| 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 | 32.2 | Very low | 43 | Very low | 206 Ų | 206 | 92.9 Ų | 92.9 | 100% | 1.015 | 62% | 0.622 | S | S | * | * | 0 | 100 | 0 | -69.5 | -66.3 | -94.8 | 0 | 0 | 108.7 | L11 | M1-L11 HydrophobicContact CE-CD1 4.14Š| |||
| 2 | A | 26.5 | Very low | 46.4 | Very low | 108 Ų | 108 | 96.4 Ų | 96.4 | 89% | 0.893 | 62% | 0.623 | S | S | * | * | trans | -161.1 | 141.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 3 | G | 27.8 | Very low | 49.5 | Very low | 76 Ų | 76 | 91.5 Ų | 91.5 | 78% | 0.784 | 59% | 0.588 | S | S | * | * | trans | 79.1 | 70.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | K5 | G3-K5 PolarHBondContact O-N 3.14Š| ||
| 4 | A | 28.9 | Very low | 52 | Low | 68 Ų | 68 | 96.1 Ų | 96.1 | 56% | 0.562 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 128.9 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | V8 | A4-V8 HydrophobicContact CB-CB 4.45Š|
| 5 | K | 31.1 | Very low | 54.4 | Low | 124 Ų | 124 | 95.7 Ų | 95.7 | 54% | 0.539 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -76.1 | 158.6 | 170.9 | -68.1 | 179.2 | -174.9 | 170.2 | 0 | 109.9 | G3 G7 V8 V262 | G3-K5 PolarHBondContact O-N 3.14Å; K5-G7 PolarHBondContact O-N 3.32Å; K5-V8 PolarHBondContact O-N 3.3Å; K5-V8 VanDerWaalsContact O-N 3.11Å; K5-V262 PolarHBondContact NZ-O 2.78Å |
| 6 | P | 28.8 | Very low | 56.5 | Low | 131 Ų | 131 | 91.9 Ų | 91.9 | 85% | 0.851 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.8 | 130.3 | 166.2 | -24.6 | 34.5 | 0 | 0 | 0 | 110.7 | ||
| 7 | G | 42.5 | Very low | 58.6 | Low | 78 Ų | 78 | 94.1 Ų | 94.1 | 80% | 0.804 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 93.9 | 0.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116 | K5 | K5-G7 PolarHBondContact O-N 3.32Š|
| 8 | V | 53.7 | Low | 60.6 | Low | 39 Ų | 39 | 89.2 Ų | 89.2 | 24% | 0.236 | 55% | 0.546 | C | S | . | . | S | Bend | trans | -107.4 | 132 | 169.2 | -176.3 | 0 | 0 | 0 | 0 | 109.5 | A4 K5 A10 | A4-V8 HydrophobicContact CB-CB 4.45Å; K5-V8 PolarHBondContact O-N 3.3Å; K5-V8 VanDerWaalsContact O-N 3.11Å; V8-A10 PolarHBondContact O-N 2.99Å |
| 9 | H | 61.4 | Low | 62.4 | Low | 64 Ų | 64 | 88.1 Ų | 88.1 | 30% | 0.296 | 53% | 0.533 | S | S | . | . | trans | -57.6 | 125.4 | 178.1 | -178.2 | 67.6 | 0 | 0 | 0 | 111.5 | L11 D314 L315 | H9-L11 PolarHBondContact O-N 2.87Å; H9-D314 IonicContact CD2-OD2 3.03Å; H9-D314 IonicContact CE1-OD2 2.71Å; H9-D314 IonicContact NE2-OD2 2.83Å; H9-D314 PolarHBondContact NE2-OD2 3.36Å; H9-L315 PolarHBondContact CE1-O 2.83Å; H9-L315 PolarHBondContact NE2-O 3.07Å | ||
| 10 | A | 63.8 | Low | 64.1 | Low | 65 Ų | 65 | 88.2 Ų | 88.2 | 54% | 0.537 | 53% | 0.528 | S | S | . | . | trans | -86.6 | 102.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | V8 Q12 | V8-A10 PolarHBondContact O-N 2.99Å; A10-Q12 VanDerWaalsContact O-CG 3.31Å; A10-Q12 WeakPolarHBondContact O-CG 3.46Å; A10-Q12 PolarHBondContact O-N 2.95Å | ||
| 11 | L | 75.8 | Confident | 65.5 | Low | 63 Ų | 63 | 87.1 Ų | 87.1 | 33% | 0.33 | 52% | 0.517 | S | S | . | . | trans | -48 | 117.5 | 179.6 | -75.6 | 165.5 | 0 | 0 | 0 | 112.3 | M1 H9 L310 E311 D314 | M1-L11 HydrophobicContact CE-CD1 4.14Å; H9-L11 PolarHBondContact O-N 2.87Å; L11-L310 HydrophobicContact CD1-CB 4.33Å; L11-L310 HydrophobicContact CD2-CB 3.78Å; L11-E311 HydrophobicContact CD2-CB 4.49Å; L11-E311 HydrophobicContact CD2-CG 4.1Å; L11-E311 HydrophobicContact CG-CG 4.32Å; L11-D314 WeakPolarHBondContact CA-OD2 3.04Å; L11-D314 HydrophobicContact CD2-CB 4.34Å | ||
| 12 | Q | 83.9 | Confident | 68.5 | Low | 135 Ų | 135 | 77.3 Ų | 77.3 | 63% | 0.631 | 47% | 0.469 | S | S | * | . | trans | -95.6 | -16 | 179.4 | -51.1 | -169.6 | 21.9 | 0 | 0 | 112.4 | A10 K14 D314 | A10-Q12 VanDerWaalsContact O-CG 3.31Å; A10-Q12 WeakPolarHBondContact O-CG 3.46Å; A10-Q12 PolarHBondContact O-N 2.95Å; Q12-K14 PolarHBondContact O-N 3.4Å; Q12-K14 VanDerWaalsContact O-N 3.16Å; Q12-D314 PolarHBondContact N-OD2 2.87Å | ||
| 13 | L | 86.4 | Confident | 71.7 | Confident | 33 Ų | 33 | 75 Ų | 75 | 17% | 0.173 | 44% | 0.439 | C | S | . | . | trans | -57.9 | 114.7 | 179.9 | -63.1 | -176.2 | 0 | 0 | 0 | 112.3 | I143 L144 L313 D314 | L13-I143 HydrophobicContact CD1-CG2 4.05Å; L13-I143 HydrophobicContact CD2-CB 4.12Å; L13-I143 HydrophobicContact CD2-CD1 3.9Å; L13-I143 HydrophobicContact CD2-CG2 4.31Å; L13-L144 HydrophobicContact CB-CD1 4.01Å; L13-L144 HydrophobicContact CB-CD2 4.1Å; L13-L144 HydrophobicContact CB-CG 3.96Å; L13-L144 HydrophobicContact CD1-CD2 3.69Å; L13-L144 HydrophobicContact CD1-CG 4.26Å; L13-L313 HydrophobicContact CD1-CB 4.26Å; L13-D314 HydrophobicContact CD1-CB 4.01Å; L13-D314 HydrophobicContact CD2-CB 4.28Å; L13-D314 HydrophobicContact CG-CB 3.8Å | ||
| 14 | K | 85.4 | Confident | 74.9 | Confident | 156 Ų | 156 | 77.8 Ų | 77.8 | 68% | 0.678 | 43% | 0.429 | S | S | * | . | trans | -77.6 | 134.2 | 178.9 | -62.5 | 175.2 | -173.3 | 168 | 0 | 111.5 | Q12 N142 | Q12-K14 PolarHBondContact O-N 3.4Å; Q12-K14 VanDerWaalsContact O-N 3.16Å; K14-N142 PolarHBondContact O-ND2 3.46Å | ||
| 15 | P | 87.1 | Confident | 78 | Confident | 90 Ų | 90 | 75.4 Ų | 75.4 | 58% | 0.584 | 41% | 0.412 | S | S | * | . | trans | -55.3 | 155.9 | 167.4 | -25.2 | 35 | 0 | 0 | 0 | 112.6 | I17 | P15-I17 PolarHBondContact O-N 3.35Š| ||
| 16 | V | 88.9 | Confident | 81 | Confident | 35 Ų | 35 | 69.9 Ų | 69.9 | 21% | 0.212 | 39% | 0.389 | C | S | . | . | trans | -67.4 | 114.1 | 174.3 | -177.3 | 0 | 0 | 0 | 0 | 109.4 | N50 L139 N142 | V16-N50 WeakPolarHBondContact CG1-O 3.47Å; V16-L139 HydrophobicContact CG1-CD2 3.64Å; V16-N142 HydrophobicContact CG2-CB 4.48Å | ||
| 17 | I | 91.3 | Very high | 84.2 | Confident | 129 Ų | 129 | 69.2 Ų | 69.2 | 66% | 0.662 | 37% | 0.372 | S | S | * | . | trans | -125.5 | 119.9 | 174.5 | -59.8 | 173.9 | 0 | 0 | 0 | 106.7 | P15 | P15-I17 PolarHBondContact O-N 3.35Š| ||
| 18 | V | 94.9 | Very high | 86.6 | Confident | 6 Ų | 6 | 65.5 Ų | 65.5 | 4% | 0.036 | 33% | 0.334 | C | S | . | . | trans | -86.5 | 132.4 | 176 | -174.8 | 0 | 0 | 0 | 0 | 109.1 | L22 K23 V47 L139 | V18-L22 HydrophobicContact CG1-CB 3.87Å; V18-K23 HydrophobicContact CB-CG 4.14Å; V18-K23 HydrophobicContact CG1-CG 3.77Å; V18-K23 WeakPolarHBondContact O-CE 3.46Å; V18-K23 PolarHBondContact O-NZ 3.32Å; V18-V47 HydrophobicContact CG1-CB 4.08Å; V18-V47 HydrophobicContact CG1-CG1 4.01Å; V18-V47 HydrophobicContact CG2-CG1 4.39Å; V18-L139 HydrophobicContact CG1-CD1 4.21Å; V18-L139 HydrophobicContact CG2-CD1 4.21Å; V18-L139 HydrophobicContact CG2-CD2 4.01Å | ||
| 19 | H | 95.8 | Very high | 88.5 | Confident | 67 Ų | 67 | 65.8 Ų | 65.8 | 31% | 0.31 | 33% | 0.334 | S | S | . | . | trans | -64.7 | 146.1 | 175.4 | -172.3 | -102.4 | 0 | 0 | 0 | 112.4 | E21 L22 K23 I131 E135 | H19-E21 VanDerWaalsContact C-N 3.28Å; H19-E21 VanDerWaalsContact ND1-CB 3.34Å; H19-E21 WeakPolarHBondContact ND1-CB 3.33Å; H19-E21 PolarHBondContact ND1-N 2.97Å; H19-E21 PolarHBondContact O-N 3.37Å; H19-L22 HydrophobicContact CB-CD1 4.37Å; H19-L22 WeakPolarHBondContact O-CB 3.44Å; H19-L22 PolarHBondContact O-N 3.18Å; H19-L22 VanDerWaalsContact O-N 3.07Å; H19-K23 PolarHBondContact O-N 2.78Å; H19-K23 VanDerWaalsContact O-N 3.15Å; H19-I131 WeakPolarHBondContact ND1-CG2 3.22Å; H19-E135 HydrophobicContact CB-CB 4.36Å; H19-E135 HydrophobicContact CB-CG 3.81Å; H19-E135 WeakPolarHBondContact CB-OE2 3.34Å; H19-E135 IonicContact CD2-OE1 3.38Å; H19-E135 IonicContact CG-OE1 2.76Å | ||
| 20 | E | 95 | Very high | 89.9 | Confident | 91 Ų | 91 | 64.3 Ų | 64.3 | 43% | 0.425 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.2 | -34.5 | -174.9 | -82.7 | -64.1 | 115.5 | 0 | 0 | 113.9 | L22 K23 K24 | E20-L22 VanDerWaalsContact C-N 3.34Å; E20-K23 PolarHBondContact O-N 2.79Å; E20-K23 WeakPolarHBondContact OE1-CD 3.3Å; E20-K23 IonicContact OE1-NZ 3.06Å; E20-K23 PolarHBondContact OE1-NZ 3.47Å; E20-K24 WeakPolarHBondContact O-CD 3.39Å; E20-K24 WeakPolarHBondContact O-CG 3.48Å; E20-K24 PolarHBondContact O-N 3.07Å; E20-K24 VanDerWaalsContact OE2-CE 3.24Å; E20-K24 WeakPolarHBondContact OE2-CE 3.49Å; E20-K24 IonicContact OE2-NZ 3.68Å; E20-K24 PolarHBondContact OE2-NZ 2.92Å |
| 21 | E | 93.9 | Very high | 91.1 | Very high | 66 Ų | 66 | 61.8 Ų | 61.8 | 31% | 0.308 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.3 | -40.9 | 176.5 | -167.1 | 56.8 | -146.8 | 0 | 0 | 111.2 | H19 K24 G25 S26 I131 | H19-E21 VanDerWaalsContact C-N 3.28Å; H19-E21 VanDerWaalsContact ND1-CB 3.34Å; H19-E21 WeakPolarHBondContact ND1-CB 3.33Å; H19-E21 PolarHBondContact ND1-N 2.97Å; H19-E21 PolarHBondContact O-N 3.37Å; E21-K24 PolarHBondContact O-N 3.1Å; E21-G25 PolarHBondContact O-N 3.02Å; E21-S26 WeakPolarHBondContact CG-OG 3.48Å; E21-S26 PolarHBondContact OE1-OG 2.72Å; E21-I131 HydrophobicContact CB-CG2 4.37Å |
| 22 | L | 96.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68.3 | -36.5 | 178.5 | -84.9 | 59.1 | 0 | 0 | 0 | 111.9 | V18 H19 E20 V47 I131 W132 E135 L139 | V18-L22 HydrophobicContact CG1-CB 3.87Å; H19-L22 HydrophobicContact CB-CD1 4.37Å; H19-L22 WeakPolarHBondContact O-CB 3.44Å; H19-L22 PolarHBondContact O-N 3.18Å; H19-L22 VanDerWaalsContact O-N 3.07Å; E20-L22 VanDerWaalsContact C-N 3.34Å; L22-V47 HydrophobicContact CB-CB 4.19Å; L22-V47 HydrophobicContact CB-CG2 4.06Å; L22-V47 HydrophobicContact CD2-CG2 4.12Å; L22-V47 HydrophobicContact CG-CG2 4.19Å; L22-V47 PolarHBondContact O-N 3.37Å; L22-I131 HydrophobicContact CD1-CG2 4.06Å; L22-W132 HydrophobicContact CB-CH2 4.21Å; L22-W132 HydrophobicContact CB-CZ2 4.28Å; L22-W132 HydrophobicContact CD1-CD2 3.75Å; L22-W132 HydrophobicContact CD1-CE3 4.16Å; L22-W132 HydrophobicContact CD1-CG 4.05Å; L22-W132 HydrophobicContact CD1-CZ2 4.2Å; L22-W132 HydrophobicContact CG-CD2 3.96Å; L22-W132 HydrophobicContact CG-CE3 3.88Å; L22-W132 HydrophobicContact CG-CH2 3.88Å; L22-W132 HydrophobicContact CG-CZ2 3.96Å; L22-W132 HydrophobicContact CG-CZ3 3.83Å; L22-E135 HydrophobicContact CD1-CB 4.29Å; L22-E135 HydrophobicContact CD2-CB 3.69Å; L22-L139 HydrophobicContact CD2-CD1 3.91Å |
| 23 | K | 94.1 | Very high | 90.9 | Very high | 58 Ų | 58 | 60.4 Ų | 60.4 | 25% | 0.252 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -70 | -39.3 | 174.8 | -63.3 | -178.8 | -157.2 | 152.9 | 0 | 113.1 | V18 H19 E20 K46 | V18-K23 HydrophobicContact CB-CG 4.14Å; V18-K23 HydrophobicContact CG1-CG 3.77Å; V18-K23 WeakPolarHBondContact O-CE 3.46Å; V18-K23 PolarHBondContact O-NZ 3.32Å; H19-K23 PolarHBondContact O-N 2.78Å; H19-K23 VanDerWaalsContact O-N 3.15Å; E20-K23 PolarHBondContact O-N 2.79Å; E20-K23 WeakPolarHBondContact OE1-CD 3.3Å; E20-K23 IonicContact OE1-NZ 3.06Å; E20-K23 PolarHBondContact OE1-NZ 3.47Å; K23-K46 WeakPolarHBondContact O-CD 3.37Å; K23-K46 WeakPolarHBondContact O-CE 3.33Å; K23-K46 PolarHBondContact O-NZ 2.88Å |
| 24 | K | 93.8 | Very high | 89.9 | Confident | 136 Ų | 136 | 66.7 Ų | 66.7 | 59% | 0.591 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -70.2 | -41.4 | 177.9 | -73.9 | 162.7 | -170.2 | 155.1 | 0 | 110.2 | E20 E21 | E20-K24 WeakPolarHBondContact O-CD 3.39Å; E20-K24 WeakPolarHBondContact O-CG 3.48Å; E20-K24 PolarHBondContact O-N 3.07Å; E20-K24 VanDerWaalsContact OE2-CE 3.24Å; E20-K24 WeakPolarHBondContact OE2-CE 3.49Å; E20-K24 IonicContact OE2-NZ 3.68Å; E20-K24 PolarHBondContact OE2-NZ 2.92Å; E21-K24 PolarHBondContact O-N 3.1Å |
| 25 | G | 94 | Very high | 88.6 | Confident | 18 Ų | 18 | 61.6 Ų | 61.6 | 19% | 0.186 | 31% | 0.311 | C | S | . | . | trans | 91 | 133.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | E21 L45 | E21-G25 PolarHBondContact O-N 3.02Å; G25-L45 CarbonylContact C-O 3.58Å; G25-L45 WeakPolarHBondContact CA-O 3.24Å | ||
| 26 | S | 95.4 | Very high | 87.1 | Confident | 8 Ų | 8 | 60.2 Ų | 60.2 | 6% | 0.056 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 157.5 | -175.8 | -40.6 | 0 | 0 | 0 | 0 | 110.3 | E21 L45 W132 | E21-S26 WeakPolarHBondContact CG-OG 3.48Å; E21-S26 PolarHBondContact OE1-OG 2.72Å; S26-L45 PolarHBondContact N-O 2.99Å; S26-L45 PolarHBondContact O-N 3.03Å; S26-W132 PolarHBondContact OG-NE1 3.02Å |
| 27 | K | 94.4 | Very high | 85.6 | Confident | 116 Ų | 116 | 65.5 Ų | 65.5 | 50% | 0.504 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 131.7 | -176.7 | -66.7 | -176.6 | -178.1 | 179.2 | 0 | 111.4 | L42 G43 L124 | K27-L42 HydrophobicContact CB-CD1 4.33Å; K27-G43 WeakPolarHBondContact CA-O 3.48Å; K27-L124 HydrophobicContact CB-CD1 3.97Å |
| 28 | F | 94.1 | Very high | 84.4 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 156.6 | 175.2 | -67.7 | -94.3 | 0 | 0 | 0 | 110 | G43 L45 W56 L105 L121 L122 T128 W132 | F28-G43 PolarHBondContact N-O 2.94Å; F28-G43 PolarHBondContact O-N 2.92Å; F28-L45 HydrophobicContact CD2-CB 3.81Å; F28-L45 HydrophobicContact CD2-CD2 4.2Å; F28-L45 HydrophobicContact CE2-CB 4.16Å; F28-L45 HydrophobicContact CE2-CD2 4.13Å; F28-W56 HydrophobicContact CB-CZ3 4.16Å; F28-W56 WeakPolarHBondContact O-CH2 3.43Å; F28-L105 HydrophobicContact CE1-CD2 4.01Å; F28-L105 HydrophobicContact CZ-CD2 4.23Å; F28-L121 HydrophobicContact CB-CB 4.34Å; F28-L121 HydrophobicContact CB-CD2 4.17Å; F28-L121 HydrophobicContact CD1-CB 4.1Å; F28-L121 HydrophobicContact CG-CB 4.48Å; F28-L122 WeakPolarHBondContact CA-O 3.16Å; F28-T128 HydrophobicContact CZ-CG2 4.16Å; F28-W132 AromaticContact CE2-CD1 3.91Å; F28-W132 AromaticContact CE2-CD2 3.97Å; F28-W132 HydrophobicContact CE2-CD2 3.97Å; F28-W132 AromaticContact CE2-CE2 3.97Å; F28-W132 AromaticContact CE2-CG 3.9Å; F28-W132 HydrophobicContact CE2-CG 3.9Å; F28-W132 AromaticContact CE2-NE1 3.92Å; F28-W132 HydrophobicContact CZ-CB 3.82Å; F28-W132 AromaticContact CZ-CD1 3.67Å; F28-W132 HydrophobicContact CZ-CD2 4.12Å; F28-W132 AromaticContact CZ-CG 3.58Å; F28-W132 HydrophobicContact CZ-CG 3.58Å |
| 29 | I | 92.2 | Very high | 83.5 | Confident | 45 Ų | 45 | 64.7 Ų | 64.7 | 23% | 0.231 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 124.1 | 168.4 | -59.3 | 171.7 | 0 | 0 | 0 | 107.7 | W31 P40 V41 L42 L93 L121 L122 | I29-W31 WeakPolarHBondContact O-CZ3 3.36Å; I29-P40 HydrophobicContact CG2-CB 3.43Å; I29-P40 VanDerWaalsContact CG2-CB 3.43Å; I29-V41 WeakPolarHBondContact CA-O 3.33Å; I29-L42 HydrophobicContact CG1-CD1 3.84Å; I29-L93 HydrophobicContact CG2-CD2 3.89Å; I29-L121 CarbonylContact O-C 3.46Å; I29-L121 WeakPolarHBondContact O-CA 3.47Å; I29-L122 HydrophobicContact CB-CB 4.41Å; I29-L122 PolarHBondContact N-O 3.28Å; I29-L122 PolarHBondContact O-N 3.39Å |
| 30 | R | 91.6 | Very high | 83.1 | Confident | 34 Ų | 34 | 63.2 Ų | 63.2 | 13% | 0.128 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 146.2 | 176.4 | -179.1 | 174.1 | 171.3 | 170.6 | -3.2 | 111.1 | P40 V41 W56 E65 I119 C120 L121 | R30-P40 CarbonylContact O-C 3.59Å; R30-P40 VanDerWaalsContact O-CA 3.3Å; R30-P40 WeakPolarHBondContact O-CA 3.31Å; R30-V41 PolarHBondContact N-O 3.13Å; R30-V41 PolarHBondContact O-N 2.96Å; R30-W56 HydrophobicContact CB-CH2 3.63Å; R30-W56 HydrophobicContact CB-CZ2 3.45Å; R30-W56 VanDerWaalsContact CB-CZ2 3.45Å; R30-W56 HydrophobicContact CG-CZ2 4.35Å; R30-W56 VanDerWaalsContact NH1-CD1 3.31Å; R30-E65 IonicContact CZ-OE1 2.93Å; R30-E65 IonicContact CZ-OE2 2.99Å; R30-E65 VanDerWaalsContact NH1-CD 3.28Å; R30-E65 IonicContact NH1-OE1 3.26Å; R30-E65 PolarHBondContact NH1-OE1 3.49Å; R30-E65 IonicContact NH1-OE2 2.74Å; R30-E65 PolarHBondContact NH1-OE2 3.26Å; R30-E65 IonicContact NH2-OE1 3.2Å; R30-E65 PolarHBondContact NH2-OE1 2.8Å; R30-E65 IonicContact NH2-OE2 3.98Å; R30-E65 PolarHBondContact NH2-OE2 3.47Å; R30-I119 HydrophobicContact CG-CG2 4.36Å; R30-C120 WeakPolarHBondContact CA-O 3.42Å; R30-L121 HydrophobicContact CB-CD2 3.73Å; R30-L121 HydrophobicContact CG-CD2 4.11Å |
| 31 | W | 89 | Confident | 82.8 | Confident | 11 Ų | 11 | 61.5 Ų | 61.5 | 4% | 0.042 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 170.6 | 168.7 | 62.8 | 90.6 | 0 | 0 | 0 | 111.4 | I29 L89 L93 L104 C120 L121 L122 | I29-W31 WeakPolarHBondContact O-CZ3 3.36Å; W31-L89 HydrophobicContact CB-CD1 3.86Å; W31-L89 HydrophobicContact CB-CD2 4.22Å; W31-L89 HydrophobicContact CG-CD1 4.31Å; W31-L89 HydrophobicContact CG-CD2 4.03Å; W31-L93 HydrophobicContact CD2-CD1 3.91Å; W31-L93 HydrophobicContact CE3-CD1 3.93Å; W31-L93 HydrophobicContact CE3-CD2 4.12Å; W31-L93 HydrophobicContact CG-CD1 4.3Å; W31-L93 HydrophobicContact CZ3-CD1 4.41Å; W31-L104 HydrophobicContact CH2-CD2 3.55Å; W31-L104 HydrophobicContact CZ2-CD2 3.98Å; W31-C120 HydrophobicContact CD2-CB 4.03Å; W31-C120 VanDerWaalsContact CE2-CB 3.41Å; W31-C120 HydrophobicContact CG-CB 4.42Å; W31-C120 HydrophobicContact CH2-CB 4.28Å; W31-C120 HydrophobicContact CZ2-CB 3.58Å; W31-C120 PolarHBondContact N-O 2.93Å; W31-L121 VanDerWaalsContact CH2-C 3.42Å; W31-L121 WeakPolarHBondContact CH2-O 3.15Å; W31-L122 HydrophobicContact CH2-CB 4.03Å; W31-L122 HydrophobicContact CZ3-CB 3.54Å |
| 32 | E | 84.3 | Confident | 82.7 | Confident | 115 Ų | 115 | 62.4 Ų | 62.4 | 54% | 0.537 | 34% | 0.335 | S | S | . | . | trans | -122.7 | 139 | 176.9 | -64.4 | 176.8 | 165.2 | 0 | 0 | 108.6 | ||||
| 33 | E | 71.1 | Confident | 82.4 | Confident | 54 Ų | 54 | 62.6 Ų | 62.6 | 25% | 0.252 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -80.1 | -33.1 | -172.6 | -157.1 | 175.5 | 168.5 | 0 | 0 | 112 | K82 K85 | E33-K82 IonicContact OE2-NZ 4Å; E33-K82 PolarHBondContact OE2-NZ 3.36Å; E33-K85 WeakPolarHBondContact OE1-CD 3.48Å; E33-K85 VanDerWaalsContact OE1-CE 3.3Å; E33-K85 WeakPolarHBondContact OE1-CE 3.2Å; E33-K85 IonicContact OE1-NZ 3.16Å; E33-K85 PolarHBondContact OE1-NZ 3.39Å |
| 34 | D | 65.3 | Low | 82.4 | Confident | 166 Ų | 166 | 62 Ų | 62 | 89% | 0.888 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -89.6 | -2 | -169.1 | -55.1 | -62.4 | 0 | 0 | 0 | 114.9 | ||
| 35 | S | 59.1 | Low | 82.4 | Confident | 48 Ų | 48 | 55.6 Ų | 55.6 | 34% | 0.336 | 31% | 0.311 | S | S | . | . | trans | -118.1 | 100.4 | -176.2 | 179.8 | 0 | 0 | 0 | 0 | 111.7 | N37 S38 | S35-N37 PolarHBondContact O-N 3.09Å; S35-N37 VanDerWaalsContact O-N 3.1Å; S35-S38 VanDerWaalsContact O-CB 3.25Å; S35-S38 WeakPolarHBondContact O-CB 3.28Å; S35-S38 PolarHBondContact O-N 3.03Å; S35-S38 PolarHBondContact O-OG 3.39Å; S35-S38 PolarHBondContact OG-N 3.33Å | ||
| 36 | A | 55 | Low | 82.5 | Confident | 62 Ų | 62 | 58.9 Ų | 58.9 | 51% | 0.512 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -15.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 37 | N | 57.2 | Low | 82.6 | Confident | 146 Ų | 146 | 58.5 Ų | 58.5 | 78% | 0.781 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.5 | 1.6 | 173.6 | -77.3 | -15 | 0 | 0 | 0 | 113.4 | S35 | S35-N37 PolarHBondContact O-N 3.09Å; S35-N37 VanDerWaalsContact O-N 3.1Å |
| 38 | S | 65.9 | Low | 82.6 | Confident | 14 Ų | 14 | 53.8 Ų | 53.8 | 10% | 0.098 | 30% | 0.297 | C | S | . | . | trans | -57.7 | 143.5 | 176 | 63.7 | 0 | 0 | 0 | 0 | 111.6 | S35 K92 | S35-S38 VanDerWaalsContact O-CB 3.25Å; S35-S38 WeakPolarHBondContact O-CB 3.28Å; S35-S38 PolarHBondContact O-N 3.03Å; S35-S38 PolarHBondContact O-OG 3.39Å; S35-S38 PolarHBondContact OG-N 3.33Å; S38-K92 PolarHBondContact O-NZ 3.48Å | ||
| 39 | T | 77.1 | Confident | 82.5 | Confident | 104 Ų | 104 | 61.4 Ų | 61.4 | 64% | 0.638 | 33% | 0.333 | S | S | * | . | trans | -111.3 | 127.2 | 170.5 | 36.4 | 0 | 0 | 0 | 0 | 107.9 | V41 | T39-V41 WeakPolarHBondContact O-CG2 3.22Å; T39-V41 PolarHBondContact O-N 2.85Å | ||
| 40 | P | 86.4 | Confident | 82.5 | Confident | 36 Ų | 36 | 61.8 Ų | 61.8 | 23% | 0.234 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -57.6 | 125.1 | 177.8 | -26.4 | 34.4 | 0 | 0 | 0 | 111.6 | I29 R30 L89 K92 L93 | I29-P40 HydrophobicContact CG2-CB 3.43Å; I29-P40 VanDerWaalsContact CG2-CB 3.43Å; R30-P40 CarbonylContact O-C 3.59Å; R30-P40 VanDerWaalsContact O-CA 3.3Å; R30-P40 WeakPolarHBondContact O-CA 3.31Å; P40-L89 HydrophobicContact CG-CD1 3.78Å; P40-K92 HydrophobicContact CG-CB 4.12Å; P40-L93 HydrophobicContact CB-CD2 3.74Å; P40-L93 HydrophobicContact CG-CD2 3.73Å; P40-L93 HydrophobicContact CG-CG 3.99Å |
| 41 | V | 89 | Confident | 82.7 | Confident | 55 Ų | 55 | 60.1 Ų | 60.1 | 33% | 0.333 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 116.6 | -174.3 | -177.3 | 0 | 0 | 0 | 0 | 109.4 | I29 R30 T39 G43 W56 A58 | I29-V41 WeakPolarHBondContact CA-O 3.33Å; R30-V41 PolarHBondContact N-O 3.13Å; R30-V41 PolarHBondContact O-N 2.96Å; T39-V41 WeakPolarHBondContact O-CG2 3.22Å; T39-V41 PolarHBondContact O-N 2.85Å; V41-G43 PolarHBondContact O-N 3.3Å; V41-W56 HydrophobicContact CG1-CZ2 4.48Å; V41-A58 HydrophobicContact CG1-CB 3.85Å |
| 42 | L | 91 | Very high | 83 | Confident | 85 Ų | 85 | 59.7 Ų | 59.7 | 45% | 0.445 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 123.6 | 166.1 | -176.6 | 70.4 | 0 | 0 | 0 | 108.8 | K27 I29 G59 | K27-L42 HydrophobicContact CB-CD1 4.33Å; I29-L42 HydrophobicContact CG1-CD1 3.84Å; L42-G59 WeakPolarHBondContact O-CA 3.43Å; L42-G59 PolarHBondContact O-N 3.29Å |
| 43 | G | 91.6 | Very high | 83.6 | Confident | 3 Ų | 3 | 54.2 Ų | 54.2 | 3% | 0.031 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 173.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | K27 F28 V41 W56 I57 | K27-G43 WeakPolarHBondContact CA-O 3.48Å; F28-G43 PolarHBondContact N-O 2.94Å; F28-G43 PolarHBondContact O-N 2.92Å; V41-G43 PolarHBondContact O-N 3.3Å; G43-W56 VanDerWaalsContact CA-CH2 3.41Å; G43-I57 CarbonylContact C-O 3.53Å; G43-I57 WeakPolarHBondContact CA-O 3.45Å |
| 44 | T | 92.9 | Very high | 84.8 | Confident | 45 Ų | 45 | 51.6 Ų | 51.6 | 28% | 0.276 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 127.5 | 171 | -50 | 0 | 0 | 0 | 0 | 108.5 | I57 | T44-I57 PolarHBondContact N-O 3.2Å; T44-I57 PolarHBondContact O-N 3.32Å |
| 45 | L | 95 | Very high | 86.1 | Confident | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.016 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 133.3 | 173.6 | -166.2 | 70.5 | 0 | 0 | 0 | 108.1 | G25 S26 F28 L54 W56 I107 L121 W132 | G25-L45 CarbonylContact C-O 3.58Å; G25-L45 WeakPolarHBondContact CA-O 3.24Å; S26-L45 PolarHBondContact N-O 2.99Å; S26-L45 PolarHBondContact O-N 3.03Å; F28-L45 HydrophobicContact CD2-CB 3.81Å; F28-L45 HydrophobicContact CD2-CD2 4.2Å; F28-L45 HydrophobicContact CE2-CB 4.16Å; F28-L45 HydrophobicContact CE2-CD2 4.13Å; L45-L54 HydrophobicContact CD1-CD1 3.77Å; L45-L54 HydrophobicContact CD1-CD2 4.25Å; L45-L54 HydrophobicContact CD1-CG 3.96Å; L45-L54 HydrophobicContact CD2-CD1 4.12Å; L45-L54 HydrophobicContact CG-CD1 3.75Å; L45-L54 HydrophobicContact CG-CG 4.49Å; L45-W56 HydrophobicContact CB-CE3 4.23Å; L45-W56 HydrophobicContact CD1-CB 4.25Å; L45-W56 HydrophobicContact CD1-CE3 3.99Å; L45-I107 HydrophobicContact CD2-CD1 4.17Å; L45-L121 HydrophobicContact CD2-CD1 3.84Å; L45-W132 HydrophobicContact CB-CH2 4.08Å; L45-W132 HydrophobicContact CB-CZ2 4.43Å; L45-W132 HydrophobicContact CB-CZ3 4.33Å; L45-W132 HydrophobicContact CD2-CD2 4.3Å; L45-W132 HydrophobicContact CD2-CE3 3.6Å; L45-W132 HydrophobicContact CD2-CH2 4.1Å; L45-W132 HydrophobicContact CD2-CZ3 3.49Å; L45-W132 VanDerWaalsContact CD2-CZ3 3.49Å; L45-W132 HydrophobicContact CG-CE3 4.26Å; L45-W132 HydrophobicContact CG-CH2 3.84Å; L45-W132 HydrophobicContact CG-CZ3 3.64Å; L45-W132 VanDerWaalsContact O-CH2 3.32Å; L45-W132 WeakPolarHBondContact O-CH2 3.47Å; L45-W132 VanDerWaalsContact O-CZ2 3.24Å; L45-W132 WeakPolarHBondContact O-CZ2 3.18Å |
| 46 | K | 95.1 | Very high | 87.7 | Confident | 86 Ų | 86 | 42.4 Ų | 42.4 | 37% | 0.374 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 147.1 | -176.2 | 172 | 166.6 | 169.4 | 137.7 | 0 | 111 | K23 T55 | K23-K46 WeakPolarHBondContact O-CD 3.37Å; K23-K46 WeakPolarHBondContact O-CE 3.33Å; K23-K46 PolarHBondContact O-NZ 2.88Å; K46-T55 PolarHBondContact N-O 3.3Å; K46-T55 PolarHBondContact O-N 2.75Å; K46-T55 PolarHBondContact O-OG1 3.31Å |
| 47 | V | 96.6 | Very high | 89.3 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 146.1 | 169.7 | -175.3 | 0 | 0 | 0 | 0 | 109.3 | V18 L22 Y53 L54 M69 W132 L136 L139 | V18-V47 HydrophobicContact CG1-CB 4.08Å; V18-V47 HydrophobicContact CG1-CG1 4.01Å; V18-V47 HydrophobicContact CG2-CG1 4.39Å; L22-V47 HydrophobicContact CB-CB 4.19Å; L22-V47 HydrophobicContact CB-CG2 4.06Å; L22-V47 HydrophobicContact CD2-CG2 4.12Å; L22-V47 HydrophobicContact CG-CG2 4.19Å; L22-V47 PolarHBondContact O-N 3.37Å; V47-Y53 WeakPolarHBondContact CA-O 3.42Å; V47-L54 HydrophobicContact CG2-CD1 3.78Å; V47-M69 HydrophobicContact CG1-CE 3.65Å; V47-M69 HydrophobicContact CG2-CE 4.21Å; V47-W132 HydrophobicContact CG2-CH2 4.13Å; V47-W132 HydrophobicContact CG2-CZ3 3.94Å; V47-L136 HydrophobicContact CG2-CD1 4.45Å; V47-L139 HydrophobicContact CG1-CD1 4.32Å |
| 48 | D | 94.8 | Very high | 90.6 | Very high | 16 Ų | 16 | 36.4 Ų | 36.4 | 9% | 0.086 | 20% | 0.196 | C | C | . | . | trans | -73.2 | 161.1 | 173.9 | 86.2 | -85.3 | 0 | 0 | 0 | 112.5 | N50 G51 F52 Y53 T159 | D48-N50 PolarHBondContact O-N 3.12Å; D48-N50 WeakPolarHBondContact OD2-CB 3.26Å; D48-N50 PolarHBondContact OD2-N 3Å; D48-G51 PolarHBondContact O-N 3.28Å; D48-F52 WeakPolarHBondContact OD1-CA 3.49Å; D48-F52 WeakPolarHBondContact OD1-CB 3.27Å; D48-F52 PolarHBondContact OD1-N 3.01Å; D48-Y53 PolarHBondContact N-O 2.72Å; D48-Y53 PolarHBondContact OD1-N 3.36Å; D48-T159 HydrophobicContact CB-CG2 4.14Å | ||
| 49 | E | 92.4 | Very high | 90.7 | Very high | 161 Ų | 161 | 38.7 Ų | 38.7 | 75% | 0.752 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -22 | -173.7 | -62.5 | 178 | 170.5 | 0 | 0 | 114.7 | ||
| 50 | N | 92.4 | Very high | 90.1 | Very high | 52 Ų | 52 | 37.8 Ų | 37.8 | 28% | 0.278 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -6.3 | 179.5 | -75.3 | -87.9 | 0 | 0 | 0 | 114.2 | V16 D48 F52 R152 | V16-N50 WeakPolarHBondContact CG1-O 3.47Å; D48-N50 PolarHBondContact O-N 3.12Å; D48-N50 WeakPolarHBondContact OD2-CB 3.26Å; D48-N50 PolarHBondContact OD2-N 3Å; N50-F52 HydrophobicContact CB-CD1 4.2Å; N50-F52 HydrophobicContact CB-CD2 3.5Å; N50-F52 VanDerWaalsContact CB-CD2 3.5Å; N50-F52 HydrophobicContact CB-CE1 4.07Å; N50-F52 HydrophobicContact CB-CE2 3.35Å; N50-F52 HydrophobicContact CB-CG 3.94Å; N50-F52 HydrophobicContact CB-CZ 3.67Å; N50-R152 PolarHBondContact O-NH2 2.93Å; N50-R152 PolarHBondContact OD1-NH1 3.03Å; N50-R152 PolarHBondContact OD1-NH2 2.78Å; N50-R152 VanDerWaalsContact OD1-NH2 3.13Å |
| 51 | G | 94.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | S | Bend | trans | 70.9 | 30.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | D48 M69 | D48-G51 PolarHBondContact O-N 3.28Å; G51-M69 WeakPolarHBondContact O-CG 3.3Å |
| 52 | F | 95.8 | Very high | 87.3 | Confident | 1 Ų | 1 | 47 Ų | 47 | 0% | 0.004 | 27% | 0.27 | C | S | . | . | trans | -90.2 | -33.9 | -179.3 | -64.7 | -35.7 | 0 | 0 | 0 | 113.8 | D48 N50 M69 R152 Q155 K156 T159 | D48-F52 WeakPolarHBondContact OD1-CA 3.49Å; D48-F52 WeakPolarHBondContact OD1-CB 3.27Å; D48-F52 PolarHBondContact OD1-N 3.01Å; N50-F52 HydrophobicContact CB-CD1 4.2Å; N50-F52 HydrophobicContact CB-CD2 3.5Å; N50-F52 VanDerWaalsContact CB-CD2 3.5Å; N50-F52 HydrophobicContact CB-CE1 4.07Å; N50-F52 HydrophobicContact CB-CE2 3.35Å; N50-F52 HydrophobicContact CB-CG 3.94Å; N50-F52 HydrophobicContact CB-CZ 3.67Å; F52-M69 VanDerWaalsContact O-CB 3.23Å; F52-M69 WeakPolarHBondContact O-CB 3.38Å; F52-M69 PolarHBondContact O-N 2.88Å; F52-R152 HydrophobicContact CE1-CG 3.76Å; F52-R152 HydrophobicContact CZ-CG 3.72Å; F52-Q155 HydrophobicContact CE2-CB 4Å; F52-Q155 HydrophobicContact CZ-CB 4.03Å; F52-K156 HydrophobicContact CB-CD 3.98Å; F52-K156 HydrophobicContact CB-CG 3.84Å; F52-K156 HydrophobicContact CD1-CB 4.05Å; F52-K156 HydrophobicContact CD1-CD 3.86Å; F52-K156 HydrophobicContact CD1-CG 4.04Å; F52-K156 HydrophobicContact CD2-CB 3.93Å; F52-K156 HydrophobicContact CD2-CG 4.09Å; F52-K156 HydrophobicContact CE1-CB 4.12Å; F52-K156 HydrophobicContact CE2-CB 4Å; F52-K156 HydrophobicContact CG-CB 3.95Å; F52-K156 HydrophobicContact CG-CD 3.98Å; F52-K156 HydrophobicContact CG-CG 3.75Å; F52-K156 HydrophobicContact CZ-CB 4.09Å; F52-K156 WeakPolarHBondContact O-CE 3.44Å; F52-T159 HydrophobicContact CD2-CG2 4.28Å | ||
| 53 | Y | 96.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 133.7 | -168.3 | -73.7 | -66.2 | 0 | 0 | 0 | 112 | V47 D48 I66 I67 D68 K156 T159 K160 L163 | V47-Y53 WeakPolarHBondContact CA-O 3.42Å; D48-Y53 PolarHBondContact N-O 2.72Å; D48-Y53 PolarHBondContact OD1-N 3.36Å; Y53-I66 HydrophobicContact CD1-CG2 3.39Å; Y53-I66 HydrophobicContact CE1-CG2 4.1Å; Y53-I66 HydrophobicContact CG-CG2 3.85Å; Y53-I67 WeakPolarHBondContact CD1-O 3.19Å; Y53-D68 HydrophobicContact CD1-CB 4.34Å; Y53-D68 HydrophobicContact CE1-CB 3.75Å; Y53-D68 WeakPolarHBondContact CE1-OD2 3.36Å; Y53-D68 VanDerWaalsContact CZ-OD2 3.26Å; Y53-D68 PolarHBondContact OH-OD2 2.68Å; Y53-K156 HydrophobicContact CE2-CD 4.39Å; Y53-K156 HydrophobicContact CE2-CG 3.59Å; Y53-K156 VanDerWaalsContact OH-CE 3.22Å; Y53-K156 WeakPolarHBondContact OH-CE 3.4Å; Y53-T159 HydrophobicContact CD2-CG2 4.23Å; Y53-K160 HydrophobicContact CE1-CD 4.38Å; Y53-K160 HydrophobicContact CE1-CG 4.48Å; Y53-K160 HydrophobicContact CE2-CB 3.72Å; Y53-K160 HydrophobicContact CE2-CG 4.18Å; Y53-L163 HydrophobicContact CD2-CD1 3.92Å; Y53-L163 HydrophobicContact CG-CD1 3.86Å |
| 54 | L | 96.2 | Very high | 85.5 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 128.9 | 165.8 | 178.2 | 71.1 | 0 | 0 | 0 | 107.8 | L45 V47 I67 I72 I107 W132 L136 | L45-L54 HydrophobicContact CD1-CD1 3.77Å; L45-L54 HydrophobicContact CD1-CD2 4.25Å; L45-L54 HydrophobicContact CD1-CG 3.96Å; L45-L54 HydrophobicContact CD2-CD1 4.12Å; L45-L54 HydrophobicContact CG-CD1 3.75Å; L45-L54 HydrophobicContact CG-CG 4.49Å; V47-L54 HydrophobicContact CG2-CD1 3.78Å; L54-I67 HydrophobicContact CB-CB 4.23Å; L54-I67 HydrophobicContact CD2-CD1 4.07Å; L54-I67 HydrophobicContact CG-CD1 4.36Å; L54-I67 PolarHBondContact N-O 3.3Å; L54-I67 PolarHBondContact O-N 3.48Å; L54-I72 HydrophobicContact CB-CD1 4.42Å; L54-I72 HydrophobicContact CD2-CD1 3.91Å; L54-I107 HydrophobicContact CD2-CD1 3.81Å; L54-W132 HydrophobicContact CD1-CH2 4.43Å; L54-W132 HydrophobicContact CD1-CZ3 3.72Å; L54-L136 HydrophobicContact CD1-CD1 4.19Å; L54-L136 HydrophobicContact CD2-CD1 4.47Å; L54-L136 HydrophobicContact CD2-CD2 4.17Å |
| 55 | T | 93.9 | Very high | 85.4 | Confident | 8 Ų | 8 | 52.8 Ų | 52.8 | 5% | 0.049 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 134.8 | -177.8 | 61.1 | 0 | 0 | 0 | 0 | 111.6 | K46 T64 E65 I66 L163 | K46-T55 PolarHBondContact N-O 3.3Å; K46-T55 PolarHBondContact O-N 2.75Å; K46-T55 PolarHBondContact O-OG1 3.31Å; T55-T64 HydrophobicContact CG2-CG2 4.29Å; T55-E65 CarbonylContact C-O 3.58Å; T55-E65 VanDerWaalsContact CA-O 3.29Å; T55-E65 WeakPolarHBondContact CA-O 3.43Å; T55-I66 HydrophobicContact CG2-CG1 4.37Å; T55-L163 HydrophobicContact CG2-CD1 3.93Å; T55-L163 HydrophobicContact CG2-CD2 4.14Å |
| 56 | W | 91.6 | Very high | 85.2 | Confident | 12 Ų | 12 | 54.4 Ų | 54.4 | 5% | 0.045 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 126.7 | 175.6 | 170.3 | -103.5 | 0 | 0 | 0 | 110.4 | F28 R30 V41 G43 L45 E65 L121 | F28-W56 HydrophobicContact CB-CZ3 4.16Å; F28-W56 WeakPolarHBondContact O-CH2 3.43Å; R30-W56 HydrophobicContact CB-CH2 3.63Å; R30-W56 HydrophobicContact CB-CZ2 3.45Å; R30-W56 VanDerWaalsContact CB-CZ2 3.45Å; R30-W56 HydrophobicContact CG-CZ2 4.35Å; R30-W56 VanDerWaalsContact NH1-CD1 3.31Å; V41-W56 HydrophobicContact CG1-CZ2 4.48Å; G43-W56 VanDerWaalsContact CA-CH2 3.41Å; L45-W56 HydrophobicContact CB-CE3 4.23Å; L45-W56 HydrophobicContact CD1-CB 4.25Å; L45-W56 HydrophobicContact CD1-CE3 3.99Å; W56-E65 HydrophobicContact CB-CB 4.27Å; W56-E65 PolarHBondContact N-O 3.15Å; W56-E65 PolarHBondContact O-N 2.93Å; W56-L121 HydrophobicContact CH2-CD2 4.29Å; W56-L121 HydrophobicContact CZ3-CD2 4.07Å |
| 57 | I | 88.7 | Confident | 85.2 | Confident | 73 Ų | 73 | 50.7 Ų | 50.7 | 37% | 0.374 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 103.6 | -179.3 | -55.6 | 174.4 | 0 | 0 | 0 | 108.1 | G43 T44 T64 | G43-I57 CarbonylContact C-O 3.53Å; G43-I57 WeakPolarHBondContact CA-O 3.45Å; T44-I57 PolarHBondContact N-O 3.2Å; T44-I57 PolarHBondContact O-N 3.32Å; I57-T64 HydrophobicContact CG1-CG2 4.01Å |
| 58 | A | 85 | Confident | 85.1 | Confident | 9 Ų | 9 | 51.9 Ų | 51.9 | 7% | 0.074 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 137.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V41 G60 Q61 | V41-A58 HydrophobicContact CG1-CB 3.85Å; A58-G60 PolarHBondContact O-N 3.2Å; A58-Q61 HydrophobicContact CB-CB 4.25Å; A58-Q61 PolarHBondContact O-N 2.95Å |
| 59 | G | 68.8 | Low | 85.1 | Confident | 62 Ų | 62 | 51.1 Ų | 51.1 | 64% | 0.639 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | 106.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L42 | L42-G59 WeakPolarHBondContact O-CA 3.43Å; L42-G59 PolarHBondContact O-N 3.29Å |
| 60 | G | 62.8 | Low | 85.2 | Confident | 85 Ų | 85 | 44 Ų | 44 | 88% | 0.876 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.1 | 2.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | A58 | A58-G60 PolarHBondContact O-N 3.2Š|
| 61 | Q | 58.6 | Low | 85.3 | Confident | 138 Ų | 138 | 42.9 Ų | 42.9 | 65% | 0.645 | 25% | 0.254 | S | S | * | . | trans | -104.2 | 158.2 | 172.4 | -67.5 | -176.2 | -18.1 | 0 | 0 | 111.5 | A58 | A58-Q61 HydrophobicContact CB-CB 4.25Å; A58-Q61 PolarHBondContact O-N 2.95Å | ||
| 62 | Q | 57.9 | Low | 85.3 | Confident | 148 Ų | 148 | 43.4 Ų | 43.4 | 69% | 0.692 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -94.1 | -25.5 | -175.8 | -57.6 | -163.4 | -46.3 | 0 | 0 | 114 | L167 | Q62-L167 HydrophobicContact CB-CD1 3.92Å; Q62-L167 HydrophobicContact CB-CG 4.48Å; Q62-L167 HydrophobicContact CG-CD1 3.7Å |
| 63 | D | 65.9 | Low | 85.2 | Confident | 136 Ų | 136 | 44.3 Ų | 44.3 | 73% | 0.727 | 26% | 0.263 | S | S | * | . | P | Polyproline II helix | trans | -85.1 | 130.4 | -176.3 | -68.3 | -56.5 | 0 | 0 | 0 | 110.9 | ||
| 64 | T | 80.8 | Confident | 85.3 | Confident | 53 Ų | 53 | 44.3 Ų | 44.3 | 33% | 0.325 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 125.8 | 172.7 | -62.1 | 0 | 0 | 0 | 0 | 109.4 | T55 I57 I66 | T55-T64 HydrophobicContact CG2-CG2 4.29Å; I57-T64 HydrophobicContact CG1-CG2 4.01Å; T64-I66 HydrophobicContact CG2-CG1 4.36Å |
| 65 | E | 89.5 | Confident | 85.3 | Confident | 65 Ų | 65 | 44.6 Ų | 44.6 | 30% | 0.304 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 132 | 174.6 | -177 | -179.3 | 168 | 0 | 0 | 109.4 | R30 T55 W56 | R30-E65 IonicContact CZ-OE1 2.93Å; R30-E65 IonicContact CZ-OE2 2.99Å; R30-E65 VanDerWaalsContact NH1-CD 3.28Å; R30-E65 IonicContact NH1-OE1 3.26Å; R30-E65 PolarHBondContact NH1-OE1 3.49Å; R30-E65 IonicContact NH1-OE2 2.74Å; R30-E65 PolarHBondContact NH1-OE2 3.26Å; R30-E65 IonicContact NH2-OE1 3.2Å; R30-E65 PolarHBondContact NH2-OE1 2.8Å; R30-E65 IonicContact NH2-OE2 3.98Å; R30-E65 PolarHBondContact NH2-OE2 3.47Å; T55-E65 CarbonylContact C-O 3.58Å; T55-E65 VanDerWaalsContact CA-O 3.29Å; T55-E65 WeakPolarHBondContact CA-O 3.43Å; W56-E65 HydrophobicContact CB-CB 4.27Å; W56-E65 PolarHBondContact N-O 3.15Å; W56-E65 PolarHBondContact O-N 2.93Å |
| 66 | I | 91.9 | Very high | 85.4 | Confident | 37 Ų | 37 | 44.8 Ų | 44.8 | 19% | 0.19 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 111.5 | -171.5 | -56.4 | 164.7 | 0 | 0 | 0 | 109 | Y53 T55 T64 L163 | Y53-I66 HydrophobicContact CD1-CG2 3.39Å; Y53-I66 HydrophobicContact CE1-CG2 4.1Å; Y53-I66 HydrophobicContact CG-CG2 3.85Å; T55-I66 HydrophobicContact CG2-CG1 4.37Å; T64-I66 HydrophobicContact CG2-CG1 4.36Å; I66-L163 HydrophobicContact CD1-CB 3.7Å; I66-L163 HydrophobicContact CG1-CB 4.32Å; I66-L163 HydrophobicContact CG2-CD1 4.39Å |
| 67 | I | 94.2 | Very high | 85.5 | Confident | 8 Ų | 8 | 45.8 Ų | 45.8 | 4% | 0.041 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 130.5 | 178.3 | -59.9 | 131.8 | 0 | 0 | 0 | 108.3 | Y53 L54 I72 Y109 I119 | Y53-I67 WeakPolarHBondContact CD1-O 3.19Å; L54-I67 HydrophobicContact CB-CB 4.23Å; L54-I67 HydrophobicContact CD2-CD1 4.07Å; L54-I67 HydrophobicContact CG-CD1 4.36Å; L54-I67 PolarHBondContact N-O 3.3Å; L54-I67 PolarHBondContact O-N 3.48Å; I67-I72 HydrophobicContact CG2-CD1 4.34Å; I67-I72 HydrophobicContact CG2-CG1 4.12Å; I67-Y109 HydrophobicContact CG2-CD2 4.19Å; I67-Y109 HydrophobicContact CG2-CG 4.4Å; I67-I119 HydrophobicContact CD1-CD1 3.38Å; I67-I119 HydrophobicContact CG1-CD1 4.1Å |
| 68 | D | 94.8 | Very high | 85.4 | Confident | 25 Ų | 25 | 42.9 Ų | 42.9 | 13% | 0.134 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 124.8 | -178.9 | -163.4 | -60.4 | 0 | 0 | 0 | 110.3 | Y53 W70 T71 K156 K160 | Y53-D68 HydrophobicContact CD1-CB 4.34Å; Y53-D68 HydrophobicContact CE1-CB 3.75Å; Y53-D68 WeakPolarHBondContact CE1-OD2 3.36Å; Y53-D68 VanDerWaalsContact CZ-OD2 3.26Å; Y53-D68 PolarHBondContact OH-OD2 2.68Å; D68-W70 PolarHBondContact O-N 2.97Å; D68-W70 VanDerWaalsContact O-N 3.09Å; D68-W70 PolarHBondContact OD1-N 2.9Å; D68-T71 HydrophobicContact CB-CG2 4.26Å; D68-T71 PolarHBondContact O-N 3.14Å; D68-T71 PolarHBondContact O-OG1 3.33Å; D68-K156 WeakPolarHBondContact OD1-CE 3.49Å; D68-K156 IonicContact OD1-NZ 2.68Å; D68-K156 PolarHBondContact OD1-NZ 2.85Å; D68-K156 VanDerWaalsContact OD2-CE 3.31Å; D68-K156 WeakPolarHBondContact OD2-CE 3.33Å; D68-K156 IonicContact OD2-NZ 3.55Å; D68-K160 IonicContact OD2-NZ 3.54Å |
| 69 | M | 95.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | G | 310 helix | trans | -57.2 | -30 | -174.1 | -168.3 | 67.2 | 72.7 | 0 | 0 | 112.7 | V47 G51 F52 T71 I72 L136 L139 A140 | V47-M69 HydrophobicContact CG1-CE 3.65Å; V47-M69 HydrophobicContact CG2-CE 4.21Å; G51-M69 WeakPolarHBondContact O-CG 3.3Å; F52-M69 VanDerWaalsContact O-CB 3.23Å; F52-M69 WeakPolarHBondContact O-CB 3.38Å; F52-M69 PolarHBondContact O-N 2.88Å; M69-T71 VanDerWaalsContact C-N 3.25Å; M69-T71 PolarHBondContact O-N 3.24Å; M69-I72 PolarHBondContact O-N 3.42Å; M69-I72 HydrophobicContact SD-CD1 3.98Å; M69-L136 HydrophobicContact CE-CD1 3.78Å; M69-L136 HydrophobicContact SD-CD1 3.66Å; M69-L139 HydrophobicContact CE-CB 4.13Å; M69-L139 HydrophobicContact CE-CD1 4.24Å; M69-L139 HydrophobicContact CG-CB 4.34Å; M69-L139 HydrophobicContact SD-CB 3.93Å; M69-A140 HydrophobicContact SD-CB 4.34Å |
| 70 | W | 93.3 | Very high | 86.6 | Confident | 12 Ų | 12 | 50.5 Ų | 50.5 | 5% | 0.045 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -78.3 | -5.4 | 178.3 | -58.7 | -28.4 | 0 | 0 | 0 | 114.4 | D68 S145 H153 K156 Q801 P802 | D68-W70 PolarHBondContact O-N 2.97Å; D68-W70 VanDerWaalsContact O-N 3.09Å; D68-W70 PolarHBondContact OD1-N 2.9Å; W70-S145 PolarHBondContact NE1-OG 2.8Å; W70-H153 AromaticContact CH2-CD2 3.76Å; W70-H153 AromaticContact CH2-CE1 3.9Å; W70-H153 AromaticContact CH2-NE2 3.57Å; W70-K156 VanDerWaalsContact CE2-NZ 3.27Å; W70-K156 HydrophobicContact CE3-CD 4.3Å; W70-K156 HydrophobicContact CH2-CD 3.57Å; W70-K156 HydrophobicContact CZ2-CD 3.83Å; W70-K156 HydrophobicContact CZ3-CD 3.81Å; W70-Q801 PolarHBondContact O-NE2 3.43Å; W70-P802 HydrophobicContact CD2-CB 4.23Å; W70-P802 HydrophobicContact CD2-CG 3.92Å; W70-P802 HydrophobicContact CE3-CB 3.75Å; W70-P802 HydrophobicContact CE3-CG 3.95Å; W70-P802 HydrophobicContact CG-CG 4.37Å; W70-P802 HydrophobicContact CH2-CB 4.2Å; W70-P802 HydrophobicContact CZ3-CB 3.74Å; W70-P802 HydrophobicContact CZ3-CG 4.34Å |
| 71 | T | 94.5 | Very high | 87.9 | Confident | 28 Ų | 28 | 46.8 Ų | 46.8 | 17% | 0.172 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -96.9 | -9.6 | 172.8 | 61.1 | 0 | 0 | 0 | 0 | 113 | D68 M69 C73 Y109 G110 | D68-T71 HydrophobicContact CB-CG2 4.26Å; D68-T71 PolarHBondContact O-N 3.14Å; D68-T71 PolarHBondContact O-OG1 3.33Å; M69-T71 VanDerWaalsContact C-N 3.25Å; M69-T71 PolarHBondContact O-N 3.24Å; T71-C73 PolarHBondContact O-N 3.33Å; T71-Y109 CarbonylContact O-C 3.57Å; T71-Y109 WeakPolarHBondContact O-CA 3.41Å; T71-Y109 VanDerWaalsContact O-CB 3.3Å; T71-Y109 WeakPolarHBondContact O-CB 3.42Å; T71-G110 PolarHBondContact O-N 2.99Å |
| 72 | I | 95.8 | Very high | 89.4 | Confident | 11 Ų | 11 | 43.2 Ų | 43.2 | 6% | 0.056 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 123.6 | 173.6 | -61.3 | 176.9 | 0 | 0 | 0 | 108.2 | L54 I67 M69 T75 I107 L136 A140 | L54-I72 HydrophobicContact CB-CD1 4.42Å; L54-I72 HydrophobicContact CD2-CD1 3.91Å; I67-I72 HydrophobicContact CG2-CD1 4.34Å; I67-I72 HydrophobicContact CG2-CG1 4.12Å; M69-I72 PolarHBondContact O-N 3.42Å; M69-I72 HydrophobicContact SD-CD1 3.98Å; I72-T75 HydrophobicContact CG2-CG2 4.46Å; I72-I107 HydrophobicContact CD1-CG2 4.07Å; I72-I107 HydrophobicContact CG1-CG2 4.18Å; I72-I107 HydrophobicContact CG2-CG2 3.97Å; I72-L136 HydrophobicContact CD1-CD1 4.01Å; I72-L136 HydrophobicContact CD1-CD2 4.36Å; I72-L136 HydrophobicContact CD1-CG 4.27Å; I72-A140 HydrophobicContact CB-CB 3.89Å; I72-A140 HydrophobicContact CG2-CB 3.98Å |
| 73 | C | 93.9 | Very high | 90.8 | Very high | 20 Ų | 20 | 38.9 Ų | 38.9 | 14% | 0.135 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | -33.3 | -179.6 | -59 | 0 | 0 | 0 | 0 | 112.2 | T71 V108 Q352 | T71-C73 PolarHBondContact O-N 3.33Å; C73-V108 PolarHBondContact N-O 3.01Å; C73-Q352 VanDerWaalsContact CB-OE1 3.23Å |
| 74 | D | 97 | Very high | 91.8 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 156 | -173.1 | -159.8 | 8.6 | 0 | 0 | 0 | 112.4 | R76 V108 L355 K402 | D74-R76 IonicContact OD2-CZ 3.25Å; D74-R76 IonicContact OD2-NE 2.97Å; D74-R76 PolarHBondContact OD2-NE 3.48Å; D74-R76 IonicContact OD2-NH2 3.88Å; D74-R76 PolarHBondContact OD2-NH2 3.42Å; D74-V108 HydrophobicContact CB-CB 4Å; D74-V108 HydrophobicContact CB-CG2 4.1Å; D74-V108 PolarHBondContact N-O 2.92Å; D74-V108 PolarHBondContact O-N 2.96Å; D74-L355 HydrophobicContact CB-CD1 3.65Å; D74-K402 IonicContact OD1-NZ 2.82Å; D74-K402 PolarHBondContact OD1-NZ 2.97Å; D74-K402 IonicContact OD2-NZ 2.68Å; D74-K402 PolarHBondContact OD2-NZ 3.35Å |
| 75 | T | 97.1 | Very high | 92 | Very high | 6 Ų | 6 | 37 Ų | 37 | 4% | 0.037 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 141.1 | 168.4 | 57.4 | 0 | 0 | 0 | 0 | 109.8 | I72 T106 T133 L136 F137 K402 | I72-T75 HydrophobicContact CG2-CG2 4.46Å; T75-T106 CarbonylContact C-O 3.58Å; T75-T106 WeakPolarHBondContact CA-O 3.09Å; T75-T133 PolarHBondContact OG1-O 2.84Å; T75-L136 HydrophobicContact CG2-CB 4.2Å; T75-L136 HydrophobicContact CG2-CD2 3.95Å; T75-L136 HydrophobicContact CG2-CG 4.09Å; T75-F137 WeakPolarHBondContact OG1-CB 3Å; T75-K402 PolarHBondContact O-NZ 3.24Å; T75-K402 VanDerWaalsContact O-NZ 3.16Å |
| 76 | R | 95.8 | Very high | 91.8 | Very high | 12 Ų | 12 | 36.1 Ų | 36.1 | 5% | 0.045 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 139.8 | -174.2 | -50.7 | -174.2 | -175.2 | 148.5 | 11.6 | 111.1 | D74 F80 L105 T106 E348 E398 | D74-R76 IonicContact OD2-CZ 3.25Å; D74-R76 IonicContact OD2-NE 2.97Å; D74-R76 PolarHBondContact OD2-NE 3.48Å; D74-R76 IonicContact OD2-NH2 3.88Å; D74-R76 PolarHBondContact OD2-NH2 3.42Å; R76-F80 HydrophobicContact CB-CB 4.1Å; R76-F80 WeakPolarHBondContact CB-O 3.38Å; R76-F80 WeakPolarHBondContact CD-O 3.36Å; R76-L105 CarbonylContact O-C 3.58Å; R76-L105 WeakPolarHBondContact O-CA 3.4Å; R76-T106 PolarHBondContact N-O 3.34Å; R76-T106 PolarHBondContact O-N 3.4Å; R76-E348 IonicContact CZ-OE1 3.82Å; R76-E348 IonicContact CZ-OE2 2.67Å; R76-E348 IonicContact NH1-OE1 2.76Å; R76-E348 IonicContact NH1-OE2 3.39Å; R76-E348 PolarHBondContact NH1-OE2 2.79Å; R76-E348 IonicContact NH2-OE1 3.73Å; R76-E348 PolarHBondContact NH2-OE1 2.86Å; R76-E348 IonicContact NH2-OE2 3.44Å; R76-E348 PolarHBondContact NH2-OE2 3.05Å; R76-E398 VanDerWaalsContact CD-OE1 3.29Å; R76-E398 WeakPolarHBondContact CD-OE1 3.41Å; R76-E398 WeakPolarHBondContact CG-OE1 3.47Å; R76-E398 IonicContact NE-OE1 2.73Å; R76-E398 PolarHBondContact NE-OE1 3.14Å |
| 77 | K | 92.8 | Very high | 91.4 | Very high | 34 Ų | 34 | 39 Ų | 39 | 15% | 0.148 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 154.6 | 175.8 | 179.1 | -176.5 | 167.8 | -164.3 | 0 | 110.5 | F80 S102 L104 E126 T129 Q130 T133 | K77-F80 PolarHBondContact O-N 3.21Å; K77-S102 WeakPolarHBondContact CE-O 3.41Å; K77-L104 WeakPolarHBondContact CA-O 3.16Å; K77-E126 IonicContact NZ-OE1 3.38Å; K77-E126 PolarHBondContact NZ-OE1 3.38Å; K77-T129 HydrophobicContact CD-CG2 4.29Å; K77-T129 HydrophobicContact CG-CG2 4.06Å; K77-Q130 HydrophobicContact CD-CB 4.4Å; K77-Q130 VanDerWaalsContact CD-OE1 3.23Å; K77-T133 HydrophobicContact CB-CG2 4.16Å |
| 78 | G | 88.4 | Confident | 90.9 | Very high | 11 Ų | 11 | 44.7 Ų | 44.7 | 11% | 0.113 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | 67.1 | -140.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F80 A81 E101 L104 | G78-F80 PolarHBondContact O-N 2.93Å; G78-A81 WeakPolarHBondContact O-CB 3.36Å; G78-A81 PolarHBondContact O-N 3.14Å; G78-E101 VanDerWaalsContact CA-O 3.29Å; G78-E101 WeakPolarHBondContact CA-O 3.43Å; G78-L104 PolarHBondContact N-O 3.11Å |
| 79 | K | 87.2 | Confident | 90.3 | Very high | 157 Ų | 157 | 43.6 Ų | 43.6 | 68% | 0.683 | 22% | 0.219 | S | C | * | . | G | 310 helix | trans | -51.8 | -19.8 | 175.8 | 69.7 | 178.1 | -172.8 | 172 | 0 | 115.9 | E101 | K79-E101 VanDerWaalsContact CA-OE1 3.23Å; K79-E101 WeakPolarHBondContact CA-OE1 3.48Å; K79-E101 VanDerWaalsContact CB-OE1 3.26Å; K79-E101 WeakPolarHBondContact CB-OE1 3.36Å; K79-E101 PolarHBondContact N-OE1 2.65Å; K79-E101 VanDerWaalsContact N-OE1 3.13Å |
| 80 | F | 90.2 | Very high | 89.8 | Confident | 74 Ų | 74 | 47.8 Ų | 47.8 | 33% | 0.325 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -92.9 | -16.5 | 178.9 | -57.8 | -60.4 | 0 | 0 | 0 | 113.2 | R76 K77 G78 E398 | R76-F80 HydrophobicContact CB-CB 4.1Å; R76-F80 WeakPolarHBondContact CB-O 3.38Å; R76-F80 WeakPolarHBondContact CD-O 3.36Å; K77-F80 PolarHBondContact O-N 3.21Å; G78-F80 PolarHBondContact O-N 2.93Å; F80-E398 HydrophobicContact CB-CG 4.17Å; F80-E398 HydrophobicContact CD1-CB 3.82Å; F80-E398 HydrophobicContact CD1-CG 3.48Å; F80-E398 VanDerWaalsContact CD1-CG 3.48Å; F80-E398 WeakPolarHBondContact CD1-OE2 3.14Å; F80-E398 HydrophobicContact CD2-CG 3.99Å; F80-E398 HydrophobicContact CE1-CB 3.59Å; F80-E398 HydrophobicContact CE1-CG 3.67Å; F80-E398 HydrophobicContact CE2-CG 4.15Å; F80-E398 HydrophobicContact CG-CB 4.46Å; F80-E398 HydrophobicContact CG-CG 3.63Å; F80-E398 HydrophobicContact CZ-CB 4.04Å; F80-E398 HydrophobicContact CZ-CG 3.98Å |
| 81 | A | 91.2 | Very high | 89.3 | Confident | 8 Ų | 8 | 54.5 Ų | 54.5 | 7% | 0.066 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -75.3 | 152.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | G78 S83 L104 | G78-A81 WeakPolarHBondContact O-CB 3.36Å; G78-A81 PolarHBondContact O-N 3.14Å; A81-S83 PolarHBondContact O-N 2.81Å; A81-S83 VanDerWaalsContact O-N 3.08Å; A81-L104 HydrophobicContact CB-CB 3.53Å; A81-L104 HydrophobicContact CB-CD1 4.38Å |
| 82 | K | 89.8 | Confident | 88.8 | Confident | 63 Ų | 63 | 57.6 Ų | 57.6 | 27% | 0.274 | 28% | 0.278 | S | S | . | . | trans | -67.4 | 107 | 176.5 | -85.3 | -171.2 | 161.6 | -154.7 | 0 | 110.7 | E33 T106 F118 | E33-K82 IonicContact OE2-NZ 4Å; E33-K82 PolarHBondContact OE2-NZ 3.36Å; K82-T106 HydrophobicContact CB-CG2 4.36Å; K82-T106 HydrophobicContact CG-CG2 4.31Å; K82-T106 PolarHBondContact N-OG1 3.41Å; K82-F118 HydrophobicContact CD-CB 4.1Å; K82-F118 HydrophobicContact CD-CD1 3.9Å; K82-F118 HydrophobicContact CD-CG 3.98Å | ||
| 83 | S | 86.3 | Confident | 88.1 | Confident | 57 Ų | 57 | 57.8 Ų | 57.8 | 40% | 0.399 | 28% | 0.279 | S | S | . | . | trans | -70.3 | 141.4 | 170.4 | 57.8 | 0 | 0 | 0 | 0 | 111.6 | A81 K85 | A81-S83 PolarHBondContact O-N 2.81Å; A81-S83 VanDerWaalsContact O-N 3.08Å; S83-K85 PolarHBondContact O-N 2.95Å | ||
| 84 | P | 87.2 | Confident | 87.4 | Confident | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.019 | 29% | 0.289 | C | S | . | . | trans | -67.9 | 123.2 | 176.2 | 27.1 | -33.8 | 0 | 0 | 0 | 111 | L89 R90 L93 Y95 | P84-L89 HydrophobicContact CB-CD2 3.87Å; P84-L89 HydrophobicContact CB-CG 3.98Å; P84-R90 HydrophobicContact CB-CG 4.29Å; P84-R90 HydrophobicContact CG-CG 4.07Å; P84-R90 VanDerWaalsContact O-CD 3.3Å; P84-R90 WeakPolarHBondContact O-CD 3.41Å; P84-R90 WeakPolarHBondContact O-CG 3.44Å; P84-L93 HydrophobicContact CB-CD1 3.97Å; P84-L93 HydrophobicContact CG-CD1 3.83Å; P84-Y95 HydrophobicContact CG-CD1 4.46Å; P84-Y95 HydrophobicContact CG-CD2 3.81Å; P84-Y95 HydrophobicContact CG-CE2 4.17Å; P84-Y95 HydrophobicContact CG-CG 3.99Å | ||
| 85 | K | 85.4 | Confident | 86.2 | Confident | 147 Ų | 147 | 61 Ų | 61 | 64% | 0.639 | 30% | 0.296 | S | S | * | . | trans | -87.3 | -38 | -176.6 | -64.7 | 176.8 | -172.3 | 140.7 | 0 | 114.3 | E33 S83 P87 | E33-K85 WeakPolarHBondContact OE1-CD 3.48Å; E33-K85 VanDerWaalsContact OE1-CE 3.3Å; E33-K85 WeakPolarHBondContact OE1-CE 3.2Å; E33-K85 IonicContact OE1-NZ 3.16Å; E33-K85 PolarHBondContact OE1-NZ 3.39Å; S83-K85 PolarHBondContact O-N 2.95Å; K85-P87 WeakPolarHBondContact O-CD 3.36Å | ||
| 86 | D | 84.5 | Confident | 84.6 | Confident | 46 Ų | 46 | 68.1 Ų | 68.1 | 25% | 0.246 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -63.9 | 126.1 | 179.8 | 164 | 41.9 | 0 | 0 | 0 | 111.2 | K88 L89 R90 | D86-K88 VanDerWaalsContact C-N 3.3Å; D86-K88 PolarHBondContact O-N 3.16Å; D86-K88 PolarHBondContact OD1-N 3.14Å; D86-K88 VanDerWaalsContact OD1-N 3.07Å; D86-K88 WeakPolarHBondContact OD2-CB 3.42Å; D86-K88 PolarHBondContact OD2-N 3Å; D86-L89 HydrophobicContact CB-CB 3.92Å; D86-L89 PolarHBondContact O-N 2.77Å; D86-L89 VanDerWaalsContact OD2-CB 3.32Å; D86-L89 WeakPolarHBondContact OD2-CB 3.39Å; D86-L89 PolarHBondContact OD2-N 3.38Å; D86-R90 WeakPolarHBondContact O-CG 3.24Å; D86-R90 PolarHBondContact O-N 3.01Å |
| 87 | P | 83.3 | Confident | 83.2 | Confident | 97 Ų | 97 | 73.7 Ų | 73.7 | 63% | 0.63 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -55 | -38.8 | 175.5 | -28.2 | 36.4 | 0 | 0 | 0 | 114.3 | K85 R90 E91 | K85-P87 WeakPolarHBondContact O-CD 3.36Å; P87-R90 WeakPolarHBondContact O-CB 3.43Å; P87-R90 PolarHBondContact O-N 2.89Å; P87-E91 PolarHBondContact O-N 2.84Å |
| 88 | K | 83.8 | Confident | 81.9 | Confident | 127 Ų | 127 | 81.6 Ų | 81.6 | 55% | 0.552 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -69.1 | -37.9 | -179.8 | -60.6 | 176.4 | -179.4 | 174.9 | 0 | 111.4 | D86 E91 K92 | D86-K88 VanDerWaalsContact C-N 3.3Å; D86-K88 PolarHBondContact O-N 3.16Å; D86-K88 PolarHBondContact OD1-N 3.14Å; D86-K88 VanDerWaalsContact OD1-N 3.07Å; D86-K88 WeakPolarHBondContact OD2-CB 3.42Å; D86-K88 PolarHBondContact OD2-N 3Å; K88-E91 PolarHBondContact O-N 3.09Å; K88-K92 WeakPolarHBondContact O-CB 3.23Å; K88-K92 VanDerWaalsContact O-CG 3.23Å; K88-K92 WeakPolarHBondContact O-CG 3.21Å; K88-K92 PolarHBondContact O-N 3.18Å |
| 89 | L | 83.4 | Confident | 81 | Confident | 3 Ų | 3 | 83.4 Ų | 83.4 | 2% | 0.016 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -66.4 | -40.9 | 173.3 | -178 | 59.1 | 0 | 0 | 0 | 111.9 | W31 P40 P84 D86 K92 L93 | W31-L89 HydrophobicContact CB-CD1 3.86Å; W31-L89 HydrophobicContact CB-CD2 4.22Å; W31-L89 HydrophobicContact CG-CD1 4.31Å; W31-L89 HydrophobicContact CG-CD2 4.03Å; P40-L89 HydrophobicContact CG-CD1 3.78Å; P84-L89 HydrophobicContact CB-CD2 3.87Å; P84-L89 HydrophobicContact CB-CG 3.98Å; D86-L89 HydrophobicContact CB-CB 3.92Å; D86-L89 PolarHBondContact O-N 2.77Å; D86-L89 VanDerWaalsContact OD2-CB 3.32Å; D86-L89 WeakPolarHBondContact OD2-CB 3.39Å; D86-L89 PolarHBondContact OD2-N 3.38Å; L89-K92 PolarHBondContact O-N 3.06Å; L89-L93 HydrophobicContact CD1-CD1 3.91Å; L89-L93 HydrophobicContact CD1-CG 4.21Å; L89-L93 HydrophobicContact CG-CD1 3.94Å; L89-L93 WeakPolarHBondContact O-CB 3.47Å; L89-L93 VanDerWaalsContact O-CG 3.31Å; L89-L93 WeakPolarHBondContact O-CG 3.33Å; L89-L93 PolarHBondContact O-N 3.23Å |
| 90 | R | 85.3 | Confident | 80.7 | Confident | 88 Ų | 88 | 77.3 Ų | 77.3 | 33% | 0.332 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.5 | -44 | 172.6 | -76.3 | 175.1 | 54.2 | 151.2 | -3.1 | 112.2 | P84 D86 P87 L93 S94 Y95 E96 | P84-R90 HydrophobicContact CB-CG 4.29Å; P84-R90 HydrophobicContact CG-CG 4.07Å; P84-R90 VanDerWaalsContact O-CD 3.3Å; P84-R90 WeakPolarHBondContact O-CD 3.41Å; P84-R90 WeakPolarHBondContact O-CG 3.44Å; D86-R90 WeakPolarHBondContact O-CG 3.24Å; D86-R90 PolarHBondContact O-N 3.01Å; P87-R90 WeakPolarHBondContact O-CB 3.43Å; P87-R90 PolarHBondContact O-N 2.89Å; R90-L93 PolarHBondContact O-N 3.09Å; R90-S94 PolarHBondContact O-N 3.26Å; R90-S94 VanDerWaalsContact O-N 3.11Å; R90-Y95 HydrophobicContact CG-CD1 4.22Å; R90-Y95 HydrophobicContact CG-CG 4.38Å; R90-Y95 WeakPolarHBondContact O-CB 3.45Å; R90-Y95 PolarHBondContact O-N 3.28Å; R90-E96 IonicContact NH2-OE1 2.74Å; R90-E96 PolarHBondContact NH2-OE1 3.43Å |
| 91 | E | 83.3 | Confident | 80.4 | Confident | 152 Ų | 152 | 78.3 Ų | 78.3 | 71% | 0.71 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -60.8 | -52.8 | 174.8 | -174 | -173.6 | -174.4 | 0 | 0 | 111.2 | P87 K88 L93 S94 | P87-E91 PolarHBondContact O-N 2.84Å; K88-E91 PolarHBondContact O-N 3.09Å; E91-L93 PolarHBondContact O-N 3.38Å; E91-S94 PolarHBondContact O-N 3.49Å |
| 92 | K | 83.1 | Confident | 80.2 | Confident | 94 Ų | 94 | 79.4 Ų | 79.4 | 41% | 0.409 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -54.2 | -37.4 | 176.2 | -73 | 165.9 | -176.6 | 168.6 | 0 | 112.9 | S38 P40 K88 L89 S94 | S38-K92 PolarHBondContact O-NZ 3.48Å; P40-K92 HydrophobicContact CG-CB 4.12Å; K88-K92 WeakPolarHBondContact O-CB 3.23Å; K88-K92 VanDerWaalsContact O-CG 3.23Å; K88-K92 WeakPolarHBondContact O-CG 3.21Å; K88-K92 PolarHBondContact O-N 3.18Å; L89-K92 PolarHBondContact O-N 3.06Å; K92-S94 VanDerWaalsContact C-N 3.35Å |
| 93 | L | 81.4 | Confident | 80.3 | Confident | 14 Ų | 14 | 79.5 Ų | 79.5 | 7% | 0.073 | 40% | 0.398 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -3.7 | 178.4 | -70.1 | 170.4 | 0 | 0 | 0 | 113.8 | I29 W31 P40 P84 L89 R90 E91 Y95 L100 L122 | I29-L93 HydrophobicContact CG2-CD2 3.89Å; W31-L93 HydrophobicContact CD2-CD1 3.91Å; W31-L93 HydrophobicContact CE3-CD1 3.93Å; W31-L93 HydrophobicContact CE3-CD2 4.12Å; W31-L93 HydrophobicContact CG-CD1 4.3Å; W31-L93 HydrophobicContact CZ3-CD1 4.41Å; P40-L93 HydrophobicContact CB-CD2 3.74Å; P40-L93 HydrophobicContact CG-CD2 3.73Å; P40-L93 HydrophobicContact CG-CG 3.99Å; P84-L93 HydrophobicContact CB-CD1 3.97Å; P84-L93 HydrophobicContact CG-CD1 3.83Å; L89-L93 HydrophobicContact CD1-CD1 3.91Å; L89-L93 HydrophobicContact CD1-CG 4.21Å; L89-L93 HydrophobicContact CG-CD1 3.94Å; L89-L93 WeakPolarHBondContact O-CB 3.47Å; L89-L93 VanDerWaalsContact O-CG 3.31Å; L89-L93 WeakPolarHBondContact O-CG 3.33Å; L89-L93 PolarHBondContact O-N 3.23Å; R90-L93 PolarHBondContact O-N 3.09Å; E91-L93 PolarHBondContact O-N 3.38Å; L93-Y95 PolarHBondContact O-N 3.25Å; L93-L100 WeakPolarHBondContact O-CD2 3.27Å; L93-L122 HydrophobicContact CD2-CD2 4.32Å |
| 94 | S | 78 | Confident | 80.6 | Confident | 50 Ų | 50 | 76.9 Ų | 76.9 | 35% | 0.35 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 34 | -169.1 | -71.6 | 0 | 0 | 0 | 0 | 113.7 | R90 E91 K92 E96 K97 | R90-S94 PolarHBondContact O-N 3.26Å; R90-S94 VanDerWaalsContact O-N 3.11Å; E91-S94 PolarHBondContact O-N 3.49Å; K92-S94 VanDerWaalsContact C-N 3.35Å; S94-E96 PolarHBondContact O-N 2.77Å; S94-K97 PolarHBondContact O-N 2.94Å; S94-K97 PolarHBondContact OG-NZ 3.5Å |
| 95 | Y | 72.1 | Confident | 81 | Confident | 37 Ų | 37 | 76.7 Ų | 76.7 | 15% | 0.145 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -15 | -170.5 | -165.1 | -98.2 | 0 | 0 | 0 | 114.7 | P84 R90 L93 K97 L100 L104 | P84-Y95 HydrophobicContact CG-CD1 4.46Å; P84-Y95 HydrophobicContact CG-CD2 3.81Å; P84-Y95 HydrophobicContact CG-CE2 4.17Å; P84-Y95 HydrophobicContact CG-CG 3.99Å; R90-Y95 HydrophobicContact CG-CD1 4.22Å; R90-Y95 HydrophobicContact CG-CG 4.38Å; R90-Y95 WeakPolarHBondContact O-CB 3.45Å; R90-Y95 PolarHBondContact O-N 3.28Å; L93-Y95 PolarHBondContact O-N 3.25Å; Y95-K97 VanDerWaalsContact C-N 3.26Å; Y95-K97 PolarHBondContact O-N 2.97Å; Y95-L100 HydrophobicContact CD2-CB 4.36Å; Y95-L100 HydrophobicContact CD2-CD2 4.4Å; Y95-L100 HydrophobicContact CE2-CB 4.5Å; Y95-L104 HydrophobicContact CE2-CD1 4.01Å; Y95-L104 HydrophobicContact CE2-CD2 4.12Å; Y95-L104 HydrophobicContact CE2-CG 4.33Å |
| 96 | E | 64.9 | Low | 81.5 | Confident | 156 Ų | 156 | 69.8 Ų | 69.8 | 73% | 0.729 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | 0 | 179.8 | -50.6 | -162 | 139.3 | 0 | 0 | 113.8 | R90 S94 | R90-E96 IonicContact NH2-OE1 2.74Å; R90-E96 PolarHBondContact NH2-OE1 3.43Å; S94-E96 PolarHBondContact O-N 2.77Å |
| 97 | K | 65.8 | Low | 82.1 | Confident | 130 Ų | 130 | 67.6 Ų | 67.6 | 57% | 0.565 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -83.3 | 132.8 | 171.3 | -65 | 169.3 | -175.5 | 154.3 | 0 | 109.9 | S94 Y95 L100 | S94-K97 PolarHBondContact O-N 2.94Å; S94-K97 PolarHBondContact OG-NZ 3.5Å; Y95-K97 VanDerWaalsContact C-N 3.26Å; Y95-K97 PolarHBondContact O-N 2.97Å; K97-L100 HydrophobicContact CB-CD1 3.88Å; K97-L100 PolarHBondContact O-N 2.91Å |
| 98 | E | 66.2 | Low | 82.8 | Confident | 199 Ų | 199 | 63 Ų | 63 | 93% | 0.93 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 141.9 | 179.2 | -63.2 | -175.2 | 147 | 0 | 0 | 112.3 | L100 | E98-L100 PolarHBondContact O-N 3.13Š|
| 99 | G | 69.6 | Low | 83.3 | Confident | 50 Ų | 50 | 59.6 Ų | 59.6 | 52% | 0.515 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | -0.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | E101 S102 | G99-E101 VanDerWaalsContact C-N 3.27Å; G99-E101 PolarHBondContact O-N 2.99Å; G99-S102 PolarHBondContact O-N 2.91Å; G99-S102 PolarHBondContact O-OG 3.36Å |
| 100 | L | 80.4 | Confident | 83.6 | Confident | 28 Ų | 28 | 59.8 Ų | 59.8 | 15% | 0.147 | 29% | 0.293 | C | S | . | . | trans | -64.3 | -30.9 | 175.5 | -105.9 | 91.8 | 0 | 0 | 0 | 113.6 | L93 Y95 K97 E98 S102 K103 L122 | L93-L100 WeakPolarHBondContact O-CD2 3.27Å; Y95-L100 HydrophobicContact CD2-CB 4.36Å; Y95-L100 HydrophobicContact CD2-CD2 4.4Å; Y95-L100 HydrophobicContact CE2-CB 4.5Å; K97-L100 HydrophobicContact CB-CD1 3.88Å; K97-L100 PolarHBondContact O-N 2.91Å; E98-L100 PolarHBondContact O-N 3.13Å; L100-S102 VanDerWaalsContact C-N 3.27Å; L100-S102 PolarHBondContact O-N 2.78Å; L100-K103 WeakPolarHBondContact O-CB 3.43Å; L100-K103 PolarHBondContact O-N 3.06Å; L100-L122 HydrophobicContact CD2-CD1 4.1Å; L100-L122 HydrophobicContact CD2-CD2 3.77Å; L100-L122 HydrophobicContact CG-CD1 4.41Å | ||
| 101 | E | 84.2 | Confident | 83.6 | Confident | 95 Ų | 95 | 60.1 Ų | 60.1 | 44% | 0.444 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -54.5 | -42.2 | 179.8 | -170.2 | -176.4 | 135 | 0 | 0 | 111.9 | G78 K79 G99 K103 L104 | G78-E101 VanDerWaalsContact CA-O 3.29Å; G78-E101 WeakPolarHBondContact CA-O 3.43Å; K79-E101 VanDerWaalsContact CA-OE1 3.23Å; K79-E101 WeakPolarHBondContact CA-OE1 3.48Å; K79-E101 VanDerWaalsContact CB-OE1 3.26Å; K79-E101 WeakPolarHBondContact CB-OE1 3.36Å; K79-E101 PolarHBondContact N-OE1 2.65Å; K79-E101 VanDerWaalsContact N-OE1 3.13Å; G99-E101 VanDerWaalsContact C-N 3.27Å; G99-E101 PolarHBondContact O-N 2.99Å; E101-K103 PolarHBondContact O-N 3Å; E101-L104 HydrophobicContact CG-CD1 4.41Å; E101-L104 WeakPolarHBondContact O-CB 3.13Å; E101-L104 WeakPolarHBondContact O-CG 3.4Å; E101-L104 PolarHBondContact O-N 2.93Å |
| 102 | S | 86.9 | Confident | 83.7 | Confident | 31 Ų | 31 | 54.1 Ų | 54.1 | 22% | 0.217 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -64.1 | -15.7 | -179.4 | 81.7 | 0 | 0 | 0 | 0 | 114 | K77 G99 L100 E126 | K77-S102 WeakPolarHBondContact CE-O 3.41Å; G99-S102 PolarHBondContact O-N 2.91Å; G99-S102 PolarHBondContact O-OG 3.36Å; L100-S102 VanDerWaalsContact C-N 3.27Å; L100-S102 PolarHBondContact O-N 2.78Å; S102-E126 VanDerWaalsContact CB-CD 3.44Å; S102-E126 VanDerWaalsContact CB-OE2 3.3Å; S102-E126 WeakPolarHBondContact CB-OE2 3.46Å; S102-E126 VanDerWaalsContact OG-CD 3.28Å; S102-E126 PolarHBondContact OG-OE2 3.43Å |
| 103 | K | 91.3 | Very high | 83.9 | Confident | 65 Ų | 65 | 49.8 Ų | 49.8 | 28% | 0.283 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -99.1 | -2.3 | 178.9 | -55.4 | -174.2 | -176.9 | -172.7 | 0 | 113.5 | L100 E101 L122 G123 L124 E126 T129 | L100-K103 WeakPolarHBondContact O-CB 3.43Å; L100-K103 PolarHBondContact O-N 3.06Å; E101-K103 PolarHBondContact O-N 3Å; K103-L122 HydrophobicContact CB-CD1 3.65Å; K103-G123 PolarHBondContact O-N 3.28Å; K103-L124 PolarHBondContact NZ-O 2.9Å; K103-E126 HydrophobicContact CG-CB 4.41Å; K103-T129 WeakPolarHBondContact O-CG2 3.49Å; K103-T129 PolarHBondContact O-OG1 3.01Å |
| 104 | L | 93.3 | Very high | 84.3 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 135.6 | 173.2 | -64 | 177.2 | 0 | 0 | 0 | 110.4 | W31 K77 G78 A81 Y95 E101 L121 L122 T129 | W31-L104 HydrophobicContact CH2-CD2 3.55Å; W31-L104 HydrophobicContact CZ2-CD2 3.98Å; K77-L104 WeakPolarHBondContact CA-O 3.16Å; G78-L104 PolarHBondContact N-O 3.11Å; A81-L104 HydrophobicContact CB-CB 3.53Å; A81-L104 HydrophobicContact CB-CD1 4.38Å; Y95-L104 HydrophobicContact CE2-CD1 4.01Å; Y95-L104 HydrophobicContact CE2-CD2 4.12Å; Y95-L104 HydrophobicContact CE2-CG 4.33Å; E101-L104 HydrophobicContact CG-CD1 4.41Å; E101-L104 WeakPolarHBondContact O-CB 3.13Å; E101-L104 WeakPolarHBondContact O-CG 3.4Å; E101-L104 PolarHBondContact O-N 2.93Å; L104-L121 WeakPolarHBondContact CA-O 3.08Å; L104-L122 HydrophobicContact CD2-CD1 4.31Å; L104-T129 WeakPolarHBondContact O-CG2 3.34Å |
| 105 | L | 95.5 | Very high | 84.8 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 138.7 | 166.4 | 167 | 62.5 | 0 | 0 | 0 | 108.1 | F28 R76 I107 L121 T129 W132 | F28-L105 HydrophobicContact CE1-CD2 4.01Å; F28-L105 HydrophobicContact CZ-CD2 4.23Å; R76-L105 CarbonylContact O-C 3.58Å; R76-L105 WeakPolarHBondContact O-CA 3.4Å; L105-I107 HydrophobicContact CD1-CG1 4.21Å; L105-I107 HydrophobicContact CD2-CD1 4.37Å; L105-I107 HydrophobicContact CD2-CG1 4.34Å; L105-I107 HydrophobicContact CG-CG1 4.16Å; L105-L121 HydrophobicContact CB-CB 4.12Å; L105-L121 HydrophobicContact CD2-CD1 3.9Å; L105-L121 HydrophobicContact CG-CB 4.39Å; L105-L121 HydrophobicContact CG-CD1 4.28Å; L105-L121 PolarHBondContact N-O 3.41Å; L105-L121 PolarHBondContact O-N 3.14Å; L105-L121 VanDerWaalsContact O-O 3.05Å; L105-T129 HydrophobicContact CB-CG2 4.05Å; L105-W132 HydrophobicContact CD2-CB 4.1Å |
| 106 | T | 96.3 | Very high | 85.8 | Confident | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 125.3 | 167.4 | -60.9 | 0 | 0 | 0 | 0 | 109.3 | T75 R76 K82 V108 F118 I119 | T75-T106 CarbonylContact C-O 3.58Å; T75-T106 WeakPolarHBondContact CA-O 3.09Å; R76-T106 PolarHBondContact N-O 3.34Å; R76-T106 PolarHBondContact O-N 3.4Å; K82-T106 HydrophobicContact CB-CG2 4.36Å; K82-T106 HydrophobicContact CG-CG2 4.31Å; K82-T106 PolarHBondContact N-OG1 3.41Å; T106-V108 HydrophobicContact CG2-CG2 4.32Å; T106-F118 HydrophobicContact CG2-CB 4.45Å; T106-F118 HydrophobicContact CG2-CD1 3.96Å; T106-I119 WeakPolarHBondContact CA-O 3.44Å |
| 107 | I | 97 | Very high | 87.2 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 125.1 | 175.6 | -53.5 | 170.2 | 0 | 0 | 0 | 107 | L45 L54 I72 L105 F118 I119 L121 L136 | L45-I107 HydrophobicContact CD2-CD1 4.17Å; L54-I107 HydrophobicContact CD2-CD1 3.81Å; I72-I107 HydrophobicContact CD1-CG2 4.07Å; I72-I107 HydrophobicContact CG1-CG2 4.18Å; I72-I107 HydrophobicContact CG2-CG2 3.97Å; L105-I107 HydrophobicContact CD1-CG1 4.21Å; L105-I107 HydrophobicContact CD2-CD1 4.37Å; L105-I107 HydrophobicContact CD2-CG1 4.34Å; L105-I107 HydrophobicContact CG-CG1 4.16Å; I107-F118 WeakPolarHBondContact O-CA 3.44Å; I107-I119 HydrophobicContact CB-CB 4.33Å; I107-I119 PolarHBondContact N-O 2.76Å; I107-I119 PolarHBondContact O-N 2.99Å; I107-L121 HydrophobicContact CD1-CD1 3.76Å; I107-L121 HydrophobicContact CG1-CD1 4.4Å; I107-L136 HydrophobicContact CD1-CD2 3.63Å; I107-L136 HydrophobicContact CG1-CD2 3.93Å; I107-L136 HydrophobicContact CG2-CD2 4.26Å |
| 108 | V | 96.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 127.2 | 179.7 | -167.4 | 0 | 0 | 0 | 0 | 108.6 | C73 D74 T106 V116 S117 F118 | C73-V108 PolarHBondContact N-O 3.01Å; D74-V108 HydrophobicContact CB-CB 4Å; D74-V108 HydrophobicContact CB-CG2 4.1Å; D74-V108 PolarHBondContact N-O 2.92Å; D74-V108 PolarHBondContact O-N 2.96Å; T106-V108 HydrophobicContact CG2-CG2 4.32Å; V108-V116 HydrophobicContact CG1-CB 3.98Å; V108-V116 HydrophobicContact CG1-CG1 4.44Å; V108-V116 HydrophobicContact CG1-CG2 4.36Å; V108-S117 WeakPolarHBondContact CA-O 3.32Å; V108-F118 HydrophobicContact CB-CD1 4.48Å; V108-F118 HydrophobicContact CB-CE1 4.46Å; V108-F118 HydrophobicContact CG1-CD1 4.19Å; V108-F118 HydrophobicContact CG1-CE1 3.87Å; V108-F118 HydrophobicContact CG1-CZ 4.27Å; V108-F118 HydrophobicContact CG2-CD1 3.79Å; V108-F118 HydrophobicContact CG2-CE1 3.79Å |
| 109 | Y | 95.1 | Very high | 89.8 | Confident | 57 Ų | 57 | 36.3 Ų | 36.3 | 22% | 0.224 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 144.2 | -175.1 | 73.7 | -71.4 | 0 | 0 | 0 | 112 | I67 T71 S117 I119 | I67-Y109 HydrophobicContact CG2-CD2 4.19Å; I67-Y109 HydrophobicContact CG2-CG 4.4Å; T71-Y109 CarbonylContact O-C 3.57Å; T71-Y109 WeakPolarHBondContact O-CA 3.41Å; T71-Y109 VanDerWaalsContact O-CB 3.3Å; T71-Y109 WeakPolarHBondContact O-CB 3.42Å; Y109-S117 WeakPolarHBondContact CD1-O 3.19Å; Y109-S117 PolarHBondContact N-O 2.65Å; Y109-S117 PolarHBondContact O-N 2.96Å; Y109-I119 HydrophobicContact CD1-CD1 4.26Å; Y109-I119 HydrophobicContact CD1-CG1 4.04Å; Y109-I119 HydrophobicContact CE1-CD1 3.89Å; Y109-I119 HydrophobicContact CE1-CG1 3.56Å |
| 110 | G | 90.3 | Very high | 91 | Very high | 6 Ų | 6 | 34.2 Ų | 34.2 | 6% | 0.062 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -163.3 | 161 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | T71 Q801 | T71-G110 PolarHBondContact O-N 2.99Å; G110-Q801 PolarHBondContact O-NE2 3.24Å |
| 111 | V | 84.1 | Confident | 91.6 | Very high | 96 Ų | 96 | 32.9 Ų | 32.9 | 58% | 0.582 | 18% | 0.177 | S | C | * | . | S | Bend | trans | -86 | -19.5 | 171.3 | -65.9 | 0 | 0 | 0 | 0 | 112.3 | ||
| 112 | D | 86 | Confident | 92 | Very high | 25 Ų | 25 | 29 Ų | 29 | 13% | 0.134 | 16% | 0.159 | C | C | . | . | S | Bend | trans | -150.3 | 173.1 | 173.2 | 65.3 | 72.5 | 0 | 0 | 0 | 109.4 | V114 N115 L649 | D112-V114 VanDerWaalsContact C-N 3.3Å; D112-V114 PolarHBondContact O-N 2.99Å; D112-V114 WeakPolarHBondContact OD1-CA 3.41Å; D112-V114 VanDerWaalsContact OD1-CB 3.31Å; D112-V114 WeakPolarHBondContact OD1-CB 3.49Å; D112-V114 PolarHBondContact OD1-N 3.45Å; D112-N115 PolarHBondContact OD1-N 3.15Å; D112-N115 PolarHBondContact OD1-ND2 3.28Å; D112-N115 VanDerWaalsContact OD1-ND2 3.17Å; D112-N115 PolarHBondContact OD2-ND2 3.24Å; D112-L649 HydrophobicContact CB-CD1 3.81Å |
| 113 | M | 86.8 | Confident | 92.2 | Very high | 4 Ų | 4 | 27.6 Ų | 27.6 | 2% | 0.02 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -76.1 | -9.6 | -176.3 | 69.2 | -178.8 | 96.7 | 0 | 0 | 115.3 | M349 Q352 V353 F646 L649 M657 F799 | M113-M349 HydrophobicContact CG-CE 4.46Å; M113-M349 HydrophobicContact CG-SD 4.06Å; M113-M349 HydrophobicContact SD-SD 4.1Å; M113-Q352 HydrophobicContact CB-CB 3.93Å; M113-V353 HydrophobicContact SD-CG2 4.21Å; M113-F646 HydrophobicContact CE-CB 4.14Å; M113-F646 HydrophobicContact CE-CD1 4.05Å; M113-F646 HydrophobicContact CE-CG 4.45Å; M113-F646 WeakPolarHBondContact CE-O 3.43Å; M113-F646 HydrophobicContact SD-CB 3.69Å; M113-F646 HydrophobicContact SD-CD1 4Å; M113-F646 HydrophobicContact SD-CG 4.33Å; M113-L649 HydrophobicContact CE-CD2 3.9Å; M113-M657 HydrophobicContact CE-CE 4.07Å; M113-F799 HydrophobicContact CB-CE2 4.26Å; M113-F799 HydrophobicContact CB-CZ 4.07Å; M113-F799 HydrophobicContact CE-CD2 4.03Å; M113-F799 HydrophobicContact CE-CE2 3.74Å |
| 114 | V | 90 | Very high | 92 | Very high | 46 Ų | 46 | 29.4 Ų | 29.4 | 28% | 0.279 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -95.1 | -46.7 | 179 | -167 | 0 | 0 | 0 | 0 | 109.9 | D112 V116 T337 M349 Q647 | D112-V114 VanDerWaalsContact C-N 3.3Å; D112-V114 PolarHBondContact O-N 2.99Å; D112-V114 WeakPolarHBondContact OD1-CA 3.41Å; D112-V114 VanDerWaalsContact OD1-CB 3.31Å; D112-V114 WeakPolarHBondContact OD1-CB 3.49Å; D112-V114 PolarHBondContact OD1-N 3.45Å; V114-V116 PolarHBondContact O-N 2.85Å; V114-T337 WeakPolarHBondContact CG1-O 3.48Å; V114-M349 HydrophobicContact CB-CE 4.33Å; V114-M349 HydrophobicContact CG1-CE 4.42Å; V114-M349 HydrophobicContact CG2-CE 3.88Å; V114-Q647 HydrophobicContact CG2-CB 4.03Å |
| 115 | N | 89.9 | Confident | 91.8 | Very high | 106 Ų | 106 | 32.2 Ų | 32.2 | 57% | 0.567 | 18% | 0.177 | S | C | * | . | S | Bend | trans | -92.4 | 63.4 | -174.5 | -60.2 | -66.7 | 0 | 0 | 0 | 111.4 | D112 | D112-N115 PolarHBondContact OD1-N 3.15Å; D112-N115 PolarHBondContact OD1-ND2 3.28Å; D112-N115 VanDerWaalsContact OD1-ND2 3.17Å; D112-N115 PolarHBondContact OD2-ND2 3.24Å |
| 116 | V | 93 | Very high | 91.7 | Very high | 26 Ų | 26 | 36.4 Ų | 36.4 | 16% | 0.158 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 139.9 | 178.8 | -64.1 | 0 | 0 | 0 | 0 | 113 | V108 V114 F118 E348 Q352 | V108-V116 HydrophobicContact CG1-CB 3.98Å; V108-V116 HydrophobicContact CG1-CG1 4.44Å; V108-V116 HydrophobicContact CG1-CG2 4.36Å; V114-V116 PolarHBondContact O-N 2.85Å; V116-F118 HydrophobicContact CG2-CE2 4.15Å; V116-F118 HydrophobicContact CG2-CZ 4.12Å; V116-E348 HydrophobicContact CG2-CG 4.12Å; V116-Q352 HydrophobicContact CG1-CG 4.24Å |
| 117 | S | 93.1 | Very high | 91.5 | Very high | 57 Ų | 57 | 43.9 Ų | 43.9 | 40% | 0.399 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 156.1 | 176.6 | -70.4 | 0 | 0 | 0 | 0 | 110.8 | V108 Y109 | V108-S117 WeakPolarHBondContact CA-O 3.32Å; Y109-S117 WeakPolarHBondContact CD1-O 3.19Å; Y109-S117 PolarHBondContact N-O 2.65Å; Y109-S117 PolarHBondContact O-N 2.96Å |
| 118 | F | 93.5 | Very high | 91.3 | Very high | 64 Ų | 64 | 44.9 Ų | 44.9 | 28% | 0.281 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 133.5 | -173.6 | -60.6 | -94.9 | 0 | 0 | 0 | 111 | K82 T106 I107 V108 V116 E348 | K82-F118 HydrophobicContact CD-CB 4.1Å; K82-F118 HydrophobicContact CD-CD1 3.9Å; K82-F118 HydrophobicContact CD-CG 3.98Å; T106-F118 HydrophobicContact CG2-CB 4.45Å; T106-F118 HydrophobicContact CG2-CD1 3.96Å; I107-F118 WeakPolarHBondContact O-CA 3.44Å; V108-F118 HydrophobicContact CB-CD1 4.48Å; V108-F118 HydrophobicContact CB-CE1 4.46Å; V108-F118 HydrophobicContact CG1-CD1 4.19Å; V108-F118 HydrophobicContact CG1-CE1 3.87Å; V108-F118 HydrophobicContact CG1-CZ 4.27Å; V108-F118 HydrophobicContact CG2-CD1 3.79Å; V108-F118 HydrophobicContact CG2-CE1 3.79Å; V116-F118 HydrophobicContact CG2-CE2 4.15Å; V116-F118 HydrophobicContact CG2-CZ 4.12Å; F118-E348 HydrophobicContact CZ-CG 4.22Å |
| 119 | I | 93.4 | Very high | 91.2 | Very high | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 110.6 | 168.2 | -47.9 | -178.2 | 0 | 0 | 0 | 107.8 | R30 I67 T106 I107 Y109 L121 | R30-I119 HydrophobicContact CG-CG2 4.36Å; I67-I119 HydrophobicContact CD1-CD1 3.38Å; I67-I119 HydrophobicContact CG1-CD1 4.1Å; T106-I119 WeakPolarHBondContact CA-O 3.44Å; I107-I119 HydrophobicContact CB-CB 4.33Å; I107-I119 PolarHBondContact N-O 2.76Å; I107-I119 PolarHBondContact O-N 2.99Å; Y109-I119 HydrophobicContact CD1-CD1 4.26Å; Y109-I119 HydrophobicContact CD1-CG1 4.04Å; Y109-I119 HydrophobicContact CE1-CD1 3.89Å; Y109-I119 HydrophobicContact CE1-CG1 3.56Å; I119-L121 HydrophobicContact CG2-CD1 4.37Å; I119-L121 HydrophobicContact CG2-CD2 3.99Å; I119-L121 HydrophobicContact CG2-CG 4.03Å |
| 120 | C | 93.8 | Very high | 91.2 | Very high | 6 Ų | 6 | 45.6 Ų | 45.6 | 4% | 0.041 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 123.5 | -178.7 | -55 | 0 | 0 | 0 | 0 | 109.8 | R30 W31 | R30-C120 WeakPolarHBondContact CA-O 3.42Å; W31-C120 HydrophobicContact CD2-CB 4.03Å; W31-C120 VanDerWaalsContact CE2-CB 3.41Å; W31-C120 HydrophobicContact CG-CB 4.42Å; W31-C120 HydrophobicContact CH2-CB 4.28Å; W31-C120 HydrophobicContact CZ2-CB 3.58Å; W31-C120 PolarHBondContact N-O 2.93Å |
| 121 | L | 93.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 147.3 | -170.2 | -62.7 | 175.7 | 0 | 0 | 0 | 111.4 | F28 I29 R30 W31 L45 W56 L104 L105 I107 I119 | F28-L121 HydrophobicContact CB-CB 4.34Å; F28-L121 HydrophobicContact CB-CD2 4.17Å; F28-L121 HydrophobicContact CD1-CB 4.1Å; F28-L121 HydrophobicContact CG-CB 4.48Å; I29-L121 CarbonylContact O-C 3.46Å; I29-L121 WeakPolarHBondContact O-CA 3.47Å; R30-L121 HydrophobicContact CB-CD2 3.73Å; R30-L121 HydrophobicContact CG-CD2 4.11Å; W31-L121 VanDerWaalsContact CH2-C 3.42Å; W31-L121 WeakPolarHBondContact CH2-O 3.15Å; L45-L121 HydrophobicContact CD2-CD1 3.84Å; W56-L121 HydrophobicContact CH2-CD2 4.29Å; W56-L121 HydrophobicContact CZ3-CD2 4.07Å; L104-L121 WeakPolarHBondContact CA-O 3.08Å; L105-L121 HydrophobicContact CB-CB 4.12Å; L105-L121 HydrophobicContact CD2-CD1 3.9Å; L105-L121 HydrophobicContact CG-CB 4.39Å; L105-L121 HydrophobicContact CG-CD1 4.28Å; L105-L121 PolarHBondContact N-O 3.41Å; L105-L121 PolarHBondContact O-N 3.14Å; L105-L121 VanDerWaalsContact O-O 3.05Å; I107-L121 HydrophobicContact CD1-CD1 3.76Å; I107-L121 HydrophobicContact CG1-CD1 4.4Å; I119-L121 HydrophobicContact CG2-CD1 4.37Å; I119-L121 HydrophobicContact CG2-CD2 3.99Å; I119-L121 HydrophobicContact CG2-CG 4.03Å |
| 122 | L | 92.6 | Very high | 92.1 | Very high | 12 Ų | 12 | 42.6 Ų | 42.6 | 6% | 0.063 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 117.3 | 173.7 | 172.2 | 69.3 | 0 | 0 | 0 | 108.3 | F28 I29 W31 L93 L100 K103 L104 | F28-L122 WeakPolarHBondContact CA-O 3.16Å; I29-L122 HydrophobicContact CB-CB 4.41Å; I29-L122 PolarHBondContact N-O 3.28Å; I29-L122 PolarHBondContact O-N 3.39Å; W31-L122 HydrophobicContact CH2-CB 4.03Å; W31-L122 HydrophobicContact CZ3-CB 3.54Å; L93-L122 HydrophobicContact CD2-CD2 4.32Å; L100-L122 HydrophobicContact CD2-CD1 4.1Å; L100-L122 HydrophobicContact CD2-CD2 3.77Å; L100-L122 HydrophobicContact CG-CD1 4.41Å; K103-L122 HydrophobicContact CB-CD1 3.65Å; L104-L122 HydrophobicContact CD2-CD1 4.31Å |
| 123 | G | 91.4 | Very high | 92.6 | Very high | 3 Ų | 3 | 41.9 Ų | 41.9 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 155.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K103 D125 | K103-G123 PolarHBondContact O-N 3.28Å; G123-D125 VanDerWaalsContact C-N 3.33Å |
| 124 | L | 88.3 | Confident | 93 | Very high | 102 Ų | 102 | 45.3 Ų | 45.3 | 53% | 0.534 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -69.9 | -34.7 | 175.1 | -57.9 | -178.2 | 0 | 0 | 0 | 111.4 | K27 K103 | K27-L124 HydrophobicContact CB-CD1 3.97Å; K103-L124 PolarHBondContact NZ-O 2.9Å |
| 125 | D | 89.1 | Confident | 93.3 | Very high | 61 Ų | 61 | 46 Ų | 46 | 33% | 0.326 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -136 | 160.4 | 176.3 | 76 | 93.7 | 0 | 0 | 0 | 111.8 | G123 K127 T128 T129 | G123-D125 VanDerWaalsContact C-N 3.33Å; D125-K127 WeakPolarHBondContact OD1-CA 3.31Å; D125-K127 WeakPolarHBondContact OD1-CB 3.29Å; D125-K127 PolarHBondContact OD1-N 2.8Å; D125-T128 VanDerWaalsContact CG-OG1 3.3Å; D125-T128 PolarHBondContact OD1-N 3.08Å; D125-T128 PolarHBondContact OD1-OG1 3.28Å; D125-T128 WeakPolarHBondContact OD2-CB 3.15Å; D125-T128 PolarHBondContact OD2-OG1 2.97Å; D125-T129 PolarHBondContact O-N 2.85Å; D125-T129 PolarHBondContact O-OG1 3.38Å |
| 126 | E | 91.5 | Very high | 93.6 | Very high | 89 Ų | 89 | 41 Ų | 41 | 42% | 0.416 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -72.8 | -31.7 | -176.3 | 176.4 | 169.1 | -177.8 | 0 | 0 | 113.4 | K77 S102 K103 T129 Q130 | K77-E126 IonicContact NZ-OE1 3.38Å; K77-E126 PolarHBondContact NZ-OE1 3.38Å; S102-E126 VanDerWaalsContact CB-CD 3.44Å; S102-E126 VanDerWaalsContact CB-OE2 3.3Å; S102-E126 WeakPolarHBondContact CB-OE2 3.46Å; S102-E126 VanDerWaalsContact OG-CD 3.28Å; S102-E126 PolarHBondContact OG-OE2 3.43Å; K103-E126 HydrophobicContact CG-CB 4.41Å; E126-T129 WeakPolarHBondContact O-CB 3.26Å; E126-T129 PolarHBondContact O-N 3.12Å; E126-Q130 PolarHBondContact O-N 3.27Å |
| 127 | K | 93.3 | Very high | 93.7 | Very high | 157 Ų | 157 | 40.9 Ų | 40.9 | 68% | 0.683 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -70.2 | -44 | -176.2 | -177.1 | -173.7 | 175.3 | -174 | 0 | 110.4 | D125 T129 Q130 I131 | D125-K127 WeakPolarHBondContact OD1-CA 3.31Å; D125-K127 WeakPolarHBondContact OD1-CB 3.29Å; D125-K127 PolarHBondContact OD1-N 2.8Å; K127-T129 VanDerWaalsContact C-N 3.31Å; K127-T129 PolarHBondContact O-N 2.74Å; K127-Q130 PolarHBondContact O-N 2.88Å; K127-I131 HydrophobicContact CG-CD1 4.09Å; K127-I131 WeakPolarHBondContact O-CG1 3.27Å; K127-I131 PolarHBondContact O-N 3.2Å |
| 128 | T | 93.3 | Very high | 93.8 | Very high | 21 Ų | 21 | 42.8 Ų | 42.8 | 13% | 0.129 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.4 | -45.7 | 171.2 | -58.9 | 0 | 0 | 0 | 0 | 110.4 | F28 D125 Q130 I131 W132 | F28-T128 HydrophobicContact CZ-CG2 4.16Å; D125-T128 VanDerWaalsContact CG-OG1 3.3Å; D125-T128 PolarHBondContact OD1-N 3.08Å; D125-T128 PolarHBondContact OD1-OG1 3.28Å; D125-T128 WeakPolarHBondContact OD2-CB 3.15Å; D125-T128 PolarHBondContact OD2-OG1 2.97Å; T128-Q130 VanDerWaalsContact C-N 3.34Å; T128-Q130 PolarHBondContact O-N 3.19Å; T128-I131 PolarHBondContact O-N 2.58Å; T128-W132 WeakPolarHBondContact O-CB 3.41Å; T128-W132 VanDerWaalsContact O-CD1 3.26Å; T128-W132 PolarHBondContact O-N 2.82Å |
| 129 | T | 94.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.9 | -42 | 177 | -53.6 | 0 | 0 | 0 | 0 | 112.2 | K77 K103 L104 L105 D125 E126 K127 T133 | K77-T129 HydrophobicContact CD-CG2 4.29Å; K77-T129 HydrophobicContact CG-CG2 4.06Å; K103-T129 WeakPolarHBondContact O-CG2 3.49Å; K103-T129 PolarHBondContact O-OG1 3.01Å; L104-T129 WeakPolarHBondContact O-CG2 3.34Å; L105-T129 HydrophobicContact CB-CG2 4.05Å; D125-T129 PolarHBondContact O-N 2.85Å; D125-T129 PolarHBondContact O-OG1 3.38Å; E126-T129 WeakPolarHBondContact O-CB 3.26Å; E126-T129 PolarHBondContact O-N 3.12Å; K127-T129 VanDerWaalsContact C-N 3.31Å; K127-T129 PolarHBondContact O-N 2.74Å; T129-T133 PolarHBondContact O-N 3.25Å; T129-T133 PolarHBondContact O-OG1 2.88Å |
| 130 | Q | 94.9 | Very high | 93.9 | Very high | 72 Ų | 72 | 40.1 Ų | 40.1 | 34% | 0.336 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -62.1 | -55.2 | 176.1 | -171.6 | 67.4 | 54.4 | 0 | 0 | 111.6 | K77 E126 K127 T128 W132 T133 D134 | K77-Q130 HydrophobicContact CD-CB 4.4Å; K77-Q130 VanDerWaalsContact CD-OE1 3.23Å; E126-Q130 PolarHBondContact O-N 3.27Å; K127-Q130 PolarHBondContact O-N 2.88Å; T128-Q130 VanDerWaalsContact C-N 3.34Å; T128-Q130 PolarHBondContact O-N 3.19Å; Q130-W132 VanDerWaalsContact C-N 3.25Å; Q130-W132 PolarHBondContact O-N 2.77Å; Q130-T133 WeakPolarHBondContact O-CA 3.29Å; Q130-T133 WeakPolarHBondContact O-CB 3.5Å; Q130-T133 PolarHBondContact O-N 3.36Å; Q130-D134 WeakPolarHBondContact CG-OD2 3.24Å; Q130-D134 PolarHBondContact NE2-OD1 3.03Å; Q130-D134 PolarHBondContact NE2-OD2 3.4Å; Q130-D134 PolarHBondContact O-N 3.17Å |
| 131 | I | 95.9 | Very high | 93.9 | Very high | 39 Ų | 39 | 42.2 Ų | 42.2 | 20% | 0.2 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -55.7 | -42 | -179.8 | -66.8 | 166.5 | 0 | 0 | 0 | 111 | H19 E21 L22 K127 T128 T133 E135 | H19-I131 WeakPolarHBondContact ND1-CG2 3.22Å; E21-I131 HydrophobicContact CB-CG2 4.37Å; L22-I131 HydrophobicContact CD1-CG2 4.06Å; K127-I131 HydrophobicContact CG-CD1 4.09Å; K127-I131 WeakPolarHBondContact O-CG1 3.27Å; K127-I131 PolarHBondContact O-N 3.2Å; T128-I131 PolarHBondContact O-N 2.58Å; I131-T133 VanDerWaalsContact C-N 3.31Å; I131-T133 PolarHBondContact O-N 2.82Å; I131-E135 HydrophobicContact CG2-CG 4.04Å; I131-E135 VanDerWaalsContact O-CB 3.26Å; I131-E135 WeakPolarHBondContact O-CB 3.44Å; I131-E135 VanDerWaalsContact O-CG 3.31Å; I131-E135 WeakPolarHBondContact O-CG 3.23Å; I131-E135 PolarHBondContact O-N 3.42Å; I131-E135 VanDerWaalsContact O-N 3.09Å |
| 132 | W | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -73.7 | -16.2 | 177.2 | -86 | 92 | 0 | 0 | 0 | 115.3 | L22 S26 F28 L45 V47 L54 L105 T128 Q130 L136 | L22-W132 HydrophobicContact CB-CH2 4.21Å; L22-W132 HydrophobicContact CB-CZ2 4.28Å; L22-W132 HydrophobicContact CD1-CD2 3.75Å; L22-W132 HydrophobicContact CD1-CE3 4.16Å; L22-W132 HydrophobicContact CD1-CG 4.05Å; L22-W132 HydrophobicContact CD1-CZ2 4.2Å; L22-W132 HydrophobicContact CG-CD2 3.96Å; L22-W132 HydrophobicContact CG-CE3 3.88Å; L22-W132 HydrophobicContact CG-CH2 3.88Å; L22-W132 HydrophobicContact CG-CZ2 3.96Å; L22-W132 HydrophobicContact CG-CZ3 3.83Å; S26-W132 PolarHBondContact OG-NE1 3.02Å; F28-W132 AromaticContact CE2-CD1 3.91Å; F28-W132 AromaticContact CE2-CD2 3.97Å; F28-W132 HydrophobicContact CE2-CD2 3.97Å; F28-W132 AromaticContact CE2-CE2 3.97Å; F28-W132 AromaticContact CE2-CG 3.9Å; F28-W132 HydrophobicContact CE2-CG 3.9Å; F28-W132 AromaticContact CE2-NE1 3.92Å; F28-W132 HydrophobicContact CZ-CB 3.82Å; F28-W132 AromaticContact CZ-CD1 3.67Å; F28-W132 HydrophobicContact CZ-CD2 4.12Å; F28-W132 AromaticContact CZ-CG 3.58Å; F28-W132 HydrophobicContact CZ-CG 3.58Å; L45-W132 HydrophobicContact CB-CH2 4.08Å; L45-W132 HydrophobicContact CB-CZ2 4.43Å; L45-W132 HydrophobicContact CB-CZ3 4.33Å; L45-W132 HydrophobicContact CD2-CD2 4.3Å; L45-W132 HydrophobicContact CD2-CE3 3.6Å; L45-W132 HydrophobicContact CD2-CH2 4.1Å; L45-W132 HydrophobicContact CD2-CZ3 3.49Å; L45-W132 VanDerWaalsContact CD2-CZ3 3.49Å; L45-W132 HydrophobicContact CG-CE3 4.26Å; L45-W132 HydrophobicContact CG-CH2 3.84Å; L45-W132 HydrophobicContact CG-CZ3 3.64Å; L45-W132 VanDerWaalsContact O-CH2 3.32Å; L45-W132 WeakPolarHBondContact O-CH2 3.47Å; L45-W132 VanDerWaalsContact O-CZ2 3.24Å; L45-W132 WeakPolarHBondContact O-CZ2 3.18Å; V47-W132 HydrophobicContact CG2-CH2 4.13Å; V47-W132 HydrophobicContact CG2-CZ3 3.94Å; L54-W132 HydrophobicContact CD1-CH2 4.43Å; L54-W132 HydrophobicContact CD1-CZ3 3.72Å; L105-W132 HydrophobicContact CD2-CB 4.1Å; T128-W132 WeakPolarHBondContact O-CB 3.41Å; T128-W132 VanDerWaalsContact O-CD1 3.26Å; T128-W132 PolarHBondContact O-N 2.82Å; Q130-W132 VanDerWaalsContact C-N 3.25Å; Q130-W132 PolarHBondContact O-N 2.77Å; W132-L136 WeakPolarHBondContact O-CB 3.31Å |
| 133 | T | 96.1 | Very high | 93.9 | Very high | 10 Ų | 10 | 44.6 Ų | 44.6 | 6% | 0.061 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -79.4 | -56.2 | 170.7 | -53.4 | 0 | 0 | 0 | 0 | 108.7 | T75 K77 T129 Q130 I131 F137 | T75-T133 PolarHBondContact OG1-O 2.84Å; K77-T133 HydrophobicContact CB-CG2 4.16Å; T129-T133 PolarHBondContact O-N 3.25Å; T129-T133 PolarHBondContact O-OG1 2.88Å; Q130-T133 WeakPolarHBondContact O-CA 3.29Å; Q130-T133 WeakPolarHBondContact O-CB 3.5Å; Q130-T133 PolarHBondContact O-N 3.36Å; I131-T133 VanDerWaalsContact C-N 3.31Å; I131-T133 PolarHBondContact O-N 2.82Å; T133-F137 PolarHBondContact O-N 2.89Å |
| 134 | D | 95.3 | Very high | 94 | Very high | 77 Ų | 77 | 46.1 Ų | 46.1 | 41% | 0.412 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -71 | -52.9 | -168.5 | -51.6 | -27.7 | 0 | 0 | 0 | 111.9 | Q130 L136 F137 D138 | Q130-D134 WeakPolarHBondContact CG-OD2 3.24Å; Q130-D134 PolarHBondContact NE2-OD1 3.03Å; Q130-D134 PolarHBondContact NE2-OD2 3.4Å; Q130-D134 PolarHBondContact O-N 3.17Å; D134-L136 VanDerWaalsContact C-N 3.26Å; D134-L136 PolarHBondContact O-N 2.73Å; D134-F137 WeakPolarHBondContact O-CB 3.32Å; D134-F137 PolarHBondContact O-N 3.21Å; D134-F137 VanDerWaalsContact O-N 3.15Å; D134-D138 PolarHBondContact O-N 3.22Å |
| 135 | E | 96.3 | Very high | 94.2 | Very high | 60 Ų | 60 | 41.4 Ų | 41.4 | 28% | 0.28 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.2 | -31 | -177.4 | -63.3 | -79.9 | 167.9 | 0 | 0 | 112.1 | H19 L22 I131 L139 | H19-E135 HydrophobicContact CB-CB 4.36Å; H19-E135 HydrophobicContact CB-CG 3.81Å; H19-E135 WeakPolarHBondContact CB-OE2 3.34Å; H19-E135 IonicContact CD2-OE1 3.38Å; H19-E135 IonicContact CG-OE1 2.76Å; L22-E135 HydrophobicContact CD1-CB 4.29Å; L22-E135 HydrophobicContact CD2-CB 3.69Å; I131-E135 HydrophobicContact CG2-CG 4.04Å; I131-E135 VanDerWaalsContact O-CB 3.26Å; I131-E135 WeakPolarHBondContact O-CB 3.44Å; I131-E135 VanDerWaalsContact O-CG 3.31Å; I131-E135 WeakPolarHBondContact O-CG 3.23Å; I131-E135 PolarHBondContact O-N 3.42Å; I131-E135 VanDerWaalsContact O-N 3.09Å; E135-L139 WeakPolarHBondContact O-CB 3.49Å; E135-L139 WeakPolarHBondContact O-CD1 3.3Å; E135-L139 WeakPolarHBondContact O-CG 3.22Å; E135-L139 PolarHBondContact O-N 3.06Å |
| 136 | L | 96.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -74.4 | -34.4 | 178.2 | -173.3 | 64.2 | 0 | 0 | 0 | 111.7 | V47 L54 M69 I72 T75 I107 W132 D134 A140 | V47-L136 HydrophobicContact CG2-CD1 4.45Å; L54-L136 HydrophobicContact CD1-CD1 4.19Å; L54-L136 HydrophobicContact CD2-CD1 4.47Å; L54-L136 HydrophobicContact CD2-CD2 4.17Å; M69-L136 HydrophobicContact CE-CD1 3.78Å; M69-L136 HydrophobicContact SD-CD1 3.66Å; I72-L136 HydrophobicContact CD1-CD1 4.01Å; I72-L136 HydrophobicContact CD1-CD2 4.36Å; I72-L136 HydrophobicContact CD1-CG 4.27Å; T75-L136 HydrophobicContact CG2-CB 4.2Å; T75-L136 HydrophobicContact CG2-CD2 3.95Å; T75-L136 HydrophobicContact CG2-CG 4.09Å; I107-L136 HydrophobicContact CD1-CD2 3.63Å; I107-L136 HydrophobicContact CG1-CD2 3.93Å; I107-L136 HydrophobicContact CG2-CD2 4.26Å; W132-L136 WeakPolarHBondContact O-CB 3.31Å; D134-L136 VanDerWaalsContact C-N 3.26Å; D134-L136 PolarHBondContact O-N 2.73Å; L136-A140 WeakPolarHBondContact O-CB 3.25Å; L136-A140 PolarHBondContact O-N 3.26Å; L136-A140 VanDerWaalsContact O-N 3.08Å |
| 137 | F | 95.8 | Very high | 94.3 | Very high | 24 Ų | 24 | 37.3 Ų | 37.3 | 11% | 0.105 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.5 | -46.1 | 172.4 | -168.4 | -105.3 | 0 | 0 | 0 | 111.7 | T75 T133 D134 L139 A140 T141 L355 K402 | T75-F137 WeakPolarHBondContact OG1-CB 3Å; T133-F137 PolarHBondContact O-N 2.89Å; D134-F137 WeakPolarHBondContact O-CB 3.32Å; D134-F137 PolarHBondContact O-N 3.21Å; D134-F137 VanDerWaalsContact O-N 3.15Å; F137-L139 VanDerWaalsContact C-N 3.32Å; F137-L139 PolarHBondContact O-N 3.01Å; F137-A140 PolarHBondContact O-N 2.83Å; F137-T141 HydrophobicContact CD1-CG2 4.16Å; F137-T141 HydrophobicContact CD2-CG2 4.24Å; F137-T141 HydrophobicContact CE1-CG2 3.79Å; F137-T141 HydrophobicContact CE2-CG2 3.86Å; F137-T141 HydrophobicContact CG-CG2 4.37Å; F137-T141 HydrophobicContact CZ-CG2 3.62Å; F137-T141 WeakPolarHBondContact O-CB 3.5Å; F137-T141 WeakPolarHBondContact O-CG2 3.35Å; F137-T141 PolarHBondContact O-N 2.72Å; F137-T141 PolarHBondContact O-OG1 2.91Å; F137-L355 HydrophobicContact CE2-CD2 3.84Å; F137-L355 HydrophobicContact CZ-CD2 3.82Å; F137-K402 HydrophobicContact CE1-CB 4.21Å; F137-K402 HydrophobicContact CE2-CD 4.46Å; F137-K402 HydrophobicContact CZ-CB 3.85Å; F137-K402 HydrophobicContact CZ-CD 4.38Å |
| 138 | D | 94.6 | Very high | 94.2 | Very high | 98 Ų | 98 | 30.2 Ų | 30.2 | 52% | 0.524 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -59.4 | -41.6 | 176.6 | -90.7 | 21.9 | 0 | 0 | 0 | 111.4 | D134 N142 | D134-D138 PolarHBondContact O-N 3.22Å; D138-N142 VanDerWaalsContact O-CB 3.31Å; D138-N142 WeakPolarHBondContact O-CB 3.21Å; D138-N142 PolarHBondContact O-N 3.25Å |
| 139 | L | 95.5 | Very high | 94.2 | Very high | 5 Ų | 5 | 29.4 Ų | 29.4 | 3% | 0.026 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.5 | -38.9 | 176.5 | -72.7 | 171.4 | 0 | 0 | 0 | 113.5 | V16 V18 L22 V47 M69 E135 F137 | V16-L139 HydrophobicContact CG1-CD2 3.64Å; V18-L139 HydrophobicContact CG1-CD1 4.21Å; V18-L139 HydrophobicContact CG2-CD1 4.21Å; V18-L139 HydrophobicContact CG2-CD2 4.01Å; L22-L139 HydrophobicContact CD2-CD1 3.91Å; V47-L139 HydrophobicContact CG1-CD1 4.32Å; M69-L139 HydrophobicContact CE-CB 4.13Å; M69-L139 HydrophobicContact CE-CD1 4.24Å; M69-L139 HydrophobicContact CG-CB 4.34Å; M69-L139 HydrophobicContact SD-CB 3.93Å; E135-L139 WeakPolarHBondContact O-CB 3.49Å; E135-L139 WeakPolarHBondContact O-CD1 3.3Å; E135-L139 WeakPolarHBondContact O-CG 3.22Å; E135-L139 PolarHBondContact O-N 3.06Å; F137-L139 VanDerWaalsContact C-N 3.32Å; F137-L139 PolarHBondContact O-N 3.01Å |
| 140 | A | 94.6 | Very high | 94.2 | Very high | 6 Ų | 6 | 29.8 Ų | 29.8 | 5% | 0.05 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -71 | -41.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | M69 I72 L136 F137 | M69-A140 HydrophobicContact SD-CB 4.34Å; I72-A140 HydrophobicContact CB-CB 3.89Å; I72-A140 HydrophobicContact CG2-CB 3.98Å; L136-A140 WeakPolarHBondContact O-CB 3.25Å; L136-A140 PolarHBondContact O-N 3.26Å; L136-A140 VanDerWaalsContact O-N 3.08Å; F137-A140 PolarHBondContact O-N 2.83Å |
| 141 | T | 92.9 | Very high | 94.1 | Very high | 50 Ų | 50 | 28 Ų | 28 | 31% | 0.307 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -83.5 | -17.7 | -176.8 | 58 | 0 | 0 | 0 | 0 | 114 | F137 I143 | F137-T141 HydrophobicContact CD1-CG2 4.16Å; F137-T141 HydrophobicContact CD2-CG2 4.24Å; F137-T141 HydrophobicContact CE1-CG2 3.79Å; F137-T141 HydrophobicContact CE2-CG2 3.86Å; F137-T141 HydrophobicContact CG-CG2 4.37Å; F137-T141 HydrophobicContact CZ-CG2 3.62Å; F137-T141 WeakPolarHBondContact O-CB 3.5Å; F137-T141 WeakPolarHBondContact O-CG2 3.35Å; F137-T141 PolarHBondContact O-N 2.72Å; F137-T141 PolarHBondContact O-OG1 2.91Å; T141-I143 PolarHBondContact O-N 2.95Å; T141-I143 VanDerWaalsContact O-N 3.13Å |
| 142 | N | 94.1 | Very high | 94 | Very high | 27 Ų | 27 | 27.8 Ų | 27.8 | 14% | 0.144 | 14% | 0.142 | C | C | . | . | trans | -48.1 | 115.8 | -173.5 | -172.8 | -82.2 | 0 | 0 | 0 | 114 | K14 V16 D138 L144 S145 R146 | K14-N142 PolarHBondContact O-ND2 3.46Å; V16-N142 HydrophobicContact CG2-CB 4.48Å; D138-N142 VanDerWaalsContact O-CB 3.31Å; D138-N142 WeakPolarHBondContact O-CB 3.21Å; D138-N142 PolarHBondContact O-N 3.25Å; N142-L144 VanDerWaalsContact C-N 3.32Å; N142-L144 PolarHBondContact O-N 3.44Å; N142-L144 WeakPolarHBondContact OD1-CA 3.4Å; N142-L144 WeakPolarHBondContact OD1-CB 3.44Å; N142-L144 PolarHBondContact OD1-N 3.45Å; N142-L144 VanDerWaalsContact OD1-N 3.07Å; N142-S145 VanDerWaalsContact O-CB 3.3Å; N142-S145 WeakPolarHBondContact O-CB 3.36Å; N142-S145 PolarHBondContact O-N 3.13Å; N142-S145 VanDerWaalsContact O-N 3.13Å; N142-S145 PolarHBondContact OD1-N 3.03Å; N142-R146 PolarHBondContact O-N 3.23Å; N142-R146 VanDerWaalsContact O-N 3.13Å | ||
| 143 | I | 92.8 | Very high | 93.9 | Very high | 35 Ų | 35 | 27.9 Ų | 27.9 | 18% | 0.179 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60.8 | -37.5 | -175.5 | -65.9 | 171.5 | 0 | 0 | 0 | 112.1 | L13 T141 R146 N147 L313 | L13-I143 HydrophobicContact CD1-CG2 4.05Å; L13-I143 HydrophobicContact CD2-CB 4.12Å; L13-I143 HydrophobicContact CD2-CD1 3.9Å; L13-I143 HydrophobicContact CD2-CG2 4.31Å; T141-I143 PolarHBondContact O-N 2.95Å; T141-I143 VanDerWaalsContact O-N 3.13Å; I143-R146 PolarHBondContact O-N 3.16Å; I143-N147 WeakPolarHBondContact O-CB 3.44Å; I143-N147 PolarHBondContact O-N 2.58Å; I143-N147 PolarHBondContact O-ND2 3.35Å; I143-L313 HydrophobicContact CG2-CB 3.86Å |
| 144 | L | 92.1 | Very high | 93.9 | Very high | 36 Ų | 36 | 28.1 Ų | 28.1 | 19% | 0.188 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -71.5 | -35.1 | 177.9 | -61.5 | -179.3 | 0 | 0 | 0 | 112.1 | L13 N142 N147 S148 L310 | L13-L144 HydrophobicContact CB-CD1 4.01Å; L13-L144 HydrophobicContact CB-CD2 4.1Å; L13-L144 HydrophobicContact CB-CG 3.96Å; L13-L144 HydrophobicContact CD1-CD2 3.69Å; L13-L144 HydrophobicContact CD1-CG 4.26Å; N142-L144 VanDerWaalsContact C-N 3.32Å; N142-L144 PolarHBondContact O-N 3.44Å; N142-L144 WeakPolarHBondContact OD1-CA 3.4Å; N142-L144 WeakPolarHBondContact OD1-CB 3.44Å; N142-L144 PolarHBondContact OD1-N 3.45Å; N142-L144 VanDerWaalsContact OD1-N 3.07Å; L144-N147 CarbonylContact O-C 3.5Å; L144-N147 PolarHBondContact O-N 3Å; L144-S148 VanDerWaalsContact O-CA 3.31Å; L144-S148 WeakPolarHBondContact O-CA 3.14Å; L144-S148 WeakPolarHBondContact O-CB 3.41Å; L144-S148 PolarHBondContact O-N 3.49Å; L144-L310 HydrophobicContact CD2-CD1 4.32Å; L144-L310 HydrophobicContact CD2-CD2 3.88Å |
| 145 | S | 91.9 | Very high | 93.9 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.014 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.7 | -50.3 | 171.6 | -172.6 | 0 | 0 | 0 | 0 | 110.7 | W70 N142 N147 S148 | W70-S145 PolarHBondContact NE1-OG 2.8Å; N142-S145 VanDerWaalsContact O-CB 3.3Å; N142-S145 WeakPolarHBondContact O-CB 3.36Å; N142-S145 PolarHBondContact O-N 3.13Å; N142-S145 VanDerWaalsContact O-N 3.13Å; N142-S145 PolarHBondContact OD1-N 3.03Å; S145-N147 VanDerWaalsContact C-N 3.32Å; S145-N147 PolarHBondContact O-N 3.45Å; S145-S148 VanDerWaalsContact O-CB 3.32Å; S145-S148 WeakPolarHBondContact O-CB 3.45Å; S145-S148 PolarHBondContact O-N 2.79Å; S145-S148 PolarHBondContact O-OG 3.02Å |
| 146 | R | 91.1 | Very high | 93.9 | Very high | 52 Ų | 52 | 24 Ų | 24 | 20% | 0.196 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -69.4 | -25.5 | -179.6 | -63.2 | 176.8 | 72 | 179.3 | 2.1 | 113.2 | N142 I143 R796 P802 | N142-R146 PolarHBondContact O-N 3.23Å; N142-R146 VanDerWaalsContact O-N 3.13Å; I143-R146 PolarHBondContact O-N 3.16Å; R146-R796 PolarHBondContact O-NH2 2.9Å; R146-P802 HydrophobicContact CB-CG 4.28Å; R146-P802 WeakPolarHBondContact O-CG 3.33Å |
| 147 | N | 92.6 | Very high | 93.8 | Very high | 13 Ų | 13 | 24 Ų | 24 | 7% | 0.07 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | 20.4 | 177.8 | -71.6 | -83.8 | 0 | 0 | 0 | 113.9 | I143 L144 S145 N306 L313 E661 R779 R796 | I143-N147 WeakPolarHBondContact O-CB 3.44Å; I143-N147 PolarHBondContact O-N 2.58Å; I143-N147 PolarHBondContact O-ND2 3.35Å; L144-N147 CarbonylContact O-C 3.5Å; L144-N147 PolarHBondContact O-N 3Å; S145-N147 VanDerWaalsContact C-N 3.32Å; S145-N147 PolarHBondContact O-N 3.45Å; N147-N306 PolarHBondContact O-ND2 2.82Å; N147-L313 HydrophobicContact CB-CD1 3.53Å; N147-L313 VanDerWaalsContact CG-CD1 3.46Å; N147-E661 PolarHBondContact ND2-OE1 3.12Å; N147-E661 PolarHBondContact OD1-OE1 3.17Å; N147-R779 PolarHBondContact OD1-NH2 3.28Å; N147-R796 PolarHBondContact ND2-NH2 3.36Å; N147-R796 PolarHBondContact OD1-NH2 2.81Å |
| 148 | S | 91.9 | Very high | 93.7 | Very high | 8 Ų | 8 | 24.2 Ų | 24.2 | 6% | 0.056 | 12% | 0.122 | C | C | . | . | trans | -67.5 | 159 | -173.4 | 57.6 | 0 | 0 | 0 | 0 | 114 | L144 S145 H153 N794 | L144-S148 VanDerWaalsContact O-CA 3.31Å; L144-S148 WeakPolarHBondContact O-CA 3.14Å; L144-S148 WeakPolarHBondContact O-CB 3.41Å; L144-S148 PolarHBondContact O-N 3.49Å; S145-S148 VanDerWaalsContact O-CB 3.32Å; S145-S148 WeakPolarHBondContact O-CB 3.45Å; S145-S148 PolarHBondContact O-N 2.79Å; S145-S148 PolarHBondContact O-OG 3.02Å; S148-H153 PolarHBondContact O-CE1 3.09Å; S148-H153 PolarHBondContact O-ND1 2.84Å; S148-H153 PolarHBondContact OG-CE1 3.1Å; S148-H153 VanDerWaalsContact OG-CE1 3.3Å; S148-H153 PolarHBondContact OG-ND1 3.48Å; S148-N794 PolarHBondContact O-ND2 2.9Å; S148-N794 VanDerWaalsContact O-ND2 3.1Å | ||
| 149 | S | 92.7 | Very high | 93.7 | Very high | 3 Ų | 3 | 20.5 Ų | 20.5 | 2% | 0.021 | 10% | 0.103 | C | C | . | . | trans | -61.2 | 165.1 | -176.4 | 61.7 | 0 | 0 | 0 | 0 | 114.3 | N151 R152 H153 S302 E303 | S149-N151 VanDerWaalsContact C-N 3.29Å; S149-N151 PolarHBondContact O-N 3.02Å; S149-R152 PolarHBondContact O-N 3.3Å; S149-R152 WeakPolarHBondContact OG-CB 3.42Å; S149-R152 PolarHBondContact OG-N 3.31Å; S149-R152 VanDerWaalsContact OG-N 3.11Å; S149-H153 PolarHBondContact O-N 2.9Å; S149-H153 VanDerWaalsContact O-N 3.09Å; S149-H153 PolarHBondContact O-ND1 3.45Å; S149-S302 WeakPolarHBondContact CB-O 3.49Å; S149-E303 VanDerWaalsContact OG-CG 3.32Å; S149-E303 WeakPolarHBondContact OG-CG 3.49Å | ||
| 150 | R | 93.6 | Very high | 93.6 | Very high | 9 Ų | 9 | 22.9 Ų | 22.9 | 3% | 0.034 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.8 | -42 | 170.4 | 179.8 | 55.1 | -178.5 | 179.7 | -7.2 | 111.9 | R152 H153 L154 N301 Y792 N794 M805 S807 | R150-R152 VanDerWaalsContact C-N 3.34Å; R150-R152 PolarHBondContact O-N 2.84Å; R150-H153 PolarHBondContact O-N 3.34Å; R150-L154 WeakPolarHBondContact O-CG 3.33Å; R150-L154 PolarHBondContact O-N 3.39Å; R150-L154 VanDerWaalsContact O-N 3.13Å; R150-N301 HydrophobicContact CB-CB 4.38Å; R150-N301 HydrophobicContact CG-CB 4.48Å; R150-N301 WeakPolarHBondContact CG-OD1 3.05Å; R150-Y792 HydrophobicContact CB-CD2 4.22Å; R150-Y792 HydrophobicContact CB-CG 4.07Å; R150-Y792 HydrophobicContact CG-CD1 4.29Å; R150-Y792 HydrophobicContact CG-CD2 4.31Å; R150-Y792 HydrophobicContact CG-CG 4.1Å; R150-N794 WeakPolarHBondContact CD-OD1 3.32Å; R150-M805 VanDerWaalsContact CZ-O 3.23Å; R150-M805 VanDerWaalsContact NH1-C 3.29Å; R150-M805 PolarHBondContact NH1-O 2.93Å; R150-M805 PolarHBondContact NH2-O 2.6Å; R150-S807 PolarHBondContact NE-OG 2.97Å; R150-S807 PolarHBondContact NH1-OG 3.32Å; R150-S807 PolarHBondContact NH2-OG 3.22Å |
| 151 | N | 93.3 | Very high | 93.4 | Very high | 33 Ų | 33 | 22.6 Ų | 22.6 | 18% | 0.176 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -57.6 | -46.7 | 175.2 | -167.5 | -56.5 | 0 | 0 | 0 | 111.2 | S149 H153 L154 Q155 W210 N301 | S149-N151 VanDerWaalsContact C-N 3.29Å; S149-N151 PolarHBondContact O-N 3.02Å; N151-H153 VanDerWaalsContact C-N 3.32Å; N151-H153 PolarHBondContact O-N 3.24Å; N151-L154 CarbonylContact O-C 3.45Å; N151-L154 WeakPolarHBondContact O-CA 3.22Å; N151-L154 WeakPolarHBondContact O-CB 3.25Å; N151-L154 PolarHBondContact O-N 2.9Å; N151-Q155 WeakPolarHBondContact O-CG 3.24Å; N151-Q155 PolarHBondContact O-N 3.48Å; N151-Q155 PolarHBondContact OD1-NE2 2.76Å; N151-Q155 VanDerWaalsContact OD1-NE2 3.08Å; N151-W210 WeakPolarHBondContact OD1-CZ2 3.45Å; N151-N301 HydrophobicContact CB-CB 4.4Å; N151-N301 WeakPolarHBondContact CB-O 3.4Å; N151-N301 PolarHBondContact N-O 3.06Å |
