrophobicContact CD-CD1 4.4Å; K32-L48 HydrophobicContact CG-CD1 3.54Å; K32-L48 HydrophobicContact CG-CG 4.17Å; L35-L48 HydrophobicContact CD1-CD1 4.27Å; L35-L48 HydrophobicContact CD1-CD2 3.73Å; L35-L48 HydrophobicContact CD1-CG 4.43Å; L48-T54 CarbonylContact O-C 3.52Å; L48-T54 WeakPolarHBondContact O-CA 3.48Å; L48-L55 HydrophobicContact CB-CB 3.97Å; L48-L55 HydrophobicContact CB-CD1 4.05Å; L48-L55 HydrophobicContact CB-CG 4.32Å; L48-L55 PolarHBondContact O-N 3.02Å; L48-V72 HydrophobicContact CB-CG1 4.09Å; L48-V72 HydrophobicContact CD2-CG1 3.8Å; L48-V72 HydrophobicContact CG-CG1 4.46Å; L48-H73 CarbonylContact C-O 3.53Å; L48-H73 WeakPolarHBondContact CA-O 3.48Å; L48-L74 HydrophobicContact CD2-CB 3.98Å; L48-L74 HydrophobicContact CD2-CD1 3.77Å; L48-L74 HydrophobicContact CD2-CG 4.44Å; L48-L74 HydrophobicContact CG-CD1 4.2Å |
| 49 | I | 90.2 | Very high | 85.5 | Confident | 36 Ų | 36 | 61.1 Ų | 61.1 | 19% | 0.185 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 127.9 | -179.6 | -62.1 | -176.3 | 0 | 0 | 0 | 109.4 | K53 T54 V72 H73 L75 | I49-K53 WeakPolarHBondContact CA-O 2.91Å; I49-T54 HydrophobicContact CD1-CG2 4.32Å; I49-T54 HydrophobicContact CG1-CG2 3.98Å; I49-V72 WeakPolarHBondContact O-CG1 3.04Å; I49-H73 HydrophobicContact CB-CB 4.44Å; I49-H73 PolarHBondContact N-O 3.26Å; I49-H73 PolarHBondContact O-N 3.07Å; I49-L75 HydrophobicContact CD1-CD1 3.24Å; I49-L75 HydrophobicContact CD1-CG 3.94Å; I49-L75 HydrophobicContact CG1-CD1 4.38Å |
| 50 | F | 89.6 | Confident | 85.6 | Confident | 22 Ų | 22 | 60.7 Ų | 60.7 | 10% | 0.096 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 136.3 | 174.2 | -177.5 | -114.7 | 0 | 0 | 0 | 109.5 | G52 K53 L55 E64 L66 C70 V72 | F50-G52 PolarHBondContact O-N 3.3Å; F50-G52 VanDerWaalsContact O-N 3.07Å; F50-K53 PolarHBondContact N-O 2.9Å; F50-K53 PolarHBondContact O-N 3.37Å; F50-K53 VanDerWaalsContact O-O 3.07Å; F50-L55 HydrophobicContact CB-CD1 3.95Å; F50-L55 HydrophobicContact CB-CD2 4.09Å; F50-L55 HydrophobicContact CB-CG 4.16Å; F50-E64 WeakPolarHBondContact CE1-O 3.35Å; F50-L66 HydrophobicContact CB-CD2 4.24Å; F50-L66 HydrophobicContact CD1-CD2 3.5Å; F50-L66 HydrophobicContact CD1-CG 4.34Å; F50-L66 HydrophobicContact CD2-CD2 3.85Å; F50-L66 HydrophobicContact CE1-CD2 3.67Å; F50-L66 HydrophobicContact CE1-CG 4.46Å; F50-L66 HydrophobicContact CE2-CD2 4.01Å; F50-L66 HydrophobicContact CG-CD2 3.59Å; F50-L66 HydrophobicContact CZ-CD2 3.92Å; F50-C70 HydrophobicContact CE2-CB 4.33Å; F50-V72 HydrophobicContact CD2-CG2 4.2Å |
| 51 | N | 86.9 | Confident | 85.8 | Confident | 130 Ų | 130 | 54.9 Ų | 54.9 | 70% | 0.695 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 35.7 | -178.8 | -63.8 | 3.3 | 0 | 0 | 0 | 114.4 | K53 | N51-K53 PolarHBondContact O-N 2.88Š|
| 52 | G | 85.2 | Confident | 85.8 | Confident | 75 Ų | 75 | 58 Ų | 58 | 77% | 0.773 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | 6.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | F50 | F50-G52 PolarHBondContact O-N 3.3Å; F50-G52 VanDerWaalsContact O-N 3.07Å |
| 53 | K | 88.1 | Confident | 85.8 | Confident | 136 Ų | 136 | 59.4 Ų | 59.4 | 59% | 0.591 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 142.7 | 175.9 | -62.1 | -178.2 | -176.9 | 177.8 | 0 | 110.5 | I49 F50 N51 | I49-K53 WeakPolarHBondContact CA-O 2.91Å; F50-K53 PolarHBondContact N-O 2.9Å; F50-K53 PolarHBondContact O-N 3.37Å; F50-K53 VanDerWaalsContact O-O 3.07Å; N51-K53 PolarHBondContact O-N 2.88Å |
| 54 | T | 88.4 | Confident | 85.5 | Confident | 72 Ų | 72 | 59.3 Ų | 59.3 | 44% | 0.442 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 137.3 | 171.2 | 49.3 | 0 | 0 | 0 | 0 | 110.2 | L48 I49 | L48-T54 CarbonylContact O-C 3.52Å; L48-T54 WeakPolarHBondContact O-CA 3.48Å; I49-T54 HydrophobicContact CD1-CG2 4.32Å; I49-T54 HydrophobicContact CG1-CG2 3.98Å |
| 55 | L | 88.4 | Confident | 85.3 | Confident | 4 Ų | 4 | 58.1 Ų | 58.1 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | trans | -92.1 | 113.9 | -179.9 | -61.3 | -175.7 | 0 | 0 | 0 | 110.1 | I28 K32 L48 F50 E64 L66 V72 | I28-L55 HydrophobicContact CD1-CB 3.65Å; I28-L55 HydrophobicContact CD1-CD1 4.23Å; I28-L55 HydrophobicContact CD1-CD2 3.99Å; I28-L55 HydrophobicContact CD1-CG 4.18Å; I28-L55 HydrophobicContact CG1-CB 4.43Å; I28-L55 HydrophobicContact CG2-CB 3.88Å; K32-L55 PolarHBondContact NZ-O 2.73Å; K32-L55 VanDerWaalsContact NZ-O 3.12Å; L48-L55 HydrophobicContact CB-CB 3.97Å; L48-L55 HydrophobicContact CB-CD1 4.05Å; L48-L55 HydrophobicContact CB-CG 4.32Å; L48-L55 PolarHBondContact O-N 3.02Å; F50-L55 HydrophobicContact CB-CD1 3.95Å; F50-L55 HydrophobicContact CB-CD2 4.09Å; F50-L55 HydrophobicContact CB-CG 4.16Å; L55-E64 HydrophobicContact CD2-CB 3.82Å; L55-E64 VanDerWaalsContact CD2-CD 3.45Å; L55-E64 HydrophobicContact CD2-CG 3.51Å; L55-E64 WeakPolarHBondContact CD2-OE2 3.45Å; L55-L66 HydrophobicContact CD1-CD1 3.99Å; L55-V72 HydrophobicContact CD1-CG1 4.09Å | ||
| 56 | D | 87.6 | Confident | 85.3 | Confident | 82 Ų | 82 | 56.1 Ų | 56.1 | 44% | 0.439 | 32% | 0.317 | S | S | . | . | trans | -82.4 | 150.4 | 178.7 | -57.3 | -51.5 | 0 | 0 | 0 | 111.4 | I28 E58 K59 | I28-D56 WeakPolarHBondContact CB-O 3.35Å; D56-E58 PolarHBondContact O-N 2.87Å; D56-K59 HydrophobicContact CB-CD 4.35Å; D56-K59 HydrophobicContact CB-CG 4.2Å; D56-K59 PolarHBondContact O-N 2.99Å; D56-K59 VanDerWaalsContact O-N 3.16Å; D56-K59 VanDerWaalsContact OD2-CE 3.23Å; D56-K59 WeakPolarHBondContact OD2-CE 3.2Å; D56-K59 IonicContact OD2-NZ 2.73Å; D56-K59 PolarHBondContact OD2-NZ 2.88Å | ||
| 57 | N | 83.7 | Confident | 85.1 | Confident | 52 Ų | 52 | 63 Ų | 63 | 28% | 0.278 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -30.9 | -175.7 | -63.4 | -11.2 | 0 | 0 | 0 | 113.1 | C29 K32 K59 | C29-N57 HydrophobicContact CB-CB 4.21Å; K32-N57 VanDerWaalsContact CD-OD1 3.27Å; K32-N57 WeakPolarHBondContact CD-OD1 3.28Å; K32-N57 WeakPolarHBondContact CE-OD1 3.49Å; K32-N57 PolarHBondContact NZ-OD1 2.87Å; N57-K59 VanDerWaalsContact C-N 3.28Å; N57-K59 PolarHBondContact O-N 2.76Å |
| 58 | E | 81.1 | Confident | 85 | Confident | 149 Ų | 149 | 67 Ų | 67 | 70% | 0.696 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -5.9 | -177.4 | -62.4 | -53.6 | 131.9 | 0 | 0 | 113.9 | D56 | D56-E58 PolarHBondContact O-N 2.87Š|
| 59 | K | 84.4 | Confident | 84.8 | Confident | 59 Ų | 59 | 69 Ų | 69 | 26% | 0.257 | 39% | 0.387 | S | S | . | . | trans | -89.1 | 143.1 | -178.5 | -65.6 | -173.4 | -173.1 | 171 | 0 | 111.9 | I28 D56 N57 E64 | I28-K59 HydrophobicContact CD1-CB 3.57Å; I28-K59 WeakPolarHBondContact CG1-O 3.37Å; I28-K59 PolarHBondContact N-O 2.79Å; D56-K59 HydrophobicContact CB-CD 4.35Å; D56-K59 HydrophobicContact CB-CG 4.2Å; D56-K59 PolarHBondContact O-N 2.99Å; D56-K59 VanDerWaalsContact O-N 3.16Å; D56-K59 VanDerWaalsContact OD2-CE 3.23Å; D56-K59 WeakPolarHBondContact OD2-CE 3.2Å; D56-K59 IonicContact OD2-NZ 2.73Å; D56-K59 PolarHBondContact OD2-NZ 2.88Å; N57-K59 VanDerWaalsContact C-N 3.28Å; N57-K59 PolarHBondContact O-N 2.76Å; K59-E64 HydrophobicContact CB-CG 4.15Å; K59-E64 HydrophobicContact CD-CG 3.81Å; K59-E64 WeakPolarHBondContact CD-OE1 3.46Å; K59-E64 WeakPolarHBondContact CE-OE1 3.37Å; K59-E64 IonicContact NZ-OE1 3.88Å; K59-E64 PolarHBondContact NZ-OE1 3.18Å | ||
