| 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 | 61 | Low | 85.5 | Confident | 210 Ų | 210 | 72.4 Ų | 72.4 | 100% | 1.034 | 42% | 0.416 | S | S | * | . | 0 | 125.8 | 0 | -76.5 | -178.4 | 165.2 | 0 | 0 | 106 | |||||
| 2 | S | 78.8 | Confident | 85.9 | Confident | 52 Ų | 52 | 67.4 Ų | 67.4 | 36% | 0.364 | 39% | 0.387 | S | S | . | . | trans | -61.6 | 136.4 | 173.4 | -167.8 | 0 | 0 | 0 | 0 | 108.6 | E32 T44 G45 | S2-E32 VanDerWaalsContact CB-OE2 3.31Å; S2-E32 WeakPolarHBondContact CB-OE2 3.22Å; S2-E32 PolarHBondContact OG-OE2 2.64Å; S2-T44 VanDerWaalsContact OG-CG2 3.31Å; S2-T44 WeakPolarHBondContact OG-CG2 3.4Å; S2-G45 WeakPolarHBondContact CA-O 3.39Å; S2-G45 PolarHBondContact OG-N 3.16Å | ||
| 3 | Q | 84.8 | Confident | 85.7 | Confident | 129 Ų | 129 | 70.1 Ų | 70.1 | 60% | 0.603 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127 | 142.5 | 179.5 | -52 | -175 | 7.4 | 0 | 0 | 108 | T44 G45 | Q3-T44 WeakPolarHBondContact O-CA 3.32Å; Q3-G45 PolarHBondContact N-O 2.79Å; Q3-G45 PolarHBondContact O-N 3.02Å |
| 4 | T | 88.8 | Confident | 85.8 | Confident | 87 Ų | 87 | 69 Ų | 69 | 53% | 0.534 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 124.6 | 171.5 | -54.1 | 0 | 0 | 0 | 0 | 108.8 | V43 T44 | T4-V43 CarbonylContact C-O 3.53Å; T4-V43 WeakPolarHBondContact CA-O 3.38Å; T4-T44 PolarHBondContact OG1-OG1 2.96Å |
| 5 | I | 90.3 | Very high | 85.6 | Confident | 24 Ų | 24 | 68.3 Ų | 68.3 | 12% | 0.123 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 124.1 | 179 | -59.1 | 177.6 | 0 | 0 | 0 | 108.1 | L7 V43 A47 A49 L52 | I5-L7 HydrophobicContact CG2-CD2 4Å; I5-L7 HydrophobicContact CG2-CG 4.25Å; I5-V43 PolarHBondContact N-O 2.95Å; I5-V43 PolarHBondContact O-N 3.3Å; I5-A47 VanDerWaalsContact CD1-O 3.29Å; I5-A47 WeakPolarHBondContact CD1-O 3.29Å; I5-A49 HydrophobicContact CD1-CB 4.27Å; I5-A49 HydrophobicContact CG2-CB 3.95Å; I5-L52 HydrophobicContact CB-CD1 4.1Å; I5-L52 HydrophobicContact CD1-CD1 3.97Å; I5-L52 HydrophobicContact CG2-CD1 4.28Å |
| 6 | D | 92.1 | Very high | 85.6 | Confident | 71 Ų | 71 | 72 Ų | 72 | 38% | 0.38 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 123.8 | 177 | -60.7 | -26.2 | 0 | 0 | 0 | 110 | H42 S66 | D6-H42 IonicContact OD1-CE1 3.63Å; D6-H42 IonicContact OD1-CG 2.76Å; D6-H42 IonicContact OD1-ND1 3.6Å; D6-H42 PolarHBondContact OD1-ND1 3.2Å; D6-S66 WeakPolarHBondContact O-CB 3Å; D6-S66 PolarHBondContact O-N 3.38Å |
| 7 | L | 91.7 | Very high | 85.9 | Confident | 2 Ų | 2 | 68.6 Ų | 68.6 | 1% | 0.01 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 137.4 | 179.1 | -60.3 | 174.8 | 0 | 0 | 0 | 109.9 | I5 E40 A41 L52 I53 I56 S64 V65 | I5-L7 HydrophobicContact CG2-CD2 4Å; I5-L7 HydrophobicContact CG2-CG 4.25Å; L7-E40 CarbonylContact O-C 3Å; L7-E40 VanDerWaalsContact O-CA 3.29Å; L7-E40 WeakPolarHBondContact O-CA 3.35Å; L7-A41 HydrophobicContact CB-CB 4.34Å; L7-A41 PolarHBondContact N-O 3Å; L7-A41 PolarHBondContact O-N 3.46Å; L7-L52 HydrophobicContact CD1-CB 3.75Å; L7-L52 HydrophobicContact CD1-CD1 4.35Å; L7-I53 HydrophobicContact CD1-CG1 4.48Å; L7-I53 HydrophobicContact CD2-CD1 4.21Å; L7-I53 HydrophobicContact CD2-CG1 3.94Å; L7-I56 HydrophobicContact CD1-CD1 3.56Å; L7-S64 CarbonylContact C-O 3.49Å; L7-S64 VanDerWaalsContact CA-O 3.32Å; L7-S64 WeakPolarHBondContact CA-O 3.49Å; L7-V65 HydrophobicContact CD2-CG2 4.28Å |
| 8 | T | 92.1 | Very high | 86.2 | Confident | 49 Ų | 49 | 66.2 Ų | 66.2 | 30% | 0.301 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 129.4 | 167.5 | -38.5 | 0 | 0 | 0 | 0 | 107.7 | T39 A63 S64 | T8-T39 WeakPolarHBondContact CA-O 3.29Å; T8-A63 CarbonylContact O-C 3.57Å; T8-A63 VanDerWaalsContact O-CA 3.26Å; T8-A63 WeakPolarHBondContact O-CA 3.49Å; T8-S64 PolarHBondContact N-O 3.35Å; T8-S64 PolarHBondContact O-N 2.91Å |