| 152 | R | 93.6 | Very high | 93.3 | Very high | 35 Ų | 35 | 23.5 Ų | 23.5 | 13% | 0.132 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -66.9 | -29.2 | -179.5 | -164.1 | 154.3 | -175.8 | 74.9 | -3.1 | 113.5 | N50 F52 S149 R150 Q155 K156 | N50-R152 PolarHBondContact O-NH2 2.93Å; N50-R152 PolarHBondContact OD1-NH1 3.03Å; N50-R152 PolarHBondContact OD1-NH2 2.78Å; N50-R152 VanDerWaalsContact OD1-NH2 3.13Å; F52-R152 HydrophobicContact CE1-CG 3.76Å; F52-R152 HydrophobicContact CZ-CG 3.72Å; S149-R152 PolarHBondContact O-N 3.3Å; S149-R152 WeakPolarHBondContact OG-CB 3.42Å; S149-R152 PolarHBondContact OG-N 3.31Å; S149-R152 VanDerWaalsContact OG-N 3.11Å; R150-R152 VanDerWaalsContact C-N 3.34Å; R150-R152 PolarHBondContact O-N 2.84Å; R152-Q155 PolarHBondContact O-N 2.88Å; R152-K156 PolarHBondContact O-N 2.93Å |
| 153 | H | 95 | Very high | 93 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.009 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -66.7 | -39 | 168.9 | -74.7 | 60.9 | 0 | 0 | 0 | 112.3 | W70 S148 S149 R150 N151 K156 A157 N794 L803 | W70-H153 AromaticContact CH2-CD2 3.76Å; W70-H153 AromaticContact CH2-CE1 3.9Å; W70-H153 AromaticContact CH2-NE2 3.57Å; S148-H153 PolarHBondContact O-CE1 3.09Å; S148-H153 PolarHBondContact O-ND1 2.84Å; S148-H153 PolarHBondContact OG-CE1 3.1Å; S148-H153 VanDerWaalsContact OG-CE1 3.3Å; S148-H153 PolarHBondContact OG-ND1 3.48Å; S149-H153 PolarHBondContact O-N 2.9Å; S149-H153 VanDerWaalsContact O-N 3.09Å; S149-H153 PolarHBondContact O-ND1 3.45Å; R150-H153 PolarHBondContact O-N 3.34Å; N151-H153 VanDerWaalsContact C-N 3.32Å; N151-H153 PolarHBondContact O-N 3.24Å; H153-K156 WeakPolarHBondContact O-CB 3Å; H153-K156 PolarHBondContact O-N 3.08Å; H153-A157 PolarHBondContact O-N 3.45Å; H153-N794 PolarHBondContact CE1-ND2 2.89Å; H153-N794 VanDerWaalsContact CE1-ND2 3.32Å; H153-N794 PolarHBondContact ND1-ND2 3.07Å; H153-L803 PolarHBondContact CD2-O 2.89Å |
| 154 | L | 95.1 | Very high | 92.6 | Very high | 16 Ų | 16 | 25.4 Ų | 25.4 | 8% | 0.084 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -69.7 | -37.4 | 173.8 | -61.7 | 175.9 | 0 | 0 | 0 | 112.2 | R150 N151 K156 A157 Y158 W210 L217 F707 | R150-L154 WeakPolarHBondContact O-CG 3.33Å; R150-L154 PolarHBondContact O-N 3.39Å; R150-L154 VanDerWaalsContact O-N 3.13Å; N151-L154 CarbonylContact O-C 3.45Å; N151-L154 WeakPolarHBondContact O-CA 3.22Å; N151-L154 WeakPolarHBondContact O-CB 3.25Å; N151-L154 PolarHBondContact O-N 2.9Å; L154-K156 VanDerWaalsContact C-N 3.28Å; L154-K156 PolarHBondContact O-N 3.43Å; L154-A157 PolarHBondContact O-N 2.81Å; L154-Y158 PolarHBondContact O-N 2.9Å; L154-W210 HydrophobicContact CB-CH2 4.13Å; L154-L217 HydrophobicContact CD1-CD1 4.09Å; L154-L217 HydrophobicContact CD2-CD1 3.95Å; L154-L217 HydrophobicContact CG-CD1 4.41Å; L154-F707 HydrophobicContact CD2-CE2 4.34Å |
| 155 | Q | 95.4 | Very high | 91.9 | Very high | 49 Ų | 49 | 24.8 Ų | 24.8 | 23% | 0.229 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.3 | -41.4 | 169.6 | -68.3 | 173.6 | -6.2 | 0 | 0 | 111.1 | F52 N151 R152 Y158 T159 W210 | F52-Q155 HydrophobicContact CE2-CB 4Å; F52-Q155 HydrophobicContact CZ-CB 4.03Å; N151-Q155 WeakPolarHBondContact O-CG 3.24Å; N151-Q155 PolarHBondContact O-N 3.48Å; N151-Q155 PolarHBondContact OD1-NE2 2.76Å; N151-Q155 VanDerWaalsContact OD1-NE2 3.08Å; R152-Q155 PolarHBondContact O-N 2.88Å; Q155-Y158 WeakPolarHBondContact O-CB 3.38Å; Q155-Y158 PolarHBondContact O-N 3.25Å; Q155-T159 PolarHBondContact O-N 2.91Å; Q155-T159 PolarHBondContact O-OG1 2.94Å; Q155-T159 VanDerWaalsContact O-OG1 3.08Å; Q155-W210 HydrophobicContact CB-CH2 4.24Å; Q155-W210 HydrophobicContact CB-CZ3 4.32Å; Q155-W210 HydrophobicContact CG-CE3 4.49Å; Q155-W210 HydrophobicContact CG-CH2 3.45Å; Q155-W210 VanDerWaalsContact CG-CH2 3.45Å; Q155-W210 HydrophobicContact CG-CZ2 3.72Å; Q155-W210 HydrophobicContact CG-CZ3 3.88Å |
| 156 | K | 95.8 | Very high | 91 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.3 | -42.6 | 175.9 | -173.3 | 164.7 | -179.1 | 172.7 | 0 | 112.3 | F52 Y53 D68 W70 R152 H153 L154 Y158 T159 K160 L804 | F52-K156 HydrophobicContact CB-CD 3.98Å; F52-K156 HydrophobicContact CB-CG 3.84Å; F52-K156 HydrophobicContact CD1-CB 4.05Å; F52-K156 HydrophobicContact CD1-CD 3.86Å; F52-K156 HydrophobicContact CD1-CG 4.04Å; F52-K156 HydrophobicContact CD2-CB 3.93Å; F52-K156 HydrophobicContact CD2-CG 4.09Å; F52-K156 HydrophobicContact CE1-CB 4.12Å; F52-K156 HydrophobicContact CE2-CB 4Å; F52-K156 HydrophobicContact CG-CB 3.95Å; F52-K156 HydrophobicContact CG-CD 3.98Å; F52-K156 HydrophobicContact CG-CG 3.75Å; F52-K156 HydrophobicContact CZ-CB 4.09Å; F52-K156 WeakPolarHBondContact O-CE 3.44Å; Y53-K156 HydrophobicContact CE2-CD 4.39Å; Y53-K156 HydrophobicContact CE2-CG 3.59Å; Y53-K156 VanDerWaalsContact OH-CE 3.22Å; Y53-K156 WeakPolarHBondContact OH-CE 3.4Å; D68-K156 WeakPolarHBondContact OD1-CE 3.49Å; D68-K156 IonicContact OD1-NZ 2.68Å; D68-K156 PolarHBondContact OD1-NZ 2.85Å; D68-K156 VanDerWaalsContact OD2-CE 3.31Å; D68-K156 WeakPolarHBondContact OD2-CE 3.33Å; D68-K156 IonicContact OD2-NZ 3.55Å; W70-K156 VanDerWaalsContact CE2-NZ 3.27Å; W70-K156 HydrophobicContact CE3-CD 4.3Å; W70-K156 HydrophobicContact CH2-CD 3.57Å; W70-K156 HydrophobicContact CZ2-CD 3.83Å; W70-K156 HydrophobicContact CZ3-CD 3.81Å; R152-K156 PolarHBondContact O-N 2.93Å; H153-K156 WeakPolarHBondContact O-CB 3Å; H153-K156 PolarHBondContact O-N 3.08Å; L154-K156 VanDerWaalsContact C-N 3.28Å; L154-K156 PolarHBondContact O-N 3.43Å; K156-Y158 PolarHBondContact O-N 3.02Å; K156-T159 PolarHBondContact O-N 3.47Å; K156-K160 WeakPolarHBondContact O-CB 3.39Å; K156-K160 PolarHBondContact O-N 2.75Å; K156-L804 HydrophobicContact CB-CD1 4.07Å; K156-L804 HydrophobicContact CD-CD1 4.05Å; K156-L804 HydrophobicContact CG-CD1 3.64Å |
| 157 | A | 95.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.1 | -39.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | H153 L154 K160 L161 L804 M805 | H153-A157 PolarHBondContact O-N 3.45Å; L154-A157 PolarHBondContact O-N 2.81Å; A157-K160 PolarHBondContact O-N 3.4Å; A157-L161 PolarHBondContact O-N 2.71Å; A157-L161 VanDerWaalsContact O-N 3.1Å; A157-L804 HydrophobicContact CB-CD1 4.49Å; A157-L804 HydrophobicContact CB-CG 4.41Å; A157-M805 HydrophobicContact CB-CG 3.89Å; A157-M805 HydrophobicContact CB-SD 3.61Å |
| 158 | Y | 94.9 | Very high | 88.7 | Confident | 30 Ų | 30 | 37.5 Ų | 37.5 | 12% | 0.118 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.8 | -50.7 | 172.9 | 171.8 | -104.7 | 0 | 0 | 0 | 112.3 | L154 Q155 K156 K160 L161 K162 L208 T209 W210 F213 | L154-Y158 PolarHBondContact O-N 2.9Å; Q155-Y158 WeakPolarHBondContact O-CB 3.38Å; Q155-Y158 PolarHBondContact O-N 3.25Å; K156-Y158 PolarHBondContact O-N 3.02Å; Y158-K160 VanDerWaalsContact C-N 3.29Å; Y158-K160 PolarHBondContact O-N 2.77Å; Y158-L161 WeakPolarHBondContact O-CB 3.45Å; Y158-L161 PolarHBondContact O-N 2.92Å; Y158-K162 HydrophobicContact CE1-CD 3.87Å; Y158-K162 HydrophobicContact CE1-CG 4.41Å; Y158-K162 HydrophobicContact CE2-CD 4.31Å; Y158-K162 HydrophobicContact CE2-CG 4.41Å; Y158-K162 PolarHBondContact O-N 2.77Å; Y158-K162 VanDerWaalsContact O-N 3.09Å; Y158-K162 WeakPolarHBondContact OH-CD 3.46Å; Y158-K162 WeakPolarHBondContact OH-CE 3.46Å; Y158-K162 PolarHBondContact OH-NZ 3.29Å; Y158-L208 HydrophobicContact CD2-CD2 4.2Å; Y158-L208 HydrophobicContact CE2-CD2 3.97Å; Y158-L208 HydrophobicContact CE2-CG 4.01Å; Y158-L208 WeakPolarHBondContact CE2-O 3.3Å; Y158-L208 PolarHBondContact OH-O 2.71Å; Y158-T209 WeakPolarHBondContact CE2-O 3.46Å; Y158-W210 HydrophobicContact CD1-CE3 4.03Å; Y158-W210 HydrophobicContact CD2-CE3 4.34Å; Y158-W210 HydrophobicContact CE1-CB 4.49Å; Y158-W210 AromaticContact CG-CE3 3.88Å; Y158-W210 HydrophobicContact CG-CE3 3.88Å; Y158-W210 HydrophobicContact CG-CZ3 4.29Å; Y158-W210 PolarHBondContact OH-N 2.83Å; Y158-F213 HydrophobicContact CD2-CB 3.58Å; Y158-F213 AromaticContact CD2-CD1 3.96Å; Y158-F213 HydrophobicContact CD2-CD1 3.96Å; Y158-F213 HydrophobicContact CD2-CD2 4.1Å; Y158-F213 AromaticContact CD2-CG 3.61Å; Y158-F213 HydrophobicContact CD2-CG 3.61Å; Y158-F213 HydrophobicContact CE2-CB 3.95Å; Y158-F213 HydrophobicContact CE2-CG 4.45Å; Y158-F213 HydrophobicContact CG-CD1 4.23Å; Y158-F213 HydrophobicContact CG-CG 4.33Å |
| 159 | T | 94.3 | Very high | 88 | Confident | 20 Ų | 20 | 38.4 Ų | 38.4 | 12% | 0.123 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58 | -43.5 | 175.9 | -59 | 0 | 0 | 0 | 0 | 110.9 | D48 F52 Y53 Q155 K156 L161 K162 L163 | D48-T159 HydrophobicContact CB-CG2 4.14Å; F52-T159 HydrophobicContact CD2-CG2 4.28Å; Y53-T159 HydrophobicContact CD2-CG2 4.23Å; Q155-T159 PolarHBondContact O-N 2.91Å; Q155-T159 PolarHBondContact O-OG1 2.94Å; Q155-T159 VanDerWaalsContact O-OG1 3.08Å; K156-T159 PolarHBondContact O-N 3.47Å; T159-L161 VanDerWaalsContact C-N 3.28Å; T159-L161 PolarHBondContact O-N 3.05Å; T159-K162 PolarHBondContact O-N 2.7Å; T159-K162 VanDerWaalsContact O-N 3.13Å; T159-L163 HydrophobicContact CG2-CD1 4.04Å; T159-L163 HydrophobicContact CG2-CG 4.28Å; T159-L163 WeakPolarHBondContact O-CG 3.29Å; T159-L163 PolarHBondContact O-N 3.22Å |
| 160 | K | 92.8 | Very high | 87.6 | Confident | 54 Ų | 54 | 42.9 Ų | 42.9 | 24% | 0.235 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.3 | -39.6 | 175.5 | -163.9 | 173.6 | -159.2 | 150.5 | 0 | 112.1 | Y53 D68 K156 A157 Y158 H164 L804 | Y53-K160 HydrophobicContact CE1-CD 4.38Å; Y53-K160 HydrophobicContact CE1-CG 4.48Å; Y53-K160 HydrophobicContact CE2-CB 3.72Å; Y53-K160 HydrophobicContact CE2-CG 4.18Å; D68-K160 IonicContact OD2-NZ 3.54Å; K156-K160 WeakPolarHBondContact O-CB 3.39Å; K156-K160 PolarHBondContact O-N 2.75Å; A157-K160 PolarHBondContact O-N 3.4Å; Y158-K160 VanDerWaalsContact C-N 3.29Å; Y158-K160 PolarHBondContact O-N 2.77Å; K160-H164 PolarHBondContact O-N 3.31Å; K160-H164 PolarHBondContact O-ND1 3.25Å; K160-L804 HydrophobicContact CD-CD2 3.8Å |
| 161 | L | 90.6 | Very high | 87.3 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.2 | -43.4 | 175.6 | -78.4 | 165.7 | 0 | 0 | 0 | 112.3 | A157 Y158 T159 L163 H164 I171 H175 F176 L179 F213 | A157-L161 PolarHBondContact O-N 2.71Å; A157-L161 VanDerWaalsContact O-N 3.1Å; Y158-L161 WeakPolarHBondContact O-CB 3.45Å; Y158-L161 PolarHBondContact O-N 2.92Å; T159-L161 VanDerWaalsContact C-N 3.28Å; T159-L161 PolarHBondContact O-N 3.05Å; L161-L163 PolarHBondContact O-N 2.98Å; L161-H164 PolarHBondContact O-N 3.36Å; L161-I171 HydrophobicContact CD2-CG2 4.46Å; L161-I171 WeakPolarHBondContact O-CG2 3.47Å; L161-H175 HydrophobicContact CD2-CB 4.01Å; L161-F176 HydrophobicContact CD1-CD1 3.98Å; L161-F176 HydrophobicContact CD1-CE1 3.64Å; L161-F176 HydrophobicContact CD1-CE2 4.5Å; L161-F176 HydrophobicContact CD1-CZ 3.93Å; L161-F176 HydrophobicContact CD2-CD1 4.24Å; L161-F176 HydrophobicContact CD2-CD2 3.82Å; L161-F176 HydrophobicContact CD2-CE1 4.35Å; L161-F176 HydrophobicContact CD2-CE2 3.94Å; L161-F176 HydrophobicContact CD2-CG 3.98Å; L161-F176 HydrophobicContact CD2-CZ 4.21Å; L161-L179 HydrophobicContact CD1-CD1 3.81Å; L161-L179 HydrophobicContact CD2-CD1 3.74Å; L161-L179 HydrophobicContact CG-CD1 3.67Å; L161-F213 HydrophobicContact CD1-CD2 4.32Å; L161-F213 HydrophobicContact CD1-CE2 3.69Å |
| 162 | K | 89.8 | Confident | 86.9 | Confident | 68 Ų | 68 | 41.7 Ų | 41.7 | 30% | 0.296 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.4 | -38.1 | 177.6 | -61.5 | -156.7 | 114.7 | 170.8 | 0 | 112.9 | Y158 T159 H164 G165 T205 L208 | Y158-K162 HydrophobicContact CE1-CD 3.87Å; Y158-K162 HydrophobicContact CE1-CG 4.41Å; Y158-K162 HydrophobicContact CE2-CD 4.31Å; Y158-K162 HydrophobicContact CE2-CG 4.41Å; Y158-K162 PolarHBondContact O-N 2.77Å; Y158-K162 VanDerWaalsContact O-N 3.09Å; Y158-K162 WeakPolarHBondContact OH-CD 3.46Å; Y158-K162 WeakPolarHBondContact OH-CE 3.46Å; Y158-K162 PolarHBondContact OH-NZ 3.29Å; T159-K162 PolarHBondContact O-N 2.7Å; T159-K162 VanDerWaalsContact O-N 3.13Å; K162-H164 PolarHBondContact O-N 2.89Å; K162-G165 PolarHBondContact O-N 2.81Å; K162-T205 WeakPolarHBondContact CE-O 3.49Å; K162-T205 PolarHBondContact NZ-O 3.11Å; K162-L208 WeakPolarHBondContact CE-O 3.03Å; K162-L208 PolarHBondContact NZ-O 2.81Å |
| 163 | L | 88.3 | Confident | 86.5 | Confident | 46 Ų | 46 | 40.3 Ų | 40.3 | 24% | 0.241 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.9 | -19.4 | 178.1 | -67.3 | 177.5 | 0 | 0 | 0 | 113.6 | Y53 T55 I66 T159 L161 G165 | Y53-L163 HydrophobicContact CD2-CD1 3.92Å; Y53-L163 HydrophobicContact CG-CD1 3.86Å; T55-L163 HydrophobicContact CG2-CD1 3.93Å; T55-L163 HydrophobicContact CG2-CD2 4.14Å; I66-L163 HydrophobicContact CD1-CB 3.7Å; I66-L163 HydrophobicContact CG1-CB 4.32Å; I66-L163 HydrophobicContact CG2-CD1 4.39Å; T159-L163 HydrophobicContact CG2-CD1 4.04Å; T159-L163 HydrophobicContact CG2-CG 4.28Å; T159-L163 WeakPolarHBondContact O-CG 3.29Å; T159-L163 PolarHBondContact O-N 3.22Å; L161-L163 PolarHBondContact O-N 2.98Å; L163-G165 PolarHBondContact O-N 2.58Å |
| 164 | H | 84.6 | Confident | 86 | Confident | 56 Ų | 56 | 46.8 Ų | 46.8 | 26% | 0.259 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 19.1 | 168.5 | -68.7 | 95.5 | 0 | 0 | 0 | 113 | K160 L161 K162 P172 H175 | K160-H164 PolarHBondContact O-N 3.31Å; K160-H164 PolarHBondContact O-ND1 3.25Å; L161-H164 PolarHBondContact O-N 3.36Å; K162-H164 PolarHBondContact O-N 2.89Å; H164-P172 WeakPolarHBondContact O-CD 3.28Å; H164-H175 AromaticContact CD2-CE1 3.07Å; H164-H175 PolarHBondContact CD2-CE1 3.22Å; H164-H175 AromaticContact CD2-ND1 3.2Å; H164-H175 PolarHBondContact CD2-ND1 2.79Å; H164-H175 AromaticContact CD2-NE2 3.9Å; H164-H175 AromaticContact CG-CE1 3.64Å; H164-H175 AromaticContact CG-CG 3.94Å; H164-H175 AromaticContact CG-ND1 3.44Å; H164-H175 AromaticContact ND1-ND1 4Å; H164-H175 AromaticContact NE2-CE1 3.73Å; H164-H175 AromaticContact NE2-ND1 3.6Å |
| 165 | G | 77.4 | Confident | 85.6 | Confident | 24 Ų | 24 | 47.7 Ų | 47.7 | 25% | 0.247 | 24% | 0.242 | C | C | . | . | trans | -70.3 | 127 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | K162 L163 R170 | K162-G165 PolarHBondContact O-N 2.81Å; L163-G165 PolarHBondContact O-N 2.58Å; G165-R170 WeakPolarHBondContact CA-O 3.14Å | ||
| 166 | N | 73 | Confident | 85.2 | Confident | 74 Ų | 74 | 45.4 Ų | 45.4 | 40% | 0.396 | 23% | 0.231 | S | C | . | . | B | Isolated β-bridge | trans | -63.6 | 164.2 | 168.8 | -68 | 14.9 | 0 | 0 | 0 | 110.8 | D168 G169 R170 P172 | N166-D168 PolarHBondContact O-N 3.31Å; N166-G169 PolarHBondContact O-N 3.17Å; N166-R170 PolarHBondContact N-O 3.5Å; N166-P172 WeakPolarHBondContact OD1-CG 3.46Å |
| 167 | L | 66.6 | Low | 84.8 | Confident | 127 Ų | 127 | 46.5 Ų | 46.5 | 67% | 0.665 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | -27.1 | 174.8 | -66.9 | 176.3 | 0 | 0 | 0 | 114.7 | Q62 G169 | Q62-L167 HydrophobicContact CB-CD1 3.92Å; Q62-L167 HydrophobicContact CB-CG 4.48Å; Q62-L167 HydrophobicContact CG-CD1 3.7Å; L167-G169 PolarHBondContact O-N 3.42Å; L167-G169 VanDerWaalsContact O-N 3.16Å |
| 168 | D | 69.4 | Low | 84.4 | Confident | 132 Ų | 132 | 54.2 Ų | 54.2 | 71% | 0.706 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | 6.3 | 174.1 | -52.6 | -63.1 | 0 | 0 | 0 | 114.1 | N166 | N166-D168 PolarHBondContact O-N 3.31Š|
| 169 | G | 76.6 | Confident | 84 | Confident | 28 Ų | 28 | 54.6 Ų | 54.6 | 29% | 0.289 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.7 | 30.8 | -176 | 0 | 0 | 0 | 0 | 0 | 113.5 | N166 L167 K204 T205 | N166-G169 PolarHBondContact O-N 3.17Å; L167-G169 PolarHBondContact O-N 3.42Å; L167-G169 VanDerWaalsContact O-N 3.16Å; G169-K204 CarbonylContact O-C 3.5Å; G169-K204 WeakPolarHBondContact O-CA 3.49Å; G169-T205 PolarHBondContact O-N 2.83Å; G169-T205 PolarHBondContact O-OG1 3.02Å; G169-T205 VanDerWaalsContact O-OG1 3.11Å |
| 170 | R | 83.8 | Confident | 83.7 | Confident | 96 Ų | 96 | 53.8 Ų | 53.8 | 36% | 0.362 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 133.1 | -172.3 | -63.2 | -178 | 178.4 | -116.6 | 9 | 114.3 | G165 N166 P172 S202 I203 K204 | G165-R170 WeakPolarHBondContact CA-O 3.14Å; N166-R170 PolarHBondContact N-O 3.5Å; R170-P172 WeakPolarHBondContact O-CD 3.39Å; R170-S202 WeakPolarHBondContact CB-OG 3.44Å; R170-S202 VanDerWaalsContact CD-OG 3.29Å; R170-S202 WeakPolarHBondContact CD-OG 3.23Å; R170-S202 PolarHBondContact NH1-O 2.82Å; R170-I203 CarbonylContact C-O 3.56Å; R170-I203 VanDerWaalsContact CA-O 3.26Å; R170-I203 WeakPolarHBondContact CA-O 3.26Å; R170-K204 HydrophobicContact CG-CG 4.37Å |
| 171 | I | 86.9 | Confident | 83.4 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 117.8 | 178.5 | -51.2 | 170.8 | 0 | 0 | 0 | 109.5 | L161 F176 S202 I203 T205 L208 | L161-I171 HydrophobicContact CD2-CG2 4.46Å; L161-I171 WeakPolarHBondContact O-CG2 3.47Å; I171-F176 HydrophobicContact CB-CE2 4.42Å; I171-F176 HydrophobicContact CG2-CD2 4.28Å; I171-F176 HydrophobicContact CG2-CE2 3.8Å; I171-S202 WeakPolarHBondContact O-CA 3.47Å; I171-S202 VanDerWaalsContact O-CB 3.29Å; I171-S202 WeakPolarHBondContact O-CB 3.42Å; I171-I203 PolarHBondContact N-O 2.54Å; I171-I203 PolarHBondContact O-N 2.92Å; I171-I203 VanDerWaalsContact O-N 3.14Å; I171-T205 HydrophobicContact CD1-CG2 4.17Å; I171-T205 HydrophobicContact CG1-CG2 3.74Å; I171-L208 HydrophobicContact CD1-CD2 3.73Å |
| 172 | P | 86.5 | Confident | 83.2 | Confident | 18 Ų | 18 | 53.5 Ų | 53.5 | 12% | 0.117 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 136.1 | 178.9 | -19.9 | 33.2 | 0 | 0 | 0 | 112.4 | H164 N166 R170 K174 H175 | H164-P172 WeakPolarHBondContact O-CD 3.28Å; N166-P172 WeakPolarHBondContact OD1-CG 3.46Å; R170-P172 WeakPolarHBondContact O-CD 3.39Å; P172-K174 HydrophobicContact CB-CD 4.38Å; P172-K174 HydrophobicContact CB-CG 4.17Å; P172-K174 PolarHBondContact O-N 3.18Å; P172-H175 PolarHBondContact O-CD2 3.33Å; P172-H175 PolarHBondContact O-N 3.31Å; P172-H175 VanDerWaalsContact O-N 3.08Å |
| 173 | M | 83.8 | Confident | 83.2 | Confident | 5 Ų | 5 | 55.4 Ų | 55.4 | 3% | 0.025 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.9 | -22.2 | -173.9 | -171.7 | 52.8 | -150.2 | 0 | 0 | 114.8 | H175 F176 L177 V186 M190 | M173-H175 PolarHBondContact O-N 2.63Å; M173-H175 VanDerWaalsContact O-N 3.11Å; M173-F176 HydrophobicContact CE-CB 3.4Å; M173-F176 HydrophobicContact CE-CG 4.24Å; M173-F176 PolarHBondContact O-N 2.94Å; M173-F176 HydrophobicContact SD-CB 3.85Å; M173-F176 HydrophobicContact SD-CD2 4.15Å; M173-F176 HydrophobicContact SD-CG 4.22Å; M173-L177 HydrophobicContact CE-CD2 3.47Å; M173-L177 VanDerWaalsContact CE-CD2 3.47Å; M173-L177 HydrophobicContact CE-CG 3.63Å; M173-L177 HydrophobicContact CG-CD1 4.5Å; M173-L177 HydrophobicContact CG-CG 4.31Å; M173-L177 PolarHBondContact O-N 2.9Å; M173-L177 VanDerWaalsContact O-N 3.14Å; M173-V186 HydrophobicContact CE-CG1 3.6Å; M173-M190 HydrophobicContact CE-CE 3.15Å; M173-M190 HydrophobicContact CE-SD 3.47Å; M173-M190 WeakPolarHBondContact CE-SD 3.22Å; M173-M190 HydrophobicContact SD-CE 3.49Å; M173-M190 WeakPolarHBondContact SD-CE 3.5Å; M173-M190 HydrophobicContact SD-SD 3.44Å |
| 174 | K | 85.6 | Confident | 83.2 | Confident | 139 Ų | 139 | 60.9 Ų | 60.9 | 60% | 0.604 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -54.6 | -27.7 | 174.6 | 75.6 | -170 | -177.8 | -177.7 | 0 | 113.8 | P172 K178 | P172-K174 HydrophobicContact CB-CD 4.38Å; P172-K174 HydrophobicContact CB-CG 4.17Å; P172-K174 PolarHBondContact O-N 3.18Å; K174-K178 WeakPolarHBondContact O-CB 3.38Å; K174-K178 PolarHBondContact O-N 3.18Å |
| 175 | H | 87.3 | Confident | 83.5 | Confident | 35 Ų | 35 | 61.4 Ų | 61.4 | 16% | 0.162 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -77.7 | -44 | -178.4 | -65.3 | -81 | 0 | 0 | 0 | 112.2 | L161 H164 P172 M173 K178 L179 | L161-H175 HydrophobicContact CD2-CB 4.01Å; H164-H175 AromaticContact CD2-CE1 3.07Å; H164-H175 PolarHBondContact CD2-CE1 3.22Å; H164-H175 AromaticContact CD2-ND1 3.2Å; H164-H175 PolarHBondContact CD2-ND1 2.79Å; H164-H175 AromaticContact CD2-NE2 3.9Å; H164-H175 AromaticContact CG-CE1 3.64Å; H164-H175 AromaticContact CG-CG 3.94Å; H164-H175 AromaticContact CG-ND1 3.44Å; H164-H175 AromaticContact ND1-ND1 4Å; H164-H175 AromaticContact NE2-CE1 3.73Å; H164-H175 AromaticContact NE2-ND1 3.6Å; P172-H175 PolarHBondContact O-CD2 3.33Å; P172-H175 PolarHBondContact O-N 3.31Å; P172-H175 VanDerWaalsContact O-N 3.08Å; M173-H175 PolarHBondContact O-N 2.63Å; M173-H175 VanDerWaalsContact O-N 3.11Å; H175-K178 PolarHBondContact O-N 2.74Å; H175-K178 VanDerWaalsContact O-N 3.12Å; H175-L179 PolarHBondContact O-N 3.34Å |
| 176 | F | 86.4 | Confident | 84.2 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.1 | -46.3 | 170.4 | -74.7 | -94.2 | 0 | 0 | 0 | 111.2 | L161 I171 M173 K178 L179 F180 V186 I203 L208 F216 | L161-F176 HydrophobicContact CD1-CD1 3.98Å; L161-F176 HydrophobicContact CD1-CE1 3.64Å; L161-F176 HydrophobicContact CD1-CE2 4.5Å; L161-F176 HydrophobicContact CD1-CZ 3.93Å; L161-F176 HydrophobicContact CD2-CD1 4.24Å; L161-F176 HydrophobicContact CD2-CD2 3.82Å; L161-F176 HydrophobicContact CD2-CE1 4.35Å; L161-F176 HydrophobicContact CD2-CE2 3.94Å; L161-F176 HydrophobicContact CD2-CG 3.98Å; L161-F176 HydrophobicContact CD2-CZ 4.21Å; I171-F176 HydrophobicContact CB-CE2 4.42Å; I171-F176 HydrophobicContact CG2-CD2 4.28Å; I171-F176 HydrophobicContact CG2-CE2 3.8Å; M173-F176 HydrophobicContact CE-CB 3.4Å; M173-F176 HydrophobicContact CE-CG 4.24Å; M173-F176 PolarHBondContact O-N 2.94Å; M173-F176 HydrophobicContact SD-CB 3.85Å; M173-F176 HydrophobicContact SD-CD2 4.15Å; M173-F176 HydrophobicContact SD-CG 4.22Å; F176-K178 PolarHBondContact O-N 2.95Å; F176-L179 PolarHBondContact O-N 2.71Å; F176-L179 VanDerWaalsContact O-N 3.11Å; F176-F180 WeakPolarHBondContact O-CD2 3.37Å; F176-V186 HydrophobicContact CB-CG1 4.43Å; F176-I203 HydrophobicContact CD2-CD1 4.48Å; F176-I203 HydrophobicContact CE2-CD1 3.95Å; F176-I203 HydrophobicContact CZ-CD1 4.24Å; F176-L208 HydrophobicContact CE1-CD1 4.41Å; F176-L208 HydrophobicContact CZ-CD1 3.98Å; F176-L208 HydrophobicContact CZ-CD2 3.87Å; F176-F216 HydrophobicContact CD1-CE1 4.34Å; F176-F216 HydrophobicContact CD1-CZ 4.28Å; F176-F216 HydrophobicContact CE1-CE1 4.48Å |
| 177 | L | 86.3 | Confident | 84.9 | Confident | 24 Ų | 24 | 58.7 Ų | 58.7 | 13% | 0.126 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.7 | 0.8 | 176.8 | -61.7 | -171.3 | 0 | 0 | 0 | 115 | M173 K183 V186 K199 | M173-L177 HydrophobicContact CE-CD2 3.47Å; M173-L177 VanDerWaalsContact CE-CD2 3.47Å; M173-L177 HydrophobicContact CE-CG 3.63Å; M173-L177 HydrophobicContact CG-CD1 4.5Å; M173-L177 HydrophobicContact CG-CG 4.31Å; M173-L177 PolarHBondContact O-N 2.9Å; M173-L177 VanDerWaalsContact O-N 3.14Å; L177-K183 HydrophobicContact CB-CD 4.36Å; L177-K183 HydrophobicContact CD2-CB 4Å; L177-K183 HydrophobicContact CD2-CG 4.21Å; L177-K183 WeakPolarHBondContact O-CE 3.33Å; L177-K183 PolarHBondContact O-NZ 2.78Å; L177-V186 HydrophobicContact CD2-CB 4.32Å; L177-V186 HydrophobicContact CD2-CG1 4Å; L177-K199 HydrophobicContact CD1-CG 4.38Å |
| 178 | K | 87.1 | Confident | 86.1 | Confident | 161 Ų | 161 | 56 Ų | 56 | 70% | 0.7 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -108.1 | -16.2 | 172.8 | -171.9 | 173.5 | 178.3 | -177.9 | 0 | 112.9 | K174 H175 F176 | K174-K178 WeakPolarHBondContact O-CB 3.38Å; K174-K178 PolarHBondContact O-N 3.18Å; H175-K178 PolarHBondContact O-N 2.74Å; H175-K178 VanDerWaalsContact O-N 3.12Å; F176-K178 PolarHBondContact O-N 2.95Å |
| 179 | L | 86.1 | Confident | 87.2 | Confident | 38 Ų | 38 | 49.8 Ų | 49.8 | 20% | 0.199 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -86.3 | -20.7 | 179 | -74.9 | 176.6 | 0 | 0 | 0 | 114.2 | L161 H175 F176 L804 M805 | L161-L179 HydrophobicContact CD1-CD1 3.81Å; L161-L179 HydrophobicContact CD2-CD1 3.74Å; L161-L179 HydrophobicContact CG-CD1 3.67Å; H175-L179 PolarHBondContact O-N 3.34Å; F176-L179 PolarHBondContact O-N 2.71Å; F176-L179 VanDerWaalsContact O-N 3.11Å; L179-L804 HydrophobicContact CD2-CD2 4.21Å; L179-M805 HydrophobicContact CB-CE 3.98Å; L179-M805 HydrophobicContact CD2-CE 4.33Å; L179-M805 WeakPolarHBondContact O-CE 3.31Å |
| 180 | F | 89.6 | Confident | 87.8 | Confident | 3 Ų | 3 | 48.5 Ų | 48.5 | 1% | 0.013 | 22% | 0.222 | C | C | . | . | trans | -132.1 | 143.9 | -172.4 | -50.1 | -75.5 | 0 | 0 | 0 | 111.8 | F176 V186 F216 L217 L220 F707 M805 | F176-F180 WeakPolarHBondContact O-CD2 3.37Å; F180-V186 HydrophobicContact CB-CG2 3.64Å; F180-V186 HydrophobicContact CD2-CG2 3.7Å; F180-V186 HydrophobicContact CG-CG2 3.94Å; F180-F216 HydrophobicContact CD2-CZ 4.39Å; F180-F216 AromaticContact CE2-CE1 3.71Å; F180-F216 HydrophobicContact CE2-CE1 3.71Å; F180-F216 AromaticContact CE2-CZ 3.89Å; F180-F216 HydrophobicContact CE2-CZ 3.89Å; F180-F216 AromaticContact CZ-CE1 3.88Å; F180-F216 HydrophobicContact CZ-CE1 3.88Å; F180-F216 HydrophobicContact CZ-CZ 4.42Å; F180-L217 HydrophobicContact CE1-CD2 4Å; F180-L217 HydrophobicContact CZ-CD2 3.9Å; F180-L220 HydrophobicContact CB-CD2 4.49Å; F180-L220 HydrophobicContact CD1-CD2 3.61Å; F180-L220 HydrophobicContact CD2-CD2 4.05Å; F180-L220 HydrophobicContact CE1-CD2 3.69Å; F180-L220 HydrophobicContact CE2-CD2 4.14Å; F180-L220 HydrophobicContact CG-CD2 3.79Å; F180-L220 HydrophobicContact CZ-CD2 3.97Å; F180-F707 AromaticContact CD1-CD1 3.73Å; F180-F707 HydrophobicContact CD1-CD1 3.73Å; F180-F707 AromaticContact CD1-CE1 3.7Å; F180-F707 HydrophobicContact CD1-CE1 3.7Å; F180-F707 HydrophobicContact CD1-CG 4.41Å; F180-F707 HydrophobicContact CD1-CZ 4.34Å; F180-F707 HydrophobicContact CE1-CD1 4.03Å; F180-F707 AromaticContact CE1-CE1 3.79Å; F180-F707 HydrophobicContact CE1-CE1 3.79Å; F180-F707 HydrophobicContact CE1-CE2 4.33Å; F180-F707 HydrophobicContact CE1-CG 4.43Å; F180-F707 AromaticContact CE1-CZ 3.95Å; F180-F707 HydrophobicContact CE1-CZ 3.95Å; F180-M805 HydrophobicContact CD1-CE 3.97Å; F180-M805 HydrophobicContact CE1-CE 3.59Å; F180-M805 HydrophobicContact CE1-SD 4.15Å; F180-M805 HydrophobicContact CZ-CE 4.17Å | ||
| 181 | S | 84.9 | Confident | 88 | Confident | 15 Ų | 15 | 49.5 Ų | 49.5 | 11% | 0.105 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -78 | -33.2 | -173.4 | 55.1 | 0 | 0 | 0 | 0 | 114.5 | D710 S741 | S181-D710 WeakPolarHBondContact CA-O 3.47Å; S181-D710 WeakPolarHBondContact CB-O 3.46Å; S181-S741 PolarHBondContact OG-OG 3.03Å; S181-S741 VanDerWaalsContact OG-OG 3.08Å |
| 182 | D | 88.1 | Confident | 88.2 | Confident | 34 Ų | 34 | 54.4 Ų | 54.4 | 18% | 0.182 | 25% | 0.253 | C | S | . | . | trans | -97.7 | 93 | 175.1 | -157.4 | -54.6 | 0 | 0 | 0 | 113 | K184 R185 V186 K712 M742 | D182-K184 VanDerWaalsContact C-N 3.31Å; D182-K184 PolarHBondContact O-N 3.42Å; D182-K184 PolarHBondContact OD1-N 3.41Å; D182-K184 VanDerWaalsContact OD1-N 3.14Å; D182-R185 HydrophobicContact CB-CB 4.02Å; D182-R185 PolarHBondContact O-N 3.08Å; D182-R185 PolarHBondContact OD1-N 3.47Å; D182-R185 VanDerWaalsContact OD1-N 3.07Å; D182-V186 PolarHBondContact O-N 3.46Å; D182-V186 VanDerWaalsContact O-N 3.13Å; D182-K712 IonicContact OD2-NZ 2.69Å; D182-K712 PolarHBondContact OD2-NZ 2.96Å; D182-M742 HydrophobicContact CB-SD 4.48Å | ||
| 183 | K | 88.8 | Confident | 88.3 | Confident | 108 Ų | 108 | 54.2 Ų | 54.2 | 47% | 0.47 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.5 | -32.4 | -177.3 | -60.9 | -176.6 | -170.9 | -165.8 | 0 | 113.2 | L177 V186 E187 | L177-K183 HydrophobicContact CB-CD 4.36Å; L177-K183 HydrophobicContact CD2-CB 4Å; L177-K183 HydrophobicContact CD2-CG 4.21Å; L177-K183 WeakPolarHBondContact O-CE 3.33Å; L177-K183 PolarHBondContact O-NZ 2.78Å; K183-V186 PolarHBondContact O-N 2.94Å; K183-E187 VanDerWaalsContact O-CG 3.25Å; K183-E187 WeakPolarHBondContact O-CG 3.26Å; K183-E187 PolarHBondContact O-N 3.11Å |
| 184 | K | 89.2 | Confident | 88.3 | Confident | 162 Ų | 162 | 61.4 Ų | 61.4 | 70% | 0.704 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -68.6 | -42.3 | 176.6 | -70.2 | -175 | 174.8 | -174.9 | 0 | 111 | D182 V186 E187 T188 | D182-K184 VanDerWaalsContact C-N 3.31Å; D182-K184 PolarHBondContact O-N 3.42Å; D182-K184 PolarHBondContact OD1-N 3.41Å; D182-K184 VanDerWaalsContact OD1-N 3.14Å; K184-V186 VanDerWaalsContact C-N 3.32Å; K184-V186 PolarHBondContact O-N 3.46Å; K184-E187 WeakPolarHBondContact O-CB 3.45Å; K184-E187 PolarHBondContact O-N 2.92Å; K184-T188 PolarHBondContact O-N 2.94Å; K184-T188 PolarHBondContact O-OG1 3.23Å |
| 185 | R | 90.8 | Very high | 88.2 | Confident | 67 Ų | 67 | 55.5 Ų | 55.5 | 25% | 0.253 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.7 | -35.5 | 178.5 | -155.2 | 170.2 | 169.8 | -163.5 | -11.4 | 111.8 | D182 T188 A189 L220 D743 | D182-R185 HydrophobicContact CB-CB 4.02Å; D182-R185 PolarHBondContact O-N 3.08Å; D182-R185 PolarHBondContact OD1-N 3.47Å; D182-R185 VanDerWaalsContact OD1-N 3.07Å; R185-T188 PolarHBondContact O-N 2.98Å; R185-A189 VanDerWaalsContact O-CB 3.28Å; R185-A189 WeakPolarHBondContact O-CB 3.36Å; R185-A189 PolarHBondContact O-N 2.94Å; R185-L220 HydrophobicContact CB-CD1 4.03Å; R185-L220 HydrophobicContact CG-CD1 4.03Å; R185-L220 PolarHBondContact NE-O 3.03Å; R185-L220 PolarHBondContact NH2-O 3.36Å; R185-D743 IonicContact CZ-OD1 3.02Å; R185-D743 IonicContact CZ-OD2 3.06Å; R185-D743 IonicContact NH1-OD1 3.92Å; R185-D743 PolarHBondContact NH1-OD1 2.93Å; R185-D743 IonicContact NH1-OD2 3.21Å; R185-D743 PolarHBondContact NH1-OD2 3.43Å; R185-D743 IonicContact NH2-OD2 3.44Å; R185-D743 PolarHBondContact NH2-OD2 2.79Å |
| 186 | V | 90.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.2 | -48 | 169.5 | 172.4 | 0 | 0 | 0 | 0 | 112.1 | M173 F176 L177 F180 D182 K183 K184 T188 A189 M190 F216 L220 | M173-V186 HydrophobicContact CE-CG1 3.6Å; F176-V186 HydrophobicContact CB-CG1 4.43Å; L177-V186 HydrophobicContact CD2-CB 4.32Å; L177-V186 HydrophobicContact CD2-CG1 4Å; F180-V186 HydrophobicContact CB-CG2 3.64Å; F180-V186 HydrophobicContact CD2-CG2 3.7Å; F180-V186 HydrophobicContact CG-CG2 3.94Å; D182-V186 PolarHBondContact O-N 3.46Å; D182-V186 VanDerWaalsContact O-N 3.13Å; K183-V186 PolarHBondContact O-N 2.94Å; K184-V186 VanDerWaalsContact C-N 3.32Å; K184-V186 PolarHBondContact O-N 3.46Å; V186-T188 VanDerWaalsContact C-N 3.32Å; V186-T188 PolarHBondContact O-N 3.33Å; V186-A189 PolarHBondContact O-N 2.91Å; V186-M190 HydrophobicContact CG1-CE 4.29Å; V186-M190 HydrophobicContact CG1-SD 4.49Å; V186-M190 WeakPolarHBondContact O-CG 3.18Å; V186-M190 PolarHBondContact O-N 3.01Å; V186-M190 VanDerWaalsContact O-N 3.12Å; V186-F216 HydrophobicContact CG1-CE2 4.18Å; V186-F216 HydrophobicContact CG1-CZ 4.07Å; V186-F216 HydrophobicContact CG2-CZ 4.49Å; V186-L220 HydrophobicContact CB-CD1 4.49Å; V186-L220 HydrophobicContact CG2-CD1 3.78Å; V186-L220 HydrophobicContact CG2-CD2 4.21Å |
| 187 | E | 89.7 | Confident | 87 | Confident | 41 Ų | 41 | 59.1 Ų | 59.1 | 19% | 0.192 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.1 | -44.2 | 178.1 | -70.5 | 160.5 | -143.1 | 0 | 0 | 111.7 | K183 K184 E191 K199 | K183-E187 VanDerWaalsContact O-CG 3.25Å; K183-E187 WeakPolarHBondContact O-CG 3.26Å; K183-E187 PolarHBondContact O-N 3.11Å; K184-E187 WeakPolarHBondContact O-CB 3.45Å; K184-E187 PolarHBondContact O-N 2.92Å; E187-E191 PolarHBondContact O-N 3.42Å; E187-K199 WeakPolarHBondContact OE1-CE 3.46Å; E187-K199 IonicContact OE1-NZ 2.86Å; E187-K199 PolarHBondContact OE1-NZ 3.26Å; E187-K199 IonicContact OE2-NZ 3.91Å; E187-K199 PolarHBondContact OE2-NZ 2.74Å |
| 188 | T | 91.8 | Very high | 86.3 | Confident | 71 Ų | 71 | 61 Ų | 61 | 44% | 0.436 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -68.6 | -43.2 | 176.3 | -51.8 | 0 | 0 | 0 | 0 | 113.4 | K184 R185 V186 M190 E191 Q192 | K184-T188 PolarHBondContact O-N 2.94Å; K184-T188 PolarHBondContact O-OG1 3.23Å; R185-T188 PolarHBondContact O-N 2.98Å; V186-T188 VanDerWaalsContact C-N 3.32Å; V186-T188 PolarHBondContact O-N 3.33Å; T188-M190 VanDerWaalsContact C-N 3.31Å; T188-M190 PolarHBondContact O-N 2.88Å; T188-E191 PolarHBondContact O-N 2.98Å; T188-Q192 WeakPolarHBondContact O-CG 3.16Å; T188-Q192 PolarHBondContact O-N 2.81Å; T188-Q192 VanDerWaalsContact O-N 3.1Å |
| 189 | A | 91.5 | Very high | 85.2 | Confident | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.008 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.4 | -31.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | R185 V186 C193 F216 N219 L220 | R185-A189 VanDerWaalsContact O-CB 3.28Å; R185-A189 WeakPolarHBondContact O-CB 3.36Å; R185-A189 PolarHBondContact O-N 2.94Å; V186-A189 PolarHBondContact O-N 2.91Å; A189-C193 PolarHBondContact O-N 3.5Å; A189-C193 PolarHBondContact O-SG 3.32Å; A189-F216 HydrophobicContact CB-CD2 3.89Å; A189-F216 HydrophobicContact CB-CE2 3.89Å; A189-N219 HydrophobicContact CB-CB 3.95Å; A189-L220 HydrophobicContact CB-CB 3.91Å; A189-L220 HydrophobicContact CB-CD1 4.48Å |
| 190 | M | 88.8 | Confident | 84.1 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.3 | -44.2 | 172.1 | -72.7 | -171.8 | -56.6 | 0 | 0 | 112.6 | M173 V186 T188 Q192 C193 N194 L195 N197 I203 F216 | M173-M190 HydrophobicContact CE-CE 3.15Å; M173-M190 HydrophobicContact CE-SD 3.47Å; M173-M190 WeakPolarHBondContact CE-SD 3.22Å; M173-M190 HydrophobicContact SD-CE 3.49Å; M173-M190 WeakPolarHBondContact SD-CE 3.5Å; M173-M190 HydrophobicContact SD-SD 3.44Å; V186-M190 HydrophobicContact CG1-CE 4.29Å; V186-M190 HydrophobicContact CG1-SD 4.49Å; V186-M190 WeakPolarHBondContact O-CG 3.18Å; V186-M190 PolarHBondContact O-N 3.01Å; V186-M190 VanDerWaalsContact O-N 3.12Å; T188-M190 VanDerWaalsContact C-N 3.31Å; T188-M190 PolarHBondContact O-N 2.88Å; M190-Q192 VanDerWaalsContact C-N 3.29Å; M190-Q192 PolarHBondContact O-N 2.89Å; M190-C193 CarbonylContact O-C 3.51Å; M190-C193 WeakPolarHBondContact O-CA 3.18Å; M190-C193 WeakPolarHBondContact O-CB 3.4Å; M190-C193 PolarHBondContact O-N 3.27Å; M190-N194 PolarHBondContact O-N 3.38Å; M190-L195 HydrophobicContact CB-CB 4Å; M190-L195 HydrophobicContact CG-CB 4.43Å; M190-L195 PolarHBondContact O-N 3.4Å; M190-N197 HydrophobicContact CE-CB 4.1Å; M190-I203 HydrophobicContact SD-CD1 3.94Å; M190-F216 HydrophobicContact CG-CD2 3.87Å; M190-F216 HydrophobicContact CG-CE2 3.66Å |
| 191 | E | 89.2 | Confident | 83.2 | Confident | 118 Ų | 118 | 66.4 Ų | 66.4 | 55% | 0.551 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -59.7 | -42 | 178.3 | -170.9 | 172.4 | 173.1 | 0 | 0 | 110.9 | E187 T188 C193 N194 N197 | E187-E191 PolarHBondContact O-N 3.42Å; T188-E191 PolarHBondContact O-N 2.98Å; E191-C193 PolarHBondContact O-N 2.87Å; E191-C193 VanDerWaalsContact O-N 3.16Å; E191-N194 PolarHBondContact O-N 3.17Å; E191-N197 PolarHBondContact OE2-ND2 2.82Å |
| 192 | Q | 90 | Very high | 82.9 | Confident | 102 Ų | 102 | 67 Ų | 67 | 48% | 0.477 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -12.5 | 171.8 | -67.2 | 172.5 | -13.8 | 0 | 0 | 114.6 | T188 M190 N219 | T188-Q192 WeakPolarHBondContact O-CG 3.16Å; T188-Q192 PolarHBondContact O-N 2.81Å; T188-Q192 VanDerWaalsContact O-N 3.1Å; M190-Q192 VanDerWaalsContact C-N 3.29Å; M190-Q192 PolarHBondContact O-N 2.89Å; Q192-N219 WeakPolarHBondContact CB-ND2 3.44Å |
| 193 | C | 88.1 | Confident | 82.8 | Confident | 15 Ų | 15 | 65.7 Ų | 65.7 | 10% | 0.101 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 4.3 | 172.4 | -62.8 | 0 | 0 | 0 | 0 | 113.3 | A189 M190 E191 L195 F216 N219 | A189-C193 PolarHBondContact O-N 3.5Å; A189-C193 PolarHBondContact O-SG 3.32Å; M190-C193 CarbonylContact O-C 3.51Å; M190-C193 WeakPolarHBondContact O-CA 3.18Å; M190-C193 WeakPolarHBondContact O-CB 3.4Å; M190-C193 PolarHBondContact O-N 3.27Å; E191-C193 PolarHBondContact O-N 2.87Å; E191-C193 VanDerWaalsContact O-N 3.16Å; C193-L195 HydrophobicContact CB-CD1 4.2Å; C193-L195 HydrophobicContact CB-CG 4.03Å; C193-L195 PolarHBondContact O-N 3Å; C193-F216 VanDerWaalsContact SG-CA 3.54Å; C193-N219 PolarHBondContact SG-ND2 3.2Å; C193-N219 VanDerWaalsContact SG-ND2 3.38Å |
| 194 | N | 85.2 | Confident | 82.6 | Confident | 155 Ų | 155 | 64.6 Ų | 64.6 | 83% | 0.829 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 23.6 | -169 | -53.1 | -46.3 | 0 | 0 | 0 | 113.8 | M190 E191 | M190-N194 PolarHBondContact O-N 3.38Å; E191-N194 PolarHBondContact O-N 3.17Å |
| 195 | L | 83.1 | Confident | 82.3 | Confident | 15 Ų | 15 | 58.2 Ų | 58.2 | 8% | 0.079 | 30% | 0.3 | C | S | . | . | trans | -86.9 | 148.5 | 172.7 | -64.9 | 178.2 | 0 | 0 | 0 | 110.4 | M190 C193 N197 I203 L208 V212 | M190-L195 HydrophobicContact CB-CB 4Å; M190-L195 HydrophobicContact CG-CB 4.43Å; M190-L195 PolarHBondContact O-N 3.4Å; C193-L195 HydrophobicContact CB-CD1 4.2Å; C193-L195 HydrophobicContact CB-CG 4.03Å; C193-L195 PolarHBondContact O-N 3Å; L195-N197 PolarHBondContact O-N 2.98Å; L195-I203 HydrophobicContact CB-CD1 4.33Å; L195-I203 HydrophobicContact CD2-CG2 4.01Å; L195-L208 HydrophobicContact CD1-CD1 3.89Å; L195-V212 HydrophobicContact CD1-CG1 3.96Å; L195-V212 HydrophobicContact CD2-CG1 4.06Å; L195-V212 HydrophobicContact CG-CG1 4.18Å | ||
| 196 | N | 76.3 | Confident | 82 | Confident | 53 Ų | 53 | 60.9 Ų | 60.9 | 28% | 0.283 | 32% | 0.319 | S | S | . | . | trans | -65.4 | 119 | -179.2 | -171.1 | -15.8 | 0 | 0 | 0 | 111.1 | N198 E201 I203 | N196-N198 WeakPolarHBondContact OD1-CB 3.15Å; N196-N198 PolarHBondContact OD1-N 3.16Å; N196-E201 WeakPolarHBondContact ND2-CB 3.37Å; N196-E201 PolarHBondContact ND2-OE2 3.23Å; N196-I203 HydrophobicContact CB-CG1 4.27Å | ||
| 197 | N | 71.3 | Confident | 81.8 | Confident | 58 Ų | 58 | 64.3 Ų | 64.3 | 31% | 0.31 | 34% | 0.337 | S | S | . | . | trans | -95.3 | -3.1 | -177.6 | 66.2 | 2 | 0 | 0 | 0 | 114.1 | M190 E191 L195 K199 | M190-N197 HydrophobicContact CE-CB 4.1Å; E191-N197 PolarHBondContact OE2-ND2 2.82Å; L195-N197 PolarHBondContact O-N 2.98Å; N197-K199 PolarHBondContact O-N 2.88Å | ||
| 198 | N | 72.1 | Confident | 81.8 | Confident | 63 Ų | 63 | 62.3 Ų | 62.3 | 34% | 0.337 | 33% | 0.328 | S | S | . | . | trans | -72.3 | 121.6 | -177.1 | -174.3 | 0.5 | 0 | 0 | 0 | 111.8 | N196 S200 E201 | N196-N198 WeakPolarHBondContact OD1-CB 3.15Å; N196-N198 PolarHBondContact OD1-N 3.16Å; N198-S200 PolarHBondContact ND2-OG 2.97Å; N198-S200 VanDerWaalsContact ND2-OG 3.11Å; N198-S200 PolarHBondContact O-N 2.87Å; N198-S200 VanDerWaalsContact O-N 3.09Å; N198-S200 PolarHBondContact OD1-N 3.01Å; N198-S200 PolarHBondContact OD1-OG 3.05Å; N198-S200 VanDerWaalsContact OD1-OG 3.09Å; N198-E201 HydrophobicContact CB-CB 4.16Å; N198-E201 HydrophobicContact CB-CG 4.09Å; N198-E201 PolarHBondContact ND2-OE1 3.03Å; N198-E201 PolarHBondContact O-N 3.23Å | ||
| 199 | K | 64.1 | Low | 81.9 | Confident | 123 Ų | 123 | 61.4 Ų | 61.4 | 54% | 0.535 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -22.2 | -179.9 | -66.5 | -174.1 | 172.1 | 82.7 | 0 | 114.8 | L177 E187 N197 | L177-K199 HydrophobicContact CD1-CG 4.38Å; E187-K199 WeakPolarHBondContact OE1-CE 3.46Å; E187-K199 IonicContact OE1-NZ 2.86Å; E187-K199 PolarHBondContact OE1-NZ 3.26Å; E187-K199 IonicContact OE2-NZ 3.91Å; E187-K199 PolarHBondContact OE2-NZ 2.74Å; N197-K199 PolarHBondContact O-N 2.88Å |
| 200 | S | 62.7 | Low | 81.9 | Confident | 103 Ų | 103 | 63.9 Ų | 63.9 | 72% | 0.72 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -4.8 | 176.7 | 57.6 | 0 | 0 | 0 | 0 | 114.3 | N198 | N198-S200 PolarHBondContact ND2-OG 2.97Å; N198-S200 VanDerWaalsContact ND2-OG 3.11Å; N198-S200 PolarHBondContact O-N 2.87Å; N198-S200 VanDerWaalsContact O-N 3.09Å; N198-S200 PolarHBondContact OD1-N 3.01Å; N198-S200 PolarHBondContact OD1-OG 3.05Å; N198-S200 VanDerWaalsContact OD1-OG 3.09Å |
| 201 | E | 70.7 | Confident | 82 | Confident | 91 Ų | 91 | 69.7 Ų | 69.7 | 43% | 0.425 | 36% | 0.359 | S | S | . | . | trans | -112.7 | -179 | -173.4 | -66.3 | -178 | -134 | 0 | 0 | 112.4 | N196 N198 | N196-E201 WeakPolarHBondContact ND2-CB 3.37Å; N196-E201 PolarHBondContact ND2-OE2 3.23Å; N198-E201 HydrophobicContact CB-CB 4.16Å; N198-E201 HydrophobicContact CB-CG 4.09Å; N198-E201 PolarHBondContact ND2-OE1 3.03Å; N198-E201 PolarHBondContact O-N 3.23Å | ||
| 202 | S | 79.9 | Confident | 82.1 | Confident | 28 Ų | 28 | 65.9 Ų | 65.9 | 20% | 0.196 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 133.3 | -174.4 | 54.1 | 0 | 0 | 0 | 0 | 111.8 | R170 I171 | R170-S202 WeakPolarHBondContact CB-OG 3.44Å; R170-S202 VanDerWaalsContact CD-OG 3.29Å; R170-S202 WeakPolarHBondContact CD-OG 3.23Å; R170-S202 PolarHBondContact NH1-O 2.82Å; I171-S202 WeakPolarHBondContact O-CA 3.47Å; I171-S202 VanDerWaalsContact O-CB 3.29Å; I171-S202 WeakPolarHBondContact O-CB 3.42Å |
| 203 | I | 84.5 | Confident | 82.3 | Confident | 5 Ų | 5 | 61 Ų | 61 | 3% | 0.026 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 138.8 | -177.7 | -58.3 | 166.5 | 0 | 0 | 0 | 108 | R170 I171 F176 M190 L195 N196 D207 | R170-I203 CarbonylContact C-O 3.56Å; R170-I203 VanDerWaalsContact CA-O 3.26Å; R170-I203 WeakPolarHBondContact CA-O 3.26Å; I171-I203 PolarHBondContact N-O 2.54Å; I171-I203 PolarHBondContact O-N 2.92Å; I171-I203 VanDerWaalsContact O-N 3.14Å; F176-I203 HydrophobicContact CD2-CD1 4.48Å; F176-I203 HydrophobicContact CE2-CD1 3.95Å; F176-I203 HydrophobicContact CZ-CD1 4.24Å; M190-I203 HydrophobicContact SD-CD1 3.94Å; L195-I203 HydrophobicContact CB-CD1 4.33Å; L195-I203 HydrophobicContact CD2-CG2 4.01Å; N196-I203 HydrophobicContact CB-CG1 4.27Å; I203-D207 HydrophobicContact CG2-CB 4.37Å |
| 204 | K | 84.7 | Confident | 82.4 | Confident | 86 Ų | 86 | 62 Ų | 62 | 37% | 0.374 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 148.3 | 175.4 | -52.3 | -178.6 | -141.4 | 126.5 | 0 | 110.8 | G169 R170 D206 D207 | G169-K204 CarbonylContact O-C 3.5Å; G169-K204 WeakPolarHBondContact O-CA 3.49Å; R170-K204 HydrophobicContact CG-CG 4.37Å; K204-D206 PolarHBondContact O-N 2.86Å; K204-D207 HydrophobicContact CB-CB 4.31Å; K204-D207 VanDerWaalsContact CB-OD2 3.29Å; K204-D207 WeakPolarHBondContact CB-OD2 3.41Å; K204-D207 VanDerWaalsContact CG-OD2 3.22Å; K204-D207 WeakPolarHBondContact CG-OD2 3.16Å; K204-D207 IonicContact NZ-OD1 3.75Å; K204-D207 PolarHBondContact NZ-OD1 3.25Å; K204-D207 IonicContact NZ-OD2 2.81Å; K204-D207 PolarHBondContact NZ-OD2 2.69Å; K204-D207 PolarHBondContact O-N 3.1Å |
| 205 | T | 83.3 | Confident | 82.7 | Confident | 27 Ų | 27 | 59.6 Ų | 59.6 | 17% | 0.166 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -26.7 | 174.2 | 46.3 | 0 | 0 | 0 | 0 | 112.9 | K162 G169 I171 | K162-T205 WeakPolarHBondContact CE-O 3.49Å; K162-T205 PolarHBondContact NZ-O 3.11Å; G169-T205 PolarHBondContact O-N 2.83Å; G169-T205 PolarHBondContact O-OG1 3.02Å; G169-T205 VanDerWaalsContact O-OG1 3.11Å; I171-T205 HydrophobicContact CD1-CG2 4.17Å; I171-T205 HydrophobicContact CG1-CG2 3.74Å |
| 206 | D | 85.2 | Confident | 83.2 | Confident | 123 Ų | 123 | 58.9 Ų | 58.9 | 66% | 0.658 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -36.5 | 179.5 | -50.9 | -39.9 | 0 | 0 | 0 | 112.4 | K204 L208 | K204-D206 PolarHBondContact O-N 2.86Å; D206-L208 PolarHBondContact O-N 3.38Å |
| 207 | D | 86.8 | Confident | 84 | Confident | 72 Ų | 72 | 56.9 Ų | 56.9 | 39% | 0.385 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -22.4 | 177.6 | -54.1 | -26 | 0 | 0 | 0 | 111.1 | I203 K204 T209 | I203-D207 HydrophobicContact CG2-CB 4.37Å; K204-D207 HydrophobicContact CB-CB 4.31Å; K204-D207 VanDerWaalsContact CB-OD2 3.29Å; K204-D207 WeakPolarHBondContact CB-OD2 3.41Å; K204-D207 VanDerWaalsContact CG-OD2 3.22Å; K204-D207 WeakPolarHBondContact CG-OD2 3.16Å; K204-D207 IonicContact NZ-OD1 3.75Å; K204-D207 PolarHBondContact NZ-OD1 3.25Å; K204-D207 IonicContact NZ-OD2 2.81Å; K204-D207 PolarHBondContact NZ-OD2 2.69Å; K204-D207 PolarHBondContact O-N 3.1Å; D207-T209 PolarHBondContact O-N 2.83Å |
| 208 | L | 89.1 | Confident | 84.9 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.295 | C | S | . | . | trans | -96.3 | 78.8 | 176.8 | -166.1 | 81.2 | 0 | 0 | 0 | 111.9 | Y158 K162 I171 F176 L195 D206 | Y158-L208 HydrophobicContact CD2-CD2 4.2Å; Y158-L208 HydrophobicContact CE2-CD2 3.97Å; Y158-L208 HydrophobicContact CE2-CG 4.01Å; Y158-L208 WeakPolarHBondContact CE2-O 3.3Å; Y158-L208 PolarHBondContact OH-O 2.71Å; K162-L208 WeakPolarHBondContact CE-O 3.03Å; K162-L208 PolarHBondContact NZ-O 2.81Å; I171-L208 HydrophobicContact CD1-CD2 3.73Å; F176-L208 HydrophobicContact CE1-CD1 4.41Å; F176-L208 HydrophobicContact CZ-CD1 3.98Å; F176-L208 HydrophobicContact CZ-CD2 3.87Å; L195-L208 HydrophobicContact CD1-CD1 3.89Å; D206-L208 PolarHBondContact O-N 3.38Å | ||
| 209 | T | 92.7 | Very high | 85.8 | Confident | 51 Ų | 51 | 56.6 Ų | 56.6 | 31% | 0.313 | 29% | 0.291 | S | S | . | . | trans | -73.3 | 170 | 168 | 88.4 | 0 | 0 | 0 | 0 | 111.6 | Y158 D207 E211 V212 F213 | Y158-T209 WeakPolarHBondContact CE2-O 3.46Å; D207-T209 PolarHBondContact O-N 2.83Å; T209-E211 VanDerWaalsContact C-N 3.34Å; T209-E211 WeakPolarHBondContact CB-OE2 3.45Å; T209-E211 PolarHBondContact OG1-N 2.67Å; T209-E211 PolarHBondContact OG1-OE2 2.86Å; T209-V212 HydrophobicContact CG2-CG2 4.39Å; T209-V212 PolarHBondContact O-N 3.32Å; T209-V212 WeakPolarHBondContact OG1-CG2 3.32Å; T209-V212 PolarHBondContact OG1-N 3.4Å; T209-F213 WeakPolarHBondContact O-CB 3.03Å; T209-F213 PolarHBondContact O-N 2.9Å | ||
| 210 | W | 91.9 | Very high | 87.2 | Confident | 53 Ų | 53 | 50.7 Ų | 50.7 | 20% | 0.201 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.5 | -38.3 | 176.4 | 171.6 | -118 | 0 | 0 | 0 | 112 | N151 L154 Q155 Y158 F213 L214 | N151-W210 WeakPolarHBondContact OD1-CZ2 3.45Å; L154-W210 HydrophobicContact CB-CH2 4.13Å; Q155-W210 HydrophobicContact CB-CH2 4.24Å; Q155-W210 HydrophobicContact CB-CZ3 4.32Å; Q155-W210 HydrophobicContact CG-CE3 4.49Å; Q155-W210 HydrophobicContact CG-CH2 3.45Å; Q155-W210 VanDerWaalsContact CG-CH2 3.45Å; Q155-W210 HydrophobicContact CG-CZ2 3.72Å; Q155-W210 HydrophobicContact CG-CZ3 3.88Å; Y158-W210 HydrophobicContact CD1-CE3 4.03Å; Y158-W210 HydrophobicContact CD2-CE3 4.34Å; Y158-W210 HydrophobicContact CE1-CB 4.49Å; Y158-W210 AromaticContact CG-CE3 3.88Å; Y158-W210 HydrophobicContact CG-CE3 3.88Å; Y158-W210 HydrophobicContact CG-CZ3 4.29Å; Y158-W210 PolarHBondContact OH-N 2.83Å; W210-F213 AromaticContact CE3-CD1 3.95Å; W210-F213 HydrophobicContact CE3-CD1 3.95Å; W210-F213 AromaticContact CZ3-CD1 3.68Å; W210-F213 HydrophobicContact CZ3-CD1 3.68Å; W210-F213 HydrophobicContact CZ3-CE1 4.04Å; W210-F213 PolarHBondContact O-N 2.86Å; W210-L214 HydrophobicContact CD2-CD1 4.4Å; W210-L214 HydrophobicContact CD2-CG 4.26Å; W210-L214 HydrophobicContact CH2-CD2 3.85Å; W210-L214 HydrophobicContact CH2-CG 4.31Å; W210-L214 HydrophobicContact CZ2-CD1 3.9Å; W210-L214 HydrophobicContact CZ2-CD2 3.76Å; W210-L214 HydrophobicContact CZ2-CG 3.94Å; W210-L214 HydrophobicContact CZ3-CD2 4.43Å; W210-L214 WeakPolarHBondContact O-CG 3.48Å; W210-L214 PolarHBondContact O-N 3.19Å |
| 211 | E | 90.5 | Very high | 88.5 | Confident | 122 Ų | 122 | 46.2 Ų | 46.2 | 57% | 0.57 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -67.6 | -40.5 | 178.3 | -54.9 | 65 | -136.2 | 0 | 0 | 110.8 | T209 L214 K215 | T209-E211 VanDerWaalsContact C-N 3.34Å; T209-E211 WeakPolarHBondContact CB-OE2 3.45Å; T209-E211 PolarHBondContact OG1-N 2.67Å; T209-E211 PolarHBondContact OG1-OE2 2.86Å; E211-L214 PolarHBondContact O-N 2.84Å; E211-K215 WeakPolarHBondContact O-CB 3.48Å; E211-K215 PolarHBondContact O-N 3.39Å |
| 212 | V | 92.6 | Very high | 89.4 | Confident | 39 Ų | 39 | 47.3 Ų | 47.3 | 24% | 0.236 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65 | -40.3 | 173.4 | 175 | 0 | 0 | 0 | 0 | 110.8 | L195 T209 K215 F216 | L195-V212 HydrophobicContact CD1-CG1 3.96Å; L195-V212 HydrophobicContact CD2-CG1 4.06Å; L195-V212 HydrophobicContact CG-CG1 4.18Å; T209-V212 HydrophobicContact CG2-CG2 4.39Å; T209-V212 PolarHBondContact O-N 3.32Å; T209-V212 WeakPolarHBondContact OG1-CG2 3.32Å; T209-V212 PolarHBondContact OG1-N 3.4Å; V212-K215 PolarHBondContact O-N 2.71Å; V212-F216 WeakPolarHBondContact O-CB 3.34Å; V212-F216 PolarHBondContact O-N 3.06Å |
| 213 | F | 93.1 | Very high | 90 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66 | -42.3 | 175.6 | 179.3 | -104.5 | 0 | 0 | 0 | 112.7 | Y158 L161 T209 W210 F216 L217 | Y158-F213 HydrophobicContact CD2-CB 3.58Å; Y158-F213 AromaticContact CD2-CD1 3.96Å; Y158-F213 HydrophobicContact CD2-CD1 3.96Å; Y158-F213 HydrophobicContact CD2-CD2 4.1Å; Y158-F213 AromaticContact CD2-CG 3.61Å; Y158-F213 HydrophobicContact CD2-CG 3.61Å; Y158-F213 HydrophobicContact CE2-CB 3.95Å; Y158-F213 HydrophobicContact CE2-CG 4.45Å; Y158-F213 HydrophobicContact CG-CD1 4.23Å; Y158-F213 HydrophobicContact CG-CG 4.33Å; L161-F213 HydrophobicContact CD1-CD2 4.32Å; L161-F213 HydrophobicContact CD1-CE2 3.69Å; T209-F213 WeakPolarHBondContact O-CB 3.03Å; T209-F213 PolarHBondContact O-N 2.9Å; W210-F213 AromaticContact CE3-CD1 3.95Å; W210-F213 HydrophobicContact CE3-CD1 3.95Å; W210-F213 AromaticContact CZ3-CD1 3.68Å; W210-F213 HydrophobicContact CZ3-CD1 3.68Å; W210-F213 HydrophobicContact CZ3-CE1 4.04Å; W210-F213 PolarHBondContact O-N 2.86Å; F213-F216 HydrophobicContact CD2-CD1 4.22Å; F213-F216 HydrophobicContact CE2-CD1 4.35Å; F213-F216 WeakPolarHBondContact O-CB 3.46Å; F213-F216 PolarHBondContact O-N 2.81Å; F213-L217 HydrophobicContact CD1-CD1 4.15Å; F213-L217 HydrophobicContact CE1-CD1 3.58Å; F213-L217 HydrophobicContact CE1-CG 4.16Å; F213-L217 HydrophobicContact CZ-CD1 3.92Å; F213-L217 HydrophobicContact CZ-CD2 4.25Å; F213-L217 HydrophobicContact CZ-CG 4.18Å; F213-L217 WeakPolarHBondContact O-CG 3.42Å; F213-L217 PolarHBondContact O-N 2.68Å |
| 214 | L | 91.2 | Very high | 90.4 | Very high | 34 Ų | 34 | 51.4 Ų | 51.4 | 18% | 0.178 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.9 | -46.8 | 173.4 | -73.1 | -179.8 | 0 | 0 | 0 | 111.5 | W210 E211 F216 L217 D218 | W210-L214 HydrophobicContact CD2-CD1 4.4Å; W210-L214 HydrophobicContact CD2-CG 4.26Å; W210-L214 HydrophobicContact CH2-CD2 3.85Å; W210-L214 HydrophobicContact CH2-CG 4.31Å; W210-L214 HydrophobicContact CZ2-CD1 3.9Å; W210-L214 HydrophobicContact CZ2-CD2 3.76Å; W210-L214 HydrophobicContact CZ2-CG 3.94Å; W210-L214 HydrophobicContact CZ3-CD2 4.43Å; W210-L214 WeakPolarHBondContact O-CG 3.48Å; W210-L214 PolarHBondContact O-N 3.19Å; E211-L214 PolarHBondContact O-N 2.84Å; L214-F216 VanDerWaalsContact C-N 3.27Å; L214-F216 PolarHBondContact O-N 3.31Å; L214-L217 WeakPolarHBondContact O-CA 3.48Å; L214-L217 WeakPolarHBondContact O-CB 3.49Å; L214-L217 PolarHBondContact O-N 3.37Å; L214-D218 PolarHBondContact O-N 3.33Å |
| 215 | K | 91.2 | Very high | 90.9 | Very high | 105 Ų | 105 | 47.8 Ų | 47.8 | 46% | 0.457 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.3 | -37.8 | 175.5 | -172.6 | -173.5 | 175.7 | -167.4 | 0 | 112.3 | E211 V212 D218 N219 | E211-K215 WeakPolarHBondContact O-CB 3.48Å; E211-K215 PolarHBondContact O-N 3.39Å; V212-K215 PolarHBondContact O-N 2.71Å; K215-D218 PolarHBondContact O-N 2.9Å; K215-N219 WeakPolarHBondContact O-CB 3.48Å; K215-N219 PolarHBondContact O-N 3.11Å |
| 216 | F | 93.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.8 | -41.7 | 172.4 | 160.8 | -98.7 | 0 | 0 | 0 | 111.9 | F176 F180 V186 A189 M190 C193 V212 F213 L214 N219 L220 | F176-F216 HydrophobicContact CD1-CE1 4.34Å; F176-F216 HydrophobicContact CD1-CZ 4.28Å; F176-F216 HydrophobicContact CE1-CE1 4.48Å; F180-F216 HydrophobicContact CD2-CZ 4.39Å; F180-F216 AromaticContact CE2-CE1 3.71Å; F180-F216 HydrophobicContact CE2-CE1 3.71Å; F180-F216 AromaticContact CE2-CZ 3.89Å; F180-F216 HydrophobicContact CE2-CZ 3.89Å; F180-F216 AromaticContact CZ-CE1 3.88Å; F180-F216 HydrophobicContact CZ-CE1 3.88Å; F180-F216 HydrophobicContact CZ-CZ 4.42Å; V186-F216 HydrophobicContact CG1-CE2 4.18Å; V186-F216 HydrophobicContact CG1-CZ 4.07Å; V186-F216 HydrophobicContact CG2-CZ 4.49Å; A189-F216 HydrophobicContact CB-CD2 3.89Å; A189-F216 HydrophobicContact CB-CE2 3.89Å; M190-F216 HydrophobicContact CG-CD2 3.87Å; M190-F216 HydrophobicContact CG-CE2 3.66Å; C193-F216 VanDerWaalsContact SG-CA 3.54Å; V212-F216 WeakPolarHBondContact O-CB 3.34Å; V212-F216 PolarHBondContact O-N 3.06Å; F213-F216 HydrophobicContact CD2-CD1 4.22Å; F213-F216 HydrophobicContact CE2-CD1 4.35Å; F213-F216 WeakPolarHBondContact O-CB 3.46Å; F213-F216 PolarHBondContact O-N 2.81Å; L214-F216 VanDerWaalsContact C-N 3.27Å; L214-F216 PolarHBondContact O-N 3.31Å; F216-N219 PolarHBondContact O-N 3.44Å; F216-L220 HydrophobicContact CE1-CD2 4.01Å; F216-L220 HydrophobicContact CZ-CD2 3.8Å; F216-L220 WeakPolarHBondContact O-CB 3.49Å; F216-L220 PolarHBondContact O-N 3.46Å |
| 217 | L | 92.8 | Very high | 91.8 | Very high | 11 Ų | 11 | 44 Ų | 44 | 6% | 0.058 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -66.2 | -39.5 | 175 | -68.1 | -178.5 | 0 | 0 | 0 | 112.6 | L154 F180 F213 L214 L220 C221 F707 | L154-L217 HydrophobicContact CD1-CD1 4.09Å; L154-L217 HydrophobicContact CD2-CD1 3.95Å; L154-L217 HydrophobicContact CG-CD1 4.41Å; F180-L217 HydrophobicContact CE1-CD2 4Å; F180-L217 HydrophobicContact CZ-CD2 3.9Å; F213-L217 HydrophobicContact CD1-CD1 4.15Å; F213-L217 HydrophobicContact CE1-CD1 3.58Å; F213-L217 HydrophobicContact CE1-CG 4.16Å; F213-L217 HydrophobicContact CZ-CD1 3.92Å; F213-L217 HydrophobicContact CZ-CD2 4.25Å; F213-L217 HydrophobicContact CZ-CG 4.18Å; F213-L217 WeakPolarHBondContact O-CG 3.42Å; F213-L217 PolarHBondContact O-N 2.68Å; L214-L217 WeakPolarHBondContact O-CA 3.48Å; L214-L217 WeakPolarHBondContact O-CB 3.49Å; L214-L217 PolarHBondContact O-N 3.37Å; L217-L220 HydrophobicContact CD2-CD2 4.39Å; L217-L220 PolarHBondContact O-N 2.74Å; L217-C221 VanDerWaalsContact O-CB 3.28Å; L217-C221 WeakPolarHBondContact O-CB 3.31Å; L217-C221 PolarHBondContact O-N 2.9Å; L217-F707 HydrophobicContact CD2-CE2 4.24Å; L217-F707 HydrophobicContact CD2-CZ 3.98Å |
| 218 | D | 90.6 | Very high | 92 | Very high | 66 Ų | 66 | 44.4 Ų | 44.4 | 35% | 0.353 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.6 | -39 | 177.4 | -64.3 | -33.2 | 0 | 0 | 0 | 111.8 | L214 K215 Q294 | L214-D218 PolarHBondContact O-N 3.33Å; K215-D218 PolarHBondContact O-N 2.9Å; D218-Q294 PolarHBondContact OD2-NE2 2.77Å |
| 219 | N | 91.6 | Very high | 92.3 | Very high | 49 Ų | 49 | 44.8 Ų | 44.8 | 26% | 0.262 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -70.2 | -36.4 | 172.3 | -75.5 | -17.4 | 0 | 0 | 0 | 112.5 | A189 Q192 C193 K215 F216 | A189-N219 HydrophobicContact CB-CB 3.95Å; Q192-N219 WeakPolarHBondContact CB-ND2 3.44Å; C193-N219 PolarHBondContact SG-ND2 3.2Å; C193-N219 VanDerWaalsContact SG-ND2 3.38Å; K215-N219 WeakPolarHBondContact O-CB 3.48Å; K215-N219 PolarHBondContact O-N 3.11Å; F216-N219 PolarHBondContact O-N 3.44Å |
| 220 | L | 91.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -72.2 | -38.7 | 179.4 | 177.1 | 62 | 0 | 0 | 0 | 112.1 | F180 R185 V186 A189 F216 L217 F707 M742 | F180-L220 HydrophobicContact CB-CD2 4.49Å; F180-L220 HydrophobicContact CD1-CD2 3.61Å; F180-L220 HydrophobicContact CD2-CD2 4.05Å; F180-L220 HydrophobicContact CE1-CD2 3.69Å; F180-L220 HydrophobicContact CE2-CD2 4.14Å; F180-L220 HydrophobicContact CG-CD2 3.79Å; F180-L220 HydrophobicContact CZ-CD2 3.97Å; R185-L220 HydrophobicContact CB-CD1 4.03Å; R185-L220 HydrophobicContact CG-CD1 4.03Å; R185-L220 PolarHBondContact NE-O 3.03Å; R185-L220 PolarHBondContact NH2-O 3.36Å; V186-L220 HydrophobicContact CB-CD1 4.49Å; V186-L220 HydrophobicContact CG2-CD1 3.78Å; V186-L220 HydrophobicContact CG2-CD2 4.21Å; A189-L220 HydrophobicContact CB-CB 3.91Å; A189-L220 HydrophobicContact CB-CD1 4.48Å; F216-L220 HydrophobicContact CE1-CD2 4.01Å; F216-L220 HydrophobicContact CZ-CD2 3.8Å; F216-L220 WeakPolarHBondContact O-CB 3.49Å; F216-L220 PolarHBondContact O-N 3.46Å; L217-L220 HydrophobicContact CD2-CD2 4.39Å; L217-L220 PolarHBondContact O-N 2.74Å; L220-F707 HydrophobicContact CD2-CE1 4.29Å; L220-M742 HydrophobicContact CD1-CE 3.89Å; L220-M742 HydrophobicContact CD1-SD 3.96Å; L220-M742 HydrophobicContact CG-CE 3.88Å; L220-M742 HydrophobicContact CG-SD 4.17Å; L220-M742 WeakPolarHBondContact O-CE 3.41Å |
| 221 | C | 90.8 | Very high | 92.4 | Very high | 9 Ų | 9 | 43.4 Ų | 43.4 | 6% | 0.061 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -125.8 | 100.6 | -167.4 | -173.4 | 0 | 0 | 0 | 0 | 109.6 | L217 R223 F707 D743 | L217-C221 VanDerWaalsContact O-CB 3.28Å; L217-C221 WeakPolarHBondContact O-CB 3.31Å; L217-C221 PolarHBondContact O-N 2.9Å; C221-R223 WeakPolarHBondContact O-CG 3.48Å; C221-F707 HydrophobicContact CB-CE1 4.48Å; C221-F707 HydrophobicContact CB-CZ 4.18Å; C221-D743 VanDerWaalsContact SG-CB 3.58Å |
| 222 | I | 88.8 | Confident | 92.4 | Very high | 113 Ų | 113 | 41.8 Ų | 41.8 | 58% | 0.579 | 22% | 0.218 | S | C | * | . | trans | -85.1 | 132.8 | -175.5 | -60.2 | 170.3 | 0 | 0 | 0 | 108 | P224 | I222-P224 VanDerWaalsContact C-CD 3.47Å; I222-P224 WeakPolarHBondContact O-CD 3.45Å | ||
| 223 | R | 93.3 | Very high | 92.3 | Very high | 47 Ų | 47 | 40.7 Ų | 40.7 | 18% | 0.177 | 21% | 0.212 | C | C | . | . | trans | -118.5 | 67.6 | -166.5 | -57.1 | -57.4 | -57.9 | -73.1 | -4.6 | 113.4 | C221 E225 L226 Y792 | C221-R223 WeakPolarHBondContact O-CG 3.48Å; R223-E225 WeakPolarHBondContact CA-OE2 3.44Å; R223-E225 IonicContact CZ-OE1 3.59Å; R223-E225 IonicContact NE-OE1 3.7Å; R223-E225 PolarHBondContact NE-OE1 3.26Å; R223-E225 IonicContact NE-OE2 3.25Å; R223-E225 PolarHBondContact NE-OE2 3.22Å; R223-E225 IonicContact NH2-OE1 3.72Å; R223-E225 PolarHBondContact NH2-OE1 3.48Å; R223-E225 PolarHBondContact O-N 3.08Å; R223-L226 HydrophobicContact CB-CB 4.14Å; R223-L226 HydrophobicContact CB-CD1 3.83Å; R223-L226 HydrophobicContact CB-CG 3.95Å; R223-L226 HydrophobicContact CG-CD1 4.14Å; R223-L226 PolarHBondContact O-N 2.98Å; R223-Y792 PolarHBondContact NH1-OH 2.87Å; R223-Y792 PolarHBondContact NH2-OH 3.28Å | ||
| 224 | P | 93.2 | Very high | 91.8 | Very high | 72 Ų | 72 | 41.9 Ų | 41.9 | 47% | 0.468 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.9 | -27.7 | -177 | 29.8 | -35.8 | 0 | 0 | 0 | 112.7 | I222 L226 Q227 S228 V745 | I222-P224 VanDerWaalsContact C-CD 3.47Å; I222-P224 WeakPolarHBondContact O-CD 3.45Å; P224-L226 VanDerWaalsContact C-N 3.35Å; P224-Q227 PolarHBondContact O-N 3.49Å; P224-S228 PolarHBondContact O-N 3.21Å; P224-S228 VanDerWaalsContact O-N 3.12Å; P224-S228 PolarHBondContact O-OG 2.86Å; P224-V745 HydrophobicContact CG-CG2 4.42Å |
| 225 | E | 94.7 | Very high | 91.5 | Very high | 11 Ų | 11 | 40.3 Ų | 40.3 | 5% | 0.051 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -70 | -31.8 | 177.8 | 82.4 | -73.5 | -150.5 | 0 | 0 | 112.3 | R223 S228 I229 I703 S704 V745 L809 | R223-E225 WeakPolarHBondContact CA-OE2 3.44Å; R223-E225 IonicContact CZ-OE1 3.59Å; R223-E225 IonicContact NE-OE1 3.7Å; R223-E225 PolarHBondContact NE-OE1 3.26Å; R223-E225 IonicContact NE-OE2 3.25Å; R223-E225 PolarHBondContact NE-OE2 3.22Å; R223-E225 IonicContact NH2-OE1 3.72Å; R223-E225 PolarHBondContact NH2-OE1 3.48Å; R223-E225 PolarHBondContact O-N 3.08Å; E225-S228 PolarHBondContact O-N 2.88Å; E225-I229 WeakPolarHBondContact O-CD1 3.46Å; E225-I229 VanDerWaalsContact O-CG1 3.27Å; E225-I229 WeakPolarHBondContact O-CG1 3.49Å; E225-I229 PolarHBondContact O-N 2.9Å; E225-I703 HydrophobicContact CB-CG2 3.88Å; E225-I703 HydrophobicContact CG-CG2 3.83Å; E225-S704 WeakPolarHBondContact OE1-CB 3.47Å; E225-S704 PolarHBondContact OE1-OG 3.32Å; E225-V745 HydrophobicContact CB-CG1 4.28Å; E225-L809 HydrophobicContact CG-CD2 3.82Å |
| 226 | L | 94.3 | Very high | 91.1 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.2 | -37.6 | 174.4 | -66.7 | -174.2 | 0 | 0 | 0 | 111.6 | R223 P224 I229 F230 L293 L300 L809 | R223-L226 HydrophobicContact CB-CB 4.14Å; R223-L226 HydrophobicContact CB-CD1 3.83Å; R223-L226 HydrophobicContact CB-CG 3.95Å; R223-L226 HydrophobicContact CG-CD1 4.14Å; R223-L226 PolarHBondContact O-N 2.98Å; P224-L226 VanDerWaalsContact C-N 3.35Å; L226-I229 HydrophobicContact CD2-CD1 4.48Å; L226-I229 PolarHBondContact O-N 3.48Å; L226-F230 VanDerWaalsContact O-CB 3.29Å; L226-F230 WeakPolarHBondContact O-CB 3.48Å; L226-F230 PolarHBondContact O-N 3.41Å; L226-L293 HydrophobicContact CB-CD1 4.46Å; L226-L300 HydrophobicContact CD2-CD1 3.77Å; L226-L809 HydrophobicContact CD2-CD2 3.73Å |
| 227 | Q | 92.4 | Very high | 90.4 | Very high | 67 Ų | 67 | 56.6 Ų | 56.6 | 31% | 0.313 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.6 | -45.2 | 172 | 179.3 | 63.1 | 26.1 | 0 | 0 | 110.9 | P224 I229 F230 E231 | P224-Q227 PolarHBondContact O-N 3.49Å; Q227-I229 PolarHBondContact O-N 3.1Å; Q227-F230 WeakPolarHBondContact O-CB 3.38Å; Q227-F230 PolarHBondContact O-N 3.25Å; Q227-E231 PolarHBondContact NE2-OE1 3.42Å; Q227-E231 PolarHBondContact O-N 3.3Å |
| 228 | S | 92.9 | Very high | 90.2 | Very high | 80 Ų | 80 | 60.7 Ų | 60.7 | 56% | 0.559 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -60.3 | -42.9 | 177.3 | -58.5 | 0 | 0 | 0 | 0 | 112.9 | P224 E225 E231 E232 | P224-S228 PolarHBondContact O-N 3.21Å; P224-S228 VanDerWaalsContact O-N 3.12Å; P224-S228 PolarHBondContact O-OG 2.86Å; E225-S228 PolarHBondContact O-N 2.88Å; S228-E231 PolarHBondContact O-N 2.87Å; S228-E232 PolarHBondContact O-N 3.43Å |
| 229 | I | 93.9 | Very high | 90.1 | Very high | 8 Ų | 8 | 62 Ų | 62 | 4% | 0.041 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.9 | -41.2 | 176.1 | -65.7 | 162.1 | 0 | 0 | 0 | 110.8 | E225 L226 Q227 E231 E232 C233 F296 I703 Y790 L809 | E225-I229 WeakPolarHBondContact O-CD1 3.46Å; E225-I229 VanDerWaalsContact O-CG1 3.27Å; E225-I229 WeakPolarHBondContact O-CG1 3.49Å; E225-I229 PolarHBondContact O-N 2.9Å; L226-I229 HydrophobicContact CD2-CD1 4.48Å; L226-I229 PolarHBondContact O-N 3.48Å; Q227-I229 PolarHBondContact O-N 3.1Å; I229-E231 VanDerWaalsContact C-N 3.32Å; I229-E231 PolarHBondContact O-N 3.44Å; I229-E232 WeakPolarHBondContact O-CB 3.38Å; I229-E232 PolarHBondContact O-N 3.35Å; I229-E232 VanDerWaalsContact O-N 3.16Å; I229-C233 PolarHBondContact O-N 3.28Å; I229-C233 PolarHBondContact O-SG 2.87Å; I229-F296 HydrophobicContact CG2-CE1 3.89Å; I229-F296 HydrophobicContact CG2-CZ 3.86Å; I229-I703 HydrophobicContact CD1-CD1 4.38Å; I229-Y790 HydrophobicContact CD1-CD1 3.63Å; I229-Y790 HydrophobicContact CD1-CE1 3.65Å; I229-Y790 HydrophobicContact CD1-CG 4.26Å; I229-Y790 HydrophobicContact CG1-CD1 4.14Å; I229-Y790 HydrophobicContact CG1-CE1 3.7Å; I229-Y790 HydrophobicContact CG1-CE2 4.42Å; I229-Y790 HydrophobicContact CG2-CD1 4.44Å; I229-Y790 HydrophobicContact CG2-CD2 3.81Å; I229-Y790 HydrophobicContact CG2-CE1 4.37Å; I229-Y790 HydrophobicContact CG2-CE2 3.7Å; I229-Y790 HydrophobicContact CG2-CG 4.17Å; I229-L809 HydrophobicContact CD1-CD2 4.17Å |
| 230 | F | 94.2 | Very high | 90.2 | Very high | 1 Ų | 1 | 61.9 Ų | 61.9 | 0% | 0.004 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.4 | -37.7 | 177.7 | -167.2 | -114.5 | 0 | 0 | 0 | 112 | L226 Q227 C233 A235 I241 L291 L293 F296 | L226-F230 VanDerWaalsContact O-CB 3.29Å; L226-F230 WeakPolarHBondContact O-CB 3.48Å; L226-F230 PolarHBondContact O-N 3.41Å; Q227-F230 WeakPolarHBondContact O-CB 3.38Å; Q227-F230 PolarHBondContact O-N 3.25Å; F230-C233 WeakPolarHBondContact O-CB 3.23Å; F230-C233 PolarHBondContact O-N 3.09Å; F230-A235 HydrophobicContact CD1-CB 3.35Å; F230-A235 HydrophobicContact CE1-CB 3.51Å; F230-A235 HydrophobicContact CG-CB 3.99Å; F230-A235 HydrophobicContact CZ-CB 4.25Å; F230-A235 WeakPolarHBondContact O-CB 3.46Å; F230-A235 PolarHBondContact O-N 2.9Å; F230-I241 HydrophobicContact CD2-CG2 4.16Å; F230-I241 HydrophobicContact CE2-CB 4.38Å; F230-I241 HydrophobicContact CE2-CD1 4.16Å; F230-I241 HydrophobicContact CE2-CG1 3.92Å; F230-I241 HydrophobicContact CE2-CG2 3.87Å; F230-I241 HydrophobicContact CZ-CG1 4.44Å; F230-I241 HydrophobicContact CZ-CG2 4.12Å; F230-L291 WeakPolarHBondContact CZ-O 3.43Å; F230-L293 HydrophobicContact CB-CD1 3.63Å; F230-L293 HydrophobicContact CD1-CB 4.26Å; F230-L293 HydrophobicContact CD1-CD1 3.99Å; F230-L293 HydrophobicContact CD2-CD1 4.18Å; F230-L293 HydrophobicContact CE1-CB 4.15Å; F230-L293 HydrophobicContact CG-CD1 3.7Å; F230-L293 HydrophobicContact CZ-CB 4.33Å; F230-L293 VanDerWaalsContact CZ-N 3.32Å; F230-F296 HydrophobicContact CB-CD1 4.48Å; F230-F296 HydrophobicContact CD2-CB 3.89Å; F230-F296 AromaticContact CD2-CD1 3.79Å; F230-F296 HydrophobicContact CD2-CD1 3.79Å; F230-F296 HydrophobicContact CD2-CD2 4.34Å; F230-F296 HydrophobicContact CD2-CE1 4.39Å; F230-F296 AromaticContact CD2-CG 3.76Å; F230-F296 HydrophobicContact CD2-CG 3.76Å; F230-F296 HydrophobicContact CE2-CB 3.82Å; F230-F296 HydrophobicContact CE2-CG 4.15Å |
| 231 | E | 93.4 | Very high | 90.3 | Very high | 73 Ų | 73 | 61.9 Ų | 61.9 | 34% | 0.341 | 30% | 0.301 | S | S | . | . | I | π-helix | trans | -71.1 | -30.7 | 172.2 | -71.7 | -172.2 | -145.1 | 0 | 0 | 113.6 | Q227 S228 I229 C233 G234 | Q227-E231 PolarHBondContact NE2-OE1 3.42Å; Q227-E231 PolarHBondContact O-N 3.3Å; S228-E231 PolarHBondContact O-N 2.87Å; I229-E231 VanDerWaalsContact C-N 3.32Å; I229-E231 PolarHBondContact O-N 3.44Å; E231-C233 VanDerWaalsContact C-N 3.31Å; E231-G234 PolarHBondContact O-N 2.97Å; E231-G234 VanDerWaalsContact O-N 3.15Å |
| 232 | E | 90.7 | Very high | 90.6 | Very high | 88 Ų | 88 | 63 Ų | 63 | 41% | 0.411 | 31% | 0.309 | S | S | . | . | I | π-helix | trans | -62.1 | -39.8 | 168.1 | -161.9 | -155.1 | 152.9 | 0 | 0 | 111.1 | S228 I229 G234 K253 Y790 | S228-E232 PolarHBondContact O-N 3.43Å; I229-E232 WeakPolarHBondContact O-CB 3.38Å; I229-E232 PolarHBondContact O-N 3.35Å; I229-E232 VanDerWaalsContact O-N 3.16Å; E232-G234 PolarHBondContact O-N 3.13Å; E232-K253 IonicContact OE1-NZ 2.77Å; E232-K253 PolarHBondContact OE1-NZ 2.92Å; E232-Y790 PolarHBondContact OE2-OH 3.43Å |
| 233 | C | 89.2 | Confident | 90.9 | Very high | 17 Ų | 17 | 57.7 Ų | 57.7 | 12% | 0.115 | 28% | 0.282 | C | S | . | . | I | π-helix | trans | -69.1 | 10.9 | 173.6 | -56.3 | 0 | 0 | 0 | 0 | 113.6 | I229 F230 E231 I241 F249 | I229-C233 PolarHBondContact O-N 3.28Å; I229-C233 PolarHBondContact O-SG 2.87Å; F230-C233 WeakPolarHBondContact O-CB 3.23Å; F230-C233 PolarHBondContact O-N 3.09Å; E231-C233 VanDerWaalsContact C-N 3.31Å; C233-I241 HydrophobicContact CB-CG2 4.13Å; C233-F249 WeakPolarHBondContact SG-CD2 3.49Å |
| 234 | G | 83.9 | Confident | 91 | Very high | 25 Ų | 25 | 58.7 Ų | 58.7 | 26% | 0.258 | 29% | 0.291 | S | S | . | . | I | π-helix | trans | 87.8 | 12.4 | 174 | 0 | 0 | 0 | 0 | 0 | 115.2 | E231 E232 R236 Q245 | E231-G234 PolarHBondContact O-N 2.97Å; E231-G234 VanDerWaalsContact O-N 3.15Å; E232-G234 PolarHBondContact O-N 3.13Å; G234-R236 PolarHBondContact O-N 3.3Å; G234-R236 VanDerWaalsContact O-N 3.14Å; G234-Q245 PolarHBondContact O-NE2 2.88Å |
| 235 | A | 84.1 | Confident | 91.1 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | I | π-helix | trans | -75.4 | 18.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | F230 R237 K238 I241 | F230-A235 HydrophobicContact CD1-CB 3.35Å; F230-A235 HydrophobicContact CE1-CB 3.51Å; F230-A235 HydrophobicContact CG-CB 3.99Å; F230-A235 HydrophobicContact CZ-CB 4.25Å; F230-A235 WeakPolarHBondContact O-CB 3.46Å; F230-A235 PolarHBondContact O-N 2.9Å; A235-R237 PolarHBondContact O-N 2.98Å; A235-K238 PolarHBondContact O-N 3.24Å; A235-K238 VanDerWaalsContact O-O 3.11Å; A235-I241 HydrophobicContact CB-CG2 3.75Å |
| 236 | R | 83.4 | Confident | 91.1 | Very high | 195 Ų | 195 | 56.8 Ų | 56.8 | 74% | 0.736 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | 109.5 | -176.1 | -68 | -174.5 | 178.6 | -177 | -1.1 | 111.1 | G234 K238 | G234-R236 PolarHBondContact O-N 3.3Å; G234-R236 VanDerWaalsContact O-N 3.14Å; R236-K238 VanDerWaalsContact C-N 3.26Å; R236-K238 PolarHBondContact O-N 3.24Å |
| 237 | R | 78.7 | Confident | 91.1 | Very high | 253 Ų | 253 | 58 Ų | 58 | 96% | 0.955 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 24.2 | -174.6 | -51.9 | -180 | -179.3 | 174 | -0.3 | 115.3 | A235 | A235-R237 PolarHBondContact O-N 2.98Š|
| 238 | K | 87.3 | Confident | 91.3 | Very high | 96 Ų | 96 | 58.9 Ų | 58.9 | 42% | 0.417 | 29% | 0.289 | S | S | . | . | trans | -119.4 | 143.5 | 174.2 | -63.1 | 178.8 | -176.4 | 173.5 | 0 | 110.2 | A235 R236 F240 | A235-K238 PolarHBondContact O-N 3.24Å; A235-K238 VanDerWaalsContact O-O 3.11Å; R236-K238 VanDerWaalsContact C-N 3.26Å; R236-K238 PolarHBondContact O-N 3.24Å; K238-F240 HydrophobicContact CD-CE2 4.26Å; K238-F240 HydrophobicContact CD-CZ 4.36Å; K238-F240 PolarHBondContact O-N 2.87Å | ||
| 239 | P | 89.8 | Confident | 91.4 | Very high | 94 Ų | 94 | 55.4 Ų | 55.4 | 61% | 0.61 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -81.8 | 10.1 | 175.4 | 33.7 | -33.9 | 0 | 0 | 0 | 113.6 | ||
| 240 | F | 93.3 | Very high | 91.4 | Very high | 47 Ų | 47 | 55.7 Ų | 55.7 | 21% | 0.206 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 157.4 | -177.4 | 62.3 | -97.3 | 0 | 0 | 0 | 111.6 | K238 Q290 L291 | K238-F240 HydrophobicContact CD-CE2 4.26Å; K238-F240 HydrophobicContact CD-CZ 4.36Å; K238-F240 PolarHBondContact O-N 2.87Å; F240-Q290 HydrophobicContact CB-CB 3.97Å; F240-Q290 HydrophobicContact CB-CG 4.34Å; F240-Q290 HydrophobicContact CD1-CG 4.49Å; F240-Q290 HydrophobicContact CD2-CB 4.1Å; F240-Q290 HydrophobicContact CD2-CG 3.54Å; F240-Q290 HydrophobicContact CE2-CG 3.89Å; F240-Q290 HydrophobicContact CG-CB 4.07Å; F240-Q290 HydrophobicContact CG-CG 3.89Å; F240-L291 VanDerWaalsContact CA-O 3.27Å; F240-L291 WeakPolarHBondContact CA-O 3.4Å |
| 241 | I | 95.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 151.1 | 154.8 | 60.1 | -179.3 | 0 | 0 | 0 | 109.7 | F230 C233 A235 Q245 F246 Q290 L291 F296 | F230-I241 HydrophobicContact CD2-CG2 4.16Å; F230-I241 HydrophobicContact CE2-CB 4.38Å; F230-I241 HydrophobicContact CE2-CD1 4.16Å; F230-I241 HydrophobicContact CE2-CG1 3.92Å; F230-I241 HydrophobicContact CE2-CG2 3.87Å; F230-I241 HydrophobicContact CZ-CG1 4.44Å; F230-I241 HydrophobicContact CZ-CG2 4.12Å; C233-I241 HydrophobicContact CB-CG2 4.13Å; A235-I241 HydrophobicContact CB-CG2 3.75Å; I241-Q245 HydrophobicContact CB-CB 4.16Å; I241-F246 HydrophobicContact CD1-CB 3.83Å; I241-F246 HydrophobicContact CD1-CD2 3.83Å; I241-F246 HydrophobicContact CD1-CG 4.13Å; I241-F246 HydrophobicContact CG1-CB 4.39Å; I241-Q290 WeakPolarHBondContact O-CA 3.21Å; I241-L291 HydrophobicContact CD1-CD2 4.32Å; I241-L291 HydrophobicContact CG1-CB 3.97Å; I241-L291 PolarHBondContact N-O 2.92Å; I241-L291 PolarHBondContact O-N 3.01Å; I241-F296 HydrophobicContact CD1-CD2 4.16Å |
| 242 | S | 95.4 | Very high | 91.3 | Very high | 33 Ų | 33 | 58.4 Ų | 58.4 | 23% | 0.231 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 163.4 | 171 | 63.1 | 0 | 0 | 0 | 0 | 112.1 | D244 Q245 F246 D289 | S242-D244 VanDerWaalsContact C-N 3.28Å; S242-D244 PolarHBondContact O-N 3.17Å; S242-Q245 PolarHBondContact O-N 2.93Å; S242-Q245 VanDerWaalsContact O-N 3.14Å; S242-Q245 WeakPolarHBondContact OG-CG 3.36Å; S242-Q245 PolarHBondContact OG-N 3.4Å; S242-Q245 PolarHBondContact OG-OE1 2.86Å; S242-F246 PolarHBondContact O-N 3.44Å; S242-D289 CarbonylContact C-O 3.46Å; S242-D289 WeakPolarHBondContact CA-O 3.38Å |
| 243 | L | 95.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -52.9 | -44.8 | 173.9 | -170.5 | 167.6 | 0 | 0 | 0 | 111.7 | Q245 F246 L247 R269 V272 R273 M276 D289 | L243-Q245 PolarHBondContact O-N 3.25Å; L243-F246 CarbonylContact O-C 3.51Å; L243-F246 PolarHBondContact O-N 3.18Å; L243-F246 VanDerWaalsContact O-N 3.13Å; L243-L247 WeakPolarHBondContact O-CB 3.28Å; L243-L247 PolarHBondContact O-N 2.78Å; L243-R269 HydrophobicContact CD1-CG 4.24Å; L243-R269 HydrophobicContact CD2-CB 4.47Å; L243-R269 HydrophobicContact CD2-CG 3.44Å; L243-R269 VanDerWaalsContact CD2-CG 3.44Å; L243-V272 HydrophobicContact CD2-CB 4.29Å; L243-V272 HydrophobicContact CD2-CG1 4.13Å; L243-V272 HydrophobicContact CG-CG1 4.24Å; L243-R273 HydrophobicContact CD1-CB 3.99Å; L243-R273 HydrophobicContact CD1-CG 4.17Å; L243-M276 HydrophobicContact CB-CE 4.14Å; L243-M276 HydrophobicContact CB-SD 3.73Å; L243-M276 HydrophobicContact CD1-SD 4.25Å; L243-M276 HydrophobicContact CG-SD 3.68Å; L243-D289 HydrophobicContact CB-CB 3.95Å; L243-D289 HydrophobicContact CD1-CB 4.29Å; L243-D289 WeakPolarHBondContact CD1-OD2 3.4Å; L243-D289 PolarHBondContact N-O 2.9Å |
| 244 | D | 95 | Very high | 91.5 | Very high | 68 Ų | 68 | 57.5 Ų | 57.5 | 36% | 0.364 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58 | -47.7 | 176 | -60.4 | -94.1 | 0 | 0 | 0 | 112.3 | S242 F246 L247 D248 R269 | S242-D244 VanDerWaalsContact C-N 3.28Å; S242-D244 PolarHBondContact O-N 3.17Å; D244-F246 PolarHBondContact O-N 3.31Å; D244-L247 WeakPolarHBondContact O-CB 3.4Å; D244-L247 PolarHBondContact O-N 2.86Å; D244-L247 VanDerWaalsContact O-N 3.15Å; D244-D248 PolarHBondContact O-N 2.82Å; D244-R269 VanDerWaalsContact CG-NH1 3.3Å; D244-R269 IonicContact OD1-CZ 3.63Å; D244-R269 IonicContact OD1-NH1 2.68Å; D244-R269 PolarHBondContact OD1-NH1 2.7Å; D244-R269 IonicContact OD1-NH2 3.68Å; D244-R269 IonicContact OD2-CZ 3.47Å; D244-R269 IonicContact OD2-NH1 3.3Å; D244-R269 PolarHBondContact OD2-NH1 2.99Å; D244-R269 IonicContact OD2-NH2 2.75Å; D244-R269 PolarHBondContact OD2-NH2 3.24Å |
| 245 | Q | 95.4 | Very high | 91.8 | Very high | 41 Ų | 41 | 58.1 Ų | 58.1 | 19% | 0.192 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.5 | -30.5 | 176.7 | -66.1 | 175.7 | -64.9 | 0 | 0 | 112.6 | G234 I241 S242 L243 F249 | G234-Q245 PolarHBondContact O-NE2 2.88Å; I241-Q245 HydrophobicContact CB-CB 4.16Å; S242-Q245 PolarHBondContact O-N 2.93Å; S242-Q245 VanDerWaalsContact O-N 3.14Å; S242-Q245 WeakPolarHBondContact OG-CG 3.36Å; S242-Q245 PolarHBondContact OG-N 3.4Å; S242-Q245 PolarHBondContact OG-OE1 2.86Å; L243-Q245 PolarHBondContact O-N 3.25Å; Q245-F249 WeakPolarHBondContact O-CB 3.33Å; Q245-F249 PolarHBondContact O-N 3.31Å |
| 246 | F | 95.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 58.9 Ų | 58.9 | 0% | 0.004 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -79.8 | -31.3 | 175.7 | -169.9 | -131.4 | 0 | 0 | 0 | 112.7 | I241 S242 L243 D244 F249 L250 V272 V275 M276 L291 F296 F299 | I241-F246 HydrophobicContact CD1-CB 3.83Å; I241-F246 HydrophobicContact CD1-CD2 3.83Å; I241-F246 HydrophobicContact CD1-CG 4.13Å; I241-F246 HydrophobicContact CG1-CB 4.39Å; S242-F246 PolarHBondContact O-N 3.44Å; L243-F246 CarbonylContact O-C 3.51Å; L243-F246 PolarHBondContact O-N 3.18Å; L243-F246 VanDerWaalsContact O-N 3.13Å; D244-F246 PolarHBondContact O-N 3.31Å; F246-F249 AromaticContact CD2-CD1 3.8Å; F246-F249 HydrophobicContact CD2-CD1 3.8Å; F246-F249 AromaticContact CE2-CD1 3.81Å; F246-F249 HydrophobicContact CE2-CD1 3.81Å; F246-F249 HydrophobicContact CE2-CE1 4.13Å; F246-F249 PolarHBondContact O-N 3.09Å; F246-L250 HydrophobicContact CD1-CD1 4.05Å; F246-L250 HydrophobicContact CD2-CD1 4.5Å; F246-L250 HydrophobicContact CD2-CG 4.37Å; F246-L250 HydrophobicContact CE1-CD1 3.79Å; F246-L250 HydrophobicContact CE2-CD1 4.26Å; F246-L250 HydrophobicContact CE2-CD2 4.25Å; F246-L250 HydrophobicContact CE2-CG 4.13Å; F246-L250 HydrophobicContact CG-CD1 4.39Å; F246-L250 HydrophobicContact CZ-CD1 3.9Å; F246-L250 HydrophobicContact CZ-CD2 4.24Å; F246-L250 HydrophobicContact CZ-CG 4.21Å; F246-L250 WeakPolarHBondContact O-CB 3.47Å; F246-L250 WeakPolarHBondContact O-CG 3.35Å; F246-L250 PolarHBondContact O-N 3.28Å; F246-V272 HydrophobicContact CB-CG1 4.39Å; F246-V272 HydrophobicContact CD1-CG1 3.54Å; F246-V272 HydrophobicContact CE1-CG1 4.21Å; F246-V272 HydrophobicContact CG-CG1 4.3Å; F246-V275 HydrophobicContact CE1-CB 4.4Å; F246-V275 HydrophobicContact CE1-CG1 3.79Å; F246-V275 HydrophobicContact CZ-CG1 4.04Å; F246-M276 HydrophobicContact CD1-CG 3.62Å; F246-M276 HydrophobicContact CD1-SD 4.01Å; F246-M276 HydrophobicContact CE1-CG 3.88Å; F246-L291 HydrophobicContact CD1-CD2 4.04Å; F246-L291 HydrophobicContact CD2-CD2 4.03Å; F246-L291 HydrophobicContact CE1-CD2 3.95Å; F246-L291 HydrophobicContact CE2-CD2 3.94Å; F246-L291 HydrophobicContact CG-CD2 4.09Å; F246-L291 HydrophobicContact CZ-CD2 3.91Å; F246-F296 HydrophobicContact CD2-CD2 4.46Å; F246-F296 HydrophobicContact CE2-CD2 4.2Å; F246-F296 HydrophobicContact CE2-CE2 4.44Å; F246-F299 HydrophobicContact CE2-CD1 4.09Å; F246-F299 HydrophobicContact CE2-CE1 4.42Å; F246-F299 HydrophobicContact CE2-CG 4.31Å; F246-F299 HydrophobicContact CZ-CB 4.41Å; F246-F299 HydrophobicContact CZ-CD1 4.09Å; F246-F299 HydrophobicContact CZ-CD2 4.01Å; F246-F299 HydrophobicContact CZ-CE1 4.48Å; F246-F299 HydrophobicContact CZ-CE2 4.39Å; F246-F299 AromaticContact CZ-CG 3.85Å; F246-F299 HydrophobicContact CZ-CG 3.85Å |
| 247 | L | 95.5 | Very high | 92.3 | Very high | 30 Ų | 30 | 52.7 Ų | 52.7 | 16% | 0.157 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.9 | -49.3 | 170.8 | 173 | 71.7 | 0 | 0 | 0 | 110.4 | L243 D244 L250 N251 L267 V272 | L243-L247 WeakPolarHBondContact O-CB 3.28Å; L243-L247 PolarHBondContact O-N 2.78Å; D244-L247 WeakPolarHBondContact O-CB 3.4Å; D244-L247 PolarHBondContact O-N 2.86Å; D244-L247 VanDerWaalsContact O-N 3.15Å; L247-L250 PolarHBondContact O-N 3.38Å; L247-N251 WeakPolarHBondContact CD1-ND2 3.5Å; L247-N251 WeakPolarHBondContact O-CB 3.35Å; L247-N251 PolarHBondContact O-N 2.85Å; L247-N251 PolarHBondContact O-ND2 3.22Å; L247-L267 WeakPolarHBondContact CD1-O 3.37Å; L247-V272 HydrophobicContact CB-CG1 4.39Å; L247-V272 HydrophobicContact CB-CG2 4.27Å; L247-V272 HydrophobicContact CD1-CB 4.47Å; L247-V272 HydrophobicContact CD1-CG2 3.57Å |
| 248 | D | 95 | Very high | 92.8 | Very high | 86 Ų | 86 | 43 Ų | 43 | 46% | 0.46 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.2 | -47.1 | 175 | -59 | -16.3 | 0 | 0 | 0 | 110.3 | D244 L250 N251 D252 | D244-D248 PolarHBondContact O-N 2.82Å; D248-L250 PolarHBondContact O-N 2.86Å; D248-N251 PolarHBondContact O-N 3.07Å; D248-D252 WeakPolarHBondContact O-CA 3.42Å; D248-D252 WeakPolarHBondContact O-CB 3.41Å; D248-D252 PolarHBondContact O-N 3.12Å |
| 249 | F | 95.1 | Very high | 92.9 | Very high | 6 Ų | 6 | 41.7 Ų | 41.7 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | I | π-helix | trans | -56.1 | -45.9 | 174.9 | 170.6 | -100.2 | 0 | 0 | 0 | 113 | C233 Q245 F246 K253 Q254 F296 F299 L300 Y790 | C233-F249 WeakPolarHBondContact SG-CD2 3.49Å; Q245-F249 WeakPolarHBondContact O-CB 3.33Å; Q245-F249 PolarHBondContact O-N 3.31Å; F246-F249 AromaticContact CD2-CD1 3.8Å; F246-F249 HydrophobicContact CD2-CD1 3.8Å; F246-F249 AromaticContact CE2-CD1 3.81Å; F246-F249 HydrophobicContact CE2-CD1 3.81Å; F246-F249 HydrophobicContact CE2-CE1 4.13Å; F246-F249 PolarHBondContact O-N 3.09Å; F249-K253 HydrophobicContact CD2-CB 4Å; F249-K253 HydrophobicContact CD2-CG 4.22Å; F249-K253 HydrophobicContact CE2-CB 4.3Å; F249-K253 WeakPolarHBondContact O-CA 3.28Å; F249-K253 VanDerWaalsContact O-CB 3.29Å; F249-K253 WeakPolarHBondContact O-CB 3.35Å; F249-K253 PolarHBondContact O-N 3.5Å; F249-Q254 HydrophobicContact CD1-CG 3.94Å; F249-Q254 HydrophobicContact CE1-CG 3.4Å; F249-Q254 HydrophobicContact CE2-CG 4.19Å; F249-Q254 VanDerWaalsContact CZ-CD 3.41Å; F249-Q254 HydrophobicContact CZ-CG 3.55Å; F249-Q254 PolarHBondContact O-N 3.34Å; F249-F296 HydrophobicContact CD1-CE2 4.04Å; F249-F296 HydrophobicContact CD2-CE2 4.49Å; F249-F296 AromaticContact CE1-CE2 3.6Å; F249-F296 HydrophobicContact CE1-CE2 3.6Å; F249-F296 HydrophobicContact CE1-CZ 4.16Å; F249-F296 HydrophobicContact CE2-CE2 4.08Å; F249-F296 AromaticContact CE2-CZ 3.96Å; F249-F296 HydrophobicContact CE2-CZ 3.96Å; F249-F296 HydrophobicContact CG-CE2 4.46Å; F249-F296 AromaticContact CZ-CE2 3.62Å; F249-F296 HydrophobicContact CZ-CE2 3.62Å; F249-F296 AromaticContact CZ-CZ 3.68Å; F249-F296 HydrophobicContact CZ-CZ 3.68Å; F249-F299 HydrophobicContact CE1-CD1 4.47Å; F249-F299 AromaticContact CE1-CE1 3.97Å; F249-F299 HydrophobicContact CE1-CE1 3.97Å; F249-L300 HydrophobicContact CZ-CD2 4.32Å; F249-Y790 AromaticContact CE2-CD2 3.94Å; F249-Y790 HydrophobicContact CE2-CD2 3.94Å; F249-Y790 HydrophobicContact CZ-CD2 4.42Å |
| 250 | L | 94.3 | Very high | 92.9 | Very high | 15 Ų | 15 | 41.3 Ų | 41.3 | 8% | 0.079 | 21% | 0.214 | C | C | . | . | I | π-helix | trans | -68.5 | -40.7 | -178.8 | -71.8 | 169.8 | 0 | 0 | 0 | 112.4 | F246 L247 D248 Q254 R255 L267 V272 F299 | F246-L250 HydrophobicContact CD1-CD1 4.05Å; F246-L250 HydrophobicContact CD2-CD1 4.5Å; F246-L250 HydrophobicContact CD2-CG 4.37Å; F246-L250 HydrophobicContact CE1-CD1 3.79Å; F246-L250 HydrophobicContact CE2-CD1 4.26Å; F246-L250 HydrophobicContact CE2-CD2 4.25Å; F246-L250 HydrophobicContact CE2-CG 4.13Å; F246-L250 HydrophobicContact CG-CD1 4.39Å; F246-L250 HydrophobicContact CZ-CD1 3.9Å; F246-L250 HydrophobicContact CZ-CD2 4.24Å; F246-L250 HydrophobicContact CZ-CG 4.21Å; F246-L250 WeakPolarHBondContact O-CB 3.47Å; F246-L250 WeakPolarHBondContact O-CG 3.35Å; F246-L250 PolarHBondContact O-N 3.28Å; L247-L250 PolarHBondContact O-N 3.38Å; D248-L250 PolarHBondContact O-N 2.86Å; L250-Q254 HydrophobicContact CD2-CG 4.36Å; L250-R255 PolarHBondContact O-N 2.92Å; L250-R255 VanDerWaalsContact O-N 3.17Å; L250-L267 HydrophobicContact CB-CD1 4.21Å; L250-L267 HydrophobicContact CD1-CD1 3.97Å; L250-V272 HydrophobicContact CD1-CB 4.45Å; L250-V272 HydrophobicContact CD1-CG1 3.99Å; L250-V272 HydrophobicContact CD1-CG2 3.84Å; L250-F299 HydrophobicContact CD2-CE1 3.96Å; L250-F299 HydrophobicContact CD2-CE2 3.95Å; L250-F299 HydrophobicContact CD2-CZ 3.39Å |
| 251 | N | 94.3 | Very high | 92.7 | Very high | 30 Ų | 30 | 45.7 Ų | 45.7 | 16% | 0.16 | 24% | 0.235 | C | C | . | . | I | π-helix | trans | -84.7 | -31.3 | -176.4 | -71.7 | -32 | 0 | 0 | 0 | 113.8 | L247 D248 R255 P266 L267 | L247-N251 WeakPolarHBondContact CD1-ND2 3.5Å; L247-N251 WeakPolarHBondContact O-CB 3.35Å; L247-N251 PolarHBondContact O-N 2.85Å; L247-N251 PolarHBondContact O-ND2 3.22Å; D248-N251 PolarHBondContact O-N 3.07Å; N251-R255 WeakPolarHBondContact O-CB 3.46Å; N251-P266 WeakPolarHBondContact OD1-CA 3.42Å; N251-P266 WeakPolarHBondContact OD1-CB 3.48Å; N251-L267 PolarHBondContact ND2-O 2.83Å; N251-L267 PolarHBondContact OD1-N 2.88Å |
| 252 | D | 91.1 | Very high | 92.3 | Very high | 101 Ų | 101 | 50.6 Ų | 50.6 | 54% | 0.54 | 26% | 0.264 | S | S | . | . | I | π-helix | trans | -104.6 | -26 | -173.7 | -61.3 | -6 | 0 | 0 | 0 | 113.7 | D248 R788 | D248-D252 WeakPolarHBondContact O-CA 3.42Å; D248-D252 WeakPolarHBondContact O-CB 3.41Å; D248-D252 PolarHBondContact O-N 3.12Å; D252-R788 PolarHBondContact O-NH1 3.4Å |
| 253 | K | 91.9 | Very high | 91.8 | Very high | 77 Ų | 77 | 53 Ų | 53 | 34% | 0.335 | 28% | 0.275 | S | S | . | . | I | π-helix | trans | -108.2 | -43.7 | -179.1 | -58.5 | -79.4 | -178.9 | 161.1 | 0 | 112.5 | E232 F249 G789 | E232-K253 IonicContact OE1-NZ 2.77Å; E232-K253 PolarHBondContact OE1-NZ 2.92Å; F249-K253 HydrophobicContact CD2-CB 4Å; F249-K253 HydrophobicContact CD2-CG 4.22Å; F249-K253 HydrophobicContact CE2-CB 4.3Å; F249-K253 WeakPolarHBondContact O-CA 3.28Å; F249-K253 VanDerWaalsContact O-CB 3.29Å; F249-K253 WeakPolarHBondContact O-CB 3.35Å; F249-K253 PolarHBondContact O-N 3.5Å; K253-G789 WeakPolarHBondContact O-CA 3.37Å; K253-G789 PolarHBondContact O-N 3.41Å |
| 254 | Q | 92.6 | Very high | 91.4 | Very high | 8 Ų | 8 | 57.4 Ų | 57.4 | 4% | 0.037 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -88.9 | -19.4 | -176.6 | -56.4 | -62.2 | 98 | 0 | 0 | 114 | F249 L250 N305 R788 G789 Y790 R791 | F249-Q254 HydrophobicContact CD1-CG 3.94Å; F249-Q254 HydrophobicContact CE1-CG 3.4Å; F249-Q254 HydrophobicContact CE2-CG 4.19Å; F249-Q254 VanDerWaalsContact CZ-CD 3.41Å; F249-Q254 HydrophobicContact CZ-CG 3.55Å; F249-Q254 PolarHBondContact O-N 3.34Å; L250-Q254 HydrophobicContact CD2-CG 4.36Å; Q254-N305 PolarHBondContact NE2-OD1 3.2Å; Q254-R788 VanDerWaalsContact O-O 3.07Å; Q254-G789 VanDerWaalsContact OE1-CA 3.25Å; Q254-Y790 PolarHBondContact NE2-O 3.17Å; Q254-R791 PolarHBondContact O-NH2 3.43Å |
| 255 | R | 91.1 | Very high | 91.2 | Very high | 39 Ų | 39 | 58 Ų | 58 | 15% | 0.147 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -77.5 | 134.7 | 177.8 | -169.7 | -166.8 | 166.1 | 74.8 | 6.7 | 111.8 | L250 N251 L259 Y264 R788 | L250-R255 PolarHBondContact O-N 2.92Å; L250-R255 VanDerWaalsContact O-N 3.17Å; N251-R255 WeakPolarHBondContact O-CB 3.46Å; R255-L259 PolarHBondContact NH2-O 3.19Å; R255-Y264 PolarHBondContact NH1-O 2.93Å; R255-Y264 PolarHBondContact NH2-O 3.34Å; R255-R788 VanDerWaalsContact O-CB 3.32Å; R255-R788 WeakPolarHBondContact O-CB 3.48Å; R255-R788 WeakPolarHBondContact O-CD 3.34Å |
| 256 | D | 89.5 | Confident | 91 | Very high | 15 Ų | 15 | 58.8 Ų | 58.8 | 8% | 0.08 | 31% | 0.308 | C | S | . | . | trans | -72.7 | 121.5 | 166.1 | -177.7 | -8.6 | 0 | 0 | 0 | 110.5 | R258 L259 | D256-R258 PolarHBondContact O-N 2.92Å; D256-R258 VanDerWaalsContact OD1-CB 3.31Å; D256-R258 WeakPolarHBondContact OD1-CB 3.48Å; D256-R258 WeakPolarHBondContact OD1-CG 3.46Å; D256-R258 IonicContact OD1-CZ 3.16Å; D256-R258 PolarHBondContact OD1-N 2.79Å; D256-R258 IonicContact OD1-NE 3.24Å; D256-R258 PolarHBondContact OD1-NE 3.42Å; D256-R258 IonicContact OD1-NH2 3.26Å; D256-R258 IonicContact OD2-CZ 2.91Å; D256-R258 IonicContact OD2-NE 2.8Å; D256-R258 PolarHBondContact OD2-NE 3.17Å; D256-R258 IonicContact OD2-NH2 2.79Å; D256-R258 PolarHBondContact OD2-NH2 3.07Å; D256-L259 HydrophobicContact CB-CD1 3.97Å; D256-L259 HydrophobicContact CB-CG 4Å; D256-L259 PolarHBondContact O-N 3.48Å | ||
| 257 | S | 87.6 | Confident | 90.9 | Very high | 66 Ų | 66 | 61.9 Ų | 61.9 | 46% | 0.462 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -17.1 | -177.5 | 56.2 | 0 | 0 | 0 | 0 | 113.5 | L259 | S257-L259 PolarHBondContact O-N 3.13Š|
| 258 | R | 89.8 | Confident | 90.8 | Very high | 50 Ų | 50 | 67.3 Ų | 67.3 | 19% | 0.189 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -14 | 176.8 | -53.1 | 173.2 | -64.6 | 169.8 | 6.3 | 112.3 | D256 N696 V783 L786 | D256-R258 PolarHBondContact O-N 2.92Å; D256-R258 VanDerWaalsContact OD1-CB 3.31Å; D256-R258 WeakPolarHBondContact OD1-CB 3.48Å; D256-R258 WeakPolarHBondContact OD1-CG 3.46Å; D256-R258 IonicContact OD1-CZ 3.16Å; D256-R258 PolarHBondContact OD1-N 2.79Å; D256-R258 IonicContact OD1-NE 3.24Å; D256-R258 PolarHBondContact OD1-NE 3.42Å; D256-R258 IonicContact OD1-NH2 3.26Å; D256-R258 IonicContact OD2-CZ 2.91Å; D256-R258 IonicContact OD2-NE 2.8Å; D256-R258 PolarHBondContact OD2-NE 3.17Å; D256-R258 IonicContact OD2-NH2 2.79Å; D256-R258 PolarHBondContact OD2-NH2 3.07Å; R258-N696 VanDerWaalsContact CD-OD1 3.25Å; R258-N696 WeakPolarHBondContact CD-OD1 3.39Å; R258-N696 PolarHBondContact NH1-OD1 2.91Å; R258-V783 PolarHBondContact NH1-O 3.14Å; R258-V783 PolarHBondContact NH2-O 3.47Å; R258-L786 PolarHBondContact NH2-O 2.82Å |
| 259 | L | 89.1 | Confident | 90.9 | Very high | 67 Ų | 67 | 68 Ų | 68 | 35% | 0.351 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -82.9 | 124 | -178.8 | -64 | 179.4 | 0 | 0 | 0 | 111.4 | R255 D256 S257 E261 Y264 | R255-L259 PolarHBondContact NH2-O 3.19Å; D256-L259 HydrophobicContact CB-CD1 3.97Å; D256-L259 HydrophobicContact CB-CG 4Å; D256-L259 PolarHBondContact O-N 3.48Å; S257-L259 PolarHBondContact O-N 3.13Å; L259-E261 PolarHBondContact O-N 3.15Å; L259-Y264 HydrophobicContact CB-CD2 4.14Å; L259-Y264 HydrophobicContact CB-CG 4.41Å; L259-Y264 HydrophobicContact CD1-CG 4.44Å; L259-Y264 HydrophobicContact CD2-CD2 4.17Å; L259-Y264 HydrophobicContact CD2-CE2 4.18Å |
| 260 | N | 89.4 | Confident | 90.9 | Very high | 87 Ų | 87 | 72.9 Ų | 72.9 | 47% | 0.465 | 37% | 0.369 | S | S | . | . | trans | -56.5 | 131.2 | 175.7 | 178.6 | -84.6 | 0 | 0 | 0 | 112.4 | V262 L263 Y264 | N260-V262 VanDerWaalsContact C-N 3.33Å; N260-V262 PolarHBondContact O-N 3.06Å; N260-V262 WeakPolarHBondContact OD1-CA 3.17Å; N260-V262 WeakPolarHBondContact OD1-CB 3.26Å; N260-V262 PolarHBondContact OD1-N 2.78Å; N260-L263 HydrophobicContact CB-CB 4.46Å; N260-L263 HydrophobicContact CB-CD1 4.34Å; N260-L263 HydrophobicContact CB-CG 4.47Å; N260-L263 PolarHBondContact OD1-N 2.65Å; N260-L263 VanDerWaalsContact OD1-N 3.1Å; N260-Y264 PolarHBondContact O-N 3.23Å | ||
| 261 | E | 88.3 | Confident | 90.8 | Very high | 138 Ų | 138 | 76.2 Ų | 76.2 | 65% | 0.645 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -17.6 | -174.3 | -57.3 | -175 | 160.8 | 0 | 0 | 114.8 | L259 P265 | L259-E261 PolarHBondContact O-N 3.15Å; E261-P265 WeakPolarHBondContact O-CA 3.31Å |
| 262 | V | 88.1 | Confident | 90.9 | Very high | 103 Ų | 103 | 74.8 Ų | 74.8 | 62% | 0.624 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -37.1 | 179.6 | -175 | 0 | 0 | 0 | 0 | 111.3 | K5 N260 | K5-V262 PolarHBondContact NZ-O 2.78Å; N260-V262 VanDerWaalsContact C-N 3.33Å; N260-V262 PolarHBondContact O-N 3.06Å; N260-V262 WeakPolarHBondContact OD1-CA 3.17Å; N260-V262 WeakPolarHBondContact OD1-CB 3.26Å; N260-V262 PolarHBondContact OD1-N 2.78Å |
| 263 | L | 85.3 | Confident | 91 | Very high | 85 Ų | 85 | 73.7 Ų | 73.7 | 45% | 0.445 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -47.1 | 174.1 | -63.5 | 178.6 | 0 | 0 | 0 | 111.4 | N260 P265 | N260-L263 HydrophobicContact CB-CB 4.46Å; N260-L263 HydrophobicContact CB-CD1 4.34Å; N260-L263 HydrophobicContact CB-CG 4.47Å; N260-L263 PolarHBondContact OD1-N 2.65Å; N260-L263 VanDerWaalsContact OD1-N 3.1Å; L263-P265 WeakPolarHBondContact O-CD 3.49Å |
| 264 | Y | 86.6 | Confident | 91.2 | Very high | 93 Ų | 93 | 76 Ų | 76 | 37% | 0.365 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -117 | 82.3 | 178.8 | -58.5 | -83.8 | 0 | 0 | 0 | 108.9 | R255 L259 N260 | R255-Y264 PolarHBondContact NH1-O 2.93Å; R255-Y264 PolarHBondContact NH2-O 3.34Å; L259-Y264 HydrophobicContact CB-CD2 4.14Å; L259-Y264 HydrophobicContact CB-CG 4.41Å; L259-Y264 HydrophobicContact CD1-CG 4.44Å; L259-Y264 HydrophobicContact CD2-CD2 4.17Å; L259-Y264 HydrophobicContact CD2-CE2 4.18Å; N260-Y264 PolarHBondContact O-N 3.23Å |
| 265 | P | 89.8 | Confident | 91.2 | Very high | 81 Ų | 81 | 76.8 Ų | 76.8 | 53% | 0.526 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 150.2 | -178.8 | 25.4 | -34.4 | 0 | 0 | 0 | 112.9 | E261 L263 | E261-P265 WeakPolarHBondContact O-CA 3.31Å; L263-P265 WeakPolarHBondContact O-CD 3.49Å |
| 266 | P | 91.6 | Very high | 91.3 | Very high | 57 Ų | 57 | 75 Ų | 75 | 37% | 0.37 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -61 | 153.5 | 166.8 | 27.7 | -34.2 | 0 | 0 | 0 | 110.5 | N251 | N251-P266 WeakPolarHBondContact OD1-CA 3.42Å; N251-P266 WeakPolarHBondContact OD1-CB 3.48Å |
| 267 | L | 92.6 | Very high | 91.6 | Very high | 66 Ų | 66 | 78.7 Ų | 78.7 | 35% | 0.346 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 137.9 | 178.5 | -70.2 | 172.4 | 0 | 0 | 0 | 110.2 | L247 L250 N251 Q271 V272 | L247-L267 WeakPolarHBondContact CD1-O 3.37Å; L250-L267 HydrophobicContact CB-CD1 4.21Å; L250-L267 HydrophobicContact CD1-CD1 3.97Å; N251-L267 PolarHBondContact ND2-O 2.83Å; N251-L267 PolarHBondContact OD1-N 2.88Å; L267-Q271 HydrophobicContact CD2-CB 4.18Å; L267-V272 HydrophobicContact CB-CG2 3.85Å; L267-V272 HydrophobicContact CD1-CG2 4.47Å |
| 268 | K | 94.9 | Very high | 91.8 | Very high | 144 Ų | 144 | 81.1 Ų | 81.1 | 63% | 0.626 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -87.8 | 159.6 | 174.7 | -62.1 | -173.5 | 177.4 | -172.2 | 0 | 111.4 | D270 Q271 V272 | K268-D270 VanDerWaalsContact C-N 3.27Å; K268-D270 PolarHBondContact O-N 2.68Å; K268-D270 VanDerWaalsContact O-N 3.16Å; K268-Q271 HydrophobicContact CB-CG 4.43Å; K268-Q271 WeakPolarHBondContact O-CB 3.42Å; K268-Q271 PolarHBondContact O-N 3.4Å; K268-V272 PolarHBondContact O-N 2.85Å |
| 269 | R | 95.3 | Very high | 92 | Very high | 100 Ų | 100 | 79.7 Ų | 79.7 | 38% | 0.377 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -45 | -49.7 | 178.5 | -161.4 | -171 | -172.2 | 78.3 | 10.2 | 113 | L243 D244 Q271 V272 R273 | L243-R269 HydrophobicContact CD1-CG 4.24Å; L243-R269 HydrophobicContact CD2-CB 4.47Å; L243-R269 HydrophobicContact CD2-CG 3.44Å; L243-R269 VanDerWaalsContact CD2-CG 3.44Å; D244-R269 VanDerWaalsContact CG-NH1 3.3Å; D244-R269 IonicContact OD1-CZ 3.63Å; D244-R269 IonicContact OD1-NH1 2.68Å; D244-R269 PolarHBondContact OD1-NH1 2.7Å; D244-R269 IonicContact OD1-NH2 3.68Å; D244-R269 IonicContact OD2-CZ 3.47Å; D244-R269 IonicContact OD2-NH1 3.3Å; D244-R269 PolarHBondContact OD2-NH1 2.99Å; D244-R269 IonicContact OD2-NH2 2.75Å; D244-R269 PolarHBondContact OD2-NH2 3.24Å; R269-Q271 VanDerWaalsContact C-N 3.31Å; R269-Q271 PolarHBondContact O-N 3.42Å; R269-V272 PolarHBondContact O-N 3.47Å; R269-R273 PolarHBondContact O-N 3.18Å |
| 270 | D | 95.1 | Very high | 92.2 | Very high | 109 Ų | 109 | 77.1 Ų | 77.1 | 58% | 0.583 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -67.1 | -31.8 | -176.7 | -40.8 | -47.2 | 0 | 0 | 0 | 112.6 | K268 R273 Q274 | K268-D270 VanDerWaalsContact C-N 3.27Å; K268-D270 PolarHBondContact O-N 2.68Å; K268-D270 VanDerWaalsContact O-N 3.16Å; D270-R273 WeakPolarHBondContact O-CB 3.27Å; D270-Q274 WeakPolarHBondContact O-CG 3.48Å; D270-Q274 PolarHBondContact O-N 2.79Å; D270-Q274 VanDerWaalsContact O-N 3.14Å |
| 271 | Q | 94.1 | Very high | 92.1 | Very high | 85 Ų | 85 | 76.5 Ų | 76.5 | 40% | 0.397 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -74.6 | -39.3 | 176.6 | -60.5 | 174.6 | -57.6 | 0 | 0 | 110.8 | L267 K268 R269 R273 Q274 V275 | L267-Q271 HydrophobicContact CD2-CB 4.18Å; K268-Q271 HydrophobicContact CB-CG 4.43Å; K268-Q271 WeakPolarHBondContact O-CB 3.42Å; K268-Q271 PolarHBondContact O-N 3.4Å; R269-Q271 VanDerWaalsContact C-N 3.31Å; R269-Q271 PolarHBondContact O-N 3.42Å; Q271-R273 VanDerWaalsContact C-N 3.3Å; Q271-Q274 PolarHBondContact O-N 3.27Å; Q271-V275 WeakPolarHBondContact O-CG2 3.35Å; Q271-V275 PolarHBondContact O-N 3.06Å; Q271-V275 VanDerWaalsContact O-N 3.08Å |
| 272 | V | 94.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.1 | -36.5 | 172.9 | 177.9 | 0 | 0 | 0 | 0 | 110.9 | L243 F246 L247 L250 L267 K268 R269 V275 M276 | L243-V272 HydrophobicContact CD2-CB 4.29Å; L243-V272 HydrophobicContact CD2-CG1 4.13Å; L243-V272 HydrophobicContact CG-CG1 4.24Å; F246-V272 HydrophobicContact CB-CG1 4.39Å; F246-V272 HydrophobicContact CD1-CG1 3.54Å; F246-V272 HydrophobicContact CE1-CG1 4.21Å; F246-V272 HydrophobicContact CG-CG1 4.3Å; L247-V272 HydrophobicContact CB-CG1 4.39Å; L247-V272 HydrophobicContact CB-CG2 4.27Å; L247-V272 HydrophobicContact CD1-CB 4.47Å; L247-V272 HydrophobicContact CD1-CG2 3.57Å; L250-V272 HydrophobicContact CD1-CB 4.45Å; L250-V272 HydrophobicContact CD1-CG1 3.99Å; L250-V272 HydrophobicContact CD1-CG2 3.84Å; L267-V272 HydrophobicContact CB-CG2 3.85Å; L267-V272 HydrophobicContact CD1-CG2 4.47Å; K268-V272 PolarHBondContact O-N 2.85Å; R269-V272 PolarHBondContact O-N 3.47Å; V272-V275 WeakPolarHBondContact O-CB 3.35Å; V272-V275 PolarHBondContact O-N 3.04Å; V272-M276 HydrophobicContact CG1-SD 4.38Å; V272-M276 WeakPolarHBondContact O-CG 3.4Å; V272-M276 PolarHBondContact O-N 3.03Å |
| 273 | R | 94.9 | Very high | 92.4 | Very high | 78 Ų | 78 | 74.3 Ų | 74.3 | 29% | 0.294 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -56.3 | -50.6 | 170.4 | -160.5 | -165 | -174.6 | 75.7 | 23.6 | 111.7 | L243 R269 D270 Q271 V275 M276 E277 L286 D289 | L243-R273 HydrophobicContact CD1-CB 3.99Å; L243-R273 HydrophobicContact CD1-CG 4.17Å; R269-R273 PolarHBondContact O-N 3.18Å; D270-R273 WeakPolarHBondContact O-CB 3.27Å; Q271-R273 VanDerWaalsContact C-N 3.3Å; R273-V275 PolarHBondContact O-N 3.03Å; R273-M276 WeakPolarHBondContact O-CA 3.33Å; R273-M276 WeakPolarHBondContact O-CB 3.32Å; R273-M276 PolarHBondContact O-N 3.13Å; R273-E277 WeakPolarHBondContact CD-OE1 3.36Å; R273-E277 HydrophobicContact CG-CG 4.45Å; R273-E277 WeakPolarHBondContact CG-OE1 3.48Å; R273-E277 IonicContact NE-OE1 2.76Å; R273-E277 PolarHBondContact NE-OE1 2.95Å; R273-E277 WeakPolarHBondContact O-CG 3.41Å; R273-E277 PolarHBondContact O-N 2.72Å; R273-L286 PolarHBondContact NH2-O 3.16Å; R273-D289 IonicContact CZ-OD1 3Å; R273-D289 IonicContact NH1-OD1 2.72Å; R273-D289 PolarHBondContact NH1-OD1 2.82Å; R273-D289 IonicContact NH1-OD2 3.01Å; R273-D289 PolarHBondContact NH1-OD2 2.8Å; R273-D289 IonicContact NH2-OD1 3.17Å; R273-D289 PolarHBondContact NH2-OD1 2.98Å |
| 274 | Q | 94.3 | Very high | 92.7 | Very high | 125 Ų | 125 | 72.6 Ų | 72.6 | 58% | 0.584 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -60.5 | -32.5 | 177.8 | -69.9 | 166.2 | 10.8 | 0 | 0 | 112.8 | D270 Q271 K278 | D270-Q274 WeakPolarHBondContact O-CG 3.48Å; D270-Q274 PolarHBondContact O-N 2.79Å; D270-Q274 VanDerWaalsContact O-N 3.14Å; Q271-Q274 PolarHBondContact O-N 3.27Å; Q274-K278 PolarHBondContact O-N 2.85Å |
| 275 | V | 93.2 | Very high | 93 | Very high | 25 Ų | 25 | 69.6 Ų | 69.6 | 15% | 0.152 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67.7 | -42.9 | 172 | 175.3 | 0 | 0 | 0 | 0 | 111 | F246 Q271 V272 R273 K278 F279 F299 | F246-V275 HydrophobicContact CE1-CB 4.4Å; F246-V275 HydrophobicContact CE1-CG1 3.79Å; F246-V275 HydrophobicContact CZ-CG1 4.04Å; Q271-V275 WeakPolarHBondContact O-CG2 3.35Å; Q271-V275 PolarHBondContact O-N 3.06Å; Q271-V275 VanDerWaalsContact O-N 3.08Å; V272-V275 WeakPolarHBondContact O-CB 3.35Å; V272-V275 PolarHBondContact O-N 3.04Å; R273-V275 PolarHBondContact O-N 3.03Å; V275-K278 PolarHBondContact O-N 3.13Å; V275-F279 HydrophobicContact CG1-CD2 3.9Å; V275-F279 HydrophobicContact CG1-CE2 3.94Å; V275-F279 WeakPolarHBondContact O-CD2 3.41Å; V275-F279 PolarHBondContact O-N 3.02Å; V275-F299 HydrophobicContact CG1-CD2 3.76Å; V275-F299 HydrophobicContact CG1-CE2 4.09Å |