| 60 | S | 83.9 | Confident | 84.7 | Confident | 41 Ų | 41 | 68.3 Ų | 68.3 | 29% | 0.287 | 39% | 0.385 | S | S | . | . | B | Isolated β-bridge | trans | -86 | 151.1 | 175.2 | -59.6 | 0 | 0 | 0 | 0 | 110.8 | T62 S63 E64 | S60-T62 PolarHBondContact O-N 3.04Å; S60-S63 PolarHBondContact N-OG 3.28Å; S60-S63 PolarHBondContact O-N 3.25Å; S60-S63 PolarHBondContact O-OG 3.09Å; S60-E64 PolarHBondContact O-N 3.01Å |
| 61 | L | 80.5 | Confident | 84.7 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 40% | 0.401 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -43.5 | 175 | -75 | 157.9 | 0 | 0 | 0 | 112.8 | I4 I6 V22 N23 D26 I31 S63 E64 N65 L66 | I4-L61 HydrophobicContact CD1-CB 4.38Å; I4-L61 HydrophobicContact CD1-CD1 3.84Å; I4-L61 HydrophobicContact CD1-CD2 4.03Å; I4-L61 HydrophobicContact CD1-CG 4.3Å; I6-L61 HydrophobicContact CD1-CD2 3.44Å; I6-L61 VanDerWaalsContact CD1-CD2 3.44Å; V22-L61 HydrophobicContact CB-CD1 4.34Å; V22-L61 HydrophobicContact CG2-CD1 3.71Å; V22-L61 HydrophobicContact CG2-CD2 4.34Å; N23-L61 WeakPolarHBondContact O-CD1 3.42Å; D26-L61 HydrophobicContact CB-CD1 3.96Å; D26-L61 WeakPolarHBondContact O-CD1 3.4Å; D26-L61 WeakPolarHBondContact O-CG 3.43Å; D26-L61 PolarHBondContact O-N 3.34Å; I31-L61 HydrophobicContact CD1-CD2 3.4Å; I31-L61 VanDerWaalsContact CD1-CD2 3.4Å; I31-L61 HydrophobicContact CD1-CG 4.27Å; I31-L61 HydrophobicContact CG1-CD2 4.42Å; L61-S63 VanDerWaalsContact C-N 3.34Å; L61-S63 PolarHBondContact O-N 3.1Å; L61-E64 PolarHBondContact O-N 2.96Å; L61-N65 PolarHBondContact O-N 3.34Å; L61-L66 HydrophobicContact CD2-CB 3.85Å; L61-L66 HydrophobicContact CD2-CD1 3.51Å; L61-L66 HydrophobicContact CD2-CG 4.32Å; L61-L66 PolarHBondContact O-N 3Å |
| 62 | T | 80.8 | Confident | 84.9 | Confident | 77 Ų | 77 | 65 Ų | 65 | 47% | 0.472 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -37.1 | 175.3 | 47.8 | 0 | 0 | 0 | 0 | 113.5 | D24 S60 N65 | D24-T62 WeakPolarHBondContact OD1-CG2 2.95Å; D24-T62 WeakPolarHBondContact OD2-CG2 3.13Å; S60-T62 PolarHBondContact O-N 3.04Å; T62-N65 PolarHBondContact O-N 3.39Å |
| 63 | S | 82.2 | Confident | 85.1 | Confident | 67 Ų | 67 | 64.8 Ų | 64.8 | 47% | 0.469 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -27.9 | -179 | 67.3 | 0 | 0 | 0 | 0 | 113.7 | S60 L61 N65 | S60-S63 PolarHBondContact N-OG 3.28Å; S60-S63 PolarHBondContact O-N 3.25Å; S60-S63 PolarHBondContact O-OG 3.09Å; L61-S63 VanDerWaalsContact C-N 3.34Å; L61-S63 PolarHBondContact O-N 3.1Å; S63-N65 VanDerWaalsContact C-N 3.33Å |
| 64 | E | 80.7 | Confident | 85.2 | Confident | 29 Ų | 29 | 58.3 Ų | 58.3 | 14% | 0.136 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | 8.7 | 176.5 | -71.8 | -73.2 | 148.5 | 0 | 0 | 111.9 | I28 F50 L55 K59 S60 L61 L66 | I28-E64 HydrophobicContact CD1-CB 4.47Å; I28-E64 HydrophobicContact CD1-CG 3.89Å; F50-E64 WeakPolarHBondContact CE1-O 3.35Å; L55-E64 HydrophobicContact CD2-CB 3.82Å; L55-E64 VanDerWaalsContact CD2-CD 3.45Å; L55-E64 HydrophobicContact CD2-CG 3.51Å; L55-E64 WeakPolarHBondContact CD2-OE2 3.45Å; K59-E64 HydrophobicContact CB-CG 4.15Å; K59-E64 HydrophobicContact CD-CG 3.81Å; K59-E64 WeakPolarHBondContact CD-OE1 3.46Å; K59-E64 WeakPolarHBondContact CE-OE1 3.37Å; K59-E64 IonicContact NZ-OE1 3.88Å; K59-E64 PolarHBondContact NZ-OE1 3.18Å; S60-E64 PolarHBondContact O-N 3.01Å; L61-E64 PolarHBondContact O-N 2.96Å; E64-L66 HydrophobicContact CB-CD1 4.3Å; E64-L66 HydrophobicContact CB-CG 4.18Å; E64-L66 PolarHBondContact O-N 3.36Å |
| 65 | N | 80.4 | Confident | 85.2 | Confident | 117 Ų | 117 | 58 Ų | 58 | 63% | 0.626 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 34.4 | -179.1 | -69.2 | 56 | 0 | 0 | 0 | 113 | L61 T62 S63 K67 | L61-N65 PolarHBondContact O-N 3.34Å; T62-N65 PolarHBondContact O-N 3.39Å; S63-N65 VanDerWaalsContact C-N 3.33Å; N65-K67 PolarHBondContact O-N 3.24Å |
| 66 | L | 82.9 | Confident | 85 | Confident | 6 Ų | 6 | 59.7 Ų | 59.7 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | P | Polyproline II helix | trans | -73.1 | 117.3 | 175.6 | -68.8 | 171.1 | 0 | 0 | 0 | 108.9 | F50 L55 L61 E64 C70 V72 | F50-L66 HydrophobicContact CB-CD2 4.24Å; F50-L66 HydrophobicContact CD1-CD2 3.5Å; F50-L66 HydrophobicContact CD1-CG 4.34Å; F50-L66 HydrophobicContact CD2-CD2 3.85Å; F50-L66 HydrophobicContact CE1-CD2 3.67Å; F50-L66 HydrophobicContact CE1-CG 4.46Å; F50-L66 HydrophobicContact CE2-CD2 4.01Å; F50-L66 HydrophobicContact CG-CD2 3.59Å; F50-L66 HydrophobicContact CZ-CD2 3.92Å; L55-L66 HydrophobicContact CD1-CD1 3.99Å; L61-L66 HydrophobicContact CD2-CB 3.85Å; L61-L66 HydrophobicContact CD2-CD1 3.51Å; L61-L66 HydrophobicContact CD2-CG 4.32Å; L61-L66 PolarHBondContact O-N 3Å; E64-L66 HydrophobicContact CB-CD1 4.3Å; E64-L66 HydrophobicContact CB-CG 4.18Å; E64-L66 PolarHBondContact O-N 3.36Å; L66-C70 HydrophobicContact CD2-CB 4.41Å; L66-V72 HydrophobicContact CD2-CG2 3.81Å |
| 67 | K | 83.5 | Confident | 84.6 | Confident | 148 Ų | 148 | 61.3 Ų | 61.3 | 64% | 0.643 | 33% | 0.331 | S | S | * | . | P | Polyproline II helix | trans | -99.3 | 164.9 | 179.4 | -58.5 | -175.2 | -179.2 | 178.8 | 0 | 110.9 | N65 G69 C70 | N65-K67 PolarHBondContact O-N 3.24Å; K67-G69 PolarHBondContact O-N 3.16Å; K67-C70 PolarHBondContact N-SG 3.4Å; K67-C70 VanDerWaalsContact O-CB 3.25Å; K67-C70 WeakPolarHBondContact O-CB 3.32Å; K67-C70 PolarHBondContact O-N 3.2Å; K67-C70 VanDerWaalsContact O-N 3.11Å; K67-C70 PolarHBondContact O-SG 3.49Å; K67-C70 VanDerWaalsContact O-SG 3.39Å |
| 68 | D | 86.4 | Confident | 83.9 | Confident | 105 Ų | 105 | 65 Ų | 65 | 56% | 0.561 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 130.3 | 167.1 | -172.2 | 39.5 | 0 | 0 | 0 | 110.8 | I4 V5 | I4-D68 HydrophobicContact CB-CB 4.26Å; I4-D68 HydrophobicContact CG2-CB 4.26Å; V5-D68 WeakPolarHBondContact CB-OD1 3.25Å; V5-D68 PolarHBondContact N-OD1 2.77Å |
| 69 | G | 85.8 | Confident | 82.6 | Confident | 42 Ų | 42 | 63.5 Ų | 63.5 | 43% | 0.433 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | 9.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | V5 K67 | V5-G69 WeakPolarHBondContact O-CA 3.15Å; V5-G69 PolarHBondContact O-N 3.45Å; K67-G69 PolarHBondContact O-N 3.16Å |
| 70 | C | 88 | Confident | 81.1 | Confident | 22 Ų | 22 | 66 Ų | 66 | 15% | 0.149 | 36% | 0.358 | C | S | . | . | trans | -66.1 | 143.4 | 178.8 | -85.8 | 0 | 0 | 0 | 0 | 112.9 | H7 F50 L66 K67 | H7-C70 PolarHBondContact N-O 3.1Å; F50-C70 HydrophobicContact CE2-CB 4.33Å; L66-C70 HydrophobicContact CD2-CB 4.41Å; K67-C70 PolarHBondContact N-SG 3.4Å; K67-C70 VanDerWaalsContact O-CB 3.25Å; K67-C70 WeakPolarHBondContact O-CB 3.32Å; K67-C70 PolarHBondContact O-N 3.2Å; K67-C70 VanDerWaalsContact O-N 3.11Å; K67-C70 PolarHBondContact O-SG 3.49Å; K67-C70 VanDerWaalsContact O-SG 3.39Å | ||