| 276 | M | 94.5 | Very high | 93.1 | Very high | 2 Ų | 2 | 66.9 Ų | 66.9 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 175.2 | -67.4 | 169.3 | 58.7 | 0 | 0 | 111.9 | L243 F246 V272 R273 K278 F279 E280 L286 L291 | L243-M276 HydrophobicContact CB-CE 4.14Å; L243-M276 HydrophobicContact CB-SD 3.73Å; L243-M276 HydrophobicContact CD1-SD 4.25Å; L243-M276 HydrophobicContact CG-SD 3.68Å; F246-M276 HydrophobicContact CD1-CG 3.62Å; F246-M276 HydrophobicContact CD1-SD 4.01Å; F246-M276 HydrophobicContact CE1-CG 3.88Å; V272-M276 HydrophobicContact CG1-SD 4.38Å; V272-M276 WeakPolarHBondContact O-CG 3.4Å; V272-M276 PolarHBondContact O-N 3.03Å; R273-M276 WeakPolarHBondContact O-CA 3.33Å; R273-M276 WeakPolarHBondContact O-CB 3.32Å; R273-M276 PolarHBondContact O-N 3.13Å; M276-K278 PolarHBondContact O-N 2.82Å; M276-F279 PolarHBondContact O-N 3.47Å; M276-F279 VanDerWaalsContact O-N 3.12Å; M276-E280 WeakPolarHBondContact O-CB 3.31Å; M276-E280 PolarHBondContact O-N 3.44Å; M276-L286 HydrophobicContact CB-CD1 4.08Å; M276-L291 HydrophobicContact CE-CB 4.15Å; M276-L291 HydrophobicContact CG-CD1 4.43Å |
| 277 | E | 94.4 | Very high | 93.2 | Very high | 92 Ų | 92 | 71 Ų | 71 | 43% | 0.43 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60 | -28.1 | 176 | -69.7 | 167 | 177.3 | 0 | 0 | 112.8 | R273 L286 | R273-E277 WeakPolarHBondContact CD-OE1 3.36Å; R273-E277 HydrophobicContact CG-CG 4.45Å; R273-E277 WeakPolarHBondContact CG-OE1 3.48Å; R273-E277 IonicContact NE-OE1 2.76Å; R273-E277 PolarHBondContact NE-OE1 2.95Å; R273-E277 WeakPolarHBondContact O-CG 3.41Å; R273-E277 PolarHBondContact O-N 2.72Å; E277-L286 HydrophobicContact CB-CD1 4.42Å; E277-L286 HydrophobicContact CB-CD2 4.42Å; E277-L286 HydrophobicContact CG-CD1 3.82Å; E277-L286 HydrophobicContact CG-CD2 4.11Å; E277-L286 HydrophobicContact CG-CG 4.28Å |
| 278 | K | 93 | Very high | 93.2 | Very high | 117 Ų | 117 | 75.5 Ų | 75.5 | 51% | 0.509 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -78 | -29.5 | 175.7 | -170.6 | -179.1 | -180 | -166.9 | 0 | 113.7 | Q274 V275 M276 E304 | Q274-K278 PolarHBondContact O-N 2.85Å; V275-K278 PolarHBondContact O-N 3.13Å; M276-K278 PolarHBondContact O-N 2.82Å; K278-E304 IonicContact NZ-OE1 3.89Å; K278-E304 PolarHBondContact NZ-OE1 2.83Å; K278-E304 IonicContact NZ-OE2 3.03Å; K278-E304 PolarHBondContact NZ-OE2 2.84Å |
| 279 | F | 92.5 | Very high | 93.3 | Very high | 19 Ų | 19 | 70.3 Ų | 70.3 | 8% | 0.083 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -114.9 | -26.1 | -168.1 | -64.7 | -58.4 | 0 | 0 | 0 | 115.3 | V275 M276 R298 F299 | V275-F279 HydrophobicContact CG1-CD2 3.9Å; V275-F279 HydrophobicContact CG1-CE2 3.94Å; V275-F279 WeakPolarHBondContact O-CD2 3.41Å; V275-F279 PolarHBondContact O-N 3.02Å; M276-F279 PolarHBondContact O-N 3.47Å; M276-F279 VanDerWaalsContact O-N 3.12Å; F279-R298 HydrophobicContact CB-CB 4.26Å; F279-R298 HydrophobicContact CD1-CB 3.98Å; F279-R298 HydrophobicContact CG-CB 4.45Å; F279-R298 WeakPolarHBondContact O-CD 3.19Å; F279-R298 PolarHBondContact O-NH1 3.32Å; F279-F299 HydrophobicContact CD2-CB 3.85Å; F279-F299 HydrophobicContact CD2-CD2 4.03Å; F279-F299 HydrophobicContact CD2-CG 4.46Å; F279-F299 HydrophobicContact CE2-CB 4.29Å; F279-F299 AromaticContact CE2-CD2 3.81Å; F279-F299 HydrophobicContact CE2-CD2 3.81Å; F279-F299 HydrophobicContact CG-CB 4.2Å |
| 280 | E | 93.4 | Very high | 93.2 | Very high | 14 Ų | 14 | 67.3 Ų | 67.3 | 7% | 0.065 | 33% | 0.328 | C | S | . | . | trans | -78.3 | 134.7 | 174.5 | -169 | 44.9 | -102.4 | 0 | 0 | 111.1 | M276 N282 L286 L291 S292 | M276-E280 WeakPolarHBondContact O-CB 3.31Å; M276-E280 PolarHBondContact O-N 3.44Å; E280-N282 HydrophobicContact CG-CB 4.46Å; E280-N282 WeakPolarHBondContact OE1-CB 2.88Å; E280-N282 PolarHBondContact OE1-N 3.11Å; E280-L286 HydrophobicContact CB-CD1 4.42Å; E280-L286 HydrophobicContact CG-CB 4.37Å; E280-L291 HydrophobicContact CB-CD1 3.97Å; E280-S292 PolarHBondContact OE1-OG 3.16Å; E280-S292 WeakPolarHBondContact OE2-CB 3.32Å; E280-S292 PolarHBondContact OE2-N 3.06Å; E280-S292 PolarHBondContact OE2-OG 3.28Å | ||
| 281 | S | 88.1 | Confident | 93.2 | Very high | 74 Ų | 74 | 62.1 Ų | 62.1 | 52% | 0.517 | 30% | 0.301 | S | S | . | . | trans | -105.8 | -15.9 | 173.8 | 49.8 | 0 | 0 | 0 | 0 | 113.1 | L283 R298 | S281-L283 PolarHBondContact O-N 3.4Å; S281-R298 VanDerWaalsContact CB-NH1 3.28Å; S281-R298 PolarHBondContact OG-NH1 2.97Å; S281-R298 PolarHBondContact OG-NH2 3.42Å | ||
| 282 | N | 90.6 | Very high | 93.3 | Very high | 74 Ų | 74 | 58.8 Ų | 58.8 | 40% | 0.396 | 29% | 0.287 | S | S | . | . | trans | -84.3 | 92.4 | 174.5 | -172.2 | -13.3 | 0 | 0 | 0 | 110.1 | E280 S284 Q285 L286 | E280-N282 HydrophobicContact CG-CB 4.46Å; E280-N282 WeakPolarHBondContact OE1-CB 2.88Å; E280-N282 PolarHBondContact OE1-N 3.11Å; N282-S284 PolarHBondContact O-N 3.3Å; N282-S284 VanDerWaalsContact O-N 3.09Å; N282-S284 PolarHBondContact OD1-N 3.45Å; N282-Q285 HydrophobicContact CB-CB 4.34Å; N282-Q285 HydrophobicContact CB-CG 4.41Å; N282-Q285 PolarHBondContact O-N 3.38Å; N282-L286 PolarHBondContact O-N 3.47Å; N282-L286 VanDerWaalsContact O-N 3.09Å | ||
| 283 | L | 91.1 | Very high | 93.2 | Very high | 121 Ų | 121 | 61.3 Ų | 61.3 | 63% | 0.634 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -50.3 | -36.3 | 179.3 | -62 | 176.9 | 0 | 0 | 0 | 112.8 | S281 Q285 L286 E287 | S281-L283 PolarHBondContact O-N 3.4Å; L283-Q285 VanDerWaalsContact C-N 3.31Å; L283-Q285 PolarHBondContact O-N 2.78Å; L283-L286 HydrophobicContact CD2-CD2 4.47Å; L283-L286 PolarHBondContact O-N 2.98Å; L283-E287 WeakPolarHBondContact O-CB 3.37Å; L283-E287 VanDerWaalsContact O-CG 3.26Å; L283-E287 WeakPolarHBondContact O-CG 3.22Å; L283-E287 PolarHBondContact O-N 3.44Å |
| 284 | S | 93.1 | Very high | 93 | Very high | 48 Ų | 48 | 60.7 Ų | 60.7 | 34% | 0.336 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -76 | -14.4 | -179.3 | -157.8 | 0 | 0 | 0 | 0 | 114.5 | N282 R288 | N282-S284 PolarHBondContact O-N 3.3Å; N282-S284 VanDerWaalsContact O-N 3.09Å; N282-S284 PolarHBondContact OD1-N 3.45Å; S284-R288 WeakPolarHBondContact O-CD 3.46Å; S284-R288 VanDerWaalsContact O-CG 3.3Å; S284-R288 WeakPolarHBondContact O-CG 3.29Å; S284-R288 PolarHBondContact O-NE 2.95Å |
| 285 | Q | 91.4 | Very high | 92.9 | Very high | 30 Ų | 30 | 54.8 Ų | 54.8 | 14% | 0.14 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -85.2 | -40 | 164 | -72.3 | -170.4 | 5.7 | 0 | 0 | 110.8 | N282 L283 E287 R288 D289 Q290 | N282-Q285 HydrophobicContact CB-CB 4.34Å; N282-Q285 HydrophobicContact CB-CG 4.41Å; N282-Q285 PolarHBondContact O-N 3.38Å; L283-Q285 VanDerWaalsContact C-N 3.31Å; L283-Q285 PolarHBondContact O-N 2.78Å; Q285-E287 PolarHBondContact O-N 3.3Å; Q285-R288 CarbonylContact O-C 3.5Å; Q285-R288 WeakPolarHBondContact O-CA 3.29Å; Q285-R288 PolarHBondContact O-N 3.08Å; Q285-D289 PolarHBondContact O-N 2.86Å; Q285-Q290 CarbonylContact C-O 3.59Å; Q285-Q290 HydrophobicContact CB-CB 3.94Å; Q285-Q290 HydrophobicContact CG-CB 4.44Å; Q285-Q290 WeakPolarHBondContact O-CB 3.38Å; Q285-Q290 PolarHBondContact O-N 3.37Å |
| 286 | L | 91.9 | Very high | 93 | Very high | 25 Ų | 25 | 53.6 Ų | 53.6 | 13% | 0.131 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.5 | -39 | 178.4 | -172.9 | 60.9 | 0 | 0 | 0 | 113.1 | R273 M276 E277 E280 N282 L283 R288 D289 | R273-L286 PolarHBondContact NH2-O 3.16Å; M276-L286 HydrophobicContact CB-CD1 4.08Å; E277-L286 HydrophobicContact CB-CD1 4.42Å; E277-L286 HydrophobicContact CB-CD2 4.42Å; E277-L286 HydrophobicContact CG-CD1 3.82Å; E277-L286 HydrophobicContact CG-CD2 4.11Å; E277-L286 HydrophobicContact CG-CG 4.28Å; E280-L286 HydrophobicContact CB-CD1 4.42Å; E280-L286 HydrophobicContact CG-CB 4.37Å; N282-L286 PolarHBondContact O-N 3.47Å; N282-L286 VanDerWaalsContact O-N 3.09Å; L283-L286 HydrophobicContact CD2-CD2 4.47Å; L283-L286 PolarHBondContact O-N 2.98Å; L286-R288 PolarHBondContact O-N 3.27Å; L286-D289 PolarHBondContact O-N 3.43Å |
| 287 | E | 93.4 | Very high | 93 | Very high | 144 Ų | 144 | 54.1 Ų | 54.1 | 67% | 0.673 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -20.1 | 170.2 | -77.4 | 169.9 | 172.7 | 0 | 0 | 113.8 | L283 Q285 | L283-E287 WeakPolarHBondContact O-CB 3.37Å; L283-E287 VanDerWaalsContact O-CG 3.26Å; L283-E287 WeakPolarHBondContact O-CG 3.22Å; L283-E287 PolarHBondContact O-N 3.44Å; Q285-E287 PolarHBondContact O-N 3.3Å |
| 288 | R | 94.3 | Very high | 92.9 | Very high | 159 Ų | 159 | 52.9 Ų | 52.9 | 60% | 0.6 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.6 | 12 | -175.5 | -61 | 177.8 | -173.2 | 174.9 | 3.4 | 112.9 | S284 Q285 L286 Q290 | S284-R288 WeakPolarHBondContact O-CD 3.46Å; S284-R288 VanDerWaalsContact O-CG 3.3Å; S284-R288 WeakPolarHBondContact O-CG 3.29Å; S284-R288 PolarHBondContact O-NE 2.95Å; Q285-R288 CarbonylContact O-C 3.5Å; Q285-R288 WeakPolarHBondContact O-CA 3.29Å; Q285-R288 PolarHBondContact O-N 3.08Å; L286-R288 PolarHBondContact O-N 3.27Å; R288-Q290 VanDerWaalsContact C-N 3.29Å; R288-Q290 HydrophobicContact CB-CG 4.2Å; R288-Q290 PolarHBondContact O-N 2.67Å |
| 289 | D | 95.5 | Very high | 93 | Very high | 36 Ų | 36 | 47.7 Ų | 47.7 | 19% | 0.193 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 43.1 | -175.8 | -68.5 | 23.1 | 0 | 0 | 0 | 111.9 | S242 L243 R273 Q285 L286 | S242-D289 CarbonylContact C-O 3.46Å; S242-D289 WeakPolarHBondContact CA-O 3.38Å; L243-D289 HydrophobicContact CB-CB 3.95Å; L243-D289 HydrophobicContact CD1-CB 4.29Å; L243-D289 WeakPolarHBondContact CD1-OD2 3.4Å; L243-D289 PolarHBondContact N-O 2.9Å; R273-D289 IonicContact CZ-OD1 3Å; R273-D289 IonicContact NH1-OD1 2.72Å; R273-D289 PolarHBondContact NH1-OD1 2.82Å; R273-D289 IonicContact NH1-OD2 3.01Å; R273-D289 PolarHBondContact NH1-OD2 2.8Å; R273-D289 IonicContact NH2-OD1 3.17Å; R273-D289 PolarHBondContact NH2-OD1 2.98Å; Q285-D289 PolarHBondContact O-N 2.86Å; L286-D289 PolarHBondContact O-N 3.43Å |
| 290 | Q | 94.7 | Very high | 93.1 | Very high | 36 Ų | 36 | 46.9 Ų | 46.9 | 17% | 0.168 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 138.2 | -178.9 | -68.6 | 169.5 | 12.7 | 0 | 0 | 111.7 | F240 I241 Q285 R288 | F240-Q290 HydrophobicContact CB-CB 3.97Å; F240-Q290 HydrophobicContact CB-CG 4.34Å; F240-Q290 HydrophobicContact CD1-CG 4.49Å; F240-Q290 HydrophobicContact CD2-CB 4.1Å; F240-Q290 HydrophobicContact CD2-CG 3.54Å; F240-Q290 HydrophobicContact CE2-CG 3.89Å; F240-Q290 HydrophobicContact CG-CB 4.07Å; F240-Q290 HydrophobicContact CG-CG 3.89Å; I241-Q290 WeakPolarHBondContact O-CA 3.21Å; Q285-Q290 CarbonylContact C-O 3.59Å; Q285-Q290 HydrophobicContact CB-CB 3.94Å; Q285-Q290 HydrophobicContact CG-CB 4.44Å; Q285-Q290 WeakPolarHBondContact O-CB 3.38Å; Q285-Q290 PolarHBondContact O-N 3.37Å; R288-Q290 VanDerWaalsContact C-N 3.29Å; R288-Q290 HydrophobicContact CB-CG 4.2Å; R288-Q290 PolarHBondContact O-N 2.67Å |
| 291 | L | 95.1 | Very high | 93 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 128.9 | 174.2 | -172.5 | 66.5 | 0 | 0 | 0 | 109.7 | F230 F240 I241 F246 M276 E280 F296 | F230-L291 WeakPolarHBondContact CZ-O 3.43Å; F240-L291 VanDerWaalsContact CA-O 3.27Å; F240-L291 WeakPolarHBondContact CA-O 3.4Å; I241-L291 HydrophobicContact CD1-CD2 4.32Å; I241-L291 HydrophobicContact CG1-CB 3.97Å; I241-L291 PolarHBondContact N-O 2.92Å; I241-L291 PolarHBondContact O-N 3.01Å; F246-L291 HydrophobicContact CD1-CD2 4.04Å; F246-L291 HydrophobicContact CD2-CD2 4.03Å; F246-L291 HydrophobicContact CE1-CD2 3.95Å; F246-L291 HydrophobicContact CE2-CD2 3.94Å; F246-L291 HydrophobicContact CG-CD2 4.09Å; F246-L291 HydrophobicContact CZ-CD2 3.91Å; M276-L291 HydrophobicContact CE-CB 4.15Å; M276-L291 HydrophobicContact CG-CD1 4.43Å; E280-L291 HydrophobicContact CB-CD1 3.97Å; L291-F296 HydrophobicContact CD2-CB 4.16Å; L291-F296 HydrophobicContact CD2-CD2 4.46Å |
| 292 | S | 94.7 | Very high | 93.2 | Very high | 15 Ų | 15 | 43.9 Ų | 43.9 | 11% | 0.105 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 166.1 | 175.1 | 69.3 | 0 | 0 | 0 | 0 | 112.4 | E280 Q294 G295 F296 | E280-S292 PolarHBondContact OE1-OG 3.16Å; E280-S292 WeakPolarHBondContact OE2-CB 3.32Å; E280-S292 PolarHBondContact OE2-N 3.06Å; E280-S292 PolarHBondContact OE2-OG 3.28Å; S292-Q294 PolarHBondContact O-N 3.31Å; S292-Q294 PolarHBondContact OG-N 3.44Å; S292-G295 PolarHBondContact O-N 3.25Å; S292-G295 PolarHBondContact OG-N 2.8Å; S292-F296 WeakPolarHBondContact O-CB 3.48Å; S292-F296 PolarHBondContact O-N 3.1Å |
| 293 | L | 92.8 | Very high | 93 | Very high | 53 Ų | 53 | 45.3 Ų | 45.3 | 28% | 0.277 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -54.2 | -34.4 | 167.6 | -177.8 | 70.7 | 0 | 0 | 0 | 112 | L226 F230 S297 | L226-L293 HydrophobicContact CB-CD1 4.46Å; F230-L293 HydrophobicContact CB-CD1 3.63Å; F230-L293 HydrophobicContact CD1-CB 4.26Å; F230-L293 HydrophobicContact CD1-CD1 3.99Å; F230-L293 HydrophobicContact CD2-CD1 4.18Å; F230-L293 HydrophobicContact CE1-CB 4.15Å; F230-L293 HydrophobicContact CG-CD1 3.7Å; F230-L293 HydrophobicContact CZ-CB 4.33Å; F230-L293 VanDerWaalsContact CZ-N 3.32Å; L293-S297 VanDerWaalsContact O-CB 3.26Å; L293-S297 WeakPolarHBondContact O-CB 3.24Å; L293-S297 PolarHBondContact O-N 2.85Å |
| 294 | Q | 91.1 | Very high | 92.8 | Very high | 65 Ų | 65 | 43.8 Ų | 43.8 | 30% | 0.304 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -73 | -41.4 | 180 | -163.1 | 69.1 | 0.1 | 0 | 0 | 111.7 | D218 S292 S297 R298 | D218-Q294 PolarHBondContact OD2-NE2 2.77Å; S292-Q294 PolarHBondContact O-N 3.31Å; S292-Q294 PolarHBondContact OG-N 3.44Å; Q294-S297 PolarHBondContact O-N 2.82Å; Q294-R298 VanDerWaalsContact O-CG 3.3Å; Q294-R298 WeakPolarHBondContact O-CG 3.35Å; Q294-R298 PolarHBondContact O-N 3.03Å |
| 295 | G | 93.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.5 | -43.6 | 172 | 0 | 0 | 0 | 0 | 0 | 111.9 | S292 R298 F299 | S292-G295 PolarHBondContact O-N 3.25Å; S292-G295 PolarHBondContact OG-N 2.8Å; G295-R298 PolarHBondContact O-N 2.92Å; G295-F299 PolarHBondContact O-N 3.28Å |
| 296 | F | 94.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.7 | -43.4 | 174.5 | -176.1 | -104.4 | 0 | 0 | 0 | 112.6 | I229 F230 I241 F246 F249 L291 S292 F299 L300 | I229-F296 HydrophobicContact CG2-CE1 3.89Å; I229-F296 HydrophobicContact CG2-CZ 3.86Å; F230-F296 HydrophobicContact CB-CD1 4.48Å; F230-F296 HydrophobicContact CD2-CB 3.89Å; F230-F296 AromaticContact CD2-CD1 3.79Å; F230-F296 HydrophobicContact CD2-CD1 3.79Å; F230-F296 HydrophobicContact CD2-CD2 4.34Å; F230-F296 HydrophobicContact CD2-CE1 4.39Å; F230-F296 AromaticContact CD2-CG 3.76Å; F230-F296 HydrophobicContact CD2-CG 3.76Å; F230-F296 HydrophobicContact CE2-CB 3.82Å; F230-F296 HydrophobicContact CE2-CG 4.15Å; I241-F296 HydrophobicContact CD1-CD2 4.16Å; F246-F296 HydrophobicContact CD2-CD2 4.46Å; F246-F296 HydrophobicContact CE2-CD2 4.2Å; F246-F296 HydrophobicContact CE2-CE2 4.44Å; F249-F296 HydrophobicContact CD1-CE2 4.04Å; F249-F296 HydrophobicContact CD2-CE2 4.49Å; F249-F296 AromaticContact CE1-CE2 3.6Å; F249-F296 HydrophobicContact CE1-CE2 3.6Å; F249-F296 HydrophobicContact CE1-CZ 4.16Å; F249-F296 HydrophobicContact CE2-CE2 4.08Å; F249-F296 AromaticContact CE2-CZ 3.96Å; F249-F296 HydrophobicContact CE2-CZ 3.96Å; F249-F296 HydrophobicContact CG-CE2 4.46Å; F249-F296 AromaticContact CZ-CE2 3.62Å; F249-F296 HydrophobicContact CZ-CE2 3.62Å; F249-F296 AromaticContact CZ-CZ 3.68Å; F249-F296 HydrophobicContact CZ-CZ 3.68Å; L291-F296 HydrophobicContact CD2-CB 4.16Å; L291-F296 HydrophobicContact CD2-CD2 4.46Å; S292-F296 WeakPolarHBondContact O-CB 3.48Å; S292-F296 PolarHBondContact O-N 3.1Å; F296-F299 WeakPolarHBondContact O-CB 3.47Å; F296-F299 PolarHBondContact O-N 3.1Å; F296-L300 HydrophobicContact CD1-CD1 4.01Å; F296-L300 HydrophobicContact CE1-CD1 3.55Å; F296-L300 HydrophobicContact CE1-CG 4.21Å; F296-L300 HydrophobicContact CZ-CD1 4.05Å; F296-L300 HydrophobicContact CZ-CG 4.36Å; F296-L300 PolarHBondContact O-N 3.06Å |
| 297 | S | 93.4 | Very high | 92.3 | Very high | 13 Ų | 13 | 40.5 Ų | 40.5 | 9% | 0.091 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59.8 | -46 | 173.4 | -179 | 0 | 0 | 0 | 0 | 111.5 | L293 Q294 F299 L300 N301 | L293-S297 VanDerWaalsContact O-CB 3.26Å; L293-S297 WeakPolarHBondContact O-CB 3.24Å; L293-S297 PolarHBondContact O-N 2.85Å; Q294-S297 PolarHBondContact O-N 2.82Å; S297-F299 PolarHBondContact O-N 3.19Å; S297-L300 PolarHBondContact O-N 2.94Å; S297-N301 PolarHBondContact O-N 2.9Å; S297-N301 VanDerWaalsContact O-N 3.08Å; S297-N301 PolarHBondContact O-ND2 2.85Å |
| 298 | R | 92.6 | Very high | 91.8 | Very high | 66 Ų | 66 | 33.8 Ų | 33.8 | 25% | 0.249 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.1 | -42.9 | 175.3 | -72.6 | 168.4 | -176.7 | 156.5 | 1.9 | 112.3 | F279 S281 Q294 G295 N301 S302 | F279-R298 HydrophobicContact CB-CB 4.26Å; F279-R298 HydrophobicContact CD1-CB 3.98Å; F279-R298 HydrophobicContact CG-CB 4.45Å; F279-R298 WeakPolarHBondContact O-CD 3.19Å; F279-R298 PolarHBondContact O-NH1 3.32Å; S281-R298 VanDerWaalsContact CB-NH1 3.28Å; S281-R298 PolarHBondContact OG-NH1 2.97Å; S281-R298 PolarHBondContact OG-NH2 3.42Å; Q294-R298 VanDerWaalsContact O-CG 3.3Å; Q294-R298 WeakPolarHBondContact O-CG 3.35Å; Q294-R298 PolarHBondContact O-N 3.03Å; G295-R298 PolarHBondContact O-N 2.92Å; R298-N301 PolarHBondContact O-N 3.3Å; R298-S302 PolarHBondContact O-N 3.37Å |
| 299 | F | 94.9 | Very high | 91.2 | Very high | 8 Ų | 8 | 27.2 Ų | 27.2 | 4% | 0.035 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.9 | -49.5 | 173.1 | 167.5 | -95.3 | 0 | 0 | 0 | 111.2 | F246 F249 L250 V275 F279 G295 F296 S297 N301 S302 E304 N305 | F246-F299 HydrophobicContact CE2-CD1 4.09Å; F246-F299 HydrophobicContact CE2-CE1 4.42Å; F246-F299 HydrophobicContact CE2-CG 4.31Å; F246-F299 HydrophobicContact CZ-CB 4.41Å; F246-F299 HydrophobicContact CZ-CD1 4.09Å; F246-F299 HydrophobicContact CZ-CD2 4.01Å; F246-F299 HydrophobicContact CZ-CE1 4.48Å; F246-F299 HydrophobicContact CZ-CE2 4.39Å; F246-F299 AromaticContact CZ-CG 3.85Å; F246-F299 HydrophobicContact CZ-CG 3.85Å; F249-F299 HydrophobicContact CE1-CD1 4.47Å; F249-F299 AromaticContact CE1-CE1 3.97Å; F249-F299 HydrophobicContact CE1-CE1 3.97Å; L250-F299 HydrophobicContact CD2-CE1 3.96Å; L250-F299 HydrophobicContact CD2-CE2 3.95Å; L250-F299 HydrophobicContact CD2-CZ 3.39Å; V275-F299 HydrophobicContact CG1-CD2 3.76Å; V275-F299 HydrophobicContact CG1-CE2 4.09Å; F279-F299 HydrophobicContact CD2-CB 3.85Å; F279-F299 HydrophobicContact CD2-CD2 4.03Å; F279-F299 HydrophobicContact CD2-CG 4.46Å; F279-F299 HydrophobicContact CE2-CB 4.29Å; F279-F299 AromaticContact CE2-CD2 3.81Å; F279-F299 HydrophobicContact CE2-CD2 3.81Å; F279-F299 HydrophobicContact CG-CB 4.2Å; G295-F299 PolarHBondContact O-N 3.28Å; F296-F299 WeakPolarHBondContact O-CB 3.47Å; F296-F299 PolarHBondContact O-N 3.1Å; S297-F299 PolarHBondContact O-N 3.19Å; F299-N301 PolarHBondContact O-N 3.35Å; F299-S302 WeakPolarHBondContact O-CB 3.46Å; F299-S302 PolarHBondContact O-N 3.44Å; F299-S302 PolarHBondContact O-OG 3.25Å; F299-E304 HydrophobicContact CE2-CB 4.35Å; F299-N305 HydrophobicContact CE1-CB 4.01Å; F299-N305 HydrophobicContact CE2-CB 4.29Å; F299-N305 HydrophobicContact CZ-CB 3.85Å; F299-N305 VanDerWaalsContact O-CB 3.24Å; F299-N305 WeakPolarHBondContact O-CB 3.49Å |
| 300 | L | 94.6 | Very high | 90.7 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.1 | -36.1 | -179.2 | -74.3 | 177.9 | 0 | 0 | 0 | 112.5 | L226 F249 F296 S297 S302 N305 Y792 | L226-L300 HydrophobicContact CD2-CD1 3.77Å; F249-L300 HydrophobicContact CZ-CD2 4.32Å; F296-L300 HydrophobicContact CD1-CD1 4.01Å; F296-L300 HydrophobicContact CE1-CD1 3.55Å; F296-L300 HydrophobicContact CE1-CG 4.21Å; F296-L300 HydrophobicContact CZ-CD1 4.05Å; F296-L300 HydrophobicContact CZ-CG 4.36Å; F296-L300 PolarHBondContact O-N 3.06Å; S297-L300 PolarHBondContact O-N 2.94Å; L300-S302 VanDerWaalsContact C-N 3.31Å; L300-S302 PolarHBondContact O-N 3.09Å; L300-N305 WeakPolarHBondContact CD2-ND2 3.48Å; L300-N305 PolarHBondContact O-ND2 2.75Å; L300-N305 VanDerWaalsContact O-ND2 3.08Å; L300-Y792 HydrophobicContact CB-CE2 4.1Å; L300-Y792 WeakPolarHBondContact O-CD2 3.38Å |
| 301 | N | 92.1 | Very high | 90.2 | Very high | 18 Ų | 18 | 28.6 Ų | 28.6 | 10% | 0.096 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78 | -6.6 | 177.4 | -75.4 | -79.8 | 0 | 0 | 0 | 114.6 | R150 N151 S297 R298 F299 Y792 | R150-N301 HydrophobicContact CB-CB 4.38Å; R150-N301 HydrophobicContact CG-CB 4.48Å; R150-N301 WeakPolarHBondContact CG-OD1 3.05Å; N151-N301 HydrophobicContact CB-CB 4.4Å; N151-N301 WeakPolarHBondContact CB-O 3.4Å; N151-N301 PolarHBondContact N-O 3.06Å; S297-N301 PolarHBondContact O-N 2.9Å; S297-N301 VanDerWaalsContact O-N 3.08Å; S297-N301 PolarHBondContact O-ND2 2.85Å; R298-N301 PolarHBondContact O-N 3.3Å; F299-N301 PolarHBondContact O-N 3.35Å; N301-Y792 HydrophobicContact CB-CE2 4.47Å; N301-Y792 WeakPolarHBondContact OD1-CE2 3.18Å |
| 302 | S | 91.6 | Very high | 89.7 | Confident | 7 Ų | 7 | 31.5 Ų | 31.5 | 5% | 0.049 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -77.4 | 177.2 | -169.1 | 73.4 | 0 | 0 | 0 | 0 | 115.4 | S149 R298 F299 L300 E304 N305 | S149-S302 WeakPolarHBondContact CB-O 3.49Å; R298-S302 PolarHBondContact O-N 3.37Å; F299-S302 WeakPolarHBondContact O-CB 3.46Å; F299-S302 PolarHBondContact O-N 3.44Å; F299-S302 PolarHBondContact O-OG 3.25Å; L300-S302 VanDerWaalsContact C-N 3.31Å; L300-S302 PolarHBondContact O-N 3.09Å; S302-E304 PolarHBondContact OG-N 2.8Å; S302-N305 PolarHBondContact OG-N 2.91Å |
| 303 | E | 88.1 | Confident | 89.5 | Confident | 104 Ų | 104 | 30.8 Ų | 30.8 | 49% | 0.486 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -77.7 | -34.1 | 172.7 | -69.7 | 172.1 | 175.3 | 0 | 0 | 111.2 | S149 N305 N306 | S149-E303 VanDerWaalsContact OG-CG 3.32Å; S149-E303 WeakPolarHBondContact OG-CG 3.49Å; E303-N305 PolarHBondContact O-N 3.5Å; E303-N306 WeakPolarHBondContact O-CB 3.4Å; E303-N306 PolarHBondContact O-N 2.75Å |
| 304 | E | 87 | Confident | 89.4 | Confident | 90 Ų | 90 | 28.6 Ų | 28.6 | 42% | 0.421 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -36.1 | 170.3 | -72.6 | 79.1 | 178.9 | 0 | 0 | 112.8 | K278 F299 S302 | K278-E304 IonicContact NZ-OE1 3.89Å; K278-E304 PolarHBondContact NZ-OE1 2.83Å; K278-E304 IonicContact NZ-OE2 3.03Å; K278-E304 PolarHBondContact NZ-OE2 2.84Å; F299-E304 HydrophobicContact CE2-CB 4.35Å; S302-E304 PolarHBondContact OG-N 2.8Å |
| 305 | N | 92.1 | Very high | 89.3 | Confident | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.011 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | 8.4 | -179.2 | -161.4 | 57.1 | 0 | 0 | 0 | 114.8 | Q254 F299 L300 S302 E303 Y790 R791 | Q254-N305 PolarHBondContact NE2-OD1 3.2Å; F299-N305 HydrophobicContact CE1-CB 4.01Å; F299-N305 HydrophobicContact CE2-CB 4.29Å; F299-N305 HydrophobicContact CZ-CB 3.85Å; F299-N305 VanDerWaalsContact O-CB 3.24Å; F299-N305 WeakPolarHBondContact O-CB 3.49Å; L300-N305 WeakPolarHBondContact CD2-ND2 3.48Å; L300-N305 PolarHBondContact O-ND2 2.75Å; L300-N305 VanDerWaalsContact O-ND2 3.08Å; S302-N305 PolarHBondContact OG-N 2.91Å; E303-N305 PolarHBondContact O-N 3.5Å; N305-Y790 PolarHBondContact ND2-O 3.29Å; N305-R791 VanDerWaalsContact C-NH1 3.29Å; N305-R791 VanDerWaalsContact O-CD 3.24Å; N305-R791 WeakPolarHBondContact O-CD 3.31Å; N305-R791 PolarHBondContact O-NH1 3.21Å; N305-R791 PolarHBondContact OD1-NH1 3.02Å; N305-R791 VanDerWaalsContact OD1-NH1 3.09Å |
| 306 | N | 87.9 | Confident | 89 | Confident | 21 Ų | 21 | 30.5 Ų | 30.5 | 11% | 0.112 | 15% | 0.147 | C | C | . | . | trans | -53.6 | 143.9 | -176.5 | -161.7 | -4.4 | 0 | 0 | 0 | 113 | N147 E303 L308 K787 R791 | N147-N306 PolarHBondContact O-ND2 2.82Å; E303-N306 WeakPolarHBondContact O-CB 3.4Å; E303-N306 PolarHBondContact O-N 2.75Å; N306-L308 PolarHBondContact O-N 3.27Å; N306-K787 WeakPolarHBondContact O-CD 3.43Å; N306-R791 PolarHBondContact O-NH1 2.93Å | ||
| 307 | S | 84.7 | Confident | 88.9 | Confident | 10 Ų | 10 | 32 Ų | 32 | 7% | 0.07 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -66.7 | -19.5 | -173.2 | 54.8 | 0 | 0 | 0 | 0 | 114.4 | Y792 | S307-Y792 WeakPolarHBondContact CB-O 3.44Å; S307-Y792 PolarHBondContact OG-O 3.19Å |
| 308 | L | 83 | Confident | 89 | Confident | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.016 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -112.7 | 148 | 179.3 | -74.7 | 171.2 | 0 | 0 | 0 | 112.3 | N306 L313 Y662 L781 K787 | N306-L308 PolarHBondContact O-N 3.27Å; L308-L313 HydrophobicContact CB-CD1 4.41Å; L308-L313 HydrophobicContact CD1-CD1 4.33Å; L308-L313 HydrophobicContact CD1-CD2 4.16Å; L308-L313 HydrophobicContact CD1-CG 4.48Å; L308-Y662 HydrophobicContact CD1-CE1 3.97Å; L308-Y662 WeakPolarHBondContact CD1-OH 3.32Å; L308-Y662 HydrophobicContact CD2-CE1 3.88Å; L308-L781 HydrophobicContact CD1-CD2 4.02Å; L308-L781 HydrophobicContact CD2-CD2 3.61Å; L308-L781 HydrophobicContact CG-CD2 3.82Å; L308-K787 WeakPolarHBondContact O-CE 3.47Å; L308-K787 PolarHBondContact O-NZ 2.89Å |
| 309 | P | 82.4 | Confident | 89.2 | Confident | 21 Ų | 21 | 32.1 Ų | 32.1 | 14% | 0.136 | 16% | 0.16 | C | C | . | . | trans | -67.2 | 132.9 | 158.4 | 28 | -30 | 0 | 0 | 0 | 109.6 | E311 K312 S785 | P309-E311 VanDerWaalsContact C-OE2 3.3Å; P309-E311 VanDerWaalsContact CA-OE2 3.3Å; P309-E311 WeakPolarHBondContact CA-OE2 3.49Å; P309-E311 WeakPolarHBondContact CB-OE2 3.43Å; P309-E311 PolarHBondContact O-N 3.2Å; P309-K312 HydrophobicContact CB-CG 4.41Å; P309-K312 HydrophobicContact CG-CB 3.98Å; P309-K312 HydrophobicContact CG-CG 3.66Å; P309-K312 PolarHBondContact O-N 3.1Å; P309-S785 WeakPolarHBondContact CD-O 3.2Å | ||
| 310 | L | 83.6 | Confident | 89.3 | Confident | 54 Ų | 54 | 35.7 Ų | 35.7 | 28% | 0.283 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -67.2 | -28.6 | 176.3 | -60.2 | -178.2 | 0 | 0 | 0 | 110.4 | L11 L144 K312 L313 D314 | L11-L310 HydrophobicContact CD1-CB 4.33Å; L11-L310 HydrophobicContact CD2-CB 3.78Å; L144-L310 HydrophobicContact CD2-CD1 4.32Å; L144-L310 HydrophobicContact CD2-CD2 3.88Å; L310-K312 PolarHBondContact O-N 3.2Å; L310-K312 VanDerWaalsContact O-N 3.13Å; L310-L313 HydrophobicContact CD2-CD1 4.38Å; L310-L313 PolarHBondContact O-N 2.85Å; L310-D314 PolarHBondContact O-N 2.79Å |
| 311 | E | 84.2 | Confident | 89.5 | Confident | 47 Ų | 47 | 38.6 Ų | 38.6 | 22% | 0.22 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -62.6 | -15.3 | 178.4 | -55.3 | 78 | -175.2 | 0 | 0 | 113 | L11 P309 F316 | L11-E311 HydrophobicContact CD2-CB 4.49Å; L11-E311 HydrophobicContact CD2-CG 4.1Å; L11-E311 HydrophobicContact CG-CG 4.32Å; P309-E311 VanDerWaalsContact C-OE2 3.3Å; P309-E311 VanDerWaalsContact CA-OE2 3.3Å; P309-E311 WeakPolarHBondContact CA-OE2 3.49Å; P309-E311 WeakPolarHBondContact CB-OE2 3.43Å; P309-E311 PolarHBondContact O-N 3.2Å; E311-F316 WeakPolarHBondContact O-CB 3.45Å |
| 312 | K | 85.4 | Confident | 89.7 | Confident | 62 Ų | 62 | 39.4 Ų | 39.4 | 27% | 0.27 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -103.1 | -13.1 | 174.5 | -65 | -64.3 | -169.4 | -176 | 0 | 113.9 | P309 L310 F316 Y662 N663 S785 | P309-K312 HydrophobicContact CB-CG 4.41Å; P309-K312 HydrophobicContact CG-CB 3.98Å; P309-K312 HydrophobicContact CG-CG 3.66Å; P309-K312 PolarHBondContact O-N 3.1Å; L310-K312 PolarHBondContact O-N 3.2Å; L310-K312 VanDerWaalsContact O-N 3.13Å; K312-F316 HydrophobicContact CB-CD1 4.33Å; K312-F316 HydrophobicContact CB-CE1 4.23Å; K312-F316 HydrophobicContact CD-CD1 3.84Å; K312-F316 HydrophobicContact CD-CD2 3.7Å; K312-F316 HydrophobicContact CD-CE1 3.75Å; K312-F316 HydrophobicContact CD-CE2 3.66Å; K312-F316 HydrophobicContact CD-CG 3.82Å; K312-F316 HydrophobicContact CD-CZ 3.68Å; K312-F316 WeakPolarHBondContact O-CD1 3.39Å; K312-F316 VanDerWaalsContact O-CE1 3.27Å; K312-F316 WeakPolarHBondContact O-CE1 3.4Å; K312-Y662 HydrophobicContact CB-CD1 4.35Å; K312-Y662 WeakPolarHBondContact O-CD1 3.49Å; K312-N663 PolarHBondContact O-N 2.88Å; K312-S785 WeakPolarHBondContact CG-OG 3.42Å |
| 313 | L | 89.6 | Confident | 90.1 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -29.5 | 172.2 | -67.9 | 169.2 | 0 | 0 | 0 | 111.2 | L13 I143 N147 L308 L310 E661 Y662 G664 | L13-L313 HydrophobicContact CD1-CB 4.26Å; I143-L313 HydrophobicContact CG2-CB 3.86Å; N147-L313 HydrophobicContact CB-CD1 3.53Å; N147-L313 VanDerWaalsContact CG-CD1 3.46Å; L308-L313 HydrophobicContact CB-CD1 4.41Å; L308-L313 HydrophobicContact CD1-CD1 4.33Å; L308-L313 HydrophobicContact CD1-CD2 4.16Å; L308-L313 HydrophobicContact CD1-CG 4.48Å; L310-L313 HydrophobicContact CD2-CD1 4.38Å; L310-L313 PolarHBondContact O-N 2.85Å; L313-E661 HydrophobicContact CD2-CG 4.28Å; L313-Y662 HydrophobicContact CD2-CD1 4.05Å; L313-Y662 HydrophobicContact CD2-CE1 3.96Å; L313-G664 WeakPolarHBondContact O-CA 3.37Å; L313-G664 PolarHBondContact O-N 2.92Å |
| 314 | D | 91.4 | Very high | 90.5 | Very high | 8 Ų | 8 | 34.2 Ų | 34.2 | 4% | 0.043 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -66.7 | 170.9 | 168.7 | -156.8 | 4.3 | 0 | 0 | 0 | 111.9 | H9 L11 Q12 L13 L310 F316 N663 G664 | H9-D314 IonicContact CD2-OD2 3.03Å; H9-D314 IonicContact CE1-OD2 2.71Å; H9-D314 IonicContact NE2-OD2 2.83Å; H9-D314 PolarHBondContact NE2-OD2 3.36Å; L11-D314 WeakPolarHBondContact CA-OD2 3.04Å; L11-D314 HydrophobicContact CD2-CB 4.34Å; Q12-D314 PolarHBondContact N-OD2 2.87Å; L13-D314 HydrophobicContact CD1-CB 4.01Å; L13-D314 HydrophobicContact CD2-CB 4.28Å; L13-D314 HydrophobicContact CG-CB 3.8Å; L310-D314 PolarHBondContact O-N 2.79Å; D314-F316 WeakPolarHBondContact O-CD1 3.28Å; D314-F316 PolarHBondContact O-N 3.23Å; D314-N663 CarbonylContact O-C 3.52Å; D314-N663 VanDerWaalsContact O-CA 3.26Å; D314-N663 WeakPolarHBondContact O-CA 3.31Å; D314-G664 VanDerWaalsContact C-N 3.34Å; D314-G664 PolarHBondContact O-N 2.97Å |
| 315 | L | 89.2 | Confident | 91.1 | Very high | 50 Ų | 50 | 31.3 Ų | 31.3 | 26% | 0.262 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -70.3 | 111.1 | 168.8 | -174.2 | 79.1 | 0 | 0 | 0 | 108.9 | H9 M319 Y406 | H9-L315 PolarHBondContact CE1-O 2.83Å; H9-L315 PolarHBondContact NE2-O 3.07Å; L315-M319 HydrophobicContact CD1-CG 4.12Å; L315-M319 HydrophobicContact CD1-SD 4.41Å; L315-Y406 HydrophobicContact CD1-CE2 3.87Å; L315-Y406 HydrophobicContact CD2-CE2 4.46Å; L315-Y406 WeakPolarHBondContact CD2-OH 3.39Å |
| 316 | F | 87.4 | Confident | 91.4 | Very high | 54 Ų | 54 | 31.2 Ų | 31.2 | 24% | 0.237 | 16% | 0.163 | C | C | . | . | trans | -131.8 | -20.8 | -169.2 | 80.3 | -97.9 | 0 | 0 | 0 | 115 | E311 K312 D314 N663 | E311-F316 WeakPolarHBondContact O-CB 3.45Å; K312-F316 HydrophobicContact CB-CD1 4.33Å; K312-F316 HydrophobicContact CB-CE1 4.23Å; K312-F316 HydrophobicContact CD-CD1 3.84Å; K312-F316 HydrophobicContact CD-CD2 3.7Å; K312-F316 HydrophobicContact CD-CE1 3.75Å; K312-F316 HydrophobicContact CD-CE2 3.66Å; K312-F316 HydrophobicContact CD-CG 3.82Å; K312-F316 HydrophobicContact CD-CZ 3.68Å; K312-F316 WeakPolarHBondContact O-CD1 3.39Å; K312-F316 VanDerWaalsContact O-CE1 3.27Å; K312-F316 WeakPolarHBondContact O-CE1 3.4Å; D314-F316 WeakPolarHBondContact O-CD1 3.28Å; D314-F316 PolarHBondContact O-N 3.23Å; F316-N663 HydrophobicContact CD1-CB 4.18Å; F316-N663 HydrophobicContact CE1-CB 3.93Å; F316-N663 PolarHBondContact N-OD1 3.04Å | ||
| 317 | D | 92.1 | Very high | 91.9 | Very high | 31 Ų | 31 | 30.8 Ų | 30.8 | 17% | 0.166 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -75 | 150.1 | 174.5 | -78.9 | -32.1 | 0 | 0 | 0 | 110 | M319 N663 L670 | D317-M319 HydrophobicContact CB-SD 4.42Å; D317-M319 PolarHBondContact O-N 2.81Å; D317-N663 PolarHBondContact N-OD1 3.34Å; D317-L670 HydrophobicContact CB-CB 3.8Å; D317-L670 VanDerWaalsContact CG-CB 3.49Å; D317-L670 PolarHBondContact OD2-N 2.68Å |
| 318 | D | 94.9 | Very high | 92.6 | Very high | 74 Ų | 74 | 30.4 Ų | 30.4 | 40% | 0.396 | 16% | 0.157 | S | C | . | . | trans | -67.1 | 119.8 | 167.6 | -171.9 | -19.8 | 0 | 0 | 0 | 108.9 | T320 Y326 L670 | D318-T320 WeakPolarHBondContact OD1-CA 3.35Å; D318-T320 VanDerWaalsContact OD1-CB 3.29Å; D318-T320 WeakPolarHBondContact OD1-CB 3.33Å; D318-T320 WeakPolarHBondContact OD1-CG2 2.97Å; D318-T320 PolarHBondContact OD1-N 2.96Å; D318-T320 PolarHBondContact OD1-OG1 2.94Å; D318-T320 PolarHBondContact OD2-OG1 2.72Å; D318-Y326 WeakPolarHBondContact O-CE1 3.29Å; D318-Y326 PolarHBondContact O-OH 2.76Å; D318-L670 HydrophobicContact CB-CD2 4.39Å | ||
| 319 | M | 97.1 | Very high | 93.3 | Very high | 8 Ų | 8 | 30.3 Ų | 30.3 | 4% | 0.039 | 16% | 0.157 | C | C | . | . | trans | -94.7 | 7.2 | -178.4 | -61 | -57.9 | -73 | 0 | 0 | 113.4 | L315 D317 Y326 Y406 S455 P456 Q457 Y668 | L315-M319 HydrophobicContact CD1-CG 4.12Å; L315-M319 HydrophobicContact CD1-SD 4.41Å; D317-M319 HydrophobicContact CB-SD 4.42Å; D317-M319 PolarHBondContact O-N 2.81Å; M319-Y326 VanDerWaalsContact CA-OH 3.26Å; M319-Y326 WeakPolarHBondContact CA-OH 3.29Å; M319-Y326 HydrophobicContact SD-CE1 3.95Å; M319-Y406 HydrophobicContact CB-CE1 3.99Å; M319-Y406 HydrophobicContact CE-CD1 3.62Å; M319-Y406 HydrophobicContact CE-CD2 4.02Å; M319-Y406 HydrophobicContact CE-CE1 3.5Å; M319-Y406 HydrophobicContact CE-CE2 3.9Å; M319-Y406 HydrophobicContact CE-CG 3.89Å; M319-Y406 HydrophobicContact CG-CE1 4.12Å; M319-S455 WeakPolarHBondContact O-CB 3.31Å; M319-P456 HydrophobicContact CE-CB 3.83Å; M319-P456 HydrophobicContact CE-CG 4.31Å; M319-P456 WeakPolarHBondContact O-CD 3.35Å; M319-Q457 HydrophobicContact CB-CB 4.39Å; M319-Q457 VanDerWaalsContact O-CB 3.25Å; M319-Q457 WeakPolarHBondContact O-CB 3.44Å; M319-Q457 PolarHBondContact O-N 3.41Å; M319-Q457 VanDerWaalsContact O-N 3.09Å; M319-Y668 HydrophobicContact CE-CG 4.25Å | ||
| 320 | T | 97.4 | Very high | 94.1 | Very high | 83 Ų | 83 | 29.3 Ų | 29.3 | 51% | 0.509 | 15% | 0.15 | S | C | . | . | trans | -100.2 | -1.8 | -175.8 | 72.9 | 0 | 0 | 0 | 0 | 115 | D318 Y326 S455 Q457 | D318-T320 WeakPolarHBondContact OD1-CA 3.35Å; D318-T320 VanDerWaalsContact OD1-CB 3.29Å; D318-T320 WeakPolarHBondContact OD1-CB 3.33Å; D318-T320 WeakPolarHBondContact OD1-CG2 2.97Å; D318-T320 PolarHBondContact OD1-N 2.96Å; D318-T320 PolarHBondContact OD1-OG1 2.94Å; D318-T320 PolarHBondContact OD2-OG1 2.72Å; T320-Y326 PolarHBondContact N-OH 3.27Å; T320-S455 VanDerWaalsContact O-CB 3.29Å; T320-S455 WeakPolarHBondContact O-CB 3.25Å; T320-Q457 HydrophobicContact CG2-CB 4.32Å; T320-Q457 HydrophobicContact CG2-CG 4.4Å | ||
| 321 | H | 97.5 | Very high | 94.8 | Very high | 64 Ų | 64 | 26.7 Ų | 26.7 | 30% | 0.296 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -73.3 | 160.5 | 172.5 | -67.5 | -59.3 | 0 | 0 | 0 | 112 | H325 Y326 S455 P456 L670 | H321-H325 HydrophobicContact CB-CB 3.98Å; H321-H325 AromaticContact CG-ND1 3.92Å; H321-Y326 HydrophobicContact CB-CE2 4.04Å; H321-Y326 WeakPolarHBondContact CB-OH 3.38Å; H321-Y326 PolarHBondContact N-OH 2.87Å; H321-Y326 VanDerWaalsContact N-OH 3.11Å; H321-Y326 WeakPolarHBondContact O-CE2 3.36Å; H321-S455 WeakPolarHBondContact O-CA 3.44Å; H321-S455 WeakPolarHBondContact O-CB 3.41Å; H321-P456 WeakPolarHBondContact O-CD 3.44Å; H321-L670 HydrophobicContact CB-CD1 4.41Å |
| 322 | P | 98 | Very high | 95.5 | Very high | 35 Ų | 35 | 25.3 Ų | 25.3 | 23% | 0.227 | 13% | 0.13 | C | C | . | . | trans | -55.9 | 146.1 | 174.9 | -27 | 36.4 | 0 | 0 | 0 | 113.3 | A324 H325 P452 L453 | P322-A324 PolarHBondContact O-N 2.9Å; P322-H325 VanDerWaalsContact O-CB 3.29Å; P322-H325 WeakPolarHBondContact O-CB 3.23Å; P322-H325 PolarHBondContact O-N 2.98Å; P322-P452 HydrophobicContact CB-CB 4.44Å; P322-P452 HydrophobicContact CG-CB 4.08Å; P322-L453 WeakPolarHBondContact CA-O 3.09Å; P322-L453 HydrophobicContact CB-CB 4.45Å; P322-L453 WeakPolarHBondContact CB-O 3.23Å | ||
| 323 | L | 98.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | G | 310 helix | trans | -52.5 | -29 | -177.7 | -168 | 62.5 | 0 | 0 | 0 | 114.5 | H325 Y326 I328 I409 L453 P454 P456 I567 L614 Y668 | L323-H325 PolarHBondContact O-N 2.59Å; L323-Y326 PolarHBondContact O-N 2.64Å; L323-I328 HydrophobicContact CD1-CD1 4.19Å; L323-I328 HydrophobicContact CG-CD1 4.33Å; L323-I409 HydrophobicContact CD2-CD1 4.49Å; L323-L453 HydrophobicContact CB-CB 4.08Å; L323-L453 HydrophobicContact CB-CD1 4.23Å; L323-P454 WeakPolarHBondContact CB-O 3.46Å; L323-P454 PolarHBondContact N-O 2.82Å; L323-P456 HydrophobicContact CD1-CG 4.07Å; L323-I567 HydrophobicContact CD2-CD1 3.87Å; L323-L614 HydrophobicContact CD2-CD1 4.19Å; L323-Y668 HydrophobicContact CD1-CE1 3.6Å |
| 324 | A | 97.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.008 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | -65 | -16 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | P322 L453 L614 Q640 K671 | P322-A324 PolarHBondContact O-N 2.9Å; A324-L453 HydrophobicContact CB-CD1 4.06Å; A324-L614 HydrophobicContact CB-CD2 4.4Å; A324-Q640 PolarHBondContact O-NE2 2.94Å; A324-K671 WeakPolarHBondContact O-CE 3.41Å; A324-K671 PolarHBondContact O-NZ 3.08Å |
| 325 | H | 98.4 | Very high | 96.8 | Very high | 28 Ų | 28 | 22.3 Ų | 22.3 | 13% | 0.13 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -83.5 | -3.5 | -178 | -71.5 | -158.8 | 0 | 0 | 0 | 114.1 | H321 P322 L323 K611 L670 K671 T676 | H321-H325 HydrophobicContact CB-CB 3.98Å; H321-H325 AromaticContact CG-ND1 3.92Å; P322-H325 VanDerWaalsContact O-CB 3.29Å; P322-H325 WeakPolarHBondContact O-CB 3.23Å; P322-H325 PolarHBondContact O-N 2.98Å; L323-H325 PolarHBondContact O-N 2.59Å; H325-K611 PolarHBondContact CD2-O 3.36Å; H325-L670 HydrophobicContact CB-CD1 4.12Å; H325-K671 VanDerWaalsContact C-CE 3.43Å; H325-K671 WeakPolarHBondContact O-CB 3.19Å; H325-K671 WeakPolarHBondContact O-CE 3.32Å; H325-K671 VanDerWaalsContact O-CG 3.24Å; H325-K671 WeakPolarHBondContact O-CG 3.23Å; H325-K671 PolarHBondContact O-N 3.36Å; H325-T676 HydrophobicContact CB-CG2 3.78Å |
| 326 | Y | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 151.4 | -176.3 | -57.3 | -94.4 | 0 | 0 | 0 | 112.7 | D318 M319 T320 H321 L323 P456 Q640 Y668 L669 L670 | D318-Y326 WeakPolarHBondContact O-CE1 3.29Å; D318-Y326 PolarHBondContact O-OH 2.76Å; M319-Y326 VanDerWaalsContact CA-OH 3.26Å; M319-Y326 WeakPolarHBondContact CA-OH 3.29Å; M319-Y326 HydrophobicContact SD-CE1 3.95Å; T320-Y326 PolarHBondContact N-OH 3.27Å; H321-Y326 HydrophobicContact CB-CE2 4.04Å; H321-Y326 WeakPolarHBondContact CB-OH 3.38Å; H321-Y326 PolarHBondContact N-OH 2.87Å; H321-Y326 VanDerWaalsContact N-OH 3.11Å; H321-Y326 WeakPolarHBondContact O-CE2 3.36Å; L323-Y326 PolarHBondContact O-N 2.64Å; Y326-P456 HydrophobicContact CD2-CG 3.72Å; Y326-P456 HydrophobicContact CE1-CG 4.36Å; Y326-P456 VanDerWaalsContact CE2-CD 3.42Å; Y326-P456 HydrophobicContact CE2-CG 3.52Å; Y326-P456 HydrophobicContact CG-CG 4.25Å; Y326-Q640 VanDerWaalsContact O-CB 3.25Å; Y326-Q640 WeakPolarHBondContact O-CB 3.02Å; Y326-Q640 WeakPolarHBondContact O-CG 3.49Å; Y326-Y668 HydrophobicContact CG-CD1 4.21Å; Y326-L669 CarbonylContact C-O 3.59Å; Y326-L669 VanDerWaalsContact CA-O 3.24Å; Y326-L669 WeakPolarHBondContact CA-O 3.32Å; Y326-L670 HydrophobicContact CD1-CB 4.18Å; Y326-L670 HydrophobicContact CD1-CD1 4.21Å; Y326-L670 HydrophobicContact CE1-CB 4.04Å; Y326-L670 HydrophobicContact CE1-CD1 3.81Å; Y326-L670 HydrophobicContact CE1-CG 4.48Å |
| 327 | F | 98.8 | Very high | 97.3 | Very high | 13 Ų | 13 | 18.6 Ų | 18.6 | 6% | 0.057 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 138 | 154.8 | -58.1 | -55.5 | 0 | 0 | 0 | 108.9 | W635 C639 F660 Y668 L669 K671 L761 | F327-W635 HydrophobicContact CD1-CB 4.2Å; F327-W635 AromaticContact CD1-CD1 3.42Å; F327-W635 VanDerWaalsContact CD1-CD1 3.42Å; F327-W635 AromaticContact CD1-CG 3.98Å; F327-W635 HydrophobicContact CD1-CG 3.98Å; F327-W635 HydrophobicContact CE1-CB 3.66Å; F327-W635 AromaticContact CE1-CD1 3.76Å; F327-W635 AromaticContact CE1-CG 3.96Å; F327-W635 HydrophobicContact CE1-CG 3.96Å; F327-W635 WeakPolarHBondContact CE1-O 3.41Å; F327-W635 HydrophobicContact CE2-CB 4.41Å; F327-W635 AromaticContact CG-CD1 3.94Å; F327-W635 HydrophobicContact CG-CG 4.38Å; F327-W635 HydrophobicContact CZ-CB 3.77Å; F327-W635 HydrophobicContact CZ-CG 4.33Å; F327-W635 VanDerWaalsContact CZ-O 3.31Å; F327-W635 WeakPolarHBondContact CZ-O 3.41Å; F327-C639 WeakPolarHBondContact CD1-O 3.49Å; F327-F660 HydrophobicContact CB-CZ 4.18Å; F327-Y668 WeakPolarHBondContact O-CA 3.45Å; F327-L669 HydrophobicContact CB-CB 4.46Å; F327-L669 PolarHBondContact N-O 2.85Å; F327-L669 PolarHBondContact O-N 2.99Å; F327-L669 VanDerWaalsContact O-N 3.07Å; F327-K671 HydrophobicContact CD1-CD 3.95Å; F327-K671 HydrophobicContact CD1-CG 3.9Å; F327-K671 HydrophobicContact CD2-CG 3.97Å; F327-K671 HydrophobicContact CE1-CD 3.56Å; F327-K671 HydrophobicContact CE1-CG 3.68Å; F327-K671 HydrophobicContact CE2-CB 4.49Å; F327-K671 HydrophobicContact CE2-CG 3.76Å; F327-K671 HydrophobicContact CG-CG 4.04Å; F327-K671 HydrophobicContact CZ-CB 4.49Å; F327-K671 HydrophobicContact CZ-CD 3.9Å; F327-K671 HydrophobicContact CZ-CG 3.62Å; F327-L761 HydrophobicContact CE2-CD1 3.6Å; F327-L761 HydrophobicContact CZ-CD1 3.7Å |
| 328 | I | 98.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 121.3 | -171 | -52.9 | -179.8 | 0 | 0 | 0 | 108.8 | L323 S330 R359 I409 Q640 M641 Y668 | L323-I328 HydrophobicContact CD1-CD1 4.19Å; L323-I328 HydrophobicContact CG-CD1 4.33Å; I328-S330 PolarHBondContact O-N 2.73Å; I328-S330 PolarHBondContact O-OG 2.81Å; I328-R359 HydrophobicContact CG2-CB 3.82Å; I328-I409 HydrophobicContact CD1-CD1 4.33Å; I328-Q640 HydrophobicContact CD1-CB 4.08Å; I328-Q640 HydrophobicContact CG1-CB 4.14Å; I328-Q640 PolarHBondContact N-O 2.83Å; I328-M641 HydrophobicContact CB-CG 4.17Å; I328-M641 HydrophobicContact CD1-CG 4.17Å; I328-M641 HydrophobicContact CG2-CG 4.41Å; I328-Y668 HydrophobicContact CB-CE1 4.3Å; I328-Y668 HydrophobicContact CD1-CE1 3.78Å; I328-Y668 HydrophobicContact CG1-CD1 3.92Å; I328-Y668 HydrophobicContact CG1-CE1 3.59Å; I328-Y668 HydrophobicContact CG2-CE1 3.95Å |
| 329 | N | 98.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | trans | -61.9 | 118.9 | 179.5 | -168.4 | 9.3 | 0 | 0 | 0 | 110.1 | T356 G357 C358 R359 C360 F646 N656 F660 G667 | N329-T356 PolarHBondContact ND2-O 2.96Å; N329-G357 PolarHBondContact ND2-O 3.11Å; N329-G357 VanDerWaalsContact ND2-O 3.12Å; N329-C358 WeakPolarHBondContact ND2-CA 3.31Å; N329-C358 PolarHBondContact ND2-N 3.21Å; N329-C358 PolarHBondContact O-SG 3.33Å; N329-C358 VanDerWaalsContact O-SG 3.4Å; N329-R359 PolarHBondContact O-N 3.08Å; N329-C360 PolarHBondContact O-N 3.48Å; N329-F646 WeakPolarHBondContact OD1-CZ 3.3Å; N329-N656 PolarHBondContact OD1-ND2 3.37Å; N329-F660 HydrophobicContact CB-CB 4.33Å; N329-F660 HydrophobicContact CB-CD1 3.81Å; N329-F660 HydrophobicContact CB-CD2 3.68Å; N329-F660 HydrophobicContact CB-CE1 3.95Å; N329-F660 HydrophobicContact CB-CE2 3.83Å; N329-F660 HydrophobicContact CB-CG 3.68Å; N329-F660 HydrophobicContact CB-CZ 3.96Å; N329-G667 PolarHBondContact N-O 3.3Å | ||
| 330 | S | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | B | Isolated β-bridge | trans | -136.4 | 131 | -160.7 | -64.8 | 0 | 0 | 0 | 0 | 113.5 | I328 C360 M641 A643 L644 F646 | I328-S330 PolarHBondContact O-N 2.73Å; I328-S330 PolarHBondContact O-OG 2.81Å; S330-C360 WeakPolarHBondContact OG-CB 3.35Å; S330-M641 VanDerWaalsContact OG-CA 3.26Å; S330-M641 WeakPolarHBondContact OG-CA 3.47Å; S330-A643 WeakPolarHBondContact O-CA 3.26Å; S330-L644 PolarHBondContact O-N 2.64Å; S330-F646 VanDerWaalsContact O-CE2 3.28Å; S330-F646 WeakPolarHBondContact O-CE2 3.35Å |
| 331 | S | 98.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | B | Isolated β-bridge | trans | -104.9 | 150.5 | 176.8 | -179.6 | 0 | 0 | 0 | 0 | 111.9 | T334 C360 R616 L644 | S331-T334 VanDerWaalsContact CB-OG1 3.27Å; S331-T334 WeakPolarHBondContact CB-OG1 3.3Å; S331-T334 PolarHBondContact OG-OG1 3.2Å; S331-C360 PolarHBondContact N-O 2.71Å; S331-R616 PolarHBondContact O-NH2 3.1Å; S331-L644 CarbonylContact C-O 3.54Å; S331-L644 WeakPolarHBondContact CA-O 3.21Å |
| 332 | H | 98.4 | Very high | 94.7 | Very high | 17 Ų | 17 | 20.8 Ų | 20.8 | 8% | 0.079 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -119 | 141.9 | 171.9 | 166.3 | -100.6 | 0 | 0 | 0 | 109.3 | T334 E362 P619 A643 L644 N645 | H332-T334 PolarHBondContact O-N 3.02Å; H332-E362 IonicContact CD2-OE2 3.3Å; H332-E362 PolarHBondContact CD2-OE2 2.78Å; H332-E362 VanDerWaalsContact CD2-OE2 3.25Å; H332-E362 IonicContact CG-OE2 2.99Å; H332-P619 HydrophobicContact CB-CG 4.32Å; H332-A643 HydrophobicContact CB-CB 4.02Å; H332-L644 PolarHBondContact N-O 3.45Å; H332-N645 PolarHBondContact ND1-OD1 2.99Å |
| 333 | N | 97.6 | Very high | 94 | Very high | 5 Ų | 5 | 19.3 Ų | 19.3 | 3% | 0.027 | 11% | 0.113 | C | C | . | . | S | Bend | trans | 41.5 | 50 | -176.4 | -66.1 | 2.2 | 0 | 0 | 0 | 113 | Y335 L336 Q340 E362 | N333-Y335 HydrophobicContact CB-CE1 4.02Å; N333-Y335 PolarHBondContact O-N 3.11Å; N333-L336 HydrophobicContact CB-CD1 3.85Å; N333-L336 HydrophobicContact CB-CG 4.25Å; N333-L336 PolarHBondContact O-N 3.26Å; N333-Q340 PolarHBondContact ND2-OE1 3.24Å; N333-E362 PolarHBondContact N-OE2 2.77Å |
| 334 | T | 98.2 | Very high | 93.8 | Very high | 3 Ų | 3 | 21.4 Ų | 21.4 | 2% | 0.018 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -20.9 | -166.3 | -53.8 | 0 | 0 | 0 | 0 | 114.7 | S331 H332 M349 Y350 V353 I361 E362 | S331-T334 VanDerWaalsContact CB-OG1 3.27Å; S331-T334 WeakPolarHBondContact CB-OG1 3.3Å; S331-T334 PolarHBondContact OG-OG1 3.2Å; H332-T334 PolarHBondContact O-N 3.02Å; T334-M349 WeakPolarHBondContact O-CB 3.31Å; T334-M349 WeakPolarHBondContact O-CG 3.46Å; T334-Y350 HydrophobicContact CG2-CD1 3.57Å; T334-Y350 HydrophobicContact CG2-CE1 3.74Å; T334-Y350 HydrophobicContact CG2-CG 4.26Å; T334-V353 HydrophobicContact CG2-CB 4.06Å; T334-V353 HydrophobicContact CG2-CG1 3.94Å; T334-V353 HydrophobicContact CG2-CG2 4.09Å; T334-I361 HydrophobicContact CG2-CB 4.03Å; T334-I361 HydrophobicContact CG2-CG2 3.86Å; T334-E362 PolarHBondContact OG1-N 2.93Å |
| 335 | Y | 97.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -23 | 175.8 | 51.2 | -84.8 | 0 | 0 | 0 | 113.8 | N333 S345 S346 D364 I377 H379 | N333-Y335 HydrophobicContact CB-CE1 4.02Å; N333-Y335 PolarHBondContact O-N 3.11Å; Y335-S345 WeakPolarHBondContact CD2-OG 3.47Å; Y335-S345 CarbonylContact O-C 3.56Å; Y335-S345 VanDerWaalsContact O-CA 3.26Å; Y335-S345 WeakPolarHBondContact O-CA 3.24Å; Y335-S346 PolarHBondContact O-N 3.07Å; Y335-D364 HydrophobicContact CE1-CB 3.84Å; Y335-D364 WeakPolarHBondContact CE1-OD1 3.26Å; Y335-D364 PolarHBondContact OH-OD2 2.91Å; Y335-I377 HydrophobicContact CD1-CG2 3.51Å; Y335-I377 HydrophobicContact CD2-CG2 4.13Å; Y335-I377 HydrophobicContact CE1-CG2 4.09Å; Y335-I377 HydrophobicContact CG-CG2 3.56Å; Y335-H379 HydrophobicContact CE2-CB 4.01Å; Y335-H379 WeakPolarHBondContact OH-CA 3.34Å; Y335-H379 WeakPolarHBondContact OH-CB 3.39Å |
| 336 | L | 96.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | B | Isolated β-bridge | trans | -80.3 | 134.8 | -171.1 | -67.1 | 179.7 | 0 | 0 | 0 | 114.3 | N333 Q340 T384 | N333-L336 HydrophobicContact CB-CD1 3.85Å; N333-L336 HydrophobicContact CB-CG 4.25Å; N333-L336 PolarHBondContact O-N 3.26Å; L336-Q340 VanDerWaalsContact CD1-OE1 3.32Å; L336-T384 HydrophobicContact CD2-CG2 3.69Å |
| 337 | T | 92.8 | Very high | 93.6 | Very high | 26 Ų | 26 | 23.4 Ų | 23.4 | 16% | 0.16 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -96.7 | -16.8 | 176.7 | 63.2 | 0 | 0 | 0 | 0 | 114.8 | V114 A344 M349 | V114-T337 WeakPolarHBondContact CG1-O 3.48Å; T337-A344 PolarHBondContact N-O 2.58Å; T337-A344 PolarHBondContact OG1-O 3.14Å; T337-M349 HydrophobicContact CG2-CE 4.07Å |
| 338 | V | 88.1 | Confident | 93.5 | Very high | 90 Ų | 90 | 24 Ų | 24 | 55% | 0.545 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -142.3 | -136.2 | -177.9 | -154.8 | 0 | 0 | 0 | 0 | 110.8 | S626 Q647 | V338-S626 PolarHBondContact O-OG 2.84Å; V338-Q647 WeakPolarHBondContact O-CG 3.21Å; V338-Q647 PolarHBondContact O-NE2 3.05Å; V338-Q647 VanDerWaalsContact O-NE2 3.13Å |
| 339 | G | 83.5 | Confident | 93.4 | Very high | 14 Ų | 14 | 24.2 Ų | 24.2 | 14% | 0.144 | 15% | 0.15 | C | C | . | . | trans | -75.4 | 155.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | L341 G343 S626 | G339-L341 VanDerWaalsContact C-N 3.31Å; G339-L341 PolarHBondContact O-N 2.89Å; G339-G343 WeakPolarHBondContact O-CA 3.38Å; G339-G343 PolarHBondContact O-N 3.05Å; G339-S626 WeakPolarHBondContact CA-OG 3.06Å | ||
| 340 | Q | 85.3 | Confident | 93.4 | Very high | 11 Ų | 11 | 24.2 Ų | 24.2 | 5% | 0.051 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -22 | -168.8 | -56.1 | -69.8 | -45.8 | 0 | 0 | 114.8 | N333 L336 H379 R623 V624 S626 N645 | N333-Q340 PolarHBondContact ND2-OE1 3.24Å; L336-Q340 VanDerWaalsContact CD1-OE1 3.32Å; Q340-H379 PolarHBondContact O-ND1 3.27Å; Q340-R623 VanDerWaalsContact CG-O 3.32Å; Q340-R623 WeakPolarHBondContact CG-O 3.5Å; Q340-V624 PolarHBondContact N-O 3.11Å; Q340-S626 PolarHBondContact NE2-OG 3.13Å; Q340-N645 PolarHBondContact NE2-OD1 3.49Å |
| 341 | L | 82.9 | Confident | 93.4 | Very high | 87 Ų | 87 | 25.8 Ų | 25.8 | 46% | 0.455 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -26.2 | -172.9 | -62.6 | -179.5 | 0 | 0 | 0 | 114.7 | G339 T382 M383 V624 | G339-L341 VanDerWaalsContact C-N 3.31Å; G339-L341 PolarHBondContact O-N 2.89Å; L341-T382 HydrophobicContact CD2-CG2 4.02Å; L341-M383 WeakPolarHBondContact O-CA 3.48Å; L341-M383 PolarHBondContact O-N 2.96Å; L341-V624 HydrophobicContact CD1-CB 3.92Å; L341-V624 HydrophobicContact CD1-CG1 3.81Å; L341-V624 HydrophobicContact CD2-CG1 4.37Å; L341-V624 HydrophobicContact CG-CB 4.04Å; L341-V624 HydrophobicContact CG-CG1 4Å |
| 342 | T | 84.4 | Confident | 93.3 | Very high | 104 Ų | 104 | 25.9 Ų | 25.9 | 64% | 0.638 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -146.8 | 13.4 | -171.1 | 71 | 0 | 0 | 0 | 0 | 112.9 | M383 | T342-M383 HydrophobicContact CG2-CB 4.32Š|
| 343 | G | 83.6 | Confident | 93.3 | Very high | 4 Ų | 4 | 25 Ų | 25 | 4% | 0.041 | 15% | 0.152 | C | C | . | . | P | Polyproline II helix | trans | -71.5 | 156.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | G339 T384 | G339-G343 WeakPolarHBondContact O-CA 3.38Å; G339-G343 PolarHBondContact O-N 3.05Å; G343-T384 VanDerWaalsContact O-CA 3.28Å; G343-T384 WeakPolarHBondContact O-CA 3.42Å; G343-T384 WeakPolarHBondContact O-CB 3.24Å; G343-T384 WeakPolarHBondContact O-CG2 3.19Å |
| 344 | A | 93.1 | Very high | 93.4 | Very high | 44 Ų | 44 | 24.8 Ų | 24.8 | 36% | 0.364 | 15% | 0.151 | S | C | . | . | P | Polyproline II helix | trans | -77.1 | 140.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | T337 | T337-A344 PolarHBondContact N-O 2.58Å; T337-A344 PolarHBondContact OG1-O 3.14Å |
| 345 | S | 96.4 | Very high | 93.3 | Very high | 8 Ų | 8 | 25.6 Ų | 25.6 | 6% | 0.056 | 16% | 0.155 | C | C | . | . | B | Isolated β-bridge | trans | -85.5 | 140 | 163.6 | -52.8 | 0 | 0 | 0 | 0 | 109 | Y335 T385 I387 | Y335-S345 WeakPolarHBondContact CD2-OG 3.47Å; Y335-S345 CarbonylContact O-C 3.56Å; Y335-S345 VanDerWaalsContact O-CA 3.26Å; Y335-S345 WeakPolarHBondContact O-CA 3.24Å; S345-T385 WeakPolarHBondContact CB-O 3.03Å; S345-T385 PolarHBondContact N-OG1 3.27Å; S345-T385 PolarHBondContact O-OG1 2.8Å; S345-T385 PolarHBondContact OG-O 3.3Å; S345-I387 WeakPolarHBondContact O-CG2 3.16Å |
| 346 | S | 96.8 | Very high | 93.2 | Very high | 36 Ų | 36 | 26 Ų | 26 | 25% | 0.252 | 16% | 0.157 | S | C | . | . | trans | -141 | 130.3 | -177.1 | -177.1 | 0 | 0 | 0 | 0 | 113 | Y335 E348 M349 | Y335-S346 PolarHBondContact O-N 3.07Å; S346-E348 PolarHBondContact O-N 3.13Å; S346-E348 WeakPolarHBondContact OG-CB 3.45Å; S346-E348 PolarHBondContact OG-N 3.13Å; S346-M349 PolarHBondContact O-N 2.9Å | ||
| 347 | V | 97.4 | Very high | 93.2 | Very high | 27 Ų | 27 | 26 Ų | 26 | 16% | 0.164 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.6 | -30.9 | 170.3 | -178.8 | 0 | 0 | 0 | 0 | 111.4 | M349 I387 D391 V392 A395 | V347-M349 VanDerWaalsContact C-N 3.3Å; V347-M349 PolarHBondContact O-N 3.13Å; V347-I387 HydrophobicContact CG2-CB 4.1Å; V347-I387 HydrophobicContact CG2-CD1 4.14Å; V347-I387 HydrophobicContact CG2-CG2 4.42Å; V347-D391 HydrophobicContact CG1-CB 4.22Å; V347-D391 WeakPolarHBondContact CG1-O 3.43Å; V347-D391 HydrophobicContact CG2-CB 3.96Å; V347-V392 HydrophobicContact CG1-CG2 4.47Å; V347-V392 HydrophobicContact CG2-CG2 4.03Å; V347-A395 HydrophobicContact CG1-CB 3.57Å |
| 348 | E | 96.8 | Very high | 93.5 | Very high | 26 Ų | 26 | 24.7 Ų | 24.7 | 12% | 0.121 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68.4 | -28.9 | 179.7 | -174.8 | 58.1 | -146.9 | 0 | 0 | 112.4 | R76 V116 F118 S346 Y350 R351 Q352 | R76-E348 IonicContact CZ-OE1 3.82Å; R76-E348 IonicContact CZ-OE2 2.67Å; R76-E348 IonicContact NH1-OE1 2.76Å; R76-E348 IonicContact NH1-OE2 3.39Å; R76-E348 PolarHBondContact NH1-OE2 2.79Å; R76-E348 IonicContact NH2-OE1 3.73Å; R76-E348 PolarHBondContact NH2-OE1 2.86Å; R76-E348 IonicContact NH2-OE2 3.44Å; R76-E348 PolarHBondContact NH2-OE2 3.05Å; V116-E348 HydrophobicContact CG2-CG 4.12Å; F118-E348 HydrophobicContact CZ-CG 4.22Å; S346-E348 PolarHBondContact O-N 3.13Å; S346-E348 WeakPolarHBondContact OG-CB 3.45Å; S346-E348 PolarHBondContact OG-N 3.13Å; E348-Y350 VanDerWaalsContact C-N 3.3Å; E348-Y350 PolarHBondContact O-N 3.05Å; E348-R351 WeakPolarHBondContact O-CB 3.38Å; E348-R351 PolarHBondContact O-N 2.82Å; E348-R351 VanDerWaalsContact O-N 3.1Å; E348-R351 IonicContact OE2-NH1 2.99Å; E348-Q352 HydrophobicContact CG-CG 4.28Å; E348-Q352 PolarHBondContact O-N 2.88Å; E348-Q352 VanDerWaalsContact O-N 3.07Å; E348-Q352 PolarHBondContact OE1-NE2 3.42Å |
| 349 | M | 97.1 | Very high | 94 | Very high | 6 Ų | 6 | 20.4 Ų | 20.4 | 3% | 0.03 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63 | -38 | -179.7 | -171.2 | 57.7 | 73.2 | 0 | 0 | 111.5 | M113 V114 T334 T337 S346 V347 R351 Q352 V353 Q647 | M113-M349 HydrophobicContact CG-CE 4.46Å; M113-M349 HydrophobicContact CG-SD 4.06Å; M113-M349 HydrophobicContact SD-SD 4.1Å; V114-M349 HydrophobicContact CB-CE 4.33Å; V114-M349 HydrophobicContact CG1-CE 4.42Å; V114-M349 HydrophobicContact CG2-CE 3.88Å; T334-M349 WeakPolarHBondContact O-CB 3.31Å; T334-M349 WeakPolarHBondContact O-CG 3.46Å; T337-M349 HydrophobicContact CG2-CE 4.07Å; S346-M349 PolarHBondContact O-N 2.9Å; V347-M349 VanDerWaalsContact C-N 3.3Å; V347-M349 PolarHBondContact O-N 3.13Å; M349-R351 VanDerWaalsContact C-N 3.3Å; M349-R351 PolarHBondContact O-N 3.49Å; M349-Q352 PolarHBondContact O-N 2.82Å; M349-V353 HydrophobicContact CG-CG2 3.96Å; M349-V353 VanDerWaalsContact O-CB 3.28Å; M349-V353 WeakPolarHBondContact O-CB 3.29Å; M349-V353 WeakPolarHBondContact O-CG2 3.31Å; M349-V353 PolarHBondContact O-N 3.3Å; M349-V353 HydrophobicContact SD-CG2 3.86Å; M349-Q647 HydrophobicContact CE-CB 4.35Å |
| 350 | Y | 98.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -57.1 | -42.5 | 173.5 | -72.1 | -80.4 | 0 | 0 | 0 | 112.6 | T334 E348 L354 I361 E362 L363 I387 V392 I396 | T334-Y350 HydrophobicContact CG2-CD1 3.57Å; T334-Y350 HydrophobicContact CG2-CE1 3.74Å; T334-Y350 HydrophobicContact CG2-CG 4.26Å; E348-Y350 VanDerWaalsContact C-N 3.3Å; E348-Y350 PolarHBondContact O-N 3.05Å; Y350-L354 WeakPolarHBondContact O-CB 3.37Å; Y350-L354 WeakPolarHBondContact O-CD1 3.38Å; Y350-L354 VanDerWaalsContact O-CG 3.25Å; Y350-L354 WeakPolarHBondContact O-CG 3.42Å; Y350-L354 PolarHBondContact O-N 3.01Å; Y350-I361 HydrophobicContact CD1-CD1 3.86Å; Y350-I361 HydrophobicContact CE1-CD1 4.34Å; Y350-E362 WeakPolarHBondContact CE1-O 3.22Å; Y350-E362 PolarHBondContact OH-O 2.73Å; Y350-L363 HydrophobicContact CE1-CG 4.14Å; Y350-I387 HydrophobicContact CE2-CD1 4.24Å; Y350-V392 HydrophobicContact CD1-CG1 4.18Å; Y350-V392 HydrophobicContact CD2-CB 4.33Å; Y350-V392 HydrophobicContact CD2-CG1 3.65Å; Y350-V392 HydrophobicContact CD2-CG2 3.88Å; Y350-V392 HydrophobicContact CE1-CG1 3.99Å; Y350-V392 HydrophobicContact CE2-CB 4.17Å; Y350-V392 HydrophobicContact CE2-CG1 3.42Å; Y350-V392 VanDerWaalsContact CE2-CG1 3.42Å; Y350-V392 HydrophobicContact CE2-CG2 3.6Å; Y350-V392 HydrophobicContact CG-CG1 4.01Å; Y350-I396 HydrophobicContact CD1-CD1 4.1Å; Y350-I396 HydrophobicContact CD1-CG1 4.22Å; Y350-I396 HydrophobicContact CE1-CD1 4.44Å; Y350-I396 HydrophobicContact CG-CG1 4.44Å |
| 351 | R | 98.4 | Very high | 95.4 | Very high | 33 Ų | 33 | 19.2 Ų | 19.2 | 13% | 0.125 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.5 | -54.3 | 176.6 | -64.9 | -168.8 | 169.6 | 81.8 | 0.8 | 111 | E348 M349 V353 L354 L355 A395 E398 T399 | E348-R351 WeakPolarHBondContact O-CB 3.38Å; E348-R351 PolarHBondContact O-N 2.82Å; E348-R351 VanDerWaalsContact O-N 3.1Å; E348-R351 IonicContact OE2-NH1 2.99Å; M349-R351 VanDerWaalsContact C-N 3.3Å; M349-R351 PolarHBondContact O-N 3.49Å; R351-V353 VanDerWaalsContact C-N 3.32Å; R351-V353 PolarHBondContact O-N 2.89Å; R351-L354 PolarHBondContact O-N 3.43Å; R351-L355 WeakPolarHBondContact O-CB 3.06Å; R351-L355 WeakPolarHBondContact O-CD1 3.37Å; R351-L355 WeakPolarHBondContact O-CG 3.34Å; R351-L355 PolarHBondContact O-N 2.79Å; R351-A395 HydrophobicContact CG-CB 3.99Å; R351-A395 VanDerWaalsContact CZ-CB 3.49Å; R351-E398 IonicContact CZ-OE2 3.26Å; R351-E398 IonicContact NE-OE1 2.65Å; R351-E398 IonicContact NE-OE2 3.41Å; R351-E398 PolarHBondContact NE-OE2 2.97Å; R351-E398 IonicContact NH2-OE2 2.72Å; R351-E398 PolarHBondContact NH2-OE2 3.18Å; R351-T399 HydrophobicContact CB-CG2 3.85Å; R351-T399 HydrophobicContact CG-CG2 3.66Å |
| 352 | Q | 97.6 | Very high | 96.2 | Very high | 2 Ų | 2 | 15.3 Ų | 15.3 | 1% | 0.009 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.9 | -41.5 | -177.9 | -61 | -60.4 | -42.6 | 0 | 0 | 111.7 | C73 M113 V116 E348 M349 L355 T356 | C73-Q352 VanDerWaalsContact CB-OE1 3.23Å; M113-Q352 HydrophobicContact CB-CB 3.93Å; V116-Q352 HydrophobicContact CG1-CG 4.24Å; E348-Q352 HydrophobicContact CG-CG 4.28Å; E348-Q352 PolarHBondContact O-N 2.88Å; E348-Q352 VanDerWaalsContact O-N 3.07Å; E348-Q352 PolarHBondContact OE1-NE2 3.42Å; M349-Q352 PolarHBondContact O-N 2.82Å; Q352-L355 PolarHBondContact O-N 3.46Å; Q352-T356 WeakPolarHBondContact O-CG2 3.36Å; Q352-T356 PolarHBondContact O-N 2.66Å |
| 353 | V | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 10.3 Ų | 10.3 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -62.9 | -47.8 | 176.2 | 169.7 | 0 | 0 | 0 | 0 | 111.3 | M113 T334 M349 R351 L355 T356 C358 I361 F646 | M113-V353 HydrophobicContact SD-CG2 4.21Å; T334-V353 HydrophobicContact CG2-CB 4.06Å; T334-V353 HydrophobicContact CG2-CG1 3.94Å; T334-V353 HydrophobicContact CG2-CG2 4.09Å; M349-V353 HydrophobicContact CG-CG2 3.96Å; M349-V353 VanDerWaalsContact O-CB 3.28Å; M349-V353 WeakPolarHBondContact O-CB 3.29Å; M349-V353 WeakPolarHBondContact O-CG2 3.31Å; M349-V353 PolarHBondContact O-N 3.3Å; M349-V353 HydrophobicContact SD-CG2 3.86Å; R351-V353 VanDerWaalsContact C-N 3.32Å; R351-V353 PolarHBondContact O-N 2.89Å; V353-L355 VanDerWaalsContact C-N 3.28Å; V353-L355 PolarHBondContact O-N 3Å; V353-T356 PolarHBondContact O-N 3.3Å; V353-T356 VanDerWaalsContact O-N 3.15Å; V353-T356 PolarHBondContact O-OG1 3.48Å; V353-C358 HydrophobicContact CG1-CB 3.49Å; V353-C358 VanDerWaalsContact CG1-CB 3.49Å; V353-C358 WeakPolarHBondContact O-CB 3.33Å; V353-C358 PolarHBondContact O-N 3.29Å; V353-I361 HydrophobicContact CG1-CG2 3.83Å; V353-F646 HydrophobicContact CB-CD1 4.21Å; V353-F646 HydrophobicContact CG1-CD1 3.8Å; V353-F646 HydrophobicContact CG1-CE1 3.89Å; V353-F646 HydrophobicContact CG1-CG 4.37Å; V353-F646 HydrophobicContact CG2-CB 3.92Å; V353-F646 HydrophobicContact CG2-CD1 3.74Å; V353-F646 HydrophobicContact CG2-CG 4.08Å |
| 354 | L | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -62.7 | -34.5 | 177.1 | -71.3 | 167.1 | 0 | 0 | 0 | 112.5 | Y350 R351 T356 G357 I361 I396 T399 V408 | Y350-L354 WeakPolarHBondContact O-CB 3.37Å; Y350-L354 WeakPolarHBondContact O-CD1 3.38Å; Y350-L354 VanDerWaalsContact O-CG 3.25Å; Y350-L354 WeakPolarHBondContact O-CG 3.42Å; Y350-L354 PolarHBondContact O-N 3.01Å; R351-L354 PolarHBondContact O-N 3.43Å; L354-T356 VanDerWaalsContact C-N 3.28Å; L354-T356 PolarHBondContact O-N 3.13Å; L354-G357 PolarHBondContact O-N 3Å; L354-G357 VanDerWaalsContact O-N 3.13Å; L354-I361 HydrophobicContact CD1-CD1 4.18Å; L354-I361 HydrophobicContact CD2-CD1 4.15Å; L354-I361 HydrophobicContact CD2-CG2 4.27Å; L354-I361 HydrophobicContact CG-CD1 4.35Å; L354-I396 HydrophobicContact CD1-CB 4.28Å; L354-I396 HydrophobicContact CD1-CG1 4.14Å; L354-I396 HydrophobicContact CD1-CG2 4.16Å; L354-T399 WeakPolarHBondContact CD1-OG1 3.42Å; L354-V408 HydrophobicContact CD2-CG1 4.01Å; L354-V408 HydrophobicContact CD2-CG2 4.28Å |
| 355 | L | 97 | Very high | 97.6 | Very high | 19 Ų | 19 | 8 Ų | 8 | 10% | 0.099 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -68.6 | -19.7 | 176.2 | -72.6 | 162.8 | 0 | 0 | 0 | 114.1 | D74 F137 R351 Q352 V353 G357 K402 A403 | D74-L355 HydrophobicContact CB-CD1 3.65Å; F137-L355 HydrophobicContact CE2-CD2 3.84Å; F137-L355 HydrophobicContact CZ-CD2 3.82Å; R351-L355 WeakPolarHBondContact O-CB 3.06Å; R351-L355 WeakPolarHBondContact O-CD1 3.37Å; R351-L355 WeakPolarHBondContact O-CG 3.34Å; R351-L355 PolarHBondContact O-N 2.79Å; Q352-L355 PolarHBondContact O-N 3.46Å; V353-L355 VanDerWaalsContact C-N 3.28Å; V353-L355 PolarHBondContact O-N 3Å; L355-G357 PolarHBondContact O-N 3.32Å; L355-K402 HydrophobicContact CD2-CB 3.95Å; L355-K402 HydrophobicContact CD2-CD 4.15Å; L355-A403 WeakPolarHBondContact O-CB 3.02Å |
| 356 | T | 95.5 | Very high | 97.5 | Very high | 8 Ų | 8 | 9.1 Ų | 9.1 | 5% | 0.049 | 5% | 0.047 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 13.7 | 168.9 | 66.3 | 0 | 0 | 0 | 0 | 113.8 | N329 Q352 V353 L354 C358 F646 M657 H665 F799 | N329-T356 PolarHBondContact ND2-O 2.96Å; Q352-T356 WeakPolarHBondContact O-CG2 3.36Å; Q352-T356 PolarHBondContact O-N 2.66Å; V353-T356 PolarHBondContact O-N 3.3Å; V353-T356 VanDerWaalsContact O-N 3.15Å; V353-T356 PolarHBondContact O-OG1 3.48Å; L354-T356 VanDerWaalsContact C-N 3.28Å; L354-T356 PolarHBondContact O-N 3.13Å; T356-C358 PolarHBondContact O-N 3.25Å; T356-F646 WeakPolarHBondContact OG1-CE1 3.41Å; T356-M657 HydrophobicContact CG2-CE 4.05Å; T356-M657 HydrophobicContact CG2-SD 4.15Å; T356-H665 VanDerWaalsContact C-CE1 3.45Å; T356-H665 PolarHBondContact O-CE1 3.37Å; T356-F799 HydrophobicContact CG2-CE2 3.58Å; T356-F799 HydrophobicContact CG2-CZ 3.82Å |
| 357 | G | 96.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 5% | 0.054 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | 24.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | N329 L354 L355 G667 | N329-G357 PolarHBondContact ND2-O 3.11Å; N329-G357 VanDerWaalsContact ND2-O 3.12Å; L354-G357 PolarHBondContact O-N 3Å; L354-G357 VanDerWaalsContact O-N 3.13Å; L355-G357 PolarHBondContact O-N 3.32Å; G357-G667 WeakPolarHBondContact O-CA 3.49Å |
| 358 | C | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 5% | 0.051 | C | C | . | . | trans | -70.3 | 138.1 | 171.3 | -168.2 | 0 | 0 | 0 | 0 | 109.9 | N329 V353 T356 C360 F646 | N329-C358 WeakPolarHBondContact ND2-CA 3.31Å; N329-C358 PolarHBondContact ND2-N 3.21Å; N329-C358 PolarHBondContact O-SG 3.33Å; N329-C358 VanDerWaalsContact O-SG 3.4Å; V353-C358 HydrophobicContact CG1-CB 3.49Å; V353-C358 VanDerWaalsContact CG1-CB 3.49Å; V353-C358 WeakPolarHBondContact O-CB 3.33Å; V353-C358 PolarHBondContact O-N 3.29Å; T356-C358 PolarHBondContact O-N 3.25Å; C358-C360 PolarHBondContact SG-O 3.08Å; C358-C360 VanDerWaalsContact SG-O 3.42Å; C358-F646 HydrophobicContact CB-CE1 3.83Å; C358-F646 HydrophobicContact CB-CZ 3.99Å; C358-F646 VanDerWaalsContact SG-CZ 3.58Å | ||
| 359 | R | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 7% | 0.068 | C | C | . | . | trans | -123 | -14.4 | -171.5 | -61.9 | -68.3 | 84.5 | -179.2 | 3.8 | 114 | I328 N329 A400 S404 Y406 P407 V408 I409 S666 Y668 | I328-R359 HydrophobicContact CG2-CB 3.82Å; N329-R359 PolarHBondContact O-N 3.08Å; R359-A400 VanDerWaalsContact CZ-O 3.24Å; R359-A400 PolarHBondContact NH1-O 3.02Å; R359-A400 PolarHBondContact NH2-O 2.86Å; R359-S404 PolarHBondContact NH1-O 3.27Å; R359-Y406 PolarHBondContact NH1-O 3.05Å; R359-P407 WeakPolarHBondContact CD-O 3.45Å; R359-V408 CarbonylContact O-C 3.58Å; R359-V408 WeakPolarHBondContact O-CA 3.12Å; R359-I409 PolarHBondContact O-N 3.41Å; R359-S666 WeakPolarHBondContact CD-O 3.38Å; R359-Y668 HydrophobicContact CB-CE2 3.84Å; R359-Y668 HydrophobicContact CG-CD2 3.86Å; R359-Y668 HydrophobicContact CG-CE2 3.47Å; R359-Y668 VanDerWaalsContact CG-CE2 3.47Å | ||
| 360 | C | 98.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 124.8 | 167.7 | 178.3 | 0 | 0 | 0 | 0 | 110 | N329 S330 S331 C358 I409 M641 | N329-C360 PolarHBondContact O-N 3.48Å; S330-C360 WeakPolarHBondContact OG-CB 3.35Å; S331-C360 PolarHBondContact N-O 2.71Å; C358-C360 PolarHBondContact SG-O 3.08Å; C358-C360 VanDerWaalsContact SG-O 3.42Å; C360-I409 WeakPolarHBondContact CA-O 3.47Å; C360-I409 HydrophobicContact CB-CB 4.29Å; C360-M641 HydrophobicContact CB-CG 4.19Å; C360-M641 HydrophobicContact CB-SD 4.35Å |
| 361 | I | 98.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 157.7 | -177.9 | 52.5 | 165.3 | 0 | 0 | 0 | 111.7 | T334 Y350 V353 L354 I396 V408 I409 L410 S411 | T334-I361 HydrophobicContact CG2-CB 4.03Å; T334-I361 HydrophobicContact CG2-CG2 3.86Å; Y350-I361 HydrophobicContact CD1-CD1 3.86Å; Y350-I361 HydrophobicContact CE1-CD1 4.34Å; V353-I361 HydrophobicContact CG1-CG2 3.83Å; L354-I361 HydrophobicContact CD1-CD1 4.18Å; L354-I361 HydrophobicContact CD2-CD1 4.15Å; L354-I361 HydrophobicContact CD2-CG2 4.27Å; L354-I361 HydrophobicContact CG-CD1 4.35Å; I361-I396 HydrophobicContact CD1-CD1 3.63Å; I361-I396 HydrophobicContact CD1-CG1 3.74Å; I361-I396 HydrophobicContact CD1-CG2 4.34Å; I361-V408 HydrophobicContact CG1-CG1 4.38Å; I361-I409 PolarHBondContact N-O 3.5Å; I361-L410 HydrophobicContact CD1-CD2 3.52Å; I361-L410 HydrophobicContact CG1-CD2 3.52Å; I361-S411 WeakPolarHBondContact O-CB 3.33Å; I361-S411 PolarHBondContact O-N 2.84Å |
| 362 | E | 98.6 | Very high | 93.2 | Very high | 4 Ų | 4 | 29.5 Ų | 29.5 | 2% | 0.019 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 137.7 | -168.8 | -169 | 122.8 | -98.2 | 0 | 0 | 113.3 | H332 N333 T334 Y350 S411 R616 | H332-E362 IonicContact CD2-OE2 3.3Å; H332-E362 PolarHBondContact CD2-OE2 2.78Å; H332-E362 VanDerWaalsContact CD2-OE2 3.25Å; H332-E362 IonicContact CG-OE2 2.99Å; N333-E362 PolarHBondContact N-OE2 2.77Å; T334-E362 PolarHBondContact OG1-N 2.93Å; Y350-E362 WeakPolarHBondContact CE1-O 3.22Å; Y350-E362 PolarHBondContact OH-O 2.73Å; E362-S411 CarbonylContact C-O 3.6Å; E362-S411 WeakPolarHBondContact CA-O 3.33Å; E362-S411 WeakPolarHBondContact OE1-CB 3.49Å; E362-S411 PolarHBondContact OE1-OG 3.06Å; E362-R616 VanDerWaalsContact CD-NH1 3.26Å; E362-R616 IonicContact OE1-CZ 2.82Å; E362-R616 IonicContact OE1-NH1 2.77Å; E362-R616 PolarHBondContact OE1-NH1 3.39Å; E362-R616 IonicContact OE1-NH2 2.64Å; E362-R616 PolarHBondContact OE1-NH2 3.03Å; E362-R616 IonicContact OE2-CZ 3.56Å; E362-R616 VanDerWaalsContact OE2-CZ 3.24Å; E362-R616 IonicContact OE2-NH1 3.19Å; E362-R616 PolarHBondContact OE2-NH1 2.85Å; E362-R616 IonicContact OE2-NH2 2.76Å; E362-R616 PolarHBondContact OE2-NH2 3.37Å |
| 363 | L | 98.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 96 | -176.6 | -59.8 | 88.7 | 0 | 0 | 0 | 110.7 | Y350 C365 I377 F389 V392 I393 I396 L410 S411 F412 E413 | Y350-L363 HydrophobicContact CE1-CG 4.14Å; L363-C365 PolarHBondContact O-N 2.93Å; L363-C365 PolarHBondContact O-SG 3.23Å; L363-I377 HydrophobicContact CB-CD1 4.1Å; L363-I377 HydrophobicContact CD2-CD1 4.07Å; L363-I377 HydrophobicContact CG-CD1 4.31Å; L363-F389 HydrophobicContact CD2-CE2 4.23Å; L363-V392 HydrophobicContact CD2-CG1 3.9Å; L363-I393 HydrophobicContact CD2-CD1 4.05Å; L363-I396 HydrophobicContact CD2-CD1 4.03Å; L363-L410 HydrophobicContact CD1-CB 3.99Å; L363-L410 HydrophobicContact CD1-CD2 4.28Å; L363-S411 PolarHBondContact N-O 2.85Å; L363-F412 HydrophobicContact CD2-CZ 4.48Å; L363-E413 PolarHBondContact O-N 2.84Å |
| 364 | D | 97.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 98.9 | 174.2 | -67.4 | 32.1 | 0 | 0 | 0 | 109.6 | Y335 W366 I377 T378 | Y335-D364 HydrophobicContact CE1-CB 3.84Å; Y335-D364 WeakPolarHBondContact CE1-OD1 3.26Å; Y335-D364 PolarHBondContact OH-OD2 2.91Å; D364-W366 VanDerWaalsContact O-CD1 3.27Å; D364-I377 VanDerWaalsContact O-CA 3.24Å; D364-I377 WeakPolarHBondContact O-CA 3.45Å; D364-T378 VanDerWaalsContact CB-O 3.3Å; D364-T378 WeakPolarHBondContact CB-O 3.4Å |
| 365 | C | 96.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 118.9 | -168.9 | -60.7 | 0 | 0 | 0 | 0 | 111.6 | L363 E413 H415 V416 M425 | L363-C365 PolarHBondContact O-N 2.93Å; L363-C365 PolarHBondContact O-SG 3.23Å; C365-E413 PolarHBondContact N-O 3.19Å; C365-H415 CarbonylContact O-C 3.55Å; C365-H415 WeakPolarHBondContact O-CA 3.29Å; C365-H415 WeakPolarHBondContact O-CB 3.33Å; C365-H415 PolarHBondContact O-N 3.49Å; C365-V416 HydrophobicContact CB-CG2 4.16Å; C365-V416 WeakPolarHBondContact O-CG2 3.29Å; C365-M425 HydrophobicContact CB-CE 3.5Å; C365-M425 HydrophobicContact CB-SD 4.34Å; C365-M425 VanDerWaalsContact SG-CE 3.57Å |
| 366 | W | 94.4 | Very high | 92.1 | Very high | 30 Ų | 30 | 36.4 Ų | 36.4 | 11% | 0.114 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 153 | -177 | -65.6 | 86.4 | 0 | 0 | 0 | 112.5 | D364 Y376 T378 F381 H415 T549 | D364-W366 VanDerWaalsContact O-CD1 3.27Å; W366-Y376 HydrophobicContact CB-CD2 3.97Å; W366-Y376 HydrophobicContact CB-CE1 4.34Å; W366-Y376 HydrophobicContact CB-CE2 3.62Å; W366-Y376 HydrophobicContact CB-CG 4.48Å; W366-Y376 HydrophobicContact CG-CE2 4.32Å; W366-Y376 PolarHBondContact N-O 3.44Å; W366-Y376 PolarHBondContact O-N 3.42Å; W366-T378 VanDerWaalsContact CD1-O 3.27Å; W366-T378 HydrophobicContact CG-CG2 4.38Å; W366-T378 PolarHBondContact NE1-O 2.77Å; W366-F381 HydrophobicContact CH2-CD2 4.24Å; W366-F381 AromaticContact CH2-CE2 3.75Å; W366-F381 HydrophobicContact CH2-CE2 3.75Å; W366-F381 HydrophobicContact CH2-CZ 4.34Å; W366-F381 HydrophobicContact CZ3-CE2 4.08Å; W366-F381 HydrophobicContact CZ3-CZ 4.21Å; W366-H415 HydrophobicContact CD2-CB 3.79Å; W366-H415 AromaticContact CE2-CD2 3.45Å; W366-H415 VanDerWaalsContact CE2-CD2 3.45Å; W366-H415 AromaticContact CE2-CG 3.85Å; W366-H415 HydrophobicContact CE3-CB 3.62Å; W366-H415 HydrophobicContact CG-CB 4.49Å; W366-H415 HydrophobicContact CH2-CB 3.85Å; W366-H415 AromaticContact CH2-CD2 3.69Å; W366-H415 AromaticContact CH2-CG 3.49Å; W366-H415 VanDerWaalsContact CH2-CG 3.49Å; W366-H415 AromaticContact CH2-ND1 3.82Å; W366-H415 HydrophobicContact CZ2-CB 4.01Å; W366-H415 AromaticContact CZ2-CD2 3.17Å; W366-H415 WeakPolarHBondContact CZ2-CD2 3.49Å; W366-H415 AromaticContact CZ2-CG 3.48Å; W366-H415 VanDerWaalsContact CZ2-CG 3.48Å; W366-H415 AromaticContact CZ2-NE2 3.6Å; W366-H415 HydrophobicContact CZ3-CB 3.67Å; W366-H415 AromaticContact CZ3-CG 3.86Å; W366-H415 AromaticContact NE1-CD2 3.91Å; W366-T549 HydrophobicContact CZ2-CG2 4.25Å |
| 367 | K | 92.2 | Very high | 92.2 | Very high | 94 Ų | 94 | 36 Ų | 36 | 41% | 0.409 | 19% | 0.188 | S | C | . | . | P | Polyproline II helix | trans | -73.9 | 130.2 | -171.9 | 67.2 | -172 | -174.6 | 176.2 | 0 | 113.3 | Y376 V416 D417 | K367-Y376 WeakPolarHBondContact O-CE1 3.4Å; K367-V416 HydrophobicContact CB-CG1 4.45Å; K367-D417 WeakPolarHBondContact CD-OD1 3.34Å; K367-D417 VanDerWaalsContact NZ-CG 3.29Å; K367-D417 IonicContact NZ-OD1 2.71Å; K367-D417 PolarHBondContact NZ-OD1 3.33Å; K367-D417 VanDerWaalsContact NZ-OD1 3.17Å; K367-D417 IonicContact NZ-OD2 2.9Å; K367-D417 PolarHBondContact NZ-OD2 3.41Å |
| 368 | G | 88.8 | Confident | 92.1 | Very high | 9 Ų | 9 | 36.5 Ų | 36.5 | 9% | 0.093 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -62.2 | 140.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E374 Q421 | G368-E374 WeakPolarHBondContact CA-O 3.43Å; G368-Q421 PolarHBondContact O-NE2 2.7Å |
| 369 | K | 84.9 | Confident | 91.8 | Very high | 112 Ų | 112 | 37.8 Ų | 37.8 | 49% | 0.487 | 20% | 0.197 | S | C | . | . | P | Polyproline II helix | trans | -83 | 147.2 | 176.5 | -62.9 | 152.7 | -166.7 | 164.9 | 0 | 109.5 | E373 Y376 E386 | K369-E373 PolarHBondContact O-N 2.69Å; K369-Y376 WeakPolarHBondContact CE-OH 3.21Å; K369-E386 IonicContact NZ-OE1 2.71Å; K369-E386 PolarHBondContact NZ-OE1 3.31Å; K369-E386 IonicContact NZ-OE2 2.62Å; K369-E386 PolarHBondContact NZ-OE2 3.3Å |
| 370 | P | 80.3 | Confident | 91.1 | Very high | 114 Ų | 114 | 38 Ų | 38 | 74% | 0.74 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 150.6 | 170.2 | -21.5 | 33.9 | 0 | 0 | 0 | 111.5 | ||
| 371 | P | 74.5 | Confident | 90.3 | Very high | 109 Ų | 109 | 47.4 Ų | 47.4 | 71% | 0.708 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -85.5 | -23.3 | 8.5 | 33.4 | -35.1 | 0 | 0 | 0 | 115.1 | E373 | P371-E373 PolarHBondContact O-N 3.1Š|
| 372 | D | 74 | Confident | 89.7 | Confident | 119 Ų | 119 | 49.4 Ų | 49.4 | 64% | 0.636 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -21.7 | -163.8 | -51.8 | -57.9 | 0 | 0 | 0 | 114.1 | E374 | D372-E374 HydrophobicContact CB-CG 4.38Å; D372-E374 PolarHBondContact O-N 2.74Å; D372-E374 VanDerWaalsContact O-N 3.13Å |
| 373 | E | 85.8 | Confident | 89.1 | Confident | 53 Ų | 53 | 56.7 Ų | 56.7 | 25% | 0.248 | 29% | 0.289 | C | S | . | . | trans | 52.7 | 32.3 | 179.4 | -64.8 | -176 | -148.4 | 0 | 0 | 113.8 | K369 P371 K420 Q421 K424 | K369-E373 PolarHBondContact O-N 2.69Å; P371-E373 PolarHBondContact O-N 3.1Å; E373-K420 IonicContact OE1-NZ 3.31Å; E373-K420 PolarHBondContact OE1-NZ 3.34Å; E373-K420 VanDerWaalsContact OE2-CD 3.3Å; E373-K420 WeakPolarHBondContact OE2-CD 3.36Å; E373-K420 WeakPolarHBondContact OE2-CE 3.47Å; E373-K420 IonicContact OE2-NZ 3.01Å; E373-K420 PolarHBondContact OE2-NZ 2.59Å; E373-Q421 HydrophobicContact CB-CG 4.49Å; E373-K424 PolarHBondContact O-NZ 3.04Å | ||
| 374 | E | 91.8 | Very high | 88.7 | Confident | 75 Ų | 75 | 57.2 Ų | 57.2 | 35% | 0.35 | 29% | 0.293 | S | S | . | . | trans | -79.8 | 122.8 | 175 | -71.2 | -57.5 | 156.4 | 0 | 0 | 111.9 | G368 D372 K424 Y428 | G368-E374 WeakPolarHBondContact CA-O 3.43Å; D372-E374 HydrophobicContact CB-CG 4.38Å; D372-E374 PolarHBondContact O-N 2.74Å; D372-E374 VanDerWaalsContact O-N 3.13Å; E374-K424 VanDerWaalsContact OE1-CE 3.26Å; E374-K424 WeakPolarHBondContact OE1-CE 3.42Å; E374-K424 IonicContact OE1-NZ 2.77Å; E374-K424 PolarHBondContact OE1-NZ 2.92Å; E374-K424 WeakPolarHBondContact OE2-CE 3.49Å; E374-K424 IonicContact OE2-NZ 3.2Å; E374-K424 PolarHBondContact OE2-NZ 2.98Å; E374-K424 VanDerWaalsContact OE2-NZ 3.1Å; E374-Y428 PolarHBondContact OE1-OH 2.93Å; E374-Y428 PolarHBondContact OE2-OH 2.84Å | ||
| 375 | P | 94.6 | Very high | 88.6 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | trans | -60.1 | 145.3 | 171.2 | -17.3 | 29.6 | 0 | 0 | 0 | 111.3 | F389 Q421 M425 | P375-F389 HydrophobicContact CB-CB 3.94Å; P375-F389 HydrophobicContact CB-CG 4.37Å; P375-F389 WeakPolarHBondContact O-CB 3.3Å; P375-F389 PolarHBondContact O-N 2.91Å; P375-Q421 HydrophobicContact CG-CB 4.27Å; P375-M425 HydrophobicContact CB-CG 3.94Å; P375-M425 HydrophobicContact CB-SD 4.23Å; P375-M425 HydrophobicContact CG-CG 3.72Å; P375-M425 HydrophobicContact CG-SD 4.4Å | ||
| 376 | Y | 95.4 | Very high | 88.5 | Confident | 36 Ų | 36 | 65.1 Ų | 65.1 | 14% | 0.141 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 165.8 | 180 | 66.2 | -96.8 | 0 | 0 | 0 | 112.1 | W366 K367 K369 T378 E386 I387 | W366-Y376 HydrophobicContact CB-CD2 3.97Å; W366-Y376 HydrophobicContact CB-CE1 4.34Å; W366-Y376 HydrophobicContact CB-CE2 3.62Å; W366-Y376 HydrophobicContact CB-CG 4.48Å; W366-Y376 HydrophobicContact CG-CE2 4.32Å; W366-Y376 PolarHBondContact N-O 3.44Å; W366-Y376 PolarHBondContact O-N 3.42Å; K367-Y376 WeakPolarHBondContact O-CE1 3.4Å; K369-Y376 WeakPolarHBondContact CE-OH 3.21Å; Y376-T378 HydrophobicContact CD2-CG2 4.18Å; Y376-T378 HydrophobicContact CE2-CG2 3.7Å; Y376-E386 HydrophobicContact CD2-CB 3.7Å; Y376-E386 HydrophobicContact CD2-CG 3.69Å; Y376-E386 HydrophobicContact CE2-CB 4.07Å; Y376-E386 HydrophobicContact CE2-CG 3.5Å; Y376-E386 VanDerWaalsContact CE2-CG 3.5Å; Y376-E386 VanDerWaalsContact CE2-OE1 3.28Å; Y376-E386 WeakPolarHBondContact CE2-OE1 3.4Å; Y376-E386 HydrophobicContact CG-CB 4.24Å; Y376-E386 VanDerWaalsContact CZ-OE1 3.24Å; Y376-E386 PolarHBondContact OH-OE1 3.27Å; Y376-I387 CarbonylContact C-O 3.59Å; Y376-I387 VanDerWaalsContact CA-O 3.27Å; Y376-I387 WeakPolarHBondContact CA-O 3.42Å; Y376-I387 WeakPolarHBondContact CB-O 3.24Å |
| 377 | I | 97.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 133.6 | 177.2 | -66.7 | 163.5 | 0 | 0 | 0 | 109.9 | Y335 L363 D364 I387 F389 V392 | Y335-I377 HydrophobicContact CD1-CG2 3.51Å; Y335-I377 HydrophobicContact CD2-CG2 4.13Å; Y335-I377 HydrophobicContact CE1-CG2 4.09Å; Y335-I377 HydrophobicContact CG-CG2 3.56Å; L363-I377 HydrophobicContact CB-CD1 4.1Å; L363-I377 HydrophobicContact CD2-CD1 4.07Å; L363-I377 HydrophobicContact CG-CD1 4.31Å; D364-I377 VanDerWaalsContact O-CA 3.24Å; D364-I377 WeakPolarHBondContact O-CA 3.45Å; I377-I387 HydrophobicContact CB-CG1 4Å; I377-I387 HydrophobicContact CG2-CG1 4.44Å; I377-I387 PolarHBondContact N-O 2.79Å; I377-I387 PolarHBondContact O-N 2.89Å; I377-F389 HydrophobicContact CD1-CD2 3.95Å; I377-F389 HydrophobicContact CG1-CD2 4.28Å; I377-V392 HydrophobicContact CD1-CB 3.97Å; I377-V392 HydrophobicContact CD1-CG1 3.84Å; I377-V392 HydrophobicContact CD1-CG2 3.97Å |
| 378 | T | 95.3 | Very high | 88.8 | Confident | 10 Ų | 10 | 62.6 Ų | 62.6 | 6% | 0.061 | 33% | 0.33 | C | S | . | . | trans | -167.6 | 166.7 | 173.9 | -160.7 | 0 | 0 | 0 | 0 | 109.8 | D364 W366 Y376 T384 T385 E386 | D364-T378 VanDerWaalsContact CB-O 3.3Å; D364-T378 WeakPolarHBondContact CB-O 3.4Å; W366-T378 VanDerWaalsContact CD1-O 3.27Å; W366-T378 HydrophobicContact CG-CG2 4.38Å; W366-T378 PolarHBondContact NE1-O 2.77Å; Y376-T378 HydrophobicContact CD2-CG2 4.18Å; Y376-T378 HydrophobicContact CE2-CG2 3.7Å; T378-T384 PolarHBondContact OG1-O 3.14Å; T378-T384 VanDerWaalsContact OG1-O 3.08Å; T378-T384 PolarHBondContact OG1-OG1 3.04Å; T378-T385 PolarHBondContact OG1-O 2.87Å; T378-E386 HydrophobicContact CG2-CG 4.28Å | ||
| 379 | H | 90.8 | Very high | 89.2 | Confident | 27 Ų | 27 | 62.1 Ų | 62.1 | 13% | 0.125 | 33% | 0.326 | C | S | . | . | trans | -84.4 | 118.5 | 172.2 | -173.7 | -143 | 0 | 0 | 0 | 110.5 | Y335 Q340 T382 T384 | Y335-H379 HydrophobicContact CE2-CB 4.01Å; Y335-H379 WeakPolarHBondContact OH-CA 3.34Å; Y335-H379 WeakPolarHBondContact OH-CB 3.39Å; Q340-H379 PolarHBondContact O-ND1 3.27Å; H379-T382 HydrophobicContact CB-CG2 4.45Å; H379-T382 WeakPolarHBondContact ND1-CG2 3.32Å; H379-T382 PolarHBondContact O-N 3.36Å; H379-T382 PolarHBondContact O-OG1 2.92Å; H379-T384 HydrophobicContact CB-CG2 4.16Å; H379-T384 PolarHBondContact N-OG1 2.91Å; H379-T384 VanDerWaalsContact N-OG1 3.12Å; H379-T384 PolarHBondContact O-OG1 3.27Å | ||
| 380 | G | 84.7 | Confident | 89.8 | Confident | 6 Ų | 6 | 60.4 Ų | 60.4 | 6% | 0.062 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 137.7 | -166.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | T382 | G380-T382 WeakPolarHBondContact O-CG2 3.5Å; G380-T382 PolarHBondContact O-N 3.21Å; G380-T382 VanDerWaalsContact O-N 3.16Å |
| 381 | F | 81.6 | Confident | 90.5 | Very high | 196 Ų | 196 | 58.4 Ų | 58.4 | 86% | 0.86 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59 | 19.5 | 177.1 | -49.6 | -79 | 0 | 0 | 0 | 115.5 | W366 | W366-F381 HydrophobicContact CH2-CD2 4.24Å; W366-F381 AromaticContact CH2-CE2 3.75Å; W366-F381 HydrophobicContact CH2-CE2 3.75Å; W366-F381 HydrophobicContact CH2-CZ 4.34Å; W366-F381 HydrophobicContact CZ3-CE2 4.08Å; W366-F381 HydrophobicContact CZ3-CZ 4.21Å |
| 382 | T | 86.4 | Confident | 91.7 | Very high | 43 Ų | 43 | 53.2 Ų | 53.2 | 26% | 0.264 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -106.4 | -166 | 175.7 | 76.5 | 0 | 0 | 0 | 0 | 112.4 | L341 H379 G380 T384 | L341-T382 HydrophobicContact CD2-CG2 4.02Å; H379-T382 HydrophobicContact CB-CG2 4.45Å; H379-T382 WeakPolarHBondContact ND1-CG2 3.32Å; H379-T382 PolarHBondContact O-N 3.36Å; H379-T382 PolarHBondContact O-OG1 2.92Å; G380-T382 WeakPolarHBondContact O-CG2 3.5Å; G380-T382 PolarHBondContact O-N 3.21Å; G380-T382 VanDerWaalsContact O-N 3.16Å; T382-T384 WeakPolarHBondContact OG1-CG2 3.49Å; T382-T384 PolarHBondContact OG1-N 3.39Å; T382-T384 PolarHBondContact OG1-OG1 3.01Å |
| 383 | M | 86 | Confident | 92.8 | Very high | 157 Ų | 157 | 47.5 Ų | 47.5 | 77% | 0.773 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -106.1 | 19.8 | 173.8 | -56.3 | -179.4 | 66.9 | 0 | 0 | 112.4 | L341 T342 | L341-M383 WeakPolarHBondContact O-CA 3.48Å; L341-M383 PolarHBondContact O-N 2.96Å; T342-M383 HydrophobicContact CG2-CB 4.32Å |
| 384 | T | 90.2 | Very high | 93.4 | Very high | 11 Ų | 11 | 48.7 Ų | 48.7 | 7% | 0.067 | 24% | 0.243 | C | C | . | . | P | Polyproline II helix | trans | -71.1 | 146.3 | 175.3 | 56.2 | 0 | 0 | 0 | 0 | 111.5 | L336 G343 T378 H379 T382 | L336-T384 HydrophobicContact CD2-CG2 3.69Å; G343-T384 VanDerWaalsContact O-CA 3.28Å; G343-T384 WeakPolarHBondContact O-CA 3.42Å; G343-T384 WeakPolarHBondContact O-CB 3.24Å; G343-T384 WeakPolarHBondContact O-CG2 3.19Å; T378-T384 PolarHBondContact OG1-O 3.14Å; T378-T384 VanDerWaalsContact OG1-O 3.08Å; T378-T384 PolarHBondContact OG1-OG1 3.04Å; H379-T384 HydrophobicContact CB-CG2 4.16Å; H379-T384 PolarHBondContact N-OG1 2.91Å; H379-T384 VanDerWaalsContact N-OG1 3.12Å; H379-T384 PolarHBondContact O-OG1 3.27Å; T382-T384 WeakPolarHBondContact OG1-CG2 3.49Å; T382-T384 PolarHBondContact OG1-N 3.39Å; T382-T384 PolarHBondContact OG1-OG1 3.01Å |
| 385 | T | 94.3 | Very high | 93.7 | Very high | 71 Ų | 71 | 45.1 Ų | 45.1 | 44% | 0.436 | 23% | 0.226 | S | C | . | . | P | Polyproline II helix | trans | -68.1 | 152.9 | -179.8 | 56.6 | 0 | 0 | 0 | 0 | 111.9 | S345 T378 | S345-T385 WeakPolarHBondContact CB-O 3.03Å; S345-T385 PolarHBondContact N-OG1 3.27Å; S345-T385 PolarHBondContact O-OG1 2.8Å; S345-T385 PolarHBondContact OG-O 3.3Å; T378-T385 PolarHBondContact OG1-O 2.87Å |
| 386 | E | 94.9 | Very high | 93.9 | Very high | 94 Ų | 94 | 45 Ų | 45 | 44% | 0.439 | 23% | 0.226 | S | C | . | . | P | Polyproline II helix | trans | -93.2 | 136.2 | 177.2 | -58.4 | 177.1 | 163.9 | 0 | 0 | 109.4 | K369 Y376 T378 | K369-E386 IonicContact NZ-OE1 2.71Å; K369-E386 PolarHBondContact NZ-OE1 3.31Å; K369-E386 IonicContact NZ-OE2 2.62Å; K369-E386 PolarHBondContact NZ-OE2 3.3Å; Y376-E386 HydrophobicContact CD2-CB 3.7Å; Y376-E386 HydrophobicContact CD2-CG 3.69Å; Y376-E386 HydrophobicContact CE2-CB 4.07Å; Y376-E386 HydrophobicContact CE2-CG 3.5Å; Y376-E386 VanDerWaalsContact CE2-CG 3.5Å; Y376-E386 VanDerWaalsContact CE2-OE1 3.28Å; Y376-E386 WeakPolarHBondContact CE2-OE1 3.4Å; Y376-E386 HydrophobicContact CG-CB 4.24Å; Y376-E386 VanDerWaalsContact CZ-OE1 3.24Å; Y376-E386 PolarHBondContact OH-OE1 3.27Å; T378-E386 HydrophobicContact CG2-CG 4.28Å |
| 387 | I | 96.8 | Very high | 94 | Very high | 15 Ų | 15 | 45.2 Ų | 45.2 | 8% | 0.077 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 144.9 | 173.8 | 58.3 | 177 | 0 | 0 | 0 | 111.1 | S345 V347 Y350 Y376 I377 V392 | S345-I387 WeakPolarHBondContact O-CG2 3.16Å; V347-I387 HydrophobicContact CG2-CB 4.1Å; V347-I387 HydrophobicContact CG2-CD1 4.14Å; V347-I387 HydrophobicContact CG2-CG2 4.42Å; Y350-I387 HydrophobicContact CE2-CD1 4.24Å; Y376-I387 CarbonylContact C-O 3.59Å; Y376-I387 VanDerWaalsContact CA-O 3.27Å; Y376-I387 WeakPolarHBondContact CA-O 3.42Å; Y376-I387 WeakPolarHBondContact CB-O 3.24Å; I377-I387 HydrophobicContact CB-CG1 4Å; I377-I387 HydrophobicContact CG2-CG1 4.44Å; I377-I387 PolarHBondContact N-O 2.79Å; I377-I387 PolarHBondContact O-N 2.89Å; I387-V392 HydrophobicContact CD1-CG2 3.65Å; I387-V392 HydrophobicContact CG1-CG2 4.2Å |
| 388 | P | 96.9 | Very high | 93.9 | Very high | 56 Ų | 56 | 46 Ų | 46 | 36% | 0.364 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 137.9 | -178 | -20.1 | 32.5 | 0 | 0 | 0 | 112.3 | K390 D391 V392 | P388-K390 VanDerWaalsContact C-N 3.33Å; P388-K390 PolarHBondContact O-N 3.12Å; P388-D391 HydrophobicContact CB-CB 4.24Å; P388-V392 PolarHBondContact O-N 3.08Å |
| 389 | F | 97.3 | Very high | 94 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.8 | -40.3 | 176.8 | 175 | -93.9 | 0 | 0 | 0 | 111.8 | L363 P375 I377 D391 V392 I393 F412 M425 Y428 | L363-F389 HydrophobicContact CD2-CE2 4.23Å; P375-F389 HydrophobicContact CB-CB 3.94Å; P375-F389 HydrophobicContact CB-CG 4.37Å; P375-F389 WeakPolarHBondContact O-CB 3.3Å; P375-F389 PolarHBondContact O-N 2.91Å; I377-F389 HydrophobicContact CD1-CD2 3.95Å; I377-F389 HydrophobicContact CG1-CD2 4.28Å; F389-D391 PolarHBondContact O-N 3.29Å; F389-V392 PolarHBondContact O-N 2.96Å; F389-I393 HydrophobicContact CD1-CG1 4.01Å; F389-I393 HydrophobicContact CE1-CD1 4.15Å; F389-I393 HydrophobicContact CE1-CG1 3.51Å; F389-I393 HydrophobicContact CE2-CD1 4.09Å; F389-I393 HydrophobicContact CE2-CG1 4.11Å; F389-I393 HydrophobicContact CZ-CD1 3.67Å; F389-I393 HydrophobicContact CZ-CG1 3.56Å; F389-I393 WeakPolarHBondContact O-CG1 3.46Å; F389-I393 PolarHBondContact O-N 3.38Å; F389-F412 HydrophobicContact CE2-CD1 4.49Å; F389-F412 AromaticContact CE2-CE1 3.55Å; F389-F412 HydrophobicContact CE2-CE1 3.55Å; F389-F412 HydrophobicContact CE2-CZ 4.02Å; F389-F412 AromaticContact CZ-CE1 3.67Å; F389-F412 HydrophobicContact CZ-CE1 3.67Å; F389-F412 AromaticContact CZ-CZ 3.93Å; F389-F412 HydrophobicContact CZ-CZ 3.93Å; F389-M425 HydrophobicContact CD1-CB 4.46Å; F389-M425 HydrophobicContact CD1-CG 4.05Å; F389-M425 HydrophobicContact CD2-CE 4.33Å; F389-M425 HydrophobicContact CE1-CB 3.82Å; F389-M425 HydrophobicContact CE1-CG 3.88Å; F389-M425 HydrophobicContact CE2-CE 3.85Å; F389-M425 HydrophobicContact CG-CG 4.44Å; F389-M425 HydrophobicContact CZ-CB 4.02Å; F389-M425 HydrophobicContact CZ-CE 4.06Å; F389-M425 HydrophobicContact CZ-CG 4.14Å; F389-Y428 AromaticContact CD1-CD2 3.99Å; F389-Y428 HydrophobicContact CD1-CD2 3.99Å; F389-Y428 HydrophobicContact CE1-CD2 4.32Å |
| 390 | K | 96.5 | Very high | 94.3 | Very high | 75 Ų | 75 | 44.3 Ų | 44.3 | 33% | 0.326 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -57.2 | -51.2 | 179.8 | -175.2 | 179.1 | -177.7 | -79.8 | 0 | 111.9 | P388 V392 I393 E394 Y428 I432 | P388-K390 VanDerWaalsContact C-N 3.33Å; P388-K390 PolarHBondContact O-N 3.12Å; K390-V392 VanDerWaalsContact C-N 3.25Å; K390-V392 PolarHBondContact O-N 3.31Å; K390-I393 PolarHBondContact O-N 3.11Å; K390-I393 VanDerWaalsContact O-N 3.08Å; K390-E394 WeakPolarHBondContact CE-OE1 3.18Å; K390-E394 IonicContact NZ-OE1 2.73Å; K390-E394 PolarHBondContact NZ-OE1 3.33Å; K390-E394 PolarHBondContact O-N 3.49Å; K390-Y428 HydrophobicContact CB-CD2 4.29Å; K390-Y428 HydrophobicContact CB-CE2 4.05Å; K390-Y428 HydrophobicContact CD-CD1 4.37Å; K390-Y428 HydrophobicContact CD-CE1 3.74Å; K390-Y428 HydrophobicContact CD-CE2 4.47Å; K390-Y428 HydrophobicContact CG-CD1 4.27Å; K390-Y428 HydrophobicContact CG-CE1 4.1Å; K390-Y428 HydrophobicContact CG-CE2 4.44Å; K390-I432 HydrophobicContact CG-CD1 4.14Å |
| 391 | D | 96.6 | Very high | 95 | Very high | 72 Ų | 72 | 46.9 Ų | 46.9 | 39% | 0.385 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59 | -36.4 | -179.9 | -59.9 | 25.9 | 0 | 0 | 0 | 112.1 | V347 P388 F389 A395 | V347-D391 HydrophobicContact CG1-CB 4.22Å; V347-D391 WeakPolarHBondContact CG1-O 3.43Å; V347-D391 HydrophobicContact CG2-CB 3.96Å; P388-D391 HydrophobicContact CB-CB 4.24Å; F389-D391 PolarHBondContact O-N 3.29Å; D391-A395 VanDerWaalsContact O-CB 3.3Å; D391-A395 WeakPolarHBondContact O-CB 3.4Å; D391-A395 PolarHBondContact O-N 3.23Å |
| 392 | V | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.9 | -44.9 | 174 | 168.9 | 0 | 0 | 0 | 0 | 111.4 | V347 Y350 L363 I377 I387 P388 F389 K390 E394 A395 I396 | V347-V392 HydrophobicContact CG1-CG2 4.47Å; V347-V392 HydrophobicContact CG2-CG2 4.03Å; Y350-V392 HydrophobicContact CD1-CG1 4.18Å; Y350-V392 HydrophobicContact CD2-CB 4.33Å; Y350-V392 HydrophobicContact CD2-CG1 3.65Å; Y350-V392 HydrophobicContact CD2-CG2 3.88Å; Y350-V392 HydrophobicContact CE1-CG1 3.99Å; Y350-V392 HydrophobicContact CE2-CB 4.17Å; Y350-V392 HydrophobicContact CE2-CG1 3.42Å; Y350-V392 VanDerWaalsContact CE2-CG1 3.42Å; Y350-V392 HydrophobicContact CE2-CG2 3.6Å; Y350-V392 HydrophobicContact CG-CG1 4.01Å; L363-V392 HydrophobicContact CD2-CG1 3.9Å; I377-V392 HydrophobicContact CD1-CB 3.97Å; I377-V392 HydrophobicContact CD1-CG1 3.84Å; I377-V392 HydrophobicContact CD1-CG2 3.97Å; I387-V392 HydrophobicContact CD1-CG2 3.65Å; I387-V392 HydrophobicContact CG1-CG2 4.2Å; P388-V392 PolarHBondContact O-N 3.08Å; F389-V392 PolarHBondContact O-N 2.96Å; K390-V392 VanDerWaalsContact C-N 3.25Å; K390-V392 PolarHBondContact O-N 3.31Å; V392-E394 PolarHBondContact O-N 3.13Å; V392-A395 PolarHBondContact O-N 3.26Å; V392-I396 HydrophobicContact CG1-CD1 3.71Å; V392-I396 HydrophobicContact CG1-CG1 4.42Å; V392-I396 WeakPolarHBondContact O-CD1 3.03Å; V392-I396 VanDerWaalsContact O-CG1 3.24Å; V392-I396 WeakPolarHBondContact O-CG1 3.36Å; V392-I396 PolarHBondContact O-N 2.85Å |
| 393 | I | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.5 | -40.2 | 176.6 | -64.6 | -61.1 | 0 | 0 | 0 | 111.3 | L363 F389 K390 I396 A397 I432 F433 | L363-I393 HydrophobicContact CD2-CD1 4.05Å; F389-I393 HydrophobicContact CD1-CG1 4.01Å; F389-I393 HydrophobicContact CE1-CD1 4.15Å; F389-I393 HydrophobicContact CE1-CG1 3.51Å; F389-I393 HydrophobicContact CE2-CD1 4.09Å; F389-I393 HydrophobicContact CE2-CG1 4.11Å; F389-I393 HydrophobicContact CZ-CD1 3.67Å; F389-I393 HydrophobicContact CZ-CG1 3.56Å; F389-I393 WeakPolarHBondContact O-CG1 3.46Å; F389-I393 PolarHBondContact O-N 3.38Å; K390-I393 PolarHBondContact O-N 3.11Å; K390-I393 VanDerWaalsContact O-N 3.08Å; I393-I396 PolarHBondContact O-N 2.85Å; I393-A397 WeakPolarHBondContact O-CB 3.15Å; I393-A397 PolarHBondContact O-N 3.04Å; I393-I432 HydrophobicContact CB-CD1 4.23Å; I393-I432 HydrophobicContact CG2-CB 3.78Å; I393-I432 HydrophobicContact CG2-CD1 3.74Å; I393-I432 HydrophobicContact CG2-CG1 4.36Å; I393-I432 HydrophobicContact CG2-CG2 3.86Å; I393-F433 HydrophobicContact CB-CZ 4.41Å; I393-F433 HydrophobicContact CD1-CE2 4Å; I393-F433 HydrophobicContact CD1-CZ 3.75Å; I393-F433 HydrophobicContact CG2-CD1 4.43Å; I393-F433 HydrophobicContact CG2-CD2 4.46Å; I393-F433 HydrophobicContact CG2-CE1 3.91Å; I393-F433 HydrophobicContact CG2-CE2 3.97Å; I393-F433 HydrophobicContact CG2-CZ 3.67Å; I393-F433 WeakPolarHBondContact O-CE1 3.45Å |
| 394 | E | 97.3 | Very high | 96.5 | Very high | 77 Ų | 77 | 32.3 Ų | 32.3 | 36% | 0.36 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -64.6 | -39.8 | 173.6 | -68.3 | -176.3 | -171.3 | 0 | 0 | 112.6 | K390 V392 A397 E398 I432 | K390-E394 WeakPolarHBondContact CE-OE1 3.18Å; K390-E394 IonicContact NZ-OE1 2.73Å; K390-E394 PolarHBondContact NZ-OE1 3.33Å; K390-E394 PolarHBondContact O-N 3.49Å; V392-E394 PolarHBondContact O-N 3.13Å; E394-A397 PolarHBondContact O-N 3.34Å; E394-E398 PolarHBondContact O-N 3.28Å; E394-I432 HydrophobicContact CB-CG2 4.42Å; E394-I432 HydrophobicContact CG-CD1 3.95Å; E394-I432 HydrophobicContact CG-CG1 4.38Å; E394-I432 HydrophobicContact CG-CG2 3.82Å |
| 395 | A | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.7 | -38.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | V347 R351 D391 V392 T399 | V347-A395 HydrophobicContact CG1-CB 3.57Å; R351-A395 HydrophobicContact CG-CB 3.99Å; R351-A395 VanDerWaalsContact CZ-CB 3.49Å; D391-A395 VanDerWaalsContact O-CB 3.3Å; D391-A395 WeakPolarHBondContact O-CB 3.4Å; D391-A395 PolarHBondContact O-N 3.23Å; V392-A395 PolarHBondContact O-N 3.26Å; A395-T399 PolarHBondContact O-N 3.09Å; A395-T399 PolarHBondContact O-OG1 3.09Å |
| 396 | I | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.5 | -46.1 | 173.3 | -67.6 | 164 | 0 | 0 | 0 | 109.7 | Y350 L354 I361 L363 V392 I393 E398 T399 A400 L410 F433 | Y350-I396 HydrophobicContact CD1-CD1 4.1Å; Y350-I396 HydrophobicContact CD1-CG1 4.22Å; Y350-I396 HydrophobicContact CE1-CD1 4.44Å; Y350-I396 HydrophobicContact CG-CG1 4.44Å; L354-I396 HydrophobicContact CD1-CB 4.28Å; L354-I396 HydrophobicContact CD1-CG1 4.14Å; L354-I396 HydrophobicContact CD1-CG2 4.16Å; I361-I396 HydrophobicContact CD1-CD1 3.63Å; I361-I396 HydrophobicContact CD1-CG1 3.74Å; I361-I396 HydrophobicContact CD1-CG2 4.34Å; L363-I396 HydrophobicContact CD2-CD1 4.03Å; V392-I396 HydrophobicContact CG1-CD1 3.71Å; V392-I396 HydrophobicContact CG1-CG1 4.42Å; V392-I396 WeakPolarHBondContact O-CD1 3.03Å; V392-I396 VanDerWaalsContact O-CG1 3.24Å; V392-I396 WeakPolarHBondContact O-CG1 3.36Å; V392-I396 PolarHBondContact O-N 2.85Å; I393-I396 PolarHBondContact O-N 2.85Å; I396-E398 VanDerWaalsContact C-N 3.27Å; I396-E398 PolarHBondContact O-N 3.48Å; I396-T399 PolarHBondContact O-N 3.11Å; I396-T399 VanDerWaalsContact O-N 3.15Å; I396-A400 HydrophobicContact CG2-CB 4.43Å; I396-A400 WeakPolarHBondContact O-CB 3.44Å; I396-A400 PolarHBondContact O-N 3.11Å; I396-L410 HydrophobicContact CD1-CD2 4.25Å; I396-L410 HydrophobicContact CG2-CD2 4.18Å; I396-F433 HydrophobicContact CB-CE1 4.07Å; I396-F433 HydrophobicContact CB-CZ 4.3Å; I396-F433 HydrophobicContact CG2-CE1 3.73Å; I396-F433 HydrophobicContact CG2-CZ 3.91Å |
| 397 | A | 97.6 | Very high | 97.3 | Very high | 40 Ų | 40 | 28 Ų | 28 | 33% | 0.331 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -60.1 | -35.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | I393 E394 I432 F433 | I393-A397 WeakPolarHBondContact O-CB 3.15Å; I393-A397 PolarHBondContact O-N 3.04Å; E394-A397 PolarHBondContact O-N 3.34Å; A397-I432 HydrophobicContact CB-CG2 3.86Å; A397-F433 HydrophobicContact CB-CD1 3.75Å; A397-F433 HydrophobicContact CB-CE1 3.98Å |
| 398 | E | 95.8 | Very high | 97.4 | Very high | 17 Ų | 17 | 27.2 Ų | 27.2 | 8% | 0.079 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.8 | -40.3 | 174.8 | -172.8 | -161.2 | 146 | 0 | 0 | 113.2 | R76 F80 R351 E394 I396 K402 | R76-E398 VanDerWaalsContact CD-OE1 3.29Å; R76-E398 WeakPolarHBondContact CD-OE1 3.41Å; R76-E398 WeakPolarHBondContact CG-OE1 3.47Å; R76-E398 IonicContact NE-OE1 2.73Å; R76-E398 PolarHBondContact NE-OE1 3.14Å; F80-E398 HydrophobicContact CB-CG 4.17Å; F80-E398 HydrophobicContact CD1-CB 3.82Å; F80-E398 HydrophobicContact CD1-CG 3.48Å; F80-E398 VanDerWaalsContact CD1-CG 3.48Å; F80-E398 WeakPolarHBondContact CD1-OE2 3.14Å; F80-E398 HydrophobicContact CD2-CG 3.99Å; F80-E398 HydrophobicContact CE1-CB 3.59Å; F80-E398 HydrophobicContact CE1-CG 3.67Å; F80-E398 HydrophobicContact CE2-CG 4.15Å; F80-E398 HydrophobicContact CG-CB 4.46Å; F80-E398 HydrophobicContact CG-CG 3.63Å; F80-E398 HydrophobicContact CZ-CB 4.04Å; F80-E398 HydrophobicContact CZ-CG 3.98Å; R351-E398 IonicContact CZ-OE2 3.26Å; R351-E398 IonicContact NE-OE1 2.65Å; R351-E398 IonicContact NE-OE2 3.41Å; R351-E398 PolarHBondContact NE-OE2 2.97Å; R351-E398 IonicContact NH2-OE2 2.72Å; R351-E398 PolarHBondContact NH2-OE2 3.18Å; E394-E398 PolarHBondContact O-N 3.28Å; I396-E398 VanDerWaalsContact C-N 3.27Å; I396-E398 PolarHBondContact O-N 3.48Å; E398-K402 WeakPolarHBondContact O-CE 3.47Å; E398-K402 IonicContact OE1-NZ 3.86Å; E398-K402 PolarHBondContact OE1-NZ 2.92Å |
| 399 | T | 97.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -115.3 | -14.3 | -161 | 56.9 | 0 | 0 | 0 | 0 | 115.3 | R351 L354 A395 I396 F401 K402 | R351-T399 HydrophobicContact CB-CG2 3.85Å; R351-T399 HydrophobicContact CG-CG2 3.66Å; L354-T399 WeakPolarHBondContact CD1-OG1 3.42Å; A395-T399 PolarHBondContact O-N 3.09Å; A395-T399 PolarHBondContact O-OG1 3.09Å; I396-T399 PolarHBondContact O-N 3.11Å; I396-T399 VanDerWaalsContact O-N 3.15Å; T399-F401 PolarHBondContact O-N 3.45Å; T399-K402 HydrophobicContact CG2-CD 4.24Å; T399-K402 PolarHBondContact O-N 3.23Å |
| 400 | A | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | -41.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | R359 I396 V408 I463 | R359-A400 VanDerWaalsContact CZ-O 3.24Å; R359-A400 PolarHBondContact NH1-O 3.02Å; R359-A400 PolarHBondContact NH2-O 2.86Å; I396-A400 HydrophobicContact CG2-CB 4.43Å; I396-A400 WeakPolarHBondContact O-CB 3.44Å; I396-A400 PolarHBondContact O-N 3.11Å; A400-V408 HydrophobicContact CB-CG2 4.05Å; A400-I463 HydrophobicContact CB-CD1 4.46Å |
| 401 | F | 97.8 | Very high | 97.6 | Very high | 61 Ų | 61 | 21 Ų | 21 | 27% | 0.268 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | 8.9 | -173.8 | -52.4 | -64.4 | 0 | 0 | 0 | 115.2 | T399 S404 V408 A436 G461 I463 | T399-F401 PolarHBondContact O-N 3.45Å; F401-S404 WeakPolarHBondContact CA-O 3.26Å; F401-V408 HydrophobicContact CE1-CG2 4.13Å; F401-A436 HydrophobicContact CE2-CB 4.2Å; F401-G461 WeakPolarHBondContact CE2-O 3.13Å; F401-G461 WeakPolarHBondContact CZ-O 3.42Å; F401-I463 HydrophobicContact CE2-CD1 4.18Å; F401-I463 HydrophobicContact CE2-CG1 3.97Å; F401-I463 HydrophobicContact CZ-CD1 4.41Å; F401-I463 HydrophobicContact CZ-CG1 3.73Å |