| 71 | L | 89.8 | Confident | 79.6 | Confident | 79 Ų | 79 | 70.2 Ų | 70.2 | 41% | 0.414 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 118.4 | 172.3 | -171.1 | 73.4 | 0 | 0 | 0 | 110.2 | H7 K9 P17 | H7-L71 HydrophobicContact CB-CD1 3.8Å; H7-L71 CarbonylContact O-C 3.6Å; H7-L71 VanDerWaalsContact O-CA 3.31Å; H7-L71 WeakPolarHBondContact O-CA 3.27Å; K9-L71 HydrophobicContact CB-CD1 4.15Å; P17-L71 HydrophobicContact CB-CD1 4.02Å |
| 72 | V | 90.7 | Very high | 78.3 | Confident | 3 Ų | 3 | 77 Ų | 77 | 2% | 0.018 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 143.2 | 175.7 | -178 | 0 | 0 | 0 | 0 | 108.7 | I6 H7 V8 K9 L48 I49 F50 L55 L66 | I6-V72 HydrophobicContact CG2-CB 4.47Å; I6-V72 HydrophobicContact CG2-CG2 3.78Å; H7-V72 PolarHBondContact O-N 3.18Å; V8-V72 CarbonylContact C-O 3.6Å; V8-V72 WeakPolarHBondContact CA-O 3.49Å; K9-V72 PolarHBondContact N-O 3.39Å; L48-V72 HydrophobicContact CB-CG1 4.09Å; L48-V72 HydrophobicContact CD2-CG1 3.8Å; L48-V72 HydrophobicContact CG-CG1 4.46Å; I49-V72 WeakPolarHBondContact O-CG1 3.04Å; F50-V72 HydrophobicContact CD2-CG2 4.2Å; L55-V72 HydrophobicContact CD1-CG1 4.09Å; L66-V72 HydrophobicContact CD2-CG2 3.81Å |
| 73 | H | 90.7 | Very high | 77.3 | Confident | 70 Ų | 70 | 77.3 Ų | 77.3 | 32% | 0.324 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 128.8 | 174.5 | -64.6 | -63.4 | 0 | 0 | 0 | 110 | K9 L11 L48 I49 | K9-H73 CarbonylContact O-C 3.58Å; K9-H73 WeakPolarHBondContact O-CA 3.38Å; L11-H73 HydrophobicContact CD1-CB 3.94Å; L11-H73 HydrophobicContact CG-CB 4.21Å; L48-H73 CarbonylContact C-O 3.53Å; L48-H73 WeakPolarHBondContact CA-O 3.48Å; I49-H73 HydrophobicContact CB-CB 4.44Å; I49-H73 PolarHBondContact N-O 3.26Å; I49-H73 PolarHBondContact O-N 3.07Å |
| 74 | L | 89.6 | Confident | 76.7 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 121 | 171.6 | 175.8 | 65.8 | 0 | 0 | 0 | 109.2 | V8 K9 V10 L11 L39 Q46 L48 L76 | V8-L74 HydrophobicContact CG1-CB 3.66Å; K9-L74 PolarHBondContact O-N 3.21Å; V10-L74 HydrophobicContact CG1-CD2 4.35Å; V10-L74 HydrophobicContact CG2-CB 4.47Å; V10-L74 HydrophobicContact CG2-CD2 4.03Å; L11-L74 PolarHBondContact N-O 2.92Å; L39-L74 HydrophobicContact CD1-CD2 3.39Å; Q46-L74 HydrophobicContact CB-CD1 3.7Å; Q46-L74 HydrophobicContact CG-CD1 4.03Å; Q46-L74 HydrophobicContact CG-CD2 4.5Å; L48-L74 HydrophobicContact CD2-CB 3.98Å; L48-L74 HydrophobicContact CD2-CD1 3.77Å; L48-L74 HydrophobicContact CD2-CG 4.44Å; L48-L74 HydrophobicContact CG-CD1 4.2Å; L74-L76 HydrophobicContact CD2-CD2 4.35Å; L74-L76 HydrophobicContact CG-CD2 4.47Å |
| 75 | L | 88 | Confident | 76.2 | Confident | 65 Ų | 65 | 78.5 Ų | 78.5 | 34% | 0.34 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 136.2 | 166.6 | -74 | 179.1 | 0 | 0 | 0 | 110 | L11 S47 I49 | L11-L75 HydrophobicContact CB-CD2 3.81Å; L11-L75 HydrophobicContact CD1-CD2 3.48Å; L11-L75 VanDerWaalsContact CD1-CD2 3.48Å; L11-L75 HydrophobicContact CD1-CG 4.02Å; L11-L75 HydrophobicContact CG-CD2 4.22Å; S47-L75 PolarHBondContact N-O 2.99Å; S47-L75 PolarHBondContact O-N 3.34Å; I49-L75 HydrophobicContact CD1-CD1 3.24Å; I49-L75 HydrophobicContact CD1-CG 3.94Å; I49-L75 HydrophobicContact CG1-CD1 4.38Å |
| 76 | L | 83.9 | Confident | 75.8 | Confident | 40 Ų | 40 | 75.7 Ų | 75.7 | 21% | 0.209 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 115.9 | 170 | -59.4 | 179.4 | 0 | 0 | 0 | 108.2 | V10 V13 V41 L74 | V10-L76 HydrophobicContact CG1-CD1 4.24Å; V10-L76 HydrophobicContact CG1-CG 4.3Å; V13-L76 HydrophobicContact CG2-CD1 4.18Å; V41-L76 HydrophobicContact CB-CD2 4.48Å; V41-L76 HydrophobicContact CG1-CD2 3.84Å; V41-L76 HydrophobicContact CG2-CD2 4.2Å; L74-L76 HydrophobicContact CD2-CD2 4.35Å; L74-L76 HydrophobicContact CG-CD2 4.47Å |
| 77 | L | 80.7 | Confident | 75.3 | Confident | 116 Ų | 116 | 78.5 Ų | 78.5 | 61% | 0.607 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -72.9 | -32.4 | -175.4 | -73.3 | 164.8 | 0 | 0 | 0 | 112.6 | E45 | E45-L77 PolarHBondContact O-N 3Š|
| 78 | K | 68.1 | Low | 74.9 | Confident | 131 Ų | 131 | 75.1 Ų | 75.1 | 57% | 0.57 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -96.5 | 113.6 | 175.5 | -66.3 | -167.3 | -166.7 | 158.2 | 0 | 109.8 | E45 H80 | E45-K78 HydrophobicContact CG-CD 4.23Å; E45-K78 HydrophobicContact CG-CG 4.39Å; E45-K78 VanDerWaalsContact OE1-CD 3.26Å; E45-K78 WeakPolarHBondContact OE1-CD 3.41Å; E45-K78 VanDerWaalsContact OE1-CE 3.28Å; E45-K78 WeakPolarHBondContact OE1-CE 3.48Å; E45-K78 IonicContact OE1-NZ 2.72Å; E45-K78 PolarHBondContact OE1-NZ 3.49Å; K78-H80 PolarHBondContact O-N 3.07Å |
| 79 | T | 54.2 | Low | 74.4 | Confident | 116 Ų | 116 | 71.1 Ų | 71.1 | 71% | 0.712 | 38% | 0.377 | S | S | * | . | trans | -54.8 | 125.1 | 163.4 | 50.7 | 0 | 0 | 0 | 0 | 108.3 | T81 | T79-T81 PolarHBondContact O-N 3.02Š| ||
| 80 | H | 53.4 | Low | 74.1 | Confident | 113 Ų | 113 | 72.6 Ų | 72.6 | 52% | 0.523 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -57.8 | 59.5 | -178.6 | -75.3 | -113.8 | 0 | 0 | 0 | 114.3 | K78 | K78-H80 PolarHBondContact O-N 3.07Š|
| 81 | T | 51.6 | Low | 73.7 | Confident | 129 Ų | 129 | 78.6 Ų | 78.6 | 79% | 0.791 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -73.2 | -26.3 | 168 | 48 | 0 | 0 | 0 | 0 | 110.9 | T79 | T79-T81 PolarHBondContact O-N 3.02Š|
| 82 | H | 53.3 | Low | 73.2 | Confident | 142 Ų | 142 | 81 Ų | 81 | 66% | 0.657 | 40% | 0.403 | S | S | * | . | trans | -151.9 | 75.9 | 174 | -152.3 | -96.1 | 0 | 0 | 0 | 108.6 | D84 | H82-D84 VanDerWaalsContact C-N 3.27Å; H82-D84 PolarHBondContact O-N 3.44Å | ||
| 83 | F | 60.5 | Low | 72.6 | Confident | 84 Ų | 84 | 82.2 Ų | 82.2 | 37% | 0.368 | 41% | 0.41 | S | S | . | . | trans | -59.5 | 106 | 158.5 | 173.9 | -103.1 | 0 | 0 | 0 | 105 | F85 | F83-F85 HydrophobicContact CD1-CB 3.6Å; F83-F85 HydrophobicContact CE1-CB 3.61Å; F83-F85 AromaticContact CE1-CD2 3.78Å; F83-F85 HydrophobicContact CE1-CD2 3.78Å; F83-F85 HydrophobicContact CE1-CG 4.13Å; F83-F85 PolarHBondContact O-N 2.85Å | ||
| 84 | D | 68.6 | Low | 72 | Confident | 59 Ų | 59 | 81.2 Ų | 81.2 | 32% | 0.316 | 41% | 0.41 | S | S | . | . | trans | -77.7 | 63.2 | -173.5 | -165.2 | -4.5 | 0 | 0 | 0 | 109.6 | H82 T86 S87 R88 | H82-D84 VanDerWaalsContact C-N 3.27Å; H82-D84 PolarHBondContact O-N 3.44Å; D84-T86 PolarHBondContact O-N 2.77Å; D84-S87 PolarHBondContact O-N 3.36Å; D84-S87 VanDerWaalsContact OD1-CB 3.22Å; D84-S87 WeakPolarHBondContact OD1-CB 3.46Å; D84-S87 PolarHBondContact OD1-N 2.99Å; D84-S87 PolarHBondContact OD1-OG 2.89Å; D84-S87 WeakPolarHBondContact OD2-CB 3.36Å; D84-S87 PolarHBondContact OD2-OG 2.87Å; D84-R88 WeakPolarHBondContact O-CB 3.37Å; D84-R88 WeakPolarHBondContact O-CG 3.48Å; D84-R88 PolarHBondContact O-N 2.8Å; D84-R88 VanDerWaalsContact O-N 3.11Å | ||
| 85 | F | 70.9 | Confident | 71.4 | Confident | 61 Ų | 61 | 87.6 Ų | 87.6 | 27% | 0.268 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -55 | -43.8 | 174.5 | 178 | -113.2 | 0 | 0 | 0 | 109.2 | F83 R88 L89 I114 I118 | F83-F85 HydrophobicContact CD1-CB 3.6Å; F83-F85 HydrophobicContact CE1-CB 3.61Å; F83-F85 AromaticContact CE1-CD2 3.78Å; F83-F85 HydrophobicContact CE1-CD2 3.78Å; F83-F85 HydrophobicContact CE1-CG 4.13Å; F83-F85 PolarHBondContact O-N 2.85Å; F85-R88 PolarHBondContact O-N 3.23Å; F85-L89 HydrophobicContact CD1-CD2 4.42Å; F85-L89 HydrophobicContact CE1-CB 4.45Å; F85-L89 HydrophobicContact CE1-CD2 3.59Å; F85-L89 HydrophobicContact CE2-CB 4.49Å; F85-L89 HydrophobicContact CZ-CB 4.37Å; F85-L89 HydrophobicContact CZ-CD2 3.68Å; F85-L89 HydrophobicContact CZ-CG 4.41Å; F85-L89 WeakPolarHBondContact O-CB 3.4Å; F85-L89 PolarHBondContact O-N 3.15Å; F85-I114 HydrophobicContact CE1-CG2 3.71Å; F85-I114 HydrophobicContact CZ-CG2 3.69Å; F85-I118 HydrophobicContact CD1-CD1 4.22Å; F85-I118 HydrophobicContact CE1-CD1 3.51Å; F85-I118 HydrophobicContact CE2-CD1 4.41Å; F85-I118 HydrophobicContact CZ-CD1 3.6Å |
| 86 | T | 71.8 | Confident | 70.8 | Confident | 59 Ų | 59 | 88 Ų | 88 | 36% | 0.362 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -56.2 | -55.7 | 179.9 | -48.1 | 0 | 0 | 0 | 0 | 111.5 | D84 R88 L89 H90 V111 | D84-T86 PolarHBondContact O-N 2.77Å; T86-R88 VanDerWaalsContact C-N 3.32Å; T86-R88 PolarHBondContact O-N 3.42Å; T86-L89 PolarHBondContact O-N 3.11Å; T86-H90 VanDerWaalsContact O-CB 3.24Å; T86-H90 WeakPolarHBondContact O-CB 3.49Å; T86-H90 PolarHBondContact O-N 2.89Å; T86-V111 HydrophobicContact CG2-CG1 3.41Å; T86-V111 VanDerWaalsContact CG2-CG1 3.41Å |
| 87 | S | 72.7 | Confident | 70.5 | Confident | 65 Ų | 65 | 89 Ų | 89 | 46% | 0.455 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65.2 | -35.2 | 179.6 | -64 | 0 | 0 | 0 | 0 | 112.7 | D84 K91 | D84-S87 PolarHBondContact O-N 3.36Å; D84-S87 VanDerWaalsContact OD1-CB 3.22Å; D84-S87 WeakPolarHBondContact OD1-CB 3.46Å; D84-S87 PolarHBondContact OD1-N 2.99Å; D84-S87 PolarHBondContact OD1-OG 2.89Å; D84-S87 WeakPolarHBondContact OD2-CB 3.36Å; D84-S87 PolarHBondContact OD2-OG 2.87Å; S87-K91 WeakPolarHBondContact O-CB 3.3Å; S87-K91 PolarHBondContact O-N 2.71Å |
| 88 | R | 73.8 | Confident | 70.1 | Confident | 77 Ų | 77 | 87.5 Ų | 87.5 | 29% | 0.291 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -70.8 | -44.5 | 177.8 | -77.9 | -174.3 | 169.8 | 146.4 | -8.3 | 113.1 | F40 P42 D84 F85 T86 H90 K91 F92 | F40-R88 PolarHBondContact O-NH1 3.19Å; F40-R88 PolarHBondContact O-NH2 3.06Å; F40-R88 VanDerWaalsContact O-NH2 3.15Å; P42-R88 VanDerWaalsContact CG-NH2 3.26Å; D84-R88 WeakPolarHBondContact O-CB 3.37Å; D84-R88 WeakPolarHBondContact O-CG 3.48Å; D84-R88 PolarHBondContact O-N 2.8Å; D84-R88 VanDerWaalsContact O-N 3.11Å; F85-R88 PolarHBondContact O-N 3.23Å; T86-R88 VanDerWaalsContact C-N 3.32Å; T86-R88 PolarHBondContact O-N 3.42Å; R88-H90 VanDerWaalsContact C-N 3.29Å; R88-K91 PolarHBondContact O-N 2.59Å; R88-F92 VanDerWaalsContact O-CB 3.29Å; R88-F92 WeakPolarHBondContact O-CB 3.47Å; R88-F92 PolarHBondContact O-N 2.77Å |
| 89 | L | 77.2 | Confident | 70.2 | Confident | 21 Ų | 21 | 89.2 Ų | 89.2 | 11% | 0.11 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -63.6 | -42.7 | 176.6 | -178.7 | 61.7 | 0 | 0 | 0 | 109.3 | F85 T86 K91 F92 L93 V111 I114 | F85-L89 HydrophobicContact CD1-CD2 4.42Å; F85-L89 HydrophobicContact CE1-CB 4.45Å; F85-L89 HydrophobicContact CE1-CD2 3.59Å; F85-L89 HydrophobicContact CE2-CB 4.49Å; F85-L89 HydrophobicContact CZ-CB 4.37Å; F85-L89 HydrophobicContact CZ-CD2 3.68Å; F85-L89 HydrophobicContact CZ-CG 4.41Å; F85-L89 WeakPolarHBondContact O-CB 3.4Å; F85-L89 PolarHBondContact O-N 3.15Å; T86-L89 PolarHBondContact O-N 3.11Å; L89-K91 PolarHBondContact O-N 3.42Å; L89-F92 PolarHBondContact O-N 3.45Å; L89-L93 HydrophobicContact CD1-CD1 4.24Å; L89-L93 HydrophobicContact CD1-CG 4.2Å; L89-L93 HydrophobicContact CG-CD1 4.16Å; L89-L93 HydrophobicContact CG-CG 4.48Å; L89-L93 WeakPolarHBondContact O-CB 3.17Å; L89-L93 VanDerWaalsContact O-CG 3.29Å; L89-L93 WeakPolarHBondContact O-CG 3.28Å; L89-L93 PolarHBondContact O-N 3.44Å; L89-V111 HydrophobicContact CB-CG2 4.2Å; L89-V111 HydrophobicContact CD2-CB 4.31Å; L89-V111 HydrophobicContact CD2-CG1 4.43Å; L89-V111 HydrophobicContact CD2-CG2 4.09Å; L89-V111 HydrophobicContact CG-CG2 3.86Å; L89-I114 HydrophobicContact CD1-CD1 4.29Å; L89-I114 HydrophobicContact CD2-CB 3.8Å; L89-I114 HydrophobicContact CD2-CD1 3.79Å; L89-I114 HydrophobicContact CD2-CG1 4.37Å; L89-I114 HydrophobicContact CD2-CG2 3.93Å |
| 90 | H | 79.1 | Confident | 71.1 | Confident | 73 Ų | 73 | 88.6 Ų | 88.6 | 34% | 0.338 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -58.5 | -50 | 173.6 | -173.7 | -79.3 | 0 | 0 | 0 | 111.3 | T86 R88 F92 L93 S94 V111 | T86-H90 VanDerWaalsContact O-CB 3.24Å; T86-H90 WeakPolarHBondContact O-CB 3.49Å; T86-H90 PolarHBondContact O-N 2.89Å; R88-H90 VanDerWaalsContact C-N 3.29Å; H90-F92 VanDerWaalsContact C-N 3.34Å; H90-F92 PolarHBondContact O-N 2.98Å; H90-L93 PolarHBondContact O-N 3.36Å; H90-S94 VanDerWaalsContact O-CB 3.31Å; H90-S94 WeakPolarHBondContact O-CB 3.2Å; H90-S94 PolarHBondContact O-N 3.1Å; H90-S94 PolarHBondContact O-OG 2.84Å; H90-V111 HydrophobicContact CB-CG2 3.87Å |
| 91 | K | 80.1 | Confident | 72 | Confident | 147 Ų | 147 | 92.5 Ų | 92.5 | 64% | 0.639 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62 | -40.7 | 177.6 | -173.8 | 173.9 | -178.2 | 177.1 | 0 | 112.3 | S87 R88 L89 S94 N95 | S87-K91 WeakPolarHBondContact O-CB 3.3Å; S87-K91 PolarHBondContact O-N 2.71Å; R88-K91 PolarHBondContact O-N 2.59Å; L89-K91 PolarHBondContact O-N 3.42Å; K91-S94 WeakPolarHBondContact CA-OG 3.04Å; K91-S94 PolarHBondContact O-OG 3.15Å; K91-N95 VanDerWaalsContact O-CB 3.24Å; K91-N95 WeakPolarHBondContact O-CB 3.23Å; K91-N95 PolarHBondContact O-N 3.37Å |
| 92 | F | 78.9 | Confident | 73.1 | Confident | 129 Ų | 129 | 94.5 Ų | 94.5 | 57% | 0.566 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.2 | -48.7 | 178.2 | 174 | -97.8 | 0 | 0 | 0 | 111.2 | R88 L89 H90 N95 S96 | R88-F92 VanDerWaalsContact O-CB 3.29Å; R88-F92 WeakPolarHBondContact O-CB 3.47Å; R88-F92 PolarHBondContact O-N 2.77Å; L89-F92 PolarHBondContact O-N 3.45Å; H90-F92 VanDerWaalsContact C-N 3.34Å; H90-F92 PolarHBondContact O-N 2.98Å; F92-N95 PolarHBondContact O-N 3.26Å; F92-S96 WeakPolarHBondContact O-CB 3.26Å; F92-S96 PolarHBondContact O-N 3.17Å; F92-S96 VanDerWaalsContact O-N 3.08Å; F92-S96 PolarHBondContact O-OG 3.27Å |
| 93 | L | 77.2 | Confident | 73.9 | Confident | 30 Ų | 30 | 88.4 Ų | 88.4 | 16% | 0.157 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -65.4 | -45 | 178 | -69.5 | 179.5 | 0 | 0 | 0 | 110.9 | L89 H90 N95 S96 L97 T107 C110 V111 | L89-L93 HydrophobicContact CD1-CD1 4.24Å; L89-L93 HydrophobicContact CD1-CG 4.2Å; L89-L93 HydrophobicContact CG-CD1 4.16Å; L89-L93 HydrophobicContact CG-CG 4.48Å; L89-L93 WeakPolarHBondContact O-CB 3.17Å; L89-L93 VanDerWaalsContact O-CG 3.29Å; L89-L93 WeakPolarHBondContact O-CG 3.28Å; L89-L93 PolarHBondContact O-N 3.44Å; H90-L93 PolarHBondContact O-N 3.36Å; L93-N95 VanDerWaalsContact C-N 3.25Å; L93-N95 PolarHBondContact O-N 3.02Å; L93-S96 PolarHBondContact O-N 2.74Å; L93-L97 WeakPolarHBondContact O-CB 3.48Å; L93-L97 PolarHBondContact O-N 2.99Å; L93-T107 HydrophobicContact CB-CG2 3.5Å; L93-T107 VanDerWaalsContact CB-CG2 3.5Å; L93-T107 HydrophobicContact CD1-CG2 4.2Å; L93-C110 HydrophobicContact CD1-CB 3.63Å; L93-V111 HydrophobicContact CD1-CG2 4.03Å |