| 402 | K | 96 | Very high | 97.6 | Very high | 61 Ų | 61 | 17.6 Ų | 17.6 | 27% | 0.265 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -47.9 | 176.7 | -76.4 | -169.6 | -171.1 | 179.7 | 0 | 112.5 | D74 T75 F137 L355 E398 T399 | D74-K402 IonicContact OD1-NZ 2.82Å; D74-K402 PolarHBondContact OD1-NZ 2.97Å; D74-K402 IonicContact OD2-NZ 2.68Å; D74-K402 PolarHBondContact OD2-NZ 3.35Å; T75-K402 PolarHBondContact O-NZ 3.24Å; T75-K402 VanDerWaalsContact O-NZ 3.16Å; F137-K402 HydrophobicContact CE1-CB 4.21Å; F137-K402 HydrophobicContact CE2-CD 4.46Å; F137-K402 HydrophobicContact CZ-CB 3.85Å; F137-K402 HydrophobicContact CZ-CD 4.38Å; L355-K402 HydrophobicContact CD2-CB 3.95Å; L355-K402 HydrophobicContact CD2-CD 4.15Å; E398-K402 WeakPolarHBondContact O-CE 3.47Å; E398-K402 IonicContact OE1-NZ 3.86Å; E398-K402 PolarHBondContact OE1-NZ 2.92Å; T399-K402 HydrophobicContact CG2-CD 4.24Å; T399-K402 PolarHBondContact O-N 3.23Å |
| 403 | A | 94 | Very high | 97.5 | Very high | 25 Ų | 25 | 18.2 Ų | 18.2 | 21% | 0.207 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -94.2 | -20.5 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | L355 | L355-A403 WeakPolarHBondContact O-CB 3.02Š|
| 404 | S | 97.1 | Very high | 97.2 | Very high | 3 Ų | 3 | 18.2 Ų | 18.2 | 2% | 0.021 | 10% | 0.1 | C | C | . | . | trans | -156.5 | 133.4 | 178.9 | 169.8 | 0 | 0 | 0 | 0 | 109.9 | R359 F401 Y406 S666 | R359-S404 PolarHBondContact NH1-O 3.27Å; F401-S404 WeakPolarHBondContact CA-O 3.26Å; S404-Y406 VanDerWaalsContact C-N 3.26Å; S404-Y406 PolarHBondContact O-N 3.31Å; S404-Y406 PolarHBondContact OG-N 3.16Å; S404-S666 WeakPolarHBondContact CB-O 3.49Å; S404-S666 WeakPolarHBondContact OG-CA 3.46Å; S404-S666 PolarHBondContact OG-O 3.39Å | ||
| 405 | P | 97.4 | Very high | 97 | Very high | 72 Ų | 72 | 15.3 Ų | 15.3 | 47% | 0.468 | 9% | 0.087 | S | C | . | . | trans | -80.2 | -6.9 | 178.2 | 35.7 | -37.8 | 0 | 0 | 0 | 113.2 | L460 G461 | P405-L460 HydrophobicContact CB-CD2 4Å; P405-L460 HydrophobicContact CG-CD2 4.03Å; P405-G461 PolarHBondContact O-N 3.45Å | ||
| 406 | Y | 98.6 | Very high | 96.7 | Very high | 13 Ų | 13 | 15.3 Ų | 15.3 | 5% | 0.051 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -75.4 | 152 | -176.5 | -71.4 | -72.7 | 0 | 0 | 0 | 112.3 | L315 M319 R359 S404 P456 Q457 L460 Y668 | L315-Y406 HydrophobicContact CD1-CE2 3.87Å; L315-Y406 HydrophobicContact CD2-CE2 4.46Å; L315-Y406 WeakPolarHBondContact CD2-OH 3.39Å; M319-Y406 HydrophobicContact CB-CE1 3.99Å; M319-Y406 HydrophobicContact CE-CD1 3.62Å; M319-Y406 HydrophobicContact CE-CD2 4.02Å; M319-Y406 HydrophobicContact CE-CE1 3.5Å; M319-Y406 HydrophobicContact CE-CE2 3.9Å; M319-Y406 HydrophobicContact CE-CG 3.89Å; M319-Y406 HydrophobicContact CG-CE1 4.12Å; R359-Y406 PolarHBondContact NH1-O 3.05Å; S404-Y406 VanDerWaalsContact C-N 3.26Å; S404-Y406 PolarHBondContact O-N 3.31Å; S404-Y406 PolarHBondContact OG-N 3.16Å; Y406-P456 HydrophobicContact CD1-CB 3.69Å; Y406-P456 HydrophobicContact CE1-CB 4.18Å; Y406-Q457 PolarHBondContact OH-OE1 3.16Å; Y406-L460 HydrophobicContact CD1-CD2 3.65Å; Y406-L460 HydrophobicContact CE1-CD2 3.57Å; Y406-L460 HydrophobicContact CE1-CG 4.38Å; Y406-L460 HydrophobicContact CG-CD2 4.19Å; Y406-Y668 HydrophobicContact CG-CD2 4.27Å |
| 407 | P | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -55.4 | 152.4 | -166.7 | 18.5 | -33.8 | 0 | 0 | 0 | 115 | R359 P456 L459 K462 L464 Y668 | R359-P407 WeakPolarHBondContact CD-O 3.45Å; P407-P456 WeakPolarHBondContact CD-O 3.33Å; P407-L459 HydrophobicContact CB-CB 3.92Å; P407-L459 WeakPolarHBondContact CB-O 3.49Å; P407-L459 WeakPolarHBondContact CD-O 3.44Å; P407-L459 HydrophobicContact CG-CB 3.68Å; P407-L459 HydrophobicContact CG-CD1 4.46Å; P407-K462 CarbonylContact C-O 3.47Å; P407-K462 WeakPolarHBondContact CA-O 3.48Å; P407-K462 WeakPolarHBondContact CB-O 3.4Å; P407-L464 HydrophobicContact CB-CD1 3.68Å; P407-Y668 HydrophobicContact CG-CE2 4.35Å; P407-Y668 PolarHBondContact O-OH 3.34Å | ||
| 408 | V | 98.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 131.5 | 176.7 | 178.3 | 0 | 0 | 0 | 0 | 110.2 | L354 R359 I361 A400 F401 L410 K462 I463 L464 | L354-V408 HydrophobicContact CD2-CG1 4.01Å; L354-V408 HydrophobicContact CD2-CG2 4.28Å; R359-V408 CarbonylContact O-C 3.58Å; R359-V408 WeakPolarHBondContact O-CA 3.12Å; I361-V408 HydrophobicContact CG1-CG1 4.38Å; A400-V408 HydrophobicContact CB-CG2 4.05Å; F401-V408 HydrophobicContact CE1-CG2 4.13Å; V408-L410 HydrophobicContact CG1-CD2 3.93Å; V408-K462 PolarHBondContact N-O 2.91Å; V408-I463 CarbonylContact O-C 3.44Å; V408-I463 WeakPolarHBondContact O-CA 3.37Å; V408-L464 PolarHBondContact O-N 3.24Å |
| 409 | I | 98.9 | Very high | 95.7 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 124.4 | 177.1 | -58.8 | 171.8 | 0 | 0 | 0 | 108.9 | L323 I328 R359 C360 I361 K466 I567 M641 | L323-I409 HydrophobicContact CD2-CD1 4.49Å; I328-I409 HydrophobicContact CD1-CD1 4.33Å; R359-I409 PolarHBondContact O-N 3.41Å; C360-I409 WeakPolarHBondContact CA-O 3.47Å; C360-I409 HydrophobicContact CB-CB 4.29Å; I361-I409 PolarHBondContact N-O 3.5Å; I409-K466 HydrophobicContact CG2-CB 4.41Å; I409-I567 HydrophobicContact CD1-CD1 4.12Å; I409-I567 HydrophobicContact CG2-CG2 4.19Å; I409-M641 HydrophobicContact CD1-SD 3.71Å; I409-M641 HydrophobicContact CG2-SD 4.32Å |
| 410 | L | 98.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 108.6 | 174.2 | -54.5 | -170.3 | 0 | 0 | 0 | 109.5 | I361 L363 I396 V408 F412 F433 I463 L464 I465 K466 | I361-L410 HydrophobicContact CD1-CD2 3.52Å; I361-L410 HydrophobicContact CG1-CD2 3.52Å; L363-L410 HydrophobicContact CD1-CB 3.99Å; L363-L410 HydrophobicContact CD1-CD2 4.28Å; I396-L410 HydrophobicContact CD1-CD2 4.25Å; I396-L410 HydrophobicContact CG2-CD2 4.18Å; V408-L410 HydrophobicContact CG1-CD2 3.93Å; L410-F412 HydrophobicContact CB-CD2 4.04Å; L410-F412 HydrophobicContact CB-CE2 3.69Å; L410-F412 HydrophobicContact CD1-CE2 4.16Å; L410-F412 PolarHBondContact O-N 2.83Å; L410-F433 HydrophobicContact CD1-CE2 3.69Å; L410-F433 HydrophobicContact CD1-CZ 3.68Å; L410-I463 HydrophobicContact CD1-CG2 3.64Å; L410-I463 HydrophobicContact CD2-CG2 4.38Å; L410-I463 HydrophobicContact CG-CG2 3.71Å; L410-L464 PolarHBondContact N-O 3.2Å; L410-I465 HydrophobicContact CB-CD1 4.21Å; L410-I465 HydrophobicContact CD1-CD1 3.87Å; L410-I465 HydrophobicContact CG-CD1 4.33Å; L410-K466 PolarHBondContact O-N 2.84Å |
| 411 | S | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 97.6 | 172.1 | -178.5 | 0 | 0 | 0 | 0 | 109.4 | I361 E362 L363 K466 | I361-S411 WeakPolarHBondContact O-CB 3.33Å; I361-S411 PolarHBondContact O-N 2.84Å; E362-S411 CarbonylContact C-O 3.6Å; E362-S411 WeakPolarHBondContact CA-O 3.33Å; E362-S411 WeakPolarHBondContact OE1-CB 3.49Å; E362-S411 PolarHBondContact OE1-OG 3.06Å; L363-S411 PolarHBondContact N-O 2.85Å; S411-K466 VanDerWaalsContact OG-CD 3.32Å; S411-K466 WeakPolarHBondContact OG-CD 3.41Å; S411-K466 PolarHBondContact OG-NZ 3.09Å |
| 412 | F | 97.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 133.1 | 170 | -75.8 | -117 | 0 | 0 | 0 | 108.9 | L363 F389 L410 M425 I465 K466 N467 M560 | L363-F412 HydrophobicContact CD2-CZ 4.48Å; F389-F412 HydrophobicContact CE2-CD1 4.49Å; F389-F412 AromaticContact CE2-CE1 3.55Å; F389-F412 HydrophobicContact CE2-CE1 3.55Å; F389-F412 HydrophobicContact CE2-CZ 4.02Å; F389-F412 AromaticContact CZ-CE1 3.67Å; F389-F412 HydrophobicContact CZ-CE1 3.67Å; F389-F412 AromaticContact CZ-CZ 3.93Å; F389-F412 HydrophobicContact CZ-CZ 3.93Å; L410-F412 HydrophobicContact CB-CD2 4.04Å; L410-F412 HydrophobicContact CB-CE2 3.69Å; L410-F412 HydrophobicContact CD1-CE2 4.16Å; L410-F412 PolarHBondContact O-N 2.83Å; F412-M425 HydrophobicContact CD1-CE 3.86Å; F412-M425 HydrophobicContact CE1-CE 3.71Å; F412-I465 HydrophobicContact CD2-CG2 3.87Å; F412-I465 HydrophobicContact CE2-CD1 3.91Å; F412-I465 HydrophobicContact CE2-CG2 3.93Å; F412-K466 WeakPolarHBondContact CB-O 3.29Å; F412-K466 PolarHBondContact N-O 3.4Å; F412-K466 PolarHBondContact O-NZ 3.2Å; F412-N467 HydrophobicContact CB-CB 4.13Å; F412-M560 HydrophobicContact CD1-CE 3.87Å; F412-M560 HydrophobicContact CE1-CE 3.7Å; F412-M560 HydrophobicContact CZ-CE 4.27Å |
| 413 | E | 94.6 | Very high | 94.8 | Very high | 12 Ų | 12 | 24.5 Ų | 24.5 | 6% | 0.056 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 103.9 | 158.9 | -166.5 | -176.3 | 112.9 | 0 | 0 | 106.7 | L363 C365 H415 T549 A550 E553 | L363-E413 PolarHBondContact O-N 2.84Å; C365-E413 PolarHBondContact N-O 3.19Å; E413-H415 IonicContact OE1-CD2 2.65Å; E413-H415 IonicContact OE1-CE1 3.72Å; E413-H415 IonicContact OE1-NE2 2.71Å; E413-H415 PolarHBondContact OE1-NE2 2.68Å; E413-T549 VanDerWaalsContact OE1-C 3.22Å; E413-T549 WeakPolarHBondContact OE1-CB 3.38Å; E413-T549 PolarHBondContact OE1-OG1 3.18Å; E413-A550 VanDerWaalsContact CD-CA 3.41Å; E413-A550 PolarHBondContact OE1-N 2.94Å; E413-A550 VanDerWaalsContact OE1-N 3.14Å; E413-A550 WeakPolarHBondContact OE2-CA 3.13Å; E413-A550 WeakPolarHBondContact OE2-CB 3.24Å; E413-A550 PolarHBondContact OE2-N 3.3Å; E413-E553 HydrophobicContact CG-CG 3.61Å |
| 414 | N | 93.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 109.5 | -163 | -177.8 | 17.3 | 0 | 0 | 0 | 112.7 | V416 Q422 E553 V554 | N414-V416 PolarHBondContact OD1-N 3.15Å; N414-V416 VanDerWaalsContact OD1-N 3.15Å; N414-Q422 PolarHBondContact ND2-NE2 3.32Å; N414-Q422 PolarHBondContact ND2-OE1 3.03Å; N414-E553 CarbonylContact O-C 3.54Å; N414-E553 WeakPolarHBondContact O-CA 3.47Å; N414-V554 PolarHBondContact O-N 2.97Å |
| 415 | H | 92.4 | Very high | 94.8 | Very high | 16 Ų | 16 | 25.3 Ų | 25.3 | 7% | 0.074 | 14% | 0.14 | C | C | . | . | trans | -110.7 | 12.3 | 175.4 | -58.9 | -72.6 | 0 | 0 | 0 | 113.3 | C365 W366 E413 D417 T549 | C365-H415 CarbonylContact O-C 3.55Å; C365-H415 WeakPolarHBondContact O-CA 3.29Å; C365-H415 WeakPolarHBondContact O-CB 3.33Å; C365-H415 PolarHBondContact O-N 3.49Å; W366-H415 HydrophobicContact CD2-CB 3.79Å; W366-H415 AromaticContact CE2-CD2 3.45Å; W366-H415 VanDerWaalsContact CE2-CD2 3.45Å; W366-H415 AromaticContact CE2-CG 3.85Å; W366-H415 HydrophobicContact CE3-CB 3.62Å; W366-H415 HydrophobicContact CG-CB 4.49Å; W366-H415 HydrophobicContact CH2-CB 3.85Å; W366-H415 AromaticContact CH2-CD2 3.69Å; W366-H415 AromaticContact CH2-CG 3.49Å; W366-H415 VanDerWaalsContact CH2-CG 3.49Å; W366-H415 AromaticContact CH2-ND1 3.82Å; W366-H415 HydrophobicContact CZ2-CB 4.01Å; W366-H415 AromaticContact CZ2-CD2 3.17Å; W366-H415 WeakPolarHBondContact CZ2-CD2 3.49Å; W366-H415 AromaticContact CZ2-CG 3.48Å; W366-H415 VanDerWaalsContact CZ2-CG 3.48Å; W366-H415 AromaticContact CZ2-NE2 3.6Å; W366-H415 HydrophobicContact CZ3-CB 3.67Å; W366-H415 AromaticContact CZ3-CG 3.86Å; W366-H415 AromaticContact NE1-CD2 3.91Å; E413-H415 IonicContact OE1-CD2 2.65Å; E413-H415 IonicContact OE1-CE1 3.72Å; E413-H415 IonicContact OE1-NE2 2.71Å; E413-H415 PolarHBondContact OE1-NE2 2.68Å; H415-D417 PolarHBondContact O-N 3.04Å; H415-T549 PolarHBondContact CE1-O 3.39Å | ||
| 416 | V | 92.3 | Very high | 94.7 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.117 | C | C | . | . | trans | -81.8 | 98.7 | -179.6 | -176.8 | 0 | 0 | 0 | 0 | 110.1 | C365 K367 N414 S418 Q421 Q422 M425 | C365-V416 HydrophobicContact CB-CG2 4.16Å; C365-V416 WeakPolarHBondContact O-CG2 3.29Å; K367-V416 HydrophobicContact CB-CG1 4.45Å; N414-V416 PolarHBondContact OD1-N 3.15Å; N414-V416 VanDerWaalsContact OD1-N 3.15Å; V416-S418 VanDerWaalsContact C-N 3.32Å; V416-S418 PolarHBondContact O-N 2.94Å; V416-Q421 HydrophobicContact CG1-CB 3.45Å; V416-Q421 VanDerWaalsContact CG1-CB 3.45Å; V416-Q422 HydrophobicContact CB-CG 4Å; V416-Q422 HydrophobicContact CG1-CG 3.96Å; V416-Q422 WeakPolarHBondContact O-CG 3.45Å; V416-Q422 PolarHBondContact O-NE2 3.25Å; V416-M425 HydrophobicContact CB-SD 4.15Å; V416-M425 HydrophobicContact CG1-SD 4.37Å; V416-M425 HydrophobicContact CG2-SD 3.62Å | ||
| 417 | D | 88.6 | Confident | 94.6 | Very high | 87 Ų | 87 | 27 Ų | 27 | 47% | 0.465 | 14% | 0.142 | S | C | . | . | trans | -78.4 | -10.1 | -179.5 | 63.9 | 13 | 0 | 0 | 0 | 115.2 | K367 H415 P419 V554 | K367-D417 WeakPolarHBondContact CD-OD1 3.34Å; K367-D417 VanDerWaalsContact NZ-CG 3.29Å; K367-D417 IonicContact NZ-OD1 2.71Å; K367-D417 PolarHBondContact NZ-OD1 3.33Å; K367-D417 VanDerWaalsContact NZ-OD1 3.17Å; K367-D417 IonicContact NZ-OD2 2.9Å; K367-D417 PolarHBondContact NZ-OD2 3.41Å; H415-D417 PolarHBondContact O-N 3.04Å; D417-P419 WeakPolarHBondContact O-CD 3.47Å; D417-V554 HydrophobicContact CB-CG1 4.45Å; D417-V554 HydrophobicContact CB-CG2 4.46Å | ||
| 418 | S | 90.4 | Very high | 94.5 | Very high | 33 Ų | 33 | 28.7 Ų | 28.7 | 23% | 0.231 | 15% | 0.148 | C | C | . | . | trans | -89.3 | 118.5 | 176.9 | 175 | 0 | 0 | 0 | 0 | 111.8 | V416 K420 Q421 Q422 | V416-S418 VanDerWaalsContact C-N 3.32Å; V416-S418 PolarHBondContact O-N 2.94Å; S418-K420 VanDerWaalsContact C-N 3.27Å; S418-K420 PolarHBondContact O-N 3.03Å; S418-Q421 PolarHBondContact O-N 2.96Å; S418-Q422 PolarHBondContact O-N 3.28Å | ||
| 419 | P | 90.6 | Very high | 94.5 | Very high | 80 Ų | 80 | 28.7 Ų | 28.7 | 52% | 0.519 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -59.9 | -35.9 | 177.1 | -26.9 | 36.5 | 0 | 0 | 0 | 113.7 | D417 Q421 Q422 A423 T557 | D417-P419 WeakPolarHBondContact O-CD 3.47Å; P419-Q421 VanDerWaalsContact C-N 3.27Å; P419-Q421 PolarHBondContact O-N 3.44Å; P419-Q422 PolarHBondContact O-N 2.93Å; P419-A423 WeakPolarHBondContact O-CB 3.13Å; P419-A423 PolarHBondContact O-N 3.07Å; P419-T557 HydrophobicContact CB-CG2 3.83Å; P419-T557 HydrophobicContact CG-CG2 4.28Å |
| 420 | K | 91.6 | Very high | 94.4 | Very high | 133 Ų | 133 | 32.7 Ų | 32.7 | 58% | 0.578 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -58.5 | -39.1 | 175.1 | -179.4 | -177.1 | 169.5 | -160.3 | 0 | 111.6 | E373 S418 K424 | E373-K420 IonicContact OE1-NZ 3.31Å; E373-K420 PolarHBondContact OE1-NZ 3.34Å; E373-K420 VanDerWaalsContact OE2-CD 3.3Å; E373-K420 WeakPolarHBondContact OE2-CD 3.36Å; E373-K420 WeakPolarHBondContact OE2-CE 3.47Å; E373-K420 IonicContact OE2-NZ 3.01Å; E373-K420 PolarHBondContact OE2-NZ 2.59Å; S418-K420 VanDerWaalsContact C-N 3.27Å; S418-K420 PolarHBondContact O-N 3.03Å; K420-K424 WeakPolarHBondContact O-CB 3.25Å; K420-K424 PolarHBondContact O-N 3.15Å; K420-K424 VanDerWaalsContact O-N 3.15Å |
| 421 | Q | 92.3 | Very high | 94.4 | Very high | 8 Ų | 8 | 37.8 Ų | 37.8 | 4% | 0.037 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -79.4 | -35.9 | 178.3 | -70.5 | -177.5 | 9 | 0 | 0 | 112.5 | G368 E373 P375 V416 S418 P419 K424 M425 | G368-Q421 PolarHBondContact O-NE2 2.7Å; E373-Q421 HydrophobicContact CB-CG 4.49Å; P375-Q421 HydrophobicContact CG-CB 4.27Å; V416-Q421 HydrophobicContact CG1-CB 3.45Å; V416-Q421 VanDerWaalsContact CG1-CB 3.45Å; S418-Q421 PolarHBondContact O-N 2.96Å; P419-Q421 VanDerWaalsContact C-N 3.27Å; P419-Q421 PolarHBondContact O-N 3.44Å; Q421-K424 WeakPolarHBondContact O-CB 3.44Å; Q421-K424 PolarHBondContact O-N 3.42Å; Q421-M425 WeakPolarHBondContact O-CG 3.18Å; Q421-M425 PolarHBondContact O-N 3.31Å |
| 422 | Q | 93.4 | Very high | 94.3 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 1% | 0.014 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.9 | -40.6 | 170.7 | -72.7 | -161.7 | 38.2 | 0 | 0 | 112 | N414 V416 S418 P419 K424 M425 A426 S555 T557 M560 | N414-Q422 PolarHBondContact ND2-NE2 3.32Å; N414-Q422 PolarHBondContact ND2-OE1 3.03Å; V416-Q422 HydrophobicContact CB-CG 4Å; V416-Q422 HydrophobicContact CG1-CG 3.96Å; V416-Q422 WeakPolarHBondContact O-CG 3.45Å; V416-Q422 PolarHBondContact O-NE2 3.25Å; S418-Q422 PolarHBondContact O-N 3.28Å; P419-Q422 PolarHBondContact O-N 2.93Å; Q422-K424 PolarHBondContact O-N 2.54Å; Q422-M425 WeakPolarHBondContact O-CB 3.27Å; Q422-M425 PolarHBondContact O-N 3.17Å; Q422-A426 PolarHBondContact O-N 3.23Å; Q422-S555 PolarHBondContact NE2-O 3.42Å; Q422-S555 VanDerWaalsContact NE2-O 3.09Å; Q422-T557 HydrophobicContact CB-CG2 3.97Å; Q422-T557 HydrophobicContact CG-CG2 4.31Å; Q422-M560 HydrophobicContact CB-CG 4.05Å; Q422-M560 WeakPolarHBondContact O-CG 2.99Å |
| 423 | A | 93.6 | Very high | 94.4 | Very high | 29 Ų | 29 | 40.5 Ų | 40.5 | 24% | 0.24 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.5 | -44.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | P419 M425 A426 E427 E559 | P419-A423 WeakPolarHBondContact O-CB 3.13Å; P419-A423 PolarHBondContact O-N 3.07Å; A423-M425 PolarHBondContact O-N 3.09Å; A423-A426 WeakPolarHBondContact O-CB 3.1Å; A423-A426 PolarHBondContact O-N 3.24Å; A423-A426 VanDerWaalsContact O-N 3.16Å; A423-E427 WeakPolarHBondContact O-CB 3.44Å; A423-E427 PolarHBondContact O-N 2.88Å; A423-E559 HydrophobicContact CB-CB 4.29Å; A423-E559 HydrophobicContact CB-CG 3.86Å |
| 424 | K | 94.8 | Very high | 94.5 | Very high | 45 Ų | 45 | 41.6 Ų | 41.6 | 20% | 0.196 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.7 | -39.2 | 175 | -172 | 175.3 | 178.2 | -178 | 0 | 112.8 | E373 E374 K420 Q421 Q422 E427 Y428 | E373-K424 PolarHBondContact O-NZ 3.04Å; E374-K424 VanDerWaalsContact OE1-CE 3.26Å; E374-K424 WeakPolarHBondContact OE1-CE 3.42Å; E374-K424 IonicContact OE1-NZ 2.77Å; E374-K424 PolarHBondContact OE1-NZ 2.92Å; E374-K424 WeakPolarHBondContact OE2-CE 3.49Å; E374-K424 IonicContact OE2-NZ 3.2Å; E374-K424 PolarHBondContact OE2-NZ 2.98Å; E374-K424 VanDerWaalsContact OE2-NZ 3.1Å; K420-K424 WeakPolarHBondContact O-CB 3.25Å; K420-K424 PolarHBondContact O-N 3.15Å; K420-K424 VanDerWaalsContact O-N 3.15Å; Q421-K424 WeakPolarHBondContact O-CB 3.44Å; Q421-K424 PolarHBondContact O-N 3.42Å; Q422-K424 PolarHBondContact O-N 2.54Å; K424-E427 PolarHBondContact O-N 2.72Å; K424-Y428 HydrophobicContact CD-CE2 4.4Å; K424-Y428 WeakPolarHBondContact CE-OH 3.29Å; K424-Y428 HydrophobicContact CG-CD2 4.32Å; K424-Y428 HydrophobicContact CG-CE2 3.83Å; K424-Y428 WeakPolarHBondContact O-CD2 3.45Å; K424-Y428 PolarHBondContact O-N 3.24Å |
| 425 | M | 96.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 171.4 | -68.3 | 166.4 | 62.5 | 0 | 0 | 112 | C365 P375 F389 F412 V416 Q421 Q422 A423 E427 Y428 C429 M560 | C365-M425 HydrophobicContact CB-CE 3.5Å; C365-M425 HydrophobicContact CB-SD 4.34Å; C365-M425 VanDerWaalsContact SG-CE 3.57Å; P375-M425 HydrophobicContact CB-CG 3.94Å; P375-M425 HydrophobicContact CB-SD 4.23Å; P375-M425 HydrophobicContact CG-CG 3.72Å; P375-M425 HydrophobicContact CG-SD 4.4Å; F389-M425 HydrophobicContact CD1-CB 4.46Å; F389-M425 HydrophobicContact CD1-CG 4.05Å; F389-M425 HydrophobicContact CD2-CE 4.33Å; F389-M425 HydrophobicContact CE1-CB 3.82Å; F389-M425 HydrophobicContact CE1-CG 3.88Å; F389-M425 HydrophobicContact CE2-CE 3.85Å; F389-M425 HydrophobicContact CG-CG 4.44Å; F389-M425 HydrophobicContact CZ-CB 4.02Å; F389-M425 HydrophobicContact CZ-CE 4.06Å; F389-M425 HydrophobicContact CZ-CG 4.14Å; F412-M425 HydrophobicContact CD1-CE 3.86Å; F412-M425 HydrophobicContact CE1-CE 3.71Å; V416-M425 HydrophobicContact CB-SD 4.15Å; V416-M425 HydrophobicContact CG1-SD 4.37Å; V416-M425 HydrophobicContact CG2-SD 3.62Å; Q421-M425 WeakPolarHBondContact O-CG 3.18Å; Q421-M425 PolarHBondContact O-N 3.31Å; Q422-M425 WeakPolarHBondContact O-CB 3.27Å; Q422-M425 PolarHBondContact O-N 3.17Å; A423-M425 PolarHBondContact O-N 3.09Å; M425-E427 VanDerWaalsContact C-N 3.34Å; M425-Y428 PolarHBondContact O-N 3.14Å; M425-C429 PolarHBondContact O-N 2.98Å; M425-C429 PolarHBondContact O-SG 3.32Å; M425-M560 HydrophobicContact CB-SD 3.98Å; M425-M560 HydrophobicContact CE-CE 4.39Å |
| 426 | A | 95.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67 | -36.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q422 A423 R430 E559 M560 L563 | Q422-A426 PolarHBondContact O-N 3.23Å; A423-A426 WeakPolarHBondContact O-CB 3.1Å; A423-A426 PolarHBondContact O-N 3.24Å; A423-A426 VanDerWaalsContact O-N 3.16Å; A426-R430 VanDerWaalsContact CB-NH1 3.28Å; A426-R430 WeakPolarHBondContact O-CG 3.38Å; A426-R430 PolarHBondContact O-N 3.07Å; A426-R430 PolarHBondContact O-NH1 2.7Å; A426-E559 HydrophobicContact CB-CB 3.95Å; A426-E559 WeakPolarHBondContact CB-O 3.2Å; A426-M560 HydrophobicContact CB-CG 4.23Å; A426-M560 HydrophobicContact CB-SD 3.6Å; A426-L563 HydrophobicContact CB-CD1 4.03Å |
| 427 | E | 96.3 | Very high | 95.2 | Very high | 120 Ų | 120 | 49.5 Ų | 49.5 | 56% | 0.561 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -64.5 | -47.5 | 172 | -174.7 | 177.5 | -172.2 | 0 | 0 | 111.6 | A423 K424 M425 C429 R430 T431 | A423-E427 WeakPolarHBondContact O-CB 3.44Å; A423-E427 PolarHBondContact O-N 2.88Å; K424-E427 PolarHBondContact O-N 2.72Å; M425-E427 VanDerWaalsContact C-N 3.34Å; E427-C429 VanDerWaalsContact C-N 3.32Å; E427-C429 PolarHBondContact O-N 2.8Å; E427-R430 PolarHBondContact O-N 3.07Å; E427-T431 WeakPolarHBondContact O-CB 3.41Å; E427-T431 PolarHBondContact O-N 3.07Å; E427-T431 PolarHBondContact O-OG1 2.78Å; E427-T431 VanDerWaalsContact O-OG1 3.09Å |
| 428 | Y | 97.6 | Very high | 95.6 | Very high | 36 Ų | 36 | 45.8 Ų | 45.8 | 14% | 0.141 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57 | -43.8 | 173.6 | -73.8 | -34 | 0 | 0 | 0 | 112.2 | E374 F389 K390 K424 M425 I432 | E374-Y428 PolarHBondContact OE1-OH 2.93Å; E374-Y428 PolarHBondContact OE2-OH 2.84Å; F389-Y428 AromaticContact CD1-CD2 3.99Å; F389-Y428 HydrophobicContact CD1-CD2 3.99Å; F389-Y428 HydrophobicContact CE1-CD2 4.32Å; K390-Y428 HydrophobicContact CB-CD2 4.29Å; K390-Y428 HydrophobicContact CB-CE2 4.05Å; K390-Y428 HydrophobicContact CD-CD1 4.37Å; K390-Y428 HydrophobicContact CD-CE1 3.74Å; K390-Y428 HydrophobicContact CD-CE2 4.47Å; K390-Y428 HydrophobicContact CG-CD1 4.27Å; K390-Y428 HydrophobicContact CG-CE1 4.1Å; K390-Y428 HydrophobicContact CG-CE2 4.44Å; K424-Y428 HydrophobicContact CD-CE2 4.4Å; K424-Y428 WeakPolarHBondContact CE-OH 3.29Å; K424-Y428 HydrophobicContact CG-CD2 4.32Å; K424-Y428 HydrophobicContact CG-CE2 3.83Å; K424-Y428 WeakPolarHBondContact O-CD2 3.45Å; K424-Y428 PolarHBondContact O-N 3.24Å; M425-Y428 PolarHBondContact O-N 3.14Å; Y428-I432 HydrophobicContact CD1-CD1 4.19Å; Y428-I432 HydrophobicContact CG-CD1 4.35Å; Y428-I432 VanDerWaalsContact O-CB 3.23Å; Y428-I432 WeakPolarHBondContact O-CB 3.5Å; Y428-I432 WeakPolarHBondContact O-CD1 3.38Å; Y428-I432 VanDerWaalsContact O-CG1 3.27Å; Y428-I432 WeakPolarHBondContact O-CG1 3Å; Y428-I432 PolarHBondContact O-N 3.36Å |
| 429 | C | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.4 | -49.1 | 175.5 | -65.2 | 0 | 0 | 0 | 0 | 111.7 | M425 E427 F433 L437 L563 | M425-C429 PolarHBondContact O-N 2.98Å; M425-C429 PolarHBondContact O-SG 3.32Å; E427-C429 VanDerWaalsContact C-N 3.32Å; E427-C429 PolarHBondContact O-N 2.8Å; C429-F433 HydrophobicContact CB-CD2 4.19Å; C429-F433 HydrophobicContact CB-CE2 4.34Å; C429-F433 VanDerWaalsContact O-CB 3.3Å; C429-F433 WeakPolarHBondContact O-CB 3.44Å; C429-F433 VanDerWaalsContact O-CD2 3.32Å; C429-F433 WeakPolarHBondContact O-CD2 3.36Å; C429-F433 PolarHBondContact O-N 2.92Å; C429-F433 VanDerWaalsContact O-N 3.16Å; C429-L437 HydrophobicContact CB-CD2 4Å; C429-L563 HydrophobicContact CB-CD1 3.99Å |
| 430 | R | 97.3 | Very high | 95.9 | Very high | 84 Ų | 84 | 49 Ų | 49 | 32% | 0.317 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.6 | -48.2 | 179.7 | -70.9 | 177.2 | -172.2 | 98 | 9.3 | 112.3 | A426 E427 G434 L437 I439 E559 L563 | A426-R430 VanDerWaalsContact CB-NH1 3.28Å; A426-R430 WeakPolarHBondContact O-CG 3.38Å; A426-R430 PolarHBondContact O-N 3.07Å; A426-R430 PolarHBondContact O-NH1 2.7Å; E427-R430 PolarHBondContact O-N 3.07Å; R430-G434 WeakPolarHBondContact O-CA 3.45Å; R430-G434 PolarHBondContact O-N 3.25Å; R430-L437 HydrophobicContact CG-CD2 4.02Å; R430-I439 HydrophobicContact CG-CD1 4.14Å; R430-E559 PolarHBondContact NH2-O 3.15Å; R430-L563 HydrophobicContact CG-CD2 4.25Å |
| 431 | T | 97.4 | Very high | 96.1 | Very high | 108 Ų | 108 | 45.1 Ų | 45.1 | 66% | 0.663 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -75.1 | -33 | -172.2 | -59.5 | 0 | 0 | 0 | 0 | 113 | E427 | E427-T431 WeakPolarHBondContact O-CB 3.41Å; E427-T431 PolarHBondContact O-N 3.07Å; E427-T431 PolarHBondContact O-OG1 2.78Å; E427-T431 VanDerWaalsContact O-OG1 3.09Å |
| 432 | I | 97.6 | Very high | 96.3 | Very high | 42 Ų | 42 | 47.1 Ų | 47.1 | 22% | 0.215 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -91.2 | -38.6 | -175.3 | -59.5 | 164.1 | 0 | 0 | 0 | 111.9 | K390 I393 E394 A397 Y428 | K390-I432 HydrophobicContact CG-CD1 4.14Å; I393-I432 HydrophobicContact CB-CD1 4.23Å; I393-I432 HydrophobicContact CG2-CB 3.78Å; I393-I432 HydrophobicContact CG2-CD1 3.74Å; I393-I432 HydrophobicContact CG2-CG1 4.36Å; I393-I432 HydrophobicContact CG2-CG2 3.86Å; E394-I432 HydrophobicContact CB-CG2 4.42Å; E394-I432 HydrophobicContact CG-CD1 3.95Å; E394-I432 HydrophobicContact CG-CG1 4.38Å; E394-I432 HydrophobicContact CG-CG2 3.82Å; A397-I432 HydrophobicContact CB-CG2 3.86Å; Y428-I432 HydrophobicContact CD1-CD1 4.19Å; Y428-I432 HydrophobicContact CG-CD1 4.35Å; Y428-I432 VanDerWaalsContact O-CB 3.23Å; Y428-I432 WeakPolarHBondContact O-CB 3.5Å; Y428-I432 WeakPolarHBondContact O-CD1 3.38Å; Y428-I432 VanDerWaalsContact O-CG1 3.27Å; Y428-I432 WeakPolarHBondContact O-CG1 3Å; Y428-I432 PolarHBondContact O-N 3.36Å |
| 433 | F | 98.1 | Very high | 96.3 | Very high | 14 Ų | 14 | 55.1 Ų | 55.1 | 6% | 0.061 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -83.5 | -27.4 | 176.1 | -61 | -44.1 | 0 | 0 | 0 | 113.1 | I393 I396 A397 L410 C429 D435 A436 L437 I463 | I393-F433 HydrophobicContact CB-CZ 4.41Å; I393-F433 HydrophobicContact CD1-CE2 4Å; I393-F433 HydrophobicContact CD1-CZ 3.75Å; I393-F433 HydrophobicContact CG2-CD1 4.43Å; I393-F433 HydrophobicContact CG2-CD2 4.46Å; I393-F433 HydrophobicContact CG2-CE1 3.91Å; I393-F433 HydrophobicContact CG2-CE2 3.97Å; I393-F433 HydrophobicContact CG2-CZ 3.67Å; I393-F433 WeakPolarHBondContact O-CE1 3.45Å; I396-F433 HydrophobicContact CB-CE1 4.07Å; I396-F433 HydrophobicContact CB-CZ 4.3Å; I396-F433 HydrophobicContact CG2-CE1 3.73Å; I396-F433 HydrophobicContact CG2-CZ 3.91Å; A397-F433 HydrophobicContact CB-CD1 3.75Å; A397-F433 HydrophobicContact CB-CE1 3.98Å; L410-F433 HydrophobicContact CD1-CE2 3.69Å; L410-F433 HydrophobicContact CD1-CZ 3.68Å; C429-F433 HydrophobicContact CB-CD2 4.19Å; C429-F433 HydrophobicContact CB-CE2 4.34Å; C429-F433 VanDerWaalsContact O-CB 3.3Å; C429-F433 WeakPolarHBondContact O-CB 3.44Å; C429-F433 VanDerWaalsContact O-CD2 3.32Å; C429-F433 WeakPolarHBondContact O-CD2 3.36Å; C429-F433 PolarHBondContact O-N 2.92Å; C429-F433 VanDerWaalsContact O-N 3.16Å; F433-D435 PolarHBondContact O-N 3.4Å; F433-A436 HydrophobicContact CB-CB 4.48Å; F433-A436 VanDerWaalsContact O-CB 3.31Å; F433-A436 WeakPolarHBondContact O-CB 3.04Å; F433-A436 PolarHBondContact O-N 3.23Å; F433-A436 VanDerWaalsContact O-N 3.1Å; F433-L437 HydrophobicContact CB-CB 3.93Å; F433-L437 HydrophobicContact CD2-CD1 4.29Å; F433-I463 HydrophobicContact CB-CD1 4.32Å; F433-I463 HydrophobicContact CD1-CD1 3.42Å; F433-I463 VanDerWaalsContact CD1-CD1 3.42Å; F433-I463 HydrophobicContact CD2-CD1 4.32Å; F433-I463 HydrophobicContact CD2-CG2 4.43Å; F433-I463 HydrophobicContact CE1-CD1 3.66Å; F433-I463 HydrophobicContact CE2-CG2 4.21Å; F433-I463 HydrophobicContact CG-CD1 3.79Å; F433-I463 HydrophobicContact CZ-CD1 4.19Å; F433-I463 HydrophobicContact CZ-CG2 4.45Å |
| 434 | G | 97.2 | Very high | 96.4 | Very high | 35 Ų | 35 | 60.1 Ų | 60.1 | 36% | 0.361 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | 52.8 | -132.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | R430 A436 L437 | R430-G434 WeakPolarHBondContact O-CA 3.45Å; R430-G434 PolarHBondContact O-N 3.25Å; G434-A436 PolarHBondContact O-N 3.25Å; G434-L437 WeakPolarHBondContact O-CB 3.41Å; G434-L437 PolarHBondContact O-N 3.08Å |
| 435 | D | 96.4 | Very high | 96.5 | Very high | 151 Ų | 151 | 59.1 Ų | 59.1 | 81% | 0.807 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -60.9 | -14.1 | -179.7 | -58.7 | -32.3 | 0 | 0 | 0 | 114.5 | F433 L437 K462 | F433-D435 PolarHBondContact O-N 3.4Å; D435-L437 VanDerWaalsContact C-N 3.34Å; D435-K462 PolarHBondContact O-NZ 3.45Å |
| 436 | A | 97.8 | Very high | 96.5 | Very high | 24 Ų | 24 | 61.4 Ų | 61.4 | 20% | 0.198 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -73 | -26.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | F401 F433 G434 L438 K462 I463 | F401-A436 HydrophobicContact CE2-CB 4.2Å; F433-A436 HydrophobicContact CB-CB 4.48Å; F433-A436 VanDerWaalsContact O-CB 3.31Å; F433-A436 WeakPolarHBondContact O-CB 3.04Å; F433-A436 PolarHBondContact O-N 3.23Å; F433-A436 VanDerWaalsContact O-N 3.1Å; G434-A436 PolarHBondContact O-N 3.25Å; A436-L438 PolarHBondContact O-N 2.96Å; A436-K462 CarbonylContact O-C 3.49Å; A436-K462 VanDerWaalsContact O-CA 3.31Å; A436-K462 WeakPolarHBondContact O-CA 3.19Å; A436-I463 HydrophobicContact CB-CD1 4.22Å; A436-I463 HydrophobicContact CB-CG1 4.34Å; A436-I463 PolarHBondContact O-N 3.07Å |
| 437 | L | 98.4 | Very high | 96.4 | Very high | 8 Ų | 8 | 63.2 Ų | 63.2 | 4% | 0.042 | 34% | 0.336 | C | S | . | . | B | Isolated β-bridge | trans | -72.9 | 119.9 | 177.2 | -176.5 | 59.8 | 0 | 0 | 0 | 110.5 | C429 R430 F433 G434 D435 I439 I465 L563 | C429-L437 HydrophobicContact CB-CD2 4Å; R430-L437 HydrophobicContact CG-CD2 4.02Å; F433-L437 HydrophobicContact CB-CB 3.93Å; F433-L437 HydrophobicContact CD2-CD1 4.29Å; G434-L437 WeakPolarHBondContact O-CB 3.41Å; G434-L437 PolarHBondContact O-N 3.08Å; D435-L437 VanDerWaalsContact C-N 3.34Å; L437-I439 HydrophobicContact CD2-CD1 4.39Å; L437-I439 HydrophobicContact CD2-CG1 4.03Å; L437-I439 HydrophobicContact CG-CG1 3.92Å; L437-I439 PolarHBondContact O-N 3.24Å; L437-I465 HydrophobicContact CD1-CD1 3.83Å; L437-I465 HydrophobicContact CD1-CG1 3.75Å; L437-L563 HydrophobicContact CD2-CD1 4.32Å; L437-L563 HydrophobicContact CD2-CD2 3.88Å |
| 438 | L | 97.4 | Very high | 96.3 | Very high | 8 Ų | 8 | 63.5 Ų | 63.5 | 4% | 0.042 | 34% | 0.337 | C | S | . | . | trans | -80.6 | 98.7 | 172 | -170.8 | 70.6 | 0 | 0 | 0 | 109.1 | A436 L442 L459 K462 I463 L464 N565 Y566 | A436-L438 PolarHBondContact O-N 2.96Å; L438-L442 HydrophobicContact CD1-CD2 4.09Å; L438-L459 HydrophobicContact CD2-CD2 3.65Å; L438-K462 HydrophobicContact CB-CB 4.39Å; L438-K462 HydrophobicContact CD1-CD 4.42Å; L438-I463 PolarHBondContact N-O 3.49Å; L438-L464 HydrophobicContact CB-CG 4.47Å; L438-L464 HydrophobicContact CD2-CD2 3.79Å; L438-L464 HydrophobicContact CD2-CG 3.96Å; L438-N565 PolarHBondContact O-ND2 3.45Å; L438-Y566 HydrophobicContact CD2-CD2 3.71Å; L438-Y566 HydrophobicContact CD2-CE2 3.86Å | ||
| 439 | I | 93.8 | Very high | 96.1 | Very high | 60 Ų | 60 | 67.4 Ų | 67.4 | 31% | 0.308 | 36% | 0.357 | S | S | . | . | trans | -85.1 | -68.7 | 176.3 | -56.3 | 177.8 | 0 | 0 | 0 | 109 | R430 L437 L563 N565 | R430-I439 HydrophobicContact CG-CD1 4.14Å; L437-I439 HydrophobicContact CD2-CD1 4.39Å; L437-I439 HydrophobicContact CD2-CG1 4.03Å; L437-I439 HydrophobicContact CG-CG1 3.92Å; L437-I439 PolarHBondContact O-N 3.24Å; I439-L563 HydrophobicContact CD1-CD2 4.47Å; I439-L563 HydrophobicContact CG1-CD2 4.03Å; I439-L563 HydrophobicContact CG2-CD2 4.33Å; I439-N565 PolarHBondContact O-ND2 3.34Å | ||
| 440 | D | 93.5 | Very high | 95.8 | Very high | 121 Ų | 121 | 70.6 Ų | 70.6 | 65% | 0.647 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -83.4 | 151.4 | -177.8 | -59.5 | -73.4 | 0 | 0 | 0 | 112.7 | ||
| 441 | P | 95.3 | Very high | 95.7 | Very high | 51 Ų | 51 | 68.1 Ų | 68.1 | 33% | 0.331 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 147 | 171.4 | -17.7 | 32.4 | 0 | 0 | 0 | 111.9 | L447 N565 Y566 | P441-L447 HydrophobicContact CB-CG 4.15Å; P441-L447 HydrophobicContact CG-CD1 3.72Å; P441-L447 HydrophobicContact CG-CD2 4.49Å; P441-L447 HydrophobicContact CG-CG 3.7Å; P441-N565 HydrophobicContact CG-CB 4.49Å; P441-Y566 WeakPolarHBondContact CA-OH 3.38Å; P441-Y566 HydrophobicContact CB-CE2 4.48Å; P441-Y566 WeakPolarHBondContact CB-OH 3.48Å |
| 442 | L | 95.8 | Very high | 95.7 | Very high | 50 Ų | 50 | 65.8 Ų | 65.8 | 26% | 0.262 | 36% | 0.355 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 135.6 | 170.4 | -53.9 | 178.3 | 0 | 0 | 0 | 110.2 | L438 K444 Y445 P454 D458 L459 Y566 | L438-L442 HydrophobicContact CD1-CD2 4.09Å; L442-K444 PolarHBondContact O-N 3.07Å; L442-Y445 HydrophobicContact CB-CD2 4.38Å; L442-Y445 HydrophobicContact CD1-CD2 4.28Å; L442-Y445 CarbonylContact O-C 3.4Å; L442-Y445 PolarHBondContact O-N 2.92Å; L442-P454 HydrophobicContact CD1-CB 4.21Å; L442-P454 HydrophobicContact CD1-CG 4.28Å; L442-D458 HydrophobicContact CD1-CB 4.12Å; L442-L459 HydrophobicContact CD1-CD2 4.03Å; L442-Y566 PolarHBondContact N-OH 2.82Å; L442-Y566 PolarHBondContact O-OH 2.96Å |
| 443 | D | 94.4 | Very high | 95.7 | Very high | 171 Ų | 171 | 64 Ų | 64 | 91% | 0.914 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -32.9 | -178 | -58.1 | -46.7 | 0 | 0 | 0 | 114.2 | Y445 | D443-Y445 PolarHBondContact O-N 3.08Š|
| 444 | K | 95.1 | Very high | 95.7 | Very high | 135 Ų | 135 | 63.3 Ų | 63.3 | 59% | 0.587 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -18.7 | 178.9 | -179.4 | -179.8 | 164.8 | -156.7 | 0 | 113.4 | L442 D458 | L442-K444 PolarHBondContact O-N 3.07Å; K444-D458 IonicContact NZ-OD1 3.49Å; K444-D458 PolarHBondContact NZ-OD1 3.41Å; K444-D458 IonicContact NZ-OD2 2.74Å |
| 445 | Y | 96.6 | Very high | 95.8 | Very high | 24 Ų | 24 | 61.8 Ų | 61.8 | 9% | 0.094 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -139.3 | 66.7 | -171.5 | -58.6 | -77.4 | 0 | 0 | 0 | 111.1 | L442 D443 P452 P454 D458 Y566 | L442-Y445 HydrophobicContact CB-CD2 4.38Å; L442-Y445 HydrophobicContact CD1-CD2 4.28Å; L442-Y445 CarbonylContact O-C 3.4Å; L442-Y445 PolarHBondContact O-N 2.92Å; D443-Y445 PolarHBondContact O-N 3.08Å; Y445-P452 HydrophobicContact CD1-CG 4.28Å; Y445-P452 WeakPolarHBondContact CD1-O 3.41Å; Y445-P452 HydrophobicContact CE1-CG 4.16Å; Y445-P454 HydrophobicContact CD2-CB 3.71Å; Y445-P454 HydrophobicContact CD2-CG 3.72Å; Y445-P454 HydrophobicContact CE2-CB 3.79Å; Y445-P454 HydrophobicContact CE2-CG 4.32Å; Y445-P454 HydrophobicContact CG-CB 4.19Å; Y445-P454 HydrophobicContact CG-CG 3.84Å; Y445-D458 HydrophobicContact CE2-CB 4.18Å; Y445-D458 PolarHBondContact OH-OD2 3.36Å; Y445-Y566 WeakPolarHBondContact CB-OH 3.46Å; Y445-Y566 VanDerWaalsContact O-CE1 3.24Å; Y445-Y566 WeakPolarHBondContact O-CE1 3.45Å; Y445-Y566 PolarHBondContact O-OH 3.03Å |
| 446 | P | 96.5 | Very high | 95.9 | Very high | 47 Ų | 47 | 54.6 Ų | 54.6 | 31% | 0.305 | 29% | 0.288 | S | S | . | . | trans | -60.7 | 155 | 176.8 | 27.3 | -36.2 | 0 | 0 | 0 | 112.1 | E448 T451 | P446-E448 HydrophobicContact CB-CG 4.15Å; P446-E448 HydrophobicContact CG-CG 4.45Å; P446-E448 PolarHBondContact O-N 3.04Å; P446-T451 HydrophobicContact CG-CG2 4.37Å; P446-T451 VanDerWaalsContact O-CG2 3.32Å; P446-T451 WeakPolarHBondContact O-CG2 3.07Å | ||
| 447 | L | 94.6 | Very high | 95.9 | Very high | 39 Ų | 39 | 57.4 Ų | 57.4 | 20% | 0.204 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -79.5 | 56.4 | -179.5 | -60.4 | -179.3 | 0 | 0 | 0 | 112.1 | P441 N565 Y566 Y585 | P441-L447 HydrophobicContact CB-CG 4.15Å; P441-L447 HydrophobicContact CG-CD1 3.72Å; P441-L447 HydrophobicContact CG-CD2 4.49Å; P441-L447 HydrophobicContact CG-CG 3.7Å; L447-N565 HydrophobicContact CD1-CB 4.12Å; L447-N565 HydrophobicContact CD2-CB 4.49Å; L447-Y566 HydrophobicContact CD2-CD1 3.76Å; L447-Y566 HydrophobicContact CD2-CE1 3.75Å; L447-Y566 HydrophobicContact CD2-CG 4.45Å; L447-Y585 VanDerWaalsContact C-CE1 3.46Å; L447-Y585 HydrophobicContact CB-CD1 4.23Å; L447-Y585 HydrophobicContact CB-CE1 4.13Å; L447-Y585 HydrophobicContact CD2-CD1 4.18Å; L447-Y585 HydrophobicContact CD2-CD2 4.38Å; L447-Y585 HydrophobicContact CD2-CG 3.92Å; L447-Y585 WeakPolarHBondContact O-CE1 3.36Å; L447-Y585 PolarHBondContact O-OH 2.83Å |
| 448 | E | 93.9 | Very high | 95.9 | Very high | 125 Ų | 125 | 59.6 Ų | 59.6 | 58% | 0.584 | 31% | 0.309 | S | S | * | . | trans | -109.6 | 179.8 | -175.9 | -70.5 | -180 | -156.7 | 0 | 0 | 112.1 | P446 | P446-E448 HydrophobicContact CB-CG 4.15Å; P446-E448 HydrophobicContact CG-CG 4.45Å; P446-E448 PolarHBondContact O-N 3.04Å | ||
| 449 | Q | 92.1 | Very high | 95.9 | Very high | 119 Ų | 119 | 59.2 Ų | 59.2 | 56% | 0.556 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -75.1 | 148.7 | 174.9 | -64.1 | -176.8 | 37.6 | 0 | 0 | 111.1 | T451 R582 R583 | Q449-T451 PolarHBondContact O-N 3.39Å; Q449-R582 HydrophobicContact CB-CB 4.44Å; Q449-R583 HydrophobicContact CG-CG 4.4Å |
| 450 | D | 92.6 | Very high | 96.1 | Very high | 66 Ų | 66 | 59.4 Ų | 59.4 | 35% | 0.353 | 31% | 0.308 | S | S | . | . | S | Bend | trans | 56.3 | -8.5 | -178.3 | -77.5 | -52.6 | 0 | 0 | 0 | 116.7 | R582 H584 K612 | D450-R582 PolarHBondContact N-O 3.37Å; D450-R582 WeakPolarHBondContact OD2-CD 3.25Å; D450-R582 IonicContact OD2-CZ 3.56Å; D450-R582 IonicContact OD2-NE 3.98Å; D450-R582 IonicContact OD2-NH1 3.77Å; D450-R582 PolarHBondContact OD2-NH1 2.91Å; D450-H584 VanDerWaalsContact C-CE1 3.48Å; D450-H584 PolarHBondContact O-CE1 3.02Å; D450-H584 PolarHBondContact O-ND1 3.09Å; D450-K612 IonicContact OD1-NZ 2.71Å; D450-K612 PolarHBondContact OD1-NZ 3.21Å |
| 451 | T | 96.1 | Very high | 96.3 | Very high | 32 Ų | 32 | 55 Ų | 55 | 20% | 0.196 | 29% | 0.291 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 125 | 171.5 | -61.4 | 0 | 0 | 0 | 0 | 110.6 | P446 Q449 H584 | P446-T451 HydrophobicContact CG-CG2 4.37Å; P446-T451 VanDerWaalsContact O-CG2 3.32Å; P446-T451 WeakPolarHBondContact O-CG2 3.07Å; Q449-T451 PolarHBondContact O-N 3.39Å; T451-H584 VanDerWaalsContact C-ND1 3.35Å; T451-H584 WeakPolarHBondContact O-CB 3.32Å; T451-H584 PolarHBondContact O-ND1 3.45Å |
| 452 | P | 95.8 | Very high | 96.5 | Very high | 60 Ų | 60 | 55.4 Ų | 55.4 | 39% | 0.39 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -70 | 159.4 | -179.6 | 29.3 | -35.6 | 0 | 0 | 0 | 112.4 | P322 Y445 | P322-P452 HydrophobicContact CB-CB 4.44Å; P322-P452 HydrophobicContact CG-CB 4.08Å; Y445-P452 HydrophobicContact CD1-CG 4.28Å; Y445-P452 WeakPolarHBondContact CD1-O 3.41Å; Y445-P452 HydrophobicContact CE1-CG 4.16Å |
| 453 | L | 98 | Very high | 96.6 | Very high | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 146.5 | 166.6 | -69.5 | 171.3 | 0 | 0 | 0 | 110.5 | P322 L323 A324 Y566 H584 L614 | P322-L453 WeakPolarHBondContact CA-O 3.09Å; P322-L453 HydrophobicContact CB-CB 4.45Å; P322-L453 WeakPolarHBondContact CB-O 3.23Å; L323-L453 HydrophobicContact CB-CB 4.08Å; L323-L453 HydrophobicContact CB-CD1 4.23Å; A324-L453 HydrophobicContact CB-CD1 4.06Å; L453-Y566 HydrophobicContact CD2-CD1 4.22Å; L453-Y566 WeakPolarHBondContact CD2-O 3.47Å; L453-H584 HydrophobicContact CG-CB 4.39Å; L453-L614 HydrophobicContact CD1-CD1 4.02Å; L453-L614 HydrophobicContact CD1-CD2 4.36Å; L453-L614 HydrophobicContact CD1-CG 3.8Å |
| 454 | P | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -57.4 | 161.5 | 169.2 | -18.8 | 28.8 | 0 | 0 | 0 | 112.1 | L323 L442 Y445 D458 L459 Y566 | L323-P454 WeakPolarHBondContact CB-O 3.46Å; L323-P454 PolarHBondContact N-O 2.82Å; L442-P454 HydrophobicContact CD1-CB 4.21Å; L442-P454 HydrophobicContact CD1-CG 4.28Å; Y445-P454 HydrophobicContact CD2-CB 3.71Å; Y445-P454 HydrophobicContact CD2-CG 3.72Å; Y445-P454 HydrophobicContact CE2-CB 3.79Å; Y445-P454 HydrophobicContact CE2-CG 4.32Å; Y445-P454 HydrophobicContact CG-CB 4.19Å; Y445-P454 HydrophobicContact CG-CG 3.84Å; P454-D458 HydrophobicContact CB-CB 4.09Å; P454-L459 HydrophobicContact CB-CD1 3.87Å; P454-L459 HydrophobicContact CB-CD2 4.32Å; P454-L459 HydrophobicContact CB-CG 3.88Å; P454-L459 HydrophobicContact CG-CD1 4.33Å; P454-Y566 VanDerWaalsContact CD-CD1 3.46Å; P454-Y566 HydrophobicContact CG-CD1 3.91Å; P454-Y566 HydrophobicContact CG-CD2 4.05Å; P454-Y566 HydrophobicContact CG-CE1 3.62Å; P454-Y566 HydrophobicContact CG-CE2 3.77Å; P454-Y566 HydrophobicContact CG-CG 4.11Å |
| 455 | S | 98.4 | Very high | 97 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.014 | 20% | 0.204 | C | C | . | . | P | Polyproline II helix | trans | -81.7 | 160.9 | 173.5 | 72.5 | 0 | 0 | 0 | 0 | 112.9 | M319 T320 H321 Q457 D458 L459 | M319-S455 WeakPolarHBondContact O-CB 3.31Å; T320-S455 VanDerWaalsContact O-CB 3.29Å; T320-S455 WeakPolarHBondContact O-CB 3.25Å; H321-S455 WeakPolarHBondContact O-CA 3.44Å; H321-S455 WeakPolarHBondContact O-CB 3.41Å; S455-Q457 PolarHBondContact O-N 2.86Å; S455-Q457 PolarHBondContact OG-N 3.05Å; S455-D458 VanDerWaalsContact CB-OD2 3.27Å; S455-D458 WeakPolarHBondContact CB-OD2 3.33Å; S455-D458 PolarHBondContact N-OD2 3.09Å; S455-D458 PolarHBondContact O-N 2.87Å; S455-D458 VanDerWaalsContact O-N 3.17Å; S455-D458 VanDerWaalsContact OG-CG 3.29Å; S455-D458 PolarHBondContact OG-N 2.96Å; S455-D458 PolarHBondContact OG-OD2 3.44Å; S455-L459 WeakPolarHBondContact O-CG 3.09Å; S455-L459 PolarHBondContact O-N 2.68Å |
| 456 | P | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -33.9 | 165.8 | -26.5 | 34.8 | 0 | 0 | 0 | 113 | M319 H321 L323 Y326 Y406 P407 L459 L460 Y668 | M319-P456 HydrophobicContact CE-CB 3.83Å; M319-P456 HydrophobicContact CE-CG 4.31Å; M319-P456 WeakPolarHBondContact O-CD 3.35Å; H321-P456 WeakPolarHBondContact O-CD 3.44Å; L323-P456 HydrophobicContact CD1-CG 4.07Å; Y326-P456 HydrophobicContact CD2-CG 3.72Å; Y326-P456 HydrophobicContact CE1-CG 4.36Å; Y326-P456 VanDerWaalsContact CE2-CD 3.42Å; Y326-P456 HydrophobicContact CE2-CG 3.52Å; Y326-P456 HydrophobicContact CG-CG 4.25Å; Y406-P456 HydrophobicContact CD1-CB 3.69Å; Y406-P456 HydrophobicContact CE1-CB 4.18Å; P407-P456 WeakPolarHBondContact CD-O 3.33Å; P456-L459 CarbonylContact O-C 3.6Å; P456-L459 PolarHBondContact O-N 2.76Å; P456-L460 PolarHBondContact O-N 2.84Å; P456-Y668 HydrophobicContact CG-CD1 4.17Å; P456-Y668 HydrophobicContact CG-CE1 4.37Å |
| 457 | Q | 98.1 | Very high | 97 | Very high | 84 Ų | 84 | 35.6 Ų | 35.6 | 39% | 0.393 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -37.7 | 177.2 | -170.2 | 68.9 | 16.3 | 0 | 0 | 113.3 | M319 T320 Y406 S455 L459 | M319-Q457 HydrophobicContact CB-CB 4.39Å; M319-Q457 VanDerWaalsContact O-CB 3.25Å; M319-Q457 WeakPolarHBondContact O-CB 3.44Å; M319-Q457 PolarHBondContact O-N 3.41Å; M319-Q457 VanDerWaalsContact O-N 3.09Å; T320-Q457 HydrophobicContact CG2-CB 4.32Å; T320-Q457 HydrophobicContact CG2-CG 4.4Å; Y406-Q457 PolarHBondContact OH-OE1 3.16Å; S455-Q457 PolarHBondContact O-N 2.86Å; S455-Q457 PolarHBondContact OG-N 3.05Å; Q457-L459 PolarHBondContact O-N 2.99Å |
| 458 | D | 98.2 | Very high | 96.8 | Very high | 53 Ų | 53 | 36.8 Ų | 36.8 | 28% | 0.283 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -15.7 | 173.7 | -62.3 | -79.7 | 0 | 0 | 0 | 112.4 | L442 K444 Y445 P454 S455 | L442-D458 HydrophobicContact CD1-CB 4.12Å; K444-D458 IonicContact NZ-OD1 3.49Å; K444-D458 PolarHBondContact NZ-OD1 3.41Å; K444-D458 IonicContact NZ-OD2 2.74Å; Y445-D458 HydrophobicContact CE2-CB 4.18Å; Y445-D458 PolarHBondContact OH-OD2 3.36Å; P454-D458 HydrophobicContact CB-CB 4.09Å; S455-D458 VanDerWaalsContact CB-OD2 3.27Å; S455-D458 WeakPolarHBondContact CB-OD2 3.33Å; S455-D458 PolarHBondContact N-OD2 3.09Å; S455-D458 PolarHBondContact O-N 2.87Å; S455-D458 VanDerWaalsContact O-N 3.17Å; S455-D458 VanDerWaalsContact OG-CG 3.29Å; S455-D458 PolarHBondContact OG-N 2.96Å; S455-D458 PolarHBondContact OG-OD2 3.44Å |
| 459 | L | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | 19.1 | -172 | -68.7 | 175.5 | 0 | 0 | 0 | 113.5 | P407 L438 L442 P454 S455 P456 Q457 G461 K462 L464 | P407-L459 HydrophobicContact CB-CB 3.92Å; P407-L459 WeakPolarHBondContact CB-O 3.49Å; P407-L459 WeakPolarHBondContact CD-O 3.44Å; P407-L459 HydrophobicContact CG-CB 3.68Å; P407-L459 HydrophobicContact CG-CD1 4.46Å; L438-L459 HydrophobicContact CD2-CD2 3.65Å; L442-L459 HydrophobicContact CD1-CD2 4.03Å; P454-L459 HydrophobicContact CB-CD1 3.87Å; P454-L459 HydrophobicContact CB-CD2 4.32Å; P454-L459 HydrophobicContact CB-CG 3.88Å; P454-L459 HydrophobicContact CG-CD1 4.33Å; S455-L459 WeakPolarHBondContact O-CG 3.09Å; S455-L459 PolarHBondContact O-N 2.68Å; P456-L459 CarbonylContact O-C 3.6Å; P456-L459 PolarHBondContact O-N 2.76Å; Q457-L459 PolarHBondContact O-N 2.99Å; L459-G461 PolarHBondContact O-N 2.98Å; L459-K462 WeakPolarHBondContact O-CB 3.48Å; L459-K462 PolarHBondContact O-N 2.9Å; L459-K462 VanDerWaalsContact O-N 3.09Å; L459-L464 HydrophobicContact CD1-CD1 4.44Å; L459-L464 HydrophobicContact CD1-CD2 4.21Å |
| 460 | L | 98.1 | Very high | 95.9 | Very high | 65 Ų | 65 | 33.8 Ų | 33.8 | 34% | 0.34 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | 133.7 | 176 | -76.5 | 170.1 | 0 | 0 | 0 | 111.9 | P405 Y406 P456 K462 | P405-L460 HydrophobicContact CB-CD2 4Å; P405-L460 HydrophobicContact CG-CD2 4.03Å; Y406-L460 HydrophobicContact CD1-CD2 3.65Å; Y406-L460 HydrophobicContact CE1-CD2 3.57Å; Y406-L460 HydrophobicContact CE1-CG 4.38Å; Y406-L460 HydrophobicContact CG-CD2 4.19Å; P456-L460 PolarHBondContact O-N 2.84Å; L460-K462 PolarHBondContact O-N 2.88Å |
| 461 | G | 97.9 | Very high | 94.3 | Very high | 27 Ų | 27 | 36.6 Ų | 36.6 | 28% | 0.278 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | 12.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | F401 P405 L459 | F401-G461 WeakPolarHBondContact CE2-O 3.13Å; F401-G461 WeakPolarHBondContact CZ-O 3.42Å; P405-G461 PolarHBondContact O-N 3.45Å; L459-G461 PolarHBondContact O-N 2.98Å |
| 462 | K | 98.6 | Very high | 92 | Very high | 61 Ų | 61 | 42.3 Ų | 42.3 | 27% | 0.265 | 22% | 0.22 | S | C | . | . | trans | -102.3 | 143.9 | -177.5 | -60.7 | -61.7 | 179.3 | 174.7 | 0 | 114.4 | P407 V408 D435 A436 L438 L459 L460 | P407-K462 CarbonylContact C-O 3.47Å; P407-K462 WeakPolarHBondContact CA-O 3.48Å; P407-K462 WeakPolarHBondContact CB-O 3.4Å; V408-K462 PolarHBondContact N-O 2.91Å; D435-K462 PolarHBondContact O-NZ 3.45Å; A436-K462 CarbonylContact O-C 3.49Å; A436-K462 VanDerWaalsContact O-CA 3.31Å; A436-K462 WeakPolarHBondContact O-CA 3.19Å; L438-K462 HydrophobicContact CB-CB 4.39Å; L438-K462 HydrophobicContact CD1-CD 4.42Å; L459-K462 WeakPolarHBondContact O-CB 3.48Å; L459-K462 PolarHBondContact O-N 2.9Å; L459-K462 VanDerWaalsContact O-N 3.09Å; L460-K462 PolarHBondContact O-N 2.88Å | ||
| 463 | I | 98.8 | Very high | 89.1 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 125 | 175.3 | -58 | 179.8 | 0 | 0 | 0 | 107.7 | A400 F401 V408 L410 F433 A436 L438 | A400-I463 HydrophobicContact CB-CD1 4.46Å; F401-I463 HydrophobicContact CE2-CD1 4.18Å; F401-I463 HydrophobicContact CE2-CG1 3.97Å; F401-I463 HydrophobicContact CZ-CD1 4.41Å; F401-I463 HydrophobicContact CZ-CG1 3.73Å; V408-I463 CarbonylContact O-C 3.44Å; V408-I463 WeakPolarHBondContact O-CA 3.37Å; L410-I463 HydrophobicContact CD1-CG2 3.64Å; L410-I463 HydrophobicContact CD2-CG2 4.38Å; L410-I463 HydrophobicContact CG-CG2 3.71Å; F433-I463 HydrophobicContact CB-CD1 4.32Å; F433-I463 HydrophobicContact CD1-CD1 3.42Å; F433-I463 VanDerWaalsContact CD1-CD1 3.42Å; F433-I463 HydrophobicContact CD2-CD1 4.32Å; F433-I463 HydrophobicContact CD2-CG2 4.43Å; F433-I463 HydrophobicContact CE1-CD1 3.66Å; F433-I463 HydrophobicContact CE2-CG2 4.21Å; F433-I463 HydrophobicContact CG-CD1 3.79Å; F433-I463 HydrophobicContact CZ-CD1 4.19Å; F433-I463 HydrophobicContact CZ-CG2 4.45Å; A436-I463 HydrophobicContact CB-CD1 4.22Å; A436-I463 HydrophobicContact CB-CG1 4.34Å; A436-I463 PolarHBondContact O-N 3.07Å; L438-I463 PolarHBondContact N-O 3.49Å |
| 464 | L | 98.6 | Very high | 85.9 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 134.5 | -177.6 | -61.7 | 93 | 0 | 0 | 0 | 110.6 | P407 V408 L410 L438 L459 Y566 I567 | P407-L464 HydrophobicContact CB-CD1 3.68Å; V408-L464 PolarHBondContact O-N 3.24Å; L410-L464 PolarHBondContact N-O 3.2Å; L438-L464 HydrophobicContact CB-CG 4.47Å; L438-L464 HydrophobicContact CD2-CD2 3.79Å; L438-L464 HydrophobicContact CD2-CG 3.96Å; L459-L464 HydrophobicContact CD1-CD1 4.44Å; L459-L464 HydrophobicContact CD1-CD2 4.21Å; L464-Y566 HydrophobicContact CD2-CD2 4.26Å; L464-I567 HydrophobicContact CB-CG1 3.96Å; L464-I567 HydrophobicContact CD2-CD1 4.21Å; L464-I567 HydrophobicContact CD2-CG1 3.96Å |
| 465 | I | 98.3 | Very high | 82.7 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 118.3 | -179 | -50.5 | -57.5 | 0 | 0 | 0 | 110.5 | L410 F412 L437 N467 L563 V564 | L410-I465 HydrophobicContact CB-CD1 4.21Å; L410-I465 HydrophobicContact CD1-CD1 3.87Å; L410-I465 HydrophobicContact CG-CD1 4.33Å; F412-I465 HydrophobicContact CD2-CG2 3.87Å; F412-I465 HydrophobicContact CE2-CD1 3.91Å; F412-I465 HydrophobicContact CE2-CG2 3.93Å; L437-I465 HydrophobicContact CD1-CD1 3.83Å; L437-I465 HydrophobicContact CD1-CG1 3.75Å; I465-N467 HydrophobicContact CG2-CB 4.01Å; I465-L563 HydrophobicContact CB-CB 4.3Å; I465-L563 HydrophobicContact CG1-CB 3.99Å; I465-V564 HydrophobicContact CG2-CG2 4.39Å |
| 466 | K | 97.9 | Very high | 79.4 | Confident | 8 Ų | 8 | 69.7 Ų | 69.7 | 4% | 0.035 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 103.2 | 162.8 | 169.8 | -106.4 | 163.9 | -158.2 | 0 | 108 | I409 L410 S411 F412 E553 I567 P569 M587 | I409-K466 HydrophobicContact CG2-CB 4.41Å; L410-K466 PolarHBondContact O-N 2.84Å; S411-K466 VanDerWaalsContact OG-CD 3.32Å; S411-K466 WeakPolarHBondContact OG-CD 3.41Å; S411-K466 PolarHBondContact OG-NZ 3.09Å; F412-K466 WeakPolarHBondContact CB-O 3.29Å; F412-K466 PolarHBondContact N-O 3.4Å; F412-K466 PolarHBondContact O-NZ 3.2Å; K466-E553 IonicContact NZ-OE1 2.73Å; K466-I567 HydrophobicContact CB-CB 4.28Å; K466-I567 HydrophobicContact CB-CG2 3.79Å; K466-I567 HydrophobicContact CG-CG2 4.23Å; K466-P569 HydrophobicContact CG-CB 4.28Å; K466-P569 HydrophobicContact CG-CG 4.15Å; K466-M587 HydrophobicContact CG-SD 4.29Å |
| 467 | N | 95.3 | Very high | 76.1 | Confident | 1 Ų | 1 | 75.9 Ų | 75.9 | 1% | 0.005 | 39% | 0.39 | C | S | . | . | trans | -147.2 | 162.9 | 170.9 | -168.2 | -0.4 | 0 | 0 | 0 | 108.1 | F412 I465 M560 V564 P569 | F412-N467 HydrophobicContact CB-CB 4.13Å; I465-N467 HydrophobicContact CG2-CB 4.01Å; N467-M560 VanDerWaalsContact ND2-CE 3.33Å; N467-M560 WeakPolarHBondContact ND2-CE 3.35Å; N467-V564 HydrophobicContact CB-CG2 3.97Å; N467-V564 WeakPolarHBondContact O-CG1 3.43Å; N467-V564 WeakPolarHBondContact O-CG2 3.5Å; N467-P569 VanDerWaalsContact C-CG 3.46Å; N467-P569 WeakPolarHBondContact O-CD 3.31Å; N467-P569 VanDerWaalsContact O-CG 3.27Å; N467-P569 WeakPolarHBondContact O-CG 3.34Å | ||
| 468 | K | 90.8 | Very high | 72.9 | Confident | 63 Ų | 63 | 78.2 Ų | 78.2 | 27% | 0.274 | 41% | 0.41 | S | S | . | . | trans | -56.8 | 143.3 | 175.3 | -77 | 167.6 | 171.9 | 159.2 | 0 | 111.1 | E553 V554 A556 | K468-E553 WeakPolarHBondContact CE-OE2 3.36Å; K468-E553 VanDerWaalsContact NZ-C 3.31Å; K468-E553 PolarHBondContact NZ-O 3.29Å; K468-E553 IonicContact NZ-OE2 3.41Å; K468-E553 PolarHBondContact NZ-OE2 3.04Å; K468-E553 VanDerWaalsContact NZ-OE2 3.17Å; K468-V554 VanDerWaalsContact CD-O 3.3Å; K468-V554 WeakPolarHBondContact CD-O 3.46Å; K468-V554 PolarHBondContact NZ-O 3.27Å; K468-A556 HydrophobicContact CB-CB 4.02Å; K468-A556 WeakPolarHBondContact O-CB 3.32Å | ||
| 469 | K | 87.6 | Confident | 69.7 | Low | 68 Ų | 68 | 86.9 Ų | 86.9 | 30% | 0.296 | 44% | 0.439 | S | S | . | . | trans | -116.6 | 136.6 | 176.2 | -161.1 | 177 | -172.6 | 167.2 | 0 | 109.8 | S561 V564 Q568 | K469-S561 VanDerWaalsContact CG-OG 3.26Å; K469-S561 WeakPolarHBondContact CG-OG 3.41Å; K469-V564 HydrophobicContact CB-CB 4.36Å; K469-V564 HydrophobicContact CB-CG1 4.26Å; K469-V564 HydrophobicContact CD-CB 4.29Å; K469-V564 HydrophobicContact CD-CG1 4.37Å; K469-V564 WeakPolarHBondContact CD-O 3.47Å; K469-V564 VanDerWaalsContact CE-O 3.24Å; K469-V564 WeakPolarHBondContact CE-O 3.49Å; K469-V564 HydrophobicContact CG-CB 4.37Å; K469-V564 PolarHBondContact NZ-O 3.41Å; K469-Q568 HydrophobicContact CB-CG 3.93Å; K469-Q568 HydrophobicContact CD-CG 4.36Å | ||
| 470 | K | 79.7 | Confident | 66.4 | Low | 114 Ų | 114 | 97.8 Ų | 97.8 | 50% | 0.496 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -72.9 | 142.5 | 170 | -78.9 | -176.7 | 172.3 | 178.3 | 0 | 109.8 | H472 A556 S561 | K470-H472 PolarHBondContact O-N 3.35Å; K470-A556 VanDerWaalsContact CE-O 3.23Å; K470-A556 WeakPolarHBondContact CE-O 3.3Å; K470-S561 PolarHBondContact N-OG 2.72Å |
| 471 | P | 59.5 | Low | 63.1 | Low | 125 Ų | 125 | 104.5 Ų | 104.5 | 81% | 0.812 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 125.9 | 168.9 | 28.3 | -32.9 | 0 | 0 | 0 | 109 | L473 | P471-L473 PolarHBondContact O-N 2.85Š|
| 472 | H | 46.4 | Very low | 59.6 | Low | 151 Ų | 151 | 109.7 Ų | 109.7 | 70% | 0.699 | 53% | 0.528 | S | S | * | . | P | Polyproline II helix | trans | -80.6 | 118 | 178.9 | -157.5 | -58 | 0 | 0 | 0 | 109.2 | K470 E474 | K470-H472 PolarHBondContact O-N 3.35Å; H472-E474 PolarHBondContact O-N 3.08Å |
| 473 | L | 35.9 | Very low | 56.7 | Low | 155 Ų | 155 | 111.9 Ų | 111.9 | 81% | 0.812 | 55% | 0.548 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 122.3 | 164.4 | -83.6 | 152.8 | 0 | 0 | 0 | 108.2 | P471 K475 | P471-L473 PolarHBondContact O-N 2.85Å; L473-K475 PolarHBondContact O-N 3.39Å; L473-K475 VanDerWaalsContact O-N 3.09Å |
| 474 | E | 31.3 | Very low | 53.2 | Low | 182 Ų | 182 | 118.3 Ų | 118.3 | 85% | 0.85 | 59% | 0.587 | S | S | * | * | trans | -66.3 | 109.7 | 179.5 | -68.9 | -174.5 | 170.8 | 0 | 0 | 110.1 | H472 T476 | H472-E474 PolarHBondContact O-N 3.08Å; E474-T476 PolarHBondContact O-N 3.41Å | ||
| 475 | K | 31.4 | Very low | 50.5 | Low | 175 Ų | 175 | 123.3 Ų | 123.3 | 76% | 0.761 | 62% | 0.62 | S | S | * | * | trans | -77.9 | 90 | 173.6 | -74.5 | 177.4 | 179.9 | 166 | 0 | 108.9 | L473 T477 | L473-K475 PolarHBondContact O-N 3.39Å; L473-K475 VanDerWaalsContact O-N 3.09Å; K475-T477 PolarHBondContact O-N 3.04Å; K475-T477 VanDerWaalsContact O-N 3.16Å | ||
| 476 | T | 27.4 | Very low | 47 | Very low | 129 Ų | 129 | 128.8 Ų | 128.8 | 79% | 0.791 | 65% | 0.654 | S | S | * | * | trans | -49.2 | 119.3 | 176.1 | -37.5 | 0 | 0 | 0 | 0 | 110.6 | E474 V478 | E474-T476 PolarHBondContact O-N 3.41Å; T476-V478 PolarHBondContact O-N 3.08Å | ||
| 477 | T | 29.8 | Very low | 43.6 | Very low | 130 Ų | 130 | 137 Ų | 137 | 80% | 0.798 | 69% | 0.692 | S | S | * | * | trans | -79.4 | 79.6 | -168.3 | 41.6 | 0 | 0 | 0 | 0 | 112.7 | K475 R479 | K475-T477 PolarHBondContact O-N 3.04Å; K475-T477 VanDerWaalsContact O-N 3.16Å; T477-R479 PolarHBondContact O-N 3.39Å | ||
| 478 | V | 30.9 | Very low | 40.6 | Very low | 133 Ų | 133 | 142.2 Ų | 142.2 | 81% | 0.806 | 73% | 0.726 | S | S | * | * | trans | -60 | 107 | 167.2 | -178.8 | 0 | 0 | 0 | 0 | 108.8 | T476 R480 | T476-V478 PolarHBondContact O-N 3.08Å; V478-R480 PolarHBondContact O-N 2.87Å | ||
| 479 | R | 30.7 | Very low | 37.4 | Very low | 236 Ų | 236 | 144.5 Ų | 144.5 | 89% | 0.891 | 75% | 0.75 | S | S | * | * | trans | -62.2 | 124.5 | 179.9 | -70.4 | -179 | 173.7 | -178.7 | -2.8 | 110.3 | T477 | T477-R479 PolarHBondContact O-N 3.39Š| ||
| 480 | R | 28.9 | Very low | 34.9 | Very low | 229 Ų | 229 | 146.7 Ų | 146.7 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | trans | -60 | 142.5 | 169.4 | -71.2 | -178.8 | 176 | 159.9 | -2.2 | 110.7 | V478 | V478-R480 PolarHBondContact O-N 2.87Š| ||
| 481 | K | 28.5 | Very low | 32.3 | Very low | 206 Ų | 206 | 146 Ų | 146 | 90% | 0.896 | 78% | 0.78 | S | S | * | * | trans | -136.5 | 119.2 | 161.2 | -91.3 | -169.4 | 172.3 | -174 | 0 | 108.2 | ||||
| 482 | D | 26.1 | Very low | 30.7 | Very low | 135 Ų | 135 | 150.4 Ų | 150.4 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | trans | -106.2 | 168.3 | 171 | -57.7 | -62.9 | 0 | 0 | 0 | 108.5 | ||||
| 483 | P | 36.4 | Very low | 29.7 | Very low | 108 Ų | 108 | 149.7 Ų | 149.7 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | cis | -140.1 | 153 | -43.4 | 36 | -20.5 | 0 | 0 | 0 | 114.9 | ||||
| 484 | V | 26.7 | Very low | 29.1 | Very low | 136 Ų | 136 | 147.8 Ų | 147.8 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | trans | 69.7 | 159.3 | 142.6 | 169.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 485 | P | 41 | Very low | 29.3 | Very low | 106 Ų | 106 | 145.1 Ų | 145.1 | 69% | 0.688 | 78% | 0.781 | S | S | * | * | cis | -125.3 | -176.4 | -7.1 | 24.9 | -1.4 | 0 | 0 | 0 | 116.7 | ||||
| 486 | T | 25.8 | Very low | 29.1 | Very low | 115 Ų | 115 | 145 Ų | 145 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | 114.1 | 87.1 | 133.9 | -14.6 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 487 | Q | 26.4 | Very low | 28.9 | Very low | 179 Ų | 179 | 144.6 Ų | 144.6 | 84% | 0.836 | 79% | 0.785 | S | S | * | * | trans | 64.2 | 174.9 | 139.7 | -58.8 | -154.5 | 5.8 | 0 | 0 | 119.3 | ||||
| 488 | P | 31.4 | Very low | 28.7 | Very low | 111 Ų | 111 | 145.1 Ų | 145.1 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | -128 | -178.6 | -97.6 | 31.8 | -8.2 | 0 | 0 | 0 | 116 | |||||
| 489 | S | 23.2 | Very low | 28.5 | Very low | 112 Ų | 112 | 144.7 Ų | 144.7 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | trans | -47.9 | 157.6 | 173.6 | -2.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 490 | P | 36.1 | Very low | 28.4 | Very low | 113 Ų | 113 | 142.9 Ų | 142.9 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | -152.3 | 165 | 57.6 | 42 | -21.9 | 0 | 0 | 0 | 120.6 | |||||
| 491 | S | 25.3 | Very low | 28.3 | Very low | 99 Ų | 99 | 135.5 Ų | 135.5 | 69% | 0.692 | 78% | 0.777 | S | S | * | * | trans | 69.2 | 125.5 | 139 | 62.9 | 0 | 0 | 0 | 0 | 124 | ||||
| 492 | R | 25.5 | Very low | 28.1 | Very low | 218 Ų | 218 | 134.8 Ų | 134.8 | 82% | 0.823 | 78% | 0.777 | S | S | * | * | 96.2 | 122 | 129.9 | -84.8 | -173.1 | 162 | 161 | 0.4 | 122.6 | |||||
| 493 | D | 24.6 | Very low | 28.1 | Very low | 137 Ų | 137 | 137.7 Ų | 137.7 | 73% | 0.733 | 78% | 0.783 | S | S | * | * | trans | 76.4 | 136.6 | 131.7 | -51.3 | -18.7 | 0 | 0 | 0 | 122.2 | ||||
| 494 | S | 23 | Very low | 27.5 | Very low | 115 Ų | 115 | 139.4 Ų | 139.4 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -101.7 | -172.3 | 179.9 | -27.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 495 | P | 35.3 | Very low | 27.4 | Very low | 126 Ų | 126 | 140.8 Ų | 140.8 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | cis | -129.8 | -161.6 | -12.4 | 34.5 | -12.3 | 0 | 0 | 0 | 113.5 | ||||
| 496 | L | 28.6 | Very low | 26.6 | Very low | 171 Ų | 171 | 140.1 Ų | 140.1 | 90% | 0.895 | 79% | 0.785 | S | S | * | * | trans | -89.3 | 168.2 | -172.1 | -68.5 | 162.4 | 0 | 0 | 0 | 115.7 | ||||
| 497 | T | 23.3 | Very low | 26.7 | Very low | 122 Ų | 122 | 142.5 Ų | 142.5 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | -144.7 | 136.8 | 163.1 | 23 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 498 | D | 25.4 | Very low | 26.7 | Very low | 141 Ų | 141 | 137.7 Ų | 137.7 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | trans | 65 | 148.7 | 135.5 | -58.1 | -15.5 | 0 | 0 | 0 | 128 | ||||
| 499 | T | 26.5 | Very low | 26.5 | Very low | 124 Ų | 124 | 139.7 Ų | 139.7 | 76% | 0.761 | 80% | 0.797 | S | S | * | * | trans | 91.7 | 95 | 144.2 | 34.8 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 500 | E | 28.1 | Very low | 26.6 | Very low | 197 Ų | 197 | 141.7 Ų | 141.7 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | 57.3 | 148 | 115 | -63.5 | -163.2 | 146.8 | 0 | 0 | 125.4 | |||||
| 501 | G | 26.6 | Very low | 26.6 | Very low | 74 Ų | 74 | 145.6 Ų | 145.6 | 76% | 0.763 | 80% | 0.799 | S | S | * | * | trans | -179.9 | 48.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 502 | Q | 25.5 | Very low | 26.5 | Very low | 191 Ų | 191 | 150.1 Ų | 150.1 | 89% | 0.893 | 81% | 0.809 | S | S | * | * | trans | 58.2 | 97.5 | 154.9 | -58 | -172.4 | -3.4 | 0 | 0 | 124.5 | ||||
| 503 | K | 26.4 | Very low | 26.5 | Very low | 196 Ų | 196 | 144 Ų | 144 | 85% | 0.852 | 81% | 0.805 | S | S | * | * | 48.6 | 130 | 99.8 | -142.8 | 175.4 | -161.6 | 170.3 | 0 | 122.3 | |||||
| 504 | I | 23.6 | Very low | 26.5 | Very low | 145 Ų | 145 | 144.5 Ų | 144.5 | 74% | 0.744 | 80% | 0.804 | S | S | * | * | 158.2 | 125.8 | 128.4 | -84.3 | 165 | 0 | 0 | 0 | 116.6 | |||||
| 505 | L | 24.7 | Very low | 26.5 | Very low | 165 Ų | 165 | 147.4 Ų | 147.4 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | trans | 53.4 | 170.9 | 159.4 | -63 | 167.9 | 0 | 0 | 0 | 120.9 | ||||
| 506 | S | 23.6 | Very low | 25.9 | Very low | 92 Ų | 92 | 145.9 Ų | 145.9 | 64% | 0.643 | 80% | 0.8 | S | S | * | * | -166.1 | 135 | -50.9 | -173.5 | 0 | 0 | 0 | 0 | 112 | |||||
| 507 | N | 28.6 | Very low | 25.7 | Very low | 164 Ų | 164 | 142.3 Ų | 142.3 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | trans | 29.9 | 127.6 | 164.1 | -63.2 | 9.2 | 0 | 0 | 0 | 122.8 | ||||
| 508 | G | 25.3 | Very low | 25.7 | Very low | 79 Ų | 79 | 146.6 Ų | 146.6 | 81% | 0.814 | 80% | 0.803 | S | S | * | * | trans | 170.6 | 53.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 509 | D | 27.3 | Very low | 25.6 | Very low | 152 Ų | 152 | 146.8 Ų | 146.8 | 81% | 0.813 | 80% | 0.804 | S | S | * | * | trans | 57.2 | 148 | 151 | -128.3 | -15.8 | 0 | 0 | 0 | 125.2 | ||||
| 510 | Q | 25.9 | Very low | 26.6 | Very low | 155 Ų | 155 | 146.4 Ų | 146.4 | 72% | 0.724 | 80% | 0.803 | S | S | * | * | trans | 62.2 | 112.4 | 161.5 | -53 | -163.7 | 22.7 | 0 | 0 | 125.5 | ||||
| 511 | K | 36 | Very low | 26.5 | Very low | 194 Ų | 194 | 140.3 Ų | 140.3 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | trans | 41.4 | 105.4 | 136.3 | -63.8 | 179.8 | 177.7 | 175.7 | 0 | 121.4 | ||||
| 512 | Q | 22.9 | Very low | 26.5 | Very low | 194 Ų | 194 | 145.2 Ų | 145.2 | 91% | 0.907 | 80% | 0.797 | S | S | * | * | 178.4 | 148.1 | 112.6 | -100.7 | -177.5 | 10.2 | 0 | 0 | 114.3 | |||||
| 513 | A | 24.9 | Very low | 26.6 | Very low | 90 Ų | 90 | 147.3 Ų | 147.3 | 74% | 0.744 | 80% | 0.796 | S | S | * | * | trans | 60.3 | 149.6 | 144.6 | 0 | 0 | 0 | 0 | 0 | 125 | ||||
| 514 | E | 24.2 | Very low | 26.5 | Very low | 148 Ų | 148 | 141.5 Ų | 141.5 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | trans | 74 | 109.4 | 153.8 | -58.4 | -129 | 104.1 | 0 | 0 | 123.9 | ||||
| 515 | K | 23.9 | Very low | 26.8 | Very low | 176 Ų | 176 | 144.4 Ų | 144.4 | 77% | 0.765 | 80% | 0.803 | S | S | * | * | 58.2 | 126.7 | 125.2 | -67.4 | 175.2 | -177.6 | 149 | 0 | 123.7 | |||||
| 516 | A | 23.4 | Very low | 26.8 | Very low | 94 Ų | 94 | 139.9 Ų | 139.9 | 78% | 0.777 | 80% | 0.796 | S | S | * | * | trans | 86 | 93.9 | 130.1 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 517 | A | 24.8 | Very low | 27.5 | Very low | 95 Ų | 95 | 145.5 Ų | 145.5 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | 58.8 | 118.8 | 124.7 | 0 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 518 | K | 23.2 | Very low | 27.4 | Very low | 212 Ų | 212 | 142.8 Ų | 142.8 | 92% | 0.922 | 81% | 0.806 | S | S | * | * | -173.1 | 151.1 | 105.8 | -102.4 | 173 | -177.4 | -179.5 | 0 | 114.7 | |||||
| 519 | D | 23.2 | Very low | 27.9 | Very low | 145 Ų | 145 | 148.1 Ų | 148.1 | 78% | 0.775 | 81% | 0.809 | S | S | * | * | trans | -83.3 | -179.7 | 165.2 | -149.3 | 36.5 | 0 | 0 | 0 | 109.5 | ||||
| 520 | P | 45.8 | Very low | 27.8 | Very low | 116 Ų | 116 | 150.3 Ų | 150.3 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | cis | -144.4 | 172.8 | 8.5 | 45 | -26.5 | 0 | 0 | 0 | 119.4 | ||||
| 521 | G | 26 | Very low | 27.8 | Very low | 69 Ų | 69 | 151.6 Ų | 151.6 | 71% | 0.711 | 82% | 0.821 | S | S | * | * | trans | 119.5 | 151.2 | 139.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 522 | Q | 28.2 | Very low | 27.4 | Very low | 178 Ų | 178 | 151.5 Ų | 151.5 | 83% | 0.832 | 82% | 0.823 | S | S | * | * | cis | -164 | 158.8 | -10.7 | -151.9 | -172.1 | 42.9 | 0 | 0 | 111.9 | ||||
| 523 | R | 26.9 | Very low | 27.5 | Very low | 235 Ų | 235 | 151.6 Ų | 151.6 | 89% | 0.887 | 82% | 0.824 | S | S | * | * | trans | 82.1 | 128.6 | 172 | -55.5 | -177.2 | 178.5 | -167.7 | -2.4 | 116.4 | ||||
| 524 | G | 25.1 | Very low | 27.6 | Very low | 74 Ų | 74 | 153 Ų | 153 | 76% | 0.763 | 82% | 0.819 | S | S | * | * | cis | 177.4 | 159.8 | -7.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 525 | E | 28.7 | Very low | 27.7 | Very low | 206 Ų | 206 | 155 Ų | 155 | 96% | 0.963 | 83% | 0.828 | S | S | * | * | trans | 55.8 | 96.7 | 162.3 | -69.6 | 173.4 | -156.8 | 0 | 0 | 118.5 | ||||
| 526 | G | 24.3 | Very low | 27.8 | Very low | 70 Ų | 70 | 152.2 Ų | 152.2 | 72% | 0.722 | 82% | 0.819 | S | S | * | * | trans | -168.3 | 118.6 | 159.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 527 | E | 38.9 | Very low | 28.1 | Very low | 210 Ų | 210 | 155.1 Ų | 155.1 | 98% | 0.981 | 82% | 0.821 | S | S | * | * | trans | -75 | 122.8 | 171.1 | -66.4 | 179.9 | 136.7 | 0 | 0 | 108.5 | ||||
| 528 | S | 26.2 | Very low | 28.4 | Very low | 107 Ų | 107 | 156.6 Ų | 156.6 | 75% | 0.748 | 82% | 0.822 | S | S | * | * | trans | -145.1 | 134.4 | 173.6 | 52.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 529 | E | 36.5 | Very low | 28.7 | Very low | 190 Ų | 190 | 152.4 Ų | 152.4 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 129.3 | 176.9 | -58.9 | 167.8 | 133.6 | 0 | 0 | 108.6 | ||
| 530 | E | 25.8 | Very low | 28.9 | Very low | 198 Ų | 198 | 148.9 Ų | 148.9 | 93% | 0.925 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 127.3 | 171.1 | -73.7 | -170.3 | 166.4 | 0 | 0 | 110 | ||
| 531 | E | 24.7 | Very low | 28.1 | Very low | 182 Ų | 182 | 152.4 Ų | 152.4 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 148.8 | -163.1 | -57.5 | 177.4 | 118.6 | 0 | 0 | 112.6 | E533 | E531-E533 PolarHBondContact O-N 3.5Å; E531-E533 VanDerWaalsContact O-N 3.09Å |
| 532 | E | 27 | Very low | 28.4 | Very low | 192 Ų | 192 | 157.1 Ų | 157.1 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | trans | -69.6 | 103.6 | 165.2 | -72 | -165.5 | 149.6 | 0 | 0 | 109 | N534 | E532-N534 VanDerWaalsContact C-N 3.29Å; E532-N534 PolarHBondContact O-N 3.24Å | ||
| 533 | E | 25.8 | Very low | 28.6 | Very low | 196 Ų | 196 | 154.6 Ų | 154.6 | 92% | 0.916 | 81% | 0.805 | S | S | * | * | trans | -61.1 | 89.4 | 172 | -79.8 | -163.6 | 136.1 | 0 | 0 | 111.1 | E531 E535 | E531-E533 PolarHBondContact O-N 3.5Å; E531-E533 VanDerWaalsContact O-N 3.09Å; E533-E535 PolarHBondContact O-N 3.3Å | ||
| 534 | N | 25.9 | Very low | 29.3 | Very low | 120 Ų | 120 | 147.5 Ų | 147.5 | 64% | 0.642 | 80% | 0.796 | S | S | * | * | trans | -91.9 | 90.6 | 180 | -179.1 | 42.1 | 0 | 0 | 0 | 109.1 | E532 M536 | E532-N534 VanDerWaalsContact C-N 3.29Å; E532-N534 PolarHBondContact O-N 3.24Å; N534-M536 VanDerWaalsContact C-N 3.3Å; N534-M536 VanDerWaalsContact ND2-CG 3.29Å; N534-M536 WeakPolarHBondContact ND2-CG 3.13Å; N534-M536 PolarHBondContact O-N 2.97Å | ||
| 535 | E | 26.3 | Very low | 30.7 | Very low | 191 Ų | 191 | 146.8 Ų | 146.8 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | trans | -60 | 90.3 | 172.1 | -78.5 | -160.6 | 132.9 | 0 | 0 | 110.8 | E533 L537 | E533-E535 PolarHBondContact O-N 3.3Å; E535-L537 PolarHBondContact O-N 3.47Å | ||
| 536 | M | 27.7 | Very low | 32.5 | Very low | 116 Ų | 116 | 140.1 Ų | 140.1 | 57% | 0.571 | 75% | 0.749 | S | S | * | * | trans | -77.1 | 108.2 | -179.1 | -72.1 | -164.2 | 69.3 | 0 | 0 | 111.2 | N534 E539 | N534-M536 VanDerWaalsContact C-N 3.3Å; N534-M536 VanDerWaalsContact ND2-CG 3.29Å; N534-M536 WeakPolarHBondContact ND2-CG 3.13Å; N534-M536 PolarHBondContact O-N 2.97Å; M536-E539 HydrophobicContact CE-CB 4.25Å; M536-E539 HydrophobicContact CE-CG 4.09Å | ||
| 537 | L | 28.5 | Very low | 34.7 | Very low | 156 Ų | 156 | 138.9 Ų | 138.9 | 82% | 0.817 | 72% | 0.724 | S | S | * | * | trans | -55.4 | 143.2 | 153.7 | -69.8 | 169.1 | 0 | 0 | 0 | 109.4 | E535 E539 | E535-L537 PolarHBondContact O-N 3.47Å; L537-E539 PolarHBondContact O-N 3.45Å | ||
| 538 | P | 30.7 | Very low | 36.6 | Very low | 125 Ų | 125 | 130.7 Ų | 130.7 | 81% | 0.812 | 70% | 0.696 | S | S | * | * | trans | -57.5 | 129.9 | -166.9 | -27.4 | 35.3 | 0 | 0 | 0 | 113.9 | G540 | P538-G540 PolarHBondContact O-N 3.45Š| ||
| 539 | E | 29.9 | Very low | 39 | Very low | 125 Ų | 125 | 126.6 Ų | 126.6 | 58% | 0.584 | 67% | 0.666 | S | S | * | * | trans | -73.1 | 87.9 | -170.9 | -141.4 | -167.4 | -144.8 | 0 | 0 | 112.7 | M536 L537 K541 K542 | M536-E539 HydrophobicContact CE-CB 4.25Å; M536-E539 HydrophobicContact CE-CG 4.09Å; L537-E539 PolarHBondContact O-N 3.45Å; E539-K541 PolarHBondContact O-N 2.94Å; E539-K541 VanDerWaalsContact O-N 3.07Å; E539-K542 WeakPolarHBondContact OE1-CE 3.44Å; E539-K542 IonicContact OE1-NZ 2.68Å; E539-K542 PolarHBondContact OE1-NZ 3.1Å; E539-K542 IonicContact OE2-NZ 3.28Å; E539-K542 PolarHBondContact OE2-NZ 2.96Å | ||
| 540 | G | 27.6 | Very low | 40.7 | Very low | 71 Ų | 71 | 118.6 Ų | 118.6 | 73% | 0.732 | 63% | 0.633 | S | S | * | * | trans | -70.5 | 98.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | P538 | P538-G540 PolarHBondContact O-N 3.45Š| ||
| 541 | K | 28.5 | Very low | 43.1 | Very low | 190 Ų | 190 | 113.7 Ų | 113.7 | 83% | 0.826 | 61% | 0.612 | S | S | * | * | trans | 41.3 | 97 | 157.5 | -66.5 | 171.2 | -178.5 | 164.4 | 0 | 115.6 | E539 V543 | E539-K541 PolarHBondContact O-N 2.94Å; E539-K541 VanDerWaalsContact O-N 3.07Å; K541-V543 VanDerWaalsContact C-N 3.35Å; K541-V543 PolarHBondContact O-N 3.15Å | ||
| 542 | K | 34.1 | Very low | 45.6 | Very low | 168 Ų | 168 | 110.7 Ų | 110.7 | 73% | 0.73 | 60% | 0.602 | S | S | * | * | trans | -62.6 | 88.2 | 168.6 | -73.9 | 170.1 | 175.2 | 132.1 | 0 | 112.2 | E539 | E539-K542 WeakPolarHBondContact OE1-CE 3.44Å; E539-K542 IonicContact OE1-NZ 2.68Å; E539-K542 PolarHBondContact OE1-NZ 3.1Å; E539-K542 IonicContact OE2-NZ 3.28Å; E539-K542 PolarHBondContact OE2-NZ 2.96Å | ||
| 543 | V | 30.8 | Very low | 48.4 | Very low | 124 Ų | 124 | 103.1 Ų | 103.1 | 75% | 0.752 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 155.2 | 164.4 | -177.7 | 0 | 0 | 0 | 0 | 108.8 | K541 S545 | K541-V543 VanDerWaalsContact C-N 3.35Å; K541-V543 PolarHBondContact O-N 3.15Å; V543-S545 PolarHBondContact O-N 3.32Å |
| 544 | A | 41.4 | Very low | 51.3 | Low | 86 Ų | 86 | 95.8 Ų | 95.8 | 71% | 0.711 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 122.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 545 | S | 55 | Low | 54 | Low | 59 Ų | 59 | 94.3 Ų | 94.3 | 41% | 0.413 | 53% | 0.534 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 134.8 | -170.8 | -170.8 | 0 | 0 | 0 | 0 | 112.4 | V543 E547 | V543-S545 PolarHBondContact O-N 3.32Å; S545-E547 PolarHBondContact O-N 3.25Å; S545-E547 WeakPolarHBondContact OG-CB 3.47Å; S545-E547 PolarHBondContact OG-N 3.13Å; S545-E547 PolarHBondContact OG-OE2 3.34Å |
| 546 | E | 67 | Low | 56.7 | Low | 67 Ų | 67 | 85.4 Ų | 85.4 | 31% | 0.313 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -11.7 | 170.7 | -68.6 | -171 | 130.3 | 0 | 0 | 112.9 | G548 T593 K620 G621 T622 | E546-G548 PolarHBondContact O-N 3.23Å; E546-T593 VanDerWaalsContact OE2-CB 3.26Å; E546-T593 WeakPolarHBondContact OE2-CB 3.48Å; E546-T593 WeakPolarHBondContact OE2-CG2 3.48Å; E546-T593 PolarHBondContact OE2-OG1 3.37Å; E546-K620 HydrophobicContact CB-CB 4.24Å; E546-K620 HydrophobicContact CG-CD 4.43Å; E546-K620 WeakPolarHBondContact OE1-CD 3.49Å; E546-K620 IonicContact OE1-NZ 2.73Å; E546-K620 PolarHBondContact OE1-NZ 3.36Å; E546-K620 IonicContact OE2-NZ 3.17Å; E546-G621 PolarHBondContact O-N 2.69Å; E546-G621 VanDerWaalsContact O-N 3.13Å; E546-T622 HydrophobicContact CG-CG2 4.44Å |
| 547 | E | 71 | Confident | 59.6 | Low | 43 Ų | 43 | 80.7 Ų | 80.7 | 20% | 0.201 | 47% | 0.472 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -7.1 | -179.1 | -64.8 | 172.8 | 146.8 | 0 | 0 | 113.7 | S545 A550 V591 K594 | S545-E547 PolarHBondContact O-N 3.25Å; S545-E547 WeakPolarHBondContact OG-CB 3.47Å; S545-E547 PolarHBondContact OG-N 3.13Å; S545-E547 PolarHBondContact OG-OE2 3.34Å; E547-A550 WeakPolarHBondContact O-CB 3.45Å; E547-V591 HydrophobicContact CG-CB 4.01Å; E547-V591 HydrophobicContact CG-CG1 3.59Å; E547-K594 IonicContact OE1-NZ 2.68Å; E547-K594 PolarHBondContact OE1-NZ 3.09Å |
| 548 | G | 78.7 | Confident | 62.5 | Low | 38 Ų | 38 | 78.8 Ų | 78.8 | 39% | 0.392 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | 71.3 | -144 | 173 | 0 | 0 | 0 | 0 | 0 | 114.2 | E546 A550 | E546-G548 PolarHBondContact O-N 3.23Å; G548-A550 VanDerWaalsContact C-N 3.35Å |
| 549 | T | 75.5 | Confident | 65.3 | Low | 21 Ų | 21 | 76.4 Ų | 76.4 | 13% | 0.129 | 44% | 0.436 | C | S | . | . | G | 310 helix | trans | -69.7 | -30.4 | 178.4 | 42.4 | 0 | 0 | 0 | 0 | 112.7 | W366 E413 H415 L551 N552 | W366-T549 HydrophobicContact CZ2-CG2 4.25Å; E413-T549 VanDerWaalsContact OE1-C 3.22Å; E413-T549 WeakPolarHBondContact OE1-CB 3.38Å; E413-T549 PolarHBondContact OE1-OG1 3.18Å; H415-T549 PolarHBondContact CE1-O 3.39Å; T549-L551 PolarHBondContact O-N 2.84Å; T549-N552 PolarHBondContact O-N 2.95Å |
| 550 | A | 73.8 | Confident | 68.2 | Low | 22 Ų | 22 | 70.5 Ų | 70.5 | 18% | 0.182 | 41% | 0.409 | C | S | . | . | G | 310 helix | trans | -49 | -31.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | E413 E547 G548 N552 | E413-A550 VanDerWaalsContact CD-CA 3.41Å; E413-A550 PolarHBondContact OE1-N 2.94Å; E413-A550 VanDerWaalsContact OE1-N 3.14Å; E413-A550 WeakPolarHBondContact OE2-CA 3.13Å; E413-A550 WeakPolarHBondContact OE2-CB 3.24Å; E413-A550 PolarHBondContact OE2-N 3.3Å; E547-A550 WeakPolarHBondContact O-CB 3.45Å; G548-A550 VanDerWaalsContact C-N 3.35Å; A550-N552 PolarHBondContact O-N 3.29Å |
| 551 | L | 74.8 | Confident | 71.2 | Confident | 95 Ų | 95 | 67.3 Ų | 67.3 | 50% | 0.497 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -58.4 | -32.6 | 177.5 | 178.8 | 60.8 | 0 | 0 | 0 | 113 | T549 | T549-L551 PolarHBondContact O-N 2.84Š|
| 552 | N | 78.4 | Confident | 74.3 | Confident | 120 Ų | 120 | 61.9 Ų | 61.9 | 64% | 0.642 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -110.7 | 14.3 | -167.9 | -65.7 | -38.2 | 0 | 0 | 0 | 114.4 | T549 A550 V554 | T549-N552 PolarHBondContact O-N 2.95Å; A550-N552 PolarHBondContact O-N 3.29Å; N552-V554 PolarHBondContact O-N 3.25Å |
| 553 | E | 84.4 | Confident | 77.2 | Confident | 33 Ų | 33 | 53.9 Ų | 53.9 | 15% | 0.154 | 32% | 0.32 | C | S | . | . | trans | -45.1 | 138.1 | 171.4 | -79.8 | -179.1 | -175.5 | 0 | 0 | 111.9 | E413 N414 K466 K468 | E413-E553 HydrophobicContact CG-CG 3.61Å; N414-E553 CarbonylContact O-C 3.54Å; N414-E553 WeakPolarHBondContact O-CA 3.47Å; K466-E553 IonicContact NZ-OE1 2.73Å; K468-E553 WeakPolarHBondContact CE-OE2 3.36Å; K468-E553 VanDerWaalsContact NZ-C 3.31Å; K468-E553 PolarHBondContact NZ-O 3.29Å; K468-E553 IonicContact NZ-OE2 3.41Å; K468-E553 PolarHBondContact NZ-OE2 3.04Å; K468-E553 VanDerWaalsContact NZ-OE2 3.17Å | ||
| 554 | V | 86.9 | Confident | 80.3 | Confident | 41 Ų | 41 | 48.1 Ų | 48.1 | 25% | 0.248 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -73.8 | 167.6 | -180 | -176.6 | 0 | 0 | 0 | 0 | 111.4 | N414 D417 K468 N552 | N414-V554 PolarHBondContact O-N 2.97Å; D417-V554 HydrophobicContact CB-CG1 4.45Å; D417-V554 HydrophobicContact CB-CG2 4.46Å; K468-V554 VanDerWaalsContact CD-O 3.3Å; K468-V554 WeakPolarHBondContact CD-O 3.46Å; K468-V554 PolarHBondContact NZ-O 3.27Å; N552-V554 PolarHBondContact O-N 3.25Å |
| 555 | S | 83.8 | Confident | 82.8 | Confident | 89 Ų | 89 | 44.1 Ų | 44.1 | 62% | 0.622 | 25% | 0.252 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 135.5 | 168.2 | 51.9 | 0 | 0 | 0 | 0 | 111.2 | Q422 | Q422-S555 PolarHBondContact NE2-O 3.42Å; Q422-S555 VanDerWaalsContact NE2-O 3.09Å |
| 556 | A | 83.3 | Confident | 84.9 | Confident | 5 Ų | 5 | 41.5 Ų | 41.5 | 4% | 0.041 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -71.8 | 143.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | K468 K470 | K468-A556 HydrophobicContact CB-CB 4.02Å; K468-A556 WeakPolarHBondContact O-CB 3.32Å; K470-A556 VanDerWaalsContact CE-O 3.23Å; K470-A556 WeakPolarHBondContact CE-O 3.3Å |
| 557 | T | 88.3 | Confident | 86.3 | Confident | 17 Ų | 17 | 38.3 Ų | 38.3 | 10% | 0.104 | 22% | 0.219 | C | C | . | . | trans | -77.4 | 175.4 | 167.7 | 67.6 | 0 | 0 | 0 | 0 | 111.7 | P419 Q422 E559 S561 | P419-T557 HydrophobicContact CB-CG2 3.83Å; P419-T557 HydrophobicContact CG-CG2 4.28Å; Q422-T557 HydrophobicContact CB-CG2 3.97Å; Q422-T557 HydrophobicContact CG-CG2 4.31Å; T557-E559 VanDerWaalsContact C-N 3.33Å; T557-E559 WeakPolarHBondContact CB-OE2 3.39Å; T557-E559 PolarHBondContact OG1-OE2 2.99Å; T557-S561 WeakPolarHBondContact O-CB 3.3Å; T557-S561 PolarHBondContact O-N 3.25Å | ||
| 558 | E | 89.4 | Confident | 87.6 | Confident | 115 Ų | 115 | 37.6 Ų | 37.6 | 54% | 0.537 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.4 | -39.5 | 179.6 | -170.1 | 168 | 154.5 | 0 | 0 | 111.2 | M560 S561 N562 | E558-M560 PolarHBondContact O-N 3Å; E558-S561 PolarHBondContact O-N 3.25Å; E558-N562 WeakPolarHBondContact O-CB 3.47Å; E558-N562 PolarHBondContact O-N 3.06Å; E558-N562 PolarHBondContact O-ND2 2.98Å; E558-N562 PolarHBondContact O-OD1 3.14Å |
| 559 | E | 89.9 | Confident | 88.4 | Confident | 76 Ų | 76 | 37 Ų | 37 | 36% | 0.355 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.6 | -38.2 | -176.3 | -55.1 | 81 | -179.5 | 0 | 0 | 112.9 | A423 A426 R430 T557 | A423-E559 HydrophobicContact CB-CB 4.29Å; A423-E559 HydrophobicContact CB-CG 3.86Å; A426-E559 HydrophobicContact CB-CB 3.95Å; A426-E559 WeakPolarHBondContact CB-O 3.2Å; R430-E559 PolarHBondContact NH2-O 3.15Å; T557-E559 VanDerWaalsContact C-N 3.33Å; T557-E559 WeakPolarHBondContact CB-OE2 3.39Å; T557-E559 PolarHBondContact OG1-OE2 2.99Å |
| 560 | M | 90.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -82.1 | -38.8 | 173.3 | -73.7 | -61.9 | -64.5 | 0 | 0 | 112 | F412 Q422 M425 A426 N467 E558 N562 L563 | F412-M560 HydrophobicContact CD1-CE 3.87Å; F412-M560 HydrophobicContact CE1-CE 3.7Å; F412-M560 HydrophobicContact CZ-CE 4.27Å; Q422-M560 HydrophobicContact CB-CG 4.05Å; Q422-M560 WeakPolarHBondContact O-CG 2.99Å; M425-M560 HydrophobicContact CB-SD 3.98Å; M425-M560 HydrophobicContact CE-CE 4.39Å; A426-M560 HydrophobicContact CB-CG 4.23Å; A426-M560 HydrophobicContact CB-SD 3.6Å; N467-M560 VanDerWaalsContact ND2-CE 3.33Å; N467-M560 WeakPolarHBondContact ND2-CE 3.35Å; E558-M560 PolarHBondContact O-N 3Å; M560-N562 PolarHBondContact O-N 3.05Å; M560-L563 WeakPolarHBondContact O-CB 3.43Å; M560-L563 PolarHBondContact O-N 3.13Å; M560-L563 HydrophobicContact SD-CD1 4.44Å |
| 561 | S | 90.7 | Very high | 90.2 | Very high | 5 Ų | 5 | 46.2 Ų | 46.2 | 4% | 0.035 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.4 | -32.5 | 176.9 | 177.8 | 0 | 0 | 0 | 0 | 112.3 | K469 K470 T557 E558 L563 V564 | K469-S561 VanDerWaalsContact CG-OG 3.26Å; K469-S561 WeakPolarHBondContact CG-OG 3.41Å; K470-S561 PolarHBondContact N-OG 2.72Å; T557-S561 WeakPolarHBondContact O-CB 3.3Å; T557-S561 PolarHBondContact O-N 3.25Å; E558-S561 PolarHBondContact O-N 3.25Å; S561-L563 PolarHBondContact O-N 2.85Å; S561-V564 PolarHBondContact O-N 2.66Å |
| 562 | N | 93 | Very high | 91.1 | Very high | 75 Ų | 75 | 44.1 Ų | 44.1 | 40% | 0.401 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -0.3 | 177.6 | -67.3 | -6.3 | 0 | 0 | 0 | 113.8 | E558 M560 | E558-N562 WeakPolarHBondContact O-CB 3.47Å; E558-N562 PolarHBondContact O-N 3.06Å; E558-N562 PolarHBondContact O-ND2 2.98Å; E558-N562 PolarHBondContact O-OD1 3.14Å; M560-N562 PolarHBondContact O-N 3.05Å |
| 563 | L | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -1.2 | 171.2 | -58.5 | -177 | 0 | 0 | 0 | 113.2 | A426 C429 R430 L437 I439 I465 M560 S561 | A426-L563 HydrophobicContact CB-CD1 4.03Å; C429-L563 HydrophobicContact CB-CD1 3.99Å; R430-L563 HydrophobicContact CG-CD2 4.25Å; L437-L563 HydrophobicContact CD2-CD1 4.32Å; L437-L563 HydrophobicContact CD2-CD2 3.88Å; I439-L563 HydrophobicContact CD1-CD2 4.47Å; I439-L563 HydrophobicContact CG1-CD2 4.03Å; I439-L563 HydrophobicContact CG2-CD2 4.33Å; I465-L563 HydrophobicContact CB-CB 4.3Å; I465-L563 HydrophobicContact CG1-CB 3.99Å; M560-L563 WeakPolarHBondContact O-CB 3.43Å; M560-L563 PolarHBondContact O-N 3.13Å; M560-L563 HydrophobicContact SD-CD1 4.44Å; S561-L563 PolarHBondContact O-N 2.85Å |
| 564 | V | 96.2 | Very high | 92.2 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.018 | 24% | 0.239 | C | C | . | . | trans | -105 | 115.1 | -172.4 | -177.9 | 0 | 0 | 0 | 0 | 110.3 | I465 N467 K469 S561 Q568 | I465-V564 HydrophobicContact CG2-CG2 4.39Å; N467-V564 HydrophobicContact CB-CG2 3.97Å; N467-V564 WeakPolarHBondContact O-CG1 3.43Å; N467-V564 WeakPolarHBondContact O-CG2 3.5Å; K469-V564 HydrophobicContact CB-CB 4.36Å; K469-V564 HydrophobicContact CB-CG1 4.26Å; K469-V564 HydrophobicContact CD-CB 4.29Å; K469-V564 HydrophobicContact CD-CG1 4.37Å; K469-V564 WeakPolarHBondContact CD-O 3.47Å; K469-V564 VanDerWaalsContact CE-O 3.24Å; K469-V564 WeakPolarHBondContact CE-O 3.49Å; K469-V564 HydrophobicContact CG-CB 4.37Å; K469-V564 PolarHBondContact NZ-O 3.41Å; S561-V564 PolarHBondContact O-N 2.66Å; V564-Q568 HydrophobicContact CG1-CB 4.11Å; V564-Q568 HydrophobicContact CG1-CG 4.26Å | ||
| 565 | N | 95 | Very high | 92.6 | Very high | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.011 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -120.1 | -91.1 | 179.4 | 42.8 | 51.2 | 0 | 0 | 0 | 112.2 | L438 I439 P441 L447 I567 | L438-N565 PolarHBondContact O-ND2 3.45Å; I439-N565 PolarHBondContact O-ND2 3.34Å; P441-N565 HydrophobicContact CG-CB 4.49Å; L447-N565 HydrophobicContact CD1-CB 4.12Å; L447-N565 HydrophobicContact CD2-CB 4.49Å; N565-I567 PolarHBondContact O-N 3.12Å |
| 566 | Y | 97.7 | Very high | 93 | Very high | 5 Ų | 5 | 46.7 Ų | 46.7 | 2% | 0.02 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -78.4 | -14.3 | -169.5 | -64.7 | -69.2 | 0 | 0 | 0 | 115.2 | L438 P441 L442 Y445 L447 L453 P454 L464 Y585 | L438-Y566 HydrophobicContact CD2-CD2 3.71Å; L438-Y566 HydrophobicContact CD2-CE2 3.86Å; P441-Y566 WeakPolarHBondContact CA-OH 3.38Å; P441-Y566 HydrophobicContact CB-CE2 4.48Å; P441-Y566 WeakPolarHBondContact CB-OH 3.48Å; L442-Y566 PolarHBondContact N-OH 2.82Å; L442-Y566 PolarHBondContact O-OH 2.96Å; Y445-Y566 WeakPolarHBondContact CB-OH 3.46Å; Y445-Y566 VanDerWaalsContact O-CE1 3.24Å; Y445-Y566 WeakPolarHBondContact O-CE1 3.45Å; Y445-Y566 PolarHBondContact O-OH 3.03Å; L447-Y566 HydrophobicContact CD2-CD1 3.76Å; L447-Y566 HydrophobicContact CD2-CE1 3.75Å; L447-Y566 HydrophobicContact CD2-CG 4.45Å; L453-Y566 HydrophobicContact CD2-CD1 4.22Å; L453-Y566 WeakPolarHBondContact CD2-O 3.47Å; P454-Y566 VanDerWaalsContact CD-CD1 3.46Å; P454-Y566 HydrophobicContact CG-CD1 3.91Å; P454-Y566 HydrophobicContact CG-CD2 4.05Å; P454-Y566 HydrophobicContact CG-CE1 3.62Å; P454-Y566 HydrophobicContact CG-CE2 3.77Å; P454-Y566 HydrophobicContact CG-CG 4.11Å; L464-Y566 HydrophobicContact CD2-CD2 4.26Å; Y566-Y585 WeakPolarHBondContact O-CA 3.48Å |
| 567 | I | 97.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | trans | -118.3 | 57.7 | -176.5 | -36.5 | -66.5 | 0 | 0 | 0 | 109.3 | L323 I409 L464 K466 N565 P569 M587 L614 | L323-I567 HydrophobicContact CD2-CD1 3.87Å; I409-I567 HydrophobicContact CD1-CD1 4.12Å; I409-I567 HydrophobicContact CG2-CG2 4.19Å; L464-I567 HydrophobicContact CB-CG1 3.96Å; L464-I567 HydrophobicContact CD2-CD1 4.21Å; L464-I567 HydrophobicContact CD2-CG1 3.96Å; K466-I567 HydrophobicContact CB-CB 4.28Å; K466-I567 HydrophobicContact CB-CG2 3.79Å; K466-I567 HydrophobicContact CG-CG2 4.23Å; N565-I567 PolarHBondContact O-N 3.12Å; I567-P569 WeakPolarHBondContact O-CD 3.42Å; I567-M587 HydrophobicContact CG2-CG 3.91Å; I567-L614 HydrophobicContact CD1-CD1 3.5Å; I567-L614 VanDerWaalsContact CD1-CD1 3.5Å | ||
| 568 | Q | 97.1 | Very high | 93.7 | Very high | 28 Ų | 28 | 48.5 Ų | 48.5 | 13% | 0.131 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 107.3 | -176.1 | -173.8 | -175.1 | -50.5 | 0 | 0 | 111.2 | K469 V564 V570 Y585 E586 M587 | K469-Q568 HydrophobicContact CB-CG 3.93Å; K469-Q568 HydrophobicContact CD-CG 4.36Å; V564-Q568 HydrophobicContact CG1-CB 4.11Å; V564-Q568 HydrophobicContact CG1-CG 4.26Å; Q568-V570 PolarHBondContact O-N 3.48Å; Q568-Y585 HydrophobicContact CB-CD2 4.24Å; Q568-Y585 WeakPolarHBondContact CB-O 3.13Å; Q568-Y585 PolarHBondContact N-O 2.86Å; Q568-E586 WeakPolarHBondContact O-CA 3.26Å; Q568-M587 PolarHBondContact O-N 2.95Å |
| 569 | P | 95.8 | Very high | 93.8 | Very high | 24 Ų | 24 | 48.6 Ų | 48.6 | 16% | 0.156 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 129.5 | 178.4 | 31.2 | -35 | 0 | 0 | 0 | 111.3 | K466 N467 I567 M587 | K466-P569 HydrophobicContact CG-CB 4.28Å; K466-P569 HydrophobicContact CG-CG 4.15Å; N467-P569 VanDerWaalsContact C-CG 3.46Å; N467-P569 WeakPolarHBondContact O-CD 3.31Å; N467-P569 VanDerWaalsContact O-CG 3.27Å; N467-P569 WeakPolarHBondContact O-CG 3.34Å; I567-P569 WeakPolarHBondContact O-CD 3.42Å; P569-M587 CarbonylContact C-O 3.57Å; P569-M587 WeakPolarHBondContact CA-O 3.37Å; P569-M587 HydrophobicContact CB-SD 3.88Å |
| 570 | V | 94.7 | Very high | 94 | Very high | 45 Ų | 45 | 53.7 Ų | 53.7 | 27% | 0.273 | 26% | 0.262 | S | S | . | . | trans | -128.3 | 148.8 | 174.7 | -62 | 0 | 0 | 0 | 0 | 111.1 | Q568 F572 E586 M587 S588 | Q568-V570 PolarHBondContact O-N 3.48Å; V570-F572 PolarHBondContact O-N 3.4Å; V570-E586 HydrophobicContact CG1-CB 4.19Å; V570-E586 HydrophobicContact CG1-CG 3.99Å; V570-E586 HydrophobicContact CG2-CB 4.02Å; V570-M587 WeakPolarHBondContact CG2-O 3.32Å; V570-M587 PolarHBondContact N-O 3.03Å; V570-S588 PolarHBondContact O-OG 3.3Å | ||
| 571 | K | 92.7 | Very high | 94.1 | Very high | 192 Ų | 192 | 58.2 Ų | 58.2 | 84% | 0.835 | 28% | 0.279 | S | S | * | . | trans | -63.7 | 118.5 | 171.8 | -71.2 | -172 | 177.1 | -175.6 | 0 | 109.1 | K573 | K571-K573 PolarHBondContact O-N 2.99Š| ||
| 572 | F | 94.6 | Very high | 94.2 | Very high | 52 Ų | 52 | 64 Ų | 64 | 23% | 0.228 | 30% | 0.3 | C | S | . | . | trans | -65.1 | 120 | -179.9 | -174.6 | -103.9 | 0 | 0 | 0 | 111.6 | V570 G574 F575 F590 | V570-F572 PolarHBondContact O-N 3.4Å; F572-G574 VanDerWaalsContact CE1-CA 3.46Å; F572-F575 HydrophobicContact CE1-CE2 4.47Å; F572-F575 HydrophobicContact CE1-CZ 4.45Å; F572-F575 AromaticContact CE2-CD1 3.88Å; F572-F575 HydrophobicContact CE2-CD1 3.88Å; F572-F575 AromaticContact CE2-CE1 3.8Å; F572-F575 HydrophobicContact CE2-CE1 3.8Å; F572-F575 HydrophobicContact CE2-CG 4.46Å; F572-F575 HydrophobicContact CE2-CZ 4.33Å; F572-F575 AromaticContact CZ-CD1 3.63Å; F572-F575 HydrophobicContact CZ-CD1 3.63Å; F572-F575 AromaticContact CZ-CD2 3.97Å; F572-F575 HydrophobicContact CZ-CD2 3.97Å; F572-F575 AromaticContact CZ-CE1 3.52Å; F572-F575 HydrophobicContact CZ-CE1 3.52Å; F572-F575 AromaticContact CZ-CE2 3.87Å; F572-F575 HydrophobicContact CZ-CE2 3.87Å; F572-F575 AromaticContact CZ-CG 3.84Å; F572-F575 HydrophobicContact CZ-CG 3.84Å; F572-F575 AromaticContact CZ-CZ 3.64Å; F572-F575 HydrophobicContact CZ-CZ 3.64Å; F572-F590 HydrophobicContact CB-CE1 3.92Å; F572-F590 HydrophobicContact CB-CZ 4.14Å; F572-F590 AromaticContact CD1-CE1 3.8Å; F572-F590 HydrophobicContact CD1-CE1 3.8Å; F572-F590 HydrophobicContact CD1-CZ 4.29Å; F572-F590 HydrophobicContact CD2-CE1 4.08Å; F572-F590 AromaticContact CD2-CZ 3.72Å; F572-F590 HydrophobicContact CD2-CZ 3.72Å; F572-F590 HydrophobicContact CE1-CE1 4.29Å; F572-F590 HydrophobicContact CE2-CZ 4.14Å; F572-F590 AromaticContact CG-CE1 3.66Å; F572-F590 HydrophobicContact CG-CE1 3.66Å; F572-F590 AromaticContact CG-CZ 3.79Å; F572-F590 HydrophobicContact CG-CZ 3.79Å | ||
| 573 | K | 92.4 | Very high | 94.3 | Very high | 168 Ų | 168 | 64.2 Ų | 64.2 | 73% | 0.73 | 30% | 0.295 | S | S | * | . | trans | -107.6 | 21.4 | 179.1 | -68.1 | -166.1 | 175 | -165.1 | 0 | 113.5 | K571 N577 | K571-K573 PolarHBondContact O-N 2.99Å; K573-N577 HydrophobicContact CB-CB 3.93Å | ||
| 574 | G | 92.9 | Very high | 94.4 | Very high | 26 Ų | 26 | 64.8 Ų | 64.8 | 27% | 0.268 | 30% | 0.298 | S | S | . | . | trans | 94.8 | 156.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | F572 D576 N577 A578 | F572-G574 VanDerWaalsContact CE1-CA 3.46Å; G574-D576 PolarHBondContact O-N 2.97Å; G574-N577 WeakPolarHBondContact O-CB 3.37Å; G574-N577 PolarHBondContact O-N 3.42Å; G574-N577 VanDerWaalsContact O-N 3.11Å; G574-A578 PolarHBondContact O-N 3.25Å | ||
| 575 | F | 94.3 | Very high | 94.4 | Very high | 26 Ų | 26 | 65.6 Ų | 65.6 | 11% | 0.114 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.1 | -39.5 | -172.8 | -66.2 | -66.7 | 0 | 0 | 0 | 113 | F572 N577 A578 L579 I598 F602 E605 C606 Y609 | F572-F575 HydrophobicContact CE1-CE2 4.47Å; F572-F575 HydrophobicContact CE1-CZ 4.45Å; F572-F575 AromaticContact CE2-CD1 3.88Å; F572-F575 HydrophobicContact CE2-CD1 3.88Å; F572-F575 AromaticContact CE2-CE1 3.8Å; F572-F575 HydrophobicContact CE2-CE1 3.8Å; F572-F575 HydrophobicContact CE2-CG 4.46Å; F572-F575 HydrophobicContact CE2-CZ 4.33Å; F572-F575 AromaticContact CZ-CD1 3.63Å; F572-F575 HydrophobicContact CZ-CD1 3.63Å; F572-F575 AromaticContact CZ-CD2 3.97Å; F572-F575 HydrophobicContact CZ-CD2 3.97Å; F572-F575 AromaticContact CZ-CE1 3.52Å; F572-F575 HydrophobicContact CZ-CE1 3.52Å; F572-F575 AromaticContact CZ-CE2 3.87Å; F572-F575 HydrophobicContact CZ-CE2 3.87Å; F572-F575 AromaticContact CZ-CG 3.84Å; F572-F575 HydrophobicContact CZ-CG 3.84Å; F572-F575 AromaticContact CZ-CZ 3.64Å; F572-F575 HydrophobicContact CZ-CZ 3.64Å; F575-N577 PolarHBondContact O-N 3.48Å; F575-A578 PolarHBondContact O-N 3.35Å; F575-L579 WeakPolarHBondContact O-CB 3.47Å; F575-L579 PolarHBondContact O-N 3.47Å; F575-I598 HydrophobicContact CE2-CG2 4.08Å; F575-I598 HydrophobicContact CZ-CG2 3.74Å; F575-F602 HydrophobicContact CD2-CB 4.07Å; F575-F602 HydrophobicContact CD2-CG 4.46Å; F575-F602 HydrophobicContact CE2-CB 3.68Å; F575-F602 HydrophobicContact CE2-CG 4.32Å; F575-E605 HydrophobicContact CB-CB 3.93Å; F575-E605 HydrophobicContact CD1-CB 4.35Å; F575-E605 HydrophobicContact CD2-CB 3.54Å; F575-E605 HydrophobicContact CE2-CB 4.16Å; F575-E605 HydrophobicContact CG-CB 3.66Å; F575-C606 HydrophobicContact CE1-CB 4.08Å; F575-C606 HydrophobicContact CE2-CB 4.38Å; F575-C606 HydrophobicContact CZ-CB 3.64Å; F575-Y609 HydrophobicContact CD1-CD2 4.32Å; F575-Y609 HydrophobicContact CD1-CG 4.14Å; F575-Y609 HydrophobicContact CE1-CD1 4.48Å; F575-Y609 HydrophobicContact CE1-CG 4.05Å |
| 576 | D | 93.2 | Very high | 94.5 | Very high | 116 Ų | 116 | 65.7 Ų | 65.7 | 62% | 0.62 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -62.2 | -25.6 | 175 | -59.1 | -57.5 | 0 | 0 | 0 | 113.4 | G574 R580 | G574-D576 PolarHBondContact O-N 2.97Å; D576-R580 VanDerWaalsContact O-CB 3.29Å; D576-R580 WeakPolarHBondContact O-CB 3.35Å; D576-R580 VanDerWaalsContact O-CG 3.25Å; D576-R580 WeakPolarHBondContact O-CG 3.16Å; D576-R580 PolarHBondContact O-N 3.09Å; D576-R580 PolarHBondContact O-NE 2.94Å |
| 577 | N | 93.6 | Very high | 94.5 | Very high | 50 Ų | 50 | 65.5 Ų | 65.5 | 27% | 0.267 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -75.6 | -45.9 | 175.6 | -165.6 | -98.1 | 0 | 0 | 0 | 110.5 | K573 G574 F575 R580 R581 | K573-N577 HydrophobicContact CB-CB 3.93Å; G574-N577 WeakPolarHBondContact O-CB 3.37Å; G574-N577 PolarHBondContact O-N 3.42Å; G574-N577 VanDerWaalsContact O-N 3.11Å; F575-N577 PolarHBondContact O-N 3.48Å; N577-R580 PolarHBondContact O-N 2.96Å; N577-R581 WeakPolarHBondContact O-CB 3.23Å; N577-R581 VanDerWaalsContact O-CG 3.22Å; N577-R581 WeakPolarHBondContact O-CG 3.45Å; N577-R581 PolarHBondContact O-N 3.48Å; N577-R581 VanDerWaalsContact OD1-CD 3.3Å; N577-R581 WeakPolarHBondContact OD1-CD 3.28Å |
| 578 | A | 92.9 | Very high | 94.5 | Very high | 11 Ų | 11 | 65.7 Ų | 65.7 | 9% | 0.091 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.3 | -47.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | G574 F575 R580 R581 R582 Y609 | G574-A578 PolarHBondContact O-N 3.25Å; F575-A578 PolarHBondContact O-N 3.35Å; A578-R580 VanDerWaalsContact C-N 3.33Å; A578-R580 PolarHBondContact O-N 3.36Å; A578-R581 PolarHBondContact O-N 2.88Å; A578-R581 VanDerWaalsContact O-N 3.1Å; A578-R582 PolarHBondContact O-N 3.38Å; A578-Y609 HydrophobicContact CB-CD2 3.88Å; A578-Y609 HydrophobicContact CB-CE2 3.9Å |
| 579 | L | 91.2 | Very high | 94.5 | Very high | 117 Ų | 117 | 66.2 Ų | 66.2 | 61% | 0.613 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -63.2 | -34.4 | 178.5 | -175.9 | 61.5 | 0 | 0 | 0 | 112.9 | F575 R582 | F575-L579 WeakPolarHBondContact O-CB 3.47Å; F575-L579 PolarHBondContact O-N 3.47Å; L579-R582 VanDerWaalsContact O-CG 3.23Å; L579-R582 WeakPolarHBondContact O-CG 3.49Å |
| 580 | R | 93.1 | Very high | 94.6 | Very high | 182 Ų | 182 | 65.4 Ų | 65.4 | 69% | 0.687 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -73.6 | -31.7 | 172.1 | -79.3 | 179.9 | -73.9 | 173.4 | -8.1 | 113.4 | D576 N577 A578 | D576-R580 VanDerWaalsContact O-CB 3.29Å; D576-R580 WeakPolarHBondContact O-CB 3.35Å; D576-R580 VanDerWaalsContact O-CG 3.25Å; D576-R580 WeakPolarHBondContact O-CG 3.16Å; D576-R580 PolarHBondContact O-N 3.09Å; D576-R580 PolarHBondContact O-NE 2.94Å; N577-R580 PolarHBondContact O-N 2.96Å; A578-R580 VanDerWaalsContact C-N 3.33Å; A578-R580 PolarHBondContact O-N 3.36Å |
| 581 | R | 92.9 | Very high | 94.7 | Very high | 96 Ų | 96 | 63.4 Ų | 63.4 | 36% | 0.362 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -76.9 | -30.6 | -180 | -73 | 172 | 72.2 | 84.5 | -1.2 | 113.6 | N577 A578 R583 E586 | N577-R581 WeakPolarHBondContact O-CB 3.23Å; N577-R581 VanDerWaalsContact O-CG 3.22Å; N577-R581 WeakPolarHBondContact O-CG 3.45Å; N577-R581 PolarHBondContact O-N 3.48Å; N577-R581 VanDerWaalsContact OD1-CD 3.3Å; N577-R581 WeakPolarHBondContact OD1-CD 3.28Å; A578-R581 PolarHBondContact O-N 2.88Å; A578-R581 VanDerWaalsContact O-N 3.1Å; R581-R583 WeakPolarHBondContact O-CG 3.5Å; R581-R583 PolarHBondContact O-N 3.26Å; R581-R583 VanDerWaalsContact O-N 3.13Å; R581-E586 IonicContact CZ-OE1 2.68Å; R581-E586 IonicContact CZ-OE2 3.81Å; R581-E586 VanDerWaalsContact CZ-OE2 3.31Å; R581-E586 IonicContact NE-OE1 2.68Å; R581-E586 IonicContact NE-OE2 3.37Å; R581-E586 PolarHBondContact NE-OE2 3.39Å; R581-E586 VanDerWaalsContact NH2-CD 3.29Å; R581-E586 IonicContact NH2-OE1 3.65Å; R581-E586 PolarHBondContact NH2-OE1 3.02Å; R581-E586 IonicContact NH2-OE2 3.31Å; R581-E586 PolarHBondContact NH2-OE2 2.86Å |
| 582 | R | 92.7 | Very high | 94.8 | Very high | 125 Ų | 125 | 54.7 Ų | 54.7 | 47% | 0.472 | 25% | 0.253 | S | S | . | . | trans | 54 | 28.7 | 175.5 | -51.8 | -168.1 | -172.1 | -176.6 | 1.9 | 115.8 | Q449 D450 A578 L579 | Q449-R582 HydrophobicContact CB-CB 4.44Å; D450-R582 PolarHBondContact N-O 3.37Å; D450-R582 WeakPolarHBondContact OD2-CD 3.25Å; D450-R582 IonicContact OD2-CZ 3.56Å; D450-R582 IonicContact OD2-NE 3.98Å; D450-R582 IonicContact OD2-NH1 3.77Å; D450-R582 PolarHBondContact OD2-NH1 2.91Å; A578-R582 PolarHBondContact O-N 3.38Å; L579-R582 VanDerWaalsContact O-CG 3.23Å; L579-R582 WeakPolarHBondContact O-CG 3.49Å | ||
| 583 | R | 96.1 | Very high | 94.8 | Very high | 81 Ų | 81 | 54.1 Ų | 54.1 | 31% | 0.306 | 25% | 0.253 | S | S | . | . | trans | -100.3 | 98.3 | -179.6 | -72.5 | 167.5 | 175.1 | -156.2 | -7.4 | 109.9 | Q449 R581 Y585 E586 Q613 | Q449-R583 HydrophobicContact CG-CG 4.4Å; R581-R583 WeakPolarHBondContact O-CG 3.5Å; R581-R583 PolarHBondContact O-N 3.26Å; R581-R583 VanDerWaalsContact O-N 3.13Å; R583-Y585 HydrophobicContact CB-CD1 4.17Å; R583-Y585 HydrophobicContact CB-CE1 3.71Å; R583-Y585 HydrophobicContact CB-CE2 4.48Å; R583-Y585 VanDerWaalsContact CD-OH 3.28Å; R583-Y585 WeakPolarHBondContact CD-OH 3.31Å; R583-Y585 HydrophobicContact CG-CE1 3.73Å; R583-Y585 PolarHBondContact NE-OH 3.16Å; R583-Y585 PolarHBondContact O-N 3.45Å; R583-E586 HydrophobicContact CB-CB 4.16Å; R583-E586 HydrophobicContact CB-CG 3.8Å; R583-E586 WeakPolarHBondContact CD-OE1 3.34Å; R583-E586 IonicContact CZ-OE1 2.71Å; R583-E586 IonicContact NE-OE1 3.44Å; R583-E586 IonicContact NH1-OE1 3.58Å; R583-E586 PolarHBondContact NH1-OE1 3.02Å; R583-E586 PolarHBondContact O-N 2.93Å; R583-Q613 PolarHBondContact O-NE2 3.33Å | ||
| 584 | H | 96.3 | Very high | 95 | Very high | 11 Ų | 11 | 49.8 Ų | 49.8 | 5% | 0.051 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -21.2 | -175.5 | -57.7 | 147.6 | 0 | 0 | 0 | 113.4 | D450 T451 L453 K612 | D450-H584 VanDerWaalsContact C-CE1 3.48Å; D450-H584 PolarHBondContact O-CE1 3.02Å; D450-H584 PolarHBondContact O-ND1 3.09Å; T451-H584 VanDerWaalsContact C-ND1 3.35Å; T451-H584 WeakPolarHBondContact O-CB 3.32Å; T451-H584 PolarHBondContact O-ND1 3.45Å; L453-H584 HydrophobicContact CG-CB 4.39Å; H584-K612 WeakPolarHBondContact CB-O 3.46Å; H584-K612 WeakPolarHBondContact NE2-CD 3.42Å; H584-K612 PolarHBondContact NE2-NZ 2.9Å |