| 94 | S | 78.7 | Confident | 74.4 | Confident | 48 Ų | 48 | 90.5 Ų | 90.5 | 34% | 0.336 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.8 | -32.1 | 178.2 | 71 | 0 | 0 | 0 | 0 | 112.7 | H90 K91 S96 | H90-S94 VanDerWaalsContact O-CB 3.31Å; H90-S94 WeakPolarHBondContact O-CB 3.2Å; H90-S94 PolarHBondContact O-N 3.1Å; H90-S94 PolarHBondContact O-OG 2.84Å; K91-S94 WeakPolarHBondContact CA-OG 3.04Å; K91-S94 PolarHBondContact O-OG 3.15Å; S94-S96 VanDerWaalsContact C-N 3.35Å |
| 95 | N | 77.1 | Confident | 74.8 | Confident | 134 Ų | 134 | 93.1 Ų | 93.1 | 72% | 0.717 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -81.1 | -16.1 | 176.8 | -146.4 | 111.5 | 0 | 0 | 0 | 113.1 | K91 F92 L93 | K91-N95 VanDerWaalsContact O-CB 3.24Å; K91-N95 WeakPolarHBondContact O-CB 3.23Å; K91-N95 PolarHBondContact O-N 3.37Å; F92-N95 PolarHBondContact O-N 3.26Å; L93-N95 VanDerWaalsContact C-N 3.25Å; L93-N95 PolarHBondContact O-N 3.02Å |
| 96 | S | 75.9 | Confident | 75.1 | Confident | 75 Ų | 75 | 94.4 Ų | 94.4 | 52% | 0.524 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -102.3 | -21.8 | -178.9 | -53.7 | 0 | 0 | 0 | 0 | 113.3 | F92 L93 S94 | F92-S96 WeakPolarHBondContact O-CB 3.26Å; F92-S96 PolarHBondContact O-N 3.17Å; F92-S96 VanDerWaalsContact O-N 3.08Å; F92-S96 PolarHBondContact O-OG 3.27Å; L93-S96 PolarHBondContact O-N 2.74Å; S94-S96 VanDerWaalsContact C-N 3.35Å |
| 97 | L | 76.3 | Confident | 75.5 | Confident | 60 Ų | 60 | 91.7 Ų | 91.7 | 31% | 0.314 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -99.4 | 146.6 | -180 | -123.9 | 61.4 | 0 | 0 | 0 | 110.5 | L93 I106 | L93-L97 WeakPolarHBondContact O-CB 3.48Å; L93-L97 PolarHBondContact O-N 2.99Å; L97-I106 HydrophobicContact CD2-CB 4.2Å; L97-I106 HydrophobicContact CD2-CG2 3.94Å |
| 98 | P | 73.6 | Confident | 75.9 | Confident | 85 Ų | 85 | 93.5 Ų | 93.5 | 55% | 0.552 | 47% | 0.469 | S | S | * | . | trans | -59.2 | 146.3 | 176.2 | -22.4 | 33.1 | 0 | 0 | 0 | 112.3 | D100 S103 | P98-D100 PolarHBondContact O-N 3.42Å; P98-S103 WeakPolarHBondContact O-CB 3.17Å; P98-S103 PolarHBondContact O-OG 3.44Å | ||
| 99 | D | 68.9 | Low | 76.3 | Confident | 167 Ų | 167 | 96 Ų | 96 | 89% | 0.893 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -69.4 | 53.9 | -178.8 | -73 | -45 | 0 | 0 | 0 | 113.9 | ||
| 100 | D | 73.9 | Confident | 76.5 | Confident | 102 Ų | 102 | 97.3 Ų | 97.3 | 55% | 0.545 | 49% | 0.494 | S | S | . | . | trans | -100.1 | 145.2 | 173.4 | -67 | -57.8 | 0 | 0 | 0 | 110.4 | P98 K102 S103 M104 | P98-D100 PolarHBondContact O-N 3.42Å; D100-K102 PolarHBondContact O-N 3.44Å; D100-K102 VanDerWaalsContact O-N 3.09Å; D100-S103 WeakPolarHBondContact O-CA 3.35Å; D100-S103 VanDerWaalsContact O-CB 3.25Å; D100-S103 WeakPolarHBondContact O-CB 3.36Å; D100-S103 PolarHBondContact O-N 2.88Å; D100-M104 PolarHBondContact O-N 2.9Å; D100-M104 VanDerWaalsContact O-N 3.12Å | ||
| 101 | K | 72.2 | Confident | 76.7 | Confident | 195 Ų | 195 | 94 Ų | 94 | 85% | 0.848 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -53.8 | -33.5 | 173.3 | -75 | 179.7 | 178.9 | 175.4 | 0 | 112.7 | M104 L105 | K101-M104 PolarHBondContact O-N 2.72Å; K101-L105 PolarHBondContact O-N 2.66Å |
| 102 | K | 73.7 | Confident | 76.8 | Confident | 171 Ų | 171 | 90.5 Ų | 90.5 | 74% | 0.743 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -68.6 | -38.6 | 175.3 | -67.9 | -178 | -178.9 | 177 | 0 | 111.7 | D100 M104 L105 I106 | D100-K102 PolarHBondContact O-N 3.44Å; D100-K102 VanDerWaalsContact O-N 3.09Å; K102-M104 VanDerWaalsContact C-N 3.28Å; K102-M104 PolarHBondContact O-N 3.16Å; K102-L105 PolarHBondContact O-N 3.5Å; K102-I106 VanDerWaalsContact O-CG1 3.29Å; K102-I106 WeakPolarHBondContact O-CG1 3.29Å; K102-I106 PolarHBondContact O-N 3.07Å |
| 103 | S | 70.7 | Confident | 77.2 | Confident | 14 Ų | 14 | 91.4 Ų | 91.4 | 10% | 0.098 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -63.1 | -34.9 | 175.7 | -59.8 | 0 | 0 | 0 | 0 | 112.2 | P98 D100 I106 T107 | P98-S103 WeakPolarHBondContact O-CB 3.17Å; P98-S103 PolarHBondContact O-OG 3.44Å; D100-S103 WeakPolarHBondContact O-CA 3.35Å; D100-S103 VanDerWaalsContact O-CB 3.25Å; D100-S103 WeakPolarHBondContact O-CB 3.36Å; D100-S103 PolarHBondContact O-N 2.88Å; S103-I106 PolarHBondContact O-N 3.39Å; S103-T107 VanDerWaalsContact O-CB 3.29Å; S103-T107 WeakPolarHBondContact O-CB 3.46Å; S103-T107 PolarHBondContact O-N 2.89Å; S103-T107 PolarHBondContact O-OG1 3.16Å |
| 104 | M | 70.7 | Confident | 77.4 | Confident | 129 Ų | 129 | 92.6 Ų | 92.6 | 64% | 0.635 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -63.9 | -43.8 | 174.8 | -162 | 175.4 | 80.1 | 0 | 0 | 111.4 | D100 K101 K102 T107 E108 | D100-M104 PolarHBondContact O-N 2.9Å; D100-M104 VanDerWaalsContact O-N 3.12Å; K101-M104 PolarHBondContact O-N 2.72Å; K102-M104 VanDerWaalsContact C-N 3.28Å; K102-M104 PolarHBondContact O-N 3.16Å; M104-T107 WeakPolarHBondContact O-CB 3.15Å; M104-T107 PolarHBondContact O-N 3.42Å; M104-E108 PolarHBondContact O-N 2.9Å |
| 105 | L | 78 | Confident | 77.5 | Confident | 113 Ų | 113 | 91.1 Ų | 91.1 | 59% | 0.592 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -64.9 | -41.3 | 175 | -175.5 | 67.4 | 0 | 0 | 0 | 112.1 | K101 K102 T107 E108 H109 | K101-L105 PolarHBondContact O-N 2.66Å; K102-L105 PolarHBondContact O-N 3.5Å; L105-T107 VanDerWaalsContact C-N 3.3Å; L105-T107 PolarHBondContact O-N 2.83Å; L105-E108 PolarHBondContact O-N 2.87Å; L105-H109 VanDerWaalsContact O-CB 3.28Å; L105-H109 WeakPolarHBondContact O-CB 3.42Å; L105-H109 PolarHBondContact O-N 3.22Å |
| 106 | I | 77.5 | Confident | 77.8 | Confident | 88 Ų | 88 | 89.9 Ų | 89.9 | 45% | 0.451 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 174.9 | -66.9 | 162.9 | 0 | 0 | 0 | 109.9 | L97 K102 S103 H109 C110 | L97-I106 HydrophobicContact CD2-CB 4.2Å; L97-I106 HydrophobicContact CD2-CG2 3.94Å; K102-I106 VanDerWaalsContact O-CG1 3.29Å; K102-I106 WeakPolarHBondContact O-CG1 3.29Å; K102-I106 PolarHBondContact O-N 3.07Å; S103-I106 PolarHBondContact O-N 3.39Å; I106-H109 PolarHBondContact O-N 3.3Å; I106-C110 WeakPolarHBondContact O-CB 3.49Å; I106-C110 PolarHBondContact O-N 2.74Å; I106-C110 PolarHBondContact O-SG 2.65Å |
| 107 | T | 78.8 | Confident | 78.1 | Confident | 2 Ų | 2 | 90.1 Ų | 90.1 | 1% | 0.012 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -61 | -52 | 178.1 | -63.9 | 0 | 0 | 0 | 0 | 111 | L93 S103 M104 L105 H109 C110 V111 | L93-T107 HydrophobicContact CB-CG2 3.5Å; L93-T107 VanDerWaalsContact CB-CG2 3.5Å; L93-T107 HydrophobicContact CD1-CG2 4.2Å; S103-T107 VanDerWaalsContact O-CB 3.29Å; S103-T107 WeakPolarHBondContact O-CB 3.46Å; S103-T107 PolarHBondContact O-N 2.89Å; S103-T107 PolarHBondContact O-OG1 3.16Å; M104-T107 WeakPolarHBondContact O-CB 3.15Å; M104-T107 PolarHBondContact O-N 3.42Å; L105-T107 VanDerWaalsContact C-N 3.3Å; L105-T107 PolarHBondContact O-N 2.83Å; T107-H109 PolarHBondContact O-N 3.12Å; T107-C110 PolarHBondContact O-N 3.27Å; T107-V111 HydrophobicContact CG2-CG2 4.46Å; T107-V111 WeakPolarHBondContact O-CB 3.22Å; T107-V111 WeakPolarHBondContact O-CG2 3.24Å; T107-V111 PolarHBondContact O-N 2.94Å |
| 108 | E | 80.7 | Confident | 78.1 | Confident | 103 Ų | 103 | 90.4 Ų | 90.4 | 48% | 0.481 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -59.3 | -47 | 177.2 | -176.8 | -177.2 | -154.1 | 0 | 0 | 111.7 | M104 L105 C110 V111 N112 | M104-E108 PolarHBondContact O-N 2.9Å; L105-E108 PolarHBondContact O-N 2.87Å; E108-C110 PolarHBondContact O-N 3.11Å; E108-V111 PolarHBondContact O-N 2.89Å; E108-N112 PolarHBondContact O-N 3.48Å; E108-N112 PolarHBondContact O-ND2 3.47Å |
| 109 | H | 83.2 | Confident | 78.4 | Confident | 129 Ų | 129 | 92.7 Ų | 92.7 | 60% | 0.597 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -63.2 | -42.7 | 178.9 | -171.3 | -11.2 | 0 | 0 | 0 | 111.6 | L105 I106 T107 V111 N112 Y113 | L105-H109 VanDerWaalsContact O-CB 3.28Å; L105-H109 WeakPolarHBondContact O-CB 3.42Å; L105-H109 PolarHBondContact O-N 3.22Å; I106-H109 PolarHBondContact O-N 3.3Å; T107-H109 PolarHBondContact O-N 3.12Å; H109-V111 VanDerWaalsContact C-N 3.35Å; H109-N112 PolarHBondContact O-N 3.43Å; H109-Y113 VanDerWaalsContact O-CB 3.24Å; H109-Y113 WeakPolarHBondContact O-CB 3.19Å; H109-Y113 PolarHBondContact O-N 3.46Å |
| 110 | C | 81.6 | Confident | 79.2 | Confident | 50 Ų | 50 | 88.8 Ų | 88.8 | 34% | 0.338 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -62.9 | -42.1 | 176.1 | -77.5 | 0 | 0 | 0 | 0 | 111.5 | L93 I106 T107 E108 Y113 I114 | L93-C110 HydrophobicContact CD1-CB 3.63Å; I106-C110 WeakPolarHBondContact O-CB 3.49Å; I106-C110 PolarHBondContact O-N 2.74Å; I106-C110 PolarHBondContact O-SG 2.65Å; T107-C110 PolarHBondContact O-N 3.27Å; E108-C110 PolarHBondContact O-N 3.11Å; C110-Y113 PolarHBondContact O-N 3.35Å; C110-I114 WeakPolarHBondContact O-CB 3.41Å; C110-I114 WeakPolarHBondContact O-CD1 3.12Å; C110-I114 WeakPolarHBondContact O-CG1 3.47Å; C110-I114 PolarHBondContact O-N 3.27Å |
| 111 | V | 83 | Confident | 79.4 | Confident | 4 Ų | 4 | 85.2 Ų | 85.2 | 2% | 0.024 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -59.5 | -52.4 | 176.6 | 170.8 | 0 | 0 | 0 | 0 | 110.2 | T86 L89 H90 L93 T107 E108 H109 Y113 I114 C115 | T86-V111 HydrophobicContact CG2-CG1 3.41Å; T86-V111 VanDerWaalsContact CG2-CG1 3.41Å; L89-V111 HydrophobicContact CB-CG2 4.2Å; L89-V111 HydrophobicContact CD2-CB 4.31Å; L89-V111 HydrophobicContact CD2-CG1 4.43Å; L89-V111 HydrophobicContact CD2-CG2 4.09Å; L89-V111 HydrophobicContact CG-CG2 3.86Å; H90-V111 HydrophobicContact CB-CG2 3.87Å; L93-V111 HydrophobicContact CD1-CG2 4.03Å; T107-V111 HydrophobicContact CG2-CG2 4.46Å; T107-V111 WeakPolarHBondContact O-CB 3.22Å; T107-V111 WeakPolarHBondContact O-CG2 3.24Å; T107-V111 PolarHBondContact O-N 2.94Å; E108-V111 PolarHBondContact O-N 2.89Å; H109-V111 VanDerWaalsContact C-N 3.35Å; V111-Y113 PolarHBondContact O-N 2.9Å; V111-I114 PolarHBondContact O-N 3.39Å; V111-C115 WeakPolarHBondContact O-CB 3.5Å; V111-C115 PolarHBondContact O-N 2.96Å; V111-C115 PolarHBondContact O-SG 2.88Å |
| 112 | N | 82.8 | Confident | 80 | Confident | 73 Ų | 73 | 78.4 Ų | 78.4 | 39% | 0.39 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.6 | -45.6 | -179.9 | -69.7 | -25.4 | 0 | 0 | 0 | 111.1 | E108 H109 I114 C115 D116 | E108-N112 PolarHBondContact O-N 3.48Å; E108-N112 PolarHBondContact O-ND2 3.47Å; H109-N112 PolarHBondContact O-N 3.43Å; N112-I114 VanDerWaalsContact C-N 3.33Å; N112-I114 PolarHBondContact O-N 2.85Å; N112-C115 PolarHBondContact O-N 3.26Å; N112-D116 WeakPolarHBondContact O-CB 3.19Å; N112-D116 PolarHBondContact O-N 2.88Å |
| 113 | Y | 85.8 | Confident | 80.3 | Confident | 147 Ų | 147 | 76.8 Ų | 76.8 | 58% | 0.576 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -58.6 | -43.3 | 177.2 | 177.8 | -96.9 | 0 | 0 | 0 | 112.4 | H109 C110 V111 F117 | H109-Y113 VanDerWaalsContact O-CB 3.24Å; H109-Y113 WeakPolarHBondContact O-CB 3.19Å; H109-Y113 PolarHBondContact O-N 3.46Å; C110-Y113 PolarHBondContact O-N 3.35Å; V111-Y113 PolarHBondContact O-N 2.9Å; Y113-F117 WeakPolarHBondContact O-CB 3.39Å; Y113-F117 PolarHBondContact O-N 3.3Å |
| 114 | I | 83.1 | Confident | 80.8 | Confident | 55 Ų | 55 | 82.1 Ų | 82.1 | 28% | 0.282 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -72 | -37.6 | 179.5 | -64.6 | 165.4 | 0 | 0 | 0 | 110.9 | F85 L89 C110 V111 N112 F117 I118 | F85-I114 HydrophobicContact CE1-CG2 3.71Å; F85-I114 HydrophobicContact CZ-CG2 3.69Å; L89-I114 HydrophobicContact CD1-CD1 4.29Å; L89-I114 HydrophobicContact CD2-CB 3.8Å; L89-I114 HydrophobicContact CD2-CD1 3.79Å; L89-I114 HydrophobicContact CD2-CG1 4.37Å; L89-I114 HydrophobicContact CD2-CG2 3.93Å; C110-I114 WeakPolarHBondContact O-CB 3.41Å; C110-I114 WeakPolarHBondContact O-CD1 3.12Å; C110-I114 WeakPolarHBondContact O-CG1 3.47Å; C110-I114 PolarHBondContact O-N 3.27Å; V111-I114 PolarHBondContact O-N 3.39Å; N112-I114 VanDerWaalsContact C-N 3.33Å; N112-I114 PolarHBondContact O-N 2.85Å; I114-F117 PolarHBondContact O-N 3.5Å; I114-I118 HydrophobicContact CG2-CD1 3.88Å; I114-I118 HydrophobicContact CG2-CG1 4.39Å; I114-I118 VanDerWaalsContact O-CG1 3.29Å; I114-I118 WeakPolarHBondContact O-CG1 3.24Å; I114-I118 PolarHBondContact O-N 3.44Å |
| 115 | C | 80.1 | Confident | 81.3 | Confident | 17 Ų | 17 | 79.2 Ų | 79.2 | 12% | 0.115 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -63.1 | -51.3 | 175.1 | -65 | 0 | 0 | 0 | 0 | 110.7 | V111 N112 F117 I118 D119 | V111-C115 WeakPolarHBondContact O-CB 3.5Å; V111-C115 PolarHBondContact O-N 2.96Å; V111-C115 PolarHBondContact O-SG 2.88Å; N112-C115 PolarHBondContact O-N 3.26Å; C115-F117 VanDerWaalsContact C-N 3.25Å; C115-F117 PolarHBondContact O-N 3.43Å; C115-I118 PolarHBondContact O-N 2.88Å; C115-I118 VanDerWaalsContact O-N 3.16Å; C115-D119 WeakPolarHBondContact O-CB 3.29Å; C115-D119 PolarHBondContact O-N 3.31Å |
| 116 | D | 82.5 | Confident | 81.4 | Confident | 108 Ų | 108 | 77.2 Ų | 77.2 | 58% | 0.578 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -58.4 | -40 | 176.3 | -67.3 | -18.7 | 0 | 0 | 0 | 111.3 | N112 S120 | N112-D116 WeakPolarHBondContact O-CB 3.19Å; N112-D116 PolarHBondContact O-N 2.88Å; D116-S120 WeakPolarHBondContact O-CB 3.32Å; D116-S120 PolarHBondContact O-N 2.91Å; D116-S120 PolarHBondContact O-OG 3.18Å |
| 117 | F | 82.6 | Confident | 81.4 | Confident | 81 Ų | 81 | 77.5 Ų | 77.5 | 36% | 0.355 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -62.3 | -52 | 175.8 | -179 | -106.4 | 0 | 0 | 0 | 111 | Y113 I114 C115 D119 S120 L121 Y129 | Y113-F117 WeakPolarHBondContact O-CB 3.39Å; Y113-F117 PolarHBondContact O-N 3.3Å; I114-F117 PolarHBondContact O-N 3.5Å; C115-F117 VanDerWaalsContact C-N 3.25Å; C115-F117 PolarHBondContact O-N 3.43Å; F117-D119 VanDerWaalsContact C-N 3.3Å; F117-D119 PolarHBondContact O-N 3.38Å; F117-S120 WeakPolarHBondContact O-CB 3.41Å; F117-S120 PolarHBondContact O-N 2.79Å; F117-S120 PolarHBondContact O-OG 2.81Å; F117-L121 HydrophobicContact CD1-CD1 4.16Å; F117-L121 HydrophobicContact CD1-CG 4.47Å; F117-L121 HydrophobicContact CE1-CD1 3.78Å; F117-L121 HydrophobicContact CE1-CD2 4.15Å; F117-L121 HydrophobicContact CE1-CG 4.22Å; F117-L121 HydrophobicContact CE2-CD2 4.18Å; F117-L121 HydrophobicContact CZ-CD1 4.32Å; F117-L121 HydrophobicContact CZ-CD2 3.84Å; F117-L121 HydrophobicContact CZ-CG 4.39Å; F117-L121 WeakPolarHBondContact O-CG 3.29Å; F117-L121 PolarHBondContact O-N 3.45Å; F117-Y129 HydrophobicContact CE1-CE2 4.49Å; F117-Y129 HydrophobicContact CZ-CE2 4.37Å |