| 585 | Y | 96.5 | Very high | 95.1 | Very high | 21 Ų | 21 | 48.7 Ų | 48.7 | 8% | 0.082 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -11.5 | 173.3 | 65.4 | -92.2 | 0 | 0 | 0 | 114.8 | L447 Y566 Q568 R583 | L447-Y585 VanDerWaalsContact C-CE1 3.46Å; L447-Y585 HydrophobicContact CB-CD1 4.23Å; L447-Y585 HydrophobicContact CB-CE1 4.13Å; L447-Y585 HydrophobicContact CD2-CD1 4.18Å; L447-Y585 HydrophobicContact CD2-CD2 4.38Å; L447-Y585 HydrophobicContact CD2-CG 3.92Å; L447-Y585 WeakPolarHBondContact O-CE1 3.36Å; L447-Y585 PolarHBondContact O-OH 2.83Å; Y566-Y585 WeakPolarHBondContact O-CA 3.48Å; Q568-Y585 HydrophobicContact CB-CD2 4.24Å; Q568-Y585 WeakPolarHBondContact CB-O 3.13Å; Q568-Y585 PolarHBondContact N-O 2.86Å; R583-Y585 HydrophobicContact CB-CD1 4.17Å; R583-Y585 HydrophobicContact CB-CE1 3.71Å; R583-Y585 HydrophobicContact CB-CE2 4.48Å; R583-Y585 VanDerWaalsContact CD-OH 3.28Å; R583-Y585 WeakPolarHBondContact CD-OH 3.31Å; R583-Y585 HydrophobicContact CG-CE1 3.73Å; R583-Y585 PolarHBondContact NE-OH 3.16Å; R583-Y585 PolarHBondContact O-N 3.45Å |
| 586 | E | 97.3 | Very high | 95.2 | Very high | 3 Ų | 3 | 49.7 Ų | 49.7 | 1% | 0.014 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 128.1 | 171.5 | -69.8 | -176.7 | 175.8 | 0 | 0 | 109.4 | Q568 V570 R581 R583 Q613 | Q568-E586 WeakPolarHBondContact O-CA 3.26Å; V570-E586 HydrophobicContact CG1-CB 4.19Å; V570-E586 HydrophobicContact CG1-CG 3.99Å; V570-E586 HydrophobicContact CG2-CB 4.02Å; R581-E586 IonicContact CZ-OE1 2.68Å; R581-E586 IonicContact CZ-OE2 3.81Å; R581-E586 VanDerWaalsContact CZ-OE2 3.31Å; R581-E586 IonicContact NE-OE1 2.68Å; R581-E586 IonicContact NE-OE2 3.37Å; R581-E586 PolarHBondContact NE-OE2 3.39Å; R581-E586 VanDerWaalsContact NH2-CD 3.29Å; R581-E586 IonicContact NH2-OE1 3.65Å; R581-E586 PolarHBondContact NH2-OE1 3.02Å; R581-E586 IonicContact NH2-OE2 3.31Å; R581-E586 PolarHBondContact NH2-OE2 2.86Å; R583-E586 HydrophobicContact CB-CB 4.16Å; R583-E586 HydrophobicContact CB-CG 3.8Å; R583-E586 WeakPolarHBondContact CD-OE1 3.34Å; R583-E586 IonicContact CZ-OE1 2.71Å; R583-E586 IonicContact NE-OE1 3.44Å; R583-E586 IonicContact NH1-OE1 3.58Å; R583-E586 PolarHBondContact NH1-OE1 3.02Å; R583-E586 PolarHBondContact O-N 2.93Å; E586-Q613 PolarHBondContact O-NE2 3.28Å |
| 587 | M | 97.4 | Very high | 95.3 | Very high | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 163.4 | -176.1 | 70.5 | 77.3 | 67.1 | 0 | 0 | 111.8 | K466 I567 Q568 P569 V570 L614 R616 M641 | K466-M587 HydrophobicContact CG-SD 4.29Å; I567-M587 HydrophobicContact CG2-CG 3.91Å; Q568-M587 PolarHBondContact O-N 2.95Å; P569-M587 CarbonylContact C-O 3.57Å; P569-M587 WeakPolarHBondContact CA-O 3.37Å; P569-M587 HydrophobicContact CB-SD 3.88Å; V570-M587 WeakPolarHBondContact CG2-O 3.32Å; V570-M587 PolarHBondContact N-O 3.03Å; M587-L614 WeakPolarHBondContact CA-O 3.38Å; M587-L614 HydrophobicContact CB-CB 3.88Å; M587-L614 VanDerWaalsContact CB-O 3.3Å; M587-L614 WeakPolarHBondContact CB-O 3.29Å; M587-R616 HydrophobicContact CE-CB 3.92Å; M587-M641 HydrophobicContact CE-CE 3.72Å |
| 588 | S | 97.4 | Very high | 95.3 | Very high | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 142.9 | 176.3 | -68.1 | 0 | 0 | 0 | 0 | 113.1 | V570 F590 Y609 L614 S615 R616 | V570-S588 PolarHBondContact O-OG 3.3Å; S588-F590 WeakPolarHBondContact O-CE2 3.49Å; S588-Y609 PolarHBondContact N-OH 3.41Å; S588-L614 PolarHBondContact N-O 2.92Å; S588-S615 WeakPolarHBondContact O-CA 3.23Å; S588-R616 PolarHBondContact O-N 3.38Å |
| 589 | S | 97.1 | Very high | 95.3 | Very high | 39 Ų | 39 | 48.4 Ų | 48.4 | 27% | 0.273 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 143.2 | 169.5 | -62.6 | 0 | 0 | 0 | 0 | 110.9 | R616 | S589-R616 CarbonylContact C-O 3.49Å; S589-R616 VanDerWaalsContact CA-O 3.29Å; S589-R616 WeakPolarHBondContact CA-O 3.47Å |
| 590 | F | 97.1 | Very high | 95.3 | Very high | 7 Ų | 7 | 50.1 Ų | 50.1 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 130.2 | -179.4 | -54.3 | -92.6 | 0 | 0 | 0 | 110.7 | F572 S588 K594 A595 I598 R616 I617 Y618 | F572-F590 HydrophobicContact CB-CE1 3.92Å; F572-F590 HydrophobicContact CB-CZ 4.14Å; F572-F590 AromaticContact CD1-CE1 3.8Å; F572-F590 HydrophobicContact CD1-CE1 3.8Å; F572-F590 HydrophobicContact CD1-CZ 4.29Å; F572-F590 HydrophobicContact CD2-CE1 4.08Å; F572-F590 AromaticContact CD2-CZ 3.72Å; F572-F590 HydrophobicContact CD2-CZ 3.72Å; F572-F590 HydrophobicContact CE1-CE1 4.29Å; F572-F590 HydrophobicContact CE2-CZ 4.14Å; F572-F590 AromaticContact CG-CE1 3.66Å; F572-F590 HydrophobicContact CG-CE1 3.66Å; F572-F590 AromaticContact CG-CZ 3.79Å; F572-F590 HydrophobicContact CG-CZ 3.79Å; S588-F590 WeakPolarHBondContact O-CE2 3.49Å; F590-K594 HydrophobicContact CD1-CD 4.23Å; F590-K594 HydrophobicContact CD1-CG 4.35Å; F590-A595 HydrophobicContact CB-CB 4.21Å; F590-I598 HydrophobicContact CD1-CD1 3.52Å; F590-I598 HydrophobicContact CE1-CD1 3.41Å; F590-I598 VanDerWaalsContact CE1-CD1 3.41Å; F590-I598 HydrophobicContact CG-CD1 4.38Å; F590-I598 HydrophobicContact CZ-CD1 4.21Å; F590-R616 PolarHBondContact N-O 3.18Å; F590-I617 HydrophobicContact CB-CD1 4.06Å; F590-I617 HydrophobicContact CD2-CD1 4.05Å; F590-I617 HydrophobicContact CG-CD1 4.45Å; F590-I617 WeakPolarHBondContact O-CA 3.25Å; F590-Y618 VanDerWaalsContact O-CD1 3.22Å; F590-Y618 WeakPolarHBondContact O-CD1 3.34Å; F590-Y618 PolarHBondContact O-N 3.47Å |
| 591 | V | 96.8 | Very high | 95.4 | Very high | 4 Ų | 4 | 45.3 Ų | 45.3 | 2% | 0.024 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 149.7 | 167.3 | 69.8 | 0 | 0 | 0 | 0 | 110 | E547 T593 K594 A595 Y618 K620 | E547-V591 HydrophobicContact CG-CB 4.01Å; E547-V591 HydrophobicContact CG-CG1 3.59Å; V591-T593 PolarHBondContact O-N 3.09Å; V591-K594 HydrophobicContact CG1-CB 3.89Å; V591-K594 PolarHBondContact O-N 2.83Å; V591-K594 VanDerWaalsContact O-N 3.11Å; V591-A595 PolarHBondContact O-N 3.41Å; V591-Y618 CarbonylContact C-O 3.53Å; V591-Y618 HydrophobicContact CB-CE1 4.32Å; V591-Y618 HydrophobicContact CB-CE2 4.01Å; V591-Y618 HydrophobicContact CG2-CE2 4.08Å; V591-K620 HydrophobicContact CG2-CB 3.64Å |
| 592 | E | 95.4 | Very high | 95.4 | Very high | 9 Ų | 9 | 45.2 Ų | 45.2 | 4% | 0.042 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -52.3 | -34.1 | -172 | 81.5 | -176.7 | -133.8 | 0 | 0 | 114.4 | A595 I596 Y618 P619 K620 R623 Y629 | E592-A595 PolarHBondContact O-N 3.36Å; E592-I596 WeakPolarHBondContact O-CB 3.49Å; E592-I596 WeakPolarHBondContact O-CD1 3.48Å; E592-I596 WeakPolarHBondContact O-CG1 3.24Å; E592-I596 PolarHBondContact O-N 2.88Å; E592-Y618 PolarHBondContact N-O 3.41Å; E592-P619 WeakPolarHBondContact OE2-CA 3.3Å; E592-K620 HydrophobicContact CG-CB 4.1Å; E592-K620 HydrophobicContact CG-CD 4.31Å; E592-K620 HydrophobicContact CG-CG 3.96Å; E592-K620 PolarHBondContact OE2-N 3.11Å; E592-R623 IonicContact OE1-CZ 3.65Å; E592-R623 IonicContact OE1-NE 2.73Å; E592-R623 PolarHBondContact OE1-NE 2.64Å; E592-R623 IonicContact OE1-NH2 2.98Å; E592-R623 PolarHBondContact OE1-NH2 2.81Å; E592-R623 WeakPolarHBondContact OE2-CD 3.32Å; E592-R623 IonicContact OE2-CZ 2.81Å; E592-R623 IonicContact OE2-NE 2.77Å; E592-R623 PolarHBondContact OE2-NE 2.89Å; E592-R623 IonicContact OE2-NH2 3.56Å; E592-Y629 HydrophobicContact CB-CD1 4.14Å |
| 593 | T | 95 | Very high | 95.3 | Very high | 40 Ų | 40 | 39.9 Ų | 39.9 | 25% | 0.245 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -74.7 | -39.4 | -177.5 | 37 | 0 | 0 | 0 | 0 | 112.6 | E546 V591 A595 I596 E597 K620 | E546-T593 VanDerWaalsContact OE2-CB 3.26Å; E546-T593 WeakPolarHBondContact OE2-CB 3.48Å; E546-T593 WeakPolarHBondContact OE2-CG2 3.48Å; E546-T593 PolarHBondContact OE2-OG1 3.37Å; V591-T593 PolarHBondContact O-N 3.09Å; T593-A595 VanDerWaalsContact C-N 3.34Å; T593-I596 PolarHBondContact O-N 3.03Å; T593-E597 PolarHBondContact O-N 3.15Å; T593-K620 HydrophobicContact CG2-CD 3.9Å |
| 594 | K | 95.5 | Very high | 95.1 | Very high | 77 Ų | 77 | 40.6 Ų | 40.6 | 34% | 0.335 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -66.7 | -36.1 | 169.8 | -168.3 | 176.4 | -165.9 | 166.8 | 0 | 111.8 | E547 F590 V591 E597 I598 | E547-K594 IonicContact OE1-NZ 2.68Å; E547-K594 PolarHBondContact OE1-NZ 3.09Å; F590-K594 HydrophobicContact CD1-CD 4.23Å; F590-K594 HydrophobicContact CD1-CG 4.35Å; V591-K594 HydrophobicContact CG1-CB 3.89Å; V591-K594 PolarHBondContact O-N 2.83Å; V591-K594 VanDerWaalsContact O-N 3.11Å; K594-E597 PolarHBondContact O-N 3.22Å; K594-I598 WeakPolarHBondContact O-CG1 3.32Å; K594-I598 PolarHBondContact O-N 3.26Å |
| 595 | A | 95.6 | Very high | 94.9 | Very high | 2 Ų | 2 | 43.8 Ų | 43.8 | 2% | 0.017 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.1 | -37.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | F590 V591 E592 T593 L599 I617 F634 | F590-A595 HydrophobicContact CB-CB 4.21Å; V591-A595 PolarHBondContact O-N 3.41Å; E592-A595 PolarHBondContact O-N 3.36Å; T593-A595 VanDerWaalsContact C-N 3.34Å; A595-L599 VanDerWaalsContact O-CB 3.23Å; A595-L599 WeakPolarHBondContact O-CB 3.43Å; A595-L599 PolarHBondContact O-N 3.3Å; A595-I617 HydrophobicContact CB-CD1 3.88Å; A595-I617 HydrophobicContact CB-CG2 3.7Å; A595-F634 HydrophobicContact CB-CD1 4.07Å; A595-F634 HydrophobicContact CB-CE1 3.42Å; A595-F634 VanDerWaalsContact CB-CE1 3.42Å; A595-F634 HydrophobicContact CB-CZ 3.75Å |
| 596 | I | 95.5 | Very high | 94.8 | Very high | 48 Ų | 48 | 43 Ų | 43 | 25% | 0.246 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.1 | -34.5 | 173.7 | -74.9 | 161.7 | 0 | 0 | 0 | 111.6 | E592 T593 K600 F634 | E592-I596 WeakPolarHBondContact O-CB 3.49Å; E592-I596 WeakPolarHBondContact O-CD1 3.48Å; E592-I596 WeakPolarHBondContact O-CG1 3.24Å; E592-I596 PolarHBondContact O-N 2.88Å; T593-I596 PolarHBondContact O-N 3.03Å; I596-K600 HydrophobicContact CG2-CD 4.18Å; I596-K600 WeakPolarHBondContact O-CD 3.2Å; I596-K600 VanDerWaalsContact O-CG 3.25Å; I596-K600 WeakPolarHBondContact O-CG 3.5Å; I596-K600 PolarHBondContact O-N 2.99Å; I596-K600 VanDerWaalsContact O-N 3.13Å; I596-F634 HydrophobicContact CG1-CE1 4.2Å; I596-F634 HydrophobicContact CG1-CZ 3.92Å |
| 597 | E | 95.6 | Very high | 94.6 | Very high | 124 Ų | 124 | 43 Ų | 43 | 58% | 0.579 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -64.6 | -49.9 | 172 | -177.3 | 177.6 | -158.9 | 0 | 0 | 111.1 | T593 K594 L599 K600 T601 | T593-E597 PolarHBondContact O-N 3.15Å; K594-E597 PolarHBondContact O-N 3.22Å; E597-L599 VanDerWaalsContact C-N 3.34Å; E597-L599 PolarHBondContact O-N 2.8Å; E597-K600 PolarHBondContact O-N 2.84Å; E597-K600 VanDerWaalsContact O-N 3.14Å; E597-T601 WeakPolarHBondContact O-CB 3.02Å; E597-T601 PolarHBondContact O-N 3.32Å; E597-T601 PolarHBondContact O-OG1 3.45Å; E597-T601 VanDerWaalsContact O-OG1 3.06Å |
| 598 | I | 93.8 | Very high | 94.5 | Very high | 14 Ų | 14 | 45.6 Ų | 45.6 | 7% | 0.072 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.8 | -46.4 | 174 | -72.8 | 167 | 0 | 0 | 0 | 111.4 | F575 F590 K594 K600 T601 F602 C606 | F575-I598 HydrophobicContact CE2-CG2 4.08Å; F575-I598 HydrophobicContact CZ-CG2 3.74Å; F590-I598 HydrophobicContact CD1-CD1 3.52Å; F590-I598 HydrophobicContact CE1-CD1 3.41Å; F590-I598 VanDerWaalsContact CE1-CD1 3.41Å; F590-I598 HydrophobicContact CG-CD1 4.38Å; F590-I598 HydrophobicContact CZ-CD1 4.21Å; K594-I598 WeakPolarHBondContact O-CG1 3.32Å; K594-I598 PolarHBondContact O-N 3.26Å; I598-K600 PolarHBondContact O-N 3Å; I598-T601 PolarHBondContact O-N 2.85Å; I598-F602 CarbonylContact O-C 3.49Å; I598-F602 VanDerWaalsContact O-C 3.3Å; I598-F602 WeakPolarHBondContact O-CA 3.39Å; I598-F602 PolarHBondContact O-N 2.82Å; I598-C606 HydrophobicContact CG2-CB 3.67Å |
| 599 | L | 92.8 | Very high | 94.4 | Very high | 12 Ų | 12 | 46.1 Ų | 46.1 | 6% | 0.063 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59 | -33.4 | 178.1 | 172.7 | 61 | 0 | 0 | 0 | 112.8 | A595 E597 L633 F634 I637 Y685 | A595-L599 VanDerWaalsContact O-CB 3.23Å; A595-L599 WeakPolarHBondContact O-CB 3.43Å; A595-L599 PolarHBondContact O-N 3.3Å; E597-L599 VanDerWaalsContact C-N 3.34Å; E597-L599 PolarHBondContact O-N 2.8Å; L599-L633 HydrophobicContact CD2-CB 4.09Å; L599-F634 HydrophobicContact CD2-CE1 4.37Å; L599-I637 HydrophobicContact CB-CD1 4.07Å; L599-I637 HydrophobicContact CD1-CD1 4.02Å; L599-I637 HydrophobicContact CD1-CG1 4.25Å; L599-I637 HydrophobicContact CD1-CG2 3.6Å; L599-Y685 HydrophobicContact CD1-CE2 4.21Å; L599-Y685 WeakPolarHBondContact CG-OH 3.36Å; L599-Y685 WeakPolarHBondContact O-CE2 3.35Å; L599-Y685 PolarHBondContact O-OH 2.88Å |
| 600 | K | 92.1 | Very high | 94.4 | Very high | 152 Ų | 152 | 44.3 Ų | 44.3 | 66% | 0.661 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -82.8 | -35.1 | 178.8 | -73.9 | 168.7 | 179 | 177.3 | 0 | 113.8 | I596 E597 I598 | I596-K600 HydrophobicContact CG2-CD 4.18Å; I596-K600 WeakPolarHBondContact O-CD 3.2Å; I596-K600 VanDerWaalsContact O-CG 3.25Å; I596-K600 WeakPolarHBondContact O-CG 3.5Å; I596-K600 PolarHBondContact O-N 2.99Å; I596-K600 VanDerWaalsContact O-N 3.13Å; E597-K600 PolarHBondContact O-N 2.84Å; E597-K600 VanDerWaalsContact O-N 3.14Å; I598-K600 PolarHBondContact O-N 3Å |
| 601 | T | 94.3 | Very high | 94.3 | Very high | 81 Ų | 81 | 45 Ų | 45 | 50% | 0.497 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -104.5 | -32.4 | -167 | -46.6 | 0 | 0 | 0 | 0 | 112.8 | E597 I598 | E597-T601 WeakPolarHBondContact O-CB 3.02Å; E597-T601 PolarHBondContact O-N 3.32Å; E597-T601 PolarHBondContact O-OG1 3.45Å; E597-T601 VanDerWaalsContact O-OG1 3.06Å; I598-T601 PolarHBondContact O-N 2.85Å |
| 602 | F | 93.3 | Very high | 94.3 | Very high | 94 Ų | 94 | 48.8 Ų | 48.8 | 41% | 0.412 | 24% | 0.241 | S | C | . | . | trans | -138.5 | 51.8 | -173.1 | -55.4 | -67.6 | 0 | 0 | 0 | 113 | F575 I598 F604 E605 C606 | F575-F602 HydrophobicContact CD2-CB 4.07Å; F575-F602 HydrophobicContact CD2-CG 4.46Å; F575-F602 HydrophobicContact CE2-CB 3.68Å; F575-F602 HydrophobicContact CE2-CG 4.32Å; I598-F602 CarbonylContact O-C 3.49Å; I598-F602 VanDerWaalsContact O-C 3.3Å; I598-F602 WeakPolarHBondContact O-CA 3.39Å; I598-F602 PolarHBondContact O-N 2.82Å; F602-F604 PolarHBondContact O-N 2.92Å; F602-E605 WeakPolarHBondContact CA-OE2 3.39Å; F602-E605 HydrophobicContact CB-CB 4.38Å; F602-C606 VanDerWaalsContact O-CB 3.29Å; F602-C606 WeakPolarHBondContact O-CB 3.46Å; F602-C606 PolarHBondContact O-N 2.78Å; F602-C606 VanDerWaalsContact O-N 3.09Å | ||
| 603 | P | 91.4 | Very high | 94.4 | Very high | 13 Ų | 13 | 48.9 Ų | 48.9 | 8% | 0.084 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.4 | -36 | -175.6 | 25.9 | -33.4 | 0 | 0 | 0 | 113.3 | L607 I637 P684 Y685 | P603-L607 WeakPolarHBondContact O-CB 3.41Å; P603-L607 PolarHBondContact O-N 3Å; P603-L607 VanDerWaalsContact O-N 3.08Å; P603-I637 HydrophobicContact CB-CG2 4.22Å; P603-P684 HydrophobicContact CB-CG 3.76Å; P603-Y685 HydrophobicContact CB-CD2 4.41Å; P603-Y685 HydrophobicContact CB-CE2 4.19Å; P603-Y685 HydrophobicContact CG-CD2 4.4Å; P603-Y685 HydrophobicContact CG-CE2 4.38Å |
| 604 | F | 90.2 | Very high | 94.5 | Very high | 96 Ų | 96 | 47 Ų | 47 | 42% | 0.421 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -70.7 | -44.3 | -177.9 | -64.6 | -84.4 | 0 | 0 | 0 | 111.6 | F602 L607 A608 D683 | F602-F604 PolarHBondContact O-N 2.92Å; F604-L607 PolarHBondContact O-N 2.78Å; F604-A608 WeakPolarHBondContact O-CB 3.45Å; F604-A608 PolarHBondContact O-N 2.85Å; F604-D683 HydrophobicContact CE1-CB 3.54Å; F604-D683 HydrophobicContact CZ-CB 3.61Å |
| 605 | E | 93.8 | Very high | 94.7 | Very high | 79 Ų | 79 | 43.4 Ų | 43.4 | 37% | 0.369 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -69.5 | -38.6 | -178.9 | -55.4 | 89.2 | 152.9 | 0 | 0 | 110.6 | F575 F602 A608 Y609 | F575-E605 HydrophobicContact CB-CB 3.93Å; F575-E605 HydrophobicContact CD1-CB 4.35Å; F575-E605 HydrophobicContact CD2-CB 3.54Å; F575-E605 HydrophobicContact CE2-CB 4.16Å; F575-E605 HydrophobicContact CG-CB 3.66Å; F602-E605 WeakPolarHBondContact CA-OE2 3.39Å; F602-E605 HydrophobicContact CB-CB 4.38Å; E605-A608 PolarHBondContact O-N 3.13Å; E605-Y609 VanDerWaalsContact O-CB 3.31Å; E605-Y609 WeakPolarHBondContact O-CB 3.49Å; E605-Y609 PolarHBondContact O-N 2.84Å |
| 606 | C | 94.4 | Very high | 94.8 | Very high | 4 Ų | 4 | 43.5 Ų | 43.5 | 3% | 0.027 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.5 | -43.5 | 172.5 | -164.9 | 0 | 0 | 0 | 0 | 112 | F575 I598 F602 Y609 N610 I637 | F575-C606 HydrophobicContact CE1-CB 4.08Å; F575-C606 HydrophobicContact CE2-CB 4.38Å; F575-C606 HydrophobicContact CZ-CB 3.64Å; I598-C606 HydrophobicContact CG2-CB 3.67Å; F602-C606 VanDerWaalsContact O-CB 3.29Å; F602-C606 WeakPolarHBondContact O-CB 3.46Å; F602-C606 PolarHBondContact O-N 2.78Å; F602-C606 VanDerWaalsContact O-N 3.09Å; C606-Y609 PolarHBondContact O-N 3.43Å; C606-N610 WeakPolarHBondContact O-CB 3.2Å; C606-N610 VanDerWaalsContact O-CG 3.3Å; C606-N610 PolarHBondContact O-N 3.37Å; C606-N610 PolarHBondContact O-ND2 3.13Å; C606-I637 HydrophobicContact CB-CD1 4.48Å |
| 607 | L | 93.3 | Very high | 95 | Very high | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.7 | -41.5 | 174.6 | -177.2 | 67.5 | 0 | 0 | 0 | 112 | P603 F604 N610 K611 M675 F682 | P603-L607 WeakPolarHBondContact O-CB 3.41Å; P603-L607 PolarHBondContact O-N 3Å; P603-L607 VanDerWaalsContact O-N 3.08Å; F604-L607 PolarHBondContact O-N 2.78Å; L607-N610 PolarHBondContact O-N 2.94Å; L607-K611 PolarHBondContact O-N 3.02Å; L607-M675 HydrophobicContact CD1-CB 4.16Å; L607-M675 HydrophobicContact CD1-CE 3.63Å; L607-M675 HydrophobicContact CD1-CG 4.37Å; L607-F682 HydrophobicContact CD2-CB 3.9Å; L607-F682 HydrophobicContact CD2-CD1 3.69Å; L607-F682 HydrophobicContact CD2-CG 4.3Å |
| 608 | A | 93.4 | Very high | 95.1 | Very high | 56 Ų | 56 | 36.6 Ų | 36.6 | 46% | 0.463 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -64.8 | -41 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | F604 E605 K611 | F604-A608 WeakPolarHBondContact O-CB 3.45Å; F604-A608 PolarHBondContact O-N 2.85Å; E605-A608 PolarHBondContact O-N 3.13Å; A608-K611 PolarHBondContact O-N 2.86Å |
| 609 | Y | 95.7 | Very high | 95.2 | Very high | 15 Ų | 15 | 36 Ų | 36 | 6% | 0.059 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.6 | -48.9 | 170.3 | 170.4 | -89.3 | 0 | 0 | 0 | 111.2 | F575 A578 S588 E605 C606 K611 K612 Q613 L614 | F575-Y609 HydrophobicContact CD1-CD2 4.32Å; F575-Y609 HydrophobicContact CD1-CG 4.14Å; F575-Y609 HydrophobicContact CE1-CD1 4.48Å; F575-Y609 HydrophobicContact CE1-CG 4.05Å; A578-Y609 HydrophobicContact CB-CD2 3.88Å; A578-Y609 HydrophobicContact CB-CE2 3.9Å; S588-Y609 PolarHBondContact N-OH 3.41Å; E605-Y609 VanDerWaalsContact O-CB 3.31Å; E605-Y609 WeakPolarHBondContact O-CB 3.49Å; E605-Y609 PolarHBondContact O-N 2.84Å; C606-Y609 PolarHBondContact O-N 3.43Å; Y609-K611 PolarHBondContact O-N 3.45Å; Y609-K611 VanDerWaalsContact O-N 3.09Å; Y609-K612 PolarHBondContact O-N 2.7Å; Y609-Q613 HydrophobicContact CD1-CB 4.37Å; Y609-Q613 HydrophobicContact CD2-CB 4.02Å; Y609-Q613 HydrophobicContact CE1-CB 3.94Å; Y609-Q613 HydrophobicContact CE2-CB 3.57Å; Y609-Q613 VanDerWaalsContact CE2-CD 3.44Å; Y609-Q613 HydrophobicContact CE2-CG 4.11Å; Y609-Q613 HydrophobicContact CG-CB 4.39Å; Y609-Q613 PolarHBondContact O-N 2.82Å; Y609-L614 PolarHBondContact OH-O 3.02Å |
| 610 | N | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.6 | -4.6 | -178.9 | -75.7 | -33.1 | 0 | 0 | 0 | 114.8 | C606 L607 S615 I637 C639 Q640 K671 | C606-N610 WeakPolarHBondContact O-CB 3.2Å; C606-N610 VanDerWaalsContact O-CG 3.3Å; C606-N610 PolarHBondContact O-N 3.37Å; C606-N610 PolarHBondContact O-ND2 3.13Å; L607-N610 PolarHBondContact O-N 2.94Å; N610-S615 WeakPolarHBondContact OD1-CB 3.39Å; N610-S615 PolarHBondContact OD1-OG 3.23Å; N610-I637 PolarHBondContact ND2-O 3.39Å; N610-C639 PolarHBondContact ND2-N 3.39Å; N610-C639 PolarHBondContact ND2-SG 3.15Å; N610-Q640 PolarHBondContact O-NE2 3.12Å; N610-Q640 PolarHBondContact OD1-OE1 2.84Å; N610-K671 PolarHBondContact O-NZ 3.29Å |
| 611 | K | 95.8 | Very high | 95 | Very high | 22 Ų | 22 | 32.6 Ų | 32.6 | 10% | 0.096 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -75.8 | -30.5 | 166.6 | -71.6 | 173.2 | -176.5 | -160.7 | 0 | 112 | H325 L607 A608 Y609 I674 M675 R677 K680 | H325-K611 PolarHBondContact CD2-O 3.36Å; L607-K611 PolarHBondContact O-N 3.02Å; A608-K611 PolarHBondContact O-N 2.86Å; Y609-K611 PolarHBondContact O-N 3.45Å; Y609-K611 VanDerWaalsContact O-N 3.09Å; K611-I674 PolarHBondContact NZ-O 3.47Å; K611-M675 VanDerWaalsContact CG-O 3.29Å; K611-M675 WeakPolarHBondContact CG-O 3.43Å; K611-R677 WeakPolarHBondContact CD-O 3.46Å; K611-R677 WeakPolarHBondContact CE-O 3.48Å; K611-R677 PolarHBondContact NZ-O 2.86Å; K611-K680 PolarHBondContact NZ-O 3.16Å |
| 612 | K | 95.6 | Very high | 94.8 | Very high | 84 Ų | 84 | 32.7 Ų | 32.7 | 37% | 0.365 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -114.2 | -38.2 | -168.7 | -80.9 | -177.4 | 157.6 | -132.7 | 0 | 113.8 | D450 H584 Y609 | D450-K612 IonicContact OD1-NZ 2.71Å; D450-K612 PolarHBondContact OD1-NZ 3.21Å; H584-K612 WeakPolarHBondContact CB-O 3.46Å; H584-K612 WeakPolarHBondContact NE2-CD 3.42Å; H584-K612 PolarHBondContact NE2-NZ 2.9Å; Y609-K612 PolarHBondContact O-N 2.7Å |
| 613 | Q | 97.7 | Very high | 94.7 | Very high | 11 Ų | 11 | 30.4 Ų | 30.4 | 5% | 0.051 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -120.1 | 165.2 | -174.6 | -72.3 | 174.9 | -94.8 | 0 | 0 | 110.7 | R583 E586 Y609 Q640 | R583-Q613 PolarHBondContact O-NE2 3.33Å; E586-Q613 PolarHBondContact O-NE2 3.28Å; Y609-Q613 HydrophobicContact CD1-CB 4.37Å; Y609-Q613 HydrophobicContact CD2-CB 4.02Å; Y609-Q613 HydrophobicContact CE1-CB 3.94Å; Y609-Q613 HydrophobicContact CE2-CB 3.57Å; Y609-Q613 VanDerWaalsContact CE2-CD 3.44Å; Y609-Q613 HydrophobicContact CE2-CG 4.11Å; Y609-Q613 HydrophobicContact CG-CB 4.39Å; Y609-Q613 PolarHBondContact O-N 2.82Å; Q613-Q640 PolarHBondContact O-NE2 3.08Å |
| 614 | L | 98.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | trans | -95.4 | 140 | 178.2 | -66.7 | 172.4 | 0 | 0 | 0 | 111.8 | L323 A324 L453 I567 M587 S588 Y609 Q640 M641 | L323-L614 HydrophobicContact CD2-CD1 4.19Å; A324-L614 HydrophobicContact CB-CD2 4.4Å; L453-L614 HydrophobicContact CD1-CD1 4.02Å; L453-L614 HydrophobicContact CD1-CD2 4.36Å; L453-L614 HydrophobicContact CD1-CG 3.8Å; I567-L614 HydrophobicContact CD1-CD1 3.5Å; I567-L614 VanDerWaalsContact CD1-CD1 3.5Å; M587-L614 WeakPolarHBondContact CA-O 3.38Å; M587-L614 HydrophobicContact CB-CB 3.88Å; M587-L614 VanDerWaalsContact CB-O 3.3Å; M587-L614 WeakPolarHBondContact CB-O 3.29Å; S588-L614 PolarHBondContact N-O 2.92Å; Y609-L614 PolarHBondContact OH-O 3.02Å; L614-Q640 HydrophobicContact CD2-CB 3.93Å; L614-Q640 HydrophobicContact CD2-CG 3.74Å; L614-M641 HydrophobicContact CB-CE 3.73Å; L614-M641 HydrophobicContact CD1-CE 4.02Å; L614-M641 HydrophobicContact CD2-CE 4.41Å; L614-M641 HydrophobicContact CG-CE 4.27Å | ||
| 615 | S | 98.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 141 | 164 | 54.1 | 0 | 0 | 0 | 0 | 111.2 | S588 N610 C639 Q640 M641 | S588-S615 WeakPolarHBondContact O-CA 3.23Å; N610-S615 WeakPolarHBondContact OD1-CB 3.39Å; N610-S615 PolarHBondContact OD1-OG 3.23Å; S615-C639 WeakPolarHBondContact OG-CA 3.19Å; S615-C639 WeakPolarHBondContact OG-CB 3.45Å; S615-C639 PolarHBondContact OG-SG 2.84Å; S615-C639 VanDerWaalsContact OG-SG 3.39Å; S615-Q640 PolarHBondContact OG-OE1 3.27Å; S615-M641 PolarHBondContact O-N 2.85Å; S615-M641 VanDerWaalsContact O-N 3.11Å |
| 616 | R | 98.6 | Very high | 94.7 | Very high | 5 Ų | 5 | 29.6 Ų | 29.6 | 2% | 0.019 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 129.6 | 166.8 | -176.6 | 174.9 | -171.3 | -100.3 | -1.2 | 109.9 | S331 E362 M587 S588 S589 F590 M641 A643 | S331-R616 PolarHBondContact O-NH2 3.1Å; E362-R616 VanDerWaalsContact CD-NH1 3.26Å; E362-R616 IonicContact OE1-CZ 2.82Å; E362-R616 IonicContact OE1-NH1 2.77Å; E362-R616 PolarHBondContact OE1-NH1 3.39Å; E362-R616 IonicContact OE1-NH2 2.64Å; E362-R616 PolarHBondContact OE1-NH2 3.03Å; E362-R616 IonicContact OE2-CZ 3.56Å; E362-R616 VanDerWaalsContact OE2-CZ 3.24Å; E362-R616 IonicContact OE2-NH1 3.19Å; E362-R616 PolarHBondContact OE2-NH1 2.85Å; E362-R616 IonicContact OE2-NH2 2.76Å; E362-R616 PolarHBondContact OE2-NH2 3.37Å; M587-R616 HydrophobicContact CE-CB 3.92Å; S588-R616 PolarHBondContact O-N 3.38Å; S589-R616 CarbonylContact C-O 3.49Å; S589-R616 VanDerWaalsContact CA-O 3.29Å; S589-R616 WeakPolarHBondContact CA-O 3.47Å; F590-R616 PolarHBondContact N-O 3.18Å; R616-M641 CarbonylContact C-O 3.6Å; R616-M641 VanDerWaalsContact CA-O 3.28Å; R616-M641 WeakPolarHBondContact CA-O 3.25Å; R616-M641 HydrophobicContact CB-CB 3.98Å; R616-M641 HydrophobicContact CB-CE 4.37Å; R616-M641 HydrophobicContact CG-CB 3.97Å; R616-A643 VanDerWaalsContact NH2-CB 3.33Å |
| 617 | I | 98.6 | Very high | 94.8 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.015 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 137.2 | 174.2 | -43.7 | -57 | 0 | 0 | 0 | 108.6 | F590 A595 Y629 F634 C639 M641 A643 | F590-I617 HydrophobicContact CB-CD1 4.06Å; F590-I617 HydrophobicContact CD2-CD1 4.05Å; F590-I617 HydrophobicContact CG-CD1 4.45Å; F590-I617 WeakPolarHBondContact O-CA 3.25Å; A595-I617 HydrophobicContact CB-CD1 3.88Å; A595-I617 HydrophobicContact CB-CG2 3.7Å; I617-Y629 PolarHBondContact O-OH 3.34Å; I617-F634 HydrophobicContact CB-CD2 4.25Å; I617-F634 HydrophobicContact CB-CG 4.48Å; I617-F634 HydrophobicContact CG1-CB 4.07Å; I617-F634 HydrophobicContact CG1-CD1 4.45Å; I617-F634 HydrophobicContact CG1-CD2 4.3Å; I617-F634 HydrophobicContact CG1-CG 4.02Å; I617-F634 HydrophobicContact CG2-CD2 3.74Å; I617-F634 HydrophobicContact CG2-CE1 4.43Å; I617-F634 HydrophobicContact CG2-CE2 3.62Å; I617-F634 HydrophobicContact CG2-CG 4.18Å; I617-F634 HydrophobicContact CG2-CZ 3.98Å; I617-C639 HydrophobicContact CD1-CB 4.43Å; I617-C639 HydrophobicContact CG1-CB 4.05Å; I617-M641 PolarHBondContact N-O 3.37Å; I617-A643 WeakPolarHBondContact O-CA 3.29Å; I617-A643 VanDerWaalsContact O-CB 3.24Å; I617-A643 WeakPolarHBondContact O-CB 3.34Å; I617-A643 PolarHBondContact O-N 3.39Å |
| 618 | Y | 98.1 | Very high | 95.1 | Very high | 23 Ų | 23 | 31.2 Ų | 31.2 | 9% | 0.09 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 153.7 | 179.3 | 65.9 | -84.2 | 0 | 0 | 0 | 112.9 | F590 V591 E592 | F590-Y618 VanDerWaalsContact O-CD1 3.22Å; F590-Y618 WeakPolarHBondContact O-CD1 3.34Å; F590-Y618 PolarHBondContact O-N 3.47Å; V591-Y618 CarbonylContact C-O 3.53Å; V591-Y618 HydrophobicContact CB-CE1 4.32Å; V591-Y618 HydrophobicContact CB-CE2 4.01Å; V591-Y618 HydrophobicContact CG2-CE2 4.08Å; E592-Y618 PolarHBondContact N-O 3.41Å |
| 619 | P | 97.3 | Very high | 95.3 | Very high | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.019 | 16% | 0.159 | C | C | . | . | trans | -65.7 | 150.4 | -178.2 | -14.1 | 29 | 0 | 0 | 0 | 111.6 | H332 E592 Y629 | H332-P619 HydrophobicContact CB-CG 4.32Å; E592-P619 WeakPolarHBondContact OE2-CA 3.3Å; P619-Y629 HydrophobicContact CB-CD1 4.16Å; P619-Y629 HydrophobicContact CB-CE1 4.24Å; P619-Y629 HydrophobicContact CG-CD1 4.13Å; P619-Y629 HydrophobicContact CG-CE1 3.81Å | ||
| 620 | K | 93.5 | Very high | 95.4 | Very high | 45 Ų | 45 | 29.4 Ų | 29.4 | 20% | 0.196 | 16% | 0.162 | C | C | . | . | trans | -77.7 | 151 | 176.6 | 62.3 | 172.9 | 172.2 | 177.5 | 0 | 113.9 | E546 V591 E592 T593 T622 R623 | E546-K620 HydrophobicContact CB-CB 4.24Å; E546-K620 HydrophobicContact CG-CD 4.43Å; E546-K620 WeakPolarHBondContact OE1-CD 3.49Å; E546-K620 IonicContact OE1-NZ 2.73Å; E546-K620 PolarHBondContact OE1-NZ 3.36Å; E546-K620 IonicContact OE2-NZ 3.17Å; V591-K620 HydrophobicContact CG2-CB 3.64Å; E592-K620 HydrophobicContact CG-CB 4.1Å; E592-K620 HydrophobicContact CG-CD 4.31Å; E592-K620 HydrophobicContact CG-CG 3.96Å; E592-K620 PolarHBondContact OE2-N 3.11Å; T593-K620 HydrophobicContact CG2-CD 3.9Å; K620-T622 HydrophobicContact CD-CG2 4.21Å; K620-T622 WeakPolarHBondContact CD-OG1 3.43Å; K620-T622 VanDerWaalsContact CE-OG1 3.23Å; K620-T622 WeakPolarHBondContact CE-OG1 3.26Å; K620-T622 PolarHBondContact O-N 3.19Å; K620-R623 HydrophobicContact CG-CG 4.37Å; K620-R623 WeakPolarHBondContact O-CB 3.45Å; K620-R623 PolarHBondContact O-N 3.4Å | ||
| 621 | G | 87.1 | Confident | 95.4 | Very high | 47 Ų | 47 | 29.4 Ų | 29.4 | 49% | 0.485 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -13.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116 | E546 R623 | E546-G621 PolarHBondContact O-N 2.69Å; E546-G621 VanDerWaalsContact O-N 3.13Å; G621-R623 PolarHBondContact O-N 2.85Å |
| 622 | T | 88.2 | Confident | 95.5 | Very high | 82 Ų | 82 | 28.7 Ų | 28.7 | 50% | 0.503 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -12.4 | 173.5 | 75.8 | 0 | 0 | 0 | 0 | 113.3 | E546 K620 V624 | E546-T622 HydrophobicContact CG-CG2 4.44Å; K620-T622 HydrophobicContact CD-CG2 4.21Å; K620-T622 WeakPolarHBondContact CD-OG1 3.43Å; K620-T622 VanDerWaalsContact CE-OG1 3.23Å; K620-T622 WeakPolarHBondContact CE-OG1 3.26Å; K620-T622 PolarHBondContact O-N 3.19Å; T622-V624 PolarHBondContact O-N 3.21Å |
| 623 | R | 91.9 | Very high | 95.5 | Very high | 47 Ų | 47 | 28 Ų | 28 | 18% | 0.177 | 16% | 0.159 | C | C | . | . | trans | -83.6 | 57.1 | 178.5 | -67.2 | 168.9 | 170.2 | -82.4 | 6.6 | 111.3 | Q340 E592 K620 G621 D625 S626 S627 N628 | Q340-R623 VanDerWaalsContact CG-O 3.32Å; Q340-R623 WeakPolarHBondContact CG-O 3.5Å; E592-R623 IonicContact OE1-CZ 3.65Å; E592-R623 IonicContact OE1-NE 2.73Å; E592-R623 PolarHBondContact OE1-NE 2.64Å; E592-R623 IonicContact OE1-NH2 2.98Å; E592-R623 PolarHBondContact OE1-NH2 2.81Å; E592-R623 WeakPolarHBondContact OE2-CD 3.32Å; E592-R623 IonicContact OE2-CZ 2.81Å; E592-R623 IonicContact OE2-NE 2.77Å; E592-R623 PolarHBondContact OE2-NE 2.89Å; E592-R623 IonicContact OE2-NH2 3.56Å; K620-R623 HydrophobicContact CG-CG 4.37Å; K620-R623 WeakPolarHBondContact O-CB 3.45Å; K620-R623 PolarHBondContact O-N 3.4Å; G621-R623 PolarHBondContact O-N 2.85Å; R623-D625 PolarHBondContact O-N 3.45Å; R623-D625 VanDerWaalsContact O-N 3.08Å; R623-S626 PolarHBondContact O-N 3.23Å; R623-S627 WeakPolarHBondContact CD-O 3.45Å; R623-S627 PolarHBondContact NH1-O 2.66Å; R623-S627 VanDerWaalsContact NH1-O 3.16Å; R623-S627 PolarHBondContact NH1-OG 2.99Å; R623-N628 PolarHBondContact NH1-O 3.43Å | ||
| 624 | V | 90.3 | Very high | 95.5 | Very high | 68 Ų | 68 | 27.5 Ų | 27.5 | 41% | 0.412 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -17.6 | -175.4 | -62.1 | 0 | 0 | 0 | 0 | 113.6 | Q340 L341 T622 | Q340-V624 PolarHBondContact N-O 3.11Å; L341-V624 HydrophobicContact CD1-CB 3.92Å; L341-V624 HydrophobicContact CD1-CG1 3.81Å; L341-V624 HydrophobicContact CD2-CG1 4.37Å; L341-V624 HydrophobicContact CG-CB 4.04Å; L341-V624 HydrophobicContact CG-CG1 4Å; T622-V624 PolarHBondContact O-N 3.21Å |
| 625 | D | 90.1 | Very high | 95.5 | Very high | 103 Ų | 103 | 28 Ų | 28 | 55% | 0.551 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -0.5 | 174.9 | 65.4 | -13.9 | 0 | 0 | 0 | 114.2 | R623 S627 | R623-D625 PolarHBondContact O-N 3.45Å; R623-D625 VanDerWaalsContact O-N 3.08Å; D625-S627 PolarHBondContact O-N 2.89Å; D625-S627 VanDerWaalsContact OD1-CB 3.24Å; D625-S627 WeakPolarHBondContact OD1-CB 3.47Å; D625-S627 PolarHBondContact OD1-N 3.06Å; D625-S627 PolarHBondContact OD1-OG 2.9Å; D625-S627 WeakPolarHBondContact OD2-CB 3.09Å; D625-S627 PolarHBondContact OD2-OG 2.95Å |
| 626 | S | 95.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | trans | 65.4 | 16.1 | -173 | -55.3 | 0 | 0 | 0 | 0 | 115.1 | V338 G339 Q340 R623 N645 Q647 T648 | V338-S626 PolarHBondContact O-OG 2.84Å; G339-S626 WeakPolarHBondContact CA-OG 3.06Å; Q340-S626 PolarHBondContact NE2-OG 3.13Å; R623-S626 PolarHBondContact O-N 3.23Å; S626-N645 VanDerWaalsContact C-ND2 3.35Å; S626-N645 WeakPolarHBondContact O-CB 3.38Å; S626-N645 PolarHBondContact O-ND2 2.88Å; S626-Q647 PolarHBondContact OG-NE2 3.47Å; S626-T648 WeakPolarHBondContact O-CB 3.22Å; S626-T648 PolarHBondContact O-OG1 3.43Å | ||
| 627 | S | 96.9 | Very high | 95.3 | Very high | 29 Ų | 29 | 28 Ų | 28 | 20% | 0.203 | 16% | 0.159 | C | C | . | . | P | Polyproline II helix | trans | -57.4 | 146.1 | 173.3 | 57.1 | 0 | 0 | 0 | 0 | 113 | R623 D625 N645 | R623-S627 WeakPolarHBondContact CD-O 3.45Å; R623-S627 PolarHBondContact NH1-O 2.66Å; R623-S627 VanDerWaalsContact NH1-O 3.16Å; R623-S627 PolarHBondContact NH1-OG 2.99Å; D625-S627 PolarHBondContact O-N 2.89Å; D625-S627 VanDerWaalsContact OD1-CB 3.24Å; D625-S627 WeakPolarHBondContact OD1-CB 3.47Å; D625-S627 PolarHBondContact OD1-N 3.06Å; D625-S627 PolarHBondContact OD1-OG 2.9Å; D625-S627 WeakPolarHBondContact OD2-CB 3.09Å; D625-S627 PolarHBondContact OD2-OG 2.95Å; S627-N645 PolarHBondContact O-ND2 3.48Å |
| 628 | N | 98.2 | Very high | 95.2 | Very high | 12 Ų | 12 | 27.9 Ų | 27.9 | 6% | 0.064 | 16% | 0.158 | C | C | . | . | P | Polyproline II helix | trans | -95.5 | 161.6 | -178.7 | -71.3 | -56.4 | 0 | 0 | 0 | 114 | R623 L644 N645 T648 D650 P652 | R623-N628 PolarHBondContact NH1-O 3.43Å; N628-L644 HydrophobicContact CB-CD2 4.19Å; N628-N645 PolarHBondContact ND2-O 2.9Å; N628-N645 VanDerWaalsContact ND2-O 3.14Å; N628-N645 WeakPolarHBondContact OD1-CB 3.13Å; N628-N645 PolarHBondContact OD1-N 2.9Å; N628-T648 PolarHBondContact ND2-O 3.14Å; N628-D650 WeakPolarHBondContact CB-OD1 3.5Å; N628-D650 WeakPolarHBondContact CB-OD2 3.3Å; N628-D650 PolarHBondContact N-OD2 3.41Å; N628-D650 PolarHBondContact ND2-OD1 3.08Å; N628-P652 HydrophobicContact CB-CB 3.5Å; N628-P652 VanDerWaalsContact CB-CB 3.5Å; N628-P652 HydrophobicContact CB-CG 3.73Å |
| 629 | Y | 97.8 | Very high | 95.2 | Very high | 9 Ų | 9 | 26.9 Ų | 26.9 | 4% | 0.035 | 15% | 0.154 | C | C | . | . | P | Polyproline II helix | trans | -93.7 | 165.2 | 162.5 | 62.1 | -99.5 | 0 | 0 | 0 | 109.9 | E592 I617 P619 P631 F634 V642 A643 L644 P652 | E592-Y629 HydrophobicContact CB-CD1 4.14Å; I617-Y629 PolarHBondContact O-OH 3.34Å; P619-Y629 HydrophobicContact CB-CD1 4.16Å; P619-Y629 HydrophobicContact CB-CE1 4.24Å; P619-Y629 HydrophobicContact CG-CD1 4.13Å; P619-Y629 HydrophobicContact CG-CE1 3.81Å; Y629-P631 VanDerWaalsContact O-CD 3.3Å; Y629-P631 WeakPolarHBondContact O-CD 3.34Å; Y629-F634 AromaticContact CD2-CD2 3.86Å; Y629-F634 HydrophobicContact CD2-CD2 3.86Å; Y629-F634 AromaticContact CD2-CE2 3.47Å; Y629-F634 HydrophobicContact CD2-CE2 3.47Å; Y629-F634 VanDerWaalsContact CD2-CE2 3.47Å; Y629-F634 AromaticContact CE2-CD2 3.49Å; Y629-F634 HydrophobicContact CE2-CD2 3.49Å; Y629-F634 VanDerWaalsContact CE2-CD2 3.49Å; Y629-F634 AromaticContact CE2-CE2 3.49Å; Y629-F634 HydrophobicContact CE2-CE2 3.49Å; Y629-F634 VanDerWaalsContact CE2-CE2 3.49Å; Y629-F634 HydrophobicContact CG-CE2 4.18Å; Y629-V642 HydrophobicContact CE2-CG1 3.55Å; Y629-V642 WeakPolarHBondContact OH-CG1 3.17Å; Y629-A643 WeakPolarHBondContact CE1-O 3.36Å; Y629-A643 PolarHBondContact OH-N 3.32Å; Y629-A643 VanDerWaalsContact OH-N 3.13Å; Y629-A643 PolarHBondContact OH-O 3.01Å; Y629-L644 HydrophobicContact CD1-CD2 4.45Å; Y629-L644 HydrophobicContact CD2-CD2 4.24Å; Y629-L644 HydrophobicContact CE1-CD2 4.03Å; Y629-L644 HydrophobicContact CE2-CD2 3.8Å; Y629-P652 WeakPolarHBondContact O-CB 2.95Å; Y629-P652 WeakPolarHBondContact O-CG 3.34Å |
| 630 | M | 97.8 | Very high | 95.3 | Very high | 24 Ų | 24 | 26.7 Ų | 26.7 | 12% | 0.118 | 15% | 0.154 | C | C | . | . | trans | -79 | 111.1 | -179.6 | -179.1 | 57 | 49.8 | 0 | 0 | 111.4 | Q632 L633 L651 P652 L655 F722 | M630-Q632 VanDerWaalsContact C-N 3.29Å; M630-Q632 HydrophobicContact CG-CB 4.15Å; M630-Q632 PolarHBondContact O-N 3.28Å; M630-Q632 HydrophobicContact SD-CB 4.39Å; M630-L633 HydrophobicContact CB-CD1 4.15Å; M630-L633 HydrophobicContact CB-CG 4.21Å; M630-L633 HydrophobicContact CG-CG 4.41Å; M630-L633 WeakPolarHBondContact O-CB 3.28Å; M630-L633 WeakPolarHBondContact O-CG 3.28Å; M630-L633 PolarHBondContact O-N 3.39Å; M630-L651 HydrophobicContact CE-CD2 4.18Å; M630-L651 HydrophobicContact CE-CG 4.14Å; M630-P652 HydrophobicContact CE-CG 4.07Å; M630-L655 HydrophobicContact SD-CD2 3.72Å; M630-F722 HydrophobicContact CE-CD1 4.47Å; M630-F722 HydrophobicContact CE-CE1 3.87Å; M630-F722 HydrophobicContact SD-CD1 3.86Å; M630-F722 HydrophobicContact SD-CE1 3.87Å | ||
| 631 | P | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -30.1 | -170.6 | 27.1 | -37.6 | 0 | 0 | 0 | 113.5 | Y629 L633 F634 W635 V642 L644 L655 | Y629-P631 VanDerWaalsContact O-CD 3.3Å; Y629-P631 WeakPolarHBondContact O-CD 3.34Å; P631-L633 PolarHBondContact O-N 2.93Å; P631-F634 PolarHBondContact O-N 3.31Å; P631-W635 HydrophobicContact CB-CD2 4.2Å; P631-W635 HydrophobicContact CB-CE3 4.29Å; P631-W635 HydrophobicContact CB-CH2 3.76Å; P631-W635 HydrophobicContact CB-CZ2 3.65Å; P631-W635 HydrophobicContact CB-CZ3 4.08Å; P631-W635 HydrophobicContact CG-CE3 4.42Å; P631-W635 HydrophobicContact CG-CH2 3.58Å; P631-W635 HydrophobicContact CG-CZ2 4.02Å; P631-W635 HydrophobicContact CG-CZ3 3.82Å; P631-W635 PolarHBondContact O-N 2.83Å; P631-W635 VanDerWaalsContact O-N 3.08Å; P631-V642 HydrophobicContact CB-CG1 3.63Å; P631-L644 HydrophobicContact CB-CD1 4.33Å; P631-L644 HydrophobicContact CG-CD1 4.16Å; P631-L655 HydrophobicContact CG-CD2 4.39Å |
| 632 | Q | 97.4 | Very high | 96.1 | Very high | 7 Ų | 7 | 22.4 Ų | 22.4 | 3% | 0.033 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -49.2 | -34.6 | 175.8 | -169.1 | 71.3 | 57.8 | 0 | 0 | 113.2 | M630 F634 W635 N636 L655 G723 | M630-Q632 VanDerWaalsContact C-N 3.29Å; M630-Q632 HydrophobicContact CG-CB 4.15Å; M630-Q632 PolarHBondContact O-N 3.28Å; M630-Q632 HydrophobicContact SD-CB 4.39Å; Q632-F634 PolarHBondContact O-N 2.89Å; Q632-W635 HydrophobicContact CB-CE3 4.45Å; Q632-W635 PolarHBondContact O-N 2.85Å; Q632-N636 PolarHBondContact NE2-OD1 2.97Å; Q632-N636 WeakPolarHBondContact O-CB 3.23Å; Q632-N636 PolarHBondContact O-N 2.85Å; Q632-N636 PolarHBondContact O-ND2 2.93Å; Q632-N636 PolarHBondContact O-OD1 2.67Å; Q632-N636 VanDerWaalsContact O-OD1 3.13Å; Q632-L655 HydrophobicContact CB-CD2 4.39Å; Q632-G723 WeakPolarHBondContact CG-O 3.27Å |
| 633 | L | 96.3 | Very high | 96.6 | Very high | 69 Ų | 69 | 18.5 Ų | 18.5 | 36% | 0.361 | 10% | 0.098 | S | C | . | . | H | α-helix | trans | -57.5 | -35.6 | 179.3 | -64.1 | 175.1 | 0 | 0 | 0 | 112.5 | L599 M630 P631 | L599-L633 HydrophobicContact CD2-CB 4.09Å; M630-L633 HydrophobicContact CB-CD1 4.15Å; M630-L633 HydrophobicContact CB-CG 4.21Å; M630-L633 HydrophobicContact CG-CG 4.41Å; M630-L633 WeakPolarHBondContact O-CB 3.28Å; M630-L633 WeakPolarHBondContact O-CG 3.28Å; M630-L633 PolarHBondContact O-N 3.39Å; P631-L633 PolarHBondContact O-N 2.93Å |
| 634 | F | 98.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 0% | 0.004 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -97.9 | -28.2 | -177.8 | -53.9 | -57.3 | 0 | 0 | 0 | 112.3 | A595 I596 L599 I617 Y629 P631 Q632 N636 I637 G638 C639 V642 | A595-F634 HydrophobicContact CB-CD1 4.07Å; A595-F634 HydrophobicContact CB-CE1 3.42Å; A595-F634 VanDerWaalsContact CB-CE1 3.42Å; A595-F634 HydrophobicContact CB-CZ 3.75Å; I596-F634 HydrophobicContact CG1-CE1 4.2Å; I596-F634 HydrophobicContact CG1-CZ 3.92Å; L599-F634 HydrophobicContact CD2-CE1 4.37Å; I617-F634 HydrophobicContact CB-CD2 4.25Å; I617-F634 HydrophobicContact CB-CG 4.48Å; I617-F634 HydrophobicContact CG1-CB 4.07Å; I617-F634 HydrophobicContact CG1-CD1 4.45Å; I617-F634 HydrophobicContact CG1-CD2 4.3Å; I617-F634 HydrophobicContact CG1-CG 4.02Å; I617-F634 HydrophobicContact CG2-CD2 3.74Å; I617-F634 HydrophobicContact CG2-CE1 4.43Å; I617-F634 HydrophobicContact CG2-CE2 3.62Å; I617-F634 HydrophobicContact CG2-CG 4.18Å; I617-F634 HydrophobicContact CG2-CZ 3.98Å; Y629-F634 AromaticContact CD2-CD2 3.86Å; Y629-F634 HydrophobicContact CD2-CD2 3.86Å; Y629-F634 AromaticContact CD2-CE2 3.47Å; Y629-F634 HydrophobicContact CD2-CE2 3.47Å; Y629-F634 VanDerWaalsContact CD2-CE2 3.47Å; Y629-F634 AromaticContact CE2-CD2 3.49Å; Y629-F634 HydrophobicContact CE2-CD2 3.49Å; Y629-F634 VanDerWaalsContact CE2-CD2 3.49Å; Y629-F634 AromaticContact CE2-CE2 3.49Å; Y629-F634 HydrophobicContact CE2-CE2 3.49Å; Y629-F634 VanDerWaalsContact CE2-CE2 3.49Å; Y629-F634 HydrophobicContact CG-CE2 4.18Å; P631-F634 PolarHBondContact O-N 3.31Å; Q632-F634 PolarHBondContact O-N 2.89Å; F634-N636 PolarHBondContact O-N 2.9Å; F634-I637 HydrophobicContact CD1-CD1 4.3Å; F634-I637 CarbonylContact O-C 3.58Å; F634-I637 VanDerWaalsContact O-CG1 3.32Å; F634-I637 WeakPolarHBondContact O-CG1 3.16Å; F634-I637 PolarHBondContact O-N 3.01Å; F634-G638 PolarHBondContact O-N 3.01Å; F634-C639 HydrophobicContact CB-CB 4.01Å; F634-C639 WeakPolarHBondContact O-CB 3.36Å; F634-C639 PolarHBondContact O-N 3.42Å; F634-V642 HydrophobicContact CB-CG1 4.25Å; F634-V642 HydrophobicContact CB-CG2 3.89Å; F634-V642 HydrophobicContact CD2-CG1 4.11Å |
| 635 | W | 98.1 | Very high | 97.3 | Very high | 10 Ų | 10 | 13.1 Ų | 13.1 | 4% | 0.038 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -59.7 | -35.1 | 166.1 | -64.3 | -28.8 | 0 | 0 | 0 | 111.9 | F327 P631 Q632 I637 G638 L655 V659 F660 M675 | F327-W635 HydrophobicContact CD1-CB 4.2Å; F327-W635 AromaticContact CD1-CD1 3.42Å; F327-W635 VanDerWaalsContact CD1-CD1 3.42Å; F327-W635 AromaticContact CD1-CG 3.98Å; F327-W635 HydrophobicContact CD1-CG 3.98Å; F327-W635 HydrophobicContact CE1-CB 3.66Å; F327-W635 AromaticContact CE1-CD1 3.76Å; F327-W635 AromaticContact CE1-CG 3.96Å; F327-W635 HydrophobicContact CE1-CG 3.96Å; F327-W635 WeakPolarHBondContact CE1-O 3.41Å; F327-W635 HydrophobicContact CE2-CB 4.41Å; F327-W635 AromaticContact CG-CD1 3.94Å; F327-W635 HydrophobicContact CG-CG 4.38Å; F327-W635 HydrophobicContact CZ-CB 3.77Å; F327-W635 HydrophobicContact CZ-CG 4.33Å; F327-W635 VanDerWaalsContact CZ-O 3.31Å; F327-W635 WeakPolarHBondContact CZ-O 3.41Å; P631-W635 HydrophobicContact CB-CD2 4.2Å; P631-W635 HydrophobicContact CB-CE3 4.29Å; P631-W635 HydrophobicContact CB-CH2 3.76Å; P631-W635 HydrophobicContact CB-CZ2 3.65Å; P631-W635 HydrophobicContact CB-CZ3 4.08Å; P631-W635 HydrophobicContact CG-CE3 4.42Å; P631-W635 HydrophobicContact CG-CH2 3.58Å; P631-W635 HydrophobicContact CG-CZ2 4.02Å; P631-W635 HydrophobicContact CG-CZ3 3.82Å; P631-W635 PolarHBondContact O-N 2.83Å; P631-W635 VanDerWaalsContact O-N 3.08Å; Q632-W635 HydrophobicContact CB-CE3 4.45Å; Q632-W635 PolarHBondContact O-N 2.85Å; W635-I637 VanDerWaalsContact C-N 3.26Å; W635-I637 PolarHBondContact O-N 3.21Å; W635-G638 WeakPolarHBondContact O-CA 3.36Å; W635-G638 PolarHBondContact O-N 3.01Å; W635-L655 HydrophobicContact CZ3-CD2 4.24Å; W635-L655 HydrophobicContact CZ3-CG 4.29Å; W635-V659 HydrophobicContact CH2-CG2 3.69Å; W635-V659 HydrophobicContact CZ2-CG2 4.43Å; W635-V659 HydrophobicContact CZ3-CG2 4.08Å; W635-F660 AromaticContact CZ2-CE2 3.98Å; W635-F660 HydrophobicContact CZ2-CE2 3.98Å; W635-M675 WeakPolarHBondContact O-CE 3.38Å |
| 636 | N | 96.2 | Very high | 97.6 | Very high | 5 Ų | 5 | 8.2 Ų | 8.2 | 3% | 0.027 | 4% | 0.044 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -26.8 | 176 | -68.7 | -9 | 0 | 0 | 0 | 114.3 | Q632 F634 M675 P684 G723 L724 L761 | Q632-N636 PolarHBondContact NE2-OD1 2.97Å; Q632-N636 WeakPolarHBondContact O-CB 3.23Å; Q632-N636 PolarHBondContact O-N 2.85Å; Q632-N636 PolarHBondContact O-ND2 2.93Å; Q632-N636 PolarHBondContact O-OD1 2.67Å; Q632-N636 VanDerWaalsContact O-OD1 3.13Å; F634-N636 PolarHBondContact O-N 2.9Å; N636-M675 WeakPolarHBondContact O-CE 3.49Å; N636-P684 WeakPolarHBondContact O-CB 3.32Å; N636-G723 PolarHBondContact ND2-O 2.81Å; N636-G723 PolarHBondContact OD1-O 3.42Å; N636-L724 HydrophobicContact CB-CD2 4.41Å; N636-L761 WeakPolarHBondContact OD1-CD2 3.24Å |
| 637 | I | 95.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 9.2 Ų | 9.2 | 1% | 0.01 | 5% | 0.048 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 15 | 171.6 | 50.1 | 170.8 | 0 | 0 | 0 | 112.7 | L599 P603 C606 N610 F634 W635 C639 P684 | L599-I637 HydrophobicContact CB-CD1 4.07Å; L599-I637 HydrophobicContact CD1-CD1 4.02Å; L599-I637 HydrophobicContact CD1-CG1 4.25Å; L599-I637 HydrophobicContact CD1-CG2 3.6Å; P603-I637 HydrophobicContact CB-CG2 4.22Å; C606-I637 HydrophobicContact CB-CD1 4.48Å; N610-I637 PolarHBondContact ND2-O 3.39Å; F634-I637 HydrophobicContact CD1-CD1 4.3Å; F634-I637 CarbonylContact O-C 3.58Å; F634-I637 VanDerWaalsContact O-CG1 3.32Å; F634-I637 WeakPolarHBondContact O-CG1 3.16Å; F634-I637 PolarHBondContact O-N 3.01Å; W635-I637 VanDerWaalsContact C-N 3.26Å; W635-I637 PolarHBondContact O-N 3.21Å; I637-C639 VanDerWaalsContact C-N 3.34Å; I637-C639 PolarHBondContact O-N 3.38Å; I637-P684 HydrophobicContact CG2-CB 4.36Å; I637-P684 HydrophobicContact CG2-CG 3.91Å |
| 638 | G | 96.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 5% | 0.048 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | 10.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | F634 W635 Q640 K671 | F634-G638 PolarHBondContact O-N 3.01Å; W635-G638 WeakPolarHBondContact O-CA 3.36Å; W635-G638 PolarHBondContact O-N 3.01Å; G638-Q640 PolarHBondContact O-N 3.37Å; G638-K671 PolarHBondContact O-NZ 2.77Å |
| 639 | C | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 10.9 Ų | 10.9 | 1% | 0.007 | 6% | 0.056 | C | C | . | . | trans | -61.7 | 131.7 | 179 | -60.5 | 0 | 0 | 0 | 0 | 110.6 | F327 N610 S615 I617 F634 I637 V642 | F327-C639 WeakPolarHBondContact CD1-O 3.49Å; N610-C639 PolarHBondContact ND2-N 3.39Å; N610-C639 PolarHBondContact ND2-SG 3.15Å; S615-C639 WeakPolarHBondContact OG-CA 3.19Å; S615-C639 WeakPolarHBondContact OG-CB 3.45Å; S615-C639 PolarHBondContact OG-SG 2.84Å; S615-C639 VanDerWaalsContact OG-SG 3.39Å; I617-C639 HydrophobicContact CD1-CB 4.43Å; I617-C639 HydrophobicContact CG1-CB 4.05Å; F634-C639 HydrophobicContact CB-CB 4.01Å; F634-C639 WeakPolarHBondContact O-CB 3.36Å; F634-C639 PolarHBondContact O-N 3.42Å; I637-C639 VanDerWaalsContact C-N 3.34Å; I637-C639 PolarHBondContact O-N 3.38Å; C639-V642 HydrophobicContact CB-CG2 3.96Å; C639-V642 WeakPolarHBondContact O-CG2 3.34Å | ||
| 640 | Q | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.064 | C | C | . | . | S | Bend | trans | -86.9 | -52.7 | -169.3 | -55.9 | 88.5 | -11.2 | 0 | 0 | 112.2 | A324 Y326 I328 N610 Q613 L614 S615 G638 V642 | A324-Q640 PolarHBondContact O-NE2 2.94Å; Y326-Q640 VanDerWaalsContact O-CB 3.25Å; Y326-Q640 WeakPolarHBondContact O-CB 3.02Å; Y326-Q640 WeakPolarHBondContact O-CG 3.49Å; I328-Q640 HydrophobicContact CD1-CB 4.08Å; I328-Q640 HydrophobicContact CG1-CB 4.14Å; I328-Q640 PolarHBondContact N-O 2.83Å; N610-Q640 PolarHBondContact O-NE2 3.12Å; N610-Q640 PolarHBondContact OD1-OE1 2.84Å; Q613-Q640 PolarHBondContact O-NE2 3.08Å; L614-Q640 HydrophobicContact CD2-CB 3.93Å; L614-Q640 HydrophobicContact CD2-CG 3.74Å; S615-Q640 PolarHBondContact OG-OE1 3.27Å; G638-Q640 PolarHBondContact O-N 3.37Å; Q640-V642 PolarHBondContact O-N 3.48Å |
| 641 | M | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 13.6 Ų | 13.6 | 1% | 0.005 | 7% | 0.072 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 76.4 | -175.6 | -69.9 | 168.8 | -74.2 | 0 | 0 | 111.1 | I328 S330 C360 I409 M587 L614 S615 R616 I617 A643 | I328-M641 HydrophobicContact CB-CG 4.17Å; I328-M641 HydrophobicContact CD1-CG 4.17Å; I328-M641 HydrophobicContact CG2-CG 4.41Å; S330-M641 VanDerWaalsContact OG-CA 3.26Å; S330-M641 WeakPolarHBondContact OG-CA 3.47Å; C360-M641 HydrophobicContact CB-CG 4.19Å; C360-M641 HydrophobicContact CB-SD 4.35Å; I409-M641 HydrophobicContact CD1-SD 3.71Å; I409-M641 HydrophobicContact CG2-SD 4.32Å; M587-M641 HydrophobicContact CE-CE 3.72Å; L614-M641 HydrophobicContact CB-CE 3.73Å; L614-M641 HydrophobicContact CD1-CE 4.02Å; L614-M641 HydrophobicContact CD2-CE 4.41Å; L614-M641 HydrophobicContact CG-CE 4.27Å; S615-M641 PolarHBondContact O-N 2.85Å; S615-M641 VanDerWaalsContact O-N 3.11Å; R616-M641 CarbonylContact C-O 3.6Å; R616-M641 VanDerWaalsContact CA-O 3.28Å; R616-M641 WeakPolarHBondContact CA-O 3.25Å; R616-M641 HydrophobicContact CB-CB 3.98Å; R616-M641 HydrophobicContact CB-CE 4.37Å; R616-M641 HydrophobicContact CG-CB 3.97Å; I617-M641 PolarHBondContact N-O 3.37Å; M641-A643 PolarHBondContact O-N 3.41Å |
| 642 | V | 98.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 14.2 Ų | 14.2 | 1% | 0.006 | 8% | 0.076 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 88.4 | -179 | -176.2 | 0 | 0 | 0 | 0 | 108.8 | Y629 P631 F634 C639 Q640 | Y629-V642 HydrophobicContact CE2-CG1 3.55Å; Y629-V642 WeakPolarHBondContact OH-CG1 3.17Å; P631-V642 HydrophobicContact CB-CG1 3.63Å; F634-V642 HydrophobicContact CB-CG1 4.25Å; F634-V642 HydrophobicContact CB-CG2 3.89Å; F634-V642 HydrophobicContact CD2-CG1 4.11Å; C639-V642 HydrophobicContact CB-CG2 3.96Å; C639-V642 WeakPolarHBondContact O-CG2 3.34Å; Q640-V642 PolarHBondContact O-N 3.48Å |
| 643 | A | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.074 | C | C | . | . | trans | -82.8 | 131.1 | -165.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | S330 H332 R616 I617 Y629 M641 | S330-A643 WeakPolarHBondContact O-CA 3.26Å; H332-A643 HydrophobicContact CB-CB 4.02Å; R616-A643 VanDerWaalsContact NH2-CB 3.33Å; I617-A643 WeakPolarHBondContact O-CA 3.29Å; I617-A643 VanDerWaalsContact O-CB 3.24Å; I617-A643 WeakPolarHBondContact O-CB 3.34Å; I617-A643 PolarHBondContact O-N 3.39Å; Y629-A643 WeakPolarHBondContact CE1-O 3.36Å; Y629-A643 PolarHBondContact OH-N 3.32Å; Y629-A643 VanDerWaalsContact OH-N 3.13Å; Y629-A643 PolarHBondContact OH-O 3.01Å; M641-A643 PolarHBondContact O-N 3.41Å | ||
| 644 | L | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 11.3 Ų | 11.3 | 0% | 0 | 6% | 0.06 | C | C | . | . | B | Isolated β-bridge | trans | -123 | 159.1 | -175.8 | -60.7 | -179.2 | 0 | 0 | 0 | 112.6 | S330 S331 H332 N628 Y629 P631 F646 M653 N656 | S330-L644 PolarHBondContact O-N 2.64Å; S331-L644 CarbonylContact C-O 3.54Å; S331-L644 WeakPolarHBondContact CA-O 3.21Å; H332-L644 PolarHBondContact N-O 3.45Å; N628-L644 HydrophobicContact CB-CD2 4.19Å; Y629-L644 HydrophobicContact CD1-CD2 4.45Å; Y629-L644 HydrophobicContact CD2-CD2 4.24Å; Y629-L644 HydrophobicContact CE1-CD2 4.03Å; Y629-L644 HydrophobicContact CE2-CD2 3.8Å; P631-L644 HydrophobicContact CB-CD1 4.33Å; P631-L644 HydrophobicContact CG-CD1 4.16Å; L644-F646 WeakPolarHBondContact O-CD2 3.28Å; L644-F646 PolarHBondContact O-N 3.31Å; L644-M653 HydrophobicContact CB-CE 3.45Å; L644-M653 VanDerWaalsContact CB-CE 3.45Å; L644-M653 HydrophobicContact CD1-CE 3.81Å; L644-M653 HydrophobicContact CG-CE 4.3Å; L644-N656 HydrophobicContact CD1-CB 3.84Å |
| 645 | N | 98.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 11.3 Ų | 11.3 | 1% | 0.005 | 6% | 0.06 | C | C | . | . | trans | -78.6 | 105.9 | 170 | -63.2 | -46.7 | 0 | 0 | 0 | 109.3 | H332 Q340 S626 S627 N628 T648 | H332-N645 PolarHBondContact ND1-OD1 2.99Å; Q340-N645 PolarHBondContact NE2-OD1 3.49Å; S626-N645 VanDerWaalsContact C-ND2 3.35Å; S626-N645 WeakPolarHBondContact O-CB 3.38Å; S626-N645 PolarHBondContact O-ND2 2.88Å; S627-N645 PolarHBondContact O-ND2 3.48Å; N628-N645 PolarHBondContact ND2-O 2.9Å; N628-N645 VanDerWaalsContact ND2-O 3.14Å; N628-N645 WeakPolarHBondContact OD1-CB 3.13Å; N628-N645 PolarHBondContact OD1-N 2.9Å; N645-T648 PolarHBondContact O-N 3.41Å | ||
| 646 | F | 97.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 10.9 Ų | 10.9 | 0% | 0.004 | 6% | 0.058 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -30.3 | -172.7 | -93.5 | -127.6 | 0 | 0 | 0 | 113.2 | M113 N329 S330 V353 T356 C358 L644 T648 M653 M657 | M113-F646 HydrophobicContact CE-CB 4.14Å; M113-F646 HydrophobicContact CE-CD1 4.05Å; M113-F646 HydrophobicContact CE-CG 4.45Å; M113-F646 WeakPolarHBondContact CE-O 3.43Å; M113-F646 HydrophobicContact SD-CB 3.69Å; M113-F646 HydrophobicContact SD-CD1 4Å; M113-F646 HydrophobicContact SD-CG 4.33Å; N329-F646 WeakPolarHBondContact OD1-CZ 3.3Å; S330-F646 VanDerWaalsContact O-CE2 3.28Å; S330-F646 WeakPolarHBondContact O-CE2 3.35Å; V353-F646 HydrophobicContact CB-CD1 4.21Å; V353-F646 HydrophobicContact CG1-CD1 3.8Å; V353-F646 HydrophobicContact CG1-CE1 3.89Å; V353-F646 HydrophobicContact CG1-CG 4.37Å; V353-F646 HydrophobicContact CG2-CB 3.92Å; V353-F646 HydrophobicContact CG2-CD1 3.74Å; V353-F646 HydrophobicContact CG2-CG 4.08Å; T356-F646 WeakPolarHBondContact OG1-CE1 3.41Å; C358-F646 HydrophobicContact CB-CE1 3.83Å; C358-F646 HydrophobicContact CB-CZ 3.99Å; C358-F646 VanDerWaalsContact SG-CZ 3.58Å; L644-F646 WeakPolarHBondContact O-CD2 3.28Å; L644-F646 PolarHBondContact O-N 3.31Å; F646-T648 PolarHBondContact O-N 2.92Å; F646-M653 HydrophobicContact CD2-CE 3.54Å; F646-M653 HydrophobicContact CD2-SD 4.24Å; F646-M653 HydrophobicContact CE2-CE 3.84Å; F646-M653 HydrophobicContact CE2-SD 4.38Å; F646-M653 HydrophobicContact CG-CE 4.12Å; F646-M653 HydrophobicContact CG-SD 4.37Å; F646-M657 HydrophobicContact CD1-CE 3.65Å; F646-M657 HydrophobicContact CE1-CE 3.31Å; F646-M657 HydrophobicContact CZ-CE 3.94Å |
| 647 | Q | 94.5 | Very high | 97.4 | Very high | 20 Ų | 20 | 11.1 Ų | 11.1 | 9% | 0.093 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -1.5 | 176.1 | 74 | -81.6 | 37.6 | 0 | 0 | 114.7 | V114 V338 M349 S626 | V114-Q647 HydrophobicContact CG2-CB 4.03Å; V338-Q647 WeakPolarHBondContact O-CG 3.21Å; V338-Q647 PolarHBondContact O-NE2 3.05Å; V338-Q647 VanDerWaalsContact O-NE2 3.13Å; M349-Q647 HydrophobicContact CE-CB 4.35Å; S626-Q647 PolarHBondContact OG-NE2 3.47Å |
| 648 | T | 95.8 | Very high | 97.4 | Very high | 33 Ų | 33 | 11 Ų | 11 | 20% | 0.202 | 6% | 0.059 | C | C | . | . | trans | -124.7 | 98.6 | -178.6 | -60.4 | 0 | 0 | 0 | 0 | 110.1 | S626 N628 N645 F646 D650 M653 | S626-T648 WeakPolarHBondContact O-CB 3.22Å; S626-T648 PolarHBondContact O-OG1 3.43Å; N628-T648 PolarHBondContact ND2-O 3.14Å; N645-T648 PolarHBondContact O-N 3.41Å; F646-T648 PolarHBondContact O-N 2.92Å; T648-D650 HydrophobicContact CG2-CB 4.18Å; T648-D650 PolarHBondContact O-N 2.73Å; T648-M653 WeakPolarHBondContact O-CB 3.44Å | ||
| 649 | L | 95.3 | Very high | 97.4 | Very high | 43 Ų | 43 | 11.7 Ų | 11.7 | 23% | 0.225 | 6% | 0.063 | C | C | . | . | trans | -77.7 | 44 | -176.3 | -59.4 | 179.6 | 0 | 0 | 0 | 113.9 | D112 M113 M653 Q654 E798 F799 | D112-L649 HydrophobicContact CB-CD1 3.81Å; M113-L649 HydrophobicContact CE-CD2 3.9Å; L649-M653 HydrophobicContact CD2-CG 3.82Å; L649-Q654 PolarHBondContact O-NE2 2.99Å; L649-E798 HydrophobicContact CB-CB 3.84Å; L649-E798 HydrophobicContact CD1-CB 4.09Å; L649-F799 HydrophobicContact CD1-CB 3.9Å; L649-F799 HydrophobicContact CD2-CD2 4.29Å | ||
| 650 | D | 95.9 | Very high | 97.4 | Very high | 39 Ų | 39 | 11.8 Ų | 11.8 | 21% | 0.209 | 6% | 0.063 | C | C | . | . | S | Bend | trans | -73.9 | 178.5 | 177 | 64.8 | 6.1 | 0 | 0 | 0 | 112.7 | N628 T648 P652 M653 Q654 | N628-D650 WeakPolarHBondContact CB-OD1 3.5Å; N628-D650 WeakPolarHBondContact CB-OD2 3.3Å; N628-D650 PolarHBondContact N-OD2 3.41Å; N628-D650 PolarHBondContact ND2-OD1 3.08Å; T648-D650 HydrophobicContact CG2-CB 4.18Å; T648-D650 PolarHBondContact O-N 2.73Å; D650-P652 WeakPolarHBondContact OD1-CD 3.26Å; D650-M653 PolarHBondContact O-N 3.44Å; D650-M653 PolarHBondContact OD1-N 2.89Å; D650-Q654 WeakPolarHBondContact O-CG 3.47Å; D650-Q654 PolarHBondContact O-N 3.14Å |
| 651 | L | 96.6 | Very high | 97.2 | Very high | 52 Ų | 52 | 12.3 Ų | 12.3 | 27% | 0.272 | 7% | 0.066 | S | C | . | . | H | α-helix | trans | -54.7 | -42.3 | -177.3 | 174.9 | 66.3 | 0 | 0 | 0 | 113.7 | M630 L655 F722 R765 | M630-L651 HydrophobicContact CE-CD2 4.18Å; M630-L651 HydrophobicContact CE-CG 4.14Å; L651-L655 PolarHBondContact O-N 3.37Å; L651-F722 HydrophobicContact CD1-CZ 4.07Å; L651-F722 HydrophobicContact CD2-CE1 4.4Å; L651-F722 HydrophobicContact CD2-CZ 4.16Å; L651-F722 HydrophobicContact CG-CZ 4.38Å; L651-R765 VanDerWaalsContact CD1-CZ 3.49Å; L651-R765 VanDerWaalsContact CD1-NE 3.33Å |
| 652 | P | 98.1 | Very high | 97 | Very high | 13 Ų | 13 | 12.5 Ų | 12.5 | 8% | 0.084 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -53.2 | -48.4 | 166.9 | -31.7 | 36.5 | 0 | 0 | 0 | 115.3 | N628 Y629 M630 D650 L655 N656 | N628-P652 HydrophobicContact CB-CB 3.5Å; N628-P652 VanDerWaalsContact CB-CB 3.5Å; N628-P652 HydrophobicContact CB-CG 3.73Å; Y629-P652 WeakPolarHBondContact O-CB 2.95Å; Y629-P652 WeakPolarHBondContact O-CG 3.34Å; M630-P652 HydrophobicContact CE-CG 4.07Å; D650-P652 WeakPolarHBondContact OD1-CD 3.26Å; P652-L655 WeakPolarHBondContact O-CB 3.43Å; P652-L655 PolarHBondContact O-N 2.93Å; P652-N656 PolarHBondContact O-N 3.3Å |
| 653 | M | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -70.2 | -37.7 | -178.2 | -175.4 | 49.3 | 53 | 0 | 0 | 112 | L644 F646 T648 L649 D650 L655 N656 M657 | L644-M653 HydrophobicContact CB-CE 3.45Å; L644-M653 VanDerWaalsContact CB-CE 3.45Å; L644-M653 HydrophobicContact CD1-CE 3.81Å; L644-M653 HydrophobicContact CG-CE 4.3Å; F646-M653 HydrophobicContact CD2-CE 3.54Å; F646-M653 HydrophobicContact CD2-SD 4.24Å; F646-M653 HydrophobicContact CE2-CE 3.84Å; F646-M653 HydrophobicContact CE2-SD 4.38Å; F646-M653 HydrophobicContact CG-CE 4.12Å; F646-M653 HydrophobicContact CG-SD 4.37Å; T648-M653 WeakPolarHBondContact O-CB 3.44Å; L649-M653 HydrophobicContact CD2-CG 3.82Å; D650-M653 PolarHBondContact O-N 3.44Å; D650-M653 PolarHBondContact OD1-N 2.89Å; M653-L655 VanDerWaalsContact C-N 3.32Å; M653-L655 PolarHBondContact O-N 3.06Å; M653-N656 PolarHBondContact O-N 3.24Å; M653-N656 HydrophobicContact SD-CB 4.35Å; M653-M657 HydrophobicContact CG-CG 4.37Å; M653-M657 WeakPolarHBondContact O-CB 3.35Å; M653-M657 WeakPolarHBondContact O-CG 3.49Å; M653-M657 PolarHBondContact O-N 2.73Å; M653-M657 HydrophobicContact SD-CE 3.64Å; M653-M657 HydrophobicContact SD-CG 3.92Å |
| 654 | Q | 97.8 | Very high | 96.6 | Very high | 14 Ų | 14 | 13.5 Ų | 13.5 | 7% | 0.065 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -55.3 | -47.8 | 168.7 | -72 | 170.7 | 30.3 | 0 | 0 | 110.9 | L649 D650 N656 M657 G658 I780 E798 | L649-Q654 PolarHBondContact O-NE2 2.99Å; D650-Q654 WeakPolarHBondContact O-CG 3.47Å; D650-Q654 PolarHBondContact O-N 3.14Å; Q654-N656 PolarHBondContact O-N 3.25Å; Q654-M657 PolarHBondContact O-N 3.32Å; Q654-G658 PolarHBondContact O-N 2.98Å; Q654-I780 WeakPolarHBondContact O-CD1 3.3Å; Q654-E798 HydrophobicContact CG-CB 4.36Å |
| 655 | L | 98 | Very high | 96.4 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.005 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -59.2 | -46.8 | 176.9 | -174 | 62.5 | 0 | 0 | 0 | 111.6 | M630 P631 Q632 W635 L651 P652 M653 G658 V659 F722 I780 | M630-L655 HydrophobicContact SD-CD2 3.72Å; P631-L655 HydrophobicContact CG-CD2 4.39Å; Q632-L655 HydrophobicContact CB-CD2 4.39Å; W635-L655 HydrophobicContact CZ3-CD2 4.24Å; W635-L655 HydrophobicContact CZ3-CG 4.29Å; L651-L655 PolarHBondContact O-N 3.37Å; P652-L655 WeakPolarHBondContact O-CB 3.43Å; P652-L655 PolarHBondContact O-N 2.93Å; M653-L655 VanDerWaalsContact C-N 3.32Å; M653-L655 PolarHBondContact O-N 3.06Å; L655-G658 PolarHBondContact O-N 3Å; L655-V659 HydrophobicContact CD1-CG1 4.32Å; L655-V659 PolarHBondContact O-N 3.2Å; L655-F722 HydrophobicContact CD1-CG 4.4Å; L655-F722 HydrophobicContact CD2-CB 4.33Å; L655-F722 HydrophobicContact CD2-CD1 3.91Å; L655-F722 HydrophobicContact CD2-CE1 4.49Å; L655-F722 HydrophobicContact CD2-CG 4.19Å; L655-I780 HydrophobicContact CD1-CD1 4.48Å; L655-I780 HydrophobicContact CD1-CG2 4.39Å |
| 656 | N | 98.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.005 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -60.7 | -51.2 | 178.8 | -169.7 | 74.7 | 0 | 0 | 0 | 112.7 | N329 L644 P652 M653 Q654 G658 V659 F660 | N329-N656 PolarHBondContact OD1-ND2 3.37Å; L644-N656 HydrophobicContact CD1-CB 3.84Å; P652-N656 PolarHBondContact O-N 3.3Å; M653-N656 PolarHBondContact O-N 3.24Å; M653-N656 HydrophobicContact SD-CB 4.35Å; Q654-N656 PolarHBondContact O-N 3.25Å; N656-G658 PolarHBondContact O-N 2.92Å; N656-V659 WeakPolarHBondContact O-CG2 3.32Å; N656-V659 PolarHBondContact O-N 2.86Å; N656-F660 WeakPolarHBondContact O-CD2 3.37Å; N656-F660 PolarHBondContact O-N 3.04Å; N656-F660 VanDerWaalsContact O-N 3.08Å; N656-F660 WeakPolarHBondContact OD1-CD2 3.4Å; N656-F660 WeakPolarHBondContact OD1-CE2 3.3Å |
| 657 | M | 97 | Very high | 96.3 | Very high | 11 Ų | 11 | 15.2 Ų | 15.2 | 5% | 0.054 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -64.3 | -26.4 | 177.6 | -70.6 | -68.9 | 151.4 | 0 | 0 | 113.1 | M113 T356 F646 M653 Q654 F799 N800 | M113-M657 HydrophobicContact CE-CE 4.07Å; T356-M657 HydrophobicContact CG2-CE 4.05Å; T356-M657 HydrophobicContact CG2-SD 4.15Å; F646-M657 HydrophobicContact CD1-CE 3.65Å; F646-M657 HydrophobicContact CE1-CE 3.31Å; F646-M657 HydrophobicContact CZ-CE 3.94Å; M653-M657 HydrophobicContact CG-CG 4.37Å; M653-M657 WeakPolarHBondContact O-CB 3.35Å; M653-M657 WeakPolarHBondContact O-CG 3.49Å; M653-M657 PolarHBondContact O-N 2.73Å; M653-M657 HydrophobicContact SD-CE 3.64Å; M653-M657 HydrophobicContact SD-CG 3.92Å; Q654-M657 PolarHBondContact O-N 3.32Å; M657-F799 HydrophobicContact SD-CE2 4.4Å; M657-N800 HydrophobicContact CB-CB 4.06Å; M657-N800 PolarHBondContact O-ND2 3.37Å |
| 658 | G | 96.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -76.7 | -41.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q654 L655 N656 Y662 | Q654-G658 PolarHBondContact O-N 2.98Å; L655-G658 PolarHBondContact O-N 3Å; N656-G658 PolarHBondContact O-N 2.92Å; G658-Y662 WeakPolarHBondContact O-CD2 3.29Å; G658-Y662 WeakPolarHBondContact O-CE2 3.36Å |
| 659 | V | 96.6 | Very high | 96.6 | Very high | 13 Ų | 13 | 13.9 Ų | 13.9 | 8% | 0.079 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -78.1 | -37.2 | -178.7 | -60.2 | 0 | 0 | 0 | 0 | 112.8 | W635 L655 N656 E661 Y662 L669 I780 | W635-V659 HydrophobicContact CH2-CG2 3.69Å; W635-V659 HydrophobicContact CZ2-CG2 4.43Å; W635-V659 HydrophobicContact CZ3-CG2 4.08Å; L655-V659 HydrophobicContact CD1-CG1 4.32Å; L655-V659 PolarHBondContact O-N 3.2Å; N656-V659 WeakPolarHBondContact O-CG2 3.32Å; N656-V659 PolarHBondContact O-N 2.86Å; V659-E661 PolarHBondContact O-N 3.49Å; V659-Y662 WeakPolarHBondContact O-CD2 3.5Å; V659-Y662 PolarHBondContact O-N 3.28Å; V659-L669 HydrophobicContact CB-CD1 4.14Å; V659-L669 HydrophobicContact CG2-CD1 4.22Å; V659-I780 HydrophobicContact CG1-CG2 4.23Å |
| 660 | F | 97.6 | Very high | 96.7 | Very high | 3 Ų | 3 | 13.9 Ų | 13.9 | 1% | 0.013 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 10.7 | 178.5 | -71.6 | -69 | 0 | 0 | 0 | 114.5 | F327 N329 W635 N656 H665 G667 L669 | F327-F660 HydrophobicContact CB-CZ 4.18Å; N329-F660 HydrophobicContact CB-CB 4.33Å; N329-F660 HydrophobicContact CB-CD1 3.81Å; N329-F660 HydrophobicContact CB-CD2 3.68Å; N329-F660 HydrophobicContact CB-CE1 3.95Å; N329-F660 HydrophobicContact CB-CE2 3.83Å; N329-F660 HydrophobicContact CB-CG 3.68Å; N329-F660 HydrophobicContact CB-CZ 3.96Å; W635-F660 AromaticContact CZ2-CE2 3.98Å; W635-F660 HydrophobicContact CZ2-CE2 3.98Å; N656-F660 WeakPolarHBondContact O-CD2 3.37Å; N656-F660 PolarHBondContact O-N 3.04Å; N656-F660 VanDerWaalsContact O-N 3.08Å; N656-F660 WeakPolarHBondContact OD1-CD2 3.4Å; N656-F660 WeakPolarHBondContact OD1-CE2 3.3Å; F660-H665 PolarHBondContact O-ND1 3.29Å; F660-G667 WeakPolarHBondContact CE1-O 3.41Å; F660-L669 HydrophobicContact CD1-CD1 3.7Å; F660-L669 HydrophobicContact CD1-CG 3.78Å; F660-L669 HydrophobicContact CE1-CB 4.34Å; F660-L669 HydrophobicContact CE1-CD1 3.67Å; F660-L669 HydrophobicContact CE1-CG 3.72Å; F660-L669 HydrophobicContact CG-CD1 4.31Å; F660-L669 HydrophobicContact CZ-CD1 4.25Å |
| 661 | E | 95.5 | Very high | 96.8 | Very high | 12 Ų | 12 | 12.2 Ų | 12.2 | 6% | 0.056 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -31.6 | 161.8 | 175.1 | 170.2 | -155.5 | 0 | 0 | 112.2 | N147 L313 V659 H665 R779 R796 N800 | N147-E661 PolarHBondContact ND2-OE1 3.12Å; N147-E661 PolarHBondContact OD1-OE1 3.17Å; L313-E661 HydrophobicContact CD2-CG 4.28Å; V659-E661 PolarHBondContact O-N 3.49Å; E661-H665 PolarHBondContact O-N 2.97Å; E661-R779 IonicContact OE1-NH2 2.84Å; E661-R779 IonicContact OE2-CZ 3.16Å; E661-R779 VanDerWaalsContact OE2-CZ 3.26Å; E661-R779 IonicContact OE2-NH1 3.97Å; E661-R779 PolarHBondContact OE2-NH1 3.46Å; E661-R779 IonicContact OE2-NH2 2.67Å; E661-R779 PolarHBondContact OE2-NH2 3.07Å; E661-R796 IonicContact OE1-CZ 3.66Å; E661-R796 IonicContact OE1-NH1 3.5Å; E661-R796 PolarHBondContact OE1-NH1 3.23Å; E661-R796 IonicContact OE1-NH2 2.71Å; E661-R796 PolarHBondContact OE1-NH2 2.87Å; E661-R796 IonicContact OE2-CZ 2.84Å; E661-R796 IonicContact OE2-NH1 3.73Å; E661-R796 PolarHBondContact OE2-NH1 2.62Å; E661-R796 IonicContact OE2-NH2 2.74Å; E661-N800 PolarHBondContact OE2-ND2 3.47Å |
| 662 | Y | 94.7 | Very high | 96.7 | Very high | 5 Ų | 5 | 10.4 Ų | 10.4 | 2% | 0.02 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | 169.3 | -178.3 | -61.4 | -90.2 | 0 | 0 | 0 | 111.1 | L308 K312 L313 G658 V659 I780 P782 | L308-Y662 HydrophobicContact CD1-CE1 3.97Å; L308-Y662 WeakPolarHBondContact CD1-OH 3.32Å; L308-Y662 HydrophobicContact CD2-CE1 3.88Å; K312-Y662 HydrophobicContact CB-CD1 4.35Å; K312-Y662 WeakPolarHBondContact O-CD1 3.49Å; L313-Y662 HydrophobicContact CD2-CD1 4.05Å; L313-Y662 HydrophobicContact CD2-CE1 3.96Å; G658-Y662 WeakPolarHBondContact O-CD2 3.29Å; G658-Y662 WeakPolarHBondContact O-CE2 3.36Å; V659-Y662 WeakPolarHBondContact O-CD2 3.5Å; V659-Y662 PolarHBondContact O-N 3.28Å; Y662-I780 PolarHBondContact OH-O 3.49Å; Y662-P782 HydrophobicContact CD1-CG 4.3Å; Y662-P782 HydrophobicContact CD2-CG 3.92Å; Y662-P782 HydrophobicContact CE1-CG 4.2Å; Y662-P782 VanDerWaalsContact CE2-CD 3.42Å; Y662-P782 HydrophobicContact CE2-CG 3.8Å; Y662-P782 HydrophobicContact CG-CG 4.19Å; Y662-P782 WeakPolarHBondContact OH-CD 3.39Å |
| 663 | N | 95.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 51.2 | -175.7 | -164.7 | 41.1 | 0 | 0 | 0 | 112.9 | K312 D314 F316 D317 H665 S666 Y668 L669 | K312-N663 PolarHBondContact O-N 2.88Å; D314-N663 CarbonylContact O-C 3.52Å; D314-N663 VanDerWaalsContact O-CA 3.26Å; D314-N663 WeakPolarHBondContact O-CA 3.31Å; F316-N663 HydrophobicContact CD1-CB 4.18Å; F316-N663 HydrophobicContact CE1-CB 3.93Å; F316-N663 PolarHBondContact N-OD1 3.04Å; D317-N663 PolarHBondContact N-OD1 3.34Å; N663-H665 VanDerWaalsContact C-N 3.29Å; N663-H665 PolarHBondContact O-N 2.87Å; N663-S666 PolarHBondContact ND2-OG 2.94Å; N663-S666 WeakPolarHBondContact O-CB 3.47Å; N663-S666 PolarHBondContact O-N 2.69Å; N663-S666 VanDerWaalsContact O-N 3.14Å; N663-S666 PolarHBondContact O-OG 2.79Å; N663-Y668 PolarHBondContact ND2-O 3.03Å; N663-L669 HydrophobicContact CB-CD2 3.83Å |
| 664 | G | 92.7 | Very high | 96.1 | Very high | 22 Ų | 22 | 16.4 Ų | 16.4 | 23% | 0.227 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.6 | 21.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | L313 D314 S666 | L313-G664 WeakPolarHBondContact O-CA 3.37Å; L313-G664 PolarHBondContact O-N 2.92Å; D314-G664 VanDerWaalsContact C-N 3.34Å; D314-G664 PolarHBondContact O-N 2.97Å; G664-S666 PolarHBondContact O-N 3.24Å; G664-S666 VanDerWaalsContact O-N 3.15Å |
| 665 | H | 93.8 | Very high | 95.9 | Very high | 32 Ų | 32 | 15.7 Ų | 15.7 | 15% | 0.148 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.7 | 22.7 | -170.1 | -156.3 | 30.5 | 0 | 0 | 0 | 113.9 | T356 F660 E661 N663 G667 | T356-H665 VanDerWaalsContact C-CE1 3.45Å; T356-H665 PolarHBondContact O-CE1 3.37Å; F660-H665 PolarHBondContact O-ND1 3.29Å; E661-H665 PolarHBondContact O-N 2.97Å; N663-H665 VanDerWaalsContact C-N 3.29Å; N663-H665 PolarHBondContact O-N 2.87Å; H665-G667 PolarHBondContact O-N 2.72Å; H665-G667 VanDerWaalsContact O-N 3.08Å |
| 666 | S | 96.8 | Very high | 95.6 | Very high | 4 Ų | 4 | 16.6 Ų | 16.6 | 3% | 0.028 | 9% | 0.089 | C | C | . | . | trans | -62.3 | -20 | -172.4 | 59 | 0 | 0 | 0 | 0 | 114.9 | R359 S404 N663 G664 Y668 | R359-S666 WeakPolarHBondContact CD-O 3.38Å; S404-S666 WeakPolarHBondContact CB-O 3.49Å; S404-S666 WeakPolarHBondContact OG-CA 3.46Å; S404-S666 PolarHBondContact OG-O 3.39Å; N663-S666 PolarHBondContact ND2-OG 2.94Å; N663-S666 WeakPolarHBondContact O-CB 3.47Å; N663-S666 PolarHBondContact O-N 2.69Å; N663-S666 VanDerWaalsContact O-N 3.14Å; N663-S666 PolarHBondContact O-OG 2.79Å; G664-S666 PolarHBondContact O-N 3.24Å; G664-S666 VanDerWaalsContact O-N 3.15Å; S666-Y668 VanDerWaalsContact C-N 3.26Å; S666-Y668 PolarHBondContact OG-N 2.88Å; S666-Y668 PolarHBondContact OG-O 3.06Å; S666-Y668 VanDerWaalsContact OG-O 3.07Å | ||
| 667 | G | 97.9 | Very high | 95.2 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.01 | 11% | 0.106 | C | C | . | . | S | Bend | trans | 79.6 | 5.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | N329 G357 F660 H665 | N329-G667 PolarHBondContact N-O 3.3Å; G357-G667 WeakPolarHBondContact O-CA 3.49Å; F660-G667 WeakPolarHBondContact CE1-O 3.41Å; H665-G667 PolarHBondContact O-N 2.72Å; H665-G667 VanDerWaalsContact O-N 3.08Å |
| 668 | Y | 98.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 0% | 0.004 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 132.2 | 178.4 | -75.2 | -86.3 | 0 | 0 | 0 | 109.7 | M319 L323 Y326 F327 I328 R359 Y406 P407 P456 N663 S666 | M319-Y668 HydrophobicContact CE-CG 4.25Å; L323-Y668 HydrophobicContact CD1-CE1 3.6Å; Y326-Y668 HydrophobicContact CG-CD1 4.21Å; F327-Y668 WeakPolarHBondContact O-CA 3.45Å; I328-Y668 HydrophobicContact CB-CE1 4.3Å; I328-Y668 HydrophobicContact CD1-CE1 3.78Å; I328-Y668 HydrophobicContact CG1-CD1 3.92Å; I328-Y668 HydrophobicContact CG1-CE1 3.59Å; I328-Y668 HydrophobicContact CG2-CE1 3.95Å; R359-Y668 HydrophobicContact CB-CE2 3.84Å; R359-Y668 HydrophobicContact CG-CD2 3.86Å; R359-Y668 HydrophobicContact CG-CE2 3.47Å; R359-Y668 VanDerWaalsContact CG-CE2 3.47Å; Y406-Y668 HydrophobicContact CG-CD2 4.27Å; P407-Y668 HydrophobicContact CG-CE2 4.35Å; P407-Y668 PolarHBondContact O-OH 3.34Å; P456-Y668 HydrophobicContact CG-CD1 4.17Å; P456-Y668 HydrophobicContact CG-CE1 4.37Å; N663-Y668 PolarHBondContact ND2-O 3.03Å; S666-Y668 VanDerWaalsContact C-N 3.26Å; S666-Y668 PolarHBondContact OG-N 2.88Å; S666-Y668 PolarHBondContact OG-O 3.06Å; S666-Y668 VanDerWaalsContact OG-O 3.07Å |
| 669 | L | 98.1 | Very high | 94 | Very high | 25 Ų | 25 | 29.4 Ų | 29.4 | 13% | 0.131 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 129.2 | 175.6 | -63.5 | 171 | 0 | 0 | 0 | 108.8 | Y326 F327 V659 F660 N663 | Y326-L669 CarbonylContact C-O 3.59Å; Y326-L669 VanDerWaalsContact CA-O 3.24Å; Y326-L669 WeakPolarHBondContact CA-O 3.32Å; F327-L669 HydrophobicContact CB-CB 4.46Å; F327-L669 PolarHBondContact N-O 2.85Å; F327-L669 PolarHBondContact O-N 2.99Å; F327-L669 VanDerWaalsContact O-N 3.07Å; V659-L669 HydrophobicContact CB-CD1 4.14Å; V659-L669 HydrophobicContact CG2-CD1 4.22Å; F660-L669 HydrophobicContact CD1-CD1 3.7Å; F660-L669 HydrophobicContact CD1-CG 3.78Å; F660-L669 HydrophobicContact CE1-CB 4.34Å; F660-L669 HydrophobicContact CE1-CD1 3.67Å; F660-L669 HydrophobicContact CE1-CG 3.72Å; F660-L669 HydrophobicContact CG-CD1 4.31Å; F660-L669 HydrophobicContact CZ-CD1 4.25Å; N663-L669 HydrophobicContact CB-CD2 3.83Å |
| 670 | L | 97.8 | Very high | 93.4 | Very high | 43 Ų | 43 | 31.7 Ų | 31.7 | 23% | 0.225 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 131.8 | -178.6 | -177.6 | 59.8 | 0 | 0 | 0 | 110.5 | D317 D318 H321 H325 Y326 | D317-L670 HydrophobicContact CB-CB 3.8Å; D317-L670 VanDerWaalsContact CG-CB 3.49Å; D317-L670 PolarHBondContact OD2-N 2.68Å; D318-L670 HydrophobicContact CB-CD2 4.39Å; H321-L670 HydrophobicContact CB-CD1 4.41Å; H325-L670 HydrophobicContact CB-CD1 4.12Å; Y326-L670 HydrophobicContact CD1-CB 4.18Å; Y326-L670 HydrophobicContact CD1-CD1 4.21Å; Y326-L670 HydrophobicContact CE1-CB 4.04Å; Y326-L670 HydrophobicContact CE1-CD1 3.81Å; Y326-L670 HydrophobicContact CE1-CG 4.48Å |
| 671 | K | 97.6 | Very high | 92.6 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.017 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -69.7 | 146.2 | 177.2 | -68.7 | -171.6 | -72 | 178.1 | 0 | 110.7 | A324 H325 F327 N610 G638 M675 T676 | A324-K671 WeakPolarHBondContact O-CE 3.41Å; A324-K671 PolarHBondContact O-NZ 3.08Å; H325-K671 VanDerWaalsContact C-CE 3.43Å; H325-K671 WeakPolarHBondContact O-CB 3.19Å; H325-K671 WeakPolarHBondContact O-CE 3.32Å; H325-K671 VanDerWaalsContact O-CG 3.24Å; H325-K671 WeakPolarHBondContact O-CG 3.23Å; H325-K671 PolarHBondContact O-N 3.36Å; F327-K671 HydrophobicContact CD1-CD 3.95Å; F327-K671 HydrophobicContact CD1-CG 3.9Å; F327-K671 HydrophobicContact CD2-CG 3.97Å; F327-K671 HydrophobicContact CE1-CD 3.56Å; F327-K671 HydrophobicContact CE1-CG 3.68Å; F327-K671 HydrophobicContact CE2-CB 4.49Å; F327-K671 HydrophobicContact CE2-CG 3.76Å; F327-K671 HydrophobicContact CG-CG 4.04Å; F327-K671 HydrophobicContact CZ-CB 4.49Å; F327-K671 HydrophobicContact CZ-CD 3.9Å; F327-K671 HydrophobicContact CZ-CG 3.62Å; N610-K671 PolarHBondContact O-NZ 3.29Å; G638-K671 PolarHBondContact O-NZ 2.77Å; K671-M675 HydrophobicContact CB-CB 4.27Å; K671-T676 HydrophobicContact CB-CG2 3.87Å |
| 672 | P | 94.9 | Very high | 92.1 | Very high | 14 Ų | 14 | 39.7 Ų | 39.7 | 9% | 0.091 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -49.7 | 144.2 | 173.8 | -27.5 | 33.8 | 0 | 0 | 0 | 113 | I674 M675 L758 S760 L761 | P672-I674 VanDerWaalsContact C-N 3.26Å; P672-I674 PolarHBondContact O-N 3.05Å; P672-I674 VanDerWaalsContact O-N 3.1Å; P672-M675 HydrophobicContact CB-CG 4.24Å; P672-M675 HydrophobicContact CB-SD 4.31Å; P672-M675 HydrophobicContact CG-SD 3.99Å; P672-M675 WeakPolarHBondContact O-CA 3.27Å; P672-M675 VanDerWaalsContact O-CB 3.29Å; P672-M675 WeakPolarHBondContact O-CB 3.35Å; P672-M675 PolarHBondContact O-N 3.44Å; P672-L758 HydrophobicContact CB-CD1 4.29Å; P672-L758 HydrophobicContact CG-CD2 4.41Å; P672-S760 WeakPolarHBondContact CG-OG 3.42Å; P672-L761 HydrophobicContact CG-CB 4.16Å; P672-L761 HydrophobicContact CG-CD1 4.5Å |
| 673 | E | 92 | Very high | 91.8 | Very high | 123 Ų | 123 | 42 Ų | 42 | 58% | 0.575 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | -51.6 | -40.1 | -172.5 | -167 | -168.3 | 143.1 | 0 | 0 | 113.8 | M675 T676 R677 | E673-M675 PolarHBondContact O-N 2.98Å; E673-M675 VanDerWaalsContact O-N 3.16Å; E673-T676 PolarHBondContact O-N 2.93Å; E673-T676 VanDerWaalsContact O-N 3.11Å; E673-T676 PolarHBondContact O-OG1 2.89Å; E673-T676 VanDerWaalsContact O-OG1 3.06Å; E673-R677 HydrophobicContact CG-CG 4Å; E673-R677 WeakPolarHBondContact O-CB 3.38Å; E673-R677 PolarHBondContact O-N 2.97Å; E673-R677 WeakPolarHBondContact OE1-CD 3.43Å; E673-R677 IonicContact OE1-CZ 3.77Å; E673-R677 IonicContact OE1-NE 2.71Å; E673-R677 IonicContact OE1-NH1 3.28Å; E673-R677 PolarHBondContact OE1-NH1 2.85Å |
| 674 | I | 91.2 | Very high | 91.4 | Very high | 15 Ų | 15 | 42.1 Ų | 42.1 | 8% | 0.077 | 23% | 0.229 | C | C | . | . | G | 310 helix | trans | -60.7 | -25.7 | 177.5 | -157 | 80.6 | 0 | 0 | 0 | 113.1 | K611 P672 K680 F682 V690 I693 | K611-I674 PolarHBondContact NZ-O 3.47Å; P672-I674 VanDerWaalsContact C-N 3.26Å; P672-I674 PolarHBondContact O-N 3.05Å; P672-I674 VanDerWaalsContact O-N 3.1Å; I674-K680 HydrophobicContact CD1-CB 3.73Å; I674-K680 HydrophobicContact CD1-CD 3.96Å; I674-K680 HydrophobicContact CD1-CG 3.93Å; I674-K680 HydrophobicContact CG1-CB 4.46Å; I674-F682 HydrophobicContact CG1-CB 3.78Å; I674-F682 HydrophobicContact CG1-CD2 3.9Å; I674-F682 HydrophobicContact CG1-CG 4.05Å; I674-F682 HydrophobicContact CG2-CD2 4.04Å; I674-F682 HydrophobicContact CG2-CE2 4.35Å; I674-F682 HydrophobicContact CG2-CG 4.13Å; I674-V690 HydrophobicContact CD1-CG1 4.45Å; I674-I693 HydrophobicContact CB-CD1 3.9Å; I674-I693 HydrophobicContact CD1-CD1 4.22Å; I674-I693 HydrophobicContact CG1-CD1 3.97Å; I674-I693 HydrophobicContact CG2-CD1 3.81Å |
| 675 | M | 93.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -93.8 | -3.1 | -178.5 | -50.6 | -174.3 | 77.8 | 0 | 0 | 113.3 | L607 K611 W635 N636 K671 P672 E673 L758 L761 | L607-M675 HydrophobicContact CD1-CB 4.16Å; L607-M675 HydrophobicContact CD1-CE 3.63Å; L607-M675 HydrophobicContact CD1-CG 4.37Å; K611-M675 VanDerWaalsContact CG-O 3.29Å; K611-M675 WeakPolarHBondContact CG-O 3.43Å; W635-M675 WeakPolarHBondContact O-CE 3.38Å; N636-M675 WeakPolarHBondContact O-CE 3.49Å; K671-M675 HydrophobicContact CB-CB 4.27Å; P672-M675 HydrophobicContact CB-CG 4.24Å; P672-M675 HydrophobicContact CB-SD 4.31Å; P672-M675 HydrophobicContact CG-SD 3.99Å; P672-M675 WeakPolarHBondContact O-CA 3.27Å; P672-M675 VanDerWaalsContact O-CB 3.29Å; P672-M675 WeakPolarHBondContact O-CB 3.35Å; P672-M675 PolarHBondContact O-N 3.44Å; E673-M675 PolarHBondContact O-N 2.98Å; E673-M675 VanDerWaalsContact O-N 3.16Å; M675-L758 HydrophobicContact SD-CD2 4.36Å; M675-L761 HydrophobicContact CE-CD2 4.46Å; M675-L761 HydrophobicContact SD-CD2 4.02Å |
| 676 | T | 92.4 | Very high | 91 | Very high | 19 Ų | 19 | 45.2 Ų | 45.2 | 12% | 0.117 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.9 | -35.8 | 176.7 | 58.9 | 0 | 0 | 0 | 0 | 112.1 | H325 K671 E673 G678 | H325-T676 HydrophobicContact CB-CG2 3.78Å; K671-T676 HydrophobicContact CB-CG2 3.87Å; E673-T676 PolarHBondContact O-N 2.93Å; E673-T676 VanDerWaalsContact O-N 3.11Å; E673-T676 PolarHBondContact O-OG1 2.89Å; E673-T676 VanDerWaalsContact O-OG1 3.06Å; T676-G678 PolarHBondContact O-N 3.21Å |
| 677 | R | 89.7 | Confident | 90.5 | Very high | 96 Ų | 96 | 49.9 Ų | 49.9 | 36% | 0.362 | 26% | 0.257 | S | S | . | . | trans | -63 | 126.2 | -178.9 | -86.5 | -178 | 70.4 | 153.2 | 2 | 114.5 | K611 E673 D679 K680 | K611-R677 WeakPolarHBondContact CD-O 3.46Å; K611-R677 WeakPolarHBondContact CE-O 3.48Å; K611-R677 PolarHBondContact NZ-O 2.86Å; E673-R677 HydrophobicContact CG-CG 4Å; E673-R677 WeakPolarHBondContact O-CB 3.38Å; E673-R677 PolarHBondContact O-N 2.97Å; E673-R677 WeakPolarHBondContact OE1-CD 3.43Å; E673-R677 IonicContact OE1-CZ 3.77Å; E673-R677 IonicContact OE1-NE 2.71Å; E673-R677 IonicContact OE1-NH1 3.28Å; E673-R677 PolarHBondContact OE1-NH1 2.85Å; R677-D679 VanDerWaalsContact C-N 3.34Å; R677-D679 WeakPolarHBondContact CB-OD1 3.24Å; R677-D679 IonicContact CZ-OD1 3.9Å; R677-D679 IonicContact CZ-OD2 3.4Å; R677-D679 IonicContact NE-OD1 2.98Å; R677-D679 PolarHBondContact NE-OD1 3.06Å; R677-D679 IonicContact NE-OD2 3.93Å; R677-D679 PolarHBondContact NE-OD2 2.69Å; R677-D679 IonicContact NH2-OD1 3.4Å; R677-D679 IonicContact NH2-OD2 2.75Å; R677-D679 PolarHBondContact NH2-OD2 2.88Å; R677-D679 PolarHBondContact O-N 3.32Å; R677-K680 HydrophobicContact CB-CB 4.42Å | ||
| 678 | G | 82.2 | Confident | 90 | Very high | 79 Ų | 79 | 55.1 Ų | 55.1 | 81% | 0.814 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -72.3 | -21.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | T676 | T676-G678 PolarHBondContact O-N 3.21Š|
| 679 | D | 85.8 | Confident | 89.5 | Confident | 107 Ų | 107 | 58.9 Ų | 58.9 | 57% | 0.572 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -87.3 | -19.4 | -177.5 | 63.9 | -54.3 | 0 | 0 | 0 | 114.1 | R677 | R677-D679 VanDerWaalsContact C-N 3.34Å; R677-D679 WeakPolarHBondContact CB-OD1 3.24Å; R677-D679 IonicContact CZ-OD1 3.9Å; R677-D679 IonicContact CZ-OD2 3.4Å; R677-D679 IonicContact NE-OD1 2.98Å; R677-D679 PolarHBondContact NE-OD1 3.06Å; R677-D679 IonicContact NE-OD2 3.93Å; R677-D679 PolarHBondContact NE-OD2 2.69Å; R677-D679 IonicContact NH2-OD1 3.4Å; R677-D679 IonicContact NH2-OD2 2.75Å; R677-D679 PolarHBondContact NH2-OD2 2.88Å; R677-D679 PolarHBondContact O-N 3.32Å |
| 680 | K | 83.9 | Confident | 89 | Confident | 60 Ų | 60 | 59.2 Ų | 59.2 | 26% | 0.261 | 30% | 0.304 | S | S | . | . | trans | -101 | 130.6 | -178.9 | -74.1 | -80.7 | -171.4 | 163.1 | 0 | 111.4 | K611 I674 R677 D691 | K611-K680 PolarHBondContact NZ-O 3.16Å; I674-K680 HydrophobicContact CD1-CB 3.73Å; I674-K680 HydrophobicContact CD1-CD 3.96Å; I674-K680 HydrophobicContact CD1-CG 3.93Å; I674-K680 HydrophobicContact CG1-CB 4.46Å; R677-K680 HydrophobicContact CB-CB 4.42Å; K680-D691 IonicContact NZ-OD2 2.7Å; K680-D691 PolarHBondContact NZ-OD2 3.04Å | ||
| 681 | Q | 81.3 | Confident | 88.3 | Confident | 177 Ų | 177 | 63.2 Ų | 63.2 | 83% | 0.827 | 33% | 0.325 | S | S | * | . | trans | -89.9 | 154.7 | 162.3 | -66.1 | -176.4 | -4.6 | 0 | 0 | 109.9 | ||||
| 682 | F | 85.2 | Confident | 87.7 | Confident | 7 Ų | 7 | 66.5 Ų | 66.5 | 3% | 0.031 | 36% | 0.36 | C | S | . | . | trans | -152.2 | 131.4 | -178.3 | 172.4 | -102.9 | 0 | 0 | 0 | 110 | L607 I674 P684 T686 V690 I693 L724 L758 | L607-F682 HydrophobicContact CD2-CB 3.9Å; L607-F682 HydrophobicContact CD2-CD1 3.69Å; L607-F682 HydrophobicContact CD2-CG 4.3Å; I674-F682 HydrophobicContact CG1-CB 3.78Å; I674-F682 HydrophobicContact CG1-CD2 3.9Å; I674-F682 HydrophobicContact CG1-CG 4.05Å; I674-F682 HydrophobicContact CG2-CD2 4.04Å; I674-F682 HydrophobicContact CG2-CE2 4.35Å; I674-F682 HydrophobicContact CG2-CG 4.13Å; F682-P684 HydrophobicContact CE1-CB 4.27Å; F682-T686 HydrophobicContact CE2-CG2 4.49Å; F682-V690 HydrophobicContact CD2-CG1 4.34Å; F682-V690 HydrophobicContact CD2-CG2 4.2Å; F682-V690 HydrophobicContact CE2-CG2 4.03Å; F682-I693 HydrophobicContact CE2-CD1 4.35Å; F682-L724 HydrophobicContact CE1-CD2 4.2Å; F682-L724 HydrophobicContact CZ-CD1 3.93Å; F682-L724 HydrophobicContact CZ-CD2 3.95Å; F682-L758 HydrophobicContact CE1-CD2 4.43Å; F682-L758 HydrophobicContact CZ-CD2 3.89Å | ||
| 683 | D | 87.6 | Confident | 87.5 | Confident | 54 Ų | 54 | 67.3 Ų | 67.3 | 29% | 0.289 | 36% | 0.364 | S | S | . | . | trans | -92.6 | 115.6 | 172.5 | -176.8 | 4.8 | 0 | 0 | 0 | 109.9 | F604 Y685 T686 | F604-D683 HydrophobicContact CE1-CB 3.54Å; F604-D683 HydrophobicContact CZ-CB 3.61Å; D683-Y685 PolarHBondContact O-N 2.74Å; D683-Y685 WeakPolarHBondContact OD1-CA 3.31Å; D683-Y685 WeakPolarHBondContact OD1-CB 3.36Å; D683-Y685 PolarHBondContact OD1-N 2.77Å; D683-T686 WeakPolarHBondContact O-CG2 3.35Å; D683-T686 PolarHBondContact O-N 2.94Å | ||
| 684 | P | 87.5 | Confident | 87.5 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.006 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -10.6 | 174 | 31.4 | -37.4 | 0 | 0 | 0 | 113.5 | P603 N636 I637 F682 P725 | P603-P684 HydrophobicContact CB-CG 3.76Å; N636-P684 WeakPolarHBondContact O-CB 3.32Å; I637-P684 HydrophobicContact CG2-CB 4.36Å; I637-P684 HydrophobicContact CG2-CG 3.91Å; F682-P684 HydrophobicContact CE1-CB 4.27Å; P684-P725 WeakPolarHBondContact O-CD 3.45Å |
| 685 | Y | 89.5 | Confident | 87.6 | Confident | 96 Ų | 96 | 65.6 Ų | 65.6 | 38% | 0.376 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.7 | 2.5 | 176.7 | -70.4 | -80.1 | 0 | 0 | 0 | 114.6 | L599 P603 D683 E687 P725 | L599-Y685 HydrophobicContact CD1-CE2 4.21Å; L599-Y685 WeakPolarHBondContact CG-OH 3.36Å; L599-Y685 WeakPolarHBondContact O-CE2 3.35Å; L599-Y685 PolarHBondContact O-OH 2.88Å; P603-Y685 HydrophobicContact CB-CD2 4.41Å; P603-Y685 HydrophobicContact CB-CE2 4.19Å; P603-Y685 HydrophobicContact CG-CD2 4.4Å; P603-Y685 HydrophobicContact CG-CE2 4.38Å; D683-Y685 PolarHBondContact O-N 2.74Å; D683-Y685 WeakPolarHBondContact OD1-CA 3.31Å; D683-Y685 WeakPolarHBondContact OD1-CB 3.36Å; D683-Y685 PolarHBondContact OD1-N 2.77Å; Y685-E687 PolarHBondContact O-N 3.25Å; Y685-P725 HydrophobicContact CD1-CB 4.33Å; Y685-P725 HydrophobicContact CD1-CG 3.89Å; Y685-P725 HydrophobicContact CE1-CB 4.42Å; Y685-P725 HydrophobicContact CE1-CG 3.87Å |
| 686 | T | 88.4 | Confident | 87.7 | Confident | 23 Ų | 23 | 65.9 Ų | 65.9 | 14% | 0.141 | 36% | 0.364 | C | S | . | . | trans | -51.3 | 132.3 | -178.7 | -177.6 | 0 | 0 | 0 | 0 | 112.7 | F682 D683 E688 V690 I757 | F682-T686 HydrophobicContact CE2-CG2 4.49Å; D683-T686 WeakPolarHBondContact O-CG2 3.35Å; D683-T686 PolarHBondContact O-N 2.94Å; T686-E688 PolarHBondContact OG1-N 3.02Å; T686-E688 VanDerWaalsContact OG1-N 3.09Å; T686-E688 PolarHBondContact OG1-O 3.01Å; T686-V690 HydrophobicContact CG2-CG2 3.84Å; T686-I757 HydrophobicContact CG2-CG2 4.01Å; T686-I757 VanDerWaalsContact O-CD1 3.28Å; T686-I757 WeakPolarHBondContact O-CD1 3.35Å | ||
| 687 | E | 86.1 | Confident | 87.8 | Confident | 102 Ų | 102 | 65.5 Ų | 65.5 | 48% | 0.477 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -88.3 | -13.9 | 169.7 | -57.7 | -123.4 | 126.1 | 0 | 0 | 112 | Y685 R726 K755 I757 | Y685-E687 PolarHBondContact O-N 3.25Å; E687-R726 WeakPolarHBondContact OE1-CD 3.28Å; E687-R726 IonicContact OE1-CZ 3.18Å; E687-R726 VanDerWaalsContact OE1-CZ 3.23Å; E687-R726 IonicContact OE1-NE 2.74Å; E687-R726 IonicContact OE1-NH1 3.17Å; E687-R726 PolarHBondContact OE1-NH1 3.3Å; E687-R726 IonicContact OE2-CZ 3.36Å; E687-R726 IonicContact OE2-NE 2.58Å; E687-R726 IonicContact OE2-NH1 2.71Å; E687-R726 PolarHBondContact OE2-NH1 2.92Å; E687-R726 IonicContact OE2-NH2 3.92Å; E687-R726 PolarHBondContact OE2-NH2 2.81Å; E687-K755 PolarHBondContact O-NZ 3.17Å; E687-I757 WeakPolarHBondContact O-CD1 3.34Å |
| 688 | E | 87.1 | Confident | 88.1 | Confident | 112 Ų | 112 | 60.9 Ų | 60.9 | 52% | 0.523 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -109.9 | 159.9 | -174.3 | -75.3 | -50 | 129.1 | 0 | 0 | 114.7 | T686 K755 I757 | T686-E688 PolarHBondContact OG1-N 3.02Å; T686-E688 VanDerWaalsContact OG1-N 3.09Å; T686-E688 PolarHBondContact OG1-O 3.01Å; E688-K755 IonicContact OE1-NZ 3.45Å; E688-K755 PolarHBondContact OE1-NZ 2.76Å; E688-K755 IonicContact OE2-NZ 2.87Å; E688-K755 PolarHBondContact OE2-NZ 3.34Å; E688-I757 WeakPolarHBondContact O-CG2 3.41Å |
| 689 | I | 87.4 | Confident | 88.8 | Confident | 80 Ų | 80 | 57.8 Ų | 57.8 | 41% | 0.41 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 138.5 | 176 | 60 | 177.4 | 0 | 0 | 0 | 110 | A695 F817 | I689-A695 HydrophobicContact CG2-CB 3.77Å; I689-F817 HydrophobicContact CG2-CD1 3.84Å; I689-F817 HydrophobicContact CG2-CE1 3.92Å |
| 690 | V | 87.4 | Confident | 89.4 | Confident | 32 Ų | 32 | 52.7 Ų | 52.7 | 19% | 0.194 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -98.9 | 135.4 | -175.3 | 178.2 | 0 | 0 | 0 | 0 | 109.8 | I674 F682 T686 G692 I693 I757 | I674-V690 HydrophobicContact CD1-CG1 4.45Å; F682-V690 HydrophobicContact CD2-CG1 4.34Å; F682-V690 HydrophobicContact CD2-CG2 4.2Å; F682-V690 HydrophobicContact CE2-CG2 4.03Å; T686-V690 HydrophobicContact CG2-CG2 3.84Å; V690-G692 PolarHBondContact O-N 3.22Å; V690-I693 HydrophobicContact CB-CB 4.31Å; V690-I693 HydrophobicContact CB-CD1 3.84Å; V690-I693 HydrophobicContact CB-CG1 4.02Å; V690-I693 HydrophobicContact CG1-CD1 3.83Å; V690-I693 HydrophobicContact CG1-CG1 4.06Å; V690-I693 WeakPolarHBondContact O-CB 3.33Å; V690-I693 PolarHBondContact O-N 2.78Å; V690-I757 HydrophobicContact CG2-CG2 4.39Å |
| 691 | D | 84.2 | Confident | 90 | Very high | 126 Ų | 126 | 53.9 Ų | 53.9 | 67% | 0.674 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 128.6 | 176.2 | 169.8 | 59.1 | 0 | 0 | 0 | 112.4 | K680 I693 | K680-D691 IonicContact NZ-OD2 2.7Å; K680-D691 PolarHBondContact NZ-OD2 3.04Å; D691-I693 VanDerWaalsContact C-N 3.34Å |
| 692 | G | 84.8 | Confident | 90.8 | Very high | 73 Ų | 73 | 45.6 Ų | 45.6 | 75% | 0.753 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.6 | 0.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | V690 | V690-G692 PolarHBondContact O-N 3.22Š|
| 693 | I | 89.9 | Confident | 91.4 | Very high | 32 Ų | 32 | 46 Ų | 46 | 16% | 0.164 | 25% | 0.249 | C | C | . | . | trans | -112.6 | 116.5 | 178.8 | -48.5 | -168.5 | 0 | 0 | 0 | 110.6 | I674 F682 V690 D691 A695 I757 L758 | I674-I693 HydrophobicContact CB-CD1 3.9Å; I674-I693 HydrophobicContact CD1-CD1 4.22Å; I674-I693 HydrophobicContact CG1-CD1 3.97Å; I674-I693 HydrophobicContact CG2-CD1 3.81Å; F682-I693 HydrophobicContact CE2-CD1 4.35Å; V690-I693 HydrophobicContact CB-CB 4.31Å; V690-I693 HydrophobicContact CB-CD1 3.84Å; V690-I693 HydrophobicContact CB-CG1 4.02Å; V690-I693 HydrophobicContact CG1-CD1 3.83Å; V690-I693 HydrophobicContact CG1-CG1 4.06Å; V690-I693 WeakPolarHBondContact O-CB 3.33Å; V690-I693 PolarHBondContact O-N 2.78Å; D691-I693 VanDerWaalsContact C-N 3.34Å; I693-A695 PolarHBondContact O-N 2.94Å; I693-A695 VanDerWaalsContact O-N 3.11Å; I693-I757 WeakPolarHBondContact CG2-O 3.5Å; I693-L758 HydrophobicContact CD1-CD1 3.99Å; I693-L758 HydrophobicContact CG2-CD1 3.88Å | ||
| 694 | V | 91.7 | Very high | 91.8 | Very high | 95 Ų | 95 | 43.5 Ų | 43.5 | 58% | 0.576 | 24% | 0.236 | S | C | * | . | trans | -76.2 | 99.7 | 173.4 | -173.3 | 0 | 0 | 0 | 0 | 109.1 | D816 | V694-D816 HydrophobicContact CG1-CB 3.82Å; V694-D816 VanDerWaalsContact CG1-OD1 3.23Å; V694-D816 WeakPolarHBondContact CG1-OD1 3.24Å | ||
| 695 | A | 94.8 | Very high | 92.3 | Very high | 6 Ų | 6 | 43.5 Ų | 43.5 | 5% | 0.05 | 24% | 0.236 | C | C | . | . | trans | -65.2 | 157.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | I689 I693 V756 F817 | I689-A695 HydrophobicContact CG2-CB 3.77Å; I693-A695 PolarHBondContact O-N 2.94Å; I693-A695 VanDerWaalsContact O-N 3.11Å; A695-V756 CarbonylContact C-O 3.58Å; A695-V756 VanDerWaalsContact CA-O 3.29Å; A695-V756 WeakPolarHBondContact CA-O 3.36Å; A695-V756 WeakPolarHBondContact CB-O 3.19Å; A695-F817 HydrophobicContact CB-CB 3.92Å; A695-F817 HydrophobicContact CB-CD1 4.15Å; A695-F817 HydrophobicContact CB-CG 4.4Å; A695-F817 WeakPolarHBondContact O-CB 3.48Å; A695-F817 PolarHBondContact O-N 3.33Å | ||
| 696 | N | 95 | Very high | 92.6 | Very high | 6 Ų | 6 | 39.1 Ų | 39.1 | 3% | 0.032 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 151.9 | -179.7 | -78.2 | -174.9 | 0 | 0 | 0 | 112.7 | R258 V756 P759 K815 D816 | R258-N696 VanDerWaalsContact CD-OD1 3.25Å; R258-N696 WeakPolarHBondContact CD-OD1 3.39Å; R258-N696 PolarHBondContact NH1-OD1 2.91Å; N696-V756 PolarHBondContact N-O 3.03Å; N696-V756 WeakPolarHBondContact O-CB 3.37Å; N696-V756 PolarHBondContact O-N 3.29Å; N696-P759 HydrophobicContact CB-CB 4.18Å; N696-P759 HydrophobicContact CB-CG 3.61Å; N696-K815 CarbonylContact C-O 3.48Å; N696-K815 WeakPolarHBondContact CA-O 3.39Å; N696-K815 WeakPolarHBondContact CB-O 3.41Å; N696-D816 PolarHBondContact ND2-OD1 2.97Å |
| 697 | T | 95.3 | Very high | 92.9 | Very high | 11 Ų | 11 | 39 Ų | 39 | 7% | 0.067 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 128.8 | 158.7 | -61.5 | 0 | 0 | 0 | 0 | 108.2 | V752 Y754 A814 K815 | T697-V752 HydrophobicContact CG2-CG1 4.26Å; T697-Y754 WeakPolarHBondContact CB-O 3.48Å; T697-Y754 PolarHBondContact OG1-O 3.41Å; T697-A814 WeakPolarHBondContact O-CA 3.5Å; T697-K815 PolarHBondContact N-O 2.83Å; T697-K815 PolarHBondContact O-N 2.83Å |
| 698 | V | 96.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 130.6 | 173.4 | -173.1 | 0 | 0 | 0 | 0 | 109.8 | V700 F753 V756 V783 L786 E813 A814 | V698-V700 HydrophobicContact CG1-CG2 4.27Å; V698-F753 HydrophobicContact CB-CB 4.18Å; V698-F753 HydrophobicContact CB-CD2 4.36Å; V698-F753 PolarHBondContact N-O 3.38Å; V698-F753 WeakPolarHBondContact O-CA 3.12Å; V698-F753 PolarHBondContact O-N 2.79Å; V698-V756 HydrophobicContact CG2-CG2 4.17Å; V698-V783 HydrophobicContact CG2-CG1 3.49Å; V698-V783 VanDerWaalsContact CG2-CG1 3.49Å; V698-V783 HydrophobicContact CG2-CG2 4.4Å; V698-L786 HydrophobicContact CG1-CD1 3.77Å; V698-E813 CarbonylContact C-O 3.52Å; V698-E813 WeakPolarHBondContact CA-O 3.32Å; V698-A814 HydrophobicContact CG2-CB 4.4Å |
| 699 | T | 96.3 | Very high | 93.6 | Very high | 13 Ų | 13 | 30.2 Ų | 30.2 | 8% | 0.08 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 132.1 | 177.8 | -61.8 | 0 | 0 | 0 | 0 | 109 | D750 V752 I812 E813 | T699-D750 HydrophobicContact CG2-CB 3.87Å; T699-V752 HydrophobicContact CG2-CG2 4.23Å; T699-I812 WeakPolarHBondContact O-CA 3.32Å; T699-E813 PolarHBondContact N-O 3.04Å; T699-E813 PolarHBondContact O-N 2.92Å |
| 700 | V | 97.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 120.9 | 178.1 | -175.5 | 0 | 0 | 0 | 0 | 109.9 | V698 I702 V719 F751 F753 L764 I766 I812 | V698-V700 HydrophobicContact CG1-CG2 4.27Å; V700-I702 HydrophobicContact CG1-CD1 3.93Å; V700-V719 HydrophobicContact CB-CG1 4.23Å; V700-V719 HydrophobicContact CG1-CG1 4.17Å; V700-V719 HydrophobicContact CG1-CG2 4.37Å; V700-V719 HydrophobicContact CG2-CG1 4.31Å; V700-F751 PolarHBondContact N-O 3.04Å; V700-F751 WeakPolarHBondContact O-CB 3.38Å; V700-F751 PolarHBondContact O-N 2.67Å; V700-F753 HydrophobicContact CG2-CE2 4.33Å; V700-L764 HydrophobicContact CG2-CD1 4.09Å; V700-L764 HydrophobicContact CG2-CD2 3.81Å; V700-I766 HydrophobicContact CG1-CD1 4Å; V700-I812 HydrophobicContact CG1-CG1 4.42Å |
| 701 | R | 97.3 | Very high | 93.7 | Very high | 86 Ų | 86 | 33.5 Ų | 33.5 | 33% | 0.325 | 19% | 0.19 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 119.6 | 169.6 | -164.8 | 179.4 | -63.5 | 163.6 | 1.4 | 108.9 | I703 D750 V810 Y811 | R701-I703 HydrophobicContact CG-CG1 4.24Å; R701-D750 WeakPolarHBondContact CB-OD1 3.22Å; R701-D750 IonicContact CZ-OD1 2.69Å; R701-D750 VanDerWaalsContact CZ-OD1 3.28Å; R701-D750 IonicContact CZ-OD2 2.65Å; R701-D750 IonicContact NE-OD1 3.4Å; R701-D750 PolarHBondContact NE-OD1 3.44Å; R701-D750 IonicContact NE-OD2 3.49Å; R701-D750 VanDerWaalsContact NH2-CG 3.3Å; R701-D750 IonicContact NH2-OD1 2.72Å; R701-D750 PolarHBondContact NH2-OD1 2.95Å; R701-D750 IonicContact NH2-OD2 3.22Å; R701-D750 PolarHBondContact NH2-OD2 3.35Å; R701-V810 CarbonylContact O-C 3.6Å; R701-V810 VanDerWaalsContact O-CA 3.26Å; R701-V810 WeakPolarHBondContact O-CA 3.43Å; R701-V810 WeakPolarHBondContact O-CB 3.45Å; R701-Y811 PolarHBondContact N-O 3.22Å; R701-Y811 PolarHBondContact O-N 3.35Å |
| 702 | I | 97.8 | Very high | 94 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 117.5 | 170.6 | -54.5 | -56.4 | 0 | 0 | 0 | 107.4 | V700 V717 V719 T734 W746 F751 I766 V810 | V700-I702 HydrophobicContact CG1-CD1 3.93Å; I702-V717 HydrophobicContact CD1-CG1 4.01Å; I702-V717 HydrophobicContact CG1-CB 4.44Å; I702-V717 HydrophobicContact CG1-CG1 4.01Å; I702-V717 HydrophobicContact CG2-CB 4.1Å; I702-V717 HydrophobicContact CG2-CG1 4.29Å; I702-V717 HydrophobicContact CG2-CG2 4.05Å; I702-V719 HydrophobicContact CD1-CG2 3.8Å; I702-V719 HydrophobicContact CG1-CG2 3.82Å; I702-T734 HydrophobicContact CB-CG2 3.82Å; I702-T734 HydrophobicContact CG1-CG2 4.07Å; I702-T734 HydrophobicContact CG2-CG2 3.98Å; I702-W746 HydrophobicContact CG2-CD2 4.27Å; I702-W746 HydrophobicContact CG2-CE3 3.65Å; I702-W746 HydrophobicContact CG2-CZ3 4.02Å; I702-F751 HydrophobicContact CG1-CD2 4.33Å; I702-F751 HydrophobicContact CG1-CE2 3.93Å; I702-I766 HydrophobicContact CD1-CD1 4.29Å; I702-I766 HydrophobicContact CD1-CG2 4.08Å; I702-V810 HydrophobicContact CD1-CG1 3.58Å |
| 703 | I | 97.3 | Very high | 94.5 | Very high | 17 Ų | 17 | 32 Ų | 32 | 9% | 0.087 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | -50.4 | -170.7 | -52.9 | 171.4 | 0 | 0 | 0 | 110.3 | E225 I229 R701 V745 W746 Y790 L809 | E225-I703 HydrophobicContact CB-CG2 3.88Å; E225-I703 HydrophobicContact CG-CG2 3.83Å; I229-I703 HydrophobicContact CD1-CD1 4.38Å; R701-I703 HydrophobicContact CG-CG1 4.24Å; I703-V745 CarbonylContact O-C 3.54Å; I703-V745 WeakPolarHBondContact O-CA 3.06Å; I703-V745 WeakPolarHBondContact O-CG1 3.44Å; I703-W746 PolarHBondContact O-N 2.8Å; I703-Y790 HydrophobicContact CD1-CD1 3.53Å; I703-Y790 HydrophobicContact CD1-CE1 3.48Å; I703-Y790 VanDerWaalsContact CD1-CE1 3.48Å; I703-L809 HydrophobicContact CB-CG 4.42Å; I703-L809 WeakPolarHBondContact CB-O 3.4Å; I703-L809 HydrophobicContact CD1-CG 4.39Å; I703-L809 PolarHBondContact N-O 3.5Å |
| 704 | S | 97.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.007 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 166.1 | 179.4 | 65.9 | 0 | 0 | 0 | 0 | 112.7 | E225 Q706 P744 L808 L809 | E225-S704 WeakPolarHBondContact OE1-CB 3.47Å; E225-S704 PolarHBondContact OE1-OG 3.32Å; S704-Q706 PolarHBondContact OG-NE2 3.26Å; S704-P744 CarbonylContact C-O 3.3Å; S704-P744 WeakPolarHBondContact CA-O 3.49Å; S704-P744 WeakPolarHBondContact CB-O 3.45Å; S704-L808 CarbonylContact O-C 3.37Å; S704-L808 WeakPolarHBondContact O-CA 3.4Å; S704-L809 PolarHBondContact N-O 3.02Å; S704-L809 PolarHBondContact O-N 3.12Å; S704-L809 WeakPolarHBondContact OG-CB 2.94Å |
| 705 | G | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 156.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | D743 P744 S807 | G705-D743 WeakPolarHBondContact O-CA 3.38Å; G705-P744 PolarHBondContact N-O 3.36Å; G705-P744 WeakPolarHBondContact O-CD 3.25Å; G705-S807 CarbonylContact C-O 3.49Å; G705-S807 WeakPolarHBondContact CA-O 3.45Å |
| 706 | Q | 95.8 | Very high | 95.2 | Very high | 4 Ų | 4 | 26.6 Ų | 26.6 | 2% | 0.019 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 131.9 | 178.3 | -58.4 | 76.9 | 38.2 | 0 | 0 | 110.7 | S704 L708 M742 M805 S807 | S704-Q706 PolarHBondContact OG-NE2 3.26Å; Q706-L708 VanDerWaalsContact C-N 3.29Å; Q706-L708 PolarHBondContact O-N 3.32Å; Q706-M742 CarbonylContact C-O 3.59Å; Q706-M742 WeakPolarHBondContact CA-O 3.4Å; Q706-M805 VanDerWaalsContact O-O 3.13Å; Q706-S807 PolarHBondContact N-O 3.06Å; Q706-S807 PolarHBondContact O-N 2.89Å; Q706-S807 VanDerWaalsContact O-N 3.07Å; Q706-S807 PolarHBondContact OE1-O 3.38Å; Q706-S807 PolarHBondContact OE1-OG 3.19Å |