| 118 | I | 77.9 | Confident | 81.6 | Confident | 65 Ų | 65 | 84 Ų | 84 | 33% | 0.333 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.3 | -41.5 | 179.6 | -70.3 | 169.5 | 0 | 0 | 0 | 111.3 | F85 I114 C115 S120 L121 | F85-I118 HydrophobicContact CD1-CD1 4.22Å; F85-I118 HydrophobicContact CE1-CD1 3.51Å; F85-I118 HydrophobicContact CE2-CD1 4.41Å; F85-I118 HydrophobicContact CZ-CD1 3.6Å; I114-I118 HydrophobicContact CG2-CD1 3.88Å; I114-I118 HydrophobicContact CG2-CG1 4.39Å; I114-I118 VanDerWaalsContact O-CG1 3.29Å; I114-I118 WeakPolarHBondContact O-CG1 3.24Å; I114-I118 PolarHBondContact O-N 3.44Å; C115-I118 PolarHBondContact O-N 2.88Å; C115-I118 VanDerWaalsContact O-N 3.16Å; I118-S120 PolarHBondContact O-N 3.44Å; I118-L121 WeakPolarHBondContact O-CB 3.18Å; I118-L121 PolarHBondContact O-N 3.33Å; I118-L121 VanDerWaalsContact O-N 3.15Å |
| 119 | D | 78.4 | Confident | 81.5 | Confident | 134 Ų | 134 | 83.7 Ų | 83.7 | 72% | 0.717 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -67.8 | -24.7 | 178.2 | -71.1 | -19.3 | 0 | 0 | 0 | 112.4 | C115 F117 | C115-D119 WeakPolarHBondContact O-CB 3.29Å; C115-D119 PolarHBondContact O-N 3.31Å; F117-D119 VanDerWaalsContact C-N 3.3Å; F117-D119 PolarHBondContact O-N 3.38Å |
| 120 | S | 85.8 | Confident | 81 | Confident | 85 Ų | 85 | 80.6 Ų | 80.6 | 59% | 0.594 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -80.7 | -15.8 | 174.2 | 78.6 | 0 | 0 | 0 | 0 | 114 | D116 F117 I118 | D116-S120 WeakPolarHBondContact O-CB 3.32Å; D116-S120 PolarHBondContact O-N 2.91Å; D116-S120 PolarHBondContact O-OG 3.18Å; F117-S120 WeakPolarHBondContact O-CB 3.41Å; F117-S120 PolarHBondContact O-N 2.79Å; F117-S120 PolarHBondContact O-OG 2.81Å; I118-S120 PolarHBondContact O-N 3.44Å |
| 121 | L | 79.5 | Confident | 80.6 | Confident | 26 Ų | 26 | 83.7 Ų | 83.7 | 14% | 0.136 | 42% | 0.424 | C | S | . | . | S | Bend | trans | -78.2 | 137.7 | -177.9 | -66.1 | 177.4 | 0 | 0 | 0 | 111.4 | F117 I118 E125 I126 Y129 | F117-L121 HydrophobicContact CD1-CD1 4.16Å; F117-L121 HydrophobicContact CD1-CG 4.47Å; F117-L121 HydrophobicContact CE1-CD1 3.78Å; F117-L121 HydrophobicContact CE1-CD2 4.15Å; F117-L121 HydrophobicContact CE1-CG 4.22Å; F117-L121 HydrophobicContact CE2-CD2 4.18Å; F117-L121 HydrophobicContact CZ-CD1 4.32Å; F117-L121 HydrophobicContact CZ-CD2 3.84Å; F117-L121 HydrophobicContact CZ-CG 4.39Å; F117-L121 WeakPolarHBondContact O-CG 3.29Å; F117-L121 PolarHBondContact O-N 3.45Å; I118-L121 WeakPolarHBondContact O-CB 3.18Å; I118-L121 PolarHBondContact O-N 3.33Å; I118-L121 VanDerWaalsContact O-N 3.15Å; L121-E125 HydrophobicContact CB-CB 4.29Å; L121-E125 HydrophobicContact CD2-CB 4.11Å; L121-I126 HydrophobicContact CB-CD1 4.27Å; L121-I126 HydrophobicContact CB-CG1 3.74Å; L121-I126 HydrophobicContact CD1-CG1 4.19Å; L121-Y129 HydrophobicContact CD1-CD2 3.78Å; L121-Y129 HydrophobicContact CD1-CE2 3.76Å; L121-Y129 HydrophobicContact CD2-CE2 3.81Å; L121-Y129 HydrophobicContact CG-CE2 4.44Å |
| 122 | S | 83.9 | Confident | 80 | Confident | 53 Ų | 53 | 89.9 Ų | 89.9 | 37% | 0.371 | 45% | 0.453 | S | S | . | . | trans | -70.1 | 158 | 167.3 | 61.2 | 0 | 0 | 0 | 0 | 111.9 | D124 E125 I126 | S122-D124 PolarHBondContact O-N 3.48Å; S122-E125 PolarHBondContact N-OE2 2.93Å; S122-E125 VanDerWaalsContact N-OE2 3.07Å; S122-E125 WeakPolarHBondContact O-CB 3.45Å; S122-E125 PolarHBondContact O-N 2.89Å; S122-E125 VanDerWaalsContact OG-CG 3.26Å; S122-E125 WeakPolarHBondContact OG-CG 3.28Å; S122-E125 PolarHBondContact OG-N 3.45Å; S122-E125 PolarHBondContact OG-OE2 2.75Å; S122-I126 WeakPolarHBondContact O-CG1 3.37Å; S122-I126 PolarHBondContact O-N 3.19Å | ||
| 123 | L | 80 | Confident | 78.7 | Confident | 137 Ų | 137 | 94.8 Ų | 94.8 | 72% | 0.717 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -56.4 | -38.6 | 176.7 | -174.2 | 64.5 | 0 | 0 | 0 | 111.9 | I126 E127 | L123-I126 PolarHBondContact O-N 2.82Å; L123-E127 WeakPolarHBondContact O-CB 3.29Å; L123-E127 PolarHBondContact O-N 3.08Å |
| 124 | D | 81.3 | Confident | 77.1 | Confident | 126 Ų | 126 | 90.6 Ų | 90.6 | 67% | 0.674 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -63.7 | -39 | 175.5 | -66.3 | -74.9 | 0 | 0 | 0 | 112.4 | S122 E127 R128 | S122-D124 PolarHBondContact O-N 3.48Å; D124-E127 PolarHBondContact O-N 3.28Å; D124-R128 VanDerWaalsContact O-CB 3.31Å; D124-R128 WeakPolarHBondContact O-CB 3.31Å; D124-R128 PolarHBondContact O-N 3.02Å |
| 125 | E | 81.7 | Confident | 75.5 | Confident | 67 Ų | 67 | 94.1 Ų | 94.1 | 31% | 0.313 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69.6 | -41.8 | 176 | -74.8 | 174.8 | 117.2 | 0 | 0 | 112.1 | L121 S122 E127 R128 Y129 | L121-E125 HydrophobicContact CB-CB 4.29Å; L121-E125 HydrophobicContact CD2-CB 4.11Å; S122-E125 PolarHBondContact N-OE2 2.93Å; S122-E125 VanDerWaalsContact N-OE2 3.07Å; S122-E125 WeakPolarHBondContact O-CB 3.45Å; S122-E125 PolarHBondContact O-N 2.89Å; S122-E125 VanDerWaalsContact OG-CG 3.26Å; S122-E125 WeakPolarHBondContact OG-CG 3.28Å; S122-E125 PolarHBondContact OG-N 3.45Å; S122-E125 PolarHBondContact OG-OE2 2.75Å; E125-E127 VanDerWaalsContact C-N 3.31Å; E125-E127 PolarHBondContact O-N 3.38Å; E125-R128 WeakPolarHBondContact O-CB 3.24Å; E125-R128 PolarHBondContact O-N 2.84Å; E125-R128 IonicContact OE1-NH2 2.63Å; E125-Y129 HydrophobicContact CB-CE2 4.4Å; E125-Y129 WeakPolarHBondContact O-CD2 3.29Å; E125-Y129 PolarHBondContact O-N 3.49Å |
| 126 | I | 79.6 | Confident | 73.9 | Confident | 72 Ų | 72 | 98.2 Ų | 98.2 | 37% | 0.369 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.1 | -45.3 | 174.6 | -63.3 | 170.5 | 0 | 0 | 0 | 109.6 | L121 S122 L123 R128 Y129 A130 | L121-I126 HydrophobicContact CB-CD1 4.27Å; L121-I126 HydrophobicContact CB-CG1 3.74Å; L121-I126 HydrophobicContact CD1-CG1 4.19Å; S122-I126 WeakPolarHBondContact O-CG1 3.37Å; S122-I126 PolarHBondContact O-N 3.19Å; L123-I126 PolarHBondContact O-N 2.82Å; I126-R128 VanDerWaalsContact C-N 3.33Å; I126-R128 PolarHBondContact O-N 3.49Å; I126-Y129 PolarHBondContact O-N 3.4Å; I126-A130 WeakPolarHBondContact O-CB 3.35Å; I126-A130 PolarHBondContact O-N 3.02Å |
| 127 | E | 77.9 | Confident | 72.1 | Confident | 93 Ų | 93 | 97.9 Ų | 97.9 | 44% | 0.435 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.8 | -40.9 | 176.7 | -169 | -178.8 | 166.5 | 0 | 0 | 111.5 | L123 D124 E125 A130 K131 | L123-E127 WeakPolarHBondContact O-CB 3.29Å; L123-E127 PolarHBondContact O-N 3.08Å; D124-E127 PolarHBondContact O-N 3.28Å; E125-E127 VanDerWaalsContact C-N 3.31Å; E125-E127 PolarHBondContact O-N 3.38Å; E127-A130 PolarHBondContact O-N 2.97Å; E127-K131 HydrophobicContact CG-CD 4.15Å; E127-K131 WeakPolarHBondContact O-CB 3.42Å; E127-K131 VanDerWaalsContact O-CG 3.32Å; E127-K131 WeakPolarHBondContact O-CG 3.25Å; E127-K131 PolarHBondContact O-N 2.8Å; E127-K131 WeakPolarHBondContact OE1-CE 2.92Å; E127-K131 IonicContact OE1-NZ 3.46Å; E127-K131 PolarHBondContact OE1-NZ 3.37Å |
| 128 | R | 82.8 | Confident | 70.2 | Confident | 139 Ų | 139 | 100.6 Ų | 100.6 | 53% | 0.525 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60.5 | -46.9 | 174.7 | -174.7 | -173.7 | 68.5 | -178.2 | -4.9 | 111.6 | D124 E125 I126 K131 Q132 | D124-R128 VanDerWaalsContact O-CB 3.31Å; D124-R128 WeakPolarHBondContact O-CB 3.31Å; D124-R128 PolarHBondContact O-N 3.02Å; E125-R128 WeakPolarHBondContact O-CB 3.24Å; E125-R128 PolarHBondContact O-N 2.84Å; E125-R128 IonicContact OE1-NH2 2.63Å; I126-R128 VanDerWaalsContact C-N 3.33Å; I126-R128 PolarHBondContact O-N 3.49Å; R128-K131 PolarHBondContact O-N 3.27Å; R128-Q132 PolarHBondContact O-N 3.24Å; R128-Q132 VanDerWaalsContact O-N 3.1Å |
| 129 | Y | 78.2 | Confident | 68.3 | Low | 97 Ų | 97 | 102.3 Ų | 102.3 | 38% | 0.38 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.4 | -41.1 | 177.4 | -76.1 | -60 | 0 | 0 | 0 | 112 | F117 L121 E125 I126 Q132 | F117-Y129 HydrophobicContact CE1-CE2 4.49Å; F117-Y129 HydrophobicContact CZ-CE2 4.37Å; L121-Y129 HydrophobicContact CD1-CD2 3.78Å; L121-Y129 HydrophobicContact CD1-CE2 3.76Å; L121-Y129 HydrophobicContact CD2-CE2 3.81Å; L121-Y129 HydrophobicContact CG-CE2 4.44Å; E125-Y129 HydrophobicContact CB-CE2 4.4Å; E125-Y129 WeakPolarHBondContact O-CD2 3.29Å; E125-Y129 PolarHBondContact O-N 3.49Å; I126-Y129 PolarHBondContact O-N 3.4Å; Y129-Q132 PolarHBondContact O-N 3.4Å |
| 130 | A | 72.6 | Confident | 66.3 | Low | 63 Ų | 63 | 101.4 Ų | 101.4 | 52% | 0.521 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.3 | -42.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I126 E127 Q132 K133 C134 | I126-A130 WeakPolarHBondContact O-CB 3.35Å; I126-A130 PolarHBondContact O-N 3.02Å; E127-A130 PolarHBondContact O-N 2.97Å; A130-Q132 PolarHBondContact O-N 2.78Å; A130-K133 PolarHBondContact O-N 3.12Å; A130-C134 PolarHBondContact O-N 3.46Å |
| 131 | K | 74 | Confident | 64.2 | Low | 116 Ų | 116 | 102.2 Ų | 102.2 | 50% | 0.504 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.2 | -38.7 | 177.8 | -79.3 | 172.1 | 169.5 | 167.4 | 0 | 112.7 | E127 R128 K133 C134 L135 | E127-K131 HydrophobicContact CG-CD 4.15Å; E127-K131 WeakPolarHBondContact O-CB 3.42Å; E127-K131 VanDerWaalsContact O-CG 3.32Å; E127-K131 WeakPolarHBondContact O-CG 3.25Å; E127-K131 PolarHBondContact O-N 2.8Å; E127-K131 WeakPolarHBondContact OE1-CE 2.92Å; E127-K131 IonicContact OE1-NZ 3.46Å; E127-K131 PolarHBondContact OE1-NZ 3.37Å; R128-K131 PolarHBondContact O-N 3.27Å; K131-K133 PolarHBondContact O-N 3.43Å; K131-C134 PolarHBondContact O-N 2.92Å; K131-L135 PolarHBondContact O-N 3.09Å |
| 132 | Q | 68.7 | Low | 62.1 | Low | 134 Ų | 134 | 104.8 Ų | 104.8 | 63% | 0.626 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -58.5 | -34 | 179.3 | -166.8 | 176.7 | 7.3 | 0 | 0 | 112.2 | R128 Y129 A130 | R128-Q132 PolarHBondContact O-N 3.24Å; R128-Q132 VanDerWaalsContact O-N 3.1Å; Y129-Q132 PolarHBondContact O-N 3.4Å; A130-Q132 PolarHBondContact O-N 2.78Å |
| 133 | K | 55.4 | Low | 59.7 | Low | 176 Ų | 176 | 107.5 Ų | 107.5 | 77% | 0.765 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -76.1 | -26.8 | 176.4 | -161.4 | 169.2 | -175.9 | 178.3 | 0 | 113.2 | A130 K131 | A130-K133 PolarHBondContact O-N 3.12Å; K131-K133 PolarHBondContact O-N 3.43Å |
| 134 | C | 53.5 | Low | 57.5 | Low | 59 Ų | 59 | 106.3 Ų | 106.3 | 40% | 0.399 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -79.8 | -26.8 | 177.8 | -135.5 | 0 | 0 | 0 | 0 | 112.7 | A130 K131 S136 S137 | A130-C134 PolarHBondContact O-N 3.46Å; K131-C134 PolarHBondContact O-N 2.92Å; C134-S136 PolarHBondContact O-N 2.78Å; C134-S137 PolarHBondContact O-N 2.88Å |
| 135 | L | 49.5 | Very low | 55.4 | Low | 129 Ų | 129 | 105.5 Ų | 105.5 | 68% | 0.675 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -13 | 179.1 | -89.9 | 146.5 | 0 | 0 | 0 | 114.7 | K131 S137 | K131-L135 PolarHBondContact O-N 3.09Å; L135-S137 VanDerWaalsContact C-N 3.29Å |
| 136 | S | 46.4 | Very low | 53.1 | Low | 103 Ų | 103 | 107.5 Ų | 107.5 | 72% | 0.72 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -6.8 | 172.6 | -53.5 | 0 | 0 | 0 | 0 | 114.3 | C134 | C134-S136 PolarHBondContact O-N 2.78Š|
| 137 | S | 45.3 | Very low | 51.2 | Low | 100 Ų | 100 | 113.7 Ų | 113.7 | 70% | 0.699 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.2 | -10.8 | -175.3 | -54 | 0 | 0 | 0 | 0 | 115.4 | C134 L135 | C134-S137 PolarHBondContact O-N 2.88Å; L135-S137 VanDerWaalsContact C-N 3.29Å |
| 138 | E | 41.4 | Very low | 49.9 | Very low | 138 Ų | 138 | 114.7 Ų | 114.7 | 65% | 0.645 | 71% | 0.706 | S | S | * | * | trans | -106 | 16.6 | -176.4 | -75.1 | -173.7 | 120.8 | 0 | 0 | 114.6 | S140 | E138-S140 PolarHBondContact O-N 2.74Å; E138-S140 VanDerWaalsContact O-N 3.1Å | ||
| 139 | S | 37.9 | Very low | 48.1 | Very low | 102 Ų | 102 | 113.4 Ų | 113.4 | 71% | 0.713 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | 40.7 | 172.2 | 69.2 | 0 | 0 | 0 | 0 | 113.2 | ||
| 140 | S | 37.3 | Very low | 46.5 | Very low | 115 Ų | 115 | 114.3 Ų | 114.3 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -157.5 | 43.7 | 176.6 | -55.6 | 0 | 0 | 0 | 0 | 113.9 | E138 | E138-S140 PolarHBondContact O-N 2.74Å; E138-S140 VanDerWaalsContact O-N 3.1Å |
| 141 | A | 41.4 | Very low | 44.9 | Very low | 102 Ų | 102 | 117.4 Ų | 117.4 | 84% | 0.843 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -150.4 | 104 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 142 | G | 35.2 | Very low | 43.1 | Very low | 79 Ų | 79 | 117.4 Ų | 117.4 | 81% | 0.814 | 76% | 0.762 | S | S | * | * | trans | 142.3 | 33.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 143 | S | 34.6 | Very low | 41.4 | Very low | 111 Ų | 111 | 116.3 Ų | 116.3 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | -73.4 | 130.9 | 156.5 | 30 | 0 | 0 | 0 | 0 | 110 | ||||
| 144 | S | 32.9 | Very low | 40.4 | Very low | 111 Ų | 111 | 112.1 Ų | 112.1 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | trans | 58.2 | 108.8 | 147.9 | 59.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 145 | S | 36.9 | Very low | 39.4 | Very low | 110 Ų | 110 | 116.2 Ų | 116.2 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | -160.7 | 98.5 | 138.7 | 40.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 146 | S | 33.5 | Very low | 38.6 | Very low | 108 Ų | 108 | 115.1 Ų | 115.1 | 76% | 0.755 | 81% | 0.811 | S | S | * | * | 71.3 | 93.1 | 90.5 | 67 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 147 | S | 39.9 | Very low | 37.9 | Very low | 202 Ų | 202 | 116.2 Ų | 116.2 | 100% | 1.413 | 82% | 0.819 | S | S | * | * | -173.4 | 0 | 128.4 | -73.6 | 0 | 0 | 0 | 0 | 109.1 |
Retrieved 147 of 147 residues in 89.1 ms
(Link to these results)