| 707 | F | 95.4 | Very high | 95.4 | Very high | 22 Ų | 22 | 26.3 Ų | 26.3 | 10% | 0.096 | 12% | 0.124 | C | C | . | . | S | Bend | trans | 47 | 47.1 | 174 | -45.7 | -50.6 | 0 | 0 | 0 | 113.5 | L154 F180 L217 L220 C221 M742 M805 A806 | L154-F707 HydrophobicContact CD2-CE2 4.34Å; F180-F707 AromaticContact CD1-CD1 3.73Å; F180-F707 HydrophobicContact CD1-CD1 3.73Å; F180-F707 AromaticContact CD1-CE1 3.7Å; F180-F707 HydrophobicContact CD1-CE1 3.7Å; F180-F707 HydrophobicContact CD1-CG 4.41Å; F180-F707 HydrophobicContact CD1-CZ 4.34Å; F180-F707 HydrophobicContact CE1-CD1 4.03Å; F180-F707 AromaticContact CE1-CE1 3.79Å; F180-F707 HydrophobicContact CE1-CE1 3.79Å; F180-F707 HydrophobicContact CE1-CE2 4.33Å; F180-F707 HydrophobicContact CE1-CG 4.43Å; F180-F707 AromaticContact CE1-CZ 3.95Å; F180-F707 HydrophobicContact CE1-CZ 3.95Å; L217-F707 HydrophobicContact CD2-CE2 4.24Å; L217-F707 HydrophobicContact CD2-CZ 3.98Å; L220-F707 HydrophobicContact CD2-CE1 4.29Å; C221-F707 HydrophobicContact CB-CE1 4.48Å; C221-F707 HydrophobicContact CB-CZ 4.18Å; F707-M742 HydrophobicContact CD1-CG 3.63Å; F707-M742 HydrophobicContact CE1-CG 3.81Å; F707-M742 HydrophobicContact CE1-SD 4.37Å; F707-M742 PolarHBondContact N-O 3Å; F707-M805 HydrophobicContact CB-CB 3.78Å; F707-M805 HydrophobicContact CB-CE 4.17Å; F707-M805 HydrophobicContact CD2-CB 4.07Å; F707-M805 HydrophobicContact CD2-CE 4.33Å; F707-M805 HydrophobicContact CD2-SD 4.16Å; F707-M805 HydrophobicContact CG-CB 4.34Å; F707-M805 HydrophobicContact CG-CE 4.2Å; F707-A806 WeakPolarHBondContact O-CA 3.46Å |
| 708 | L | 95.5 | Very high | 95.5 | Very high | 8 Ų | 8 | 28 Ų | 28 | 4% | 0.042 | 13% | 0.131 | C | C | . | . | trans | -72.4 | -38.7 | -170.2 | -66.4 | 174.3 | 0 | 0 | 0 | 112.8 | Q706 V715 S741 P744 W746 I776 L795 A806 S807 L808 | Q706-L708 VanDerWaalsContact C-N 3.29Å; Q706-L708 PolarHBondContact O-N 3.32Å; L708-V715 HydrophobicContact CD1-CG2 3.93Å; L708-S741 PolarHBondContact N-O 3.07Å; L708-P744 HydrophobicContact CD1-CG 4.06Å; L708-W746 HydrophobicContact CD1-CH2 4.03Å; L708-I776 HydrophobicContact CB-CD1 4.5Å; L708-I776 HydrophobicContact CB-CG2 4.4Å; L708-I776 WeakPolarHBondContact O-CG2 3.21Å; L708-L795 HydrophobicContact CD2-CD1 3.65Å; L708-A806 HydrophobicContact CD2-CB 4.23Å; L708-S807 WeakPolarHBondContact CD2-O 3.38Å; L708-L808 HydrophobicContact CD1-CD2 4.25Å; L708-L808 HydrophobicContact CD2-CD2 4.05Å | ||
| 709 | T | 92.1 | Very high | 95.6 | Very high | 21 Ų | 21 | 28 Ų | 28 | 13% | 0.129 | 13% | 0.131 | C | C | . | . | trans | -146.2 | 153.3 | 176.2 | 173 | 0 | 0 | 0 | 0 | 110.8 | K711 V713 V715 S741 E770 I776 | T709-K711 PolarHBondContact O-N 3.38Å; T709-V713 HydrophobicContact CG2-CG1 3.7Å; T709-V715 HydrophobicContact CG2-CG1 4.1Å; T709-S741 VanDerWaalsContact CG2-CB 3.42Å; T709-E770 HydrophobicContact CG2-CG 4.44Å; T709-E770 PolarHBondContact OG1-OE1 2.79Å; T709-I776 HydrophobicContact CG2-CD1 4.12Å | ||
| 710 | D | 87.1 | Confident | 95.6 | Very high | 98 Ų | 98 | 27.9 Ų | 27.9 | 52% | 0.524 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -74.9 | -9 | -178.4 | 71.5 | -30 | 0 | 0 | 0 | 113.3 | S181 | S181-D710 WeakPolarHBondContact CA-O 3.47Å; S181-D710 WeakPolarHBondContact CB-O 3.46Å |
| 711 | K | 89.6 | Confident | 95.6 | Very high | 83 Ų | 83 | 27.9 Ų | 27.9 | 36% | 0.361 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -99.6 | 148.7 | 176.9 | -64.4 | 162.5 | -141.6 | 147.4 | 0 | 111.4 | T709 V713 S741 E770 | T709-K711 PolarHBondContact O-N 3.38Å; K711-V713 HydrophobicContact CB-CG1 4.41Å; K711-V713 PolarHBondContact O-N 3.29Å; K711-S741 WeakPolarHBondContact O-CB 3.35Å; K711-S741 PolarHBondContact O-OG 3.05Å; K711-E770 IonicContact NZ-OE1 3.92Å; K711-E770 PolarHBondContact NZ-OE1 3.47Å |
| 712 | K | 91.3 | Very high | 95.6 | Very high | 139 Ų | 139 | 23.8 Ų | 23.8 | 60% | 0.604 | 11% | 0.114 | S | C | * | . | trans | -83.7 | 100.1 | 169.7 | -168.3 | 166.4 | -172.2 | 167.4 | 0 | 109.2 | D182 G739 | D182-K712 IonicContact OD2-NZ 2.69Å; D182-K712 PolarHBondContact OD2-NZ 2.96Å; K712-G739 VanDerWaalsContact CG-O 3.23Å; K712-G739 WeakPolarHBondContact CG-O 3.24Å | ||
| 713 | V | 94.6 | Very high | 95.5 | Very high | 28 Ų | 28 | 23.7 Ų | 23.7 | 17% | 0.17 | 11% | 0.114 | C | C | . | . | trans | -150.1 | 155.9 | -172.7 | 65.8 | 0 | 0 | 0 | 0 | 109.2 | T709 K711 V715 G739 N740 E770 | T709-V713 HydrophobicContact CG2-CG1 3.7Å; K711-V713 HydrophobicContact CB-CG1 4.41Å; K711-V713 PolarHBondContact O-N 3.29Å; V713-V715 HydrophobicContact CG1-CG1 4.29Å; V713-G739 CarbonylContact O-C 3.35Å; V713-N740 CarbonylContact O-C 3.55Å; V713-E770 HydrophobicContact CG1-CB 4.38Å; V713-E770 HydrophobicContact CG1-CG 3.94Å; V713-E770 HydrophobicContact CG2-CB 4.47Å | ||
| 714 | G | 96.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -66 | 146.6 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | S737 E770 E771 | G714-S737 WeakPolarHBondContact CA-O 3.41Å; G714-E770 CarbonylContact O-C 3.6Å; G714-E771 WeakPolarHBondContact O-CB 3.36Å; G714-E771 PolarHBondContact O-N 2.67Å | ||
| 715 | V | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 151.1 | 178.2 | -63.5 | 0 | 0 | 0 | 0 | 111.1 | L708 T709 V713 T736 S737 P744 W746 Y769 I776 | L708-V715 HydrophobicContact CD1-CG2 3.93Å; T709-V715 HydrophobicContact CG2-CG1 4.1Å; V713-V715 HydrophobicContact CG1-CG1 4.29Å; V715-T736 WeakPolarHBondContact O-CA 3.43Å; V715-S737 WeakPolarHBondContact CG2-OG 3.29Å; V715-S737 PolarHBondContact N-OG 3.42Å; V715-S737 PolarHBondContact O-N 2.8Å; V715-S737 PolarHBondContact O-OG 3.28Å; V715-P744 HydrophobicContact CG2-CB 4.45Å; V715-P744 HydrophobicContact CG2-CG 3.95Å; V715-W746 HydrophobicContact CG2-CH2 4.39Å; V715-W746 HydrophobicContact CG2-CZ2 4.12Å; V715-Y769 CarbonylContact C-O 3.48Å; V715-Y769 VanDerWaalsContact CA-O 3.23Å; V715-Y769 WeakPolarHBondContact CA-O 3.2Å; V715-Y769 WeakPolarHBondContact CB-O 3.23Å; V715-I776 HydrophobicContact CB-CD1 4.27Å; V715-I776 HydrophobicContact CG1-CD1 3.57Å |
| 716 | Y | 97.6 | Very high | 94.8 | Very high | 19 Ų | 19 | 31.2 Ų | 31.2 | 8% | 0.075 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 161.1 | 174.3 | 62.4 | -96.5 | 0 | 0 | 0 | 111 | E718 K733 A768 Y769 E770 | Y716-E718 HydrophobicContact CD2-CG 3.93Å; Y716-E718 HydrophobicContact CE2-CG 3.75Å; Y716-E718 WeakPolarHBondContact CE2-OE1 3.41Å; Y716-K733 HydrophobicContact CD2-CD 3.77Å; Y716-K733 HydrophobicContact CD2-CG 4.01Å; Y716-K733 VanDerWaalsContact CE1-NZ 3.32Å; Y716-K733 HydrophobicContact CE2-CD 3.91Å; Y716-K733 VanDerWaalsContact CE2-CE 3.49Å; Y716-K733 HydrophobicContact CG-CD 4.41Å; Y716-K733 VanDerWaalsContact CG-CE 3.49Å; Y716-K733 PolarHBondContact OH-NZ 3.26Å; Y716-A768 WeakPolarHBondContact O-CA 3.47Å; Y716-Y769 HydrophobicContact CD2-CD2 4.27Å; Y716-Y769 AromaticContact CE2-CD2 3.64Å; Y716-Y769 HydrophobicContact CE2-CD2 3.64Å; Y716-Y769 AromaticContact CE2-CG 3.8Å; Y716-Y769 HydrophobicContact CE2-CG 3.8Å; Y716-Y769 AromaticContact CZ-CG 3.93Å; Y716-Y769 PolarHBondContact N-O 2.97Å; Y716-Y769 PolarHBondContact O-N 3.49Å; Y716-E770 WeakPolarHBondContact CE1-O 3.3Å |
| 717 | V | 98.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 133.7 | 176.3 | -179.8 | 0 | 0 | 0 | 0 | 109.4 | I702 V719 K733 T734 W746 I766 S767 A768 L808 | I702-V717 HydrophobicContact CD1-CG1 4.01Å; I702-V717 HydrophobicContact CG1-CB 4.44Å; I702-V717 HydrophobicContact CG1-CG1 4.01Å; I702-V717 HydrophobicContact CG2-CB 4.1Å; I702-V717 HydrophobicContact CG2-CG1 4.29Å; I702-V717 HydrophobicContact CG2-CG2 4.05Å; V717-V719 HydrophobicContact CG1-CG2 4.43Å; V717-K733 CarbonylContact O-C 3.4Å; V717-K733 WeakPolarHBondContact O-CA 3.48Å; V717-T734 HydrophobicContact CB-CG2 4Å; V717-T734 PolarHBondContact N-OG1 3.38Å; V717-T734 PolarHBondContact O-N 2.88Å; V717-W746 HydrophobicContact CG2-CH2 3.66Å; V717-W746 HydrophobicContact CG2-CZ2 4.09Å; V717-W746 HydrophobicContact CG2-CZ3 3.99Å; V717-I766 HydrophobicContact CG1-CG2 3.55Å; V717-S767 CarbonylContact C-O 3.56Å; V717-S767 WeakPolarHBondContact CA-O 3.49Å; V717-A768 HydrophobicContact CG2-CB 4.38Å; V717-L808 HydrophobicContact CG1-CD1 3.82Å; V717-L808 HydrophobicContact CG2-CD1 3.84Å; V717-L808 HydrophobicContact CG2-CD2 3.76Å; V717-L808 HydrophobicContact CG2-CG 4.49Å |
| 718 | E | 97.6 | Very high | 94.5 | Very high | 48 Ų | 48 | 31.9 Ų | 31.9 | 22% | 0.224 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 141.4 | 169.4 | -58.2 | -169.6 | 164.6 | 0 | 0 | 110 | Y716 F732 K733 I766 S767 Y769 | Y716-E718 HydrophobicContact CD2-CG 3.93Å; Y716-E718 HydrophobicContact CE2-CG 3.75Å; Y716-E718 WeakPolarHBondContact CE2-OE1 3.41Å; E718-F732 WeakPolarHBondContact CA-O 3.22Å; E718-K733 HydrophobicContact CG-CB 4.19Å; E718-K733 HydrophobicContact CG-CD 4.2Å; E718-K733 HydrophobicContact CG-CG 4.23Å; E718-I766 WeakPolarHBondContact O-CA 3.36Å; E718-S767 PolarHBondContact N-O 2.97Å; E718-S767 PolarHBondContact O-N 3Å; E718-Y769 HydrophobicContact CB-CE2 4.32Å; E718-Y769 HydrophobicContact CG-CD2 4.1Å; E718-Y769 HydrophobicContact CG-CE2 4.04Å |
| 719 | V | 97.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 123 | 177.1 | -174.2 | 0 | 0 | 0 | 0 | 107.9 | V700 I702 V717 F732 F751 F753 L764 I766 | V700-V719 HydrophobicContact CB-CG1 4.23Å; V700-V719 HydrophobicContact CG1-CG1 4.17Å; V700-V719 HydrophobicContact CG1-CG2 4.37Å; V700-V719 HydrophobicContact CG2-CG1 4.31Å; I702-V719 HydrophobicContact CD1-CG2 3.8Å; I702-V719 HydrophobicContact CG1-CG2 3.82Å; V717-V719 HydrophobicContact CG1-CG2 4.43Å; V719-F732 HydrophobicContact CB-CB 4.22Å; V719-F732 PolarHBondContact N-O 3.32Å; V719-F751 HydrophobicContact CB-CD2 4.02Å; V719-F751 HydrophobicContact CG2-CD2 3.67Å; V719-F751 HydrophobicContact CG2-CE2 3.91Å; V719-F753 HydrophobicContact CG1-CE2 4.03Å; V719-F753 HydrophobicContact CG1-CZ 3.95Å; V719-L764 HydrophobicContact CG1-CD1 3.81Å; V719-I766 HydrophobicContact CG1-CG1 4.3Å; V719-I766 HydrophobicContact CG2-CG1 4.4Å |
| 720 | N | 96.6 | Very high | 94.1 | Very high | 9 Ų | 9 | 39.7 Ų | 39.7 | 5% | 0.048 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 148 | -177 | -53.8 | 159.5 | 0 | 0 | 0 | 109.4 | F722 K729 R730 L764 R765 | N720-F722 HydrophobicContact CB-CD2 4.34Å; N720-F722 HydrophobicContact CB-CE2 3.62Å; N720-F722 HydrophobicContact CB-CZ 4.31Å; N720-K729 CarbonylContact C-O 3.6Å; N720-K729 VanDerWaalsContact CA-O 3.31Å; N720-K729 WeakPolarHBondContact CA-O 3.41Å; N720-R730 HydrophobicContact CB-CG 4.32Å; N720-L764 CarbonylContact O-C 3.57Å; N720-R765 HydrophobicContact CB-CB 4.44Å; N720-R765 PolarHBondContact N-O 3.13Å; N720-R765 PolarHBondContact O-N 3.42Å |
| 721 | L | 97.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 137.4 | 168.6 | -169.4 | 148.5 | 0 | 0 | 0 | 108.9 | D727 T728 K729 F753 V756 A762 S763 V783 | L721-D727 HydrophobicContact CD2-CB 3.88Å; L721-D727 WeakPolarHBondContact CD2-O 3.47Å; L721-T728 CarbonylContact O-C 3.55Å; L721-T728 VanDerWaalsContact O-CA 3.28Å; L721-T728 WeakPolarHBondContact O-CA 3.38Å; L721-K729 PolarHBondContact N-O 2.73Å; L721-K729 PolarHBondContact O-N 2.85Å; L721-F753 HydrophobicContact CB-CD1 3.55Å; L721-F753 HydrophobicContact CB-CE1 3.34Å; L721-F753 HydrophobicContact CB-CG 4.43Å; L721-F753 HydrophobicContact CB-CZ 4.08Å; L721-F753 HydrophobicContact CD1-CB 4.25Å; L721-F753 HydrophobicContact CD1-CD1 3.86Å; L721-F753 HydrophobicContact CD1-CE1 4.38Å; L721-F753 HydrophobicContact CD1-CG 3.98Å; L721-F753 HydrophobicContact CG-CD1 4.27Å; L721-F753 HydrophobicContact CG-CE1 4.48Å; L721-V756 HydrophobicContact CD1-CG2 3.94Å; L721-A762 HydrophobicContact CD2-CB 4.14Å; L721-S763 WeakPolarHBondContact CA-O 3.38Å; L721-V783 HydrophobicContact CD1-CG2 3.93Å |
| 722 | F | 97.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 142.1 | 177.5 | -62.5 | -106.1 | 0 | 0 | 0 | 107.6 | M630 L651 L655 N720 R730 A762 S763 R765 | M630-F722 HydrophobicContact CE-CD1 4.47Å; M630-F722 HydrophobicContact CE-CE1 3.87Å; M630-F722 HydrophobicContact SD-CD1 3.86Å; M630-F722 HydrophobicContact SD-CE1 3.87Å; L651-F722 HydrophobicContact CD1-CZ 4.07Å; L651-F722 HydrophobicContact CD2-CE1 4.4Å; L651-F722 HydrophobicContact CD2-CZ 4.16Å; L651-F722 HydrophobicContact CG-CZ 4.38Å; L655-F722 HydrophobicContact CD1-CG 4.4Å; L655-F722 HydrophobicContact CD2-CB 4.33Å; L655-F722 HydrophobicContact CD2-CD1 3.91Å; L655-F722 HydrophobicContact CD2-CE1 4.49Å; L655-F722 HydrophobicContact CD2-CG 4.19Å; N720-F722 HydrophobicContact CB-CD2 4.34Å; N720-F722 HydrophobicContact CB-CE2 3.62Å; N720-F722 HydrophobicContact CB-CZ 4.31Å; F722-R730 VanDerWaalsContact CE1-CZ 3.44Å; F722-R730 VanDerWaalsContact CE1-NE 3.27Å; F722-A762 CarbonylContact O-C 3.59Å; F722-A762 VanDerWaalsContact O-CA 3.24Å; F722-A762 WeakPolarHBondContact O-CA 3.42Å; F722-S763 PolarHBondContact N-O 3.17Å; F722-S763 PolarHBondContact O-N 3.31Å; F722-R765 HydrophobicContact CD2-CB 4.34Å; F722-R765 HydrophobicContact CE2-CB 3.89Å |
| 723 | G | 95.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | S | Bend | trans | 171.6 | -139.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | Q632 N636 T728 | Q632-G723 WeakPolarHBondContact CG-O 3.27Å; N636-G723 PolarHBondContact ND2-O 2.81Å; N636-G723 PolarHBondContact OD1-O 3.42Å; G723-T728 PolarHBondContact N-OG1 2.84Å; G723-T728 VanDerWaalsContact N-OG1 3.1Å; G723-T728 PolarHBondContact O-OG1 2.84Å |
| 724 | L | 94.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -55.4 | 159.8 | 167.1 | -61.2 | 179.3 | 0 | 0 | 0 | 111.6 | N636 F682 R726 D727 T728 I757 L758 L761 | N636-L724 HydrophobicContact CB-CD2 4.41Å; F682-L724 HydrophobicContact CE1-CD2 4.2Å; F682-L724 HydrophobicContact CZ-CD1 3.93Å; F682-L724 HydrophobicContact CZ-CD2 3.95Å; L724-R726 VanDerWaalsContact C-N 3.25Å; L724-R726 PolarHBondContact O-N 2.79Å; L724-D727 HydrophobicContact CB-CB 4.34Å; L724-D727 PolarHBondContact O-N 3.01Å; L724-D727 VanDerWaalsContact O-N 3.17Å; L724-T728 WeakPolarHBondContact O-CB 3.19Å; L724-T728 PolarHBondContact O-N 3.25Å; L724-T728 PolarHBondContact O-OG1 2.65Å; L724-I757 HydrophobicContact CD1-CB 4.19Å; L724-I757 HydrophobicContact CD1-CG2 4.23Å; L724-L758 HydrophobicContact CD1-CB 3.64Å; L724-L758 HydrophobicContact CD1-CD2 4.42Å; L724-L758 HydrophobicContact CD2-CD2 4.3Å; L724-L758 HydrophobicContact CG-CB 4.06Å; L724-L758 HydrophobicContact CG-CD2 4.47Å; L724-L761 HydrophobicContact CD2-CD2 4.02Å |
| 725 | P | 92.6 | Very high | 94.2 | Very high | 60 Ų | 60 | 48.3 Ų | 48.3 | 39% | 0.39 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -37.9 | 179.3 | -23.9 | 35.8 | 0 | 0 | 0 | 112.9 | P684 Y685 | P684-P725 WeakPolarHBondContact O-CD 3.45Å; Y685-P725 HydrophobicContact CD1-CB 4.33Å; Y685-P725 HydrophobicContact CD1-CG 3.89Å; Y685-P725 HydrophobicContact CE1-CB 4.42Å; Y685-P725 HydrophobicContact CE1-CG 3.87Å |
| 726 | R | 90.7 | Very high | 94.1 | Very high | 117 Ų | 117 | 50.7 Ų | 50.7 | 44% | 0.442 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -34.5 | 177.9 | -172.7 | 61.6 | 169.3 | -161.1 | -7.8 | 113.6 | E687 L724 I757 | E687-R726 WeakPolarHBondContact OE1-CD 3.28Å; E687-R726 IonicContact OE1-CZ 3.18Å; E687-R726 VanDerWaalsContact OE1-CZ 3.23Å; E687-R726 IonicContact OE1-NE 2.74Å; E687-R726 IonicContact OE1-NH1 3.17Å; E687-R726 PolarHBondContact OE1-NH1 3.3Å; E687-R726 IonicContact OE2-CZ 3.36Å; E687-R726 IonicContact OE2-NE 2.58Å; E687-R726 IonicContact OE2-NH1 2.71Å; E687-R726 PolarHBondContact OE2-NH1 2.92Å; E687-R726 IonicContact OE2-NH2 3.92Å; E687-R726 PolarHBondContact OE2-NH2 2.81Å; L724-R726 VanDerWaalsContact C-N 3.25Å; L724-R726 PolarHBondContact O-N 2.79Å; R726-I757 HydrophobicContact CB-CD1 4.14Å; R726-I757 HydrophobicContact CG-CD1 3.89Å |
| 727 | D | 92.3 | Very high | 94 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -35.8 | 178.2 | -65.4 | -15.4 | 0 | 0 | 0 | 111.3 | L721 L724 K729 V756 I757 L758 | L721-D727 HydrophobicContact CD2-CB 3.88Å; L721-D727 WeakPolarHBondContact CD2-O 3.47Å; L724-D727 HydrophobicContact CB-CB 4.34Å; L724-D727 PolarHBondContact O-N 3.01Å; L724-D727 VanDerWaalsContact O-N 3.17Å; D727-K729 PolarHBondContact O-N 3.23Å; D727-V756 HydrophobicContact CB-CG1 4.35Å; D727-V756 WeakPolarHBondContact OD1-CA 3.18Å; D727-I757 VanDerWaalsContact CG-N 3.35Å; D727-I757 PolarHBondContact OD1-N 3.35Å; D727-I757 PolarHBondContact OD2-N 3.06Å; D727-L758 PolarHBondContact OD2-N 2.98Å |
| 728 | T | 92.9 | Very high | 93.6 | Very high | 39 Ų | 39 | 58.4 Ų | 58.4 | 24% | 0.239 | 26% | 0.263 | C | S | . | . | trans | -65.2 | 112.8 | -170.6 | -64.9 | 0 | 0 | 0 | 0 | 112.6 | L721 G723 L724 R730 | L721-T728 CarbonylContact O-C 3.55Å; L721-T728 VanDerWaalsContact O-CA 3.28Å; L721-T728 WeakPolarHBondContact O-CA 3.38Å; G723-T728 PolarHBondContact N-OG1 2.84Å; G723-T728 VanDerWaalsContact N-OG1 3.1Å; G723-T728 PolarHBondContact O-OG1 2.84Å; L724-T728 WeakPolarHBondContact O-CB 3.19Å; L724-T728 PolarHBondContact O-N 3.25Å; L724-T728 PolarHBondContact O-OG1 2.65Å; T728-R730 HydrophobicContact CG2-CG 4.47Å | ||
| 729 | K | 92.1 | Very high | 93.1 | Very high | 76 Ų | 76 | 57.5 Ų | 57.5 | 33% | 0.33 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 124.8 | -178.1 | -71.5 | 173.1 | -173.8 | 170 | 0 | 110.8 | N720 L721 D727 F753 | N720-K729 CarbonylContact C-O 3.6Å; N720-K729 VanDerWaalsContact CA-O 3.31Å; N720-K729 WeakPolarHBondContact CA-O 3.41Å; L721-K729 PolarHBondContact N-O 2.73Å; L721-K729 PolarHBondContact O-N 2.85Å; D727-K729 PolarHBondContact O-N 3.23Å; K729-F753 HydrophobicContact CB-CD1 4.08Å; K729-F753 HydrophobicContact CB-CE1 3.87Å; K729-F753 HydrophobicContact CD-CD1 4.06Å |
| 730 | R | 86.8 | Confident | 92.8 | Very high | 117 Ų | 117 | 59.7 Ų | 59.7 | 44% | 0.442 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 39.9 | -174 | -52.6 | -175.1 | -169.7 | 162.5 | 5.7 | 113.1 | N720 F722 T728 | N720-R730 HydrophobicContact CB-CG 4.32Å; F722-R730 VanDerWaalsContact CE1-CZ 3.44Å; F722-R730 VanDerWaalsContact CE1-NE 3.27Å; T728-R730 HydrophobicContact CG2-CG 4.47Å |
| 731 | R | 79.3 | Confident | 92.6 | Very high | 239 Ų | 239 | 59.3 Ų | 59.3 | 90% | 0.902 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.7 | -6.6 | -173.1 | -66.3 | -172.6 | -178.1 | 178.2 | 1.4 | 115.1 | ||
| 732 | F | 92.7 | Very high | 92.4 | Very high | 58 Ų | 58 | 59.4 Ų | 59.4 | 25% | 0.254 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 128.4 | -178.2 | -62.1 | -62.2 | 0 | 0 | 0 | 111.4 | E718 V719 F751 F753 | E718-F732 WeakPolarHBondContact CA-O 3.22Å; V719-F732 HydrophobicContact CB-CB 4.22Å; V719-F732 PolarHBondContact N-O 3.32Å; F732-F751 HydrophobicContact CB-CB 4.09Å; F732-F751 HydrophobicContact CB-CD1 3.65Å; F732-F751 HydrophobicContact CB-CD2 4.16Å; F732-F751 HydrophobicContact CB-CE1 4.05Å; F732-F751 HydrophobicContact CB-CG 3.71Å; F732-F751 HydrophobicContact CB-CZ 4.46Å; F732-F751 HydrophobicContact CD1-CB 4.05Å; F732-F751 AromaticContact CD1-CD1 3.42Å; F732-F751 HydrophobicContact CD1-CD1 3.42Å; F732-F751 VanDerWaalsContact CD1-CD1 3.42Å; F732-F751 HydrophobicContact CD1-CE1 4.16Å; F732-F751 HydrophobicContact CD1-CG 4Å; F732-F751 HydrophobicContact CD2-CB 4.01Å; F732-F751 HydrophobicContact CE1-CB 4.44Å; F732-F751 HydrophobicContact CE1-CD1 4.21Å; F732-F751 HydrophobicContact CE2-CB 4.4Å; F732-F751 HydrophobicContact CG-CB 3.81Å; F732-F751 AromaticContact CG-CD1 3.72Å; F732-F751 HydrophobicContact CG-CD1 3.72Å; F732-F751 HydrophobicContact CG-CE1 4.48Å; F732-F751 AromaticContact CG-CG 3.86Å; F732-F751 HydrophobicContact CG-CG 3.86Å; F732-F753 AromaticContact CD2-CE1 3.85Å; F732-F753 HydrophobicContact CD2-CE1 3.85Å; F732-F753 HydrophobicContact CD2-CE2 4.11Å; F732-F753 AromaticContact CD2-CZ 3.52Å; F732-F753 HydrophobicContact CD2-CZ 3.52Å; F732-F753 HydrophobicContact CE2-CD1 4.18Å; F732-F753 AromaticContact CE2-CE1 3.78Å; F732-F753 HydrophobicContact CE2-CE1 3.78Å; F732-F753 HydrophobicContact CE2-CE2 4.14Å; F732-F753 AromaticContact CE2-CZ 3.76Å; F732-F753 HydrophobicContact CE2-CZ 3.76Å |
| 733 | K | 95.2 | Very high | 92.3 | Very high | 90 Ų | 90 | 60.2 Ų | 60.2 | 39% | 0.391 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 137.9 | -177.9 | 167.3 | 167 | 172.4 | 162.1 | 0 | 109.1 | Y716 V717 E718 | Y716-K733 HydrophobicContact CD2-CD 3.77Å; Y716-K733 HydrophobicContact CD2-CG 4.01Å; Y716-K733 VanDerWaalsContact CE1-NZ 3.32Å; Y716-K733 HydrophobicContact CE2-CD 3.91Å; Y716-K733 VanDerWaalsContact CE2-CE 3.49Å; Y716-K733 HydrophobicContact CG-CD 4.41Å; Y716-K733 VanDerWaalsContact CG-CE 3.49Å; Y716-K733 PolarHBondContact OH-NZ 3.26Å; V717-K733 CarbonylContact O-C 3.4Å; V717-K733 WeakPolarHBondContact O-CA 3.48Å; E718-K733 HydrophobicContact CG-CB 4.19Å; E718-K733 HydrophobicContact CG-CD 4.2Å; E718-K733 HydrophobicContact CG-CG 4.23Å |
| 734 | T | 97.1 | Very high | 92.3 | Very high | 5 Ų | 5 | 60.4 Ų | 60.4 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 164.9 | 174.1 | 66.9 | 0 | 0 | 0 | 0 | 111.5 | I702 V717 W746 D748 F751 | I702-T734 HydrophobicContact CB-CG2 3.82Å; I702-T734 HydrophobicContact CG1-CG2 4.07Å; I702-T734 HydrophobicContact CG2-CG2 3.98Å; V717-T734 HydrophobicContact CB-CG2 4Å; V717-T734 PolarHBondContact N-OG1 3.38Å; V717-T734 PolarHBondContact O-N 2.88Å; T734-W746 HydrophobicContact CG2-CD2 4.49Å; T734-W746 HydrophobicContact CG2-CG 4.24Å; T734-W746 PolarHBondContact OG1-NE1 3.07Å; T734-D748 VanDerWaalsContact CA-OD2 3.26Å; T734-D748 WeakPolarHBondContact CA-OD2 3.31Å; T734-D748 VanDerWaalsContact CB-OD2 3.23Å; T734-D748 WeakPolarHBondContact CB-OD2 3.35Å; T734-F751 HydrophobicContact CG2-CE2 4.1Å; T734-F751 HydrophobicContact CG2-CZ 4.14Å |
| 735 | R | 95.9 | Very high | 92.4 | Very high | 136 Ų | 136 | 63.4 Ų | 63.4 | 51% | 0.513 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 148.6 | 162.5 | -61.9 | -172.7 | -61.1 | -91.9 | 18.6 | 109.8 | W746 E747 D748 | R735-W746 VanDerWaalsContact O-CD1 3.29Å; R735-W746 PolarHBondContact O-NE1 2.63Å; R735-E747 VanDerWaalsContact CZ-O 3.3Å; R735-E747 PolarHBondContact NH1-O 3.23Å; R735-E747 PolarHBondContact NH2-O 2.69Å; R735-D748 WeakPolarHBondContact CG-OD1 3.39Å; R735-D748 IonicContact CZ-OD1 2.76Å; R735-D748 PolarHBondContact N-OD2 3.22Å; R735-D748 IonicContact NE-OD1 3.19Å; R735-D748 IonicContact NH1-OD1 2.76Å; R735-D748 PolarHBondContact NH1-OD1 3.03Å |
| 736 | T | 96.6 | Very high | 92.6 | Very high | 50 Ų | 50 | 61.2 Ų | 61.2 | 31% | 0.307 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 135.3 | 170.5 | -51.3 | 0 | 0 | 0 | 0 | 109.1 | V715 E771 | V715-T736 WeakPolarHBondContact O-CA 3.43Å; T736-E771 HydrophobicContact CG2-CB 3.84Å; T736-E771 HydrophobicContact CG2-CG 3.94Å |
| 737 | S | 94.8 | Very high | 92.5 | Very high | 15 Ų | 15 | 63.4 Ų | 63.4 | 11% | 0.105 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 146.5 | 174.6 | 71.1 | 0 | 0 | 0 | 0 | 111.6 | G714 V715 G739 N740 | G714-S737 WeakPolarHBondContact CA-O 3.41Å; V715-S737 WeakPolarHBondContact CG2-OG 3.29Å; V715-S737 PolarHBondContact N-OG 3.42Å; V715-S737 PolarHBondContact O-N 2.8Å; V715-S737 PolarHBondContact O-OG 3.28Å; S737-G739 PolarHBondContact O-N 3.17Å; S737-N740 WeakPolarHBondContact CB-O 3.48Å; S737-N740 PolarHBondContact OG-O 3.11Å |
| 738 | N | 90.1 | Very high | 92.4 | Very high | 167 Ų | 167 | 64.7 Ų | 64.7 | 89% | 0.893 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -74.3 | 70.5 | -179.2 | -66.9 | -15.3 | 0 | 0 | 0 | 112 | N740 | N738-N740 PolarHBondContact O-N 2.83Š|
| 739 | G | 87.6 | Confident | 92.2 | Very high | 28 Ų | 28 | 65.3 Ų | 65.3 | 29% | 0.289 | 32% | 0.32 | S | S | . | . | S | Bend | trans | 70.1 | 11.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | K712 V713 S737 | K712-G739 VanDerWaalsContact CG-O 3.23Å; K712-G739 WeakPolarHBondContact CG-O 3.24Å; V713-G739 CarbonylContact O-C 3.35Å; S737-G739 PolarHBondContact O-N 3.17Å |
| 740 | N | 90.8 | Very high | 92.3 | Very high | 47 Ų | 47 | 64.9 Ų | 64.9 | 25% | 0.251 | 32% | 0.321 | S | S | . | . | trans | -105.2 | 111.8 | 179.4 | -170.6 | 4.9 | 0 | 0 | 0 | 111.8 | V713 S737 N738 M742 D743 P744 | V713-N740 CarbonylContact O-C 3.55Å; S737-N740 WeakPolarHBondContact CB-O 3.48Å; S737-N740 PolarHBondContact OG-O 3.11Å; N738-N740 PolarHBondContact O-N 2.83Å; N740-M742 PolarHBondContact OD1-N 2.86Å; N740-D743 VanDerWaalsContact ND2-C 3.28Å; N740-D743 PolarHBondContact ND2-O 2.83Å; N740-D743 PolarHBondContact ND2-OD1 3.48Å; N740-D743 PolarHBondContact OD1-N 3.35Å; N740-D743 PolarHBondContact OD1-OD1 2.92Å; N740-P744 WeakPolarHBondContact O-CB 3.39Å | ||
| 741 | S | 93.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -101.8 | -10.4 | 173.5 | 55.9 | 0 | 0 | 0 | 0 | 114 | S181 L708 T709 K711 | S181-S741 PolarHBondContact OG-OG 3.03Å; S181-S741 VanDerWaalsContact OG-OG 3.08Å; L708-S741 PolarHBondContact N-O 3.07Å; T709-S741 VanDerWaalsContact CG2-CB 3.42Å; K711-S741 WeakPolarHBondContact O-CB 3.35Å; K711-S741 PolarHBondContact O-OG 3.05Å |
| 742 | M | 92.7 | Very high | 93.5 | Very high | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.015 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -91.5 | -44.8 | -169.7 | -158.9 | -170.6 | 79 | 0 | 0 | 111.9 | D182 L220 Q706 F707 N740 | D182-M742 HydrophobicContact CB-SD 4.48Å; L220-M742 HydrophobicContact CD1-CE 3.89Å; L220-M742 HydrophobicContact CD1-SD 3.96Å; L220-M742 HydrophobicContact CG-CE 3.88Å; L220-M742 HydrophobicContact CG-SD 4.17Å; L220-M742 WeakPolarHBondContact O-CE 3.41Å; Q706-M742 CarbonylContact C-O 3.59Å; Q706-M742 WeakPolarHBondContact CA-O 3.4Å; F707-M742 HydrophobicContact CD1-CG 3.63Å; F707-M742 HydrophobicContact CE1-CG 3.81Å; F707-M742 HydrophobicContact CE1-SD 4.37Å; F707-M742 PolarHBondContact N-O 3Å; N740-M742 PolarHBondContact OD1-N 2.86Å |
| 743 | D | 94.6 | Very high | 93.6 | Very high | 17 Ų | 17 | 48.7 Ų | 48.7 | 9% | 0.091 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -147.2 | 53.5 | 178.3 | 58.6 | -10.9 | 0 | 0 | 0 | 113.5 | R185 C221 G705 N740 | R185-D743 IonicContact CZ-OD1 3.02Å; R185-D743 IonicContact CZ-OD2 3.06Å; R185-D743 IonicContact NH1-OD1 3.92Å; R185-D743 PolarHBondContact NH1-OD1 2.93Å; R185-D743 IonicContact NH1-OD2 3.21Å; R185-D743 PolarHBondContact NH1-OD2 3.43Å; R185-D743 IonicContact NH2-OD2 3.44Å; R185-D743 PolarHBondContact NH2-OD2 2.79Å; C221-D743 VanDerWaalsContact SG-CB 3.58Å; G705-D743 WeakPolarHBondContact O-CA 3.38Å; N740-D743 VanDerWaalsContact ND2-C 3.28Å; N740-D743 PolarHBondContact ND2-O 2.83Å; N740-D743 PolarHBondContact ND2-OD1 3.48Å; N740-D743 PolarHBondContact OD1-N 3.35Å; N740-D743 PolarHBondContact OD1-OD1 2.92Å |
| 744 | P | 95.9 | Very high | 93.4 | Very high | 4 Ų | 4 | 49.1 Ų | 49.1 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | trans | -64.2 | 139.6 | 173.5 | 27.8 | -35 | 0 | 0 | 0 | 112.1 | S704 G705 L708 V715 N740 W746 | S704-P744 CarbonylContact C-O 3.3Å; S704-P744 WeakPolarHBondContact CA-O 3.49Å; S704-P744 WeakPolarHBondContact CB-O 3.45Å; G705-P744 PolarHBondContact N-O 3.36Å; G705-P744 WeakPolarHBondContact O-CD 3.25Å; L708-P744 HydrophobicContact CD1-CG 4.06Å; V715-P744 HydrophobicContact CG2-CB 4.45Å; V715-P744 HydrophobicContact CG2-CG 3.95Å; N740-P744 WeakPolarHBondContact O-CB 3.39Å; P744-W746 HydrophobicContact CB-CH2 4.09Å; P744-W746 HydrophobicContact CB-CZ2 4.07Å; P744-W746 HydrophobicContact CB-CZ3 4.44Å; P744-W746 HydrophobicContact CG-CH2 3.7Å; P744-W746 HydrophobicContact CG-CZ2 4.11Å; P744-W746 HydrophobicContact CG-CZ3 4.13Å | ||
| 745 | V | 96.8 | Very high | 93.2 | Very high | 62 Ų | 62 | 50.5 Ų | 50.5 | 38% | 0.376 | 27% | 0.27 | S | S | . | . | B | Isolated β-bridge | trans | -116.6 | 139.6 | 169.5 | -178.8 | 0 | 0 | 0 | 0 | 107.9 | P224 E225 I703 | P224-V745 HydrophobicContact CG-CG2 4.42Å; E225-V745 HydrophobicContact CB-CG1 4.28Å; I703-V745 CarbonylContact O-C 3.54Å; I703-V745 WeakPolarHBondContact O-CA 3.06Å; I703-V745 WeakPolarHBondContact O-CG1 3.44Å |
| 746 | W | 95.8 | Very high | 93.2 | Very high | 15 Ų | 15 | 44 Ų | 44 | 6% | 0.057 | 25% | 0.246 | C | C | . | . | trans | -117.6 | 120.2 | -178.3 | -71.1 | -78.7 | 0 | 0 | 0 | 111 | I702 I703 L708 V715 V717 T734 R735 P744 D748 L808 | I702-W746 HydrophobicContact CG2-CD2 4.27Å; I702-W746 HydrophobicContact CG2-CE3 3.65Å; I702-W746 HydrophobicContact CG2-CZ3 4.02Å; I703-W746 PolarHBondContact O-N 2.8Å; L708-W746 HydrophobicContact CD1-CH2 4.03Å; V715-W746 HydrophobicContact CG2-CH2 4.39Å; V715-W746 HydrophobicContact CG2-CZ2 4.12Å; V717-W746 HydrophobicContact CG2-CH2 3.66Å; V717-W746 HydrophobicContact CG2-CZ2 4.09Å; V717-W746 HydrophobicContact CG2-CZ3 3.99Å; T734-W746 HydrophobicContact CG2-CD2 4.49Å; T734-W746 HydrophobicContact CG2-CG 4.24Å; T734-W746 PolarHBondContact OG1-NE1 3.07Å; R735-W746 VanDerWaalsContact O-CD1 3.29Å; R735-W746 PolarHBondContact O-NE1 2.63Å; P744-W746 HydrophobicContact CB-CH2 4.09Å; P744-W746 HydrophobicContact CB-CZ2 4.07Å; P744-W746 HydrophobicContact CB-CZ3 4.44Å; P744-W746 HydrophobicContact CG-CH2 3.7Å; P744-W746 HydrophobicContact CG-CZ2 4.11Å; P744-W746 HydrophobicContact CG-CZ3 4.13Å; W746-D748 PolarHBondContact O-N 2.98Å; W746-L808 HydrophobicContact CH2-CD2 4.28Å; W746-L808 HydrophobicContact CZ3-CD2 3.99Å | ||
| 747 | E | 90.3 | Very high | 93.1 | Very high | 163 Ų | 163 | 41.7 Ų | 41.7 | 76% | 0.762 | 23% | 0.232 | S | C | * | . | trans | -95.1 | 50.6 | 170.2 | -62.8 | 173.6 | 169.4 | 0 | 0 | 109.4 | R735 | R735-E747 VanDerWaalsContact CZ-O 3.3Å; R735-E747 PolarHBondContact NH1-O 3.23Å; R735-E747 PolarHBondContact NH2-O 2.69Å | ||
| 748 | D | 89 | Confident | 93.1 | Very high | 28 Ų | 28 | 41 Ų | 41 | 15% | 0.15 | 23% | 0.227 | C | C | . | . | trans | -93.1 | 148.9 | 173 | -79.3 | -57.7 | 0 | 0 | 0 | 110.4 | T734 R735 W746 | T734-D748 VanDerWaalsContact CA-OD2 3.26Å; T734-D748 WeakPolarHBondContact CA-OD2 3.31Å; T734-D748 VanDerWaalsContact CB-OD2 3.23Å; T734-D748 WeakPolarHBondContact CB-OD2 3.35Å; R735-D748 WeakPolarHBondContact CG-OD1 3.39Å; R735-D748 IonicContact CZ-OD1 2.76Å; R735-D748 PolarHBondContact N-OD2 3.22Å; R735-D748 IonicContact NE-OD1 3.19Å; R735-D748 IonicContact NH1-OD1 2.76Å; R735-D748 PolarHBondContact NH1-OD1 3.03Å; W746-D748 PolarHBondContact O-N 2.98Å | ||
| 749 | G | 89 | Confident | 93.3 | Very high | 52 Ų | 52 | 33.5 Ų | 33.5 | 54% | 0.536 | 19% | 0.187 | S | C | . | . | trans | -72.4 | 174.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | F751 | G749-F751 PolarHBondContact O-N 3.02Š| ||
| 750 | D | 94.3 | Very high | 93.6 | Very high | 67 Ų | 67 | 35.2 Ų | 35.2 | 36% | 0.358 | 20% | 0.195 | S | C | . | . | trans | -66.9 | 124.9 | -179.5 | -73.7 | -32.3 | 0 | 0 | 0 | 112.6 | T699 R701 V752 | T699-D750 HydrophobicContact CG2-CB 3.87Å; R701-D750 WeakPolarHBondContact CB-OD1 3.22Å; R701-D750 IonicContact CZ-OD1 2.69Å; R701-D750 VanDerWaalsContact CZ-OD1 3.28Å; R701-D750 IonicContact CZ-OD2 2.65Å; R701-D750 IonicContact NE-OD1 3.4Å; R701-D750 PolarHBondContact NE-OD1 3.44Å; R701-D750 IonicContact NE-OD2 3.49Å; R701-D750 VanDerWaalsContact NH2-CG 3.3Å; R701-D750 IonicContact NH2-OD1 2.72Å; R701-D750 PolarHBondContact NH2-OD1 2.95Å; R701-D750 IonicContact NH2-OD2 3.22Å; R701-D750 PolarHBondContact NH2-OD2 3.35Å; D750-V752 HydrophobicContact CB-CG2 3.89Å; D750-V752 PolarHBondContact O-N 3.16Å | ||
| 751 | F | 95.8 | Very high | 93.8 | Very high | 18 Ų | 18 | 33.6 Ų | 33.6 | 8% | 0.079 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 96.9 | 170.5 | -56.5 | -44.2 | 0 | 0 | 0 | 109.3 | V700 I702 V719 F732 T734 G749 | V700-F751 PolarHBondContact N-O 3.04Å; V700-F751 WeakPolarHBondContact O-CB 3.38Å; V700-F751 PolarHBondContact O-N 2.67Å; I702-F751 HydrophobicContact CG1-CD2 4.33Å; I702-F751 HydrophobicContact CG1-CE2 3.93Å; V719-F751 HydrophobicContact CB-CD2 4.02Å; V719-F751 HydrophobicContact CG2-CD2 3.67Å; V719-F751 HydrophobicContact CG2-CE2 3.91Å; F732-F751 HydrophobicContact CB-CB 4.09Å; F732-F751 HydrophobicContact CB-CD1 3.65Å; F732-F751 HydrophobicContact CB-CD2 4.16Å; F732-F751 HydrophobicContact CB-CE1 4.05Å; F732-F751 HydrophobicContact CB-CG 3.71Å; F732-F751 HydrophobicContact CB-CZ 4.46Å; F732-F751 HydrophobicContact CD1-CB 4.05Å; F732-F751 AromaticContact CD1-CD1 3.42Å; F732-F751 HydrophobicContact CD1-CD1 3.42Å; F732-F751 VanDerWaalsContact CD1-CD1 3.42Å; F732-F751 HydrophobicContact CD1-CE1 4.16Å; F732-F751 HydrophobicContact CD1-CG 4Å; F732-F751 HydrophobicContact CD2-CB 4.01Å; F732-F751 HydrophobicContact CE1-CB 4.44Å; F732-F751 HydrophobicContact CE1-CD1 4.21Å; F732-F751 HydrophobicContact CE2-CB 4.4Å; F732-F751 HydrophobicContact CG-CB 3.81Å; F732-F751 AromaticContact CG-CD1 3.72Å; F732-F751 HydrophobicContact CG-CD1 3.72Å; F732-F751 HydrophobicContact CG-CE1 4.48Å; F732-F751 AromaticContact CG-CG 3.86Å; F732-F751 HydrophobicContact CG-CG 3.86Å; T734-F751 HydrophobicContact CG2-CE2 4.1Å; T734-F751 HydrophobicContact CG2-CZ 4.14Å; G749-F751 PolarHBondContact O-N 3.02Å |
| 752 | V | 95 | Very high | 94 | Very high | 55 Ų | 55 | 33.6 Ų | 33.6 | 33% | 0.333 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 114.3 | -172.6 | -174.3 | 0 | 0 | 0 | 0 | 112.3 | T697 T699 D750 Y754 | T697-V752 HydrophobicContact CG2-CG1 4.26Å; T699-V752 HydrophobicContact CG2-CG2 4.23Å; D750-V752 HydrophobicContact CB-CG2 3.89Å; D750-V752 PolarHBondContact O-N 3.16Å; V752-Y754 PolarHBondContact O-N 3.16Å |
| 753 | F | 95.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 0% | 0.004 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 76.3 | 166.8 | -52.8 | -98.3 | 0 | 0 | 0 | 108 | V698 V700 V719 L721 K729 F732 K755 V756 L764 | V698-F753 HydrophobicContact CB-CB 4.18Å; V698-F753 HydrophobicContact CB-CD2 4.36Å; V698-F753 PolarHBondContact N-O 3.38Å; V698-F753 WeakPolarHBondContact O-CA 3.12Å; V698-F753 PolarHBondContact O-N 2.79Å; V700-F753 HydrophobicContact CG2-CE2 4.33Å; V719-F753 HydrophobicContact CG1-CE2 4.03Å; V719-F753 HydrophobicContact CG1-CZ 3.95Å; L721-F753 HydrophobicContact CB-CD1 3.55Å; L721-F753 HydrophobicContact CB-CE1 3.34Å; L721-F753 HydrophobicContact CB-CG 4.43Å; L721-F753 HydrophobicContact CB-CZ 4.08Å; L721-F753 HydrophobicContact CD1-CB 4.25Å; L721-F753 HydrophobicContact CD1-CD1 3.86Å; L721-F753 HydrophobicContact CD1-CE1 4.38Å; L721-F753 HydrophobicContact CD1-CG 3.98Å; L721-F753 HydrophobicContact CG-CD1 4.27Å; L721-F753 HydrophobicContact CG-CE1 4.48Å; K729-F753 HydrophobicContact CB-CD1 4.08Å; K729-F753 HydrophobicContact CB-CE1 3.87Å; K729-F753 HydrophobicContact CD-CD1 4.06Å; F732-F753 AromaticContact CD2-CE1 3.85Å; F732-F753 HydrophobicContact CD2-CE1 3.85Å; F732-F753 HydrophobicContact CD2-CE2 4.11Å; F732-F753 AromaticContact CD2-CZ 3.52Å; F732-F753 HydrophobicContact CD2-CZ 3.52Å; F732-F753 HydrophobicContact CE2-CD1 4.18Å; F732-F753 AromaticContact CE2-CE1 3.78Å; F732-F753 HydrophobicContact CE2-CE1 3.78Å; F732-F753 HydrophobicContact CE2-CE2 4.14Å; F732-F753 AromaticContact CE2-CZ 3.76Å; F732-F753 HydrophobicContact CE2-CZ 3.76Å; F753-K755 PolarHBondContact O-N 3.35Å; F753-V756 HydrophobicContact CB-CG2 3.96Å; F753-L764 HydrophobicContact CE2-CD1 4.04Å; F753-L764 HydrophobicContact CZ-CD1 4.18Å |
| 754 | Y | 90.4 | Very high | 94.4 | Very high | 98 Ų | 98 | 33.1 Ų | 33.1 | 38% | 0.384 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.4 | -42.3 | -167.2 | -178 | -107 | 0 | 0 | 0 | 115.1 | T697 V752 F817 N820 | T697-Y754 WeakPolarHBondContact CB-O 3.48Å; T697-Y754 PolarHBondContact OG1-O 3.41Å; V752-Y754 PolarHBondContact O-N 3.16Å; Y754-F817 HydrophobicContact CD1-CE2 4.06Å; Y754-F817 AromaticContact CE1-CE2 3.62Å; Y754-F817 HydrophobicContact CE1-CE2 3.62Å; Y754-F817 HydrophobicContact CE1-CZ 4.31Å; Y754-F817 AromaticContact CZ-CE2 3.95Å; Y754-F817 WeakPolarHBondContact O-CD2 3.47Å; Y754-N820 PolarHBondContact OH-ND2 2.83Å; Y754-N820 PolarHBondContact OH-OD1 2.83Å |
| 755 | K | 93.1 | Very high | 94.4 | Very high | 34 Ų | 34 | 33.2 Ų | 33.2 | 15% | 0.148 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 116.6 | 177.8 | -169.5 | -174.5 | -166.5 | -178.6 | 0 | 107.6 | E687 E688 F753 I757 F817 | E687-K755 PolarHBondContact O-NZ 3.17Å; E688-K755 IonicContact OE1-NZ 3.45Å; E688-K755 PolarHBondContact OE1-NZ 2.76Å; E688-K755 IonicContact OE2-NZ 2.87Å; E688-K755 PolarHBondContact OE2-NZ 3.34Å; F753-K755 PolarHBondContact O-N 3.35Å; K755-I757 HydrophobicContact CD-CG1 4.47Å; K755-I757 HydrophobicContact CG-CG1 4.22Å; K755-F817 HydrophobicContact CB-CD2 4.46Å; K755-F817 HydrophobicContact CB-CE2 4.31Å; K755-F817 HydrophobicContact CD-CE1 4.44Å; K755-F817 HydrophobicContact CD-CZ 4.4Å; K755-F817 HydrophobicContact CG-CD1 4.35Å; K755-F817 HydrophobicContact CG-CE1 4.16Å; K755-F817 HydrophobicContact CG-CE2 4.41Å; K755-F817 HydrophobicContact CG-CZ 4.2Å |
| 756 | V | 95.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 107.9 | 169.2 | -179.3 | 0 | 0 | 0 | 0 | 106.3 | A695 N696 V698 L721 D727 F753 P759 A762 | A695-V756 CarbonylContact C-O 3.58Å; A695-V756 VanDerWaalsContact CA-O 3.29Å; A695-V756 WeakPolarHBondContact CA-O 3.36Å; A695-V756 WeakPolarHBondContact CB-O 3.19Å; N696-V756 PolarHBondContact N-O 3.03Å; N696-V756 WeakPolarHBondContact O-CB 3.37Å; N696-V756 PolarHBondContact O-N 3.29Å; V698-V756 HydrophobicContact CG2-CG2 4.17Å; L721-V756 HydrophobicContact CD1-CG2 3.94Å; D727-V756 HydrophobicContact CB-CG1 4.35Å; D727-V756 WeakPolarHBondContact OD1-CA 3.18Å; F753-V756 HydrophobicContact CB-CG2 3.96Å; V756-P759 HydrophobicContact CG1-CG 4.33Å; V756-A762 HydrophobicContact CG1-CB 3.76Å |
| 757 | I | 94.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -75.5 | -37.6 | -166.2 | -61.4 | 171 | 0 | 0 | 0 | 111.6 | T686 E687 E688 V690 I693 L724 R726 D727 K755 P759 | T686-I757 HydrophobicContact CG2-CG2 4.01Å; T686-I757 VanDerWaalsContact O-CD1 3.28Å; T686-I757 WeakPolarHBondContact O-CD1 3.35Å; E687-I757 WeakPolarHBondContact O-CD1 3.34Å; E688-I757 WeakPolarHBondContact O-CG2 3.41Å; V690-I757 HydrophobicContact CG2-CG2 4.39Å; I693-I757 WeakPolarHBondContact CG2-O 3.5Å; L724-I757 HydrophobicContact CD1-CB 4.19Å; L724-I757 HydrophobicContact CD1-CG2 4.23Å; R726-I757 HydrophobicContact CB-CD1 4.14Å; R726-I757 HydrophobicContact CG-CD1 3.89Å; D727-I757 VanDerWaalsContact CG-N 3.35Å; D727-I757 PolarHBondContact OD1-N 3.35Å; D727-I757 PolarHBondContact OD2-N 3.06Å; K755-I757 HydrophobicContact CD-CG1 4.47Å; K755-I757 HydrophobicContact CG-CG1 4.22Å; I757-P759 WeakPolarHBondContact O-CD 3.26Å |
| 758 | L | 95.1 | Very high | 95 | Very high | 2 Ų | 2 | 21.8 Ų | 21.8 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | trans | -125.2 | 77.5 | 177.7 | -172.2 | 58.7 | 0 | 0 | 0 | 111.8 | P672 M675 F682 I693 L724 D727 S760 L761 A762 | P672-L758 HydrophobicContact CB-CD1 4.29Å; P672-L758 HydrophobicContact CG-CD2 4.41Å; M675-L758 HydrophobicContact SD-CD2 4.36Å; F682-L758 HydrophobicContact CE1-CD2 4.43Å; F682-L758 HydrophobicContact CZ-CD2 3.89Å; I693-L758 HydrophobicContact CD1-CD1 3.99Å; I693-L758 HydrophobicContact CG2-CD1 3.88Å; L724-L758 HydrophobicContact CD1-CB 3.64Å; L724-L758 HydrophobicContact CD1-CD2 4.42Å; L724-L758 HydrophobicContact CD2-CD2 4.3Å; L724-L758 HydrophobicContact CG-CB 4.06Å; L724-L758 HydrophobicContact CG-CD2 4.47Å; D727-L758 PolarHBondContact OD2-N 2.98Å; L758-S760 VanDerWaalsContact CD1-OG 3.31Å; L758-S760 WeakPolarHBondContact CD1-OG 3.5Å; L758-S760 PolarHBondContact O-N 3.15Å; L758-S760 VanDerWaalsContact O-N 3.1Å; L758-L761 HydrophobicContact CB-CB 4.41Å; L758-L761 HydrophobicContact CD2-CB 3.68Å; L758-L761 HydrophobicContact CD2-CD2 3.74Å; L758-L761 HydrophobicContact CD2-CG 4.37Å; L758-L761 HydrophobicContact CG-CB 3.73Å; L758-L761 PolarHBondContact O-N 2.87Å; L758-A762 PolarHBondContact O-N 3.39Å | ||
| 759 | P | 94.8 | Very high | 95.4 | Very high | 9 Ų | 9 | 22 Ų | 22 | 6% | 0.058 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -25.5 | -175.4 | -26.2 | 36.9 | 0 | 0 | 0 | 114.7 | N696 V756 I757 L761 A762 V783 S784 | N696-P759 HydrophobicContact CB-CB 4.18Å; N696-P759 HydrophobicContact CB-CG 3.61Å; V756-P759 HydrophobicContact CG1-CG 4.33Å; I757-P759 WeakPolarHBondContact O-CD 3.26Å; P759-L761 VanDerWaalsContact C-N 3.32Å; P759-A762 PolarHBondContact O-N 2.92Å; P759-V783 HydrophobicContact CB-CB 4.5Å; P759-V783 HydrophobicContact CB-CG1 3.97Å; P759-S784 PolarHBondContact O-N 3.01Å |
| 760 | S | 93.6 | Very high | 95.8 | Very high | 64 Ų | 64 | 19.9 Ų | 19.9 | 45% | 0.448 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -20.3 | 176.2 | 54.8 | 0 | 0 | 0 | 0 | 114.2 | P672 L758 | P672-S760 WeakPolarHBondContact CG-OG 3.42Å; L758-S760 VanDerWaalsContact CD1-OG 3.31Å; L758-S760 WeakPolarHBondContact CD1-OG 3.5Å; L758-S760 PolarHBondContact O-N 3.15Å; L758-S760 VanDerWaalsContact O-N 3.1Å |
| 761 | L | 95.7 | Very high | 95.8 | Very high | 12 Ų | 12 | 22.4 Ų | 22.4 | 6% | 0.063 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102 | -10 | 174.9 | -168.9 | 60.5 | 0 | 0 | 0 | 112.2 | F327 N636 P672 M675 L724 L758 P759 | F327-L761 HydrophobicContact CE2-CD1 3.6Å; F327-L761 HydrophobicContact CZ-CD1 3.7Å; N636-L761 WeakPolarHBondContact OD1-CD2 3.24Å; P672-L761 HydrophobicContact CG-CB 4.16Å; P672-L761 HydrophobicContact CG-CD1 4.5Å; M675-L761 HydrophobicContact CE-CD2 4.46Å; M675-L761 HydrophobicContact SD-CD2 4.02Å; L724-L761 HydrophobicContact CD2-CD2 4.02Å; L758-L761 HydrophobicContact CB-CB 4.41Å; L758-L761 HydrophobicContact CD2-CB 3.68Å; L758-L761 HydrophobicContact CD2-CD2 3.74Å; L758-L761 HydrophobicContact CD2-CG 4.37Å; L758-L761 HydrophobicContact CG-CB 3.73Å; L758-L761 PolarHBondContact O-N 2.87Å; P759-L761 VanDerWaalsContact C-N 3.32Å |
| 762 | A | 96.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.008 | 14% | 0.136 | C | C | . | . | trans | -87.6 | 137.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L721 F722 V756 L758 P759 V783 | L721-A762 HydrophobicContact CD2-CB 4.14Å; F722-A762 CarbonylContact O-C 3.59Å; F722-A762 VanDerWaalsContact O-CA 3.24Å; F722-A762 WeakPolarHBondContact O-CA 3.42Å; V756-A762 HydrophobicContact CG1-CB 3.76Å; L758-A762 PolarHBondContact O-N 3.39Å; P759-A762 PolarHBondContact O-N 2.92Å; A762-V783 HydrophobicContact CB-CB 4.06Å; A762-V783 HydrophobicContact CB-CG2 3.69Å; A762-V783 PolarHBondContact O-N 3.49Å | ||
| 763 | S | 97.2 | Very high | 95.6 | Very high | 9 Ų | 9 | 26 Ų | 26 | 6% | 0.063 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 127 | 175.7 | -72.4 | 0 | 0 | 0 | 0 | 111.6 | L721 F722 | L721-S763 WeakPolarHBondContact CA-O 3.38Å; F722-S763 PolarHBondContact N-O 3.17Å; F722-S763 PolarHBondContact O-N 3.31Å |
| 764 | L | 97.3 | Very high | 95.6 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 129.2 | 171.8 | -175.2 | 74.3 | 0 | 0 | 0 | 109.4 | V700 V719 N720 F753 I766 I780 L781 L786 | V700-L764 HydrophobicContact CG2-CD1 4.09Å; V700-L764 HydrophobicContact CG2-CD2 3.81Å; V719-L764 HydrophobicContact CG1-CD1 3.81Å; N720-L764 CarbonylContact O-C 3.57Å; F753-L764 HydrophobicContact CE2-CD1 4.04Å; F753-L764 HydrophobicContact CZ-CD1 4.18Å; L764-I766 HydrophobicContact CD2-CD1 4.1Å; L764-I766 HydrophobicContact CD2-CG1 4.29Å; L764-I766 HydrophobicContact CG-CG1 4.31Å; L764-I780 CarbonylContact O-C 3.56Å; L764-I780 WeakPolarHBondContact O-CA 3.48Å; L764-L781 WeakPolarHBondContact CB-O 3.49Å; L764-L781 PolarHBondContact N-O 3.02Å; L764-L781 PolarHBondContact O-N 2.99Å; L764-L786 HydrophobicContact CD2-CD1 4.13Å; L764-L786 HydrophobicContact CD2-CD2 4.04Å |
| 765 | R | 97.6 | Very high | 95.9 | Very high | 5 Ų | 5 | 29.9 Ų | 29.9 | 2% | 0.019 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 126.3 | 170.1 | 179.9 | 178 | 177.6 | -89.1 | 1.6 | 109 | L651 N720 F722 S767 Y769 R779 I780 | L651-R765 VanDerWaalsContact CD1-CZ 3.49Å; L651-R765 VanDerWaalsContact CD1-NE 3.33Å; N720-R765 HydrophobicContact CB-CB 4.44Å; N720-R765 PolarHBondContact N-O 3.13Å; N720-R765 PolarHBondContact O-N 3.42Å; F722-R765 HydrophobicContact CD2-CB 4.34Å; F722-R765 HydrophobicContact CE2-CB 3.89Å; R765-S767 PolarHBondContact NH1-OG 3.38Å; R765-Y769 PolarHBondContact NH2-OH 3.17Å; R765-R779 WeakPolarHBondContact CA-O 3.45Å; R765-I780 HydrophobicContact CB-CG1 4.16Å; R765-I780 HydrophobicContact CG-CG1 4.1Å |
| 766 | I | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 129.5 | 170.4 | -58.2 | -178.5 | 0 | 0 | 0 | 107.3 | V700 I702 V717 E718 V719 L764 H778 R779 I793 L808 | V700-I766 HydrophobicContact CG1-CD1 4Å; I702-I766 HydrophobicContact CD1-CD1 4.29Å; I702-I766 HydrophobicContact CD1-CG2 4.08Å; V717-I766 HydrophobicContact CG1-CG2 3.55Å; E718-I766 WeakPolarHBondContact O-CA 3.36Å; V719-I766 HydrophobicContact CG1-CG1 4.3Å; V719-I766 HydrophobicContact CG2-CG1 4.4Å; L764-I766 HydrophobicContact CD2-CD1 4.1Å; L764-I766 HydrophobicContact CD2-CG1 4.29Å; L764-I766 HydrophobicContact CG-CG1 4.31Å; I766-H778 CarbonylContact O-C 3.43Å; I766-H778 WeakPolarHBondContact O-CA 3.3Å; I766-H778 WeakPolarHBondContact O-CB 3.5Å; I766-R779 PolarHBondContact N-O 3.46Å; I766-R779 PolarHBondContact O-N 3.01Å; I766-I793 HydrophobicContact CD1-CD1 3.74Å; I766-L808 HydrophobicContact CG2-CD1 3.59Å |
| 767 | S | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 132.5 | -173.6 | 48.2 | 0 | 0 | 0 | 0 | 112.5 | V717 E718 R765 Y769 G777 | V717-S767 CarbonylContact C-O 3.56Å; V717-S767 WeakPolarHBondContact CA-O 3.49Å; E718-S767 PolarHBondContact N-O 2.97Å; E718-S767 PolarHBondContact O-N 3Å; R765-S767 PolarHBondContact NH1-OG 3.38Å; S767-Y769 WeakPolarHBondContact OG-CE2 3.38Å; S767-G777 CarbonylContact C-O 3.55Å; S767-G777 WeakPolarHBondContact CA-O 3.28Å |
| 768 | A | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 146.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y716 V717 I776 G777 L795 | Y716-A768 WeakPolarHBondContact O-CA 3.47Å; V717-A768 HydrophobicContact CG2-CB 4.38Å; A768-I776 HydrophobicContact CB-CB 4.18Å; A768-I776 HydrophobicContact CB-CG2 4.44Å; A768-I776 WeakPolarHBondContact O-CB 3.45Å; A768-I776 PolarHBondContact O-N 3.49Å; A768-G777 PolarHBondContact N-O 2.7Å; A768-G777 PolarHBondContact O-N 3.39Å; A768-L795 HydrophobicContact CB-CD1 3.75Å |
| 769 | Y | 97.5 | Very high | 96.4 | Very high | 34 Ų | 34 | 29.6 Ų | 29.6 | 13% | 0.133 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 149.6 | -179.4 | -64.9 | -93.3 | 0 | 0 | 0 | 110.8 | V715 Y716 E718 R765 S767 R774 F775 I776 | V715-Y769 CarbonylContact C-O 3.48Å; V715-Y769 VanDerWaalsContact CA-O 3.23Å; V715-Y769 WeakPolarHBondContact CA-O 3.2Å; V715-Y769 WeakPolarHBondContact CB-O 3.23Å; Y716-Y769 HydrophobicContact CD2-CD2 4.27Å; Y716-Y769 AromaticContact CE2-CD2 3.64Å; Y716-Y769 HydrophobicContact CE2-CD2 3.64Å; Y716-Y769 AromaticContact CE2-CG 3.8Å; Y716-Y769 HydrophobicContact CE2-CG 3.8Å; Y716-Y769 AromaticContact CZ-CG 3.93Å; Y716-Y769 PolarHBondContact N-O 2.97Å; Y716-Y769 PolarHBondContact O-N 3.49Å; E718-Y769 HydrophobicContact CB-CE2 4.32Å; E718-Y769 HydrophobicContact CG-CD2 4.1Å; E718-Y769 HydrophobicContact CG-CE2 4.04Å; R765-Y769 PolarHBondContact NH2-OH 3.17Å; S767-Y769 WeakPolarHBondContact OG-CE2 3.38Å; Y769-R774 CarbonylContact C-O 3.55Å; Y769-R774 VanDerWaalsContact CA-O 3.26Å; Y769-R774 WeakPolarHBondContact CA-O 3.39Å; Y769-F775 HydrophobicContact CD1-CB 4.3Å; Y769-F775 HydrophobicContact CD1-CD2 4.37Å; Y769-F775 HydrophobicContact CE1-CB 4.15Å; Y769-F775 AromaticContact CE1-CD2 3.76Å; Y769-F775 HydrophobicContact CE1-CD2 3.76Å; Y769-F775 HydrophobicContact CE1-CG 4.46Å; Y769-F775 AromaticContact CZ-CD2 3.96Å; Y769-I776 VanDerWaalsContact C-CD1 3.48Å |
| 770 | E | 96.6 | Very high | 96.6 | Very high | 7 Ų | 7 | 29.1 Ų | 29.1 | 3% | 0.033 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 154.3 | 162.6 | -61.8 | -176.7 | 174.5 | 0 | 0 | 109.4 | T709 K711 V713 G714 Y716 N772 G773 R774 I776 | T709-E770 HydrophobicContact CG2-CG 4.44Å; T709-E770 PolarHBondContact OG1-OE1 2.79Å; K711-E770 IonicContact NZ-OE1 3.92Å; K711-E770 PolarHBondContact NZ-OE1 3.47Å; V713-E770 HydrophobicContact CG1-CB 4.38Å; V713-E770 HydrophobicContact CG1-CG 3.94Å; V713-E770 HydrophobicContact CG2-CB 4.47Å; G714-E770 CarbonylContact O-C 3.6Å; Y716-E770 WeakPolarHBondContact CE1-O 3.3Å; E770-N772 WeakPolarHBondContact CB-OD1 3.22Å; E770-N772 PolarHBondContact O-N 3.29Å; E770-N772 PolarHBondContact OE2-ND2 3.5Å; E770-G773 PolarHBondContact O-N 3.42Å; E770-R774 HydrophobicContact CB-CB 4.17Å; E770-R774 HydrophobicContact CG-CB 4.33Å; E770-R774 PolarHBondContact N-O 2.97Å; E770-R774 WeakPolarHBondContact OE2-CD 3.44Å; E770-I776 HydrophobicContact CG-CD1 3.93Å; E770-I776 HydrophobicContact CG-CG1 3.97Å |
| 771 | E | 94.9 | Very high | 96.7 | Very high | 120 Ų | 120 | 26.1 Ų | 26.1 | 56% | 0.561 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -49.9 | -31.5 | 177.2 | 177.2 | 170.5 | -157.4 | 0 | 0 | 114.2 | G714 T736 G773 | G714-E771 WeakPolarHBondContact O-CB 3.36Å; G714-E771 PolarHBondContact O-N 2.67Å; T736-E771 HydrophobicContact CG2-CB 3.84Å; T736-E771 HydrophobicContact CG2-CG 3.94Å; E771-G773 PolarHBondContact O-N 3.08Å |
| 772 | N | 93.3 | Very high | 96.6 | Very high | 110 Ų | 110 | 26.5 Ų | 26.5 | 59% | 0.588 | 13% | 0.132 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | 0.4 | 176.6 | 61.6 | 37.8 | 0 | 0 | 0 | 114.5 | E770 R774 | E770-N772 WeakPolarHBondContact CB-OD1 3.22Å; E770-N772 PolarHBondContact O-N 3.29Å; E770-N772 PolarHBondContact OE2-ND2 3.5Å; N772-R774 WeakPolarHBondContact OD1-CB 3.34Å; N772-R774 PolarHBondContact OD1-N 2.88Å |
| 773 | G | 93.8 | Very high | 96.5 | Very high | 37 Ų | 37 | 26.4 Ų | 26.4 | 38% | 0.381 | 13% | 0.131 | S | C | . | . | S | Bend | trans | 88.2 | -1.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | E770 E771 F775 | E770-G773 PolarHBondContact O-N 3.42Å; E771-G773 PolarHBondContact O-N 3.08Å; G773-F775 PolarHBondContact O-N 3.45Å |
| 774 | R | 95.2 | Very high | 96.2 | Very high | 150 Ų | 150 | 28.6 Ų | 28.6 | 57% | 0.566 | 15% | 0.147 | S | C | * | . | trans | -65.3 | 130.6 | 175.4 | -179.5 | -173.5 | 175.2 | 132.9 | 4.1 | 110.3 | Y769 E770 N772 | Y769-R774 CarbonylContact C-O 3.55Å; Y769-R774 VanDerWaalsContact CA-O 3.26Å; Y769-R774 WeakPolarHBondContact CA-O 3.39Å; E770-R774 HydrophobicContact CB-CB 4.17Å; E770-R774 HydrophobicContact CG-CB 4.33Å; E770-R774 PolarHBondContact N-O 2.97Å; E770-R774 WeakPolarHBondContact OE2-CD 3.44Å; N772-R774 WeakPolarHBondContact OD1-CB 3.34Å; N772-R774 PolarHBondContact OD1-N 2.88Å | ||
| 775 | F | 96.5 | Very high | 95.9 | Very high | 31 Ų | 31 | 28.9 Ų | 28.9 | 14% | 0.136 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 138.4 | 172.9 | -175.9 | -102.8 | 0 | 0 | 0 | 112 | Y769 G773 G777 H778 E798 | Y769-F775 HydrophobicContact CD1-CB 4.3Å; Y769-F775 HydrophobicContact CD1-CD2 4.37Å; Y769-F775 HydrophobicContact CE1-CB 4.15Å; Y769-F775 AromaticContact CE1-CD2 3.76Å; Y769-F775 HydrophobicContact CE1-CD2 3.76Å; Y769-F775 HydrophobicContact CE1-CG 4.46Å; Y769-F775 AromaticContact CZ-CD2 3.96Å; G773-F775 PolarHBondContact O-N 3.45Å; F775-G777 VanDerWaalsContact CZ-C 3.44Å; F775-G777 VanDerWaalsContact CZ-CA 3.46Å; F775-H778 HydrophobicContact CE2-CB 3.93Å; F775-H778 HydrophobicContact CZ-CB 3.79Å; F775-H778 AromaticContact CZ-CG 3.93Å; F775-H778 AromaticContact CZ-ND1 3.72Å; F775-E798 HydrophobicContact CD1-CG 3.7Å; F775-E798 VanDerWaalsContact CD1-OE1 3.3Å; F775-E798 WeakPolarHBondContact CD1-OE1 3.5Å; F775-E798 VanDerWaalsContact CE1-CD 3.47Å; F775-E798 HydrophobicContact CE1-CG 3.56Å; F775-E798 HydrophobicContact CZ-CG 4.32Å |
| 776 | I | 96.8 | Very high | 95.6 | Very high | 22 Ų | 22 | 28.8 Ų | 28.8 | 11% | 0.113 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | -48.5 | 173.4 | -66.2 | 175.2 | 0 | 0 | 0 | 110.6 | L708 T709 V715 A768 Y769 E770 L803 | L708-I776 HydrophobicContact CB-CD1 4.5Å; L708-I776 HydrophobicContact CB-CG2 4.4Å; L708-I776 WeakPolarHBondContact O-CG2 3.21Å; T709-I776 HydrophobicContact CG2-CD1 4.12Å; V715-I776 HydrophobicContact CB-CD1 4.27Å; V715-I776 HydrophobicContact CG1-CD1 3.57Å; A768-I776 HydrophobicContact CB-CB 4.18Å; A768-I776 HydrophobicContact CB-CG2 4.44Å; A768-I776 WeakPolarHBondContact O-CB 3.45Å; A768-I776 PolarHBondContact O-N 3.49Å; Y769-I776 VanDerWaalsContact C-CD1 3.48Å; E770-I776 HydrophobicContact CG-CD1 3.93Å; E770-I776 HydrophobicContact CG-CG1 3.97Å; I776-L803 WeakPolarHBondContact O-CD1 3.32Å |
| 777 | G | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.8 | 164.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S767 A768 F775 R796 | S767-G777 CarbonylContact C-O 3.55Å; S767-G777 WeakPolarHBondContact CA-O 3.28Å; A768-G777 PolarHBondContact N-O 2.7Å; A768-G777 PolarHBondContact O-N 3.39Å; F775-G777 VanDerWaalsContact CZ-C 3.44Å; F775-G777 VanDerWaalsContact CZ-CA 3.46Å; G777-R796 CarbonylContact C-O 3.6Å; G777-R796 WeakPolarHBondContact CA-O 3.38Å |
| 778 | H | 98 | Very high | 95 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 171.1 | -177.5 | 79.1 | -50.9 | 0 | 0 | 0 | 113.8 | I766 F775 I780 R796 T797 | I766-H778 CarbonylContact O-C 3.43Å; I766-H778 WeakPolarHBondContact O-CA 3.3Å; I766-H778 WeakPolarHBondContact O-CB 3.5Å; F775-H778 HydrophobicContact CE2-CB 3.93Å; F775-H778 HydrophobicContact CZ-CB 3.79Å; F775-H778 AromaticContact CZ-CG 3.93Å; F775-H778 AromaticContact CZ-ND1 3.72Å; H778-I780 WeakPolarHBondContact NE2-CD1 3.49Å; H778-R796 PolarHBondContact N-O 3.34Å; H778-R796 PolarHBondContact ND1-O 2.91Å; H778-R796 WeakPolarHBondContact O-CB 3.47Å; H778-R796 PolarHBondContact O-N 2.82Å; H778-T797 PolarHBondContact CE1-O 3.06Å; H778-T797 PolarHBondContact ND1-O 2.85Å |
| 779 | R | 97.6 | Very high | 94.9 | Very high | 9 Ų | 9 | 33.7 Ų | 33.7 | 3% | 0.034 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 146.1 | 162.4 | -165.1 | 74.3 | -171.6 | 117.5 | -0.5 | 109.6 | N147 E661 R765 I766 L781 I793 N800 | N147-R779 PolarHBondContact OD1-NH2 3.28Å; E661-R779 IonicContact OE1-NH2 2.84Å; E661-R779 IonicContact OE2-CZ 3.16Å; E661-R779 VanDerWaalsContact OE2-CZ 3.26Å; E661-R779 IonicContact OE2-NH1 3.97Å; E661-R779 PolarHBondContact OE2-NH1 3.46Å; E661-R779 IonicContact OE2-NH2 2.67Å; E661-R779 PolarHBondContact OE2-NH2 3.07Å; R765-R779 WeakPolarHBondContact CA-O 3.45Å; I766-R779 PolarHBondContact N-O 3.46Å; I766-R779 PolarHBondContact O-N 3.01Å; R779-L781 HydrophobicContact CG-CD2 3.81Å; R779-L781 HydrophobicContact CG-CG 4.1Å; R779-I793 HydrophobicContact CB-CG2 3.5Å; R779-I793 HydrophobicContact CG-CG2 3.86Å; R779-N800 PolarHBondContact NH1-OD1 3.43Å; R779-N800 VanDerWaalsContact NH1-OD1 3.08Å |
| 780 | I | 97.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 132.4 | 173.6 | -70.5 | 150.8 | 0 | 0 | 0 | 108.7 | Q654 L655 V659 Y662 L764 R765 H778 | Q654-I780 WeakPolarHBondContact O-CD1 3.3Å; L655-I780 HydrophobicContact CD1-CD1 4.48Å; L655-I780 HydrophobicContact CD1-CG2 4.39Å; V659-I780 HydrophobicContact CG1-CG2 4.23Å; Y662-I780 PolarHBondContact OH-O 3.49Å; L764-I780 CarbonylContact O-C 3.56Å; L764-I780 WeakPolarHBondContact O-CA 3.48Å; R765-I780 HydrophobicContact CB-CG1 4.16Å; R765-I780 HydrophobicContact CG-CG1 4.1Å; H778-I780 WeakPolarHBondContact NE2-CD1 3.49Å |
| 781 | L | 95.9 | Very high | 94.8 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 112.5 | -171.1 | -56.8 | 171.5 | 0 | 0 | 0 | 108.9 | L308 L764 R779 L786 I793 I812 | L308-L781 HydrophobicContact CD1-CD2 4.02Å; L308-L781 HydrophobicContact CD2-CD2 3.61Å; L308-L781 HydrophobicContact CG-CD2 3.82Å; L764-L781 WeakPolarHBondContact CB-O 3.49Å; L764-L781 PolarHBondContact N-O 3.02Å; L764-L781 PolarHBondContact O-N 2.99Å; R779-L781 HydrophobicContact CG-CD2 3.81Å; R779-L781 HydrophobicContact CG-CG 4.1Å; L781-L786 HydrophobicContact CB-CD2 3.6Å; L781-L786 HydrophobicContact CD1-CD2 3.84Å; L781-L786 HydrophobicContact CG-CD2 4.34Å; L781-I793 HydrophobicContact CD1-CD1 3.78Å; L781-I812 HydrophobicContact CD1-CD1 4.47Å |
| 782 | P | 95.1 | Very high | 94.8 | Very high | 19 Ų | 19 | 27.7 Ų | 27.7 | 12% | 0.123 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.5 | 137.9 | 172.1 | -24.6 | 34 | 0 | 0 | 0 | 110.9 | Y662 S784 S785 L786 | Y662-P782 HydrophobicContact CD1-CG 4.3Å; Y662-P782 HydrophobicContact CD2-CG 3.92Å; Y662-P782 HydrophobicContact CE1-CG 4.2Å; Y662-P782 VanDerWaalsContact CE2-CD 3.42Å; Y662-P782 HydrophobicContact CE2-CG 3.8Å; Y662-P782 HydrophobicContact CG-CG 4.19Å; Y662-P782 WeakPolarHBondContact OH-CD 3.39Å; P782-S784 VanDerWaalsContact C-N 3.27Å; P782-S784 PolarHBondContact O-N 2.85Å; P782-S785 CarbonylContact O-C 3.54Å; P782-S785 WeakPolarHBondContact O-CA 3.22Å; P782-S785 WeakPolarHBondContact O-CB 3.3Å; P782-S785 PolarHBondContact O-N 3.46Å; P782-L786 PolarHBondContact O-N 3.18Å |
| 783 | V | 95 | Very high | 95 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | G | 310 helix | trans | -65.4 | -33.3 | -175.8 | 174 | 0 | 0 | 0 | 0 | 111.6 | R258 V698 L721 P759 A762 S785 L786 | R258-V783 PolarHBondContact NH1-O 3.14Å; R258-V783 PolarHBondContact NH2-O 3.47Å; V698-V783 HydrophobicContact CG2-CG1 3.49Å; V698-V783 VanDerWaalsContact CG2-CG1 3.49Å; V698-V783 HydrophobicContact CG2-CG2 4.4Å; L721-V783 HydrophobicContact CD1-CG2 3.93Å; P759-V783 HydrophobicContact CB-CB 4.5Å; P759-V783 HydrophobicContact CB-CG1 3.97Å; A762-V783 HydrophobicContact CB-CB 4.06Å; A762-V783 HydrophobicContact CB-CG2 3.69Å; A762-V783 PolarHBondContact O-N 3.49Å; V783-S785 PolarHBondContact O-N 3.45Å; V783-L786 HydrophobicContact CB-CD1 4.43Å; V783-L786 HydrophobicContact CG1-CD1 4.39Å; V783-L786 HydrophobicContact CG2-CD1 4.32Å; V783-L786 PolarHBondContact O-N 3.33Å |
| 784 | S | 90.8 | Very high | 95.1 | Very high | 55 Ų | 55 | 21.6 Ų | 21.6 | 39% | 0.385 | 10% | 0.099 | S | C | . | . | G | 310 helix | trans | -63.3 | -13.8 | 168.9 | 53.2 | 0 | 0 | 0 | 0 | 114.7 | P759 P782 | P759-S784 PolarHBondContact O-N 3.01Å; P782-S784 VanDerWaalsContact C-N 3.27Å; P782-S784 PolarHBondContact O-N 2.85Å |
| 785 | S | 89.4 | Confident | 95.3 | Very high | 6 Ų | 6 | 14.4 Ų | 14.4 | 4% | 0.042 | 7% | 0.072 | C | C | . | . | G | 310 helix | trans | -112.6 | 1.2 | -178.7 | -59 | 0 | 0 | 0 | 0 | 113.7 | P309 K312 P782 V783 K787 | P309-S785 WeakPolarHBondContact CD-O 3.2Å; K312-S785 WeakPolarHBondContact CG-OG 3.42Å; P782-S785 CarbonylContact O-C 3.54Å; P782-S785 WeakPolarHBondContact O-CA 3.22Å; P782-S785 WeakPolarHBondContact O-CB 3.3Å; P782-S785 PolarHBondContact O-N 3.46Å; V783-S785 PolarHBondContact O-N 3.45Å; S785-K787 PolarHBondContact O-N 3.33Å |
| 786 | L | 92 | Very high | 95.3 | Very high | 3 Ų | 3 | 13.2 Ų | 13.2 | 2% | 0.016 | 7% | 0.066 | C | C | . | . | P | Polyproline II helix | trans | -71.6 | 121.3 | 179.6 | -68.9 | 176 | 0 | 0 | 0 | 111.9 | R258 V698 L764 L781 P782 V783 I812 A814 | R258-L786 PolarHBondContact NH2-O 2.82Å; V698-L786 HydrophobicContact CG1-CD1 3.77Å; L764-L786 HydrophobicContact CD2-CD1 4.13Å; L764-L786 HydrophobicContact CD2-CD2 4.04Å; L781-L786 HydrophobicContact CB-CD2 3.6Å; L781-L786 HydrophobicContact CD1-CD2 3.84Å; L781-L786 HydrophobicContact CG-CD2 4.34Å; P782-L786 PolarHBondContact O-N 3.18Å; V783-L786 HydrophobicContact CB-CD1 4.43Å; V783-L786 HydrophobicContact CG1-CD1 4.39Å; V783-L786 HydrophobicContact CG2-CD1 4.32Å; V783-L786 PolarHBondContact O-N 3.33Å; L786-I812 HydrophobicContact CB-CG2 4.2Å; L786-I812 HydrophobicContact CD1-CG2 4.25Å; L786-I812 HydrophobicContact CD2-CD1 4.32Å; L786-I812 HydrophobicContact CD2-CG2 4.34Å; L786-A814 HydrophobicContact CB-CB 4.21Å; L786-A814 HydrophobicContact CD1-CB 4.44Å |
| 787 | K | 90.9 | Very high | 95.2 | Very high | 54 Ų | 54 | 13.3 Ų | 13.3 | 24% | 0.235 | 7% | 0.068 | C | C | . | . | P | Polyproline II helix | trans | -81.6 | 141 | 166.5 | -75.7 | 171.8 | 169.1 | 172.6 | 0 | 110.9 | N306 L308 S785 | N306-K787 WeakPolarHBondContact O-CD 3.43Å; L308-K787 WeakPolarHBondContact O-CE 3.47Å; L308-K787 PolarHBondContact O-NZ 2.89Å; S785-K787 PolarHBondContact O-N 3.33Å |
| 788 | R | 93 | Very high | 95.1 | Very high | 50 Ų | 50 | 16.9 Ų | 16.9 | 19% | 0.189 | 9% | 0.085 | C | C | . | . | P | Polyproline II helix | trans | -68.5 | 160.1 | 172.8 | -159.3 | -176.6 | -174.5 | -156.2 | -4.6 | 112.1 | D252 Q254 R255 R791 I812 E813 | D252-R788 PolarHBondContact O-NH1 3.4Å; Q254-R788 VanDerWaalsContact O-O 3.07Å; R255-R788 VanDerWaalsContact O-CB 3.32Å; R255-R788 WeakPolarHBondContact O-CB 3.48Å; R255-R788 WeakPolarHBondContact O-CD 3.34Å; R788-R791 PolarHBondContact O-NE 3.43Å; R788-R791 PolarHBondContact O-NH2 2.94Å; R788-I812 CarbonylContact C-O 3.49Å; R788-I812 VanDerWaalsContact CA-O 3.25Å; R788-I812 WeakPolarHBondContact CA-O 3.44Å; R788-E813 HydrophobicContact CG-CB 4.2Å; R788-E813 HydrophobicContact CG-CG 4.31Å; R788-E813 IonicContact CZ-OE1 2.67Å; R788-E813 IonicContact NE-OE1 3.28Å; R788-E813 PolarHBondContact NE-OE1 3.1Å; R788-E813 IonicContact NH2-OE1 3.37Å; R788-E813 PolarHBondContact NH2-OE1 3.39Å |
| 789 | G | 94.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 98.9 | -166.9 | 164.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | K253 Q254 R791 Y811 I812 | K253-G789 WeakPolarHBondContact O-CA 3.37Å; K253-G789 PolarHBondContact O-N 3.41Å; Q254-G789 VanDerWaalsContact OE1-CA 3.25Å; G789-R791 PolarHBondContact O-N 3.49Å; G789-Y811 WeakPolarHBondContact O-CA 3.46Å; G789-I812 PolarHBondContact N-O 2.76Å; G789-I812 PolarHBondContact O-N 3.07Å |
| 790 | Y | 96.6 | Very high | 94.8 | Very high | 10 Ų | 10 | 17.6 Ų | 17.6 | 4% | 0.039 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 114.8 | 177.2 | -66.6 | -73.8 | 0 | 0 | 0 | 110.5 | I229 E232 F249 Q254 N305 I703 V810 Y811 | I229-Y790 HydrophobicContact CD1-CD1 3.63Å; I229-Y790 HydrophobicContact CD1-CE1 3.65Å; I229-Y790 HydrophobicContact CD1-CG 4.26Å; I229-Y790 HydrophobicContact CG1-CD1 4.14Å; I229-Y790 HydrophobicContact CG1-CE1 3.7Å; I229-Y790 HydrophobicContact CG1-CE2 4.42Å; I229-Y790 HydrophobicContact CG2-CD1 4.44Å; I229-Y790 HydrophobicContact CG2-CD2 3.81Å; I229-Y790 HydrophobicContact CG2-CE1 4.37Å; I229-Y790 HydrophobicContact CG2-CE2 3.7Å; I229-Y790 HydrophobicContact CG2-CG 4.17Å; E232-Y790 PolarHBondContact OE2-OH 3.43Å; F249-Y790 AromaticContact CE2-CD2 3.94Å; F249-Y790 HydrophobicContact CE2-CD2 3.94Å; F249-Y790 HydrophobicContact CZ-CD2 4.42Å; Q254-Y790 PolarHBondContact NE2-O 3.17Å; N305-Y790 PolarHBondContact ND2-O 3.29Å; I703-Y790 HydrophobicContact CD1-CD1 3.53Å; I703-Y790 HydrophobicContact CD1-CE1 3.48Å; I703-Y790 VanDerWaalsContact CD1-CE1 3.48Å; Y790-V810 WeakPolarHBondContact CA-O 3.34Å; Y790-Y811 HydrophobicContact CD1-CD2 4.06Å; Y790-Y811 HydrophobicContact CD2-CD2 4.1Å; Y790-Y811 AromaticContact CE1-CD2 3.94Å; Y790-Y811 HydrophobicContact CE1-CD2 3.94Å; Y790-Y811 HydrophobicContact CE1-CG 4.3Å; Y790-Y811 HydrophobicContact CE2-CD2 4.02Å; Y790-Y811 HydrophobicContact CE2-CE2 4.47Å; Y790-Y811 HydrophobicContact CG-CD2 4.15Å; Y790-Y811 AromaticContact CZ-CD2 3.94Å |
| 791 | R | 95.3 | Very high | 94.6 | Very high | 15 Ų | 15 | 18.2 Ų | 18.2 | 6% | 0.057 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 145.8 | -172.1 | -57.9 | -63.8 | 174.8 | 173.3 | -6.8 | 111.4 | Q254 N305 N306 R788 G789 V810 | Q254-R791 PolarHBondContact O-NH2 3.43Å; N305-R791 VanDerWaalsContact C-NH1 3.29Å; N305-R791 VanDerWaalsContact O-CD 3.24Å; N305-R791 WeakPolarHBondContact O-CD 3.31Å; N305-R791 PolarHBondContact O-NH1 3.21Å; N305-R791 PolarHBondContact OD1-NH1 3.02Å; N305-R791 VanDerWaalsContact OD1-NH1 3.09Å; N306-R791 PolarHBondContact O-NH1 2.93Å; R788-R791 PolarHBondContact O-NE 3.43Å; R788-R791 PolarHBondContact O-NH2 2.94Å; G789-R791 PolarHBondContact O-N 3.49Å; R791-V810 HydrophobicContact CB-CG2 4.39Å; R791-V810 PolarHBondContact N-O 3.36Å; R791-V810 WeakPolarHBondContact O-CG2 3.31Å; R791-V810 PolarHBondContact O-N 2.83Å |
| 792 | Y | 96.7 | Very high | 94.6 | Very high | 10 Ų | 10 | 18.7 Ų | 18.7 | 4% | 0.039 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 136.1 | 163.2 | -78.6 | -74.6 | 0 | 0 | 0 | 110.7 | R150 R223 L300 N301 S307 L808 L809 | R150-Y792 HydrophobicContact CB-CD2 4.22Å; R150-Y792 HydrophobicContact CB-CG 4.07Å; R150-Y792 HydrophobicContact CG-CD1 4.29Å; R150-Y792 HydrophobicContact CG-CD2 4.31Å; R150-Y792 HydrophobicContact CG-CG 4.1Å; R223-Y792 PolarHBondContact NH1-OH 2.87Å; R223-Y792 PolarHBondContact NH2-OH 3.28Å; L300-Y792 HydrophobicContact CB-CE2 4.1Å; L300-Y792 WeakPolarHBondContact O-CD2 3.38Å; N301-Y792 HydrophobicContact CB-CE2 4.47Å; N301-Y792 WeakPolarHBondContact OD1-CE2 3.18Å; S307-Y792 WeakPolarHBondContact CB-O 3.44Å; S307-Y792 PolarHBondContact OG-O 3.19Å; Y792-L808 CarbonylContact C-O 3.42Å; Y792-L808 WeakPolarHBondContact CA-O 3.21Å; Y792-L809 HydrophobicContact CD1-CB 4.2Å; Y792-L809 HydrophobicContact CD1-CD1 4.43Å; Y792-L809 HydrophobicContact CE1-CB 3.84Å; Y792-L809 HydrophobicContact CE1-CD1 4.21Å; Y792-L809 HydrophobicContact CE2-CD1 4.3Å |
| 793 | I | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 111.3 | 168.9 | -67.9 | 174.6 | 0 | 0 | 0 | 107.3 | I766 R779 L781 L795 S807 L808 V810 I812 | I766-I793 HydrophobicContact CD1-CD1 3.74Å; R779-I793 HydrophobicContact CB-CG2 3.5Å; R779-I793 HydrophobicContact CG-CG2 3.86Å; L781-I793 HydrophobicContact CD1-CD1 3.78Å; I793-L795 HydrophobicContact CG2-CD2 4.35Å; I793-S807 CarbonylContact O-C 3.4Å; I793-S807 VanDerWaalsContact O-CA 3.23Å; I793-S807 WeakPolarHBondContact O-CA 3.5Å; I793-S807 WeakPolarHBondContact O-CB 3.32Å; I793-L808 PolarHBondContact N-O 2.96Å; I793-L808 PolarHBondContact O-N 2.87Å; I793-V810 HydrophobicContact CD1-CG1 4.4Å; I793-V810 HydrophobicContact CD1-CG2 3.68Å; I793-V810 HydrophobicContact CG1-CG2 4.11Å; I793-I812 HydrophobicContact CD1-CD1 4.1Å |
| 794 | N | 96.5 | Very high | 94.5 | Very high | 18 Ų | 18 | 21.3 Ų | 21.3 | 10% | 0.096 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 127.8 | 167.3 | -65.4 | -42.9 | 0 | 0 | 0 | 108.3 | S148 R150 H153 | S148-N794 PolarHBondContact O-ND2 2.9Å; S148-N794 VanDerWaalsContact O-ND2 3.1Å; R150-N794 WeakPolarHBondContact CD-OD1 3.32Å; H153-N794 PolarHBondContact CE1-ND2 2.89Å; H153-N794 VanDerWaalsContact CE1-ND2 3.32Å; H153-N794 PolarHBondContact ND1-ND2 3.07Å |
| 795 | L | 97.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 158.8 | -178 | -64.8 | 179.2 | 0 | 0 | 0 | 111.4 | L708 A768 I793 L803 A806 L808 | L708-L795 HydrophobicContact CD2-CD1 3.65Å; A768-L795 HydrophobicContact CB-CD1 3.75Å; I793-L795 HydrophobicContact CG2-CD2 4.35Å; L795-L803 HydrophobicContact CB-CD1 3.95Å; L795-L803 VanDerWaalsContact O-CB 3.3Å; L795-L803 WeakPolarHBondContact O-CB 3.35Å; L795-L803 PolarHBondContact O-N 3.14Å; L795-A806 HydrophobicContact CB-CB 4.21Å; L795-A806 HydrophobicContact CD1-CB 4.34Å; L795-A806 PolarHBondContact N-O 3.25Å; L795-L808 HydrophobicContact CD1-CG 4.26Å; L795-L808 HydrophobicContact CD2-CD1 4.07Å; L795-L808 HydrophobicContact CD2-CG 4.31Å; L795-L808 HydrophobicContact CG-CG 4.43Å |
| 796 | R | 96.8 | Very high | 95 | Very high | 6 Ų | 6 | 19.3 Ų | 19.3 | 2% | 0.023 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 153.5 | -175.7 | -60 | -132.8 | -174 | 144.2 | 4.3 | 112.8 | R146 N147 E661 G777 H778 N800 Q801 | R146-R796 PolarHBondContact O-NH2 2.9Å; N147-R796 PolarHBondContact ND2-NH2 3.36Å; N147-R796 PolarHBondContact OD1-NH2 2.81Å; E661-R796 IonicContact OE1-CZ 3.66Å; E661-R796 IonicContact OE1-NH1 3.5Å; E661-R796 PolarHBondContact OE1-NH1 3.23Å; E661-R796 IonicContact OE1-NH2 2.71Å; E661-R796 PolarHBondContact OE1-NH2 2.87Å; E661-R796 IonicContact OE2-CZ 2.84Å; E661-R796 IonicContact OE2-NH1 3.73Å; E661-R796 PolarHBondContact OE2-NH1 2.62Å; E661-R796 IonicContact OE2-NH2 2.74Å; G777-R796 CarbonylContact C-O 3.6Å; G777-R796 WeakPolarHBondContact CA-O 3.38Å; H778-R796 PolarHBondContact N-O 3.34Å; H778-R796 PolarHBondContact ND1-O 2.91Å; H778-R796 WeakPolarHBondContact O-CB 3.47Å; H778-R796 PolarHBondContact O-N 2.82Å; R796-N800 WeakPolarHBondContact CD-O 3.15Å; R796-N800 WeakPolarHBondContact CD-OD1 3.42Å; R796-N800 PolarHBondContact NH1-ND2 3.13Å; R796-N800 PolarHBondContact NH1-O 3.29Å; R796-N800 PolarHBondContact NH1-OD1 2.9Å; R796-Q801 CarbonylContact C-O 3.58Å; R796-Q801 WeakPolarHBondContact CA-O 3.45Å; R796-Q801 VanDerWaalsContact CB-O 3.24Å; R796-Q801 WeakPolarHBondContact CB-O 3.47Å |
| 797 | T | 96 | Very high | 95.2 | Very high | 24 Ų | 24 | 19.1 Ų | 19.1 | 15% | 0.147 | 9% | 0.091 | C | C | . | . | trans | -60.3 | 171.5 | 173.3 | 65.5 | 0 | 0 | 0 | 0 | 111.8 | H778 F799 N800 Q801 L803 | H778-T797 PolarHBondContact CE1-O 3.06Å; H778-T797 PolarHBondContact ND1-O 2.85Å; T797-F799 PolarHBondContact O-N 2.93Å; T797-F799 PolarHBondContact OG1-N 3.5Å; T797-N800 PolarHBondContact O-N 2.98Å; T797-Q801 HydrophobicContact CG2-CB 4.37Å; T797-Q801 PolarHBondContact N-O 3.45Å; T797-Q801 WeakPolarHBondContact OG1-CB 3.44Å; T797-Q801 PolarHBondContact OG1-N 3.13Å; T797-Q801 VanDerWaalsContact OG1-N 3.15Å; T797-L803 HydrophobicContact CG2-CD2 3.7Å; T797-L803 HydrophobicContact CG2-CG 4.43Å | ||
| 798 | E | 94.9 | Very high | 95.5 | Very high | 74 Ų | 74 | 16.6 Ų | 16.6 | 35% | 0.346 | 8% | 0.08 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -29.5 | 171.3 | -60.4 | 89.2 | 145.9 | 0 | 0 | 112.1 | L649 Q654 F775 N800 | L649-E798 HydrophobicContact CB-CB 3.84Å; L649-E798 HydrophobicContact CD1-CB 4.09Å; Q654-E798 HydrophobicContact CG-CB 4.36Å; F775-E798 HydrophobicContact CD1-CG 3.7Å; F775-E798 VanDerWaalsContact CD1-OE1 3.3Å; F775-E798 WeakPolarHBondContact CD1-OE1 3.5Å; F775-E798 VanDerWaalsContact CE1-CD 3.47Å; F775-E798 HydrophobicContact CE1-CG 3.56Å; F775-E798 HydrophobicContact CZ-CG 4.32Å; E798-N800 VanDerWaalsContact C-N 3.29Å; E798-N800 PolarHBondContact O-N 3.21Å |
| 799 | F | 93.9 | Very high | 95.8 | Very high | 19 Ų | 19 | 14.2 Ų | 14.2 | 8% | 0.083 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 14.7 | 174.9 | -170.8 | -143.3 | 0 | 0 | 0 | 113.7 | M113 T356 L649 M657 T797 Q801 | M113-F799 HydrophobicContact CB-CE2 4.26Å; M113-F799 HydrophobicContact CB-CZ 4.07Å; M113-F799 HydrophobicContact CE-CD2 4.03Å; M113-F799 HydrophobicContact CE-CE2 3.74Å; T356-F799 HydrophobicContact CG2-CE2 3.58Å; T356-F799 HydrophobicContact CG2-CZ 3.82Å; L649-F799 HydrophobicContact CD1-CB 3.9Å; L649-F799 HydrophobicContact CD2-CD2 4.29Å; M657-F799 HydrophobicContact SD-CE2 4.4Å; T797-F799 PolarHBondContact O-N 2.93Å; T797-F799 PolarHBondContact OG1-N 3.5Å; F799-Q801 HydrophobicContact CD1-CG 3.91Å; F799-Q801 PolarHBondContact O-N 3.23Å; F799-Q801 VanDerWaalsContact O-N 3.1Å |
| 800 | N | 95.7 | Very high | 95.9 | Very high | 5 Ų | 5 | 14.2 Ų | 14.2 | 3% | 0.027 | 7% | 0.071 | C | C | . | . | S | Bend | trans | 55.2 | 25.5 | -177.8 | -161.5 | 30.8 | 0 | 0 | 0 | 114.1 | M657 E661 R779 R796 T797 E798 | M657-N800 HydrophobicContact CB-CB 4.06Å; M657-N800 PolarHBondContact O-ND2 3.37Å; E661-N800 PolarHBondContact OE2-ND2 3.47Å; R779-N800 PolarHBondContact NH1-OD1 3.43Å; R779-N800 VanDerWaalsContact NH1-OD1 3.08Å; R796-N800 WeakPolarHBondContact CD-O 3.15Å; R796-N800 WeakPolarHBondContact CD-OD1 3.42Å; R796-N800 PolarHBondContact NH1-ND2 3.13Å; R796-N800 PolarHBondContact NH1-O 3.29Å; R796-N800 PolarHBondContact NH1-OD1 2.9Å; T797-N800 PolarHBondContact O-N 2.98Å; E798-N800 VanDerWaalsContact C-N 3.29Å; E798-N800 PolarHBondContact O-N 3.21Å |
| 801 | Q | 93.6 | Very high | 95.9 | Very high | 14 Ų | 14 | 14.8 Ų | 14.8 | 7% | 0.065 | 7% | 0.073 | C | C | . | . | P | Polyproline II helix | trans | -82.5 | 142 | 167.8 | -68.5 | 178.4 | -15.6 | 0 | 0 | 110.4 | W70 G110 R796 T797 F799 | W70-Q801 PolarHBondContact O-NE2 3.43Å; G110-Q801 PolarHBondContact O-NE2 3.24Å; R796-Q801 CarbonylContact C-O 3.58Å; R796-Q801 WeakPolarHBondContact CA-O 3.45Å; R796-Q801 VanDerWaalsContact CB-O 3.24Å; R796-Q801 WeakPolarHBondContact CB-O 3.47Å; T797-Q801 HydrophobicContact CG2-CB 4.37Å; T797-Q801 PolarHBondContact N-O 3.45Å; T797-Q801 WeakPolarHBondContact OG1-CB 3.44Å; T797-Q801 PolarHBondContact OG1-N 3.13Å; T797-Q801 VanDerWaalsContact OG1-N 3.15Å; F799-Q801 HydrophobicContact CD1-CG 3.91Å; F799-Q801 PolarHBondContact O-N 3.23Å; F799-Q801 VanDerWaalsContact O-N 3.1Å |
| 802 | P | 94.7 | Very high | 95.9 | Very high | 11 Ų | 11 | 14.2 Ų | 14.2 | 7% | 0.071 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 137 | -175.1 | -11.6 | 26.6 | 0 | 0 | 0 | 113 | W70 R146 | W70-P802 HydrophobicContact CD2-CB 4.23Å; W70-P802 HydrophobicContact CD2-CG 3.92Å; W70-P802 HydrophobicContact CE3-CB 3.75Å; W70-P802 HydrophobicContact CE3-CG 3.95Å; W70-P802 HydrophobicContact CG-CG 4.37Å; W70-P802 HydrophobicContact CH2-CB 4.2Å; W70-P802 HydrophobicContact CZ3-CB 3.74Å; W70-P802 HydrophobicContact CZ3-CG 4.34Å; R146-P802 HydrophobicContact CB-CG 4.28Å; R146-P802 WeakPolarHBondContact O-CG 3.33Å |
| 803 | L | 95.1 | Very high | 95.8 | Very high | 40 Ų | 40 | 14.7 Ų | 14.7 | 21% | 0.209 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 136.1 | 175 | -65.9 | 169.9 | 0 | 0 | 0 | 110.7 | H153 I776 L795 T797 M805 A806 | H153-L803 PolarHBondContact CD2-O 2.89Å; I776-L803 WeakPolarHBondContact O-CD1 3.32Å; L795-L803 HydrophobicContact CB-CD1 3.95Å; L795-L803 VanDerWaalsContact O-CB 3.3Å; L795-L803 WeakPolarHBondContact O-CB 3.35Å; L795-L803 PolarHBondContact O-N 3.14Å; T797-L803 HydrophobicContact CG2-CD2 3.7Å; T797-L803 HydrophobicContact CG2-CG 4.43Å; L803-M805 PolarHBondContact O-N 3.31Å; L803-A806 HydrophobicContact CB-CB 3.99Å; L803-A806 HydrophobicContact CD1-CB 3.95Å |
| 804 | L | 93.8 | Very high | 95.6 | Very high | 33 Ų | 33 | 14.8 Ų | 14.8 | 17% | 0.173 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.9 | -43.6 | -170.3 | -178 | 63.8 | 0 | 0 | 0 | 114.8 | K156 A157 K160 L179 | K156-L804 HydrophobicContact CB-CD1 4.07Å; K156-L804 HydrophobicContact CD-CD1 4.05Å; K156-L804 HydrophobicContact CG-CD1 3.64Å; A157-L804 HydrophobicContact CB-CD1 4.49Å; A157-L804 HydrophobicContact CB-CG 4.41Å; K160-L804 HydrophobicContact CD-CD2 3.8Å; L179-L804 HydrophobicContact CD2-CD2 4.21Å |
| 805 | M | 92.9 | Very high | 95.4 | Very high | 13 Ų | 13 | 17.7 Ų | 17.7 | 6% | 0.064 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | -4.1 | -176.1 | -62.3 | -158 | -57.6 | 0 | 0 | 115.3 | R150 A157 L179 F180 Q706 F707 L803 S807 | R150-M805 VanDerWaalsContact CZ-O 3.23Å; R150-M805 VanDerWaalsContact NH1-C 3.29Å; R150-M805 PolarHBondContact NH1-O 2.93Å; R150-M805 PolarHBondContact NH2-O 2.6Å; A157-M805 HydrophobicContact CB-CG 3.89Å; A157-M805 HydrophobicContact CB-SD 3.61Å; L179-M805 HydrophobicContact CB-CE 3.98Å; L179-M805 HydrophobicContact CD2-CE 4.33Å; L179-M805 WeakPolarHBondContact O-CE 3.31Å; F180-M805 HydrophobicContact CD1-CE 3.97Å; F180-M805 HydrophobicContact CE1-CE 3.59Å; F180-M805 HydrophobicContact CE1-SD 4.15Å; F180-M805 HydrophobicContact CZ-CE 4.17Å; Q706-M805 VanDerWaalsContact O-O 3.13Å; F707-M805 HydrophobicContact CB-CB 3.78Å; F707-M805 HydrophobicContact CB-CE 4.17Å; F707-M805 HydrophobicContact CD2-CB 4.07Å; F707-M805 HydrophobicContact CD2-CE 4.33Å; F707-M805 HydrophobicContact CD2-SD 4.16Å; F707-M805 HydrophobicContact CG-CB 4.34Å; F707-M805 HydrophobicContact CG-CE 4.2Å; L803-M805 PolarHBondContact O-N 3.31Å; M805-S807 PolarHBondContact O-N 2.95Å |
| 806 | A | 96.6 | Very high | 95.2 | Very high | 6 Ų | 6 | 21 Ų | 21 | 5% | 0.05 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 115.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | F707 L708 L795 L803 | F707-A806 WeakPolarHBondContact O-CA 3.46Å; L708-A806 HydrophobicContact CD2-CB 4.23Å; L795-A806 HydrophobicContact CB-CB 4.21Å; L795-A806 HydrophobicContact CD1-CB 4.34Å; L795-A806 PolarHBondContact N-O 3.25Å; L803-A806 HydrophobicContact CB-CB 3.99Å; L803-A806 HydrophobicContact CD1-CB 3.95Å |
| 807 | S | 97.2 | Very high | 95 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 159.3 | 175.1 | 64.2 | 0 | 0 | 0 | 0 | 113.3 | R150 G705 Q706 L708 I793 M805 | R150-S807 PolarHBondContact NE-OG 2.97Å; R150-S807 PolarHBondContact NH1-OG 3.32Å; R150-S807 PolarHBondContact NH2-OG 3.22Å; G705-S807 CarbonylContact C-O 3.49Å; G705-S807 WeakPolarHBondContact CA-O 3.45Å; Q706-S807 PolarHBondContact N-O 3.06Å; Q706-S807 PolarHBondContact O-N 2.89Å; Q706-S807 VanDerWaalsContact O-N 3.07Å; Q706-S807 PolarHBondContact OE1-O 3.38Å; Q706-S807 PolarHBondContact OE1-OG 3.19Å; L708-S807 WeakPolarHBondContact CD2-O 3.38Å; I793-S807 CarbonylContact O-C 3.4Å; I793-S807 VanDerWaalsContact O-CA 3.23Å; I793-S807 WeakPolarHBondContact O-CA 3.5Å; I793-S807 WeakPolarHBondContact O-CB 3.32Å; M805-S807 PolarHBondContact O-N 2.95Å |
| 808 | L | 97.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 139.6 | 167.7 | -59.7 | 175.5 | 0 | 0 | 0 | 109.9 | S704 L708 V717 W746 I766 Y792 I793 L795 V810 | S704-L808 CarbonylContact O-C 3.37Å; S704-L808 WeakPolarHBondContact O-CA 3.4Å; L708-L808 HydrophobicContact CD1-CD2 4.25Å; L708-L808 HydrophobicContact CD2-CD2 4.05Å; V717-L808 HydrophobicContact CG1-CD1 3.82Å; V717-L808 HydrophobicContact CG2-CD1 3.84Å; V717-L808 HydrophobicContact CG2-CD2 3.76Å; V717-L808 HydrophobicContact CG2-CG 4.49Å; W746-L808 HydrophobicContact CH2-CD2 4.28Å; W746-L808 HydrophobicContact CZ3-CD2 3.99Å; I766-L808 HydrophobicContact CG2-CD1 3.59Å; Y792-L808 CarbonylContact C-O 3.42Å; Y792-L808 WeakPolarHBondContact CA-O 3.21Å; I793-L808 PolarHBondContact N-O 2.96Å; I793-L808 PolarHBondContact O-N 2.87Å; L795-L808 HydrophobicContact CD1-CG 4.26Å; L795-L808 HydrophobicContact CD2-CD1 4.07Å; L795-L808 HydrophobicContact CD2-CG 4.31Å; L795-L808 HydrophobicContact CG-CG 4.43Å; L808-V810 HydrophobicContact CB-CG1 4.17Å |
| 809 | L | 97.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 126.2 | 161.7 | 178.6 | 63 | 0 | 0 | 0 | 108.2 | E225 L226 I229 I703 S704 Y792 | E225-L809 HydrophobicContact CG-CD2 3.82Å; L226-L809 HydrophobicContact CD2-CD2 3.73Å; I229-L809 HydrophobicContact CD1-CD2 4.17Å; I703-L809 HydrophobicContact CB-CG 4.42Å; I703-L809 WeakPolarHBondContact CB-O 3.4Å; I703-L809 HydrophobicContact CD1-CG 4.39Å; I703-L809 PolarHBondContact N-O 3.5Å; S704-L809 PolarHBondContact N-O 3.02Å; S704-L809 PolarHBondContact O-N 3.12Å; S704-L809 WeakPolarHBondContact OG-CB 2.94Å; Y792-L809 HydrophobicContact CD1-CB 4.2Å; Y792-L809 HydrophobicContact CD1-CD1 4.43Å; Y792-L809 HydrophobicContact CE1-CB 3.84Å; Y792-L809 HydrophobicContact CE1-CD1 4.21Å; Y792-L809 HydrophobicContact CE2-CD1 4.3Å |
| 810 | V | 97.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 153.8 | -178.1 | -59.2 | 0 | 0 | 0 | 0 | 110.6 | R701 I702 Y790 R791 I793 L808 I812 | R701-V810 CarbonylContact O-C 3.6Å; R701-V810 VanDerWaalsContact O-CA 3.26Å; R701-V810 WeakPolarHBondContact O-CA 3.43Å; R701-V810 WeakPolarHBondContact O-CB 3.45Å; I702-V810 HydrophobicContact CD1-CG1 3.58Å; Y790-V810 WeakPolarHBondContact CA-O 3.34Å; R791-V810 HydrophobicContact CB-CG2 4.39Å; R791-V810 PolarHBondContact N-O 3.36Å; R791-V810 WeakPolarHBondContact O-CG2 3.31Å; R791-V810 PolarHBondContact O-N 2.83Å; I793-V810 HydrophobicContact CD1-CG1 4.4Å; I793-V810 HydrophobicContact CD1-CG2 3.68Å; I793-V810 HydrophobicContact CG1-CG2 4.11Å; L808-V810 HydrophobicContact CB-CG1 4.17Å; V810-I812 HydrophobicContact CB-CG1 4.43Å; V810-I812 HydrophobicContact CG2-CD1 3.79Å; V810-I812 HydrophobicContact CG2-CG1 3.84Å |
| 811 | Y | 96.7 | Very high | 93.2 | Very high | 22 Ų | 22 | 33 Ų | 33 | 9% | 0.086 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 128.4 | 156.7 | 177.1 | -90.8 | 0 | 0 | 0 | 107.9 | R701 G789 Y790 E813 | R701-Y811 PolarHBondContact N-O 3.22Å; R701-Y811 PolarHBondContact O-N 3.35Å; G789-Y811 WeakPolarHBondContact O-CA 3.46Å; Y790-Y811 HydrophobicContact CD1-CD2 4.06Å; Y790-Y811 HydrophobicContact CD2-CD2 4.1Å; Y790-Y811 AromaticContact CE1-CD2 3.94Å; Y790-Y811 HydrophobicContact CE1-CD2 3.94Å; Y790-Y811 HydrophobicContact CE1-CG 4.3Å; Y790-Y811 HydrophobicContact CE2-CD2 4.02Å; Y790-Y811 HydrophobicContact CE2-CE2 4.47Å; Y790-Y811 HydrophobicContact CG-CD2 4.15Å; Y790-Y811 AromaticContact CZ-CD2 3.94Å; Y811-E813 HydrophobicContact CE1-CB 3.83Å; Y811-E813 PolarHBondContact OH-OE1 3.32Å |
| 812 | I | 95.4 | Very high | 92.9 | Very high | 3 Ų | 3 | 36.5 Ų | 36.5 | 2% | 0.015 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 138.2 | 175.6 | -68.4 | 176.9 | 0 | 0 | 0 | 108.5 | T699 V700 L781 L786 R788 G789 I793 V810 | T699-I812 WeakPolarHBondContact O-CA 3.32Å; V700-I812 HydrophobicContact CG1-CG1 4.42Å; L781-I812 HydrophobicContact CD1-CD1 4.47Å; L786-I812 HydrophobicContact CB-CG2 4.2Å; L786-I812 HydrophobicContact CD1-CG2 4.25Å; L786-I812 HydrophobicContact CD2-CD1 4.32Å; L786-I812 HydrophobicContact CD2-CG2 4.34Å; R788-I812 CarbonylContact C-O 3.49Å; R788-I812 VanDerWaalsContact CA-O 3.25Å; R788-I812 WeakPolarHBondContact CA-O 3.44Å; G789-I812 PolarHBondContact N-O 2.76Å; G789-I812 PolarHBondContact O-N 3.07Å; I793-I812 HydrophobicContact CD1-CD1 4.1Å; V810-I812 HydrophobicContact CB-CG1 4.43Å; V810-I812 HydrophobicContact CG2-CD1 3.79Å; V810-I812 HydrophobicContact CG2-CG1 3.84Å |
| 813 | E | 93.9 | Very high | 92.3 | Very high | 21 Ų | 21 | 39.8 Ų | 39.8 | 10% | 0.098 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 126.7 | 166.6 | 173.5 | 173.2 | -80.9 | 0 | 0 | 109 | V698 T699 R788 Y811 K815 | V698-E813 CarbonylContact C-O 3.52Å; V698-E813 WeakPolarHBondContact CA-O 3.32Å; T699-E813 PolarHBondContact N-O 3.04Å; T699-E813 PolarHBondContact O-N 2.92Å; R788-E813 HydrophobicContact CG-CB 4.2Å; R788-E813 HydrophobicContact CG-CG 4.31Å; R788-E813 IonicContact CZ-OE1 2.67Å; R788-E813 IonicContact NE-OE1 3.28Å; R788-E813 PolarHBondContact NE-OE1 3.1Å; R788-E813 IonicContact NH2-OE1 3.37Å; R788-E813 PolarHBondContact NH2-OE1 3.39Å; Y811-E813 HydrophobicContact CE1-CB 3.83Å; Y811-E813 PolarHBondContact OH-OE1 3.32Å; E813-K815 HydrophobicContact CG-CD 4.45Å; E813-K815 WeakPolarHBondContact OE2-CD 3.44Å; E813-K815 WeakPolarHBondContact OE2-CE 3.28Å; E813-K815 IonicContact OE2-NZ 2.65Å; E813-K815 PolarHBondContact OE2-NZ 2.78Å |
| 814 | A | 92.9 | Very high | 91.8 | Very high | 1 Ų | 1 | 45.5 Ų | 45.5 | 1% | 0.008 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 125.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 106.6 | T697 V698 L786 | T697-A814 WeakPolarHBondContact O-CA 3.5Å; V698-A814 HydrophobicContact CG2-CB 4.4Å; L786-A814 HydrophobicContact CB-CB 4.21Å; L786-A814 HydrophobicContact CD1-CB 4.44Å |
| 815 | K | 92.9 | Very high | 91.4 | Very high | 80 Ų | 80 | 51.6 Ų | 51.6 | 35% | 0.348 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 162.2 | -178.1 | 65.5 | -176.6 | 173.8 | -153.9 | 0 | 109.9 | N696 T697 E813 | N696-K815 CarbonylContact C-O 3.48Å; N696-K815 WeakPolarHBondContact CA-O 3.39Å; N696-K815 WeakPolarHBondContact CB-O 3.41Å; T697-K815 PolarHBondContact N-O 2.83Å; T697-K815 PolarHBondContact O-N 2.83Å; E813-K815 HydrophobicContact CG-CD 4.45Å; E813-K815 WeakPolarHBondContact OE2-CD 3.44Å; E813-K815 WeakPolarHBondContact OE2-CE 3.28Å; E813-K815 IonicContact OE2-NZ 2.65Å; E813-K815 PolarHBondContact OE2-NZ 2.78Å |
| 816 | D | 92.9 | Very high | 91 | Very high | 68 Ų | 68 | 54.3 Ų | 54.3 | 36% | 0.364 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 141 | 179.1 | -54.5 | -49.9 | 0 | 0 | 0 | 111 | V694 N696 V818 | V694-D816 HydrophobicContact CG1-CB 3.82Å; V694-D816 VanDerWaalsContact CG1-OD1 3.23Å; V694-D816 WeakPolarHBondContact CG1-OD1 3.24Å; N696-D816 PolarHBondContact ND2-OD1 2.97Å; D816-V818 PolarHBondContact O-N 3.18Å |
| 817 | F | 92.3 | Very high | 90.3 | Very high | 32 Ų | 32 | 60.3 Ų | 60.3 | 14% | 0.14 | 29% | 0.288 | C | S | . | . | trans | -78.8 | 120.5 | -174.4 | 167.9 | -108.3 | 0 | 0 | 0 | 110.3 | I689 A695 Y754 K755 P819 | I689-F817 HydrophobicContact CG2-CD1 3.84Å; I689-F817 HydrophobicContact CG2-CE1 3.92Å; A695-F817 HydrophobicContact CB-CB 3.92Å; A695-F817 HydrophobicContact CB-CD1 4.15Å; A695-F817 HydrophobicContact CB-CG 4.4Å; A695-F817 WeakPolarHBondContact O-CB 3.48Å; A695-F817 PolarHBondContact O-N 3.33Å; Y754-F817 HydrophobicContact CD1-CE2 4.06Å; Y754-F817 AromaticContact CE1-CE2 3.62Å; Y754-F817 HydrophobicContact CE1-CE2 3.62Å; Y754-F817 HydrophobicContact CE1-CZ 4.31Å; Y754-F817 AromaticContact CZ-CE2 3.95Å; Y754-F817 WeakPolarHBondContact O-CD2 3.47Å; K755-F817 HydrophobicContact CB-CD2 4.46Å; K755-F817 HydrophobicContact CB-CE2 4.31Å; K755-F817 HydrophobicContact CD-CE1 4.44Å; K755-F817 HydrophobicContact CD-CZ 4.4Å; K755-F817 HydrophobicContact CG-CD1 4.35Å; K755-F817 HydrophobicContact CG-CE1 4.16Å; K755-F817 HydrophobicContact CG-CE2 4.41Å; K755-F817 HydrophobicContact CG-CZ 4.2Å; F817-P819 HydrophobicContact CE1-CG 3.89Å; F817-P819 HydrophobicContact CZ-CG 4.24Å | ||
| 818 | V | 87.4 | Confident | 89.8 | Confident | 34 Ų | 34 | 61.2 Ų | 61.2 | 21% | 0.206 | 30% | 0.295 | C | S | . | . | trans | -110.3 | 120 | 174.6 | 178.7 | 0 | 0 | 0 | 0 | 109.3 | D816 L823 I826 | D816-V818 PolarHBondContact O-N 3.18Å; V818-L823 HydrophobicContact CB-CD2 4.21Å; V818-L823 HydrophobicContact CG1-CD2 3.64Å; V818-L823 HydrophobicContact CG1-CG 4.06Å; V818-I826 HydrophobicContact CB-CD1 4.32Å; V818-I826 HydrophobicContact CG1-CD1 3.8Å; V818-I826 HydrophobicContact CG2-CD1 3.72Å; V818-I826 HydrophobicContact CG2-CG2 4.45Å | ||
| 819 | P | 86.9 | Confident | 89.4 | Confident | 31 Ų | 31 | 67.9 Ų | 67.9 | 20% | 0.201 | 33% | 0.33 | C | S | . | . | trans | -59.8 | 135.5 | 167.2 | -21 | 32.5 | 0 | 0 | 0 | 110.4 | F817 Q821 H822 | F817-P819 HydrophobicContact CE1-CG 3.89Å; F817-P819 HydrophobicContact CZ-CG 4.24Å; P819-Q821 PolarHBondContact O-N 3.34Å; P819-H822 PolarHBondContact O-N 3.38Å | ||
| 820 | N | 84 | Confident | 88.8 | Confident | 113 Ų | 113 | 73.2 Ų | 73.2 | 60% | 0.604 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -53.5 | -32.3 | -177.8 | -68.3 | -14.2 | 0 | 0 | 0 | 113.5 | Y754 H822 L823 | Y754-N820 PolarHBondContact OH-ND2 2.83Å; Y754-N820 PolarHBondContact OH-OD1 2.83Å; N820-H822 PolarHBondContact O-N 2.88Å; N820-L823 HydrophobicContact CB-CD1 4.36Å |
| 821 | Q | 84.2 | Confident | 88.3 | Confident | 170 Ų | 170 | 76.8 Ų | 76.8 | 79% | 0.794 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -64.9 | -16.5 | 177.1 | -66.4 | 170.7 | -12.4 | 0 | 0 | 113.9 | P819 | P819-Q821 PolarHBondContact O-N 3.34Š|
| 822 | H | 87.3 | Confident | 87.8 | Confident | 89 Ų | 89 | 78.9 Ų | 78.9 | 41% | 0.412 | 40% | 0.398 | S | S | . | . | G | 310 helix | trans | -114.5 | 6.4 | -174.4 | -58.7 | 164.5 | 0 | 0 | 0 | 114 | P819 N820 E824 Y825 I826 | P819-H822 PolarHBondContact O-N 3.38Å; N820-H822 PolarHBondContact O-N 2.88Å; H822-E824 PolarHBondContact O-N 2.93Å; H822-Y825 PolarHBondContact O-N 3.36Å; H822-I826 PolarHBondContact O-N 2.88Å; H822-I826 VanDerWaalsContact O-N 3.11Å |
| 823 | L | 83.6 | Confident | 87.4 | Confident | 79 Ų | 79 | 85.3 Ų | 85.3 | 41% | 0.414 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -57.8 | -48.6 | -177.3 | -73.9 | 165.5 | 0 | 0 | 0 | 112.2 | V818 N820 Y825 I826 E827 | V818-L823 HydrophobicContact CB-CD2 4.21Å; V818-L823 HydrophobicContact CG1-CD2 3.64Å; V818-L823 HydrophobicContact CG1-CG 4.06Å; N820-L823 HydrophobicContact CB-CD1 4.36Å; L823-Y825 PolarHBondContact O-N 2.73Å; L823-I826 PolarHBondContact O-N 2.94Å; L823-I826 VanDerWaalsContact O-N 3.14Å; L823-E827 PolarHBondContact O-N 3.38Å |
| 824 | E | 83 | Confident | 87 | Confident | 161 Ų | 161 | 89.1 Ų | 89.1 | 75% | 0.752 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -59.9 | -43.4 | -179.9 | -61.7 | -177.1 | 171.1 | 0 | 0 | 112.2 | H822 I826 E827 A828 | H822-E824 PolarHBondContact O-N 2.93Å; E824-I826 VanDerWaalsContact C-N 3.33Å; E824-I826 PolarHBondContact O-N 2.87Å; E824-E827 PolarHBondContact O-N 2.92Å; E824-A828 WeakPolarHBondContact O-CB 3.47Å; E824-A828 PolarHBondContact O-N 3.31Å |
| 825 | Y | 86.8 | Confident | 86.6 | Confident | 161 Ų | 161 | 92.8 Ų | 92.8 | 63% | 0.631 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -63.2 | -37 | 176.5 | -61 | -59.4 | 0 | 0 | 0 | 112.4 | H822 L823 A828 L829 | H822-Y825 PolarHBondContact O-N 3.36Å; L823-Y825 PolarHBondContact O-N 2.73Å; Y825-A828 PolarHBondContact O-N 3.44Å; Y825-L829 WeakPolarHBondContact O-CB 3.29Å; Y825-L829 VanDerWaalsContact O-CG 3.24Å; Y825-L829 WeakPolarHBondContact O-CG 3.42Å; Y825-L829 PolarHBondContact O-N 2.91Å |
| 826 | I | 83.8 | Confident | 86.3 | Confident | 69 Ų | 69 | 93.3 Ų | 93.3 | 35% | 0.354 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -78 | -33.4 | 179.8 | -68.6 | -175.1 | 0 | 0 | 0 | 111.7 | V818 H822 L823 E824 A828 L829 T830 | V818-I826 HydrophobicContact CB-CD1 4.32Å; V818-I826 HydrophobicContact CG1-CD1 3.8Å; V818-I826 HydrophobicContact CG2-CD1 3.72Å; V818-I826 HydrophobicContact CG2-CG2 4.45Å; H822-I826 PolarHBondContact O-N 2.88Å; H822-I826 VanDerWaalsContact O-N 3.11Å; L823-I826 PolarHBondContact O-N 2.94Å; L823-I826 VanDerWaalsContact O-N 3.14Å; E824-I826 VanDerWaalsContact C-N 3.33Å; E824-I826 PolarHBondContact O-N 2.87Å; I826-A828 VanDerWaalsContact C-N 3.34Å; I826-L829 PolarHBondContact O-N 2.75Å; I826-T830 VanDerWaalsContact O-CB 3.23Å; I826-T830 WeakPolarHBondContact O-CB 3.12Å; I826-T830 PolarHBondContact O-N 3.3Å; I826-T830 PolarHBondContact O-OG1 3.07Å |
| 827 | E | 82.4 | Confident | 86 | Confident | 133 Ų | 133 | 93.4 Ų | 93.4 | 62% | 0.621 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.8 | -42.4 | 168.3 | -72.8 | -164.4 | -162.7 | 0 | 0 | 111.4 | L823 E824 T830 N831 | L823-E827 PolarHBondContact O-N 3.38Å; E824-E827 PolarHBondContact O-N 2.92Å; E827-T830 PolarHBondContact O-N 3.15Å; E827-N831 PolarHBondContact O-N 2.76Å |
| 828 | A | 86.9 | Confident | 85.7 | Confident | 18 Ų | 18 | 97.3 Ų | 97.3 | 15% | 0.149 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -64 | -40 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | E824 Y825 I826 N831 P832 H835 | E824-A828 WeakPolarHBondContact O-CB 3.47Å; E824-A828 PolarHBondContact O-N 3.31Å; Y825-A828 PolarHBondContact O-N 3.44Å; I826-A828 VanDerWaalsContact C-N 3.34Å; A828-N831 CarbonylContact O-C 3.56Å; A828-P832 WeakPolarHBondContact O-CA 3.37Å; A828-P832 WeakPolarHBondContact O-CB 3.39Å; A828-P832 WeakPolarHBondContact O-CD 3.36Å; A828-H835 HydrophobicContact CB-CB 4.06Å |
| 829 | L | 88.2 | Confident | 85.5 | Confident | 140 Ų | 140 | 100.1 Ų | 100.1 | 73% | 0.733 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -71.1 | -31.9 | 175.6 | -74.4 | 167.9 | 0 | 0 | 0 | 112.8 | Y825 I826 | Y825-L829 WeakPolarHBondContact O-CB 3.29Å; Y825-L829 VanDerWaalsContact O-CG 3.24Å; Y825-L829 WeakPolarHBondContact O-CG 3.42Å; Y825-L829 PolarHBondContact O-N 2.91Å; I826-L829 PolarHBondContact O-N 2.75Å |
| 830 | T | 85.3 | Confident | 85.6 | Confident | 112 Ų | 112 | 102.7 Ų | 102.7 | 69% | 0.687 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -75.3 | -34 | 179.4 | -57.3 | 0 | 0 | 0 | 0 | 111.9 | I826 E827 | I826-T830 VanDerWaalsContact O-CB 3.23Å; I826-T830 WeakPolarHBondContact O-CB 3.12Å; I826-T830 PolarHBondContact O-N 3.3Å; I826-T830 PolarHBondContact O-OG1 3.07Å; E827-T830 PolarHBondContact O-N 3.15Å |
| 831 | N | 86.7 | Confident | 85.6 | Confident | 76 Ų | 76 | 99.3 Ų | 99.3 | 41% | 0.406 | 51% | 0.505 | S | S | . | . | trans | -141.6 | 76 | 174.5 | -165.5 | -25.4 | 0 | 0 | 0 | 111.9 | E827 A828 I833 K834 H835 | E827-N831 PolarHBondContact O-N 2.76Å; A828-N831 CarbonylContact O-C 3.56Å; N831-I833 VanDerWaalsContact C-N 3.27Å; N831-I833 PolarHBondContact O-N 3.4Å; N831-K834 HydrophobicContact CB-CB 4.14Å; N831-K834 VanDerWaalsContact CG-CB 3.44Å; N831-K834 PolarHBondContact O-N 2.89Å; N831-K834 VanDerWaalsContact OD1-CB 3.27Å; N831-K834 WeakPolarHBondContact OD1-CB 3.42Å; N831-K834 PolarHBondContact OD1-N 3.01Å; N831-H835 PolarHBondContact O-N 2.88Å; N831-H835 VanDerWaalsContact O-N 3.12Å | ||
| 832 | P | 86.5 | Confident | 85.6 | Confident | 65 Ų | 65 | 99.5 Ų | 99.5 | 42% | 0.422 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.8 | -30.3 | -176.2 | 24.3 | -33.8 | 0 | 0 | 0 | 112.6 | A828 H835 I836 | A828-P832 WeakPolarHBondContact O-CA 3.37Å; A828-P832 WeakPolarHBondContact O-CB 3.39Å; A828-P832 WeakPolarHBondContact O-CD 3.36Å; P832-H835 PolarHBondContact O-N 2.75Å; P832-I836 WeakPolarHBondContact O-CB 3.18Å; P832-I836 WeakPolarHBondContact O-CD1 3.48Å; P832-I836 VanDerWaalsContact O-CG1 3.24Å; P832-I836 WeakPolarHBondContact O-CG1 3.48Å; P832-I836 PolarHBondContact O-N 2.85Å |
| 833 | I | 86.8 | Confident | 85.5 | Confident | 138 Ų | 138 | 101.4 Ų | 101.4 | 71% | 0.708 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -63.7 | -46.8 | 177.7 | -58.7 | 175.1 | 0 | 0 | 0 | 110.3 | N831 S837 | N831-I833 VanDerWaalsContact C-N 3.27Å; N831-I833 PolarHBondContact O-N 3.4Å; I833-S837 VanDerWaalsContact O-CB 3.22Å; I833-S837 WeakPolarHBondContact O-CB 3.5Å; I833-S837 PolarHBondContact O-N 2.93Å |
| 834 | K | 85.7 | Confident | 85.5 | Confident | 102 Ų | 102 | 103.7 Ų | 103.7 | 44% | 0.443 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.9 | -45.7 | 175.1 | -179.9 | -168.9 | 169.4 | -158.2 | 0 | 111.2 | N831 S837 Q838 | N831-K834 HydrophobicContact CB-CB 4.14Å; N831-K834 VanDerWaalsContact CG-CB 3.44Å; N831-K834 PolarHBondContact O-N 2.89Å; N831-K834 VanDerWaalsContact OD1-CB 3.27Å; N831-K834 WeakPolarHBondContact OD1-CB 3.42Å; N831-K834 PolarHBondContact OD1-N 3.01Å; K834-S837 PolarHBondContact O-N 2.84Å; K834-Q838 WeakPolarHBondContact O-CB 3.43Å; K834-Q838 WeakPolarHBondContact O-CG 3.06Å; K834-Q838 PolarHBondContact O-N 2.87Å |
| 835 | H | 84.8 | Confident | 85.2 | Confident | 77 Ų | 77 | 101.9 Ų | 101.9 | 36% | 0.356 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63 | -48.8 | -178.5 | -177.5 | -101.8 | 0 | 0 | 0 | 112.2 | A828 N831 P832 S837 Q838 L839 | A828-H835 HydrophobicContact CB-CB 4.06Å; N831-H835 PolarHBondContact O-N 2.88Å; N831-H835 VanDerWaalsContact O-N 3.12Å; P832-H835 PolarHBondContact O-N 2.75Å; H835-S837 PolarHBondContact O-N 2.74Å; H835-Q838 PolarHBondContact O-N 2.97Å; H835-L839 PolarHBondContact O-N 2.89Å |
| 836 | I | 86.1 | Confident | 84.9 | Confident | 91 Ų | 91 | 98.6 Ų | 98.6 | 47% | 0.467 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61 | -45.1 | 175.9 | -67.1 | 164.8 | 0 | 0 | 0 | 110.5 | P832 Q838 L839 E840 | P832-I836 WeakPolarHBondContact O-CB 3.18Å; P832-I836 WeakPolarHBondContact O-CD1 3.48Å; P832-I836 VanDerWaalsContact O-CG1 3.24Å; P832-I836 WeakPolarHBondContact O-CG1 3.48Å; P832-I836 PolarHBondContact O-N 2.85Å; I836-Q838 VanDerWaalsContact C-N 3.27Å; I836-Q838 PolarHBondContact O-N 3.36Å; I836-L839 PolarHBondContact O-N 2.89Å; I836-L839 VanDerWaalsContact O-N 3.13Å; I836-E840 HydrophobicContact CG2-CG 4.49Å; I836-E840 PolarHBondContact O-N 3.43Å |
| 837 | S | 88.4 | Confident | 84.7 | Confident | 70 Ų | 70 | 98.2 Ų | 98.2 | 49% | 0.49 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.8 | -32.8 | 177.1 | 178.7 | 0 | 0 | 0 | 0 | 113.2 | I833 K834 H835 A841 | I833-S837 VanDerWaalsContact O-CB 3.22Å; I833-S837 WeakPolarHBondContact O-CB 3.5Å; I833-S837 PolarHBondContact O-N 2.93Å; K834-S837 PolarHBondContact O-N 2.84Å; H835-S837 PolarHBondContact O-N 2.74Å; S837-A841 VanDerWaalsContact O-CB 3.31Å; S837-A841 WeakPolarHBondContact O-CB 3.24Å; S837-A841 PolarHBondContact O-N 3.45Å |
| 838 | Q | 84.2 | Confident | 84.4 | Confident | 115 Ų | 115 | 98.6 Ų | 98.6 | 54% | 0.537 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -73.7 | -35.9 | 174.5 | -74.9 | 179.8 | -47.7 | 0 | 0 | 112.3 | K834 H835 I836 R842 | K834-Q838 WeakPolarHBondContact O-CB 3.43Å; K834-Q838 WeakPolarHBondContact O-CG 3.06Å; K834-Q838 PolarHBondContact O-N 2.87Å; H835-Q838 PolarHBondContact O-N 2.97Å; I836-Q838 VanDerWaalsContact C-N 3.27Å; I836-Q838 PolarHBondContact O-N 3.36Å; Q838-R842 WeakPolarHBondContact O-CB 3.47Å; Q838-R842 PolarHBondContact O-N 3.32Å |
| 839 | L | 84.6 | Confident | 83.7 | Confident | 93 Ų | 93 | 103.2 Ų | 103.2 | 49% | 0.487 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65 | -49.2 | 171.5 | -70.2 | 175.7 | 0 | 0 | 0 | 111.3 | H835 I836 A841 R842 E843 | H835-L839 PolarHBondContact O-N 2.89Å; I836-L839 PolarHBondContact O-N 2.89Å; I836-L839 VanDerWaalsContact O-N 3.13Å; L839-A841 VanDerWaalsContact C-N 3.29Å; L839-A841 PolarHBondContact O-N 2.78Å; L839-R842 CarbonylContact O-C 3.6Å; L839-R842 WeakPolarHBondContact O-CB 3.41Å; L839-R842 PolarHBondContact O-N 3.35Å; L839-R842 VanDerWaalsContact O-N 3.09Å; L839-E843 WeakPolarHBondContact O-CB 3.39Å; L839-E843 PolarHBondContact O-N 3.1Å |
| 840 | E | 88 | Confident | 82.8 | Confident | 84 Ų | 84 | 103.2 Ų | 103.2 | 39% | 0.393 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -57.2 | -40.1 | 174.7 | -78 | -173.1 | -137.7 | 0 | 0 | 112.6 | I836 R842 E843 K844 | I836-E840 HydrophobicContact CG2-CG 4.49Å; I836-E840 PolarHBondContact O-N 3.43Å; E840-R842 VanDerWaalsContact C-N 3.35Å; E840-E843 PolarHBondContact O-N 3.38Å; E840-K844 WeakPolarHBondContact O-CB 3.42Å; E840-K844 WeakPolarHBondContact O-CD 2.98Å; E840-K844 VanDerWaalsContact O-CG 3.22Å; E840-K844 WeakPolarHBondContact O-CG 3.33Å; E840-K844 PolarHBondContact O-N 2.92Å; E840-K844 IonicContact OE2-NZ 2.72Å; E840-K844 PolarHBondContact OE2-NZ 2.65Å |
| 841 | A | 84.5 | Confident | 81.5 | Confident | 43 Ų | 43 | 104.8 Ų | 104.8 | 36% | 0.355 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.3 | -39.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | S837 L839 M845 | S837-A841 VanDerWaalsContact O-CB 3.31Å; S837-A841 WeakPolarHBondContact O-CB 3.24Å; S837-A841 PolarHBondContact O-N 3.45Å; L839-A841 VanDerWaalsContact C-N 3.29Å; L839-A841 PolarHBondContact O-N 2.78Å; A841-M845 WeakPolarHBondContact O-CE 3.32Å; A841-M845 WeakPolarHBondContact O-CG 3.5Å; A841-M845 PolarHBondContact O-N 2.86Å |
| 842 | R | 84.3 | Confident | 79.8 | Confident | 174 Ų | 174 | 106.5 Ų | 106.5 | 66% | 0.657 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.3 | -41.1 | 175.4 | -170.5 | 174.7 | -174.4 | 161.2 | 1.5 | 111.9 | Q838 L839 E840 M845 L846 | Q838-R842 WeakPolarHBondContact O-CB 3.47Å; Q838-R842 PolarHBondContact O-N 3.32Å; L839-R842 CarbonylContact O-C 3.6Å; L839-R842 WeakPolarHBondContact O-CB 3.41Å; L839-R842 PolarHBondContact O-N 3.35Å; L839-R842 VanDerWaalsContact O-N 3.09Å; E840-R842 VanDerWaalsContact C-N 3.35Å; R842-M845 PolarHBondContact O-N 2.73Å; R842-L846 HydrophobicContact CG-CD1 4.2Å; R842-L846 WeakPolarHBondContact O-CB 3.4Å; R842-L846 VanDerWaalsContact O-CG 3.28Å; R842-L846 WeakPolarHBondContact O-CG 3.47Å; R842-L846 PolarHBondContact O-N 2.95Å |
| 843 | E | 85.7 | Confident | 77.8 | Confident | 129 Ų | 129 | 107.3 Ų | 107.3 | 60% | 0.603 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.3 | -49.4 | 174.1 | -173.9 | 173.1 | -150.1 | 0 | 0 | 110.7 | L839 E840 M845 L846 T847 | L839-E843 WeakPolarHBondContact O-CB 3.39Å; L839-E843 PolarHBondContact O-N 3.1Å; E840-E843 PolarHBondContact O-N 3.38Å; E843-M845 VanDerWaalsContact C-N 3.35Å; E843-M845 PolarHBondContact O-N 2.76Å; E843-L846 CarbonylContact O-C 3.53Å; E843-L846 WeakPolarHBondContact O-CB 3.39Å; E843-L846 PolarHBondContact O-N 2.71Å; E843-L846 VanDerWaalsContact O-N 3.07Å; E843-T847 PolarHBondContact O-N 2.87Å; E843-T847 PolarHBondContact O-OG1 3.36Å |
| 844 | K | 83.5 | Confident | 75.7 | Confident | 127 Ų | 127 | 110.2 Ų | 110.2 | 55% | 0.552 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61 | -38.3 | 176.1 | -70.9 | 160.1 | -168 | 159.6 | 0 | 113 | E840 T847 Y848 | E840-K844 WeakPolarHBondContact O-CB 3.42Å; E840-K844 WeakPolarHBondContact O-CD 2.98Å; E840-K844 VanDerWaalsContact O-CG 3.22Å; E840-K844 WeakPolarHBondContact O-CG 3.33Å; E840-K844 PolarHBondContact O-N 2.92Å; E840-K844 IonicContact OE2-NZ 2.72Å; E840-K844 PolarHBondContact OE2-NZ 2.65Å; K844-T847 PolarHBondContact O-N 2.87Å; K844-Y848 PolarHBondContact O-N 3Å; K844-Y848 VanDerWaalsContact O-N 3.1Å |
| 845 | M | 77.1 | Confident | 73.5 | Confident | 123 Ų | 123 | 111.7 Ų | 111.7 | 61% | 0.606 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -68.5 | -33.7 | 173.7 | -75.4 | -175.4 | -73 | 0 | 0 | 112.8 | A841 R842 E843 L849 | A841-M845 WeakPolarHBondContact O-CE 3.32Å; A841-M845 WeakPolarHBondContact O-CG 3.5Å; A841-M845 PolarHBondContact O-N 2.86Å; R842-M845 PolarHBondContact O-N 2.73Å; E843-M845 VanDerWaalsContact C-N 3.35Å; E843-M845 PolarHBondContact O-N 2.76Å; M845-L849 PolarHBondContact O-N 3.24Å |
| 846 | L | 80.4 | Confident | 71.1 | Confident | 92 Ų | 92 | 117 Ų | 117 | 48% | 0.482 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -72.2 | -39.2 | 173.1 | -72.1 | 165.6 | 0 | 0 | 0 | 111.6 | R842 E843 Y848 L849 M850 | R842-L846 HydrophobicContact CG-CD1 4.2Å; R842-L846 WeakPolarHBondContact O-CB 3.4Å; R842-L846 VanDerWaalsContact O-CG 3.28Å; R842-L846 WeakPolarHBondContact O-CG 3.47Å; R842-L846 PolarHBondContact O-N 2.95Å; E843-L846 CarbonylContact O-C 3.53Å; E843-L846 WeakPolarHBondContact O-CB 3.39Å; E843-L846 PolarHBondContact O-N 2.71Å; E843-L846 VanDerWaalsContact O-N 3.07Å; L846-Y848 VanDerWaalsContact C-N 3.34Å; L846-Y848 PolarHBondContact O-N 3.3Å; L846-L849 WeakPolarHBondContact O-CB 3.49Å; L846-L849 PolarHBondContact O-N 2.74Å; L846-M850 VanDerWaalsContact O-CG 3.3Å; L846-M850 WeakPolarHBondContact O-CG 3.46Å; L846-M850 PolarHBondContact O-N 2.97Å |
| 847 | T | 79.2 | Confident | 68.4 | Low | 60 Ų | 60 | 120.9 Ų | 120.9 | 37% | 0.368 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -57.7 | -46.7 | 173.7 | -52.1 | 0 | 0 | 0 | 0 | 110.8 | E843 K844 L849 M850 E851 | E843-T847 PolarHBondContact O-N 2.87Å; E843-T847 PolarHBondContact O-OG1 3.36Å; K844-T847 PolarHBondContact O-N 2.87Å; T847-L849 VanDerWaalsContact C-N 3.32Å; T847-L849 PolarHBondContact O-N 2.78Å; T847-M850 CarbonylContact O-C 3.59Å; T847-M850 WeakPolarHBondContact O-CA 3.36Å; T847-M850 PolarHBondContact O-N 3.48Å; T847-E851 HydrophobicContact CG2-CG 4.34Å; T847-E851 WeakPolarHBondContact O-CG 3.32Å; T847-E851 PolarHBondContact O-N 3.18Å |
| 848 | Y | 76.4 | Confident | 65.6 | Low | 141 Ų | 141 | 123.9 Ų | 123.9 | 55% | 0.553 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -57.3 | -43.1 | 176 | -174.5 | -82.1 | 0 | 0 | 0 | 112.2 | K844 L846 M850 E851 D852 | K844-Y848 PolarHBondContact O-N 3Å; K844-Y848 VanDerWaalsContact O-N 3.1Å; L846-Y848 VanDerWaalsContact C-N 3.34Å; L846-Y848 PolarHBondContact O-N 3.3Å; Y848-M850 VanDerWaalsContact C-N 3.29Å; Y848-M850 PolarHBondContact O-N 3.25Å; Y848-E851 PolarHBondContact O-N 2.93Å; Y848-D852 WeakPolarHBondContact CE1-OD2 3.44Å; Y848-D852 PolarHBondContact O-N 3.19Å; Y848-D852 VanDerWaalsContact O-N 3.14Å; Y848-D852 PolarHBondContact OH-OD2 3.31Å |
| 849 | L | 70.6 | Confident | 63.1 | Low | 116 Ų | 116 | 127.6 Ų | 127.6 | 61% | 0.607 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -66.3 | -26.7 | 174.5 | -81.4 | 160.1 | 0 | 0 | 0 | 113.8 | M845 L846 T847 S853 | M845-L849 PolarHBondContact O-N 3.24Å; L846-L849 WeakPolarHBondContact O-CB 3.49Å; L846-L849 PolarHBondContact O-N 2.74Å; T847-L849 VanDerWaalsContact C-N 3.32Å; T847-L849 PolarHBondContact O-N 2.78Å; L849-S853 PolarHBondContact O-OG 3.33Å |
| 850 | M | 71.1 | Confident | 60.6 | Low | 139 Ų | 139 | 129.3 Ų | 129.3 | 69% | 0.685 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -85.1 | -24.1 | 176.8 | -69.4 | 173.6 | 65.6 | 0 | 0 | 113 | L846 T847 Y848 S853 | L846-M850 VanDerWaalsContact O-CG 3.3Å; L846-M850 WeakPolarHBondContact O-CG 3.46Å; L846-M850 PolarHBondContact O-N 2.97Å; T847-M850 CarbonylContact O-C 3.59Å; T847-M850 WeakPolarHBondContact O-CA 3.36Å; T847-M850 PolarHBondContact O-N 3.48Å; Y848-M850 VanDerWaalsContact C-N 3.29Å; Y848-M850 PolarHBondContact O-N 3.25Å; M850-S853 WeakPolarHBondContact CA-OG 3.43Å; M850-S853 PolarHBondContact O-OG 2.94Å |
| 851 | E | 57.7 | Low | 57.8 | Low | 146 Ų | 146 | 134.7 Ų | 134.7 | 68% | 0.682 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -80.4 | -35 | 174.3 | -71.6 | 177.5 | 159.9 | 0 | 0 | 111.8 | T847 Y848 S853 | T847-E851 HydrophobicContact CG2-CG 4.34Å; T847-E851 WeakPolarHBondContact O-CG 3.32Å; T847-E851 PolarHBondContact O-N 3.18Å; Y848-E851 PolarHBondContact O-N 2.93Å; E851-S853 VanDerWaalsContact C-N 3.26Å; E851-S853 PolarHBondContact O-N 2.91Å |
| 852 | D | 49.7 | Very low | 55.2 | Low | 111 Ų | 111 | 139.6 Ų | 139.6 | 59% | 0.594 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 6.1 | 177.2 | -93.2 | -9.9 | 0 | 0 | 0 | 114.3 | Y848 | Y848-D852 WeakPolarHBondContact CE1-OD2 3.44Å; Y848-D852 PolarHBondContact O-N 3.19Å; Y848-D852 VanDerWaalsContact O-N 3.14Å; Y848-D852 PolarHBondContact OH-OD2 3.31Å |
| 853 | S | 44.9 | Very low | 52.7 | Low | 83 Ų | 83 | 139.2 Ų | 139.2 | 58% | 0.58 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.9 | 19.5 | -171.2 | 44.5 | 0 | 0 | 0 | 0 | 117.3 | L849 M850 E851 | L849-S853 PolarHBondContact O-OG 3.33Å; M850-S853 WeakPolarHBondContact CA-OG 3.43Å; M850-S853 PolarHBondContact O-OG 2.94Å; E851-S853 VanDerWaalsContact C-N 3.26Å; E851-S853 PolarHBondContact O-N 2.91Å |
| 854 | E | 43.2 | Very low | 50.2 | Low | 199 Ų | 199 | 139 Ų | 139 | 93% | 0.93 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -90.4 | 15.6 | 166.7 | -86.2 | -152.3 | 151.5 | 0 | 0 | 115.1 | ||
| 855 | D | 38.4 | Very low | 47.5 | Very low | 132 Ų | 132 | 140.1 Ų | 140.1 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -141.2 | 139.4 | 174.2 | -150 | -8.4 | 0 | 0 | 0 | 115.5 | ||
| 856 | K | 34.3 | Very low | 45.2 | Very low | 188 Ų | 188 | 138.7 Ų | 138.7 | 82% | 0.817 | 72% | 0.723 | S | S | * | * | trans | 73.1 | 119.6 | 174.1 | -59.8 | 176 | -173.7 | 164.5 | 0 | 119.9 | ||||
| 857 | M | 30.7 | Very low | 42.7 | Very low | 174 Ų | 174 | 142.2 Ų | 142.2 | 86% | 0.857 | 74% | 0.741 | S | S | * | * | trans | -88.2 | 173.6 | 165.1 | -59.1 | 179.3 | 172 | 0 | 0 | 112.2 | ||||
| 858 | T | 29.6 | Very low | 40.7 | Very low | 133 Ų | 133 | 146.9 Ų | 146.9 | 82% | 0.816 | 76% | 0.763 | S | S | * | * | trans | 69.7 | 143.2 | 163.4 | 64.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 859 | E | 32.1 | Very low | 38.9 | Very low | 192 Ų | 192 | 146 Ų | 146 | 90% | 0.897 | 78% | 0.775 | S | S | * | * | cis | -124.3 | 178.2 | 11.6 | -69 | 177.3 | 130.9 | 0 | 0 | 113.2 | ||||
| 860 | T | 31 | Very low | 37.4 | Very low | 130 Ų | 130 | 146.1 Ų | 146.1 | 80% | 0.798 | 78% | 0.783 | S | S | * | * | trans | -112.7 | 154.2 | -172.5 | 49.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 861 | E | 29.3 | Very low | 35.8 | Very low | 197 Ų | 197 | 148 Ų | 148 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | trans | -158.5 | 158.1 | 140.9 | -120.4 | 173.4 | -148.6 | 0 | 0 | 112.2 | ||||
| 862 | D | 29.1 | Very low | 35.1 | Very low | 146 Ų | 146 | 146.6 Ų | 146.6 | 78% | 0.781 | 79% | 0.794 | S | S | * | * | trans | -102.5 | 151.8 | -154.6 | -59.6 | -75.8 | 0 | 0 | 0 | 117.1 | ||||
| 863 | I | 32.3 | Very low | 34.1 | Very low | 165 Ų | 165 | 146.2 Ų | 146.2 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | trans | -137.8 | 139.1 | 144.9 | -61.5 | -174.5 | 0 | 0 | 0 | 108.6 | ||||
| 864 | P | 33 | Very low | 33.8 | Very low | 126 Ų | 126 | 150.3 Ų | 150.3 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -88.9 | 167.4 | -168.4 | -3.3 | 23.5 | 0 | 0 | 0 | 115.9 | ||||
| 865 | D | 28.1 | Very low | 33.4 | Very low | 150 Ų | 150 | 146.3 Ų | 146.3 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | trans | -100.7 | 171.7 | -175 | -175.1 | 26.4 | 0 | 0 | 0 | 113.9 | ||||
| 866 | S | 28.6 | Very low | 32.9 | Very low | 92 Ų | 92 | 145.9 Ų | 145.9 | 64% | 0.643 | 82% | 0.819 | S | S | * | * | trans | 76.7 | 153.4 | 164.3 | 82.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 867 | L | 27.4 | Very low | 32.7 | Very low | 166 Ų | 166 | 142.1 Ų | 142.1 | 87% | 0.869 | 82% | 0.816 | S | S | * | * | cis | -143.8 | 167.3 | 13.4 | -75.4 | 166.5 | 0 | 0 | 0 | 113.2 | ||||
| 868 | L | 38.1 | Very low | 32.9 | Very low | 158 Ų | 158 | 139 Ų | 139 | 83% | 0.827 | 81% | 0.809 | S | S | * | * | trans | -69.2 | 160.1 | 156.7 | -68.7 | 160.6 | 0 | 0 | 0 | 111.2 | ||||
| 869 | P | 37.2 | Very low | 32.7 | Very low | 122 Ų | 122 | 139.6 Ų | 139.6 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | -155.1 | -139.2 | 88.1 | 44.5 | -20.2 | 0 | 0 | 0 | 114.8 | |||||
| 870 | P | 39.1 | Very low | 32.4 | Very low | 120 Ų | 120 | 138.1 Ų | 138.1 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | -134.9 | -163.4 | -127.2 | 39.9 | -14.2 | 0 | 0 | 0 | 117.7 | |||||
| 871 | E | 38.3 | Very low | 32.1 | Very low | 179 Ų | 179 | 139.3 Ų | 139.3 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | trans | -57.8 | 171 | 161.9 | -72.5 | -166 | 125.5 | 0 | 0 | 113.5 | ||||
| 872 | P | 42.3 | Very low | 32.1 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | cis | -153.9 | -176 | 28 | 46 | -24.3 | 0 | 0 | 0 | 120.7 | ||||
| 873 | A | 30.1 | Very low | 32.1 | Very low | 103 Ų | 103 | 133.8 Ų | 133.8 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | trans | 72.4 | 160.3 | 142.4 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 874 | L | 37.7 | Very low | 31.8 | Very low | 169 Ų | 169 | 134.9 Ų | 134.9 | 89% | 0.885 | 79% | 0.785 | S | S | * | * | trans | -101.2 | 166.3 | -175.7 | -75.2 | 159.7 | 0 | 0 | 0 | 113.4 | ||||
| 875 | P | 35.5 | Very low | 31.3 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 74% | 0.74 | 79% | 0.79 | S | S | * | * | -156.1 | 164.1 | 112.4 | 39.2 | -21.4 | 0 | 0 | 0 | 119.7 | |||||
| 876 | S | 26.7 | Very low | 31.2 | Very low | 123 Ų | 123 | 138.6 Ų | 138.6 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | 81.4 | 154.1 | 143.6 | 65.4 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 877 | S | 30.8 | Very low | 31.2 | Very low | 110 Ų | 110 | 140.1 Ų | 140.1 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | -128.2 | 174.3 | -172.3 | 58 | 0 | 0 | 0 | 0 | 112 | ||||
| 878 | P | 35.4 | Very low | 31.1 | Very low | 109 Ų | 109 | 136.5 Ų | 136.5 | 71% | 0.708 | 79% | 0.785 | S | S | * | * | -158.8 | 148.2 | 104.3 | 37.3 | -17.2 | 0 | 0 | 0 | 119.4 | |||||
| 879 | L | 25.6 | Very low | 31.1 | Very low | 144 Ų | 144 | 135.1 Ų | 135.1 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | trans | 60.7 | 177.6 | 149.1 | -56.7 | 173.9 | 0 | 0 | 0 | 117.1 | ||||
| 880 | E | 24.9 | Very low | 30.6 | Very low | 161 Ų | 161 | 136.2 Ų | 136.2 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | cis | -160.7 | 178.5 | -27.6 | -107.3 | 167.3 | 165.4 | 0 | 0 | 106.9 | ||||
| 881 | E | 25.5 | Very low | 30.1 | Very low | 155 Ų | 155 | 139.5 Ų | 139.5 | 72% | 0.724 | 80% | 0.795 | S | S | * | * | cis | -151.3 | -155.3 | 6.4 | -141.5 | -94.7 | 82.2 | 0 | 0 | 109.3 | ||||
| 882 | T | 28.7 | Very low | 29.8 | Very low | 104 Ų | 104 | 136.3 Ų | 136.3 | 64% | 0.638 | 79% | 0.792 | S | S | * | * | trans | -121.3 | 175.5 | 178.6 | 66.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 883 | P | 29.5 | Very low | 29.2 | Very low | 124 Ų | 124 | 136.5 Ų | 136.5 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | -152.1 | 179.8 | 87.7 | 39.6 | -19.4 | 0 | 0 | 0 | 116.4 | |||||
| 884 | E | 25.4 | Very low | 29.6 | Very low | 187 Ų | 187 | 138 Ų | 138 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | trans | -95.4 | 164.1 | -178.4 | -50.8 | 178.5 | 116.2 | 0 | 0 | 114.9 | ||||
| 885 | W | 23.3 | Very low | 30 | Very low | 246 Ų | 246 | 136.9 Ų | 136.9 | 93% | 0.932 | 78% | 0.783 | S | S | * | * | trans | -150.9 | 138.4 | 141.6 | -164.4 | -79.6 | 0 | 0 | 0 | 115 | ||||
| 886 | V | 25.5 | Very low | 30.4 | Very low | 109 Ų | 109 | 140 Ų | 140 | 66% | 0.661 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -51.5 | 144.3 | -177.1 | -166.1 | 0 | 0 | 0 | 0 | 117.8 | ||
| 887 | P | 27.3 | Very low | 31.7 | Very low | 123 Ų | 123 | 138.8 Ų | 138.8 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 134.7 | 160.7 | 34.4 | -31.4 | 0 | 0 | 0 | 113.2 | ||
| 888 | A | 27.2 | Very low | 33.5 | Very low | 91 Ų | 91 | 135.9 Ų | 135.9 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 158.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 889 | P | 38 | Very low | 35.1 | Very low | 128 Ų | 128 | 130.9 Ų | 130.9 | 83% | 0.831 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -87 | 150.4 | -165.1 | 34.2 | -36.4 | 0 | 0 | 0 | 114.8 | ||
| 890 | V | 26.1 | Very low | 37.1 | Very low | 146 Ų | 146 | 127.2 Ų | 127.2 | 89% | 0.885 | 70% | 0.696 | S | S | * | * | trans | -132.1 | 143 | 166.5 | -177.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 891 | Q | 29.2 | Very low | 39.2 | Very low | 188 Ų | 188 | 124 Ų | 124 | 88% | 0.879 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 156.1 | -166.9 | -66.7 | 166.1 | -20.2 | 0 | 0 | 113.7 | ||
| 892 | S | 30.3 | Very low | 41.3 | Very low | 113 Ų | 113 | 118 Ų | 118 | 79% | 0.79 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 127.9 | -179.9 | 52.3 | 0 | 0 | 0 | 0 | 113.2 | ||
| 893 | P | 31.6 | Very low | 43.3 | Very low | 120 Ų | 120 | 114.4 Ų | 114.4 | 78% | 0.779 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 151.5 | 160.8 | -15 | 30.4 | 0 | 0 | 0 | 111.4 | ||
| 894 | T | 36.9 | Very low | 45.1 | Very low | 135 Ų | 135 | 112.6 Ų | 112.6 | 83% | 0.828 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 157 | 172.7 | 38.5 | 0 | 0 | 0 | 0 | 112.3 | E896 | T894-E896 PolarHBondContact O-N 2.88Š|
| 895 | E | 47.7 | Very low | 46.8 | Very low | 144 Ų | 144 | 108.8 Ų | 108.8 | 67% | 0.673 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | -10 | -157 | -67.5 | -153.8 | 92.6 | 0 | 0 | 117.6 | K1065 | E895-K1065 IonicContact OE1-NZ 2.88Å; E895-K1065 PolarHBondContact OE1-NZ 3.28Å |
| 896 | E | 42.9 | Very low | 48.7 | Very low | 180 Ų | 180 | 99.4 Ų | 99.4 | 84% | 0.841 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -19.5 | -161.6 | -62.3 | -164 | 126.6 | 0 | 0 | 116.3 | T894 | T894-E896 PolarHBondContact O-N 2.88Š|
| 897 | D | 54.6 | Low | 50.2 | Low | 98 Ų | 98 | 99.7 Ų | 99.7 | 52% | 0.524 | 59% | 0.585 | S | S | . | * | trans | -128.1 | 16.3 | -166.6 | -130.1 | 4.3 | 0 | 0 | 0 | 117.4 | V899 V900 S901 | D897-V899 PolarHBondContact O-N 3.13Å; D897-V900 PolarHBondContact O-N 2.88Å; D897-V900 VanDerWaalsContact O-N 3.12Å; D897-V900 WeakPolarHBondContact OD1-CB 3.44Å; D897-V900 WeakPolarHBondContact OD1-CG2 3.41Å; D897-S901 PolarHBondContact O-N 3.29Å | ||
| 898 | F | 68.9 | Low | 51.5 | Low | 48 Ų | 48 | 96.9 Ų | 96.9 | 21% | 0.211 | 57% | 0.569 | C | S | . | * | H | α-helix | trans | -61.9 | -27.8 | -178.4 | 88.7 | -88.4 | 0 | 0 | 0 | 114.3 | S901 I902 I1058 I1061 I1096 | F898-S901 PolarHBondContact O-OG 2.75Å; F898-I902 HydrophobicContact CD2-CD1 3.9Å; F898-I902 HydrophobicContact CE2-CD1 4.35Å; F898-I902 WeakPolarHBondContact O-CD1 3.36Å; F898-I902 WeakPolarHBondContact O-CG1 3.32Å; F898-I902 PolarHBondContact O-N 3.24Å; F898-I1058 HydrophobicContact CE2-CG1 4.41Å; F898-I1061 HydrophobicContact CD2-CG2 4.4Å; F898-I1061 HydrophobicContact CE2-CG2 4.17Å; F898-I1096 HydrophobicContact CE1-CD1 4.32Å; F898-I1096 HydrophobicContact CZ-CD1 4.18Å; F898-I1096 HydrophobicContact CZ-CG2 4.07Å |
| 899 | V | 68 | Low | 52.8 | Low | 4 Ų | 4 | 96.9 Ų | 96.9 | 2% | 0.024 | 55% | 0.554 | C | S | . | * | H | α-helix | trans | -70.8 | -35.6 | 178.2 | -176.3 | 0 | 0 | 0 | 0 | 110.7 | D897 V903 I1058 I1096 K1099 L1100 L1103 | D897-V899 PolarHBondContact O-N 3.13Å; V899-V903 WeakPolarHBondContact O-CG2 3.45Å; V899-V903 PolarHBondContact O-N 3.13Å; V899-I1058 HydrophobicContact CG1-CD1 4.34Å; V899-I1096 HydrophobicContact CG2-CG2 4.13Å; V899-K1099 HydrophobicContact CG1-CG 4.49Å; V899-L1100 HydrophobicContact CG1-CB 4.47Å; V899-L1103 HydrophobicContact CG1-CD1 3.96Å |
| 900 | V | 67.9 | Low | 53.7 | Low | 67 Ų | 67 | 93.2 Ų | 93.2 | 41% | 0.406 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -73.2 | -38.3 | 179.3 | 176.9 | 0 | 0 | 0 | 0 | 110.6 | D897 I902 V903 L1103 | D897-V900 PolarHBondContact O-N 2.88Å; D897-V900 VanDerWaalsContact O-N 3.12Å; D897-V900 WeakPolarHBondContact OD1-CB 3.44Å; D897-V900 WeakPolarHBondContact OD1-CG2 3.41Å; V900-I902 PolarHBondContact O-N 3.2Å; V900-V903 PolarHBondContact O-N 3.26Å; V900-L1103 HydrophobicContact CG2-CD1 4.35Å |
| 901 | S | 68.6 | Low | 54.9 | Low | 94 Ų | 94 | 87.9 Ų | 87.9 | 66% | 0.657 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.7 | -21.5 | 177 | 67.5 | 0 | 0 | 0 | 0 | 114.4 | D897 F898 | D897-S901 PolarHBondContact O-N 3.29Å; F898-S901 PolarHBondContact O-OG 2.75Å |
| 902 | I | 69.9 | Low | 56 | Low | 30 Ų | 30 | 83.2 Ų | 83.2 | 15% | 0.154 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -83.2 | -32.4 | 174.8 | -67.9 | 168.2 | 0 | 0 | 0 | 112 | F898 V900 T904 E1054 E1057 I1058 I1061 | F898-I902 HydrophobicContact CD2-CD1 3.9Å; F898-I902 HydrophobicContact CE2-CD1 4.35Å; F898-I902 WeakPolarHBondContact O-CD1 3.36Å; F898-I902 WeakPolarHBondContact O-CG1 3.32Å; F898-I902 PolarHBondContact O-N 3.24Å; V900-I902 PolarHBondContact O-N 3.2Å; I902-T904 PolarHBondContact O-N 3.42Å; I902-E1054 HydrophobicContact CG2-CB 4.11Å; I902-E1054 HydrophobicContact CG2-CG 4.08Å; I902-E1057 HydrophobicContact CG2-CB 4.34Å; I902-I1058 HydrophobicContact CD1-CD1 4.38Å; I902-I1058 HydrophobicContact CD1-CG1 3.69Å; I902-I1058 HydrophobicContact CG2-CD1 4.25Å; I902-I1058 HydrophobicContact CG2-CG1 4.3Å; I902-I1061 HydrophobicContact CD1-CD1 3.54Å |
| 903 | V | 70.5 | Confident | 57.3 | Low | 28 Ų | 28 | 81.7 Ų | 81.7 | 17% | 0.17 | 46% | 0.459 | C | S | . | . | S | Bend | trans | -81.4 | 80.7 | -179 | -179.9 | 0 | 0 | 0 | 0 | 110.3 | V899 V900 L1100 L1103 | V899-V903 WeakPolarHBondContact O-CG2 3.45Å; V899-V903 PolarHBondContact O-N 3.13Å; V900-V903 PolarHBondContact O-N 3.26Å; V903-L1100 HydrophobicContact CG2-CD1 3.71Å; V903-L1103 HydrophobicContact CG1-CB 4.43Å; V903-L1103 HydrophobicContact CG2-CB 4.43Å; V903-L1103 HydrophobicContact CG2-CD1 4.32Å |
| 904 | T | 67 | Low | 58.3 | Low | 85 Ų | 85 | 78.2 Ų | 78.2 | 52% | 0.521 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 133.6 | 175.1 | 55.7 | 0 | 0 | 0 | 0 | 112.1 | I902 I906 R1107 | I902-T904 PolarHBondContact O-N 3.42Å; T904-I906 PolarHBondContact O-N 3.34Å; T904-R1107 PolarHBondContact O-NH1 2.85Å |
| 905 | D | 60.6 | Low | 58.9 | Low | 107 Ų | 107 | 77.3 Ų | 77.3 | 57% | 0.572 | 42% | 0.416 | S | S | * | . | P | Polyproline II helix | trans | -73.9 | 126.5 | 173.2 | -136.2 | 4.1 | 0 | 0 | 0 | 108.5 | K1110 | D905-K1110 IonicContact OD1-NZ 3.32Å; D905-K1110 PolarHBondContact OD1-NZ 3.36Å; D905-K1110 IonicContact OD2-NZ 2.73Å; D905-K1110 PolarHBondContact OD2-NZ 3.1Å |
| 906 | I | 63.3 | Low | 58.9 | Low | 49 Ų | 49 | 77.1 Ų | 77.1 | 25% | 0.251 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -82.5 | 125.4 | -178.1 | -59 | -179.4 | 0 | 0 | 0 | 108.4 | T904 S908 L1047 T1050 | T904-I906 PolarHBondContact O-N 3.34Å; I906-S908 PolarHBondContact O-N 2.96Å; I906-S908 VanDerWaalsContact O-N 3.16Å; I906-L1047 HydrophobicContact CD1-CD1 3.77Å; I906-T1050 HydrophobicContact CD1-CG2 4.17Å |
| 907 | P | 57.8 | Low | 59.4 | Low | 115 Ų | 115 | 73.4 Ų | 73.4 | 75% | 0.747 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 118.4 | -178.6 | 24.9 | -33.5 | 0 | 0 | 0 | 111 | M909 | P907-M909 PolarHBondContact O-N 3.01Š|
| 908 | S | 53.6 | Low | 59 | Low | 64 Ų | 64 | 76.9 Ų | 76.9 | 45% | 0.448 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -76 | 118.3 | 175.3 | 56.7 | 0 | 0 | 0 | 0 | 110.4 | I906 K1114 | I906-S908 PolarHBondContact O-N 2.96Å; I906-S908 VanDerWaalsContact O-N 3.16Å; S908-K1114 PolarHBondContact OG-NZ 3.12Å |
| 909 | M | 55.5 | Low | 58 | Low | 91 Ų | 91 | 79.7 Ų | 79.7 | 45% | 0.448 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 143.4 | 177.7 | -165.6 | 178 | -55.1 | 0 | 0 | 111.7 | P907 D913 Y1039 | P907-M909 PolarHBondContact O-N 3.01Å; M909-D913 HydrophobicContact CG-CB 3.58Å; M909-D913 HydrophobicContact SD-CB 4.25Å; M909-Y1039 WeakPolarHBondContact CE-OH 3.38Å; M909-Y1039 PolarHBondContact SD-OH 3.1Å; M909-Y1039 VanDerWaalsContact SD-OH 3.42Å |
| 910 | S | 56.6 | Low | 57 | Low | 52 Ų | 52 | 81.6 Ų | 81.6 | 36% | 0.364 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -90.8 | 163.8 | -178.2 | 74.8 | 0 | 0 | 0 | 0 | 113.3 | E912 D913 L914 | S910-E912 PolarHBondContact O-N 2.95Å; S910-E912 PolarHBondContact OG-N 3.02Å; S910-D913 WeakPolarHBondContact CA-OD2 3.49Å; S910-D913 VanDerWaalsContact CB-OD2 3.29Å; S910-D913 WeakPolarHBondContact CB-OD2 3.49Å; S910-D913 PolarHBondContact N-OD2 2.93Å; S910-D913 PolarHBondContact O-N 3.08Å; S910-D913 PolarHBondContact OG-N 2.9Å; S910-D913 PolarHBondContact OG-OD2 3.43Å; S910-L914 PolarHBondContact O-N 2.91Å |
| 911 | L | 52.4 | Low | 56 | Low | 33 Ų | 33 | 81.4 Ų | 81.4 | 17% | 0.173 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -60.1 | -31.4 | 173 | -159.6 | 77.6 | 0 | 0 | 0 | 112 | R915 M1118 M1122 L1125 | L911-R915 WeakPolarHBondContact O-CD 3.41Å; L911-R915 VanDerWaalsContact O-CG 3.26Å; L911-R915 WeakPolarHBondContact O-CG 3.46Å; L911-R915 PolarHBondContact O-N 2.96Å; L911-R915 VanDerWaalsContact O-N 3.12Å; L911-M1118 HydrophobicContact CD1-CG 4.43Å; L911-M1122 HydrophobicContact CD1-CG 3.79Å; L911-M1122 HydrophobicContact CD1-SD 4.2Å; L911-L1125 HydrophobicContact CD2-CD1 4Å |
| 912 | E | 51.6 | Low | 55.4 | Low | 90 Ų | 90 | 83.7 Ų | 83.7 | 42% | 0.421 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -72 | -38.3 | 177.8 | -110 | 47.1 | -118.2 | 0 | 0 | 112.7 | S910 L914 R915 Q916 | S910-E912 PolarHBondContact O-N 2.95Å; S910-E912 PolarHBondContact OG-N 3.02Å; E912-L914 VanDerWaalsContact C-N 3.3Å; E912-L914 PolarHBondContact O-N 3.26Å; E912-R915 PolarHBondContact O-N 3.35Å; E912-R915 WeakPolarHBondContact OE1-CD 3.3Å; E912-R915 IonicContact OE1-CZ 2.67Å; E912-R915 IonicContact OE1-NE 3.79Å; E912-R915 IonicContact OE1-NH1 3.82Å; E912-R915 PolarHBondContact OE1-NH1 2.76Å; E912-R915 IonicContact OE2-NH1 3.01Å; E912-R915 PolarHBondContact OE2-NH1 3.14Å; E912-Q916 WeakPolarHBondContact O-CB 3.45Å; E912-Q916 VanDerWaalsContact O-CG 3.29Å; E912-Q916 WeakPolarHBondContact O-CG 3.38Å; E912-Q916 PolarHBondContact O-N 3.27Å |
| 913 | D | 56.6 | Low | 54.5 | Low | 81 Ų | 81 | 85.4 Ų | 85.4 | 43% | 0.433 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61 | -42 | 174 | -60.8 | -57.8 | 0 | 0 | 0 | 111 | M909 S910 R915 Q916 Q917 | M909-D913 HydrophobicContact CG-CB 3.58Å; M909-D913 HydrophobicContact SD-CB 4.25Å; S910-D913 WeakPolarHBondContact CA-OD2 3.49Å; S910-D913 VanDerWaalsContact CB-OD2 3.29Å; S910-D913 WeakPolarHBondContact CB-OD2 3.49Å; S910-D913 PolarHBondContact N-OD2 2.93Å; S910-D913 PolarHBondContact O-N 3.08Å; S910-D913 PolarHBondContact OG-N 2.9Å; S910-D913 PolarHBondContact OG-OD2 3.43Å; D913-R915 VanDerWaalsContact C-N 3.35Å; D913-Q916 PolarHBondContact O-N 3.41Å; D913-Q917 PolarHBondContact O-N 2.75Å |
| 914 | L | 52.4 | Low | 53.6 | Low | 48 Ų | 48 | 87.7 Ų | 87.7 | 25% | 0.251 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.6 | -39.1 | 177.2 | -162.8 | 72.8 | 0 | 0 | 0 | 111.6 | S910 E912 | S910-L914 PolarHBondContact O-N 2.91Å; E912-L914 VanDerWaalsContact C-N 3.3Å; E912-L914 PolarHBondContact O-N 3.26Å |
| 915 | R | 50.8 | Low | 53.3 | Low | 116 Ų | 116 | 91.1 Ų | 91.1 | 44% | 0.438 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -68.2 | -32.5 | 175.6 | -74.1 | 164.3 | 171.4 | -174.1 | -0 | 113.2 | L911 E912 D913 Q917 | L911-R915 WeakPolarHBondContact O-CD 3.41Å; L911-R915 VanDerWaalsContact O-CG 3.26Å; L911-R915 WeakPolarHBondContact O-CG 3.46Å; L911-R915 PolarHBondContact O-N 2.96Å; L911-R915 VanDerWaalsContact O-N 3.12Å; E912-R915 PolarHBondContact O-N 3.35Å; E912-R915 WeakPolarHBondContact OE1-CD 3.3Å; E912-R915 IonicContact OE1-CZ 2.67Å; E912-R915 IonicContact OE1-NE 3.79Å; E912-R915 IonicContact OE1-NH1 3.82Å; E912-R915 PolarHBondContact OE1-NH1 2.76Å; E912-R915 IonicContact OE2-NH1 3.01Å; E912-R915 PolarHBondContact OE2-NH1 3.14Å; D913-R915 VanDerWaalsContact C-N 3.35Å; R915-Q917 VanDerWaalsContact C-N 3.32Å; R915-Q917 PolarHBondContact O-N 2.84Å |
| 916 | Q | 47.9 | Very low | 53.5 | Low | 140 Ų | 140 | 91.5 Ų | 91.5 | 65% | 0.654 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -5.2 | -178.1 | -72.5 | -180 | 49.9 | 0 | 0 | 114.3 | E912 D913 K918 | E912-Q916 WeakPolarHBondContact O-CB 3.45Å; E912-Q916 VanDerWaalsContact O-CG 3.29Å; E912-Q916 WeakPolarHBondContact O-CG 3.38Å; E912-Q916 PolarHBondContact O-N 3.27Å; D913-Q916 PolarHBondContact O-N 3.41Å; Q916-K918 PolarHBondContact O-N 2.97Å |
| 917 | Q | 53.5 | Low | 53.2 | Low | 101 Ų | 101 | 89.9 Ų | 89.9 | 47% | 0.472 | 44% | 0.444 | S | S | . | . | trans | -63.1 | 121.5 | -176.1 | -152.1 | -166.2 | 77.6 | 0 | 0 | 112.2 | D913 R915 N919 L920 T921 | D913-Q917 PolarHBondContact O-N 2.75Å; R915-Q917 VanDerWaalsContact C-N 3.32Å; R915-Q917 PolarHBondContact O-N 2.84Å; Q917-N919 PolarHBondContact O-N 3.35Å; Q917-L920 PolarHBondContact O-N 3.24Å; Q917-T921 PolarHBondContact O-N 3.03Å; Q917-T921 PolarHBondContact O-OG1 3.09Å | ||
| 918 | K | 45.3 | Very low | 53.2 | Low | 171 Ų | 171 | 90.5 Ų | 90.5 | 74% | 0.743 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -48.2 | -29.3 | -172.4 | -87 | 178.6 | 175.5 | 171 | 0 | 115.5 | Q916 K922 | Q916-K918 PolarHBondContact O-N 2.97Å; K918-K922 VanDerWaalsContact O-CG 3.27Å; K918-K922 WeakPolarHBondContact O-CG 3.37Å; K918-K922 PolarHBondContact O-N 3.05Å |
| 919 | N | 47.6 | Very low | 54 | Low | 108 Ų | 108 | 93.4 Ų | 93.4 | 58% | 0.578 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -74.4 | -41.8 | 179.7 | -66.7 | -16.4 | 0 | 0 | 0 | 112 | Q917 K922 L923 | Q917-N919 PolarHBondContact O-N 3.35Å; N919-K922 WeakPolarHBondContact O-CB 3.17Å; N919-K922 PolarHBondContact O-N 3.44Å; N919-L923 PolarHBondContact O-N 3.32Å |
| 920 | L | 48.2 | Very low | 54.6 | Low | 44 Ų | 44 | 91.3 Ų | 91.3 | 23% | 0.23 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -69.2 | -37.8 | 179.7 | -161 | 151.7 | 0 | 0 | 0 | 110.9 | Q917 L923 K924 | Q917-L920 PolarHBondContact O-N 3.24Å; L920-L923 PolarHBondContact O-N 3.46Å; L920-K924 HydrophobicContact CD2-CD 3.9Å; L920-K924 HydrophobicContact CD2-CG 4.45Å; L920-K924 PolarHBondContact O-N 3.29Å |
| 921 | T | 46.5 | Very low | 55 | Low | 63 Ų | 63 | 90.6 Ų | 90.6 | 39% | 0.387 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.3 | -36.7 | 172.3 | -28.7 | 0 | 0 | 0 | 0 | 112.8 | Q917 K925 | Q917-T921 PolarHBondContact O-N 3.03Å; Q917-T921 PolarHBondContact O-OG1 3.09Å; T921-K925 WeakPolarHBondContact O-CG 3.48Å; T921-K925 PolarHBondContact O-N 2.93Å |
| 922 | K | 55.2 | Low | 55.7 | Low | 142 Ų | 142 | 91.3 Ų | 91.3 | 62% | 0.617 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -66.3 | -44.5 | 173.7 | -80.1 | 173.3 | 178.5 | -178.6 | 0 | 111.5 | K918 N919 K925 K926 | K918-K922 VanDerWaalsContact O-CG 3.27Å; K918-K922 WeakPolarHBondContact O-CG 3.37Å; K918-K922 PolarHBondContact O-N 3.05Å; N919-K922 WeakPolarHBondContact O-CB 3.17Å; N919-K922 PolarHBondContact O-N 3.44Å; K922-K925 PolarHBondContact O-N 3.18Å; K922-K926 PolarHBondContact O-N 3.2Å |
| 923 | L | 51.4 | Low | 56.9 | Low | 65 Ų | 65 | 90.4 Ų | 90.4 | 34% | 0.34 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.5 | -49.6 | 179.3 | -176.5 | 60.3 | 0 | 0 | 0 | 111.3 | N919 L920 K925 K926 Q927 | N919-L923 PolarHBondContact O-N 3.32Å; L920-L923 PolarHBondContact O-N 3.46Å; L923-K925 VanDerWaalsContact C-N 3.33Å; L923-K925 PolarHBondContact O-N 2.9Å; L923-K926 WeakPolarHBondContact O-CA 3.49Å; L923-K926 WeakPolarHBondContact O-CB 3.32Å; L923-K926 PolarHBondContact O-N 2.92Å; L923-Q927 HydrophobicContact CD1-CG 4.33Å; L923-Q927 WeakPolarHBondContact O-CG 3.29Å; L923-Q927 PolarHBondContact O-N 2.82Å |
| 924 | K | 51.9 | Low | 57.6 | Low | 77 Ų | 77 | 87.4 Ų | 87.4 | 34% | 0.335 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60 | -39.3 | 176.9 | -71.4 | -175.4 | 173.4 | -178 | 0 | 112.6 | L920 K926 L928 H1011 | L920-K924 HydrophobicContact CD2-CD 3.9Å; L920-K924 HydrophobicContact CD2-CG 4.45Å; L920-K924 PolarHBondContact O-N 3.29Å; K924-K926 PolarHBondContact O-N 3.3Å; K924-L928 WeakPolarHBondContact O-CB 3.37Å; K924-L928 WeakPolarHBondContact O-CD1 3.42Å; K924-L928 VanDerWaalsContact O-CG 3.32Å; K924-L928 WeakPolarHBondContact O-CG 3.28Å; K924-L928 PolarHBondContact O-N 3.34Å; K924-L928 VanDerWaalsContact O-N 3.12Å; K924-H1011 PolarHBondContact NZ-NE2 3.38Å |
| 925 | K | 60 | Low | 58.4 | Low | 157 Ų | 157 | 88.8 Ų | 88.8 | 68% | 0.683 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -65.2 | -34.6 | 173.1 | -78 | -174.1 | 176 | -174.6 | 0 | 113.3 | T921 K922 L923 K929 | T921-K925 WeakPolarHBondContact O-CG 3.48Å; T921-K925 PolarHBondContact O-N 2.93Å; K922-K925 PolarHBondContact O-N 3.18Å; L923-K925 VanDerWaalsContact C-N 3.33Å; L923-K925 PolarHBondContact O-N 2.9Å; K925-K929 PolarHBondContact O-N 3.35Å |
| 926 | K | 65.9 | Low | 59.5 | Low | 114 Ų | 114 | 89.1 Ų | 89.1 | 50% | 0.496 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -67.4 | -53.2 | 174.5 | -172.6 | -167.8 | 171.7 | -93.9 | 0 | 111.1 | K922 L923 K924 L928 K929 D930 | K922-K926 PolarHBondContact O-N 3.2Å; L923-K926 WeakPolarHBondContact O-CA 3.49Å; L923-K926 WeakPolarHBondContact O-CB 3.32Å; L923-K926 PolarHBondContact O-N 2.92Å; K924-K926 PolarHBondContact O-N 3.3Å; K926-L928 VanDerWaalsContact C-N 3.32Å; K926-L928 PolarHBondContact O-N 3.38Å; K926-K929 WeakPolarHBondContact O-CA 3.42Å; K926-K929 WeakPolarHBondContact O-CB 3.36Å; K926-K929 PolarHBondContact O-N 2.86Å; K926-D930 VanDerWaalsContact CE-OD2 3.29Å; K926-D930 WeakPolarHBondContact CE-OD2 3.19Å; K926-D930 WeakPolarHBondContact CG-OD2 3.34Å; K926-D930 IonicContact NZ-OD2 2.74Å; K926-D930 PolarHBondContact NZ-OD2 2.96Å; K926-D930 PolarHBondContact O-N 2.91Å |
| 927 | Q | 55.8 | Low | 60.9 | Low | 16 Ų | 16 | 88.2 Ų | 88.2 | 8% | 0.075 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -58.3 | -40.6 | -178.2 | -69.9 | 168.7 | -30.5 | 0 | 0 | 112.8 | L923 K929 D930 F931 H1006 E1009 | L923-Q927 HydrophobicContact CD1-CG 4.33Å; L923-Q927 WeakPolarHBondContact O-CG 3.29Å; L923-Q927 PolarHBondContact O-N 2.82Å; Q927-K929 VanDerWaalsContact C-N 3.34Å; Q927-K929 PolarHBondContact O-N 3.26Å; Q927-D930 PolarHBondContact O-N 3.31Å; Q927-F931 WeakPolarHBondContact O-CB 3.28Å; Q927-F931 PolarHBondContact O-N 3.29Å; Q927-H1006 HydrophobicContact CB-CB 4.03Å; Q927-H1006 HydrophobicContact CG-CB 3.98Å; Q927-H1006 PolarHBondContact NE2-O 3.43Å; Q927-H1006 PolarHBondContact O-ND1 2.86Å; Q927-E1009 PolarHBondContact NE2-OE2 3.09Å |
| 928 | L | 59.1 | Low | 62 | Low | 127 Ų | 127 | 83.8 Ų | 83.8 | 67% | 0.665 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -61.6 | -38.7 | 173.4 | -76.5 | 168.2 | 0 | 0 | 0 | 112.8 | K924 K926 S932 | K924-L928 WeakPolarHBondContact O-CB 3.37Å; K924-L928 WeakPolarHBondContact O-CD1 3.42Å; K924-L928 VanDerWaalsContact O-CG 3.32Å; K924-L928 WeakPolarHBondContact O-CG 3.28Å; K924-L928 PolarHBondContact O-N 3.34Å; K924-L928 VanDerWaalsContact O-N 3.12Å; K926-L928 VanDerWaalsContact C-N 3.32Å; K926-L928 PolarHBondContact O-N 3.38Å; L928-S932 WeakPolarHBondContact O-CB 3.47Å; L928-S932 PolarHBondContact O-N 3.09Å; L928-S932 VanDerWaalsContact O-N 3.13Å |
| 929 | K | 69.3 | Low | 63.2 | Low | 126 Ų | 126 | 80.1 Ų | 80.1 | 55% | 0.548 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -68.7 | -50.3 | 175.8 | -170.6 | -165.9 | 174.8 | -149.3 | 0 | 111 | K925 K926 Q927 F931 S932 E933 | K925-K929 PolarHBondContact O-N 3.35Å; K926-K929 WeakPolarHBondContact O-CA 3.42Å; K926-K929 WeakPolarHBondContact O-CB 3.36Å; K926-K929 PolarHBondContact O-N 2.86Å; Q927-K929 VanDerWaalsContact C-N 3.34Å; Q927-K929 PolarHBondContact O-N 3.26Å; K929-F931 VanDerWaalsContact C-N 3.31Å; K929-F931 PolarHBondContact O-N 3.06Å; K929-S932 WeakPolarHBondContact O-CB 3.49Å; K929-S932 PolarHBondContact O-N 2.94Å; K929-S932 VanDerWaalsContact O-N 3.13Å; K929-E933 WeakPolarHBondContact CE-OE1 3.48Å; K929-E933 IonicContact NZ-OE1 3.58Å; K929-E933 PolarHBondContact NZ-OE1 3Å; K929-E933 PolarHBondContact O-N 3.26Å |
| 930 | D | 68.3 | Low | 64.6 | Low | 46 Ų | 46 | 82.1 Ų | 82.1 | 25% | 0.246 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.2 | -41.4 | -176.6 | -65.8 | -8.1 | 0 | 0 | 0 | 110.8 | K926 Q927 E933 L934 | K926-D930 VanDerWaalsContact CE-OD2 3.29Å; K926-D930 WeakPolarHBondContact CE-OD2 3.19Å; K926-D930 WeakPolarHBondContact CG-OD2 3.34Å; K926-D930 IonicContact NZ-OD2 2.74Å; K926-D930 PolarHBondContact NZ-OD2 2.96Å; K926-D930 PolarHBondContact O-N 2.91Å; Q927-D930 PolarHBondContact O-N 3.31Å; D930-E933 PolarHBondContact O-N 3.38Å; D930-L934 PolarHBondContact O-N 2.75Å; D930-L934 VanDerWaalsContact O-N 3.08Å |
| 931 | F | 65.5 | Low | 66 | Low | 38 Ų | 38 | 84.9 Ų | 84.9 | 17% | 0.167 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -66.9 | -42 | 173.5 | -175.6 | -105.7 | 0 | 0 | 0 | 113.4 | Q927 K929 E933 L934 R935 E999 Q1003 | Q927-F931 WeakPolarHBondContact O-CB 3.28Å; Q927-F931 PolarHBondContact O-N 3.29Å; K929-F931 VanDerWaalsContact C-N 3.31Å; K929-F931 PolarHBondContact O-N 3.06Å; F931-E933 VanDerWaalsContact C-N 3.27Å; F931-E933 PolarHBondContact O-N 3.47Å; F931-L934 PolarHBondContact O-N 3.2Å; F931-L934 VanDerWaalsContact O-N 3.14Å; F931-R935 PolarHBondContact O-N 3.17Å; F931-E999 HydrophobicContact CE2-CB 4.39Å; F931-Q1003 HydrophobicContact CD2-CB 4.35Å; F931-Q1003 HydrophobicContact CE2-CB 3.85Å; F931-Q1003 HydrophobicContact CE2-CG 4.2Å; F931-Q1003 HydrophobicContact CZ-CB 4.46Å; F931-Q1003 HydrophobicContact CZ-CG 4.4Å; F931-Q1003 VanDerWaalsContact CZ-OE1 3.24Å |
| 932 | S | 67 | Low | 67.3 | Low | 48 Ų | 48 | 83 Ų | 83 | 34% | 0.336 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.1 | -36.8 | 175.1 | -170.7 | 0 | 0 | 0 | 0 | 112 | L928 K929 K936 | L928-S932 WeakPolarHBondContact O-CB 3.47Å; L928-S932 PolarHBondContact O-N 3.09Å; L928-S932 VanDerWaalsContact O-N 3.13Å; K929-S932 WeakPolarHBondContact O-CB 3.49Å; K929-S932 PolarHBondContact O-N 2.94Å; K929-S932 VanDerWaalsContact O-N 3.13Å; S932-K936 WeakPolarHBondContact O-CD 3.35Å; S932-K936 WeakPolarHBondContact O-CG 3.44Å; S932-K936 PolarHBondContact O-N 3.38Å; S932-K936 PolarHBondContact OG-NZ 3.1Å |
| 933 | E | 76.4 | Confident | 68.1 | Low | 70 Ų | 70 | 80 Ų | 80 | 33% | 0.327 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -69 | -36.4 | 173.7 | -74.8 | -167 | -154.3 | 0 | 0 | 112.9 | K929 D930 F931 K937 | K929-E933 WeakPolarHBondContact CE-OE1 3.48Å; K929-E933 IonicContact NZ-OE1 3.58Å; K929-E933 PolarHBondContact NZ-OE1 3Å; K929-E933 PolarHBondContact O-N 3.26Å; D930-E933 PolarHBondContact O-N 3.38Å; F931-E933 VanDerWaalsContact C-N 3.27Å; F931-E933 PolarHBondContact O-N 3.47Å; E933-K937 WeakPolarHBondContact O-CB 3.48Å; E933-K937 WeakPolarHBondContact O-CD 3.48Å; E933-K937 VanDerWaalsContact O-CG 3.28Å; E933-K937 WeakPolarHBondContact O-CG 3.49Å; E933-K937 PolarHBondContact O-N 2.97Å; E933-K937 IonicContact OE2-NZ 3.77Å; E933-K937 PolarHBondContact OE2-NZ 3.23Å; E933-K937 VanDerWaalsContact OE2-NZ 3.16Å |
| 934 | L | 72 | Confident | 69.3 | Low | 19 Ų | 19 | 79.3 Ų | 79.3 | 10% | 0.099 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.2 | -51.1 | 174.8 | -177.2 | 66.4 | 0 | 0 | 0 | 111.5 | D930 F931 K936 K937 N938 E999 M1002 | D930-L934 PolarHBondContact O-N 2.75Å; D930-L934 VanDerWaalsContact O-N 3.08Å; F931-L934 PolarHBondContact O-N 3.2Å; F931-L934 VanDerWaalsContact O-N 3.14Å; L934-K936 PolarHBondContact O-N 3.22Å; L934-K937 WeakPolarHBondContact O-CB 3.33Å; L934-K937 PolarHBondContact O-N 3.11Å; L934-N938 PolarHBondContact O-N 3.23Å; L934-E999 HydrophobicContact CD2-CG 4.09Å; L934-E999 HydrophobicContact CG-CG 4.39Å; L934-M1002 HydrophobicContact CB-CE 4.43Å; L934-M1002 HydrophobicContact CB-SD 3.85Å; L934-M1002 HydrophobicContact CD2-CB 3.94Å; L934-M1002 HydrophobicContact CD2-CE 3.9Å; L934-M1002 HydrophobicContact CD2-CG 4.34Å; L934-M1002 HydrophobicContact CD2-SD 3.54Å; L934-M1002 VanDerWaalsContact CD2-SD 3.54Å; L934-M1002 HydrophobicContact CG-SD 4.26Å |
| 935 | R | 68 | Low | 70.4 | Confident | 77 Ų | 77 | 78 Ų | 78 | 29% | 0.291 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -55.8 | -41.2 | 178.2 | -104.3 | -170.2 | 178.9 | -179.8 | 11.5 | 111.7 | F931 N938 Q939 E999 E1140 | F931-R935 PolarHBondContact O-N 3.17Å; R935-N938 PolarHBondContact O-N 3.32Å; R935-Q939 WeakPolarHBondContact O-CB 3.3Å; R935-Q939 PolarHBondContact O-N 3.24Å; R935-E999 HydrophobicContact CG-CG 4.18Å; R935-E999 WeakPolarHBondContact CG-OE2 3.29Å; R935-E999 IonicContact CZ-OE2 3.53Å; R935-E999 IonicContact NE-OE2 2.65Å; R935-E999 PolarHBondContact NE-OE2 3.23Å; R935-E999 IonicContact NH2-OE2 3.82Å; R935-E1140 IonicContact CZ-OE1 2.59Å; R935-E1140 IonicContact CZ-OE2 3.18Å; R935-E1140 IonicContact NH1-OE1 3.73Å; R935-E1140 PolarHBondContact NH1-OE1 3.14Å; R935-E1140 IonicContact NH1-OE2 3.5Å; R935-E1140 VanDerWaalsContact NH2-CD 3.26Å; R935-E1140 IonicContact NH2-OE1 2.7Å; R935-E1140 PolarHBondContact NH2-OE1 3.44Å; R935-E1140 IonicContact NH2-OE2 2.96Å; R935-E1140 PolarHBondContact NH2-OE2 3.35Å |
| 936 | K | 75.4 | Confident | 70.9 | Confident | 122 Ų | 122 | 71.2 Ų | 71.2 | 53% | 0.53 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.5 | -36.7 | 175.1 | -73.5 | 167.3 | -178.8 | 156.5 | 0 | 113.5 | S932 L934 K940 | S932-K936 WeakPolarHBondContact O-CD 3.35Å; S932-K936 WeakPolarHBondContact O-CG 3.44Å; S932-K936 PolarHBondContact O-N 3.38Å; S932-K936 PolarHBondContact OG-NZ 3.1Å; L934-K936 PolarHBondContact O-N 3.22Å; K936-K940 WeakPolarHBondContact O-CG 3.32Å; K936-K940 PolarHBondContact O-N 3.05Å |
| 937 | K | 76.8 | Confident | 71.2 | Confident | 122 Ų | 122 | 72.1 Ų | 72.1 | 53% | 0.53 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67.8 | -44.4 | 174.5 | -75.1 | 161.8 | -173.7 | 155.4 | 0 | 110.9 | E933 L934 K940 K941 | E933-K937 WeakPolarHBondContact O-CB 3.48Å; E933-K937 WeakPolarHBondContact O-CD 3.48Å; E933-K937 VanDerWaalsContact O-CG 3.28Å; E933-K937 WeakPolarHBondContact O-CG 3.49Å; E933-K937 PolarHBondContact O-N 2.97Å; E933-K937 IonicContact OE2-NZ 3.77Å; E933-K937 PolarHBondContact OE2-NZ 3.23Å; E933-K937 VanDerWaalsContact OE2-NZ 3.16Å; L934-K937 WeakPolarHBondContact O-CB 3.33Å; L934-K937 PolarHBondContact O-N 3.11Å; K937-K940 PolarHBondContact O-N 2.85Å; K937-K941 PolarHBondContact O-N 3.4Å |
| 938 | N | 76.3 | Confident | 72.1 | Confident | 7 Ų | 7 | 76.3 Ų | 76.3 | 4% | 0.037 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -65.8 | -48.3 | 179.4 | -73 | 1 | 0 | 0 | 0 | 112.1 | L934 R935 K940 K941 I942 L995 E999 | L934-N938 PolarHBondContact O-N 3.23Å; R935-N938 PolarHBondContact O-N 3.32Å; N938-K940 VanDerWaalsContact C-N 3.3Å; N938-K940 PolarHBondContact O-N 3.06Å; N938-K941 WeakPolarHBondContact O-CA 3.23Å; N938-K941 VanDerWaalsContact O-CB 3.31Å; N938-K941 WeakPolarHBondContact O-CB 3.39Å; N938-K941 PolarHBondContact O-N 2.79Å; N938-I942 WeakPolarHBondContact O-CD1 3.29Å; N938-I942 PolarHBondContact O-N 2.77Å; N938-L995 HydrophobicContact CB-CB 4.45Å; N938-L995 PolarHBondContact ND2-O 3.39Å; N938-E999 WeakPolarHBondContact CB-OE1 3.38Å; N938-E999 WeakPolarHBondContact ND2-CG 3.35Å; N938-E999 PolarHBondContact ND2-OE1 3.44Å |
| 939 | Q | 70.3 | Confident | 72.7 | Confident | 94 Ų | 94 | 72.6 Ų | 72.6 | 44% | 0.439 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -57.8 | -41.9 | 178.1 | -164.7 | 176.3 | 29.6 | 0 | 0 | 111.9 | R935 K941 I942 Q943 | R935-Q939 WeakPolarHBondContact O-CB 3.3Å; R935-Q939 PolarHBondContact O-N 3.24Å; Q939-K941 PolarHBondContact O-N 2.74Å; Q939-I942 PolarHBondContact O-N 3.32Å; Q939-Q943 VanDerWaalsContact O-CG 3.32Å; Q939-Q943 WeakPolarHBondContact O-CG 3.3Å; Q939-Q943 PolarHBondContact O-N 3.4Å |
| 940 | K | 77.4 | Confident | 72.7 | Confident | 150 Ų | 150 | 71.1 Ų | 71.1 | 65% | 0.652 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -63.1 | -36.9 | 171.9 | -75.5 | -178.8 | 176.5 | -171.8 | 0 | 113.1 | K936 K937 N938 Q943 S944 | K936-K940 WeakPolarHBondContact O-CG 3.32Å; K936-K940 PolarHBondContact O-N 3.05Å; K937-K940 PolarHBondContact O-N 2.85Å; N938-K940 VanDerWaalsContact C-N 3.3Å; N938-K940 PolarHBondContact O-N 3.06Å; K940-Q943 PolarHBondContact O-N 3.31Å; K940-S944 WeakPolarHBondContact O-CB 3.26Å; K940-S944 PolarHBondContact O-N 3.5Å |
| 941 | K | 76.9 | Confident | 72.9 | Confident | 102 Ų | 102 | 71.6 Ų | 71.6 | 44% | 0.443 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.4 | -47.8 | 177.4 | -167.8 | 177.9 | 176.9 | -171.4 | 0 | 111.3 | K937 N938 Q939 S944 E945 L995 | K937-K941 PolarHBondContact O-N 3.4Å; N938-K941 WeakPolarHBondContact O-CA 3.23Å; N938-K941 VanDerWaalsContact O-CB 3.31Å; N938-K941 WeakPolarHBondContact O-CB 3.39Å; N938-K941 PolarHBondContact O-N 2.79Å; Q939-K941 PolarHBondContact O-N 2.74Å; K941-S944 PolarHBondContact O-N 2.99Å; K941-E945 PolarHBondContact O-N 2.81Å; K941-L995 HydrophobicContact CD-CD1 4.11Å; K941-L995 HydrophobicContact CD-CD2 4.17Å |
| 942 | I | 74.5 | Confident | 73.1 | Confident | 23 Ų | 23 | 73.4 Ų | 73.4 | 12% | 0.118 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -60.3 | -45.5 | 174.1 | -76.6 | 122 | 0 | 0 | 0 | 111.7 | N938 Q939 S944 E945 S946 L988 R992 L995 | N938-I942 WeakPolarHBondContact O-CD1 3.29Å; N938-I942 PolarHBondContact O-N 2.77Å; Q939-I942 PolarHBondContact O-N 3.32Å; I942-S944 PolarHBondContact O-N 3.45Å; I942-E945 PolarHBondContact O-N 2.81Å; I942-S946 VanDerWaalsContact O-CB 3.3Å; I942-S946 WeakPolarHBondContact O-CB 3.33Å; I942-S946 PolarHBondContact O-N 2.97Å; I942-L988 HydrophobicContact CG2-CD2 4.42Å; I942-R992 HydrophobicContact CD1-CB 4.43Å; I942-L995 HydrophobicContact CD1-CD1 3.57Å; I942-L995 HydrophobicContact CG1-CD1 4.04Å |
| 943 | Q | 71.2 | Confident | 73.3 | Confident | 81 Ų | 81 | 72.2 Ų | 72.2 | 38% | 0.379 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61 | -43.6 | 178 | -73.4 | 172.9 | -5.7 | 0 | 0 | 112.1 | Q939 K940 Q947 | Q939-Q943 VanDerWaalsContact O-CG 3.32Å; Q939-Q943 WeakPolarHBondContact O-CG 3.3Å; Q939-Q943 PolarHBondContact O-N 3.4Å; K940-Q943 PolarHBondContact O-N 3.31Å; Q943-Q947 WeakPolarHBondContact O-CB 3.38Å; Q943-Q947 WeakPolarHBondContact O-CG 3.47Å; Q943-Q947 PolarHBondContact O-N 3.29Å |
| 944 | S | 77.4 | Confident | 72.9 | Confident | 50 Ų | 50 | 73.7 Ų | 73.7 | 35% | 0.35 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.4 | -45.9 | 176.8 | -171.5 | 0 | 0 | 0 | 0 | 112.2 | K940 K941 I942 Q947 K948 | K940-S944 WeakPolarHBondContact O-CB 3.26Å; K940-S944 PolarHBondContact O-N 3.5Å; K941-S944 PolarHBondContact O-N 2.99Å; I942-S944 PolarHBondContact O-N 3.45Å; S944-Q947 PolarHBondContact O-N 2.81Å; S944-K948 WeakPolarHBondContact O-CG 3.3Å; S944-K948 PolarHBondContact O-N 3.22Å |
| 945 | E | 74.7 | Confident | 72.9 | Confident | 50 Ų | 50 | 79.1 Ų | 79.1 | 23% | 0.234 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.8 | -40.8 | -179.3 | -135.1 | 60.1 | -142.5 | 0 | 0 | 111.9 | K941 I942 Q947 K948 K949 L991 | K941-E945 PolarHBondContact O-N 2.81Å; I942-E945 PolarHBondContact O-N 2.81Å; E945-Q947 PolarHBondContact O-N 3.48Å; E945-K948 VanDerWaalsContact CD-NZ 3.31Å; E945-K948 PolarHBondContact O-N 3.37Å; E945-K948 WeakPolarHBondContact OE1-CD 3.05Å; E945-K948 IonicContact OE1-NZ 3.58Å; E945-K948 PolarHBondContact OE1-NZ 2.95Å; E945-K948 IonicContact OE2-NZ 3.46Å; E945-K948 PolarHBondContact OE2-NZ 2.9Å; E945-K949 WeakPolarHBondContact O-CB 3.27Å; E945-K949 WeakPolarHBondContact O-CG 3.3Å; E945-K949 PolarHBondContact O-N 3.34Å; E945-L991 HydrophobicContact CB-CD2 4Å; E945-L991 HydrophobicContact CG-CD2 4.03Å |
| 946 | S | 70.8 | Confident | 72.8 | Confident | 13 Ų | 13 | 79.4 Ų | 79.4 | 9% | 0.091 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -58.3 | -44.9 | 172.1 | -175.3 | 0 | 0 | 0 | 0 | 111.6 | I942 K949 R950 | I942-S946 VanDerWaalsContact O-CB 3.3Å; I942-S946 WeakPolarHBondContact O-CB 3.33Å; I942-S946 PolarHBondContact O-N 2.97Å; S946-K949 PolarHBondContact O-N 3.3Å; S946-R950 VanDerWaalsContact O-CB 3.23Å; S946-R950 WeakPolarHBondContact O-CB 3.38Å; S946-R950 WeakPolarHBondContact O-CD 3.43Å; S946-R950 WeakPolarHBondContact O-CG 3.5Å; S946-R950 PolarHBondContact O-N 3.05Å; S946-R950 PolarHBondContact OG-NE 3.03Å |
| 947 | Q | 71.8 | Confident | 72.5 | Confident | 134 Ų | 134 | 75.5 Ų | 75.5 | 63% | 0.626 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -65.4 | -41.9 | 176.6 | -75.6 | 177.7 | -6.1 | 0 | 0 | 113.4 | Q943 S944 E945 R950 A951 | Q943-Q947 WeakPolarHBondContact O-CB 3.38Å; Q943-Q947 WeakPolarHBondContact O-CG 3.47Å; Q943-Q947 PolarHBondContact O-N 3.29Å; S944-Q947 PolarHBondContact O-N 2.81Å; E945-Q947 PolarHBondContact O-N 3.48Å; Q947-R950 WeakPolarHBondContact O-CB 3.45Å; Q947-A951 WeakPolarHBondContact O-CB 3.38Å; Q947-A951 PolarHBondContact O-N 3.04Å |
| 948 | K | 75.9 | Confident | 72.1 | Confident | 104 Ų | 104 | 75.4 Ų | 75.4 | 45% | 0.452 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60.9 | -47.7 | 174.7 | -68.8 | 168.6 | -167.4 | 167.1 | 0 | 111.5 | S944 E945 A951 T952 | S944-K948 WeakPolarHBondContact O-CG 3.3Å; S944-K948 PolarHBondContact O-N 3.22Å; E945-K948 VanDerWaalsContact CD-NZ 3.31Å; E945-K948 PolarHBondContact O-N 3.37Å; E945-K948 WeakPolarHBondContact OE1-CD 3.05Å; E945-K948 IonicContact OE1-NZ 3.58Å; E945-K948 PolarHBondContact OE1-NZ 2.95Å; E945-K948 IonicContact OE2-NZ 3.46Å; E945-K948 PolarHBondContact OE2-NZ 2.9Å; K948-A951 PolarHBondContact O-N 3.02Å; K948-T952 WeakPolarHBondContact O-CB 3.43Å; K948-T952 PolarHBondContact O-N 3.16Å; K948-T952 PolarHBondContact O-OG1 2.92Å |
| 949 | K | 70.8 | Confident | 71.5 | Confident | 48 Ų | 48 | 82.9 Ų | 82.9 | 21% | 0.209 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -70.3 | -37.7 | -178.3 | -65.6 | -170.9 | 178.6 | -168.1 | 0 | 111.5 | E945 S946 T952 I953 N984 E987 | E945-K949 WeakPolarHBondContact O-CB 3.27Å; E945-K949 WeakPolarHBondContact O-CG 3.3Å; E945-K949 PolarHBondContact O-N 3.34Å; S946-K949 PolarHBondContact O-N 3.3Å; K949-T952 PolarHBondContact O-N 3.05Å; K949-I953 WeakPolarHBondContact O-CG1 3Å; K949-I953 PolarHBondContact O-N 3.49Å; K949-N984 WeakPolarHBondContact CD-OD1 3.2Å; K949-E987 IonicContact NZ-OE1 3.8Å; K949-E987 PolarHBondContact NZ-OE1 3.17Å; K949-E987 IonicContact NZ-OE2 2.92Å; K949-E987 PolarHBondContact NZ-OE2 3.34Å |
| 950 | R | 68.8 | Low | 71.1 | Confident | 95 Ų | 95 | 81 Ų | 81 | 36% | 0.358 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -49.3 | -57.9 | 166.3 | -81.5 | 160.1 | 176.5 | -112 | -1.2 | 111.6 | S946 Q947 T952 I953 E954 W981 Y1151 | S946-R950 VanDerWaalsContact O-CB 3.23Å; S946-R950 WeakPolarHBondContact O-CB 3.38Å; S946-R950 WeakPolarHBondContact O-CD 3.43Å; S946-R950 WeakPolarHBondContact O-CG 3.5Å; S946-R950 PolarHBondContact O-N 3.05Å; S946-R950 PolarHBondContact OG-NE 3.03Å; Q947-R950 WeakPolarHBondContact O-CB 3.45Å; R950-T952 VanDerWaalsContact C-N 3.3Å; R950-T952 PolarHBondContact O-N 3.28Å; R950-I953 PolarHBondContact O-N 2.96Å; R950-E954 PolarHBondContact O-N 3.26Å; R950-E954 VanDerWaalsContact O-N 3.09Å; R950-W981 HydrophobicContact CB-CH2 4.15Å; R950-W981 HydrophobicContact CG-CH2 3.55Å; R950-W981 HydrophobicContact CG-CZ3 4.22Å; R950-Y1151 PolarHBondContact NH2-O 3.3Å |
| 951 | A | 72.3 | Confident | 70.5 | Confident | 57 Ų | 57 | 78.8 Ų | 78.8 | 47% | 0.471 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -62.7 | -34.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113 | Q947 K948 K955 | Q947-A951 WeakPolarHBondContact O-CB 3.38Å; Q947-A951 PolarHBondContact O-N 3.04Å; K948-A951 PolarHBondContact O-N 3.02Å; A951-K955 WeakPolarHBondContact O-CB 3.19Å; A951-K955 PolarHBondContact O-N 3.08Å |
| 952 | T | 71.2 | Confident | 69.7 | Low | 76 Ų | 76 | 82.9 Ų | 82.9 | 47% | 0.466 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -68.7 | -47.3 | 178.4 | -61.9 | 0 | 0 | 0 | 0 | 112.3 | K948 K949 R950 E954 K955 N956 | K948-T952 WeakPolarHBondContact O-CB 3.43Å; K948-T952 PolarHBondContact O-N 3.16Å; K948-T952 PolarHBondContact O-OG1 2.92Å; K949-T952 PolarHBondContact O-N 3.05Å; R950-T952 VanDerWaalsContact C-N 3.3Å; R950-T952 PolarHBondContact O-N 3.28Å; T952-E954 VanDerWaalsContact C-N 3.34Å; T952-E954 PolarHBondContact O-N 3.18Å; T952-K955 PolarHBondContact O-N 2.87Å; T952-N956 WeakPolarHBondContact O-CB 3.4Å; T952-N956 PolarHBondContact O-N 3.43Å |
| 953 | I | 70.3 | Confident | 68.9 | Low | 22 Ų | 22 | 90.2 Ų | 90.2 | 11% | 0.113 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -60.5 | -46 | 176.3 | -67.4 | 171 | 0 | 0 | 0 | 110 | K949 R950 K955 N956 F957 W981 N984 | K949-I953 WeakPolarHBondContact O-CG1 3Å; K949-I953 PolarHBondContact O-N 3.49Å; R950-I953 PolarHBondContact O-N 2.96Å; I953-K955 PolarHBondContact O-N 3.23Å; I953-N956 PolarHBondContact O-N 2.73Å; I953-F957 WeakPolarHBondContact O-CB 3.39Å; I953-F957 PolarHBondContact O-N 3.17Å; I953-W981 HydrophobicContact CB-CZ2 4.35Å; I953-W981 HydrophobicContact CD1-CD2 3.87Å; I953-W981 HydrophobicContact CD1-CE3 3.9Å; I953-W981 HydrophobicContact CD1-CG 4.47Å; I953-W981 HydrophobicContact CD1-CH2 4.13Å; I953-W981 HydrophobicContact CD1-CZ2 4.12Å; I953-W981 HydrophobicContact CD1-CZ3 4.04Å; I953-W981 HydrophobicContact CG2-CZ2 4.2Å; I953-N984 HydrophobicContact CD1-CB 4.24Å; I953-N984 WeakPolarHBondContact CD1-ND2 3.44Å |
| 954 | E | 68.9 | Low | 68.2 | Low | 102 Ų | 102 | 90.1 Ų | 90.1 | 48% | 0.477 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -67.1 | -38.3 | -179.3 | -162.9 | -176.4 | 162 | 0 | 0 | 112.7 | R950 T952 F957 K958 | R950-E954 PolarHBondContact O-N 3.26Å; R950-E954 VanDerWaalsContact O-N 3.09Å; T952-E954 VanDerWaalsContact C-N 3.34Å; T952-E954 PolarHBondContact O-N 3.18Å; E954-F957 PolarHBondContact O-N 3.01Å; E954-K958 HydrophobicContact CG-CD 4.31Å; E954-K958 WeakPolarHBondContact O-CB 3.3Å; E954-K958 WeakPolarHBondContact O-CG 3.19Å; E954-K958 PolarHBondContact O-N 3.23Å; E954-K958 WeakPolarHBondContact OE1-CE 3.35Å; E954-K958 IonicContact OE1-NZ 3.64Å; E954-K958 PolarHBondContact OE1-NZ 3.19Å |
| 955 | K | 71.1 | Confident | 66.7 | Low | 133 Ų | 133 | 93 Ų | 93 | 58% | 0.578 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -66.3 | -35.4 | 174.9 | -174.7 | 175.2 | -175.6 | 176.1 | 0 | 112.4 | A951 T952 I953 R959 | A951-K955 WeakPolarHBondContact O-CB 3.19Å; A951-K955 PolarHBondContact O-N 3.08Å; T952-K955 PolarHBondContact O-N 2.87Å; I953-K955 PolarHBondContact O-N 3.23Å; K955-R959 WeakPolarHBondContact O-CB 3.04Å; K955-R959 WeakPolarHBondContact O-CG 3.26Å; K955-R959 PolarHBondContact O-N 3.06Å; K955-R959 VanDerWaalsContact O-N 3.15Å |
| 956 | N | 66.6 | Low | 65.7 | Low | 82 Ų | 82 | 93.9 Ų | 93.9 | 44% | 0.439 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -72.7 | -44.7 | 174.7 | -72.5 | -12.2 | 0 | 0 | 0 | 111.3 | T952 I953 K958 R959 S960 | T952-N956 WeakPolarHBondContact O-CB 3.4Å; T952-N956 PolarHBondContact O-N 3.43Å; I953-N956 PolarHBondContact O-N 2.73Å; N956-K958 PolarHBondContact O-N 3.21Å; N956-R959 WeakPolarHBondContact O-CA 3.33Å; N956-R959 WeakPolarHBondContact O-CB 3.48Å; N956-R959 PolarHBondContact O-N 3.26Å; N956-S960 PolarHBondContact O-N 2.64Å; N956-S960 PolarHBondContact O-OG 3.41Å |
| 957 | F | 68.8 | Low | 65 | Low | 41 Ų | 41 | 101.2 Ų | 101.2 | 18% | 0.18 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -58.2 | -46.4 | 175.1 | -172.1 | -113 | 0 | 0 | 0 | 112.1 | I953 E954 R959 S960 I961 L973 K977 | I953-F957 WeakPolarHBondContact O-CB 3.39Å; I953-F957 PolarHBondContact O-N 3.17Å; E954-F957 PolarHBondContact O-N 3.01Å; F957-R959 VanDerWaalsContact C-N 3.26Å; F957-R959 PolarHBondContact O-N 3.24Å; F957-S960 PolarHBondContact O-N 2.71Å; F957-I961 HydrophobicContact CD1-CD1 3.82Å; F957-I961 HydrophobicContact CE1-CD1 3.51Å; F957-I961 HydrophobicContact CE2-CD1 4.35Å; F957-I961 HydrophobicContact CG-CD1 4.37Å; F957-I961 HydrophobicContact CZ-CD1 3.81Å; F957-I961 WeakPolarHBondContact O-CG1 3.3Å; F957-I961 PolarHBondContact O-N 2.85Å; F957-L973 HydrophobicContact CE2-CB 4.43Å; F957-K977 HydrophobicContact CD1-CD 4.42Å; F957-K977 HydrophobicContact CD2-CB 4.35Å; F957-K977 HydrophobicContact CD2-CD 3.85Å; F957-K977 HydrophobicContact CD2-CG 4.4Å; F957-K977 HydrophobicContact CE1-CD 4.27Å; F957-K977 HydrophobicContact CE2-CB 4.4Å; F957-K977 HydrophobicContact CE2-CD 3.69Å; F957-K977 HydrophobicContact CG-CD 4.22Å; F957-K977 HydrophobicContact CZ-CD 3.91Å |
| 958 | K | 67.4 | Low | 64.1 | Low | 120 Ų | 120 | 102.1 Ų | 102.1 | 52% | 0.522 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.2 | -23.4 | 174.6 | -71.4 | 176.3 | -176.7 | 174.1 | 0 | 113.7 | E954 N956 K962 | E954-K958 HydrophobicContact CG-CD 4.31Å; E954-K958 WeakPolarHBondContact O-CB 3.3Å; E954-K958 WeakPolarHBondContact O-CG 3.19Å; E954-K958 PolarHBondContact O-N 3.23Å; E954-K958 WeakPolarHBondContact OE1-CE 3.35Å; E954-K958 IonicContact OE1-NZ 3.64Å; E954-K958 PolarHBondContact OE1-NZ 3.19Å; N956-K958 PolarHBondContact O-N 3.21Å; K958-K962 PolarHBondContact O-N 3.39Å |
| 959 | R | 64 | Low | 63.1 | Low | 164 Ų | 164 | 101.6 Ų | 101.6 | 62% | 0.619 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -76.8 | -41.6 | 171.3 | -85.1 | 173.1 | 160.8 | -173.5 | -8.5 | 112.1 | K955 N956 F957 K962 K963 | K955-R959 WeakPolarHBondContact O-CB 3.04Å; K955-R959 WeakPolarHBondContact O-CG 3.26Å; K955-R959 PolarHBondContact O-N 3.06Å; K955-R959 VanDerWaalsContact O-N 3.15Å; N956-R959 WeakPolarHBondContact O-CA 3.33Å; N956-R959 WeakPolarHBondContact O-CB 3.48Å; N956-R959 PolarHBondContact O-N 3.26Å; F957-R959 VanDerWaalsContact C-N 3.26Å; F957-R959 PolarHBondContact O-N 3.24Å; R959-K962 PolarHBondContact O-N 2.73Å; R959-K963 PolarHBondContact O-N 3.14Å |
| 960 | S | 63.1 | Low | 62.6 | Low | 55 Ų | 55 | 103.5 Ų | 103.5 | 39% | 0.385 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.9 | -47.1 | 175.4 | -60.2 | 0 | 0 | 0 | 0 | 111.3 | N956 F957 K962 K963 | N956-S960 PolarHBondContact O-N 2.64Å; N956-S960 PolarHBondContact O-OG 3.41Å; F957-S960 PolarHBondContact O-N 2.71Å; S960-K962 PolarHBondContact O-N 2.79Å; S960-K963 PolarHBondContact O-N 2.94Å |
| 961 | I | 63.2 | Low | 62.2 | Low | 102 Ų | 102 | 101 Ų | 101 | 52% | 0.523 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.8 | -31.2 | 176.7 | -67.6 | 169.1 | 0 | 0 | 0 | 112.5 | F957 K963 | F957-I961 HydrophobicContact CD1-CD1 3.82Å; F957-I961 HydrophobicContact CE1-CD1 3.51Å; F957-I961 HydrophobicContact CE2-CD1 4.35Å; F957-I961 HydrophobicContact CG-CD1 4.37Å; F957-I961 HydrophobicContact CZ-CD1 3.81Å; F957-I961 WeakPolarHBondContact O-CG1 3.3Å; F957-I961 PolarHBondContact O-N 2.85Å; I961-K963 VanDerWaalsContact C-N 3.35Å |
| 962 | K | 60.9 | Low | 61.7 | Low | 189 Ų | 189 | 103.4 Ų | 103.4 | 82% | 0.822 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -78.3 | -12 | 176.7 | -87 | -164.4 | 170.6 | -167.7 | 0 | 114.8 | K958 R959 S960 G964 | K958-K962 PolarHBondContact O-N 3.39Å; R959-K962 PolarHBondContact O-N 2.73Å; S960-K962 PolarHBondContact O-N 2.79Å; K962-G964 PolarHBondContact O-N 3.41Å |
| 963 | K | 57.3 | Low | 61.3 | Low | 176 Ų | 176 | 102 Ų | 102 | 77% | 0.765 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -89.1 | 89.6 | 162.2 | -74.1 | -170.8 | 173 | -170.8 | 0 | 107.1 | R959 S960 I961 D965 | R959-K963 PolarHBondContact O-N 3.14Å; S960-K963 PolarHBondContact O-N 2.94Å; I961-K963 VanDerWaalsContact C-N 3.35Å; K963-D965 PolarHBondContact O-N 2.76Å; K963-D965 VanDerWaalsContact O-N 3.16Å |
| 964 | G | 57.4 | Low | 61 | Low | 80 Ų | 80 | 106.1 Ų | 106.1 | 83% | 0.825 | 54% | 0.544 | S | S | * | . | trans | -52.4 | 118.9 | -172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K962 | K962-G964 PolarHBondContact O-N 3.41Š| ||
| 965 | D | 46.2 | Very low | 60.9 | Low | 109 Ų | 109 | 107.9 Ų | 107.9 | 58% | 0.583 | 55% | 0.55 | S | S | * | * | trans | -146.2 | 154.9 | -179.4 | -151.2 | -9.4 | 0 | 0 | 0 | 107.7 | K963 K969 | K963-D965 PolarHBondContact O-N 2.76Å; K963-D965 VanDerWaalsContact O-N 3.16Å; D965-K969 HydrophobicContact CB-CD 4.35Å; D965-K969 IonicContact OD1-NZ 2.9Å; D965-K969 PolarHBondContact OD1-NZ 2.95Å; D965-K969 WeakPolarHBondContact OD2-CD 3.47Å; D965-K969 IonicContact OD2-NZ 2.9Å; D965-K969 PolarHBondContact OD2-NZ 2.64Å | ||
| 966 | S | 53.6 | Low | 60.8 | Low | 69 Ų | 69 | 106.9 Ų | 106.9 | 48% | 0.483 | 55% | 0.547 | S | S | . | . | trans | -69.9 | 156.8 | -157.3 | 54.4 | 0 | 0 | 0 | 0 | 116.2 | D968 K969 | S966-D968 VanDerWaalsContact C-N 3.25Å; S966-D968 PolarHBondContact O-N 2.77Å; S966-D968 VanDerWaalsContact O-N 3.12Å; S966-K969 WeakPolarHBondContact O-CB 3.29Å; S966-K969 PolarHBondContact O-N 2.99Å | ||
| 967 | Q | 55 | Low | 60.8 | Low | 168 Ų | 168 | 106.1 Ų | 106.1 | 79% | 0.785 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -60.5 | -26.3 | -166.6 | -150.8 | 161.5 | -24.5 | 0 | 0 | 114.4 | K969 I970 | Q967-K969 VanDerWaalsContact C-N 3.3Å; Q967-K969 PolarHBondContact O-N 2.79Å; Q967-I970 HydrophobicContact CG-CD1 4.02Å; Q967-I970 WeakPolarHBondContact O-CD1 3.39Å; Q967-I970 VanDerWaalsContact O-CG1 3.32Å; Q967-I970 WeakPolarHBondContact O-CG1 3.38Å |
| 968 | D | 54 | Low | 60.7 | Low | 153 Ų | 153 | 106 Ų | 106 | 82% | 0.818 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -69.3 | -21.8 | 176.4 | -61.1 | -59 | 0 | 0 | 0 | 114 | S966 I970 | S966-D968 VanDerWaalsContact C-N 3.25Å; S966-D968 PolarHBondContact O-N 2.77Å; S966-D968 VanDerWaalsContact O-N 3.12Å; D968-I970 PolarHBondContact O-N 3.07Å |
| 969 | K | 54.9 | Low | 60.9 | Low | 93 Ų | 93 | 106.2 Ų | 106.2 | 40% | 0.404 | 55% | 0.549 | S | S | . | . | G | 310 helix | trans | -76.4 | -6.3 | 179.9 | -72.5 | 173.7 | 174.6 | 169.1 | 0 | 114.1 | D965 S966 Q967 G971 D972 L973 | D965-K969 HydrophobicContact CB-CD 4.35Å; D965-K969 IonicContact OD1-NZ 2.9Å; D965-K969 PolarHBondContact OD1-NZ 2.95Å; D965-K969 WeakPolarHBondContact OD2-CD 3.47Å; D965-K969 IonicContact OD2-NZ 2.9Å; D965-K969 PolarHBondContact OD2-NZ 2.64Å; S966-K969 WeakPolarHBondContact O-CB 3.29Å; S966-K969 PolarHBondContact O-N 2.99Å; Q967-K969 VanDerWaalsContact C-N 3.3Å; Q967-K969 PolarHBondContact O-N 2.79Å; K969-G971 VanDerWaalsContact C-N 3.33Å; K969-G971 PolarHBondContact O-N 2.65Å; K969-D972 PolarHBondContact O-N 3.23Å; K969-L973 PolarHBondContact O-N 2.88Å; K969-L973 VanDerWaalsContact O-N 3.08Å |
| 970 | I | 59.6 | Low | 61.1 | Low | 87 Ų | 87 | 102.9 Ų | 102.9 | 45% | 0.446 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.4 | -40 | -175.5 | -65.3 | 173 | 0 | 0 | 0 | 111.3 | Q967 D968 D972 L973 E974 | Q967-I970 HydrophobicContact CG-CD1 4.02Å; Q967-I970 WeakPolarHBondContact O-CD1 3.39Å; Q967-I970 VanDerWaalsContact O-CG1 3.32Å; Q967-I970 WeakPolarHBondContact O-CG1 3.38Å; D968-I970 PolarHBondContact O-N 3.07Å; I970-D972 PolarHBondContact O-N 3.24Å; I970-L973 PolarHBondContact O-N 3.12Å; I970-E974 HydrophobicContact CG2-CG 4.49Å; I970-E974 WeakPolarHBondContact O-CG 3.28Å; I970-E974 PolarHBondContact O-N 2.73Å |
| 971 | G | 60.6 | Low | 61.4 | Low | 44 Ų | 44 | 102 Ų | 102 | 45% | 0.454 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64 | -38 | -180 | 0 | 0 | 0 | 0 | 0 | 114 | K969 E974 K975 | K969-G971 VanDerWaalsContact C-N 3.33Å; K969-G971 PolarHBondContact O-N 2.65Å; G971-E974 PolarHBondContact O-N 2.8Å; G971-K975 PolarHBondContact O-N 2.82Å |
| 972 | D | 62.3 | Low | 61.7 | Low | 107 Ų | 107 | 103.8 Ų | 103.8 | 57% | 0.572 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -75.5 | -33.2 | 175.7 | -76.5 | -28.5 | 0 | 0 | 0 | 112.1 | K969 I970 E974 K975 Q976 | K969-D972 PolarHBondContact O-N 3.23Å; I970-D972 PolarHBondContact O-N 3.24Å; D972-E974 VanDerWaalsContact C-N 3.3Å; D972-E974 PolarHBondContact O-N 2.91Å; D972-K975 PolarHBondContact O-N 3.35Å; D972-Q976 VanDerWaalsContact O-CB 3.3Å; D972-Q976 WeakPolarHBondContact O-CB 3.33Å; D972-Q976 PolarHBondContact O-N 3.26Å |
| 973 | L | 62.9 | Low | 62.2 | Low | 45 Ų | 45 | 101.8 Ų | 101.8 | 24% | 0.236 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -63.7 | -34.1 | 169.2 | -85.1 | 160.6 | 0 | 0 | 0 | 112.3 | F957 K969 I970 K977 | F957-L973 HydrophobicContact CE2-CB 4.43Å; K969-L973 PolarHBondContact O-N 2.88Å; K969-L973 VanDerWaalsContact O-N 3.08Å; I970-L973 PolarHBondContact O-N 3.12Å; L973-K977 WeakPolarHBondContact O-CB 3.39Å; L973-K977 PolarHBondContact O-N 3.21Å |
| 974 | E | 64.2 | Low | 62.8 | Low | 110 Ų | 110 | 93.6 Ų | 93.6 | 51% | 0.514 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -72.9 | -40.6 | 173 | -71.7 | -165.7 | 144.1 | 0 | 0 | 112.5 | I970 G971 D972 K977 A978 | I970-E974 HydrophobicContact CG2-CG 4.49Å; I970-E974 WeakPolarHBondContact O-CG 3.28Å; I970-E974 PolarHBondContact O-N 2.73Å; G971-E974 PolarHBondContact O-N 2.8Å; D972-E974 VanDerWaalsContact C-N 3.3Å; D972-E974 PolarHBondContact O-N 2.91Å; E974-K977 WeakPolarHBondContact O-CB 3.33Å; E974-K977 PolarHBondContact O-N 3.45Å; E974-A978 WeakPolarHBondContact O-CB 3.33Å; E974-A978 PolarHBondContact O-N 2.92Å |
| 975 | K | 66.4 | Low | 63.4 | Low | 138 Ų | 138 | 91.2 Ų | 91.2 | 60% | 0.6 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -58.7 | -48.1 | 169.6 | -85.1 | 179.4 | 177 | 169.6 | 0 | 112.3 | G971 D972 K977 A978 Q979 | G971-K975 PolarHBondContact O-N 2.82Å; D972-K975 PolarHBondContact O-N 3.35Å; K975-K977 VanDerWaalsContact C-N 3.3Å; K975-K977 PolarHBondContact O-N 3.26Å; K975-A978 WeakPolarHBondContact O-CB 3.34Å; K975-A978 PolarHBondContact O-N 3.4Å; K975-A978 VanDerWaalsContact O-N 3.08Å; K975-Q979 WeakPolarHBondContact O-CG 3.38Å; K975-Q979 PolarHBondContact O-N 2.98Å |
| 976 | Q | 67.8 | Low | 64.4 | Low | 112 Ų | 112 | 91.5 Ų | 91.5 | 52% | 0.523 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.8 | -36.8 | -179.4 | -169.1 | 176.3 | 56.3 | 0 | 0 | 111.2 | D972 L980 | D972-Q976 VanDerWaalsContact O-CB 3.3Å; D972-Q976 WeakPolarHBondContact O-CB 3.33Å; D972-Q976 PolarHBondContact O-N 3.26Å; Q976-L980 HydrophobicContact CG-CD1 4.47Å; Q976-L980 WeakPolarHBondContact O-CB 3.49Å; Q976-L980 VanDerWaalsContact O-CG 3.28Å; Q976-L980 WeakPolarHBondContact O-CG 3.29Å; Q976-L980 PolarHBondContact O-N 2.89Å |
| 977 | K | 67.9 | Low | 65.4 | Low | 67 Ų | 67 | 91.5 Ų | 91.5 | 29% | 0.291 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.4 | -42.2 | 169.9 | 178.2 | -173.3 | 178.2 | -173.9 | 0 | 111.8 | F957 L973 E974 K975 L980 W981 | F957-K977 HydrophobicContact CD1-CD 4.42Å; F957-K977 HydrophobicContact CD2-CB 4.35Å; F957-K977 HydrophobicContact CD2-CD 3.85Å; F957-K977 HydrophobicContact CD2-CG 4.4Å; F957-K977 HydrophobicContact CE1-CD 4.27Å; F957-K977 HydrophobicContact CE2-CB 4.4Å; F957-K977 HydrophobicContact CE2-CD 3.69Å; F957-K977 HydrophobicContact CG-CD 4.22Å; F957-K977 HydrophobicContact CZ-CD 3.91Å; L973-K977 WeakPolarHBondContact O-CB 3.39Å; L973-K977 PolarHBondContact O-N 3.21Å; E974-K977 WeakPolarHBondContact O-CB 3.33Å; E974-K977 PolarHBondContact O-N 3.45Å; K975-K977 VanDerWaalsContact C-N 3.3Å; K975-K977 PolarHBondContact O-N 3.26Å; K977-L980 PolarHBondContact O-N 3.37Å; K977-W981 PolarHBondContact O-N 3.45Å |
| 978 | A | 66.9 | Low | 66.2 | Low | 37 Ų | 37 | 84 Ų | 84 | 31% | 0.306 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.8 | -43.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | E974 K975 L980 W981 E982 | E974-A978 WeakPolarHBondContact O-CB 3.33Å; E974-A978 PolarHBondContact O-N 2.92Å; K975-A978 WeakPolarHBondContact O-CB 3.34Å; K975-A978 PolarHBondContact O-N 3.4Å; K975-A978 VanDerWaalsContact O-N 3.08Å; A978-L980 PolarHBondContact O-N 3.1Å; A978-W981 WeakPolarHBondContact O-CA 3.45Å; A978-W981 VanDerWaalsContact O-CB 3.31Å; A978-W981 WeakPolarHBondContact O-CB 2.96Å; A978-W981 PolarHBondContact O-N 3.44Å; A978-E982 PolarHBondContact O-N 2.9Å |
| 979 | Q | 69.9 | Low | 66.9 | Low | 125 Ų | 125 | 78.8 Ų | 78.8 | 58% | 0.584 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -62.7 | -40.8 | 175.2 | -71.6 | 174.3 | -25.9 | 0 | 0 | 112.3 | K975 W981 E982 Y983 | K975-Q979 WeakPolarHBondContact O-CG 3.38Å; K975-Q979 PolarHBondContact O-N 2.98Å; Q979-W981 VanDerWaalsContact C-N 3.27Å; Q979-W981 PolarHBondContact O-N 3.47Å; Q979-E982 PolarHBondContact O-N 3.12Å; Q979-Y983 WeakPolarHBondContact O-CB 3.35Å; Q979-Y983 PolarHBondContact O-N 2.72Å |
| 980 | L | 69.6 | Low | 67.8 | Low | 94 Ų | 94 | 80.3 Ų | 80.3 | 49% | 0.492 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.3 | -29.6 | 172.7 | -74 | 168.7 | 0 | 0 | 0 | 112.6 | Q976 K977 A978 N984 | Q976-L980 HydrophobicContact CG-CD1 4.47Å; Q976-L980 WeakPolarHBondContact O-CB 3.49Å; Q976-L980 VanDerWaalsContact O-CG 3.28Å; Q976-L980 WeakPolarHBondContact O-CG 3.29Å; Q976-L980 PolarHBondContact O-N 2.89Å; K977-L980 PolarHBondContact O-N 3.37Å; A978-L980 PolarHBondContact O-N 3.1Å; L980-N984 WeakPolarHBondContact O-CB 3.24Å; L980-N984 PolarHBondContact O-N 3.22Å |
| 981 | W | 69.3 | Low | 68.6 | Low | 38 Ų | 38 | 78 Ų | 78 | 14% | 0.144 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -71.3 | -41.1 | 171.7 | -87 | 119.5 | 0 | 0 | 0 | 113 | R950 I953 K977 A978 Q979 N984 M985 | R950-W981 HydrophobicContact CB-CH2 4.15Å; R950-W981 HydrophobicContact CG-CH2 3.55Å; R950-W981 HydrophobicContact CG-CZ3 4.22Å; I953-W981 HydrophobicContact CB-CZ2 4.35Å; I953-W981 HydrophobicContact CD1-CD2 3.87Å; I953-W981 HydrophobicContact CD1-CE3 3.9Å; I953-W981 HydrophobicContact CD1-CG 4.47Å; I953-W981 HydrophobicContact CD1-CH2 4.13Å; I953-W981 HydrophobicContact CD1-CZ2 4.12Å; I953-W981 HydrophobicContact CD1-CZ3 4.04Å; I953-W981 HydrophobicContact CG2-CZ2 4.2Å; K977-W981 PolarHBondContact O-N 3.45Å; A978-W981 WeakPolarHBondContact O-CA 3.45Å; A978-W981 VanDerWaalsContact O-CB 3.31Å; A978-W981 WeakPolarHBondContact O-CB 2.96Å; A978-W981 PolarHBondContact O-N 3.44Å; Q979-W981 VanDerWaalsContact C-N 3.27Å; Q979-W981 PolarHBondContact O-N 3.47Å; W981-N984 WeakPolarHBondContact CZ3-ND2 3.44Å; W981-N984 PolarHBondContact O-N 3.41Å; W981-M985 WeakPolarHBondContact O-CB 3.46Å; W981-M985 PolarHBondContact O-N 3.49Å |
| 982 | E | 68.8 | Low | 69.3 | Low | 138 Ų | 138 | 77.1 Ų | 77.1 | 65% | 0.645 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -67.7 | -45.6 | -180 | -169.4 | 163.7 | -141.4 | 0 | 0 | 111.5 | A978 Q979 N984 M985 Q986 | A978-E982 PolarHBondContact O-N 2.9Å; Q979-E982 PolarHBondContact O-N 3.12Å; E982-N984 PolarHBondContact O-N 2.73Å; E982-M985 WeakPolarHBondContact O-CB 3.33Å; E982-M985 PolarHBondContact O-N 3.31Å; E982-M985 VanDerWaalsContact O-N 3.17Å; E982-Q986 PolarHBondContact O-N 3.49Å |
| 983 | Y | 71.9 | Confident | 69.6 | Low | 147 Ų | 147 | 75.8 Ų | 75.8 | 58% | 0.576 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -60.2 | -46 | 172.5 | -177.7 | -100.2 | 0 | 0 | 0 | 112.4 | Q979 M985 Q986 E987 | Q979-Y983 WeakPolarHBondContact O-CB 3.35Å; Q979-Y983 PolarHBondContact O-N 2.72Å; Y983-M985 VanDerWaalsContact C-N 3.29Å; Y983-M985 PolarHBondContact O-N 3.26Å; Y983-Q986 WeakPolarHBondContact O-CA 3.47Å; Y983-Q986 VanDerWaalsContact O-CB 3.3Å; Y983-Q986 WeakPolarHBondContact O-CB 3.48Å; Y983-Q986 PolarHBondContact O-N 2.99Å; Y983-Q986 VanDerWaalsContact O-N 3.13Å; Y983-E987 HydrophobicContact CD1-CG 4.43Å; Y983-E987 HydrophobicContact CE1-CG 4.06Å; Y983-E987 PolarHBondContact O-N 3.42Å |
| 984 | N | 69.7 | Low | 70 | Confident | 4 Ų | 4 | 76.8 Ų | 76.8 | 2% | 0.021 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.1 | -35.1 | 175.1 | 174.2 | 26 | 0 | 0 | 0 | 112.3 | K949 I953 L980 W981 E982 E987 L988 | K949-N984 WeakPolarHBondContact CD-OD1 3.2Å; I953-N984 HydrophobicContact CD1-CB 4.24Å; I953-N984 WeakPolarHBondContact CD1-ND2 3.44Å; L980-N984 WeakPolarHBondContact O-CB 3.24Å; L980-N984 PolarHBondContact O-N 3.22Å; W981-N984 WeakPolarHBondContact CZ3-ND2 3.44Å; W981-N984 PolarHBondContact O-N 3.41Å; E982-N984 PolarHBondContact O-N 2.73Å; N984-E987 PolarHBondContact O-N 3.04Å; N984-L988 WeakPolarHBondContact O-CB 3.39Å; N984-L988 PolarHBondContact O-N 3.08Å |
| 985 | M | 68.9 | Low | 70.6 | Confident | 30 Ų | 30 | 71.7 Ų | 71.7 | 15% | 0.148 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.8 | -39.3 | 173.5 | -177.1 | 52.6 | 45.8 | 0 | 0 | 111.6 | W981 E982 Y983 L988 L989 I1148 L1152 | W981-M985 WeakPolarHBondContact O-CB 3.46Å; W981-M985 PolarHBondContact O-N 3.49Å; E982-M985 WeakPolarHBondContact O-CB 3.33Å; E982-M985 PolarHBondContact O-N 3.31Å; E982-M985 VanDerWaalsContact O-N 3.17Å; Y983-M985 VanDerWaalsContact C-N 3.29Å; Y983-M985 PolarHBondContact O-N 3.26Å; M985-L988 PolarHBondContact O-N 3.06Å; M985-L989 HydrophobicContact CG-CD1 4.22Å; M985-L989 WeakPolarHBondContact O-CB 3.41Å; M985-L989 PolarHBondContact O-N 3.23Å; M985-I1148 HydrophobicContact SD-CG2 3.75Å; M985-L1152 HydrophobicContact CE-CD1 3.99Å; M985-L1152 HydrophobicContact CE-CD2 3.83Å; M985-L1152 HydrophobicContact CE-CG 3.63Å; M985-L1152 HydrophobicContact SD-CD1 4.38Å |
| 986 | Q | 69.1 | Low | 70.9 | Confident | 116 Ų | 116 | 65.5 Ų | 65.5 | 54% | 0.542 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.1 | -48.6 | 171.1 | -112.2 | 171.3 | -21.9 | 0 | 0 | 112.1 | E982 Y983 L988 L989 E990 | E982-Q986 PolarHBondContact O-N 3.49Å; Y983-Q986 WeakPolarHBondContact O-CA 3.47Å; Y983-Q986 VanDerWaalsContact O-CB 3.3Å; Y983-Q986 WeakPolarHBondContact O-CB 3.48Å; Y983-Q986 PolarHBondContact O-N 2.99Å; Y983-Q986 VanDerWaalsContact O-N 3.13Å; Q986-L988 VanDerWaalsContact C-N 3.28Å; Q986-L988 PolarHBondContact O-N 3.46Å; Q986-L989 WeakPolarHBondContact O-CB 3.43Å; Q986-L989 PolarHBondContact O-N 2.99Å; Q986-L989 VanDerWaalsContact O-N 3.15Å; Q986-E990 PolarHBondContact O-N 2.89Å |
| 987 | E | 73.6 | Confident | 71 | Confident | 69 Ų | 69 | 64.3 Ų | 64.3 | 32% | 0.322 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.5 | -33.6 | 175 | -65.7 | -176.8 | 93.7 | 0 | 0 | 112.9 | K949 Y983 N984 L991 | K949-E987 IonicContact NZ-OE1 3.8Å; K949-E987 PolarHBondContact NZ-OE1 3.17Å; K949-E987 IonicContact NZ-OE2 2.92Å; K949-E987 PolarHBondContact NZ-OE2 3.34Å; Y983-E987 HydrophobicContact CD1-CG 4.43Å; Y983-E987 HydrophobicContact CE1-CG 4.06Å; Y983-E987 PolarHBondContact O-N 3.42Å; N984-E987 PolarHBondContact O-N 3.04Å; E987-L991 VanDerWaalsContact O-CB 3.26Å; E987-L991 WeakPolarHBondContact O-CB 3.4Å; E987-L991 PolarHBondContact O-N 3.35Å |
| 988 | L | 71.4 | Confident | 71.2 | Confident | 9 Ų | 9 | 65.7 Ų | 65.7 | 5% | 0.047 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -73.4 | -33.3 | 175.6 | -89.2 | 158.5 | 0 | 0 | 0 | 112.5 | I942 N984 M985 Q986 R992 | I942-L988 HydrophobicContact CG2-CD2 4.42Å; N984-L988 WeakPolarHBondContact O-CB 3.39Å; N984-L988 PolarHBondContact O-N 3.08Å; M985-L988 PolarHBondContact O-N 3.06Å; Q986-L988 VanDerWaalsContact C-N 3.28Å; Q986-L988 PolarHBondContact O-N 3.46Å; L988-R992 WeakPolarHBondContact O-CB 3.46Å; L988-R992 PolarHBondContact O-N 3.41Å |
| 989 | L | 68.8 | Low | 71.4 | Confident | 45 Ų | 45 | 64 Ų | 64 | 24% | 0.236 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.4 | -50.8 | 169.8 | -87.5 | 153.2 | 0 | 0 | 0 | 110.9 | M985 Q986 L991 R992 Q993 I1148 | M985-L989 HydrophobicContact CG-CD1 4.22Å; M985-L989 WeakPolarHBondContact O-CB 3.41Å; M985-L989 PolarHBondContact O-N 3.23Å; Q986-L989 WeakPolarHBondContact O-CB 3.43Å; Q986-L989 PolarHBondContact O-N 2.99Å; Q986-L989 VanDerWaalsContact O-N 3.15Å; L989-L991 VanDerWaalsContact C-N 3.33Å; L989-L991 PolarHBondContact O-N 2.9Å; L989-R992 PolarHBondContact O-N 3.34Å; L989-Q993 WeakPolarHBondContact O-CB 3.44Å; L989-Q993 VanDerWaalsContact O-CG 3.3Å; L989-Q993 WeakPolarHBondContact O-CG 3.38Å; L989-Q993 PolarHBondContact O-N 3.23Å; L989-I1148 HydrophobicContact CD2-CD1 3.48Å; L989-I1148 VanDerWaalsContact CD2-CD1 3.48Å; L989-I1148 HydrophobicContact CG-CD1 4.17Å; L989-I1148 HydrophobicContact CG-CG2 4.33Å |
| 990 | E | 74.1 | Confident | 71.2 | Confident | 124 Ų | 124 | 61.8 Ų | 61.8 | 58% | 0.579 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -61.1 | -39.8 | 175.9 | -70.2 | 178 | -178 | 0 | 0 | 112 | Q986 Q993 S994 | Q986-E990 PolarHBondContact O-N 2.89Å; E990-Q993 PolarHBondContact O-N 3.19Å; E990-S994 WeakPolarHBondContact O-CB 3.4Å; E990-S994 PolarHBondContact O-N 2.94Å; E990-S994 PolarHBondContact O-OG 2.95Å; E990-S994 VanDerWaalsContact O-OG 3.06Å |
| 991 | L | 77.1 | Confident | 70.9 | Confident | 39 Ų | 39 | 61.3 Ų | 61.3 | 20% | 0.204 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65 | -42.2 | 174.5 | -177.5 | 60.6 | 0 | 0 | 0 | 112.1 | E945 E987 L989 S994 L995 | E945-L991 HydrophobicContact CB-CD2 4Å; E945-L991 HydrophobicContact CG-CD2 4.03Å; E987-L991 VanDerWaalsContact O-CB 3.26Å; E987-L991 WeakPolarHBondContact O-CB 3.4Å; E987-L991 PolarHBondContact O-N 3.35Å; L989-L991 VanDerWaalsContact C-N 3.33Å; L989-L991 PolarHBondContact O-N 2.9Å; L991-S994 PolarHBondContact O-OG 3.42Å; L991-L995 HydrophobicContact CD1-CD1 3.98Å; L991-L995 HydrophobicContact CD1-CG 4.27Å; L991-L995 HydrophobicContact CG-CD1 4.01Å; L991-L995 WeakPolarHBondContact O-CB 3.34Å; L991-L995 WeakPolarHBondContact O-CD1 3.38Å; L991-L995 WeakPolarHBondContact O-CG 3.46Å; L991-L995 PolarHBondContact O-N 2.97Å; L991-L995 VanDerWaalsContact O-N 3.07Å |
| 992 | R | 74.4 | Confident | 70.8 | Confident | 26 Ų | 26 | 61.9 Ų | 61.9 | 10% | 0.098 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.6 | -37 | 175.2 | -179.8 | 56.4 | 169.2 | 147.5 | -5 | 111.6 | I942 L988 L989 L995 Y996 E999 L1144 E1147 I1148 | I942-R992 HydrophobicContact CD1-CB 4.43Å; L988-R992 WeakPolarHBondContact O-CB 3.46Å; L988-R992 PolarHBondContact O-N 3.41Å; L989-R992 PolarHBondContact O-N 3.34Å; R992-L995 PolarHBondContact O-N 3.04Å; R992-Y996 WeakPolarHBondContact O-CB 3.33Å; R992-Y996 PolarHBondContact O-N 3.09Å; R992-E999 IonicContact NH1-OE1 3.5Å; R992-E999 PolarHBondContact NH1-OE1 3.12Å; R992-E999 IonicContact NH1-OE2 2.64Å; R992-E999 PolarHBondContact NH1-OE2 2.96Å; R992-L1144 HydrophobicContact CG-CD2 4.03Å; R992-L1144 HydrophobicContact CG-CG 4.26Å; R992-E1147 IonicContact CZ-OE2 3.6Å; R992-E1147 IonicContact NE-OE2 2.66Å; R992-E1147 PolarHBondContact NE-OE2 3.04Å; R992-E1147 IonicContact NH2-OE1 3.59Å; R992-E1147 IonicContact NH2-OE2 2.68Å; R992-E1147 PolarHBondContact NH2-OE2 3.17Å; R992-I1148 HydrophobicContact CB-CD1 3.74Å; R992-I1148 HydrophobicContact CB-CG1 4.2Å; R992-I1148 HydrophobicContact CG-CD1 3.64Å; R992-I1148 HydrophobicContact CG-CG1 3.91Å |
| 993 | Q | 67.9 | Low | 70.3 | Confident | 78 Ų | 78 | 57.7 Ų | 57.7 | 36% | 0.364 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.3 | -48.1 | 174.6 | -75.2 | 173.3 | -2 | 0 | 0 | 111.8 | L989 E990 L995 Y996 V997 | L989-Q993 WeakPolarHBondContact O-CB 3.44Å; L989-Q993 VanDerWaalsContact O-CG 3.3Å; L989-Q993 WeakPolarHBondContact O-CG 3.38Å; L989-Q993 PolarHBondContact O-N 3.23Å; E990-Q993 PolarHBondContact O-N 3.19Å; Q993-L995 VanDerWaalsContact C-N 3.35Å; Q993-L995 PolarHBondContact O-N 3.35Å; Q993-Y996 WeakPolarHBondContact O-CB 3.48Å; Q993-Y996 PolarHBondContact O-N 3.37Å; Q993-V997 WeakPolarHBondContact O-CG2 3.43Å; Q993-V997 PolarHBondContact O-N 3.23Å |
| 994 | S | 72.1 | Confident | 69.7 | Low | 66 Ų | 66 | 54.4 Ų | 54.4 | 46% | 0.462 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.9 | -38.6 | 177.1 | 58.1 | 0 | 0 | 0 | 0 | 112.8 | E990 L991 V997 Q998 | E990-S994 WeakPolarHBondContact O-CB 3.4Å; E990-S994 PolarHBondContact O-N 2.94Å; E990-S994 PolarHBondContact O-OG 2.95Å; E990-S994 VanDerWaalsContact O-OG 3.06Å; L991-S994 PolarHBondContact O-OG 3.42Å; S994-V997 PolarHBondContact O-N 2.98Å; S994-Q998 PolarHBondContact O-N 3.1Å |
| 995 | L | 77.3 | Confident | 69.1 | Low | 4 Ų | 4 | 57.5 Ų | 57.5 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -71.6 | -30.9 | 174.4 | -67.3 | 171.8 | 0 | 0 | 0 | 112.8 | N938 K941 I942 L991 R992 Q993 Q998 E999 | N938-L995 HydrophobicContact CB-CB 4.45Å; N938-L995 PolarHBondContact ND2-O 3.39Å; K941-L995 HydrophobicContact CD-CD1 4.11Å; K941-L995 HydrophobicContact CD-CD2 4.17Å; I942-L995 HydrophobicContact CD1-CD1 3.57Å; I942-L995 HydrophobicContact CG1-CD1 4.04Å; L991-L995 HydrophobicContact CD1-CD1 3.98Å; L991-L995 HydrophobicContact CD1-CG 4.27Å; L991-L995 HydrophobicContact CG-CD1 4.01Å; L991-L995 WeakPolarHBondContact O-CB 3.34Å; L991-L995 WeakPolarHBondContact O-CD1 3.38Å; L991-L995 WeakPolarHBondContact O-CG 3.46Å; L991-L995 PolarHBondContact O-N 2.97Å; L991-L995 VanDerWaalsContact O-N 3.07Å; R992-L995 PolarHBondContact O-N 3.04Å; Q993-L995 VanDerWaalsContact C-N 3.35Å; Q993-L995 PolarHBondContact O-N 3.35Å; L995-Q998 WeakPolarHBondContact O-CB 3.02Å; L995-Q998 PolarHBondContact O-N 2.96Å; L995-E999 WeakPolarHBondContact O-CG 3.35Å; L995-E999 PolarHBondContact O-N 2.97Å |
| 996 | Y | 71.8 | Confident | 68.6 | Low | 8 Ų | 8 | 57.4 Ų | 57.4 | 3% | 0.031 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69.2 | -39.6 | 171.5 | -178 | -100.7 | 0 | 0 | 0 | 111.9 | R992 Q993 Q998 E999 K1000 L1137 E1140 Y1141 L1144 | R992-Y996 WeakPolarHBondContact O-CB 3.33Å; R992-Y996 PolarHBondContact O-N 3.09Å; Q993-Y996 WeakPolarHBondContact O-CB 3.48Å; Q993-Y996 PolarHBondContact O-N 3.37Å; Y996-Q998 VanDerWaalsContact C-N 3.28Å; Y996-Q998 PolarHBondContact O-N 3.23Å; Y996-E999 PolarHBondContact O-N 3.26Å; Y996-K1000 WeakPolarHBondContact O-CB 3.29Å; Y996-K1000 PolarHBondContact O-N 3.05Å; Y996-L1137 HydrophobicContact CE1-CD2 4.2Å; Y996-L1137 WeakPolarHBondContact OH-CD2 3.1Å; Y996-L1137 PolarHBondContact OH-O 3.19Å; Y996-E1140 HydrophobicContact CE2-CB 4.3Å; Y996-E1140 WeakPolarHBondContact OH-CB 3.35Å; Y996-Y1141 AromaticContact CD1-CD2 3.96Å; Y996-Y1141 HydrophobicContact CD1-CD2 3.96Å; Y996-Y1141 AromaticContact CE1-CD2 3.67Å; Y996-Y1141 HydrophobicContact CE1-CD2 3.67Å; Y996-Y1141 HydrophobicContact CE1-CG 4.32Å; Y996-Y1141 PolarHBondContact OH-N 3.24Å; Y996-L1144 HydrophobicContact CD1-CD2 4.38Å; Y996-L1144 HydrophobicContact CD2-CD1 3.74Å; Y996-L1144 HydrophobicContact CD2-CD2 4.32Å; Y996-L1144 HydrophobicContact CE2-CD1 3.92Å; Y996-L1144 HydrophobicContact CG-CD1 4.23Å; Y996-L1144 HydrophobicContact CG-CD2 3.97Å |
| 997 | V | 70.3 | Confident | 67.8 | Low | 87 Ų | 87 | 55.4 Ų | 55.4 | 53% | 0.527 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.4 | -38.8 | 170.1 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | Q993 S994 K1000 Q1001 | Q993-V997 WeakPolarHBondContact O-CG2 3.43Å; Q993-V997 PolarHBondContact O-N 3.23Å; S994-V997 PolarHBondContact O-N 2.98Å; V997-K1000 PolarHBondContact O-N 3.2Å; V997-Q1001 VanDerWaalsContact O-CB 3.3Å; V997-Q1001 WeakPolarHBondContact O-CB 3.26Å; V997-Q1001 PolarHBondContact O-N 3.44Å |
| 998 | Q | 71.6 | Confident | 66.7 | Low | 96 Ų | 96 | 53.4 Ų | 53.4 | 45% | 0.449 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66.7 | -39.6 | 174.3 | -167.5 | 176.9 | 14.4 | 0 | 0 | 112.9 | S994 L995 Y996 Q1001 M1002 | S994-Q998 PolarHBondContact O-N 3.1Å; L995-Q998 WeakPolarHBondContact O-CB 3.02Å; L995-Q998 PolarHBondContact O-N 2.96Å; Y996-Q998 VanDerWaalsContact C-N 3.28Å; Y996-Q998 PolarHBondContact O-N 3.23Å; Q998-Q1001 PolarHBondContact O-N 2.81Å; Q998-M1002 PolarHBondContact O-N 2.99Å |
| 999 | E | 72.9 | Confident | 65.4 | Low | 2 Ų | 2 | 57.2 Ų | 57.2 | 1% | 0.009 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.6 | -50.4 | 171.5 | -78.1 | 163.8 | -136.3 | 0 | 0 | 111.1 | F931 L934 R935 N938 R992 L995 Y996 Q1001 M1002 Q1003 | F931-E999 HydrophobicContact CE2-CB 4.39Å; L934-E999 HydrophobicContact CD2-CG 4.09Å; L934-E999 HydrophobicContact CG-CG 4.39Å; R935-E999 HydrophobicContact CG-CG 4.18Å; R935-E999 WeakPolarHBondContact CG-OE2 3.29Å; R935-E999 IonicContact CZ-OE2 3.53Å; R935-E999 IonicContact NE-OE2 2.65Å; R935-E999 PolarHBondContact NE-OE2 3.23Å; R935-E999 IonicContact NH2-OE2 3.82Å; N938-E999 WeakPolarHBondContact CB-OE1 3.38Å; N938-E999 WeakPolarHBondContact ND2-CG 3.35Å; N938-E999 PolarHBondContact ND2-OE1 3.44Å; R992-E999 IonicContact NH1-OE1 3.5Å; R992-E999 PolarHBondContact NH1-OE1 3.12Å; R992-E999 IonicContact NH1-OE2 2.64Å; R992-E999 PolarHBondContact NH1-OE2 2.96Å; L995-E999 WeakPolarHBondContact O-CG 3.35Å; L995-E999 PolarHBondContact O-N 2.97Å; Y996-E999 PolarHBondContact O-N 3.26Å; E999-Q1001 VanDerWaalsContact C-N 3.32Å; E999-Q1001 PolarHBondContact O-N 3.18Å; E999-M1002 PolarHBondContact O-N 2.89Å; E999-Q1003 WeakPolarHBondContact O-CB 3.26Å; E999-Q1003 PolarHBondContact O-N 3.33Å |
| 1000 | K | 65.1 | Low | 64.4 | Low | 77 Ų | 77 | 55.6 Ų | 55.6 | 34% | 0.335 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -56.4 | -44 | 176 | -177.6 | 176.1 | -173.4 | 164.3 | 0 | 111.6 | Y996 V997 Q1003 L1004 L1137 | Y996-K1000 WeakPolarHBondContact O-CB 3.29Å; Y996-K1000 PolarHBondContact O-N 3.05Å; V997-K1000 PolarHBondContact O-N 3.2Å; K1000-Q1003 PolarHBondContact O-N 2.6Å; K1000-L1004 HydrophobicContact CG-CD1 3.99Å; K1000-L1004 HydrophobicContact CG-CG 4.49Å; K1000-L1004 WeakPolarHBondContact O-CB 3.23Å; K1000-L1004 VanDerWaalsContact O-CG 3.3Å; K1000-L1004 WeakPolarHBondContact O-CG 3.44Å; K1000-L1004 PolarHBondContact O-N 3.31Å; K1000-L1137 HydrophobicContact CB-CD2 4.34Å; K1000-L1137 HydrophobicContact CD-CD2 3.49Å; K1000-L1137 VanDerWaalsContact CD-CD2 3.49Å; K1000-L1137 HydrophobicContact CG-CD1 4.19Å; K1000-L1137 HydrophobicContact CG-CD2 3.79Å |
| 1001 | Q | 62.8 | Low | 62.9 | Low | 84 Ų | 84 | 53.4 Ų | 53.4 | 39% | 0.393 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.6 | -38.4 | -179 | -167.1 | 172.5 | 26 | 0 | 0 | 112.5 | V997 Q998 E999 Q1005 | V997-Q1001 VanDerWaalsContact O-CB 3.3Å; V997-Q1001 WeakPolarHBondContact O-CB 3.26Å; V997-Q1001 PolarHBondContact O-N 3.44Å; Q998-Q1001 PolarHBondContact O-N 2.81Å; E999-Q1001 VanDerWaalsContact C-N 3.32Å; E999-Q1001 PolarHBondContact O-N 3.18Å; Q1001-Q1005 WeakPolarHBondContact O-CB 3.33Å; Q1001-Q1005 VanDerWaalsContact O-CG 3.28Å; Q1001-Q1005 WeakPolarHBondContact O-CG 3.35Å; Q1001-Q1005 PolarHBondContact O-N 2.97Å |
| 1002 | M | 66.8 | Low | 61.3 | Low | 51 Ų | 51 | 54.1 Ų | 54.1 | 25% | 0.251 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -67.1 | -38.5 | 171.7 | 178.8 | 175.6 | -76.7 | 0 | 0 | 111.8 | L934 Q998 E999 Q1005 H1006 | L934-M1002 HydrophobicContact CB-CE 4.43Å; L934-M1002 HydrophobicContact CB-SD 3.85Å; L934-M1002 HydrophobicContact CD2-CB 3.94Å; L934-M1002 HydrophobicContact CD2-CE 3.9Å; L934-M1002 HydrophobicContact CD2-CG 4.34Å; L934-M1002 HydrophobicContact CD2-SD 3.54Å; L934-M1002 VanDerWaalsContact CD2-SD 3.54Å; L934-M1002 HydrophobicContact CG-SD 4.26Å; Q998-M1002 PolarHBondContact O-N 2.99Å; E999-M1002 PolarHBondContact O-N 2.89Å; M1002-Q1005 PolarHBondContact O-N 3.13Å; M1002-H1006 PolarHBondContact O-N 3.4Å |
| 1003 | Q | 59.8 | Low | 59.4 | Low | 49 Ų | 49 | 54.4 Ų | 54.4 | 23% | 0.229 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.9 | -45.7 | 179.2 | -164.9 | 167.7 | -10.2 | 0 | 0 | 111.2 | F931 E999 K1000 Q1005 H1006 Q1007 | F931-Q1003 HydrophobicContact CD2-CB 4.35Å; F931-Q1003 HydrophobicContact CE2-CB 3.85Å; F931-Q1003 HydrophobicContact CE2-CG 4.2Å; F931-Q1003 HydrophobicContact CZ-CB 4.46Å; F931-Q1003 HydrophobicContact CZ-CG 4.4Å; F931-Q1003 VanDerWaalsContact CZ-OE1 3.24Å; E999-Q1003 WeakPolarHBondContact O-CB 3.26Å; E999-Q1003 PolarHBondContact O-N 3.33Å; K1000-Q1003 PolarHBondContact O-N 2.6Å; Q1003-Q1005 VanDerWaalsContact C-N 3.35Å; Q1003-Q1005 PolarHBondContact O-N 3.5Å; Q1003-H1006 PolarHBondContact O-N 2.83Å; Q1003-Q1007 WeakPolarHBondContact O-CG 3.45Å; Q1003-Q1007 PolarHBondContact O-N 3.43Å; Q1003-Q1007 PolarHBondContact O-OE1 3.47Å |
| 1004 | L | 57.7 | Low | 57.6 | Low | 79 Ų | 79 | 54.6 Ų | 54.6 | 41% | 0.414 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.2 | -38.9 | 172.3 | -70.6 | 169.1 | 0 | 0 | 0 | 112.3 | K1000 Q1007 A1008 L1133 | K1000-L1004 HydrophobicContact CG-CD1 3.99Å; K1000-L1004 HydrophobicContact CG-CG 4.49Å; K1000-L1004 WeakPolarHBondContact O-CB 3.23Å; K1000-L1004 VanDerWaalsContact O-CG 3.3Å; K1000-L1004 WeakPolarHBondContact O-CG 3.44Å; K1000-L1004 PolarHBondContact O-N 3.31Å; L1004-Q1007 PolarHBondContact O-N 3.16Å; L1004-A1008 WeakPolarHBondContact O-CB 3.27Å; L1004-A1008 PolarHBondContact O-N 3.05Å; L1004-L1133 HydrophobicContact CD2-CD2 4.46Å |
| 1005 | Q | 57 | Low | 55.9 | Low | 69 Ų | 69 | 56.1 Ų | 56.1 | 32% | 0.322 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.4 | -48.7 | 174.2 | -79.1 | 170.4 | -11.3 | 0 | 0 | 112.2 | Q1001 M1002 Q1003 Q1007 A1008 E1009 | Q1001-Q1005 WeakPolarHBondContact O-CB 3.33Å; Q1001-Q1005 VanDerWaalsContact O-CG 3.28Å; Q1001-Q1005 WeakPolarHBondContact O-CG 3.35Å; Q1001-Q1005 PolarHBondContact O-N 2.97Å; M1002-Q1005 PolarHBondContact O-N 3.13Å; Q1003-Q1005 VanDerWaalsContact C-N 3.35Å; Q1003-Q1005 PolarHBondContact O-N 3.5Å; Q1005-Q1007 PolarHBondContact O-N 3.09Å; Q1005-A1008 PolarHBondContact O-N 3.37Å; Q1005-E1009 WeakPolarHBondContact O-CG 3.36Å; Q1005-E1009 PolarHBondContact O-N 3.3Å |
| 1006 | H | 60 | Low | 53.7 | Low | 28 Ų | 28 | 64 Ų | 64 | 13% | 0.13 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.9 | -27.4 | 176.5 | -68.8 | 165.4 | 0 | 0 | 0 | 113 | Q927 M1002 Q1003 E1009 G1010 | Q927-H1006 HydrophobicContact CB-CB 4.03Å; Q927-H1006 HydrophobicContact CG-CB 3.98Å; Q927-H1006 PolarHBondContact NE2-O 3.43Å; Q927-H1006 PolarHBondContact O-ND1 2.86Å; M1002-H1006 PolarHBondContact O-N 3.4Å; Q1003-H1006 PolarHBondContact O-N 2.83Å; H1006-E1009 IonicContact CD2-OE2 2.73Å; H1006-G1010 PolarHBondContact O-N 2.86Å |
| 1007 | Q | 50.8 | Low | 51.9 | Low | 74 Ų | 74 | 67.5 Ų | 67.5 | 35% | 0.346 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -76.4 | -40.6 | 173.8 | -72.6 | 171.5 | -70.1 | 0 | 0 | 112.1 | Q1003 L1004 Q1005 E1009 G1010 H1011 L1133 | Q1003-Q1007 WeakPolarHBondContact O-CG 3.45Å; Q1003-Q1007 PolarHBondContact O-N 3.43Å; Q1003-Q1007 PolarHBondContact O-OE1 3.47Å; L1004-Q1007 PolarHBondContact O-N 3.16Å; Q1005-Q1007 PolarHBondContact O-N 3.09Å; Q1007-E1009 VanDerWaalsContact C-N 3.32Å; Q1007-E1009 PolarHBondContact O-N 3.06Å; Q1007-G1010 WeakPolarHBondContact O-CA 3.35Å; Q1007-G1010 PolarHBondContact O-N 3.2Å; Q1007-H1011 PolarHBondContact O-N 2.98Å; Q1007-H1011 VanDerWaalsContact O-N 3.09Å; Q1007-L1133 VanDerWaalsContact NE2-CD2 3.29Å; Q1007-L1133 VanDerWaalsContact OE1-CD2 3.27Å |
| 1008 | A | 50.4 | Low | 50.2 | Low | 26 Ų | 26 | 70.9 Ų | 70.9 | 22% | 0.215 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.6 | -31.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1004 Q1005 G1010 | L1004-A1008 WeakPolarHBondContact O-CB 3.27Å; L1004-A1008 PolarHBondContact O-N 3.05Å; Q1005-A1008 PolarHBondContact O-N 3.37Å; A1008-G1010 VanDerWaalsContact C-N 3.27Å |
| 1009 | E | 45.8 | Very low | 48.5 | Very low | 90 Ų | 90 | 74.4 Ų | 74.4 | 42% | 0.421 | 39% | 0.394 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -18.5 | 167.5 | -76.4 | -175 | 156.6 | 0 | 0 | 113.5 | Q927 Q1005 H1006 Q1007 | Q927-E1009 PolarHBondContact NE2-OE2 3.09Å; Q1005-E1009 WeakPolarHBondContact O-CG 3.36Å; Q1005-E1009 PolarHBondContact O-N 3.3Å; H1006-E1009 IonicContact CD2-OE2 2.73Å; Q1007-E1009 VanDerWaalsContact C-N 3.32Å; Q1007-E1009 PolarHBondContact O-N 3.06Å |
| 1010 | G | 46 | Very low | 47.2 | Very low | 10 Ų | 10 | 83.5 Ų | 83.5 | 10% | 0.103 | 44% | 0.437 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | -12.2 | -162.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | H1006 Q1007 A1008 | H1006-G1010 PolarHBondContact O-N 2.86Å; Q1007-G1010 WeakPolarHBondContact O-CA 3.35Å; Q1007-G1010 PolarHBondContact O-N 3.2Å; A1008-G1010 VanDerWaalsContact C-N 3.27Å |
| 1011 | H | 42.8 | Very low | 46.1 | Very low | 79 Ų | 79 | 84.6 Ų | 84.6 | 37% | 0.366 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -155.2 | 156.7 | -173.3 | -94.9 | -73.2 | 0 | 0 | 0 | 112.5 | K924 Q1007 L1032 L1126 | K924-H1011 PolarHBondContact NZ-NE2 3.38Å; Q1007-H1011 PolarHBondContact O-N 2.98Å; Q1007-H1011 VanDerWaalsContact O-N 3.09Å; H1011-L1032 WeakPolarHBondContact O-CD2 3.33Å; H1011-L1126 HydrophobicContact CB-CD2 3.54Å |
| 1012 | F | 44.2 | Very low | 45.1 | Very low | 53 Ų | 53 | 83.7 Ų | 83.7 | 23% | 0.232 | 46% | 0.455 | C | S | . | . | trans | -114 | 99 | -150.7 | -71.1 | -96.4 | 0 | 0 | 0 | 115.9 | L1032 V1036 M1122 L1126 | F1012-L1032 HydrophobicContact CD1-CD1 3.94Å; F1012-L1032 HydrophobicContact CD1-CD2 3.72Å; F1012-L1032 HydrophobicContact CD1-CG 3.54Å; F1012-L1032 HydrophobicContact CE1-CD1 3.5Å; F1012-L1032 VanDerWaalsContact CE1-CD1 3.5Å; F1012-L1032 HydrophobicContact CE1-CD2 4.14Å; F1012-L1032 HydrophobicContact CE1-CG 3.65Å; F1012-L1032 HydrophobicContact CG-CD2 4.07Å; F1012-L1032 HydrophobicContact CG-CG 4.38Å; F1012-L1032 HydrophobicContact CZ-CD1 4.07Å; F1012-V1036 HydrophobicContact CD1-CG2 3.37Å; F1012-V1036 HydrophobicContact CE1-CG2 3.52Å; F1012-V1036 HydrophobicContact CG-CG2 4.5Å; F1012-M1122 HydrophobicContact CB-CE 3.7Å; F1012-M1122 HydrophobicContact CD2-CE 3.94Å; F1012-M1122 HydrophobicContact CG-CE 3.96Å; F1012-L1126 WeakPolarHBondContact O-CD1 3.04Å | ||
| 1013 | V | 33.5 | Very low | 43.8 | Very low | 33 Ų | 33 | 91.2 Ų | 91.2 | 20% | 0.2 | 49% | 0.486 | C | S | . | . | trans | 59.8 | 116.3 | 147 | -176.9 | 0 | 0 | 0 | 0 | 119.4 | K1033 | V1013-K1033 HydrophobicContact CG1-CD 4.36Å; V1013-K1033 HydrophobicContact CG1-CG 4.09Å; V1013-K1033 HydrophobicContact CG2-CG 3.78Å | ||
| 1014 | T | 31.8 | Very low | 42.7 | Very low | 81 Ų | 81 | 96.3 Ų | 96.3 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | trans | -158.5 | 149.2 | 130.1 | 11.4 | 0 | 0 | 0 | 0 | 109.8 | E1123 | T1014-E1123 HydrophobicContact CG2-CG 4.02Š| ||
| 1015 | D | 35.4 | Very low | 41.9 | Very low | 99 Ų | 99 | 95.3 Ų | 95.3 | 53% | 0.529 | 50% | 0.503 | S | S | . | . | trans | -103.5 | 140.1 | -178.2 | -66.3 | -89.7 | 0 | 0 | 0 | 111.8 | K1033 | D1015-K1033 IonicContact OD2-NZ 2.8Å; D1015-K1033 PolarHBondContact OD2-NZ 2.68Å | ||
| 1016 | L | 30.3 | Very low | 41.2 | Very low | 168 Ų | 168 | 99.7 Ų | 99.7 | 88% | 0.88 | 52% | 0.521 | S | S | * | . | -175.1 | 145.8 | 119.3 | -102.3 | 168 | 0 | 0 | 0 | 114.9 | |||||
| 1017 | A | 35.5 | Very low | 40.3 | Very low | 82 Ų | 82 | 103.9 Ų | 103.9 | 68% | 0.678 | 54% | 0.541 | S | S | * | . | trans | 59.1 | 129.3 | 153.3 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1018 | D | 34.9 | Very low | 39.8 | Very low | 158 Ų | 158 | 102.8 Ų | 102.8 | 85% | 0.845 | 54% | 0.535 | S | S | * | . | trans | 70.6 | 144.1 | 154.2 | -63.1 | -21.6 | 0 | 0 | 0 | 123 | ||||
| 1019 | L | 36 | Very low | 39.5 | Very low | 170 Ų | 170 | 103.5 Ų | 103.5 | 89% | 0.89 | 53% | 0.534 | S | S | * | . | trans | 66.9 | 129.9 | -178 | -57.6 | 171.4 | 0 | 0 | 0 | 116.3 | ||||
| 1020 | Q | 44.3 | Very low | 39.6 | Very low | 194 Ų | 194 | 105.1 Ų | 105.1 | 91% | 0.907 | 54% | 0.542 | S | S | * | . | trans | -72.4 | 136.6 | -172.4 | -61.8 | -176.9 | -1.7 | 0 | 0 | 112.6 | ||||
| 1021 | P | 43 | Very low | 39.6 | Very low | 100 Ų | 100 | 110.4 Ų | 110.4 | 65% | 0.649 | 56% | 0.562 | S | S | * | * | -148.1 | 124.9 | 118.9 | 32.7 | -15 | 0 | 0 | 0 | 116.2 | |||||
| 1022 | S | 40.1 | Very low | 39.7 | Very low | 65 Ų | 65 | 107.7 Ų | 107.7 | 46% | 0.455 | 55% | 0.55 | S | S | . | * | trans | 65.7 | 130.5 | 158.1 | 78.2 | 0 | 0 | 0 | 0 | 119.5 | R1024 | S1022-R1024 PolarHBondContact O-N 3.32Š| ||
| 1023 | K | 39.5 | Very low | 40 | Very low | 209 Ų | 209 | 109.2 Ų | 109.2 | 91% | 0.909 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.3 | -4.1 | -179.4 | -72 | -174 | 174.1 | -176.7 | 0 | 116 | ||
| 1024 | R | 37.8 | Very low | 40.9 | Very low | 156 Ų | 156 | 112.7 Ų | 112.7 | 59% | 0.589 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -87.3 | -40.2 | -172.3 | -167.5 | 170.8 | -177.9 | 151.2 | -0.5 | 113.4 | S1022 K1026 Q1027 E1028 | S1022-R1024 PolarHBondContact O-N 3.32Å; R1024-K1026 PolarHBondContact O-N 3.21Å; R1024-Q1027 PolarHBondContact O-N 2.89Å; R1024-Q1027 VanDerWaalsContact O-N 3.17Å; R1024-E1028 WeakPolarHBondContact CG-OE1 3.39Å; R1024-E1028 IonicContact CZ-OE1 2.78Å; R1024-E1028 IonicContact NE-OE1 3.23Å; R1024-E1028 PolarHBondContact NE-OE1 3.39Å; R1024-E1028 IonicContact NH2-OE1 2.65Å; R1024-E1028 PolarHBondContact O-N 3.26Å |
| 1025 | S | 40.9 | Very low | 41.8 | Very low | 57 Ų | 57 | 113.8 Ų | 113.8 | 40% | 0.399 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -54.5 | -48.7 | -177.4 | 174.6 | 0 | 0 | 0 | 0 | 112.7 | Q1027 E1028 H1029 | S1025-Q1027 VanDerWaalsContact C-N 3.32Å; S1025-Q1027 PolarHBondContact O-N 2.95Å; S1025-E1028 PolarHBondContact O-N 3.37Å; S1025-E1028 VanDerWaalsContact O-N 3.16Å; S1025-H1029 PolarHBondContact O-N 2.95Å |
| 1026 | K | 42.7 | Very low | 42.6 | Very low | 162 Ų | 162 | 111.2 Ų | 111.2 | 70% | 0.704 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -57.7 | -40.7 | 179.4 | -68.3 | -163.6 | 172.4 | -163.6 | 0 | 113.4 | R1024 E1028 H1029 E1030 | R1024-K1026 PolarHBondContact O-N 3.21Å; K1026-E1028 VanDerWaalsContact C-N 3.29Å; K1026-E1028 PolarHBondContact O-N 2.95Å; K1026-H1029 WeakPolarHBondContact O-CB 3.46Å; K1026-H1029 PolarHBondContact O-N 3.45Å; K1026-E1030 WeakPolarHBondContact O-CG 3.31Å; K1026-E1030 PolarHBondContact O-N 3.16Å |
| 1027 | Q | 40.6 | Very low | 43.7 | Very low | 116 Ų | 116 | 106.2 Ų | 106.2 | 54% | 0.542 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -73.8 | -20.7 | -177.1 | -163.1 | 178.5 | 41.4 | 0 | 0 | 113.2 | R1024 S1025 K1031 | R1024-Q1027 PolarHBondContact O-N 2.89Å; R1024-Q1027 VanDerWaalsContact O-N 3.17Å; S1025-Q1027 VanDerWaalsContact C-N 3.32Å; S1025-Q1027 PolarHBondContact O-N 2.95Å; Q1027-K1031 WeakPolarHBondContact O-CG 3.5Å |
| 1028 | E | 39.5 | Very low | 44.8 | Very low | 50 Ų | 50 | 107.3 Ų | 107.3 | 23% | 0.234 | 53% | 0.529 | C | S | . | . | H | α-helix | trans | -86.4 | -34.8 | 172.4 | -73.6 | 154.6 | -176.6 | 0 | 0 | 110 | R1024 S1025 K1026 K1031 L1032 | R1024-E1028 WeakPolarHBondContact CG-OE1 3.39Å; R1024-E1028 IonicContact CZ-OE1 2.78Å; R1024-E1028 IonicContact NE-OE1 3.23Å; R1024-E1028 PolarHBondContact NE-OE1 3.39Å; R1024-E1028 IonicContact NH2-OE1 2.65Å; R1024-E1028 PolarHBondContact O-N 3.26Å; S1025-E1028 PolarHBondContact O-N 3.37Å; S1025-E1028 VanDerWaalsContact O-N 3.16Å; K1026-E1028 VanDerWaalsContact C-N 3.29Å; K1026-E1028 PolarHBondContact O-N 2.95Å; E1028-K1031 PolarHBondContact O-N 2.92Å; E1028-L1032 PolarHBondContact O-N 3.36Å |
| 1029 | H | 45.4 | Very low | 46 | Very low | 41 Ų | 41 | 103.6 Ų | 103.6 | 19% | 0.19 | 50% | 0.504 | C | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 170.7 | -129.8 | 68.7 | 0 | 0 | 0 | 113.4 | S1025 K1026 K1031 L1032 K1033 | S1025-H1029 PolarHBondContact O-N 2.95Å; K1026-H1029 WeakPolarHBondContact O-CB 3.46Å; K1026-H1029 PolarHBondContact O-N 3.45Å; H1029-K1031 PolarHBondContact O-N 3.3Å; H1029-L1032 PolarHBondContact O-N 3.26Å; H1029-K1033 PolarHBondContact O-N 3.46Å |
| 1030 | E | 46.4 | Very low | 47.3 | Very low | 124 Ų | 124 | 98.8 Ų | 98.8 | 58% | 0.579 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -60.4 | -41.6 | 176.1 | -77 | 175.1 | 157.4 | 0 | 0 | 112.4 | K1026 L1032 K1033 L1034 | K1026-E1030 WeakPolarHBondContact O-CG 3.31Å; K1026-E1030 PolarHBondContact O-N 3.16Å; E1030-L1032 VanDerWaalsContact C-N 3.29Å; E1030-L1032 PolarHBondContact O-N 3.01Å; E1030-K1033 PolarHBondContact O-N 2.97Å; E1030-L1034 PolarHBondContact O-N 3.38Å |
| 1031 | K | 46.2 | Very low | 48.1 | Very low | 122 Ų | 122 | 95.3 Ų | 95.3 | 53% | 0.53 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.1 | -33.1 | 175.9 | -72.4 | 172.6 | -176.6 | 170.1 | 0 | 112.6 | Q1027 E1028 H1029 L1034 M1035 | Q1027-K1031 WeakPolarHBondContact O-CG 3.5Å; E1028-K1031 PolarHBondContact O-N 2.92Å; H1029-K1031 PolarHBondContact O-N 3.3Å; K1031-L1034 WeakPolarHBondContact O-CB 3.36Å; K1031-L1034 PolarHBondContact O-N 3.08Å; K1031-M1035 PolarHBondContact O-N 2.65Å |
| 1032 | L | 46.1 | Very low | 49.3 | Very low | 22 Ų | 22 | 94.9 Ų | 94.9 | 12% | 0.115 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -77 | -37.5 | 178.8 | -160.4 | 65.7 | 0 | 0 | 0 | 111.5 | H1011 F1012 E1028 H1029 E1030 L1034 M1035 V1036 | H1011-L1032 WeakPolarHBondContact O-CD2 3.33Å; F1012-L1032 HydrophobicContact CD1-CD1 3.94Å; F1012-L1032 HydrophobicContact CD1-CD2 3.72Å; F1012-L1032 HydrophobicContact CD1-CG 3.54Å; F1012-L1032 HydrophobicContact CE1-CD1 3.5Å; F1012-L1032 VanDerWaalsContact CE1-CD1 3.5Å; F1012-L1032 HydrophobicContact CE1-CD2 4.14Å; F1012-L1032 HydrophobicContact CE1-CG 3.65Å; F1012-L1032 HydrophobicContact CG-CD2 4.07Å; F1012-L1032 HydrophobicContact CG-CG 4.38Å; F1012-L1032 HydrophobicContact CZ-CD1 4.07Å; E1028-L1032 PolarHBondContact O-N 3.36Å; H1029-L1032 PolarHBondContact O-N 3.26Å; E1030-L1032 VanDerWaalsContact C-N 3.29Å; E1030-L1032 PolarHBondContact O-N 3.01Å; L1032-L1034 VanDerWaalsContact C-N 3.32Å; L1032-M1035 HydrophobicContact CD1-CE 4.1Å; L1032-M1035 PolarHBondContact O-N 2.76Å; L1032-V1036 WeakPolarHBondContact O-CG2 3.23Å; L1032-V1036 PolarHBondContact O-N 3.43Å |
| 1033 | K | 50.7 | Low | 50.6 | Low | 84 Ų | 84 | 92.8 Ų | 92.8 | 37% | 0.365 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -56 | -47.2 | 165.1 | -74.3 | -177.8 | 177.2 | 177.6 | 0 | 110.7 | V1013 D1015 H1029 E1030 M1035 V1036 T1037 | V1013-K1033 HydrophobicContact CG1-CD 4.36Å; V1013-K1033 HydrophobicContact CG1-CG 4.09Å; V1013-K1033 HydrophobicContact CG2-CG 3.78Å; D1015-K1033 IonicContact OD2-NZ 2.8Å; D1015-K1033 PolarHBondContact OD2-NZ 2.68Å; H1029-K1033 PolarHBondContact O-N 3.46Å; E1030-K1033 PolarHBondContact O-N 2.97Å; K1033-M1035 PolarHBondContact O-N 3.37Å; K1033-V1036 PolarHBondContact O-N 3.49Å; K1033-T1037 PolarHBondContact O-N 2.92Å; K1033-T1037 PolarHBondContact O-OG1 2.95Å |
| 1034 | L | 52.2 | Low | 51.9 | Low | 106 Ų | 106 | 86 Ų | 86 | 56% | 0.555 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -54.1 | -51.8 | 174.4 | -121.1 | 86.6 | 0 | 0 | 0 | 112.1 | E1030 K1031 L1032 V1036 T1037 E1038 | E1030-L1034 PolarHBondContact O-N 3.38Å; K1031-L1034 WeakPolarHBondContact O-CB 3.36Å; K1031-L1034 PolarHBondContact O-N 3.08Å; L1032-L1034 VanDerWaalsContact C-N 3.32Å; L1034-V1036 VanDerWaalsContact C-N 3.32Å; L1034-V1036 PolarHBondContact O-N 2.79Å; L1034-T1037 CarbonylContact O-C 3.54Å; L1034-T1037 WeakPolarHBondContact O-CA 3.3Å; L1034-T1037 WeakPolarHBondContact O-CB 3.39Å; L1034-T1037 PolarHBondContact O-N 3.32Å; L1034-T1037 VanDerWaalsContact O-N 3.09Å; L1034-E1038 WeakPolarHBondContact O-CB 3.18Å; L1034-E1038 WeakPolarHBondContact O-CG 3.48Å; L1034-E1038 PolarHBondContact O-N 2.84Å |
| 1035 | M | 49.7 | Very low | 53.6 | Low | 104 Ų | 104 | 84.6 Ų | 84.6 | 51% | 0.512 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.1 | -31.9 | -179.5 | -90.6 | -176.1 | -74.4 | 0 | 0 | 114 | K1031 L1032 K1033 Y1039 | K1031-M1035 PolarHBondContact O-N 2.65Å; L1032-M1035 HydrophobicContact CD1-CE 4.1Å; L1032-M1035 PolarHBondContact O-N 2.76Å; K1033-M1035 PolarHBondContact O-N 3.37Å; M1035-Y1039 WeakPolarHBondContact O-CB 3.41Å; M1035-Y1039 PolarHBondContact O-N 2.81Å |
| 1036 | V | 52.5 | Low | 55.2 | Low | 45 Ų | 45 | 87.4 Ų | 87.4 | 27% | 0.273 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -66.8 | -44.9 | 171.4 | 174.2 | 0 | 0 | 0 | 0 | 110.1 | F1012 L1032 K1033 L1034 Y1039 Q1040 | F1012-V1036 HydrophobicContact CD1-CG2 3.37Å; F1012-V1036 HydrophobicContact CE1-CG2 3.52Å; F1012-V1036 HydrophobicContact CG-CG2 4.5Å; L1032-V1036 WeakPolarHBondContact O-CG2 3.23Å; L1032-V1036 PolarHBondContact O-N 3.43Å; K1033-V1036 PolarHBondContact O-N 3.49Å; L1034-V1036 VanDerWaalsContact C-N 3.32Å; L1034-V1036 PolarHBondContact O-N 2.79Å; V1036-Y1039 PolarHBondContact O-N 2.81Å; V1036-Q1040 HydrophobicContact CG1-CG 4.36Å; V1036-Q1040 WeakPolarHBondContact O-CB 3.24Å; V1036-Q1040 VanDerWaalsContact O-CG 3.29Å; V1036-Q1040 WeakPolarHBondContact O-CG 3.32Å; V1036-Q1040 PolarHBondContact O-N 3.09Å |
| 1037 | T | 54.4 | Low | 56.7 | Low | 63 Ų | 63 | 80.3 Ų | 80.3 | 39% | 0.387 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62 | -48.1 | 176.3 | -53.2 | 0 | 0 | 0 | 0 | 111.3 | K1033 L1034 Y1039 Q1040 E1041 | K1033-T1037 PolarHBondContact O-N 2.92Å; K1033-T1037 PolarHBondContact O-OG1 2.95Å; L1034-T1037 CarbonylContact O-C 3.54Å; L1034-T1037 WeakPolarHBondContact O-CA 3.3Å; L1034-T1037 WeakPolarHBondContact O-CB 3.39Å; L1034-T1037 PolarHBondContact O-N 3.32Å; L1034-T1037 VanDerWaalsContact O-N 3.09Å; T1037-Y1039 VanDerWaalsContact C-N 3.27Å; T1037-Y1039 PolarHBondContact O-N 2.82Å; T1037-Q1040 CarbonylContact O-C 3.45Å; T1037-Q1040 PolarHBondContact O-N 2.86Å; T1037-Q1040 VanDerWaalsContact O-N 3.14Å; T1037-E1041 HydrophobicContact CG2-CG 4.38Å; T1037-E1041 WeakPolarHBondContact O-CB 3.25Å; T1037-E1041 VanDerWaalsContact O-CG 3.32Å; T1037-E1041 WeakPolarHBondContact O-CG 3.27Å; T1037-E1041 PolarHBondContact O-N 3.15Å |
| 1038 | E | 58 | Low | 58.2 | Low | 105 Ų | 105 | 78.2 Ų | 78.2 | 49% | 0.491 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -57.2 | -36.9 | 175.1 | -71.9 | 173.1 | 167.4 | 0 | 0 | 112.3 | L1034 L1042 | L1034-E1038 WeakPolarHBondContact O-CB 3.18Å; L1034-E1038 WeakPolarHBondContact O-CG 3.48Å; L1034-E1038 PolarHBondContact O-N 2.84Å; E1038-L1042 VanDerWaalsContact O-CB 3.28Å; E1038-L1042 WeakPolarHBondContact O-CB 3.48Å; E1038-L1042 PolarHBondContact O-N 2.74Å |
| 1039 | Y | 60.3 | Low | 59.8 | Low | 80 Ų | 80 | 79.1 Ų | 79.1 | 31% | 0.314 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -73.7 | -40.5 | 175.8 | -175.8 | -102.8 | 0 | 0 | 0 | 112.7 | M909 M1035 V1036 T1037 L1042 H1043 | M909-Y1039 WeakPolarHBondContact CE-OH 3.38Å; M909-Y1039 PolarHBondContact SD-OH 3.1Å; M909-Y1039 VanDerWaalsContact SD-OH 3.42Å; M1035-Y1039 WeakPolarHBondContact O-CB 3.41Å; M1035-Y1039 PolarHBondContact O-N 2.81Å; V1036-Y1039 PolarHBondContact O-N 2.81Å; T1037-Y1039 VanDerWaalsContact C-N 3.27Å; T1037-Y1039 PolarHBondContact O-N 2.82Å; Y1039-L1042 PolarHBondContact O-N 3.08Å; Y1039-H1043 PolarHBondContact O-N 3.01Å |
| 1040 | Q | 62.3 | Low | 61.3 | Low | 70 Ų | 70 | 78.7 Ų | 78.7 | 33% | 0.327 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.4 | -40.6 | 173.3 | -73.1 | 171.8 | -9.2 | 0 | 0 | 111.4 | V1036 T1037 H1043 T1044 | V1036-Q1040 HydrophobicContact CG1-CG 4.36Å; V1036-Q1040 WeakPolarHBondContact O-CB 3.24Å; V1036-Q1040 VanDerWaalsContact O-CG 3.29Å; V1036-Q1040 WeakPolarHBondContact O-CG 3.32Å; V1036-Q1040 PolarHBondContact O-N 3.09Å; T1037-Q1040 CarbonylContact O-C 3.45Å; T1037-Q1040 PolarHBondContact O-N 2.86Å; T1037-Q1040 VanDerWaalsContact O-N 3.14Å; Q1040-H1043 PolarHBondContact O-N 2.72Å; Q1040-T1044 VanDerWaalsContact O-CB 3.24Å; Q1040-T1044 WeakPolarHBondContact O-CB 3.11Å; Q1040-T1044 PolarHBondContact O-N 2.99Å; Q1040-T1044 PolarHBondContact O-OG1 2.93Å |
| 1041 | E | 62.9 | Low | 62.7 | Low | 121 Ų | 121 | 73.9 Ų | 73.9 | 57% | 0.565 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -61.5 | -46.6 | 171.1 | -76.6 | 177.3 | -173 | 0 | 0 | 111.1 | T1037 H1043 T1044 K1045 | T1037-E1041 HydrophobicContact CG2-CG 4.38Å; T1037-E1041 WeakPolarHBondContact O-CB 3.25Å; T1037-E1041 VanDerWaalsContact O-CG 3.32Å; T1037-E1041 WeakPolarHBondContact O-CG 3.27Å; T1037-E1041 PolarHBondContact O-N 3.15Å; E1041-H1043 VanDerWaalsContact C-N 3.31Å; E1041-H1043 PolarHBondContact O-N 3.45Å; E1041-T1044 PolarHBondContact O-N 3.41Å; E1041-K1045 WeakPolarHBondContact O-CB 3.5Å; E1041-K1045 PolarHBondContact O-N 2.93Å |
| 1042 | L | 66.6 | Low | 63.8 | Low | 91 Ų | 91 | 71.5 Ų | 71.5 | 48% | 0.476 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.3 | -38.6 | 177.4 | -177.5 | 64.3 | 0 | 0 | 0 | 112.2 | E1038 Y1039 K1046 | E1038-L1042 VanDerWaalsContact O-CB 3.28Å; E1038-L1042 WeakPolarHBondContact O-CB 3.48Å; E1038-L1042 PolarHBondContact O-N 2.74Å; Y1039-L1042 PolarHBondContact O-N 3.08Å; L1042-K1046 WeakPolarHBondContact O-CG 3.43Å; L1042-K1046 PolarHBondContact O-N 3.42Å |
| 1043 | H | 67.4 | Low | 65.3 | Low | 21 Ų | 21 | 76.9 Ų | 76.9 | 10% | 0.097 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -77.4 | -35.4 | 177.3 | -153.7 | -54.4 | 0 | 0 | 0 | 112.8 | Y1039 Q1040 E1041 K1045 K1046 L1047 F1111 | Y1039-H1043 PolarHBondContact O-N 3.01Å; Q1040-H1043 PolarHBondContact O-N 2.72Å; E1041-H1043 VanDerWaalsContact C-N 3.31Å; E1041-H1043 PolarHBondContact O-N 3.45Å; H1043-K1045 VanDerWaalsContact C-N 3.32Å; H1043-K1046 PolarHBondContact O-N 2.81Å; H1043-L1047 PolarHBondContact O-N 3.12Å; H1043-F1111 HydrophobicContact CB-CZ 4.39Å; H1043-F1111 AromaticContact CE1-CE2 3.58Å; H1043-F1111 AromaticContact CG-CZ 3.99Å; H1043-F1111 AromaticContact ND1-CE2 3.4Å; H1043-F1111 WeakPolarHBondContact ND1-CE2 3.36Å; H1043-F1111 AromaticContact ND1-CZ 3.38Å; H1043-F1111 WeakPolarHBondContact ND1-CZ 3.17Å |
| 1044 | T | 67 | Low | 66.7 | Low | 67 Ų | 67 | 73.2 Ų | 73.2 | 41% | 0.411 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.5 | -40.1 | 172.2 | -59.6 | 0 | 0 | 0 | 0 | 110.5 | Q1040 E1041 L1047 T1048 | Q1040-T1044 VanDerWaalsContact O-CB 3.24Å; Q1040-T1044 WeakPolarHBondContact O-CB 3.11Å; Q1040-T1044 PolarHBondContact O-N 2.99Å; Q1040-T1044 PolarHBondContact O-OG1 2.93Å; E1041-T1044 PolarHBondContact O-N 3.41Å; T1044-L1047 WeakPolarHBondContact O-CA 3.45Å; T1044-L1047 WeakPolarHBondContact O-CB 3.4Å; T1044-L1047 PolarHBondContact O-N 2.65Å; T1044-L1047 VanDerWaalsContact O-N 3.12Å; T1044-T1048 PolarHBondContact O-N 2.68Å; T1044-T1048 PolarHBondContact O-OG1 2.67Å |
| 1045 | K | 73.6 | Confident | 67.9 | Low | 125 Ų | 125 | 71.7 Ų | 71.7 | 54% | 0.543 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 173.1 | -175.4 | 171.8 | -178.3 | 173.5 | 0 | 111.9 | E1041 H1043 L1047 T1048 D1049 | E1041-K1045 WeakPolarHBondContact O-CB 3.5Å; E1041-K1045 PolarHBondContact O-N 2.93Å; H1043-K1045 VanDerWaalsContact C-N 3.32Å; K1045-L1047 VanDerWaalsContact C-N 3.3Å; K1045-L1047 PolarHBondContact O-N 3.16Å; K1045-T1048 WeakPolarHBondContact CA-OG1 3.5Å; K1045-T1048 PolarHBondContact O-N 2.94Å; K1045-T1048 PolarHBondContact O-OG1 3.39Å; K1045-D1049 VanDerWaalsContact O-CB 3.28Å; K1045-D1049 WeakPolarHBondContact O-CB 3.12Å; K1045-D1049 PolarHBondContact O-N 3.42Å |
| 1046 | K | 75 | Confident | 69 | Low | 116 Ų | 116 | 72.8 Ų | 72.8 | 50% | 0.504 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.1 | -38 | 171.3 | -76.2 | 177.7 | 179.6 | -179.8 | 0 | 112.6 | L1042 H1043 T1050 | L1042-K1046 WeakPolarHBondContact O-CG 3.43Å; L1042-K1046 PolarHBondContact O-N 3.42Å; H1043-K1046 PolarHBondContact O-N 2.81Å; K1046-T1050 WeakPolarHBondContact O-CB 3.24Å; K1046-T1050 PolarHBondContact O-N 2.99Å; K1046-T1050 PolarHBondContact O-OG1 3.03Å |
| 1047 | L | 74.6 | Confident | 70.2 | Confident | 13 Ų | 13 | 74.9 Ų | 74.9 | 7% | 0.068 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.7 | -44.8 | 175.1 | 179.5 | 63.8 | 0 | 0 | 0 | 111.2 | I906 H1043 T1044 K1045 T1050 C1051 F1111 | I906-L1047 HydrophobicContact CD1-CD1 3.77Å; H1043-L1047 PolarHBondContact O-N 3.12Å; T1044-L1047 WeakPolarHBondContact O-CA 3.45Å; T1044-L1047 WeakPolarHBondContact O-CB 3.4Å; T1044-L1047 PolarHBondContact O-N 2.65Å; T1044-L1047 VanDerWaalsContact O-N 3.12Å; K1045-L1047 VanDerWaalsContact C-N 3.3Å; K1045-L1047 PolarHBondContact O-N 3.16Å; L1047-T1050 PolarHBondContact O-N 3.09Å; L1047-C1051 PolarHBondContact O-N 3.34Å; L1047-C1051 PolarHBondContact O-SG 3.24Å; L1047-F1111 HydrophobicContact CD2-CD1 3.76Å; L1047-F1111 HydrophobicContact CD2-CE1 4.02Å; L1047-F1111 HydrophobicContact CD2-CG 4.22Å |
| 1048 | T | 71.1 | Confident | 71.3 | Confident | 72 Ų | 72 | 71.9 Ų | 71.9 | 44% | 0.442 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -68.5 | -37.6 | 176.4 | 54.1 | 0 | 0 | 0 | 0 | 113.1 | T1044 K1045 T1050 C1051 T1052 | T1044-T1048 PolarHBondContact O-N 2.68Å; T1044-T1048 PolarHBondContact O-OG1 2.67Å; K1045-T1048 WeakPolarHBondContact CA-OG1 3.5Å; K1045-T1048 PolarHBondContact O-N 2.94Å; K1045-T1048 PolarHBondContact O-OG1 3.39Å; T1048-T1050 VanDerWaalsContact C-N 3.26Å; T1048-T1050 PolarHBondContact O-N 3.47Å; T1048-C1051 PolarHBondContact O-N 3.18Å; T1048-T1052 WeakPolarHBondContact O-CB 3.36Å; T1048-T1052 WeakPolarHBondContact O-CG2 3.24Å; T1048-T1052 PolarHBondContact O-N 3.09Å; T1048-T1052 PolarHBondContact O-OG1 3.35Å |
| 1049 | D | 73.9 | Confident | 72 | Confident | 69 Ų | 69 | 71.7 Ų | 71.7 | 37% | 0.369 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64.8 | -32.7 | 175.4 | -70.5 | -10 | 0 | 0 | 0 | 111 | K1045 T1052 K1053 | K1045-D1049 VanDerWaalsContact O-CB 3.28Å; K1045-D1049 WeakPolarHBondContact O-CB 3.12Å; K1045-D1049 PolarHBondContact O-N 3.42Å; D1049-T1052 WeakPolarHBondContact CA-OG1 3.5Å; D1049-T1052 PolarHBondContact O-OG1 2.88Å; D1049-K1053 WeakPolarHBondContact O-CD 3.38Å; D1049-K1053 WeakPolarHBondContact O-CG 3.44Å; D1049-K1053 PolarHBondContact O-N 3.34Å |
| 1050 | T | 76.6 | Confident | 72.7 | Confident | 33 Ų | 33 | 73.8 Ų | 73.8 | 20% | 0.202 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -73.3 | -49.8 | 171.6 | -61.1 | 0 | 0 | 0 | 0 | 111.4 | I906 K1046 L1047 T1048 T1052 K1053 E1054 | I906-T1050 HydrophobicContact CD1-CG2 4.17Å; K1046-T1050 WeakPolarHBondContact O-CB 3.24Å; K1046-T1050 PolarHBondContact O-N 2.99Å; K1046-T1050 PolarHBondContact O-OG1 3.03Å; L1047-T1050 PolarHBondContact O-N 3.09Å; T1048-T1050 VanDerWaalsContact C-N 3.26Å; T1048-T1050 PolarHBondContact O-N 3.47Å; T1050-T1052 VanDerWaalsContact C-N 3.25Å; T1050-T1052 PolarHBondContact O-N 3.39Å; T1050-K1053 WeakPolarHBondContact O-CB 3.18Å; T1050-K1053 PolarHBondContact O-N 3.22Å; T1050-E1054 WeakPolarHBondContact O-CG 3.42Å; T1050-E1054 PolarHBondContact O-N 2.96Å |
| 1051 | C | 76.6 | Confident | 73.4 | Confident | 23 Ų | 23 | 73 Ų | 73 | 16% | 0.155 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58.5 | -35 | 178.3 | -67.3 | 0 | 0 | 0 | 0 | 113.1 | L1047 T1048 K1055 Q1104 R1107 | L1047-C1051 PolarHBondContact O-N 3.34Å; L1047-C1051 PolarHBondContact O-SG 3.24Å; T1048-C1051 PolarHBondContact O-N 3.18Å; C1051-K1055 WeakPolarHBondContact O-CB 3.4Å; C1051-K1055 PolarHBondContact O-N 2.94Å; C1051-K1055 VanDerWaalsContact O-N 3.08Å; C1051-Q1104 PolarHBondContact O-NE2 2.98Å; C1051-R1107 PolarHBondContact SG-NH2 3.14Å |
| 1052 | T | 69.4 | Low | 73.9 | Confident | 72 Ų | 72 | 67.9 Ų | 67.9 | 44% | 0.442 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -77.7 | -28.3 | 176.5 | 53.9 | 0 | 0 | 0 | 0 | 113.3 | T1048 D1049 T1050 K1056 | T1048-T1052 WeakPolarHBondContact O-CB 3.36Å; T1048-T1052 WeakPolarHBondContact O-CG2 3.24Å; T1048-T1052 PolarHBondContact O-N 3.09Å; T1048-T1052 PolarHBondContact O-OG1 3.35Å; D1049-T1052 WeakPolarHBondContact CA-OG1 3.5Å; D1049-T1052 PolarHBondContact O-OG1 2.88Å; T1050-T1052 VanDerWaalsContact C-N 3.25Å; T1050-T1052 PolarHBondContact O-N 3.39Å; T1052-K1056 VanDerWaalsContact O-CG 3.29Å; T1052-K1056 WeakPolarHBondContact O-CG 3.46Å; T1052-K1056 PolarHBondContact O-N 3.33Å; T1052-K1056 VanDerWaalsContact O-N 3.17Å |
| 1053 | K | 77.6 | Confident | 74.2 | Confident | 134 Ų | 134 | 67.2 Ų | 67.2 | 58% | 0.583 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -66.2 | -49.6 | 167.7 | -76 | 166.5 | -172.6 | 174.3 | 0 | 110.9 | D1049 T1050 K1055 K1056 E1057 | D1049-K1053 WeakPolarHBondContact O-CD 3.38Å; D1049-K1053 WeakPolarHBondContact O-CG 3.44Å; D1049-K1053 PolarHBondContact O-N 3.34Å; T1050-K1053 WeakPolarHBondContact O-CB 3.18Å; T1050-K1053 PolarHBondContact O-N 3.22Å; K1053-K1055 VanDerWaalsContact C-N 3.32Å; K1053-K1055 PolarHBondContact O-N 3.21Å; K1053-K1056 CarbonylContact O-C 3.51Å; K1053-K1056 WeakPolarHBondContact O-CA 3.43Å; K1053-K1056 WeakPolarHBondContact O-CB 3.28Å; K1053-K1056 PolarHBondContact O-N 2.97Å; K1053-E1057 PolarHBondContact O-N 3.14Å |
| 1054 | E | 80.1 | Confident | 74.6 | Confident | 7 Ų | 7 | 73.6 Ų | 73.6 | 3% | 0.033 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -54.9 | -45.4 | 176.4 | -67.8 | 166.1 | 174.6 | 0 | 0 | 112 | I902 T1050 K1056 E1057 I1058 L1100 Q1104 R1107 | I902-E1054 HydrophobicContact CG2-CB 4.11Å; I902-E1054 HydrophobicContact CG2-CG 4.08Å; T1050-E1054 WeakPolarHBondContact O-CG 3.42Å; T1050-E1054 PolarHBondContact O-N 2.96Å; E1054-K1056 VanDerWaalsContact C-N 3.33Å; E1054-K1056 PolarHBondContact O-N 3.23Å; E1054-E1057 WeakPolarHBondContact O-CB 3.41Å; E1054-E1057 PolarHBondContact O-N 3.2Å; E1054-I1058 PolarHBondContact O-N 2.88Å; E1054-L1100 HydrophobicContact CB-CD1 4.5Å; E1054-Q1104 PolarHBondContact OE2-NE2 3.4Å; E1054-R1107 VanDerWaalsContact CD-NH2 3.27Å; E1054-R1107 IonicContact OE1-CZ 3.51Å; E1054-R1107 VanDerWaalsContact OE1-CZ 3.3Å; E1054-R1107 IonicContact OE1-NH1 2.93Å; E1054-R1107 PolarHBondContact OE1-NH1 2.91Å; E1054-R1107 IonicContact OE1-NH2 2.85Å; E1054-R1107 PolarHBondContact OE1-NH2 3.3Å; E1054-R1107 IonicContact OE2-CZ 2.69Å; E1054-R1107 IonicContact OE2-NH1 3.1Å; E1054-R1107 IonicContact OE2-NH2 3.17Å; E1054-R1107 PolarHBondContact OE2-NH2 3.02Å |
| 1055 | K | 76.8 | Confident | 74.9 | Confident | 74 Ų | 74 | 73.8 Ų | 73.8 | 32% | 0.322 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.1 | -38.9 | 176.8 | -163.9 | 157.5 | -173.3 | 158.7 | 0 | 111.8 | C1051 K1053 Q1059 F1097 L1100 E1101 | C1051-K1055 WeakPolarHBondContact O-CB 3.4Å; C1051-K1055 PolarHBondContact O-N 2.94Å; C1051-K1055 VanDerWaalsContact O-N 3.08Å; K1053-K1055 VanDerWaalsContact C-N 3.32Å; K1053-K1055 PolarHBondContact O-N 3.21Å; K1055-Q1059 WeakPolarHBondContact O-CB 3.38Å; K1055-Q1059 WeakPolarHBondContact O-CG 3.4Å; K1055-Q1059 PolarHBondContact O-N 3.41Å; K1055-F1097 HydrophobicContact CG-CD1 4.47Å; K1055-F1097 HydrophobicContact CG-CE1 3.98Å; K1055-L1100 HydrophobicContact CB-CD2 4.35Å; K1055-L1100 HydrophobicContact CG-CD2 4.48Å; K1055-E1101 IonicContact NZ-OE1 3.38Å; K1055-E1101 PolarHBondContact NZ-OE1 2.92Å |
| 1056 | K | 72.1 | Confident | 75 | Confident | 128 Ų | 128 | 72.4 Ų | 72.4 | 56% | 0.557 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -70.9 | -34.4 | 174.4 | -73.6 | 171.5 | -179.8 | 177.4 | 0 | 113.3 | T1052 K1053 E1054 K1060 | T1052-K1056 VanDerWaalsContact O-CG 3.29Å; T1052-K1056 WeakPolarHBondContact O-CG 3.46Å; T1052-K1056 PolarHBondContact O-N 3.33Å; T1052-K1056 VanDerWaalsContact O-N 3.17Å; K1053-K1056 CarbonylContact O-C 3.51Å; K1053-K1056 WeakPolarHBondContact O-CA 3.43Å; K1053-K1056 WeakPolarHBondContact O-CB 3.28Å; K1053-K1056 PolarHBondContact O-N 2.97Å; E1054-K1056 VanDerWaalsContact C-N 3.33Å; E1054-K1056 PolarHBondContact O-N 3.23Å; K1056-K1060 WeakPolarHBondContact O-CG 3.38Å; K1056-K1060 PolarHBondContact O-N 2.84Å; K1056-K1060 VanDerWaalsContact O-N 3.1Å |
| 1057 | E | 77.2 | Confident | 74.8 | Confident | 89 Ų | 89 | 71.3 Ų | 71.3 | 42% | 0.416 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.3 | -50.2 | 175.2 | -146 | 66.7 | -114.1 | 0 | 0 | 110.1 | I902 K1053 E1054 Q1059 K1060 I1061 | I902-E1057 HydrophobicContact CG2-CB 4.34Å; K1053-E1057 PolarHBondContact O-N 3.14Å; E1054-E1057 WeakPolarHBondContact O-CB 3.41Å; E1054-E1057 PolarHBondContact O-N 3.2Å; E1057-Q1059 PolarHBondContact O-N 3.15Å; E1057-K1060 PolarHBondContact O-N 3.32Å; E1057-I1061 WeakPolarHBondContact O-CG1 3.44Å; E1057-I1061 PolarHBondContact O-N 2.89Å |
| 1058 | I | 78.4 | Confident | 74.8 | Confident | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.7 | -40.4 | 177.7 | -72.2 | 166.8 | 0 | 0 | 0 | 111.1 | F898 V899 I902 E1054 K1060 I1061 L1062 I1096 F1097 L1100 | F898-I1058 HydrophobicContact CE2-CG1 4.41Å; V899-I1058 HydrophobicContact CG1-CD1 4.34Å; I902-I1058 HydrophobicContact CD1-CD1 4.38Å; I902-I1058 HydrophobicContact CD1-CG1 3.69Å; I902-I1058 HydrophobicContact CG2-CD1 4.25Å; I902-I1058 HydrophobicContact CG2-CG1 4.3Å; E1054-I1058 PolarHBondContact O-N 2.88Å; I1058-K1060 PolarHBondContact O-N 3.01Å; I1058-I1061 PolarHBondContact O-N 3.42Å; I1058-L1062 HydrophobicContact CG2-CD1 3.65Å; I1058-L1062 HydrophobicContact CG2-CG 4.14Å; I1058-L1062 WeakPolarHBondContact O-CB 3.45Å; I1058-L1062 VanDerWaalsContact O-CG 3.26Å; I1058-L1062 WeakPolarHBondContact O-CG 3.29Å; I1058-L1062 PolarHBondContact O-N 3.35Å; I1058-I1096 HydrophobicContact CG2-CG2 3.92Å; I1058-F1097 HydrophobicContact CG2-CE1 3.85Å; I1058-F1097 HydrophobicContact CG2-CZ 4.16Å; I1058-L1100 HydrophobicContact CD1-CB 4.44Å; I1058-L1100 HydrophobicContact CD1-CD1 3.73Å; I1058-L1100 HydrophobicContact CD1-CD2 3.8Å; I1058-L1100 HydrophobicContact CD1-CG 4.19Å |
| 1059 | Q | 71.6 | Confident | 74.7 | Confident | 100 Ų | 100 | 77.1 Ų | 77.1 | 47% | 0.467 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -57.6 | -44.5 | 172.5 | -78.8 | 171.4 | -24.1 | 0 | 0 | 112.9 | K1055 E1057 I1061 L1062 E1063 F1097 | K1055-Q1059 WeakPolarHBondContact O-CB 3.38Å; K1055-Q1059 WeakPolarHBondContact O-CG 3.4Å; K1055-Q1059 PolarHBondContact O-N 3.41Å; E1057-Q1059 PolarHBondContact O-N 3.15Å; Q1059-I1061 PolarHBondContact O-N 3.49Å; Q1059-L1062 PolarHBondContact O-N 3.3Å; Q1059-E1063 WeakPolarHBondContact O-CB 3.26Å; Q1059-E1063 PolarHBondContact O-N 3.05Å; Q1059-F1097 HydrophobicContact CG-CE1 4.43Å; Q1059-F1097 HydrophobicContact CG-CZ 3.82Å |
| 1060 | K | 74.9 | Confident | 74.4 | Confident | 125 Ų | 125 | 76.3 Ų | 76.3 | 54% | 0.543 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.8 | -38.9 | 176.2 | -71 | 168.9 | -177.4 | 173.6 | 0 | 112.6 | K1056 E1057 I1058 K1064 | K1056-K1060 WeakPolarHBondContact O-CG 3.38Å; K1056-K1060 PolarHBondContact O-N 2.84Å; K1056-K1060 VanDerWaalsContact O-N 3.1Å; E1057-K1060 PolarHBondContact O-N 3.32Å; I1058-K1060 PolarHBondContact O-N 3.01Å; K1060-K1064 WeakPolarHBondContact O-CB 3.14Å; K1060-K1064 WeakPolarHBondContact O-CG 3.31Å; K1060-K1064 PolarHBondContact O-N 2.76Å; K1060-K1064 VanDerWaalsContact O-N 3.09Å |
| 1061 | I | 77.1 | Confident | 74.1 | Confident | 53 Ų | 53 | 78.4 Ų | 78.4 | 27% | 0.272 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -70.3 | -43.7 | 179.8 | -67.5 | 163.8 | 0 | 0 | 0 | 110.6 | F898 I902 E1057 I1058 Q1059 K1064 K1065 | F898-I1061 HydrophobicContact CD2-CG2 4.4Å; F898-I1061 HydrophobicContact CE2-CG2 4.17Å; I902-I1061 HydrophobicContact CD1-CD1 3.54Å; E1057-I1061 WeakPolarHBondContact O-CG1 3.44Å; E1057-I1061 PolarHBondContact O-N 2.89Å; I1058-I1061 PolarHBondContact O-N 3.42Å; Q1059-I1061 PolarHBondContact O-N 3.49Å; I1061-K1064 PolarHBondContact O-N 2.76Å; I1061-K1065 PolarHBondContact O-N 2.99Å |
| 1062 | L | 74.9 | Confident | 73.7 | Confident | 14 Ų | 14 | 81.8 Ų | 81.8 | 7% | 0.073 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.7 | -43.9 | 176.6 | -71.4 | 170.9 | 0 | 0 | 0 | 111.7 | I1058 Q1059 K1065 R1066 C1093 I1096 F1097 | I1058-L1062 HydrophobicContact CG2-CD1 3.65Å; I1058-L1062 HydrophobicContact CG2-CG 4.14Å; I1058-L1062 WeakPolarHBondContact O-CB 3.45Å; I1058-L1062 VanDerWaalsContact O-CG 3.26Å; I1058-L1062 WeakPolarHBondContact O-CG 3.29Å; I1058-L1062 PolarHBondContact O-N 3.35Å; Q1059-L1062 PolarHBondContact O-N 3.3Å; L1062-K1065 PolarHBondContact O-N 3.4Å; L1062-R1066 WeakPolarHBondContact O-CB 3.46Å; L1062-R1066 PolarHBondContact O-N 3.2Å; L1062-C1093 HydrophobicContact CD1-CB 4.41Å; L1062-I1096 HydrophobicContact CD1-CG2 4.34Å; L1062-I1096 HydrophobicContact CD2-CD1 3.77Å; L1062-F1097 HydrophobicContact CD1-CE2 3.78Å; L1062-F1097 HydrophobicContact CD1-CZ 3.76Å |
| 1063 | E | 71.6 | Confident | 73.4 | Confident | 77 Ų | 77 | 79.3 Ų | 79.3 | 36% | 0.36 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.5 | -38.4 | 177.3 | -175.7 | 60 | -168.1 | 0 | 0 | 112.1 | Q1059 R1066 I1067 | Q1059-E1063 WeakPolarHBondContact O-CB 3.26Å; Q1059-E1063 PolarHBondContact O-N 3.05Å; E1063-R1066 WeakPolarHBondContact O-CB 3.46Å; E1063-R1066 PolarHBondContact O-N 3.21Å; E1063-R1066 IonicContact OE1-CZ 3.8Å; E1063-R1066 IonicContact OE1-NE 2.66Å; E1063-R1066 PolarHBondContact OE1-NE 2.96Å; E1063-R1066 IonicContact OE1-NH2 3.24Å; E1063-R1066 PolarHBondContact OE1-NH2 3.41Å; E1063-R1066 IonicContact OE2-CZ 3.71Å; E1063-R1066 IonicContact OE2-NE 2.72Å; E1063-R1066 PolarHBondContact OE2-NE 2.88Å; E1063-R1066 IonicContact OE2-NH2 3.96Å; E1063-R1066 PolarHBondContact OE2-NH2 3.46Å; E1063-I1067 HydrophobicContact CG-CD1 4.1Å; E1063-I1067 WeakPolarHBondContact O-CG1 3.22Å; E1063-I1067 PolarHBondContact O-N 2.79Å |
| 1064 | K | 75.6 | Confident | 72.8 | Confident | 155 Ų | 155 | 80.4 Ų | 80.4 | 67% | 0.674 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -60 | -48.2 | 171.2 | -79.1 | -179.9 | 175.5 | -173.3 | 0 | 111.8 | K1060 I1061 R1066 I1067 Q1068 | K1060-K1064 WeakPolarHBondContact O-CB 3.14Å; K1060-K1064 WeakPolarHBondContact O-CG 3.31Å; K1060-K1064 PolarHBondContact O-N 2.76Å; K1060-K1064 VanDerWaalsContact O-N 3.09Å; I1061-K1064 PolarHBondContact O-N 2.76Å; K1064-R1066 VanDerWaalsContact C-N 3.32Å; K1064-R1066 PolarHBondContact O-N 3.45Å; K1064-I1067 PolarHBondContact O-N 3.42Å; K1064-Q1068 WeakPolarHBondContact O-CB 3.46Å; K1064-Q1068 PolarHBondContact O-N 3.24Å |
| 1065 | K | 73.7 | Confident | 72.2 | Confident | 71 Ų | 71 | 88.3 Ų | 88.3 | 31% | 0.309 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62 | -37.9 | 174.4 | -77.9 | -159.5 | 177.9 | -170.8 | 0 | 112 | E895 I1061 L1062 Q1068 N1069 | E895-K1065 IonicContact OE1-NZ 2.88Å; E895-K1065 PolarHBondContact OE1-NZ 3.28Å; I1061-K1065 PolarHBondContact O-N 2.99Å; L1062-K1065 PolarHBondContact O-N 3.4Å; K1065-Q1068 PolarHBondContact O-N 3.06Å; K1065-N1069 VanDerWaalsContact O-CB 3.25Å; K1065-N1069 WeakPolarHBondContact O-CB 3.27Å; K1065-N1069 PolarHBondContact O-N 3.12Å; K1065-N1069 PolarHBondContact O-OD1 3.41Å |
| 1066 | R | 76.3 | Confident | 71.6 | Confident | 95 Ų | 95 | 92.4 Ų | 92.4 | 36% | 0.358 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59.2 | -50.5 | 176.4 | -165.5 | 177.5 | 73.9 | 117.9 | -3.5 | 111.1 | L1062 E1063 K1064 L1070 H1089 | L1062-R1066 WeakPolarHBondContact O-CB 3.46Å; L1062-R1066 PolarHBondContact O-N 3.2Å; E1063-R1066 WeakPolarHBondContact O-CB 3.46Å; E1063-R1066 PolarHBondContact O-N 3.21Å; E1063-R1066 IonicContact OE1-CZ 3.8Å; E1063-R1066 IonicContact OE1-NE 2.66Å; E1063-R1066 PolarHBondContact OE1-NE 2.96Å; E1063-R1066 IonicContact OE1-NH2 3.24Å; E1063-R1066 PolarHBondContact OE1-NH2 3.41Å; E1063-R1066 IonicContact OE2-CZ 3.71Å; E1063-R1066 IonicContact OE2-NE 2.72Å; E1063-R1066 PolarHBondContact OE2-NE 2.88Å; E1063-R1066 IonicContact OE2-NH2 3.96Å; E1063-R1066 PolarHBondContact OE2-NH2 3.46Å; K1064-R1066 VanDerWaalsContact C-N 3.32Å; K1064-R1066 PolarHBondContact O-N 3.45Å; R1066-L1070 WeakPolarHBondContact O-CB 3.25Å; R1066-L1070 PolarHBondContact O-N 2.86Å; R1066-H1089 VanDerWaalsContact CD-CD2 3.43Å; R1066-H1089 WeakPolarHBondContact CD-CD2 3.37Å; R1066-H1089 VanDerWaalsContact CD-NE2 3.28Å; R1066-H1089 WeakPolarHBondContact CD-NE2 3.29Å; R1066-H1089 WeakPolarHBondContact CG-NE2 3.43Å |
| 1067 | I | 71.6 | Confident | 70.7 | Confident | 93 Ų | 93 | 90.2 Ų | 90.2 | 48% | 0.477 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.4 | -46.1 | 178.6 | -66.5 | 165.2 | 0 | 0 | 0 | 110.8 | E1063 K1064 L1070 V1071 | E1063-I1067 HydrophobicContact CG-CD1 4.1Å; E1063-I1067 WeakPolarHBondContact O-CG1 3.22Å; E1063-I1067 PolarHBondContact O-N 2.79Å; K1064-I1067 PolarHBondContact O-N 3.42Å; I1067-L1070 PolarHBondContact O-N 2.87Å; I1067-V1071 WeakPolarHBondContact O-CG2 3.48Å; I1067-V1071 PolarHBondContact O-N 3.42Å |
| 1068 | Q | 73.4 | Confident | 69.5 | Low | 128 Ų | 128 | 91.2 Ų | 91.2 | 60% | 0.598 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -63.5 | -47 | -179.3 | -170.8 | 168.9 | -3.8 | 0 | 0 | 112 | K1064 K1065 L1070 V1071 E1072 | K1064-Q1068 WeakPolarHBondContact O-CB 3.46Å; K1064-Q1068 PolarHBondContact O-N 3.24Å; K1065-Q1068 PolarHBondContact O-N 3.06Å; Q1068-L1070 VanDerWaalsContact C-N 3.34Å; Q1068-L1070 PolarHBondContact O-N 3.36Å; Q1068-V1071 PolarHBondContact O-N 3.24Å; Q1068-E1072 PolarHBondContact O-N 2.98Å |
| 1069 | N | 68.8 | Low | 68.4 | Low | 79 Ų | 79 | 97.6 Ų | 97.6 | 42% | 0.422 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.8 | -34.1 | 177.5 | -67.9 | 1.8 | 0 | 0 | 0 | 112.1 | K1065 V1071 E1072 A1073 F1085 | K1065-N1069 VanDerWaalsContact O-CB 3.25Å; K1065-N1069 WeakPolarHBondContact O-CB 3.27Å; K1065-N1069 PolarHBondContact O-N 3.12Å; K1065-N1069 PolarHBondContact O-OD1 3.41Å; N1069-V1071 VanDerWaalsContact C-N 3.33Å; N1069-E1072 PolarHBondContact O-N 3.29Å; N1069-A1073 VanDerWaalsContact O-CB 3.28Å; N1069-A1073 WeakPolarHBondContact O-CB 3.28Å; N1069-A1073 PolarHBondContact O-N 2.93Å; N1069-F1085 HydrophobicContact CB-CE2 4.15Å; N1069-F1085 HydrophobicContact CB-CZ 3.97Å |
| 1070 | L | 67.9 | Low | 67.7 | Low | 52 Ų | 52 | 97.3 Ų | 97.3 | 27% | 0.272 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65 | -36.4 | 173.7 | -169.8 | 84.5 | 0 | 0 | 0 | 111.9 | R1066 I1067 Q1068 K1074 L1082 F1085 | R1066-L1070 WeakPolarHBondContact O-CB 3.25Å; R1066-L1070 PolarHBondContact O-N 2.86Å; I1067-L1070 PolarHBondContact O-N 2.87Å; Q1068-L1070 VanDerWaalsContact C-N 3.34Å; Q1068-L1070 PolarHBondContact O-N 3.36Å; L1070-K1074 WeakPolarHBondContact O-CB 3.44Å; L1070-K1074 VanDerWaalsContact O-CG 3.29Å; L1070-K1074 WeakPolarHBondContact O-CG 3.49Å; L1070-K1074 PolarHBondContact O-N 3.49Å; L1070-L1082 HydrophobicContact CD1-CD1 3.67Å; L1070-F1085 HydrophobicContact CD1-CD1 4.43Å; L1070-F1085 HydrophobicContact CD1-CE1 4.07Å |
| 1071 | V | 70.8 | Confident | 67 | Low | 77 Ų | 77 | 98.4 Ų | 98.4 | 47% | 0.467 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -72.7 | -36.8 | 175.8 | 171.9 | 0 | 0 | 0 | 0 | 111.7 | I1067 Q1068 N1069 K1075 | I1067-V1071 WeakPolarHBondContact O-CG2 3.48Å; I1067-V1071 PolarHBondContact O-N 3.42Å; Q1068-V1071 PolarHBondContact O-N 3.24Å; N1069-V1071 VanDerWaalsContact C-N 3.33Å; V1071-K1075 WeakPolarHBondContact O-CG 3.46Å |
| 1072 | E | 67.8 | Low | 66.1 | Low | 95 Ų | 95 | 100.1 Ų | 100.1 | 44% | 0.444 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.7 | -43.3 | 173.2 | -76 | -141.8 | 171 | 0 | 0 | 113.3 | Q1068 N1069 K1074 K1075 K1076 | Q1068-E1072 PolarHBondContact O-N 2.98Å; N1069-E1072 PolarHBondContact O-N 3.29Å; E1072-K1074 VanDerWaalsContact C-N 3.32Å; E1072-K1074 PolarHBondContact O-N 3.16Å; E1072-K1075 WeakPolarHBondContact O-CB 3.5Å; E1072-K1075 PolarHBondContact O-N 3.45Å; E1072-K1076 PolarHBondContact O-N 2.83Å; E1072-K1076 IonicContact OE2-NZ 2.69Å; E1072-K1076 PolarHBondContact OE2-NZ 3.3Å |
| 1073 | A | 64 | Low | 64.9 | Low | 20 Ų | 20 | 102.5 Ų | 102.5 | 17% | 0.165 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -55.9 | -49 | 178 | 0 | 0 | 0 | 0 | 0 | 110.8 | N1069 K1075 K1076 D1077 L1080 | N1069-A1073 VanDerWaalsContact O-CB 3.28Å; N1069-A1073 WeakPolarHBondContact O-CB 3.28Å; N1069-A1073 PolarHBondContact O-N 2.93Å; A1073-K1075 PolarHBondContact O-N 2.68Å; A1073-K1075 VanDerWaalsContact O-N 3.08Å; A1073-K1076 PolarHBondContact O-N 2.75Å; A1073-D1077 PolarHBondContact O-N 3.42Å; A1073-D1077 VanDerWaalsContact O-N 3.12Å; A1073-L1080 HydrophobicContact CB-CD1 3.86Å |
| 1074 | K | 63.9 | Low | 64.3 | Low | 156 Ų | 156 | 102 Ų | 102 | 68% | 0.678 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.1 | -10.4 | 175.6 | -73.4 | 176.9 | 176.7 | -178.8 | 0 | 115.3 | L1070 E1072 | L1070-K1074 WeakPolarHBondContact O-CB 3.44Å; L1070-K1074 VanDerWaalsContact O-CG 3.29Å; L1070-K1074 WeakPolarHBondContact O-CG 3.49Å; L1070-K1074 PolarHBondContact O-N 3.49Å; E1072-K1074 VanDerWaalsContact C-N 3.32Å; E1072-K1074 PolarHBondContact O-N 3.16Å |
| 1075 | K | 67.9 | Low | 64 | Low | 174 Ų | 174 | 96.9 Ų | 96.9 | 76% | 0.757 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -98.9 | -14.9 | 173.4 | -77.4 | -178.1 | 173.8 | -175.1 | 0 | 113.5 | V1071 E1072 A1073 | V1071-K1075 WeakPolarHBondContact O-CG 3.46Å; E1072-K1075 WeakPolarHBondContact O-CB 3.5Å; E1072-K1075 PolarHBondContact O-N 3.45Å; A1073-K1075 PolarHBondContact O-N 2.68Å; A1073-K1075 VanDerWaalsContact O-N 3.08Å |
| 1076 | K | 63.1 | Low | 63.3 | Low | 160 Ų | 160 | 95.8 Ų | 95.8 | 70% | 0.696 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -110.3 | -24.3 | -172.9 | -74.9 | 171.3 | 176.6 | 162.5 | 0 | 113.6 | E1072 A1073 | E1072-K1076 PolarHBondContact O-N 2.83Å; E1072-K1076 IonicContact OE2-NZ 2.69Å; E1072-K1076 PolarHBondContact OE2-NZ 3.3Å; A1073-K1076 PolarHBondContact O-N 2.75Å |
| 1077 | D | 54.4 | Low | 62.7 | Low | 81 Ų | 81 | 97 Ų | 97 | 43% | 0.433 | 49% | 0.49 | S | S | . | . | trans | -153 | 140 | -179 | -166.2 | -20 | 0 | 0 | 0 | 110.2 | A1073 D1079 L1080 | A1073-D1077 PolarHBondContact O-N 3.42Å; A1073-D1077 VanDerWaalsContact O-N 3.12Å; D1077-D1079 PolarHBondContact OD1-N 3.27Å; D1077-L1080 HydrophobicContact CB-CB 4.49Å; D1077-L1080 HydrophobicContact CB-CD1 3.83Å; D1077-L1080 HydrophobicContact CB-CG 3.83Å | ||
| 1078 | S | 52.5 | Low | 62.7 | Low | 111 Ų | 111 | 99.2 Ų | 99.2 | 78% | 0.776 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -85.7 | -27.7 | 176.8 | 58.1 | 0 | 0 | 0 | 0 | 113.2 | ||
| 1079 | D | 54.5 | Low | 62.6 | Low | 133 Ų | 133 | 94.4 Ų | 94.4 | 71% | 0.711 | 47% | 0.474 | S | S | * | . | trans | -109.5 | 9.8 | -163.3 | -66 | 6.8 | 0 | 0 | 0 | 112.5 | D1077 K1081 | D1077-D1079 PolarHBondContact OD1-N 3.27Å; D1079-K1081 PolarHBondContact O-N 3.41Å | ||
| 1080 | L | 57.9 | Low | 62.5 | Low | 94 Ų | 94 | 95.5 Ų | 95.5 | 49% | 0.492 | 48% | 0.479 | S | S | . | . | trans | -57.2 | 110.2 | 177.9 | -97.8 | 173.9 | 0 | 0 | 0 | 112.1 | A1073 D1077 L1082 | A1073-L1080 HydrophobicContact CB-CD1 3.86Å; D1077-L1080 HydrophobicContact CB-CB 4.49Å; D1077-L1080 HydrophobicContact CB-CD1 3.83Å; D1077-L1080 HydrophobicContact CB-CG 3.83Å; L1080-L1082 PolarHBondContact O-N 3.01Å | ||
| 1081 | K | 59 | Low | 62.5 | Low | 148 Ų | 148 | 98 Ų | 98 | 64% | 0.643 | 49% | 0.493 | S | S | * | . | trans | -59.1 | 102.1 | 177.2 | -69.3 | -177.3 | -179.8 | 177 | 0 | 111.3 | D1079 S1083 D1084 F1085 | D1079-K1081 PolarHBondContact O-N 3.41Å; K1081-S1083 PolarHBondContact O-N 3.28Å; K1081-S1083 VanDerWaalsContact O-N 3.1Å; K1081-D1084 HydrophobicContact CB-CB 4.46Å; K1081-D1084 WeakPolarHBondContact CB-OD2 3.34Å; K1081-D1084 PolarHBondContact O-N 2.71Å; K1081-F1085 PolarHBondContact O-N 2.99Å | ||
| 1082 | L | 57.9 | Low | 62.6 | Low | 90 Ų | 90 | 97.6 Ų | 97.6 | 47% | 0.471 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.3 | -26.7 | -179.1 | -174 | 62.7 | 0 | 0 | 0 | 112.9 | L1070 L1080 D1084 F1085 N1086 | L1070-L1082 HydrophobicContact CD1-CD1 3.67Å; L1080-L1082 PolarHBondContact O-N 3.01Å; L1082-D1084 VanDerWaalsContact C-N 3.27Å; L1082-D1084 PolarHBondContact O-N 3.32Å; L1082-F1085 HydrophobicContact CD1-CD1 4.09Å; L1082-N1086 VanDerWaalsContact O-CB 3.24Å; L1082-N1086 WeakPolarHBondContact O-CB 3.47Å; L1082-N1086 PolarHBondContact O-N 3.41Å; L1082-N1086 PolarHBondContact O-ND2 3.07Å |
| 1083 | S | 49.3 | Very low | 62.8 | Low | 64 Ų | 64 | 94 Ų | 94 | 45% | 0.448 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -57 | -40.1 | 171.1 | 53.7 | 0 | 0 | 0 | 0 | 112.6 | K1081 K1087 | K1081-S1083 PolarHBondContact O-N 3.28Å; K1081-S1083 VanDerWaalsContact O-N 3.1Å; S1083-K1087 VanDerWaalsContact O-CG 3.25Å; S1083-K1087 WeakPolarHBondContact O-CG 3.39Å; S1083-K1087 PolarHBondContact O-N 3.41Å |
| 1084 | D | 59.1 | Low | 63.1 | Low | 66 Ų | 66 | 95.9 Ų | 95.9 | 35% | 0.353 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -91.9 | -29.8 | -170.4 | -53.7 | -34.1 | 0 | 0 | 0 | 110.8 | K1081 L1082 K1087 K1088 | K1081-D1084 HydrophobicContact CB-CB 4.46Å; K1081-D1084 WeakPolarHBondContact CB-OD2 3.34Å; K1081-D1084 PolarHBondContact O-N 2.71Å; L1082-D1084 VanDerWaalsContact C-N 3.27Å; L1082-D1084 PolarHBondContact O-N 3.32Å; D1084-K1087 WeakPolarHBondContact OD1-CE 3.5Å; D1084-K1087 IonicContact OD1-NZ 3.83Å; D1084-K1087 PolarHBondContact OD1-NZ 2.87Å; D1084-K1088 WeakPolarHBondContact O-CB 3.5Å; D1084-K1088 PolarHBondContact O-N 3.11Å |
| 1085 | F | 69.2 | Low | 63.6 | Low | 47 Ų | 47 | 95.1 Ų | 95.1 | 21% | 0.206 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -58.5 | -46.9 | 160.2 | 179.5 | -91 | 0 | 0 | 0 | 111.6 | N1069 L1070 K1081 L1082 K1088 H1089 | N1069-F1085 HydrophobicContact CB-CE2 4.15Å; N1069-F1085 HydrophobicContact CB-CZ 3.97Å; L1070-F1085 HydrophobicContact CD1-CD1 4.43Å; L1070-F1085 HydrophobicContact CD1-CE1 4.07Å; K1081-F1085 PolarHBondContact O-N 2.99Å; L1082-F1085 HydrophobicContact CD1-CD1 4.09Å; F1085-K1088 PolarHBondContact O-N 2.92Å; F1085-H1089 WeakPolarHBondContact O-CB 3.5Å; F1085-H1089 PolarHBondContact O-N 3.3Å |
| 1086 | N | 59.5 | Low | 64.1 | Low | 49 Ų | 49 | 88.6 Ų | 88.6 | 26% | 0.262 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.9 | -43.8 | 178.2 | -75.9 | -18.5 | 0 | 0 | 0 | 112 | L1082 K1088 H1089 I1090 | L1082-N1086 VanDerWaalsContact O-CB 3.24Å; L1082-N1086 WeakPolarHBondContact O-CB 3.47Å; L1082-N1086 PolarHBondContact O-N 3.41Å; L1082-N1086 PolarHBondContact O-ND2 3.07Å; N1086-K1088 VanDerWaalsContact C-N 3.34Å; N1086-K1088 PolarHBondContact O-N 2.6Å; N1086-H1089 PolarHBondContact O-N 3.21Å; N1086-I1090 WeakPolarHBondContact O-CB 3.01Å; N1086-I1090 WeakPolarHBondContact O-CD1 3.3Å; N1086-I1090 WeakPolarHBondContact O-CG1 3.14Å; N1086-I1090 PolarHBondContact O-N 3.49Å |
| 1087 | K | 64.1 | Low | 64.8 | Low | 120 Ų | 120 | 82.9 Ų | 82.9 | 52% | 0.522 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -57.2 | -46.7 | 173.1 | -74.3 | 166.4 | -165 | 163.1 | 0 | 111.5 | S1083 D1084 I1090 N1091 | S1083-K1087 VanDerWaalsContact O-CG 3.25Å; S1083-K1087 WeakPolarHBondContact O-CG 3.39Å; S1083-K1087 PolarHBondContact O-N 3.41Å; D1084-K1087 WeakPolarHBondContact OD1-CE 3.5Å; D1084-K1087 IonicContact OD1-NZ 3.83Å; D1084-K1087 PolarHBondContact OD1-NZ 2.87Å; K1087-I1090 PolarHBondContact O-N 3.15Å; K1087-N1091 VanDerWaalsContact O-CG 3.26Å; K1087-N1091 PolarHBondContact O-N 3.03Å |
| 1088 | K | 70.8 | Confident | 65.7 | Low | 139 Ų | 139 | 87.3 Ų | 87.3 | 60% | 0.604 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -60.3 | -52.4 | 177.2 | -174.2 | 179.2 | 176.7 | -179 | 0 | 110.6 | D1084 F1085 N1086 I1090 N1091 D1092 | D1084-K1088 WeakPolarHBondContact O-CB 3.5Å; D1084-K1088 PolarHBondContact O-N 3.11Å; F1085-K1088 PolarHBondContact O-N 2.92Å; N1086-K1088 VanDerWaalsContact C-N 3.34Å; N1086-K1088 PolarHBondContact O-N 2.6Å; K1088-I1090 VanDerWaalsContact C-N 3.3Å; K1088-I1090 PolarHBondContact O-N 3.29Å; K1088-N1091 WeakPolarHBondContact O-CA 3.21Å; K1088-N1091 WeakPolarHBondContact O-CB 3.49Å; K1088-N1091 PolarHBondContact O-N 2.97Å; K1088-D1092 PolarHBondContact O-N 3.49Å |
| 1089 | H | 72.2 | Confident | 67 | Low | 28 Ų | 28 | 86.5 Ų | 86.5 | 13% | 0.13 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -60 | -37.8 | 179.4 | -176.4 | 65.3 | 0 | 0 | 0 | 113 | R1066 F1085 N1086 D1092 C1093 | R1066-H1089 VanDerWaalsContact CD-CD2 3.43Å; R1066-H1089 WeakPolarHBondContact CD-CD2 3.37Å; R1066-H1089 VanDerWaalsContact CD-NE2 3.28Å; R1066-H1089 WeakPolarHBondContact CD-NE2 3.29Å; R1066-H1089 WeakPolarHBondContact CG-NE2 3.43Å; F1085-H1089 WeakPolarHBondContact O-CB 3.5Å; F1085-H1089 PolarHBondContact O-N 3.3Å; N1086-H1089 PolarHBondContact O-N 3.21Å; H1089-D1092 PolarHBondContact O-N 2.92Å; H1089-C1093 WeakPolarHBondContact O-CB 3.32Å; H1089-C1093 PolarHBondContact O-N 3.32Å; H1089-C1093 PolarHBondContact O-SG 3.4Å |
| 1090 | I | 66.5 | Low | 68.3 | Low | 102 Ų | 102 | 80.2 Ų | 80.2 | 52% | 0.523 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.3 | -44.8 | 173.4 | -72.1 | 163.8 | 0 | 0 | 0 | 110.6 | N1086 K1087 K1088 C1093 V1094 | N1086-I1090 WeakPolarHBondContact O-CB 3.01Å; N1086-I1090 WeakPolarHBondContact O-CD1 3.3Å; N1086-I1090 WeakPolarHBondContact O-CG1 3.14Å; N1086-I1090 PolarHBondContact O-N 3.49Å; K1087-I1090 PolarHBondContact O-N 3.15Å; K1088-I1090 VanDerWaalsContact C-N 3.3Å; K1088-I1090 PolarHBondContact O-N 3.29Å; I1090-C1093 PolarHBondContact O-N 2.88Å; I1090-V1094 HydrophobicContact CG2-CG2 4.45Å; I1090-V1094 WeakPolarHBondContact O-CB 3.42Å; I1090-V1094 VanDerWaalsContact O-CG2 3.28Å; I1090-V1094 WeakPolarHBondContact O-CG2 3.49Å; I1090-V1094 PolarHBondContact O-N 3.21Å |
| 1091 | N | 68 | Low | 69.2 | Low | 105 Ų | 105 | 80 Ų | 80 | 56% | 0.561 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -62.7 | -46.7 | 175.9 | -69.2 | -15 | 0 | 0 | 0 | 111.6 | K1087 K1088 C1093 V1094 E1095 | K1087-N1091 VanDerWaalsContact O-CG 3.26Å; K1087-N1091 PolarHBondContact O-N 3.03Å; K1088-N1091 WeakPolarHBondContact O-CA 3.21Å; K1088-N1091 WeakPolarHBondContact O-CB 3.49Å; K1088-N1091 PolarHBondContact O-N 2.97Å; N1091-C1093 VanDerWaalsContact C-N 3.31Å; N1091-C1093 PolarHBondContact O-N 2.93Å; N1091-V1094 PolarHBondContact O-N 3.22Å; N1091-V1094 VanDerWaalsContact O-N 3.14Å; N1091-E1095 PolarHBondContact O-N 3.49Å |
| 1092 | D | 72.4 | Confident | 70.2 | Confident | 68 Ų | 68 | 80 Ų | 80 | 36% | 0.364 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -57 | -44.4 | 176.1 | -57 | -20.9 | 0 | 0 | 0 | 110.5 | K1088 H1089 E1095 I1096 | K1088-D1092 PolarHBondContact O-N 3.49Å; H1089-D1092 PolarHBondContact O-N 2.92Å; D1092-E1095 PolarHBondContact O-N 3.32Å; D1092-I1096 WeakPolarHBondContact O-CB 3.47Å; D1092-I1096 WeakPolarHBondContact O-CD1 3.49Å; D1092-I1096 VanDerWaalsContact O-CG1 3.28Å; D1092-I1096 WeakPolarHBondContact O-CG1 3.48Å; D1092-I1096 PolarHBondContact O-N 3.32Å |
| 1093 | C | 73.3 | Confident | 71.3 | Confident | 19 Ų | 19 | 77.6 Ų | 77.6 | 13% | 0.128 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.6 | -42.9 | 174.6 | -73.1 | 0 | 0 | 0 | 0 | 112.9 | L1062 H1089 I1090 N1091 E1095 I1096 F1097 | L1062-C1093 HydrophobicContact CD1-CB 4.41Å; H1089-C1093 WeakPolarHBondContact O-CB 3.32Å; H1089-C1093 PolarHBondContact O-N 3.32Å; H1089-C1093 PolarHBondContact O-SG 3.4Å; I1090-C1093 PolarHBondContact O-N 2.88Å; N1091-C1093 VanDerWaalsContact C-N 3.31Å; N1091-C1093 PolarHBondContact O-N 2.93Å; C1093-E1095 VanDerWaalsContact C-N 3.33Å; C1093-E1095 PolarHBondContact O-N 2.98Å; C1093-I1096 PolarHBondContact O-N 3.09Å; C1093-F1097 HydrophobicContact CB-CD2 4.47Å; C1093-F1097 HydrophobicContact CB-CE2 4.43Å; C1093-F1097 WeakPolarHBondContact O-CD2 3.42Å; C1093-F1097 PolarHBondContact O-N 2.92Å |
| 1094 | V | 69.6 | Low | 72.9 | Confident | 60 Ų | 60 | 76 Ų | 76 | 36% | 0.364 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.4 | -39.5 | 178.1 | 164.4 | 0 | 0 | 0 | 0 | 111.1 | I1090 N1091 R1098 | I1090-V1094 HydrophobicContact CG2-CG2 4.45Å; I1090-V1094 WeakPolarHBondContact O-CB 3.42Å; I1090-V1094 VanDerWaalsContact O-CG2 3.28Å; I1090-V1094 WeakPolarHBondContact O-CG2 3.49Å; I1090-V1094 PolarHBondContact O-N 3.21Å; N1091-V1094 PolarHBondContact O-N 3.22Å; N1091-V1094 VanDerWaalsContact O-N 3.14Å; V1094-R1098 WeakPolarHBondContact O-CB 3.23Å; V1094-R1098 VanDerWaalsContact O-CG 3.28Å; V1094-R1098 WeakPolarHBondContact O-CG 3.48Å; V1094-R1098 PolarHBondContact O-N 2.84Å |
| 1095 | E | 75.2 | Confident | 73.8 | Confident | 140 Ų | 140 | 76.2 Ų | 76.2 | 65% | 0.654 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -67.3 | -42.5 | 175.4 | -173.8 | 162.1 | -158.4 | 0 | 0 | 112 | N1091 D1092 C1093 R1098 K1099 | N1091-E1095 PolarHBondContact O-N 3.49Å; D1092-E1095 PolarHBondContact O-N 3.32Å; C1093-E1095 VanDerWaalsContact C-N 3.33Å; C1093-E1095 PolarHBondContact O-N 2.98Å; E1095-R1098 PolarHBondContact O-N 3.48Å; E1095-K1099 PolarHBondContact O-N 3.21Å |
| 1096 | I | 78.4 | Confident | 74.3 | Confident | 37 Ų | 37 | 78.3 Ų | 78.3 | 19% | 0.19 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 175.4 | -72.2 | 166.5 | 0 | 0 | 0 | 111.7 | F898 V899 I1058 L1062 D1092 C1093 K1099 L1100 | F898-I1096 HydrophobicContact CE1-CD1 4.32Å; F898-I1096 HydrophobicContact CZ-CD1 4.18Å; F898-I1096 HydrophobicContact CZ-CG2 4.07Å; V899-I1096 HydrophobicContact CG2-CG2 4.13Å; I1058-I1096 HydrophobicContact CG2-CG2 3.92Å; L1062-I1096 HydrophobicContact CD1-CG2 4.34Å; L1062-I1096 HydrophobicContact CD2-CD1 3.77Å; D1092-I1096 WeakPolarHBondContact O-CB 3.47Å; D1092-I1096 WeakPolarHBondContact O-CD1 3.49Å; D1092-I1096 VanDerWaalsContact O-CG1 3.28Å; D1092-I1096 WeakPolarHBondContact O-CG1 3.48Å; D1092-I1096 PolarHBondContact O-N 3.32Å; C1093-I1096 PolarHBondContact O-N 3.09Å; I1096-K1099 PolarHBondContact O-N 2.78Å; I1096-L1100 PolarHBondContact O-N 3.07Å |
| 1097 | F | 77 | Confident | 75.4 | Confident | 39 Ų | 39 | 76.8 Ų | 76.8 | 17% | 0.171 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -69.1 | -36 | 174.9 | -75 | -57.7 | 0 | 0 | 0 | 112.6 | K1055 I1058 Q1059 L1062 C1093 L1100 E1101 | K1055-F1097 HydrophobicContact CG-CD1 4.47Å; K1055-F1097 HydrophobicContact CG-CE1 3.98Å; I1058-F1097 HydrophobicContact CG2-CE1 3.85Å; I1058-F1097 HydrophobicContact CG2-CZ 4.16Å; Q1059-F1097 HydrophobicContact CG-CE1 4.43Å; Q1059-F1097 HydrophobicContact CG-CZ 3.82Å; L1062-F1097 HydrophobicContact CD1-CE2 3.78Å; L1062-F1097 HydrophobicContact CD1-CZ 3.76Å; C1093-F1097 HydrophobicContact CB-CD2 4.47Å; C1093-F1097 HydrophobicContact CB-CE2 4.43Å; C1093-F1097 WeakPolarHBondContact O-CD2 3.42Å; C1093-F1097 PolarHBondContact O-N 2.92Å; F1097-L1100 HydrophobicContact CD1-CD2 4.12Å; F1097-L1100 HydrophobicContact CE1-CD2 4.46Å; F1097-L1100 PolarHBondContact O-N 3.37Å; F1097-E1101 WeakPolarHBondContact O-CB 3.43Å; F1097-E1101 WeakPolarHBondContact O-CG 2.95Å; F1097-E1101 PolarHBondContact O-N 3.02Å |
| 1098 | R | 73.9 | Confident | 76.1 | Confident | 175 Ų | 175 | 77 Ų | 77 | 66% | 0.66 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -62.2 | -40.2 | 170 | -76.6 | 171.6 | 178.6 | 162.2 | 0.8 | 112.3 | V1094 E1095 E1101 K1102 | V1094-R1098 WeakPolarHBondContact O-CB 3.23Å; V1094-R1098 VanDerWaalsContact O-CG 3.28Å; V1094-R1098 WeakPolarHBondContact O-CG 3.48Å; V1094-R1098 PolarHBondContact O-N 2.84Å; E1095-R1098 PolarHBondContact O-N 3.48Å; R1098-E1101 PolarHBondContact O-N 2.68Å; R1098-K1102 WeakPolarHBondContact O-CB 3.28Å; R1098-K1102 PolarHBondContact O-N 3.2Å |
| 1099 | K | 79.8 | Confident | 76.4 | Confident | 94 Ų | 94 | 76 Ų | 76 | 41% | 0.409 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 174.8 | -169.2 | 175.2 | 178.5 | -178.1 | 0 | 110.7 | V899 E1095 I1096 L1103 | V899-K1099 HydrophobicContact CG1-CG 4.49Å; E1095-K1099 PolarHBondContact O-N 3.21Å; I1096-K1099 PolarHBondContact O-N 2.78Å; K1099-L1103 HydrophobicContact CG-CD1 4.42Å; K1099-L1103 WeakPolarHBondContact O-CG 3.44Å; K1099-L1103 PolarHBondContact O-N 2.89Å; K1099-L1103 VanDerWaalsContact O-N 3.09Å |
| 1100 | L | 81.9 | Confident | 76.7 | Confident | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -61.8 | -49.6 | 173.8 | 179.6 | 65.9 | 0 | 0 | 0 | 112.2 | V899 V903 E1054 K1055 I1058 I1096 F1097 K1102 L1103 Q1104 | V899-L1100 HydrophobicContact CG1-CB 4.47Å; V903-L1100 HydrophobicContact CG2-CD1 3.71Å; E1054-L1100 HydrophobicContact CB-CD1 4.5Å; K1055-L1100 HydrophobicContact CB-CD2 4.35Å; K1055-L1100 HydrophobicContact CG-CD2 4.48Å; I1058-L1100 HydrophobicContact CD1-CB 4.44Å; I1058-L1100 HydrophobicContact CD1-CD1 3.73Å; I1058-L1100 HydrophobicContact CD1-CD2 3.8Å; I1058-L1100 HydrophobicContact CD1-CG 4.19Å; I1096-L1100 PolarHBondContact O-N 3.07Å; F1097-L1100 HydrophobicContact CD1-CD2 4.12Å; F1097-L1100 HydrophobicContact CE1-CD2 4.46Å; F1097-L1100 PolarHBondContact O-N 3.37Å; L1100-K1102 VanDerWaalsContact C-N 3.33Å; L1100-K1102 PolarHBondContact O-N 2.89Å; L1100-L1103 PolarHBondContact O-N 2.94Å; L1100-Q1104 HydrophobicContact CD1-CG 4.09Å; L1100-Q1104 HydrophobicContact CG-CG 4.3Å; L1100-Q1104 WeakPolarHBondContact O-CB 3.46Å; L1100-Q1104 WeakPolarHBondContact O-CG 3.19Å; L1100-Q1104 PolarHBondContact O-N 2.65Å |
| 1101 | E | 76.7 | Confident | 77.2 | Confident | 91 Ų | 91 | 76.4 Ų | 76.4 | 43% | 0.425 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.4 | -36.2 | -177.4 | -75 | 168.6 | 179.9 | 0 | 0 | 111.4 | K1055 F1097 R1098 S1105 | K1055-E1101 IonicContact NZ-OE1 3.38Å; K1055-E1101 PolarHBondContact NZ-OE1 2.92Å; F1097-E1101 WeakPolarHBondContact O-CB 3.43Å; F1097-E1101 WeakPolarHBondContact O-CG 2.95Å; F1097-E1101 PolarHBondContact O-N 3.02Å; R1098-E1101 PolarHBondContact O-N 2.68Å; E1101-S1105 VanDerWaalsContact O-CB 3.24Å; E1101-S1105 WeakPolarHBondContact O-CB 3.25Å; E1101-S1105 PolarHBondContact O-N 3.1Å |
| 1102 | K | 80.1 | Confident | 77.4 | Confident | 146 Ų | 146 | 76.4 Ų | 76.4 | 64% | 0.635 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -63 | -45.3 | 170.7 | -171.5 | 174.5 | -178.2 | 178.5 | 0 | 112.2 | R1098 L1100 S1105 M1106 | R1098-K1102 WeakPolarHBondContact O-CB 3.28Å; R1098-K1102 PolarHBondContact O-N 3.2Å; L1100-K1102 VanDerWaalsContact C-N 3.33Å; L1100-K1102 PolarHBondContact O-N 2.89Å; K1102-S1105 PolarHBondContact O-N 2.84Å; K1102-M1106 WeakPolarHBondContact O-CG 3.44Å; K1102-M1106 PolarHBondContact O-N 2.96Å |
| 1103 | L | 81.1 | Confident | 77.7 | Confident | 40 Ų | 40 | 77.8 Ų | 77.8 | 21% | 0.209 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.7 | -44.4 | 176.6 | -72.8 | 166.6 | 0 | 0 | 0 | 112 | V899 V900 V903 K1099 L1100 S1105 M1106 R1107 | V899-L1103 HydrophobicContact CG1-CD1 3.96Å; V900-L1103 HydrophobicContact CG2-CD1 4.35Å; V903-L1103 HydrophobicContact CG1-CB 4.43Å; V903-L1103 HydrophobicContact CG2-CB 4.43Å; V903-L1103 HydrophobicContact CG2-CD1 4.32Å; K1099-L1103 HydrophobicContact CG-CD1 4.42Å; K1099-L1103 WeakPolarHBondContact O-CG 3.44Å; K1099-L1103 PolarHBondContact O-N 2.89Å; K1099-L1103 VanDerWaalsContact O-N 3.09Å; L1100-L1103 PolarHBondContact O-N 2.94Å; L1103-S1105 VanDerWaalsContact C-N 3.34Å; L1103-S1105 PolarHBondContact O-N 3.31Å; L1103-M1106 HydrophobicContact CD2-CE 3.88Å; L1103-M1106 PolarHBondContact O-N 3.39Å; L1103-R1107 WeakPolarHBondContact O-CB 3.28Å; L1103-R1107 PolarHBondContact O-N 3.36Å |
| 1104 | Q | 82.4 | Confident | 77.6 | Confident | 31 Ų | 31 | 81.2 Ų | 81.2 | 15% | 0.145 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -65.1 | -36.4 | 176.4 | -72.3 | -176.8 | -11.8 | 0 | 0 | 111.9 | C1051 E1054 L1100 R1107 K1108 | C1051-Q1104 PolarHBondContact O-NE2 2.98Å; E1054-Q1104 PolarHBondContact OE2-NE2 3.4Å; L1100-Q1104 HydrophobicContact CD1-CG 4.09Å; L1100-Q1104 HydrophobicContact CG-CG 4.3Å; L1100-Q1104 WeakPolarHBondContact O-CB 3.46Å; L1100-Q1104 WeakPolarHBondContact O-CG 3.19Å; L1100-Q1104 PolarHBondContact O-N 2.65Å; Q1104-R1107 PolarHBondContact O-N 3.05Å; Q1104-K1108 VanDerWaalsContact O-CB 3.32Å; Q1104-K1108 WeakPolarHBondContact O-CB 3.33Å; Q1104-K1108 PolarHBondContact O-N 2.92Å |
| 1105 | S | 77.5 | Confident | 77.6 | Confident | 70 Ų | 70 | 80 Ų | 80 | 49% | 0.49 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.1 | -49.7 | 173.9 | -167.2 | 0 | 0 | 0 | 0 | 111.7 | E1101 K1102 L1103 R1107 K1108 E1109 | E1101-S1105 VanDerWaalsContact O-CB 3.24Å; E1101-S1105 WeakPolarHBondContact O-CB 3.25Å; E1101-S1105 PolarHBondContact O-N 3.1Å; K1102-S1105 PolarHBondContact O-N 2.84Å; L1103-S1105 VanDerWaalsContact C-N 3.34Å; L1103-S1105 PolarHBondContact O-N 3.31Å; S1105-R1107 VanDerWaalsContact C-N 3.3Å; S1105-R1107 PolarHBondContact O-N 3.46Å; S1105-K1108 WeakPolarHBondContact O-CB 3.35Å; S1105-K1108 PolarHBondContact O-N 3.37Å; S1105-K1108 VanDerWaalsContact O-N 3.1Å; S1105-E1109 WeakPolarHBondContact O-CB 3.28Å; S1105-E1109 PolarHBondContact O-N 2.94Å |
| 1106 | M | 80.7 | Confident | 77.5 | Confident | 92 Ų | 92 | 78.1 Ų | 78.1 | 45% | 0.453 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.4 | -37.3 | 176.4 | -68.4 | -174 | -53.5 | 0 | 0 | 112 | K1102 L1103 E1109 K1110 | K1102-M1106 WeakPolarHBondContact O-CG 3.44Å; K1102-M1106 PolarHBondContact O-N 2.96Å; L1103-M1106 HydrophobicContact CD2-CE 3.88Å; L1103-M1106 PolarHBondContact O-N 3.39Å; M1106-E1109 PolarHBondContact O-N 3.43Å; M1106-K1110 WeakPolarHBondContact O-CB 3.24Å; M1106-K1110 PolarHBondContact O-N 2.84Å |
| 1107 | R | 82.3 | Confident | 77.2 | Confident | 16 Ų | 16 | 81 Ų | 81 | 6% | 0.06 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -65 | -41.9 | 173 | -173.3 | 173.7 | 63.9 | -166.2 | -8.9 | 111.8 | T904 C1051 E1054 L1103 Q1104 S1105 F1111 | T904-R1107 PolarHBondContact O-NH1 2.85Å; C1051-R1107 PolarHBondContact SG-NH2 3.14Å; E1054-R1107 VanDerWaalsContact CD-NH2 3.27Å; E1054-R1107 IonicContact OE1-CZ 3.51Å; E1054-R1107 VanDerWaalsContact OE1-CZ 3.3Å; E1054-R1107 IonicContact OE1-NH1 2.93Å; E1054-R1107 PolarHBondContact OE1-NH1 2.91Å; E1054-R1107 IonicContact OE1-NH2 2.85Å; E1054-R1107 PolarHBondContact OE1-NH2 3.3Å; E1054-R1107 IonicContact OE2-CZ 2.69Å; E1054-R1107 IonicContact OE2-NH1 3.1Å; E1054-R1107 IonicContact OE2-NH2 3.17Å; E1054-R1107 PolarHBondContact OE2-NH2 3.02Å; L1103-R1107 WeakPolarHBondContact O-CB 3.28Å; L1103-R1107 PolarHBondContact O-N 3.36Å; Q1104-R1107 PolarHBondContact O-N 3.05Å; S1105-R1107 VanDerWaalsContact C-N 3.3Å; S1105-R1107 PolarHBondContact O-N 3.46Å; R1107-F1111 WeakPolarHBondContact O-CB 3.42Å; R1107-F1111 PolarHBondContact O-N 3.35Å |
| 1108 | K | 77.4 | Confident | 76.6 | Confident | 124 Ų | 124 | 81.3 Ų | 81.3 | 54% | 0.539 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.8 | -38.9 | 176.8 | -176.3 | -177.4 | 175.5 | -173.7 | 0 | 112 | Q1104 S1105 F1111 L1112 | Q1104-K1108 VanDerWaalsContact O-CB 3.32Å; Q1104-K1108 WeakPolarHBondContact O-CB 3.33Å; Q1104-K1108 PolarHBondContact O-N 2.92Å; S1105-K1108 WeakPolarHBondContact O-CB 3.35Å; S1105-K1108 PolarHBondContact O-N 3.37Å; S1105-K1108 VanDerWaalsContact O-N 3.1Å; K1108-F1111 PolarHBondContact O-N 3.3Å; K1108-L1112 HydrophobicContact CG-CD1 4.21Å; K1108-L1112 WeakPolarHBondContact O-CB 3.36Å; K1108-L1112 PolarHBondContact O-N 2.81Å |
| 1109 | E | 78.3 | Confident | 76.1 | Confident | 120 Ų | 120 | 75.1 Ų | 75.1 | 56% | 0.561 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -68.4 | -50.3 | 176.9 | -174.5 | 174.4 | -163.5 | 0 | 0 | 111.8 | S1105 M1106 F1111 L1112 L1113 | S1105-E1109 WeakPolarHBondContact O-CB 3.28Å; S1105-E1109 PolarHBondContact O-N 2.94Å; M1106-E1109 PolarHBondContact O-N 3.43Å; E1109-F1111 PolarHBondContact O-N 2.94Å; E1109-L1112 PolarHBondContact O-N 3.49Å; E1109-L1112 VanDerWaalsContact O-N 3.12Å; E1109-L1113 PolarHBondContact O-N 3.45Å |
| 1110 | K | 78.7 | Confident | 75.5 | Confident | 102 Ų | 102 | 75.7 Ų | 75.7 | 44% | 0.443 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -56.3 | -33.7 | 171.8 | -178.2 | -174.8 | 173.7 | -163 | 0 | 112.5 | D905 M1106 K1114 | D905-K1110 IonicContact OD1-NZ 3.32Å; D905-K1110 PolarHBondContact OD1-NZ 3.36Å; D905-K1110 IonicContact OD2-NZ 2.73Å; D905-K1110 PolarHBondContact OD2-NZ 3.1Å; M1106-K1110 WeakPolarHBondContact O-CB 3.24Å; M1106-K1110 PolarHBondContact O-N 2.84Å; K1110-K1114 PolarHBondContact O-N 3.45Å |
| 1111 | F | 76.3 | Confident | 74.6 | Confident | 35 Ų | 35 | 81 Ų | 81 | 15% | 0.154 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -73.2 | -44.5 | 175 | 176.8 | -101.8 | 0 | 0 | 0 | 112.2 | H1043 L1047 R1107 K1108 E1109 K1114 H1115 | H1043-F1111 HydrophobicContact CB-CZ 4.39Å; H1043-F1111 AromaticContact CE1-CE2 3.58Å; H1043-F1111 AromaticContact CG-CZ 3.99Å; H1043-F1111 AromaticContact ND1-CE2 3.4Å; H1043-F1111 WeakPolarHBondContact ND1-CE2 3.36Å; H1043-F1111 AromaticContact ND1-CZ 3.38Å; H1043-F1111 WeakPolarHBondContact ND1-CZ 3.17Å; L1047-F1111 HydrophobicContact CD2-CD1 3.76Å; L1047-F1111 HydrophobicContact CD2-CE1 4.02Å; L1047-F1111 HydrophobicContact CD2-CG 4.22Å; R1107-F1111 WeakPolarHBondContact O-CB 3.42Å; R1107-F1111 PolarHBondContact O-N 3.35Å; K1108-F1111 PolarHBondContact O-N 3.3Å; E1109-F1111 PolarHBondContact O-N 2.94Å; F1111-K1114 PolarHBondContact O-N 2.86Å; F1111-H1115 AromaticContact CD2-CD2 3.94Å; F1111-H1115 AromaticContact CE1-CD2 3.64Å; F1111-H1115 AromaticContact CE1-NE2 3.86Å; F1111-H1115 AromaticContact CE2-CD2 3.54Å; F1111-H1115 AromaticContact CE2-NE2 3.31Å; F1111-H1115 VanDerWaalsContact CE2-NE2 3.31Å; F1111-H1115 WeakPolarHBondContact CE2-NE2 3.44Å; F1111-H1115 AromaticContact CZ-CD2 3.38Å; F1111-H1115 WeakPolarHBondContact CZ-CD2 3.48Å; F1111-H1115 AromaticContact CZ-NE2 3.14Å; F1111-H1115 WeakPolarHBondContact CZ-NE2 3.32Å; F1111-H1115 PolarHBondContact O-CD2 2.88Å; F1111-H1115 PolarHBondContact O-N 3.41Å |
| 1112 | L | 73.2 | Confident | 73.6 | Confident | 105 Ų | 105 | 78.6 Ų | 78.6 | 55% | 0.55 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 174.2 | -89.1 | 157.4 | 0 | 0 | 0 | 112.4 | K1108 E1109 H1115 L1116 | K1108-L1112 HydrophobicContact CG-CD1 4.21Å; K1108-L1112 WeakPolarHBondContact O-CB 3.36Å; K1108-L1112 PolarHBondContact O-N 2.81Å; E1109-L1112 PolarHBondContact O-N 3.49Å; E1109-L1112 VanDerWaalsContact O-N 3.12Å; L1112-H1115 PolarHBondContact O-N 3.48Å; L1112-L1116 PolarHBondContact O-N 3.09Å |
| 1113 | L | 78.3 | Confident | 72.5 | Confident | 98 Ų | 98 | 74.9 Ų | 74.9 | 51% | 0.513 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -57.9 | -52 | 175.2 | -113.5 | 75.9 | 0 | 0 | 0 | 111.5 | E1109 H1115 L1116 E1117 | E1109-L1113 PolarHBondContact O-N 3.45Å; L1113-H1115 VanDerWaalsContact C-N 3.26Å; L1113-H1115 PolarHBondContact O-N 2.89Å; L1113-L1116 WeakPolarHBondContact O-CB 3.49Å; L1113-L1116 PolarHBondContact O-N 2.95Å; L1113-L1116 VanDerWaalsContact O-N 3.09Å; L1113-E1117 WeakPolarHBondContact O-CG 3.42Å; L1113-E1117 PolarHBondContact O-N 3.28Å |
| 1114 | K | 71 | Confident | 71.4 | Confident | 91 Ų | 91 | 76.8 Ų | 76.8 | 40% | 0.396 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -58.8 | -36.1 | 177.1 | -79.7 | -175.1 | 166.7 | -171.3 | 0 | 113.1 | S908 K1110 F1111 M1118 | S908-K1114 PolarHBondContact OG-NZ 3.12Å; K1110-K1114 PolarHBondContact O-N 3.45Å; F1111-K1114 PolarHBondContact O-N 2.86Å; K1114-M1118 VanDerWaalsContact O-CB 3.29Å; K1114-M1118 WeakPolarHBondContact O-CB 3.36Å; K1114-M1118 PolarHBondContact O-N 2.89Å |
| 1115 | H | 69.4 | Low | 70.1 | Confident | 33 Ų | 33 | 78.3 Ų | 78.3 | 15% | 0.153 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -68.2 | -40.4 | 175.5 | -94.3 | -74.4 | 0 | 0 | 0 | 112.3 | F1111 L1112 L1113 T1119 | F1111-H1115 AromaticContact CD2-CD2 3.94Å; F1111-H1115 AromaticContact CE1-CD2 3.64Å; F1111-H1115 AromaticContact CE1-NE2 3.86Å; F1111-H1115 AromaticContact CE2-CD2 3.54Å; F1111-H1115 AromaticContact CE2-NE2 3.31Å; F1111-H1115 VanDerWaalsContact CE2-NE2 3.31Å; F1111-H1115 WeakPolarHBondContact CE2-NE2 3.44Å; F1111-H1115 AromaticContact CZ-CD2 3.38Å; F1111-H1115 WeakPolarHBondContact CZ-CD2 3.48Å; F1111-H1115 AromaticContact CZ-NE2 3.14Å; F1111-H1115 WeakPolarHBondContact CZ-NE2 3.32Å; F1111-H1115 PolarHBondContact O-CD2 2.88Å; F1111-H1115 PolarHBondContact O-N 3.41Å; L1112-H1115 PolarHBondContact O-N 3.48Å; L1113-H1115 VanDerWaalsContact C-N 3.26Å; L1113-H1115 PolarHBondContact O-N 2.89Å; H1115-T1119 PolarHBondContact O-N 3.24Å; H1115-T1119 PolarHBondContact O-OG1 3.48Å; H1115-T1119 VanDerWaalsContact O-OG1 3.09Å |
| 1116 | L | 72.3 | Confident | 68.9 | Low | 101 Ų | 101 | 75.8 Ų | 75.8 | 53% | 0.529 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.2 | -46.4 | 175.1 | -175.3 | 63.7 | 0 | 0 | 0 | 111.7 | L1112 L1113 M1118 T1119 Q1120 | L1112-L1116 PolarHBondContact O-N 3.09Å; L1113-L1116 WeakPolarHBondContact O-CB 3.49Å; L1113-L1116 PolarHBondContact O-N 2.95Å; L1113-L1116 VanDerWaalsContact O-N 3.09Å; L1116-M1118 PolarHBondContact O-N 3.04Å; L1116-T1119 PolarHBondContact O-N 2.97Å; L1116-Q1120 WeakPolarHBondContact O-CG 3.35Å; L1116-Q1120 PolarHBondContact O-N 3.46Å |
| 1117 | E | 72.6 | Confident | 67.4 | Low | 97 Ų | 97 | 75.5 Ų | 75.5 | 45% | 0.453 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -56.9 | -47.1 | 175 | -72.1 | 172.3 | 172 | 0 | 0 | 111.7 | L1113 T1119 Q1120 Q1121 | L1113-E1117 WeakPolarHBondContact O-CG 3.42Å; L1113-E1117 PolarHBondContact O-N 3.28Å; E1117-T1119 PolarHBondContact O-N 3.43Å; E1117-Q1120 PolarHBondContact O-N 3.39Å; E1117-Q1121 WeakPolarHBondContact O-CB 3.39Å; E1117-Q1121 VanDerWaalsContact O-CG 3.23Å; E1117-Q1121 WeakPolarHBondContact O-CG 3.38Å; E1117-Q1121 PolarHBondContact O-N 3.01Å |
| 1118 | M | 65.1 | Low | 66.1 | Low | 47 Ų | 47 | 80.3 Ų | 80.3 | 23% | 0.232 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.6 | -39.8 | 178.6 | -175.5 | -177.4 | 67.2 | 0 | 0 | 112.1 | L911 K1114 L1116 M1122 | L911-M1118 HydrophobicContact CD1-CG 4.43Å; K1114-M1118 VanDerWaalsContact O-CB 3.29Å; K1114-M1118 WeakPolarHBondContact O-CB 3.36Å; K1114-M1118 PolarHBondContact O-N 2.89Å; L1116-M1118 PolarHBondContact O-N 3.04Å; M1118-M1122 WeakPolarHBondContact O-CG 3.48Å; M1118-M1122 PolarHBondContact O-N 3.25Å |
| 1119 | T | 62.4 | Low | 64.7 | Low | 45 Ų | 45 | 78.5 Ų | 78.5 | 28% | 0.276 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.7 | -48.5 | 176.4 | -65.7 | 0 | 0 | 0 | 0 | 111.2 | H1115 L1116 E1117 Q1121 M1122 E1123 | H1115-T1119 PolarHBondContact O-N 3.24Å; H1115-T1119 PolarHBondContact O-OG1 3.48Å; H1115-T1119 VanDerWaalsContact O-OG1 3.09Å; L1116-T1119 PolarHBondContact O-N 2.97Å; E1117-T1119 PolarHBondContact O-N 3.43Å; T1119-Q1121 VanDerWaalsContact C-N 3.33Å; T1119-Q1121 PolarHBondContact O-N 3.07Å; T1119-M1122 WeakPolarHBondContact O-CB 3.28Å; T1119-M1122 PolarHBondContact O-N 3.27Å; T1119-M1122 VanDerWaalsContact O-N 3.07Å; T1119-E1123 WeakPolarHBondContact CG2-OE1 3.46Å; T1119-E1123 WeakPolarHBondContact O-CG 3.45Å; T1119-E1123 PolarHBondContact O-N 2.96Å |
| 1120 | Q | 67.4 | Low | 63.3 | Low | 106 Ų | 106 | 78.8 Ų | 78.8 | 50% | 0.495 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63 | -37.1 | 177.7 | -70 | 174.8 | -6.4 | 0 | 0 | 112.7 | L1116 E1117 M1122 E1123 S1124 | L1116-Q1120 WeakPolarHBondContact O-CG 3.35Å; L1116-Q1120 PolarHBondContact O-N 3.46Å; E1117-Q1120 PolarHBondContact O-N 3.39Å; Q1120-M1122 VanDerWaalsContact C-N 3.33Å; Q1120-E1123 PolarHBondContact O-N 2.87Å; Q1120-S1124 WeakPolarHBondContact O-CB 3.36Å; Q1120-S1124 PolarHBondContact O-N 2.93Å |
| 1121 | Q | 63.2 | Low | 61.9 | Low | 110 Ų | 110 | 77.6 Ų | 77.6 | 51% | 0.514 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.9 | -35.3 | 173.4 | -74.9 | 174 | 21.8 | 0 | 0 | 112.3 | E1117 T1119 L1125 | E1117-Q1121 WeakPolarHBondContact O-CB 3.39Å; E1117-Q1121 VanDerWaalsContact O-CG 3.23Å; E1117-Q1121 WeakPolarHBondContact O-CG 3.38Å; E1117-Q1121 PolarHBondContact O-N 3.01Å; T1119-Q1121 VanDerWaalsContact C-N 3.33Å; T1119-Q1121 PolarHBondContact O-N 3.07Å; Q1121-L1125 WeakPolarHBondContact O-CB 3.14Å; Q1121-L1125 PolarHBondContact O-N 2.93Å |
| 1122 | M | 56.4 | Low | 60.7 | Low | 41 Ų | 41 | 80.3 Ų | 80.3 | 20% | 0.202 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -67.6 | -51.3 | 172.8 | -76.7 | 178.9 | 50.7 | 0 | 0 | 111.5 | L911 F1012 M1118 T1119 Q1120 S1124 L1125 L1126 | L911-M1122 HydrophobicContact CD1-CG 3.79Å; L911-M1122 HydrophobicContact CD1-SD 4.2Å; F1012-M1122 HydrophobicContact CB-CE 3.7Å; F1012-M1122 HydrophobicContact CD2-CE 3.94Å; F1012-M1122 HydrophobicContact CG-CE 3.96Å; M1118-M1122 WeakPolarHBondContact O-CG 3.48Å; M1118-M1122 PolarHBondContact O-N 3.25Å; T1119-M1122 WeakPolarHBondContact O-CB 3.28Å; T1119-M1122 PolarHBondContact O-N 3.27Å; T1119-M1122 VanDerWaalsContact O-N 3.07Å; Q1120-M1122 VanDerWaalsContact C-N 3.33Å; M1122-S1124 VanDerWaalsContact C-N 3.31Å; M1122-S1124 PolarHBondContact O-N 3.17Å; M1122-L1125 PolarHBondContact O-N 3.24Å; M1122-L1126 WeakPolarHBondContact O-CD1 3.46Å; M1122-L1126 WeakPolarHBondContact O-CG 3.46Å; M1122-L1126 PolarHBondContact O-N 3.05Å |
| 1123 | E | 55.8 | Low | 59.6 | Low | 69 Ų | 69 | 76.8 Ų | 76.8 | 32% | 0.322 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -55.9 | -43.2 | 179.5 | -69.5 | 167.8 | 169.2 | 0 | 0 | 112.2 | T1014 T1119 Q1120 L1126 T1127 | T1014-E1123 HydrophobicContact CG2-CG 4.02Å; T1119-E1123 WeakPolarHBondContact CG2-OE1 3.46Å; T1119-E1123 WeakPolarHBondContact O-CG 3.45Å; T1119-E1123 PolarHBondContact O-N 2.96Å; Q1120-E1123 PolarHBondContact O-N 2.87Å; E1123-L1126 PolarHBondContact O-N 3.47Å; E1123-T1127 PolarHBondContact O-N 2.96Å; E1123-T1127 VanDerWaalsContact O-N 3.09Å; E1123-T1127 PolarHBondContact O-OG1 3.33Å |
| 1124 | S | 58.8 | Low | 58.2 | Low | 80 Ų | 80 | 76.3 Ų | 76.3 | 56% | 0.559 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -63.4 | -45.7 | 176.2 | -176.3 | 0 | 0 | 0 | 0 | 112.9 | Q1120 M1122 L1126 Q1128 | Q1120-S1124 WeakPolarHBondContact O-CB 3.36Å; Q1120-S1124 PolarHBondContact O-N 2.93Å; M1122-S1124 VanDerWaalsContact C-N 3.31Å; M1122-S1124 PolarHBondContact O-N 3.17Å; S1124-L1126 VanDerWaalsContact C-N 3.29Å; S1124-L1126 PolarHBondContact O-N 3.34Å; S1124-Q1128 PolarHBondContact O-N 2.83Å |
| 1125 | L | 54.4 | Low | 57.7 | Low | 63 Ų | 63 | 78.7 Ų | 78.7 | 33% | 0.33 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.2 | -34.1 | 176.4 | -90.9 | 164.8 | 0 | 0 | 0 | 112.8 | L911 Q1121 M1122 L1129 | L911-L1125 HydrophobicContact CD2-CD1 4Å; Q1121-L1125 WeakPolarHBondContact O-CB 3.14Å; Q1121-L1125 PolarHBondContact O-N 2.93Å; M1122-L1125 PolarHBondContact O-N 3.24Å; L1125-L1129 WeakPolarHBondContact O-CB 3.23Å; L1125-L1129 WeakPolarHBondContact O-CD1 3.4Å; L1125-L1129 VanDerWaalsContact O-CG 3.27Å; L1125-L1129 WeakPolarHBondContact O-CG 3.39Å; L1125-L1129 PolarHBondContact O-N 2.89Å; L1125-L1129 VanDerWaalsContact O-N 3.12Å |
| 1126 | L | 52.3 | Low | 57 | Low | 16 Ų | 16 | 83.6 Ų | 83.6 | 8% | 0.084 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -69.8 | -51.3 | 179.5 | -69.2 | 163 | 0 | 0 | 0 | 111.1 | H1011 F1012 M1122 E1123 S1124 Q1128 L1129 E1130 | H1011-L1126 HydrophobicContact CB-CD2 3.54Å; F1012-L1126 WeakPolarHBondContact O-CD1 3.04Å; M1122-L1126 WeakPolarHBondContact O-CD1 3.46Å; M1122-L1126 WeakPolarHBondContact O-CG 3.46Å; M1122-L1126 PolarHBondContact O-N 3.05Å; E1123-L1126 PolarHBondContact O-N 3.47Å; S1124-L1126 VanDerWaalsContact C-N 3.29Å; S1124-L1126 PolarHBondContact O-N 3.34Å; L1126-Q1128 PolarHBondContact O-N 3.04Å; L1126-L1129 PolarHBondContact O-N 2.85Å; L1126-E1130 PolarHBondContact O-N 3.17Å |
| 1127 | T | 50.7 | Low | 56 | Low | 87 Ų | 87 | 79.2 Ų | 79.2 | 53% | 0.534 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -54.3 | -40.9 | 176.6 | -52.9 | 0 | 0 | 0 | 0 | 111.5 | E1123 S1131 | E1123-T1127 PolarHBondContact O-N 2.96Å; E1123-T1127 VanDerWaalsContact O-N 3.09Å; E1123-T1127 PolarHBondContact O-OG1 3.33Å; T1127-S1131 WeakPolarHBondContact O-CB 3.41Å; T1127-S1131 PolarHBondContact O-N 2.81Å; T1127-S1131 VanDerWaalsContact O-N 3.14Å |
| 1128 | Q | 53.2 | Low | 55.2 | Low | 117 Ų | 117 | 79.7 Ų | 79.7 | 55% | 0.547 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -68.9 | -37.1 | 177.9 | -162.7 | 176 | 37.4 | 0 | 0 | 113 | S1124 L1126 Q1132 | S1124-Q1128 PolarHBondContact O-N 2.83Å; L1126-Q1128 PolarHBondContact O-N 3.04Å; Q1128-Q1132 WeakPolarHBondContact O-CG 3.14Å; Q1128-Q1132 PolarHBondContact O-N 3.49Å |
| 1129 | L | 49 | Very low | 55.2 | Low | 85 Ų | 85 | 83 Ų | 83 | 45% | 0.445 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -73 | -37.1 | 176.7 | -76.5 | 167.8 | 0 | 0 | 0 | 112.8 | L1125 L1126 L1133 | L1125-L1129 WeakPolarHBondContact O-CB 3.23Å; L1125-L1129 WeakPolarHBondContact O-CD1 3.4Å; L1125-L1129 VanDerWaalsContact O-CG 3.27Å; L1125-L1129 WeakPolarHBondContact O-CG 3.39Å; L1125-L1129 PolarHBondContact O-N 2.89Å; L1125-L1129 VanDerWaalsContact O-N 3.12Å; L1126-L1129 PolarHBondContact O-N 2.85Å; L1129-L1133 WeakPolarHBondContact O-CB 3.26Å; L1129-L1133 PolarHBondContact O-N 2.93Å |
| 1130 | E | 48.2 | Very low | 54.8 | Low | 127 Ų | 127 | 84.2 Ų | 84.2 | 59% | 0.593 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -67.5 | -39.2 | 176.3 | -71.3 | -172.4 | 161.7 | 0 | 0 | 111.9 | L1126 L1133 N1134 | L1126-E1130 PolarHBondContact O-N 3.17Å; E1130-L1133 PolarHBondContact O-N 2.9Å; E1130-N1134 PolarHBondContact O-N 2.94Å |
| 1131 | S | 50.2 | Low | 54.2 | Low | 77 Ų | 77 | 85.1 Ų | 85.1 | 54% | 0.538 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -60 | -53.4 | 173.1 | -174.2 | 0 | 0 | 0 | 0 | 111.8 | T1127 L1133 N1134 E1135 | T1127-S1131 WeakPolarHBondContact O-CB 3.41Å; T1127-S1131 PolarHBondContact O-N 2.81Å; T1127-S1131 VanDerWaalsContact O-N 3.14Å; S1131-L1133 PolarHBondContact O-N 3.42Å; S1131-N1134 PolarHBondContact O-N 2.94Å; S1131-E1135 PolarHBondContact O-N 3.43Å |
| 1132 | Q | 51.3 | Low | 54.1 | Low | 92 Ų | 92 | 88.5 Ų | 88.5 | 43% | 0.43 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.1 | -27.8 | 177.2 | -71.7 | -179 | 17.1 | 0 | 0 | 113.6 | Q1128 K1136 | Q1128-Q1132 WeakPolarHBondContact O-CG 3.14Å; Q1128-Q1132 PolarHBondContact O-N 3.49Å; Q1132-K1136 WeakPolarHBondContact O-CG 3.44Å; Q1132-K1136 PolarHBondContact O-N 3Å |
| 1133 | L | 49.1 | Very low | 54.4 | Low | 30 Ų | 30 | 91.7 Ų | 91.7 | 16% | 0.157 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -70.7 | -55.4 | 173.2 | -178.2 | 79.4 | 0 | 0 | 0 | 110.4 | L1004 Q1007 L1129 E1130 S1131 E1135 K1136 L1137 | L1004-L1133 HydrophobicContact CD2-CD2 4.46Å; Q1007-L1133 VanDerWaalsContact NE2-CD2 3.29Å; Q1007-L1133 VanDerWaalsContact OE1-CD2 3.27Å; L1129-L1133 WeakPolarHBondContact O-CB 3.26Å; L1129-L1133 PolarHBondContact O-N 2.93Å; E1130-L1133 PolarHBondContact O-N 2.9Å; S1131-L1133 PolarHBondContact O-N 3.42Å; L1133-E1135 VanDerWaalsContact C-N 3.26Å; L1133-E1135 PolarHBondContact O-N 3.32Å; L1133-K1136 PolarHBondContact O-N 3.24Å; L1133-K1136 VanDerWaalsContact O-N 3.15Å; L1133-L1137 HydrophobicContact CD1-CD1 4.5Å; L1133-L1137 HydrophobicContact CD2-CD1 4.43Å; L1133-L1137 HydrophobicContact CG-CD1 4.21Å; L1133-L1137 WeakPolarHBondContact O-CB 2.99Å; L1133-L1137 PolarHBondContact O-N 3.12Å |
| 1134 | N | 49 | Very low | 54.5 | Low | 88 Ų | 88 | 89 Ų | 89 | 47% | 0.471 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -58.4 | -39.3 | -176.3 | -85.1 | -31.9 | 0 | 0 | 0 | 111.8 | E1130 S1131 L1137 E1138 | E1130-N1134 PolarHBondContact O-N 2.94Å; S1131-N1134 PolarHBondContact O-N 2.94Å; N1134-L1137 PolarHBondContact O-N 3.01Å; N1134-E1138 PolarHBondContact O-N 3.02Å |
| 1135 | E | 61.6 | Low | 54.4 | Low | 141 Ų | 141 | 88.7 Ų | 88.7 | 66% | 0.659 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -59.4 | -48.5 | 175.4 | -168.1 | 170.8 | -136.4 | 0 | 0 | 112.1 | S1131 L1133 L1137 E1138 E1139 | S1131-E1135 PolarHBondContact O-N 3.43Å; L1133-E1135 VanDerWaalsContact C-N 3.26Å; L1133-E1135 PolarHBondContact O-N 3.32Å; E1135-L1137 VanDerWaalsContact C-N 3.31Å; E1135-L1137 PolarHBondContact O-N 3.08Å; E1135-E1138 PolarHBondContact O-N 3.12Å; E1135-E1139 PolarHBondContact O-N 3.25Å |
| 1136 | K | 53.7 | Low | 54.7 | Low | 136 Ų | 136 | 94.8 Ų | 94.8 | 59% | 0.591 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -65.2 | -32.2 | 174.2 | -73.9 | 173.6 | 180 | 166.9 | 0 | 113.5 | Q1132 L1133 E1139 E1140 | Q1132-K1136 WeakPolarHBondContact O-CG 3.44Å; Q1132-K1136 PolarHBondContact O-N 3Å; L1133-K1136 PolarHBondContact O-N 3.24Å; L1133-K1136 VanDerWaalsContact O-N 3.15Å; K1136-E1139 PolarHBondContact O-N 2.75Å; K1136-E1140 PolarHBondContact O-N 2.58Å |
| 1137 | L | 52.5 | Low | 55.2 | Low | 9 Ų | 9 | 97.2 Ų | 97.2 | 5% | 0.047 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -78.1 | -31 | -178.2 | -134.7 | 155.1 | 0 | 0 | 0 | 111.2 | Y996 K1000 L1133 N1134 E1135 Y1141 | Y996-L1137 HydrophobicContact CE1-CD2 4.2Å; Y996-L1137 WeakPolarHBondContact OH-CD2 3.1Å; Y996-L1137 PolarHBondContact OH-O 3.19Å; K1000-L1137 HydrophobicContact CB-CD2 4.34Å; K1000-L1137 HydrophobicContact CD-CD2 3.49Å; K1000-L1137 VanDerWaalsContact CD-CD2 3.49Å; K1000-L1137 HydrophobicContact CG-CD1 4.19Å; K1000-L1137 HydrophobicContact CG-CD2 3.79Å; L1133-L1137 HydrophobicContact CD1-CD1 4.5Å; L1133-L1137 HydrophobicContact CD2-CD1 4.43Å; L1133-L1137 HydrophobicContact CG-CD1 4.21Å; L1133-L1137 WeakPolarHBondContact O-CB 2.99Å; L1133-L1137 PolarHBondContact O-N 3.12Å; N1134-L1137 PolarHBondContact O-N 3.01Å; E1135-L1137 VanDerWaalsContact C-N 3.31Å; E1135-L1137 PolarHBondContact O-N 3.08Å; L1137-Y1141 WeakPolarHBondContact O-CB 3.32Å; L1137-Y1141 PolarHBondContact O-N 3.38Å |
| 1138 | E | 55.4 | Low | 55.5 | Low | 108 Ų | 108 | 93.9 Ų | 93.9 | 51% | 0.505 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -66.6 | -40.6 | 162.8 | -82.3 | -151.4 | -159.5 | 0 | 0 | 112.2 | N1134 E1135 Y1141 R1142 | N1134-E1138 PolarHBondContact O-N 3.02Å; E1135-E1138 PolarHBondContact O-N 3.12Å; E1138-Y1141 PolarHBondContact O-N 3.35Å; E1138-R1142 WeakPolarHBondContact O-CB 3.36Å; E1138-R1142 VanDerWaalsContact O-CG 3.24Å; E1138-R1142 WeakPolarHBondContact O-CG 3.44Å; E1138-R1142 PolarHBondContact O-N 2.73Å; E1138-R1142 IonicContact OE2-CZ 2.75Å; E1138-R1142 IonicContact OE2-NE 2.58Å; E1138-R1142 PolarHBondContact OE2-NE 3.28Å; E1138-R1142 IonicContact OE2-NH2 3.28Å; E1138-R1142 PolarHBondContact OE2-NH2 2.84Å |
| 1139 | E | 64.3 | Low | 55.7 | Low | 116 Ų | 116 | 90.9 Ų | 90.9 | 54% | 0.542 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66.5 | -44.2 | -179.3 | -168 | 169.9 | -150.1 | 0 | 0 | 112.5 | E1135 K1136 Y1141 R1142 Q1143 | E1135-E1139 PolarHBondContact O-N 3.25Å; K1136-E1139 PolarHBondContact O-N 2.75Å; E1139-Y1141 VanDerWaalsContact C-N 3.33Å; E1139-Y1141 PolarHBondContact O-N 3.3Å; E1139-R1142 PolarHBondContact O-N 3.42Å; E1139-Q1143 WeakPolarHBondContact O-CG 3.5Å; E1139-Q1143 PolarHBondContact O-N 3.1Å |
| 1140 | E | 55.1 | Low | 56.2 | Low | 71 Ų | 71 | 94 Ų | 94 | 33% | 0.332 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -58.8 | -43 | 170.1 | -85.1 | -160.6 | 149.8 | 0 | 0 | 111.5 | R935 Y996 K1136 R1142 Q1143 L1144 | R935-E1140 IonicContact CZ-OE1 2.59Å; R935-E1140 IonicContact CZ-OE2 3.18Å; R935-E1140 IonicContact NH1-OE1 3.73Å; R935-E1140 PolarHBondContact NH1-OE1 3.14Å; R935-E1140 IonicContact NH1-OE2 3.5Å; R935-E1140 VanDerWaalsContact NH2-CD 3.26Å; R935-E1140 IonicContact NH2-OE1 2.7Å; R935-E1140 PolarHBondContact NH2-OE1 3.44Å; R935-E1140 IonicContact NH2-OE2 2.96Å; R935-E1140 PolarHBondContact NH2-OE2 3.35Å; Y996-E1140 HydrophobicContact CE2-CB 4.3Å; Y996-E1140 WeakPolarHBondContact OH-CB 3.35Å; K1136-E1140 PolarHBondContact O-N 2.58Å; E1140-R1142 PolarHBondContact O-N 3.04Å; E1140-Q1143 PolarHBondContact O-N 2.69Å; E1140-Q1143 VanDerWaalsContact O-N 3.1Å; E1140-L1144 PolarHBondContact O-N 3.06Å; E1140-L1144 VanDerWaalsContact O-N 3.12Å |
| 1141 | Y | 54.8 | Low | 56.5 | Low | 125 Ų | 125 | 91.8 Ų | 91.8 | 49% | 0.49 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63.7 | -38.6 | 179.8 | -174.7 | -108.4 | 0 | 0 | 0 | 112.6 | Y996 L1137 E1138 E1139 Q1143 L1144 | Y996-Y1141 AromaticContact CD1-CD2 3.96Å; Y996-Y1141 HydrophobicContact CD1-CD2 3.96Å; Y996-Y1141 AromaticContact CE1-CD2 3.67Å; Y996-Y1141 HydrophobicContact CE1-CD2 3.67Å; Y996-Y1141 HydrophobicContact CE1-CG 4.32Å; Y996-Y1141 PolarHBondContact OH-N 3.24Å; L1137-Y1141 WeakPolarHBondContact O-CB 3.32Å; L1137-Y1141 PolarHBondContact O-N 3.38Å; E1138-Y1141 PolarHBondContact O-N 3.35Å; E1139-Y1141 VanDerWaalsContact C-N 3.33Å; E1139-Y1141 PolarHBondContact O-N 3.3Å; Y1141-Q1143 PolarHBondContact O-N 3.5Å; Y1141-L1144 PolarHBondContact O-N 3.3Å |
| 1142 | R | 61.1 | Low | 56.7 | Low | 181 Ų | 181 | 90.9 Ų | 90.9 | 68% | 0.683 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -67 | -23.5 | 174.5 | -69.4 | 166.7 | -170.1 | -132.8 | 8.7 | 112.7 | E1138 E1139 E1140 | E1138-R1142 WeakPolarHBondContact O-CB 3.36Å; E1138-R1142 VanDerWaalsContact O-CG 3.24Å; E1138-R1142 WeakPolarHBondContact O-CG 3.44Å; E1138-R1142 PolarHBondContact O-N 2.73Å; E1138-R1142 IonicContact OE2-CZ 2.75Å; E1138-R1142 IonicContact OE2-NE 2.58Å; E1138-R1142 PolarHBondContact OE2-NE 3.28Å; E1138-R1142 IonicContact OE2-NH2 3.28Å; E1138-R1142 PolarHBondContact OE2-NH2 2.84Å; E1139-R1142 PolarHBondContact O-N 3.42Å; E1140-R1142 PolarHBondContact O-N 3.04Å |
| 1143 | Q | 61.9 | Low | 56.8 | Low | 108 Ų | 108 | 89 Ų | 89 | 51% | 0.505 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -89.7 | -23.1 | 178.7 | -67.9 | -174.2 | 40.5 | 0 | 0 | 114.2 | E1139 E1140 Y1141 P1145 R1146 E1147 | E1139-Q1143 WeakPolarHBondContact O-CG 3.5Å; E1139-Q1143 PolarHBondContact O-N 3.1Å; E1140-Q1143 PolarHBondContact O-N 2.69Å; E1140-Q1143 VanDerWaalsContact O-N 3.1Å; Y1141-Q1143 PolarHBondContact O-N 3.5Å; Q1143-P1145 VanDerWaalsContact C-CD 3.44Å; Q1143-P1145 VanDerWaalsContact O-N 3.14Å; Q1143-R1146 WeakPolarHBondContact O-CB 3.39Å; Q1143-R1146 PolarHBondContact O-N 3.46Å; Q1143-E1147 PolarHBondContact O-N 3.07Å |
| 1144 | L | 58.5 | Low | 56.7 | Low | 11 Ų | 11 | 91.6 Ų | 91.6 | 6% | 0.058 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -44.4 | -46.2 | -177 | -125.2 | 74.6 | 0 | 0 | 0 | 115.3 | R992 Y996 E1140 Y1141 R1146 E1147 I1148 | R992-L1144 HydrophobicContact CG-CD2 4.03Å; R992-L1144 HydrophobicContact CG-CG 4.26Å; Y996-L1144 HydrophobicContact CD1-CD2 4.38Å; Y996-L1144 HydrophobicContact CD2-CD1 3.74Å; Y996-L1144 HydrophobicContact CD2-CD2 4.32Å; Y996-L1144 HydrophobicContact CE2-CD1 3.92Å; Y996-L1144 HydrophobicContact CG-CD1 4.23Å; Y996-L1144 HydrophobicContact CG-CD2 3.97Å; E1140-L1144 PolarHBondContact O-N 3.06Å; E1140-L1144 VanDerWaalsContact O-N 3.12Å; Y1141-L1144 PolarHBondContact O-N 3.3Å; L1144-R1146 PolarHBondContact O-N 3.05Å; L1144-E1147 PolarHBondContact O-N 3.13Å; L1144-E1147 VanDerWaalsContact O-N 3.14Å; L1144-I1148 WeakPolarHBondContact O-CD1 3.1Å; L1144-I1148 WeakPolarHBondContact O-CG1 3.21Å; L1144-I1148 PolarHBondContact O-N 2.62Å |
| 1145 | P | 56.2 | Low | 56.6 | Low | 74 Ų | 74 | 94 Ų | 94 | 48% | 0.481 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -63.3 | -26.9 | 179.9 | -23.5 | 35.4 | 0 | 0 | 0 | 114.1 | Q1143 S1149 | Q1143-P1145 VanDerWaalsContact C-CD 3.44Å; Q1143-P1145 VanDerWaalsContact O-N 3.14Å; P1145-S1149 PolarHBondContact O-N 2.9Å; P1145-S1149 PolarHBondContact O-OG 3.5Å |
| 1146 | R | 61.4 | Low | 56.1 | Low | 192 Ų | 192 | 92 Ų | 92 | 73% | 0.725 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -83.3 | -22.8 | 176.6 | -62.6 | -179.9 | 177.3 | 173.4 | -0.6 | 113.1 | Q1143 L1144 S1149 Q1150 | Q1143-R1146 WeakPolarHBondContact O-CB 3.39Å; Q1143-R1146 PolarHBondContact O-N 3.46Å; L1144-R1146 PolarHBondContact O-N 3.05Å; R1146-S1149 PolarHBondContact O-OG 3.5Å; R1146-Q1150 PolarHBondContact O-NE2 2.89Å |
| 1147 | E | 62.6 | Low | 55.7 | Low | 66 Ų | 66 | 92.9 Ų | 92.9 | 31% | 0.308 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -71.5 | -44.5 | 170.6 | -172.7 | -172.8 | -141.9 | 0 | 0 | 109.8 | R992 Q1143 L1144 Q1150 Y1151 | R992-E1147 IonicContact CZ-OE2 3.6Å; R992-E1147 IonicContact NE-OE2 2.66Å; R992-E1147 PolarHBondContact NE-OE2 3.04Å; R992-E1147 IonicContact NH2-OE1 3.59Å; R992-E1147 IonicContact NH2-OE2 2.68Å; R992-E1147 PolarHBondContact NH2-OE2 3.17Å; Q1143-E1147 PolarHBondContact O-N 3.07Å; L1144-E1147 PolarHBondContact O-N 3.13Å; L1144-E1147 VanDerWaalsContact O-N 3.14Å; E1147-Q1150 PolarHBondContact O-N 3.24Å; E1147-Y1151 HydrophobicContact CG-CE2 4.48Å; E1147-Y1151 VanDerWaalsContact O-CD2 3.31Å; E1147-Y1151 WeakPolarHBondContact O-CD2 3.4Å; E1147-Y1151 WeakPolarHBondContact O-CE2 3.14Å |
| 1148 | I | 57.8 | Low | 55.2 | Low | 17 Ų | 17 | 99.5 Ų | 99.5 | 9% | 0.087 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -70.3 | -36.4 | -174.1 | -61 | 158.4 | 0 | 0 | 0 | 111.9 | M985 L989 R992 L1144 Q1150 Y1151 | M985-I1148 HydrophobicContact SD-CG2 3.75Å; L989-I1148 HydrophobicContact CD2-CD1 3.48Å; L989-I1148 VanDerWaalsContact CD2-CD1 3.48Å; L989-I1148 HydrophobicContact CG-CD1 4.17Å; L989-I1148 HydrophobicContact CG-CG2 4.33Å; R992-I1148 HydrophobicContact CB-CD1 3.74Å; R992-I1148 HydrophobicContact CB-CG1 4.2Å; R992-I1148 HydrophobicContact CG-CD1 3.64Å; R992-I1148 HydrophobicContact CG-CG1 3.91Å; L1144-I1148 WeakPolarHBondContact O-CD1 3.1Å; L1144-I1148 WeakPolarHBondContact O-CG1 3.21Å; L1144-I1148 PolarHBondContact O-N 2.62Å; I1148-Q1150 PolarHBondContact O-N 2.71Å; I1148-Y1151 PolarHBondContact O-N 3.39Å |
| 1149 | S | 56.7 | Low | 54.6 | Low | 54 Ų | 54 | 103.7 Ų | 103.7 | 38% | 0.378 | 50% | 0.499 | S | S | . | . | G | 310 helix | trans | -65.9 | -19.7 | 179.5 | 61.5 | 0 | 0 | 0 | 0 | 114 | P1145 R1146 Y1151 L1152 | P1145-S1149 PolarHBondContact O-N 2.9Å; P1145-S1149 PolarHBondContact O-OG 3.5Å; R1146-S1149 PolarHBondContact O-OG 3.5Å; S1149-Y1151 PolarHBondContact O-N 3.09Å; S1149-L1152 WeakPolarHBondContact O-CB 3.3Å; S1149-L1152 PolarHBondContact O-N 2.99Å |
| 1150 | Q | 59.5 | Low | 53.2 | Low | 152 Ų | 152 | 101.8 Ų | 101.8 | 71% | 0.71 | 51% | 0.51 | S | S | * | . | G | 310 helix | trans | -68.4 | -12.7 | 172.6 | -62.4 | 176 | 24.4 | 0 | 0 | 113.2 | R1146 E1147 I1148 | R1146-Q1150 PolarHBondContact O-NE2 2.89Å; E1147-Q1150 PolarHBondContact O-N 3.24Å; I1148-Q1150 PolarHBondContact O-N 2.71Å |
| 1151 | Y | 55 | Low | 52.1 | Low | 80 Ų | 80 | 103.2 Ų | 103.2 | 31% | 0.314 | 53% | 0.533 | S | S | . | . | G | 310 helix | trans | -95.7 | 11.8 | 176.1 | -58.6 | -89.5 | 0 | 0 | 0 | 113.3 | R950 E1147 I1148 S1149 | R950-Y1151 PolarHBondContact NH2-O 3.3Å; E1147-Y1151 HydrophobicContact CG-CE2 4.48Å; E1147-Y1151 VanDerWaalsContact O-CD2 3.31Å; E1147-Y1151 WeakPolarHBondContact O-CD2 3.4Å; E1147-Y1151 WeakPolarHBondContact O-CE2 3.14Å; I1148-Y1151 PolarHBondContact O-N 3.39Å; S1149-Y1151 PolarHBondContact O-N 3.09Å |
| 1152 | L | 53 | Low | 51 | Low | 58 Ų | 58 | 103 Ų | 103 | 30% | 0.304 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -90 | 149.4 | 167.1 | -83.7 | 156.6 | 0 | 0 | 0 | 111.7 | M985 S1149 | M985-L1152 HydrophobicContact CE-CD1 3.99Å; M985-L1152 HydrophobicContact CE-CD2 3.83Å; M985-L1152 HydrophobicContact CE-CG 3.63Å; M985-L1152 HydrophobicContact SD-CD1 4.38Å; S1149-L1152 WeakPolarHBondContact O-CB 3.3Å; S1149-L1152 PolarHBondContact O-N 2.99Å |
| 1153 | P | 53.4 | Low | 49.6 | Very low | 51 Ų | 51 | 103.1 Ų | 103.1 | 33% | 0.331 | 56% | 0.56 | S | S | . | * | trans | -69.3 | 136.2 | 163.4 | -13.4 | 29.4 | 0 | 0 | 0 | 111 | D1155 | P1153-D1155 PolarHBondContact O-N 3.24Å; P1153-D1155 VanDerWaalsContact O-N 3.14Å | ||
| 1154 | S | 46.4 | Very low | 48 | Very low | 85 Ų | 85 | 101 Ų | 101 | 59% | 0.594 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -62 | -21.8 | -177.1 | -42.7 | 0 | 0 | 0 | 0 | 114.5 | L1156 Q1157 | S1154-L1156 PolarHBondContact O-N 2.71Å; S1154-L1156 VanDerWaalsContact O-N 3.11Å; S1154-Q1157 PolarHBondContact O-N 2.9Å; S1154-Q1157 VanDerWaalsContact O-N 3.1Å |
| 1155 | D | 46.9 | Very low | 46.6 | Very low | 139 Ų | 139 | 106.4 Ų | 106.4 | 74% | 0.743 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -64.8 | -19.7 | -167.3 | -55.1 | -50.2 | 0 | 0 | 0 | 114.7 | P1153 | P1153-D1155 PolarHBondContact O-N 3.24Å; P1153-D1155 VanDerWaalsContact O-N 3.14Å |
| 1156 | L | 50.9 | Low | 46.5 | Very low | 98 Ų | 98 | 108.2 Ų | 108.2 | 51% | 0.513 | 62% | 0.617 | S | S | . | * | G | 310 helix | trans | -85.2 | -18.4 | 177 | -79.6 | 168.6 | 0 | 0 | 0 | 114 | S1154 | S1154-L1156 PolarHBondContact O-N 2.71Å; S1154-L1156 VanDerWaalsContact O-N 3.11Å |
| 1157 | Q | 46.4 | Very low | 44.9 | Very low | 156 Ų | 156 | 107.7 Ų | 107.7 | 73% | 0.729 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -18.6 | -179 | -74.1 | -176.5 | -25.4 | 0 | 0 | 113.6 | S1154 | S1154-Q1157 PolarHBondContact O-N 2.9Å; S1154-Q1157 VanDerWaalsContact O-N 3.1Å |
| 1158 | N | 41.7 | Very low | 43.4 | Very low | 147 Ų | 147 | 110 Ų | 110 | 79% | 0.786 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | 5.6 | -175.4 | -76.9 | -26.6 | 0 | 0 | 0 | 115.1 | ||
| 1159 | K | 42.2 | Very low | 41.9 | Very low | 197 Ų | 197 | 112.5 Ų | 112.5 | 86% | 0.857 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -143.6 | 72.7 | 176.9 | -72.1 | -170.2 | 177.9 | -179.7 | 0 | 112.6 | ||
| 1160 | G | 35.6 | Very low | 40.5 | Very low | 75 Ų | 75 | 118.6 Ų | 118.6 | 77% | 0.773 | 71% | 0.709 | S | S | * | * | trans | 177.7 | 48.8 | 179 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1161 | A | 32.7 | Very low | 39.2 | Very low | 101 Ų | 101 | 115.1 Ų | 115.1 | 84% | 0.835 | 70% | 0.701 | S | S | * | * | trans | -81.9 | 146.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1162 | C | 32.1 | Very low | 37.9 | Very low | 122 Ų | 122 | 117.7 Ų | 117.7 | 82% | 0.824 | 72% | 0.72 | S | S | * | * | trans | 68.1 | 103.9 | 171.2 | -157.8 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1163 | M | 30.4 | Very low | 37.1 | Very low | 183 Ų | 183 | 123 Ų | 123 | 90% | 0.901 | 74% | 0.743 | S | S | * | * | -154.6 | 153 | 116.4 | -92 | -56.8 | -84.1 | 0 | 0 | 107.3 | |||||
| 1164 | G | 29 | Very low | 35.9 | Very low | 62 Ų | 62 | 126 Ų | 126 | 64% | 0.639 | 77% | 0.765 | S | S | * | * | trans | -154.1 | 166.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1165 | S | 28.6 | Very low | 35 | Very low | 126 Ų | 126 | 127.2 Ų | 127.2 | 88% | 0.881 | 77% | 0.774 | S | S | * | * | trans | 71 | 162.3 | 175.9 | -96.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1166 | P | 53.6 | Low | 34.9 | Very low | 112 Ų | 112 | 125.6 Ų | 125.6 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | -126.9 | 176 | -128.7 | 42.7 | -30.4 | 0 | 0 | 0 | 114.7 | |||||
| 1167 | L | 27.8 | Very low | 33.8 | Very low | 181 Ų | 181 | 127 Ų | 127 | 95% | 0.948 | 78% | 0.784 | S | S | * | * | trans | -129.2 | 110.1 | 164.7 | -95.1 | 166.7 | 0 | 0 | 0 | 111.5 | ||||
| 1168 | S | 31.1 | Very low | 33.2 | Very low | 113 Ų | 113 | 124.5 Ų | 124.5 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | -99.9 | 157.6 | 166.9 | 53.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 1169 | G | 27.7 | Very low | 32.6 | Very low | 71 Ų | 71 | 123.3 Ų | 123.3 | 73% | 0.732 | 79% | 0.787 | S | S | * | * | trans | 153.9 | 105.9 | 161.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1170 | L | 27.2 | Very low | 32 | Very low | 181 Ų | 181 | 120.3 Ų | 120.3 | 95% | 0.948 | 79% | 0.785 | S | S | * | * | -162.2 | 167.1 | 95.1 | -96.8 | 166.2 | 0 | 0 | 0 | 110 | |||||
| 1171 | S | 30.6 | Very low | 32.6 | Very low | 79 Ų | 79 | 121.7 Ų | 121.7 | 55% | 0.552 | 78% | 0.78 | S | S | * | * | trans | -126.8 | 169.1 | -156.1 | 54.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 1172 | N | 28.2 | Very low | 32.7 | Very low | 135 Ų | 135 | 121.7 Ų | 121.7 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | -174.6 | 131.2 | 109.3 | -85.3 | -13.8 | 0 | 0 | 0 | 114.2 | |||||
| 1173 | H | 36 | Very low | 32.8 | Very low | 168 Ų | 168 | 123 Ų | 123 | 78% | 0.778 | 77% | 0.773 | S | S | * | * | trans | 17.2 | 151 | 138.8 | -52.3 | -66.8 | 0 | 0 | 0 | 121.5 | ||||
| 1174 | S | 28.1 | Very low | 32.7 | Very low | 114 Ų | 114 | 119.4 Ų | 119.4 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | cis | -154.4 | 160.6 | 18 | 41.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1175 | S | 27.9 | Very low | 32.7 | Very low | 111 Ų | 111 | 121.7 Ų | 121.7 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | -79 | -171.8 | 170.8 | -21.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1176 | P | 45.1 | Very low | 32.8 | Very low | 105 Ų | 105 | 121.9 Ų | 121.9 | 68% | 0.682 | 77% | 0.767 | S | S | * | * | cis | -149.7 | -178.5 | 30.8 | 43.5 | -21.3 | 0 | 0 | 0 | 119.7 | ||||
| 1177 | T | 28.6 | Very low | 32.8 | Very low | 127 Ų | 127 | 121.7 Ų | 121.7 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | trans | 64.3 | 152.8 | 152.9 | 45 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1178 | S | 32.7 | Very low | 32.7 | Very low | 104 Ų | 104 | 124.6 Ų | 124.6 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | cis | 178.3 | 130.4 | -36.3 | 50.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 1179 | S | 28.8 | Very low | 32.7 | Very low | 122 Ų | 122 | 127.7 Ų | 127.7 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | trans | -171.9 | 154.2 | 145 | 50.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1180 | T | 29.3 | Very low | 33.6 | Very low | 135 Ų | 135 | 129.9 Ų | 129.9 | 83% | 0.828 | 77% | 0.765 | S | S | * | * | trans | -116.1 | -168.6 | -176.5 | 52.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1181 | P | 48.4 | Very low | 33.7 | Very low | 103 Ų | 103 | 131.9 Ų | 131.9 | 67% | 0.669 | 76% | 0.76 | S | S | * | * | cis | -148 | 156 | 6.9 | 42 | -21.1 | 0 | 0 | 0 | 120.2 | ||||
| 1182 | S | 34.7 | Very low | 33.8 | Very low | 101 Ų | 101 | 131.7 Ų | 131.7 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | trans | 68.3 | 159.9 | 134.7 | 80.7 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1183 | N | 34.3 | Very low | 33.9 | Very low | 150 Ų | 150 | 134.1 Ų | 134.1 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | cis | -166.8 | 175.3 | -15.1 | -118.8 | -3.6 | 0 | 0 | 0 | 113.4 | ||||
| 1184 | C | 28.5 | Very low | 33.7 | Very low | 107 Ų | 107 | 131.6 Ų | 131.6 | 72% | 0.723 | 76% | 0.755 | S | S | * | * | trans | 85.7 | 117.8 | 146.2 | -78 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1185 | S | 29 | Very low | 33.9 | Very low | 111 Ų | 111 | 134 Ų | 134 | 78% | 0.776 | 75% | 0.752 | S | S | * | * | 91.8 | 98.3 | 125.9 | -58.6 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 1186 | T | 31.9 | Very low | 33.9 | Very low | 130 Ų | 130 | 133.6 Ų | 133.6 | 80% | 0.798 | 75% | 0.748 | S | S | * | * | trans | -58 | 169.7 | 136.3 | 53.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1187 | P | 51.9 | Low | 33.2 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 70% | 0.695 | 75% | 0.753 | S | S | * | * | cis | -156 | -178.3 | 31.2 | 45.1 | -23 | 0 | 0 | 0 | 121.2 | ||||
| 1188 | W | 25.8 | Very low | 33.2 | Very low | 243 Ų | 243 | 135.7 Ų | 135.7 | 92% | 0.92 | 75% | 0.746 | S | S | * | * | trans | 102.4 | 154.2 | 140.2 | -91.7 | 27.3 | 0 | 0 | 0 | 124.9 | ||||
| 1189 | F | 32.2 | Very low | 33.2 | Very low | 178 Ų | 178 | 136.8 Ų | 136.8 | 78% | 0.781 | 74% | 0.744 | S | S | * | * | trans | -85.9 | 168.1 | -173.9 | -80.9 | -84.4 | 0 | 0 | 0 | 112.7 | ||||
| 1190 | P | 45.8 | Very low | 33.3 | Very low | 116 Ų | 116 | 137.5 Ų | 137.5 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | -136 | 169.4 | 54.8 | 31.1 | -6.6 | 0 | 0 | 0 | 115.1 | |||||
| 1191 | R | 30.4 | Very low | 33.5 | Very low | 224 Ų | 224 | 138.7 Ų | 138.7 | 85% | 0.845 | 74% | 0.738 | S | S | * | * | 63.7 | 140.8 | 50.8 | -86.2 | -162.9 | -176.8 | -169.3 | 2.3 | 113.5 | |||||
| 1192 | S | 32.2 | Very low | 32.6 | Very low | 74 Ų | 74 | 136.6 Ų | 136.6 | 52% | 0.517 | 74% | 0.736 | S | S | . | * | cis | -177.3 | -179.7 | -6.6 | 40.9 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1193 | F | 30.8 | Very low | 32.6 | Very low | 187 Ų | 187 | 137.1 Ų | 137.1 | 82% | 0.82 | 74% | 0.739 | S | S | * | * | trans | 88.7 | 155.1 | 163.5 | -60.5 | -82.8 | 0 | 0 | 0 | 119 | ||||
| 1194 | D | 31 | Very low | 32.4 | Very low | 114 Ų | 114 | 137.2 Ų | 137.2 | 61% | 0.61 | 74% | 0.739 | S | S | * | * | cis | -177.4 | 170.3 | -28.5 | -169.9 | 18.5 | 0 | 0 | 0 | 111.1 | ||||
| 1195 | K | 32.4 | Very low | 32.5 | Very low | 166 Ų | 166 | 139.3 Ų | 139.3 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | trans | 72.1 | 101 | 152 | -88.2 | 160.1 | -170 | 165.4 | 0 | 123.9 | ||||
| 1196 | S | 28.9 | Very low | 32.6 | Very low | 101 Ų | 101 | 140 Ų | 140 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | 85.7 | 142.2 | 101.2 | 75.3 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 1197 | M | 29.1 | Very low | 32.5 | Very low | 158 Ų | 158 | 138.2 Ų | 138.2 | 78% | 0.778 | 73% | 0.725 | S | S | * | * | trans | 104.4 | 143.3 | 149.9 | -61.6 | -162.4 | 69.5 | 0 | 0 | 121.3 | ||||
| 1198 | D | 28.9 | Very low | 31.4 | Very low | 119 Ų | 119 | 141.1 Ų | 141.1 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | trans | 72.3 | 99.7 | 155.4 | -64 | -31.7 | 0 | 0 | 0 | 125.4 | ||||
| 1199 | N | 32.1 | Very low | 31.6 | Very low | 127 Ų | 127 | 133.9 Ų | 133.9 | 68% | 0.679 | 72% | 0.718 | S | S | * | * | 60.2 | 131.1 | 108.7 | -73.4 | -47.2 | 0 | 0 | 0 | 124.7 | |||||
| 1200 | N | 32.3 | Very low | 31.4 | Very low | 137 Ų | 137 | 130.1 Ų | 130.1 | 73% | 0.733 | 71% | 0.714 | S | S | * | * | trans | 73.8 | 150.1 | 142.2 | -67.9 | -20.4 | 0 | 0 | 0 | 120.3 | ||||
| 1201 | L | 33.8 | Very low | 30.6 | Very low | 160 Ų | 160 | 129.1 Ų | 129.1 | 84% | 0.838 | 71% | 0.71 | S | S | * | * | cis | -155.3 | 159.7 | 1 | -154 | 72.9 | 0 | 0 | 0 | 113.3 | ||||
| 1202 | G | 28.4 | Very low | 30.5 | Very low | 59 Ų | 59 | 124 Ų | 124 | 61% | 0.608 | 70% | 0.704 | S | S | * | * | trans | 104 | 102.3 | 155 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1203 | S | 34.1 | Very low | 30.4 | Very low | 111 Ų | 111 | 126.6 Ų | 126.6 | 78% | 0.776 | 72% | 0.716 | S | S | * | * | 80 | 142.6 | 57.3 | 83.1 | 0 | 0 | 0 | 0 | 113 | |||||
| 1204 | L | 30.5 | Very low | 31.4 | Very low | 153 Ų | 153 | 122.9 Ų | 122.9 | 80% | 0.801 | 71% | 0.711 | S | S | * | * | cis | -152 | 171.2 | 19.4 | -77.1 | 173 | 0 | 0 | 0 | 109.7 | ||||
| 1205 | H | 31.9 | Very low | 31.1 | Very low | 150 Ų | 150 | 121.6 Ų | 121.6 | 69% | 0.694 | 72% | 0.716 | S | S | * | * | cis | -164.6 | 167.8 | -36.5 | -137.4 | -114.4 | 0 | 0 | 0 | 110.8 | ||||
| 1206 | D | 30.7 | Very low | 30.9 | Very low | 127 Ų | 127 | 122 Ų | 122 | 68% | 0.679 | 73% | 0.725 | S | S | * | * | trans | 47.2 | 108.4 | 153.3 | -76.8 | -27 | 0 | 0 | 0 | 127.2 | ||||
| 1207 | S | 29.9 | Very low | 30.8 | Very low | 91 Ų | 91 | 122.3 Ų | 122.3 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | 82.4 | 153.8 | 103.3 | 91.3 | 0 | 0 | 0 | 0 | 125 | |||||
| 1208 | M | 28.9 | Very low | 30.7 | Very low | 169 Ų | 169 | 123.1 Ų | 123.1 | 83% | 0.833 | 73% | 0.729 | S | S | * | * | trans | 64.3 | 161.6 | 158.9 | -60.2 | -59.4 | 175.8 | 0 | 0 | 119.8 | ||||
| 1209 | S | 29.1 | Very low | 30.7 | Very low | 91 Ų | 91 | 122.7 Ų | 122.7 | 64% | 0.636 | 74% | 0.736 | S | S | * | * | cis | -162.6 | 161.5 | -44.4 | 57.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1210 | S | 29.2 | Very low | 30.6 | Very low | 98 Ų | 98 | 124.4 Ų | 124.4 | 69% | 0.685 | 74% | 0.739 | S | S | * | * | trans | 24.9 | 124.1 | 152.1 | 57.4 | 0 | 0 | 0 | 0 | 124 | ||||
| 1211 | S | 27.8 | Very low | 30.5 | Very low | 96 Ų | 96 | 124.3 Ų | 124.3 | 67% | 0.671 | 74% | 0.738 | S | S | * | * | 83 | 109.5 | 120.6 | 72.4 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 1212 | T | 29.2 | Very low | 30.2 | Very low | 117 Ų | 117 | 122.2 Ų | 122.2 | 72% | 0.718 | 74% | 0.737 | S | S | * | * | 65.2 | 118.5 | 125.3 | 59.8 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 1213 | T | 29.3 | Very low | 30.3 | Very low | 127 Ų | 127 | 128.5 Ų | 128.5 | 78% | 0.779 | 75% | 0.748 | S | S | * | * | trans | 71.1 | 160.3 | 133.2 | 55.3 | 0 | 0 | 0 | 0 | 121 | ||||
| 1214 | P | 51.2 | Low | 30.2 | Very low | 110 Ų | 110 | 134.2 Ų | 134.2 | 71% | 0.714 | 77% | 0.77 | S | S | * | * | cis | -144.7 | 178.7 | -36.5 | 40.2 | -23.4 | 0 | 0 | 0 | 116.3 | ||||
| 1215 | A | 26.3 | Very low | 30.2 | Very low | 86 Ų | 86 | 133.3 Ų | 133.3 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | trans | 82.3 | 149 | 141.1 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1216 | L | 26.5 | Very low | 30.1 | Very low | 175 Ų | 175 | 132.4 Ų | 132.4 | 92% | 0.916 | 77% | 0.772 | S | S | * | * | trans | 67.5 | 153.7 | 170.4 | -56.2 | 171.6 | 0 | 0 | 0 | 115.2 | ||||
| 1217 | S | 26.9 | Very low | 30 | Very low | 107 Ų | 107 | 132.7 Ų | 132.7 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | cis | -143.9 | -173.1 | 6 | 59.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1218 | E | 27.3 | Very low | 30 | Very low | 175 Ų | 175 | 135.2 Ų | 135.2 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -57.9 | -178.6 | -175.9 | -57.2 | 161.9 | 119.2 | 0 | 0 | 118.4 | ||||
| 1219 | S | 30.1 | Very low | 30.1 | Very low | 111 Ų | 111 | 133.1 Ų | 133.1 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | 76.9 | 150.1 | 159.9 | 80.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1220 | E | 30.2 | Very low | 30.2 | Very low | 162 Ų | 162 | 135.9 Ų | 135.9 | 76% | 0.757 | 79% | 0.793 | S | S | * | * | cis | -159.9 | 176.2 | -18.7 | -122 | -172.1 | 162.1 | 0 | 0 | 109.8 | ||||
| 1221 | L | 29.1 | Very low | 30.2 | Very low | 135 Ų | 135 | 138.6 Ų | 138.6 | 71% | 0.707 | 80% | 0.8 | S | S | * | * | trans | 37.3 | 126.3 | 149.9 | -62.5 | 165.8 | 0 | 0 | 0 | 119 | ||||
| 1222 | S | 28.2 | Very low | 30.4 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 81% | 0.811 | 81% | 0.81 | S | S | * | * | -177.4 | 173.2 | 62.7 | 37.3 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1223 | F | 30.9 | Very low | 30.5 | Very low | 192 Ų | 192 | 143.9 Ų | 143.9 | 84% | 0.842 | 82% | 0.818 | S | S | * | * | trans | -69.5 | 135.6 | -178.1 | -76.4 | -112.9 | 0 | 0 | 0 | 114.1 | ||||
| 1224 | N | 30.4 | Very low | 30.6 | Very low | 231 Ų | 231 | 145.5 Ų | 145.5 | 100% | 1.235 | 82% | 0.821 | S | S | * | * | -168.9 | 0 | 103.1 | -91.5 | -27 | 0 | 0 | 0 | 111.4 |
Retrieved 1,224 of 1,224 residues in 1549.9 ms
(Link to these results)