| 9 | L | 90.7 | Very high | 86.5 | Confident | 4 Ų | 4 | 69.3 Ų | 69.3 | 2% | 0.021 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 140.3 | -176.5 | -57.6 | 176.2 | 0 | 0 | 0 | 111.2 | L12 V36 T39 A41 I56 A63 | L9-L12 HydrophobicContact CB-CD1 3.88Å; L9-L12 HydrophobicContact CD1-CD1 4.23Å; L9-L12 HydrophobicContact CD1-CD2 3.93Å; L9-V36 HydrophobicContact CD1-CG1 3.72Å; L9-T39 PolarHBondContact N-O 3.31Å; L9-A41 HydrophobicContact CD1-CB 3.96Å; L9-A41 HydrophobicContact CD2-CB 4.06Å; L9-A41 HydrophobicContact CG-CB 4.14Å; L9-I56 HydrophobicContact CD2-CD1 3.76Å; L9-I56 HydrophobicContact CD2-CG2 4.07Å; L9-A63 HydrophobicContact CD2-CB 4.05Å |
| 10 | D | 86.4 | Confident | 86.7 | Confident | 107 Ų | 107 | 72 Ų | 72 | 57% | 0.572 | 41% | 0.409 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 138.8 | 174.2 | -82.9 | -45.1 | 0 | 0 | 0 | 111.4 | D62 | D10-D62 HydrophobicContact CB-CB 4.18Å; D10-D62 PolarHBondContact N-O 3.13Å; D10-D62 PolarHBondContact O-N 2.9Å; D10-D62 VanDerWaalsContact O-N 3.09Å |
| 11 | G | 83.6 | Confident | 87 | Confident | 61 Ų | 61 | 68.6 Ų | 68.6 | 63% | 0.629 | 39% | 0.389 | S | S | * | . | S | Bend | trans | 95.8 | 2.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y61 | G11-Y61 WeakPolarHBondContact O-CD1 3.31Å; G11-Y61 WeakPolarHBondContact O-CE1 3.49Å |
| 12 | L | 90.3 | Very high | 88.6 | Confident | 13 Ų | 13 | 62.1 Ų | 62.1 | 7% | 0.068 | 36% | 0.356 | C | S | . | . | trans | -83.6 | 131.8 | 171.2 | -68.6 | 73.5 | 0 | 0 | 0 | 109.3 | L9 C17 V18 V21 V36 I38 Y61 | L9-L12 HydrophobicContact CB-CD1 3.88Å; L9-L12 HydrophobicContact CD1-CD1 4.23Å; L9-L12 HydrophobicContact CD1-CD2 3.93Å; L12-C17 HydrophobicContact CB-CB 3.9Å; L12-C17 HydrophobicContact CD2-CB 4.39Å; L12-C17 HydrophobicContact CG-CB 3.88Å; L12-V18 HydrophobicContact CD2-CB 4.48Å; L12-V18 HydrophobicContact CD2-CG2 3.96Å; L12-V21 HydrophobicContact CD1-CG2 4.37Å; L12-V21 HydrophobicContact CD2-CB 4.46Å; L12-V21 HydrophobicContact CD2-CG2 4.06Å; L12-V21 HydrophobicContact CG-CG2 4.38Å; L12-V36 HydrophobicContact CD2-CG1 4.29Å; L12-I38 HydrophobicContact CB-CG2 4.49Å; L12-I38 VanDerWaalsContact O-CG2 3.31Å; L12-I38 WeakPolarHBondContact O-CG2 3.33Å; L12-Y61 HydrophobicContact CD1-CD1 3.6Å; L12-Y61 HydrophobicContact CD1-CE1 4.32Å; L12-Y61 HydrophobicContact CD1-CG 3.72Å; L12-Y61 HydrophobicContact CG-CD1 3.93Å; L12-Y61 HydrophobicContact CG-CE1 4.14Å; L12-Y61 HydrophobicContact CG-CG 4.27Å | ||
| 13 | S | 84 | Confident | 89.3 | Confident | 102 Ų | 102 | 63.9 Ų | 63.9 | 71% | 0.713 | 36% | 0.358 | S | S | * | . | trans | -129.6 | -5.7 | -177.6 | 67.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 14 | C | 86.4 | Confident | 89.7 | Confident | 55 Ų | 55 | 59.2 Ų | 59.2 | 37% | 0.372 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -155.7 | 167.9 | -179 | 74.4 | 0 | 0 | 0 | 0 | 111.9 | H16 C17 V18 | C14-H16 PolarHBondContact O-N 3.4Å; C14-H16 VanDerWaalsContact O-N 3.16Å; C14-C17 WeakPolarHBondContact O-CB 3.44Å; C14-C17 PolarHBondContact O-N 2.92Å; C14-V18 PolarHBondContact O-N 3.09Å |
| 15 | G | 83.9 | Confident | 90 | Very high | 59 Ų | 59 | 55.1 Ų | 55.1 | 61% | 0.608 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -60.3 | -24 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | K19 | G15-K19 WeakPolarHBondContact O-CB 3.18Å; G15-K19 PolarHBondContact O-N 3.3Å |
| 16 | H | 84.9 | Confident | 90.1 | Very high | 127 Ų | 127 | 58.8 Ų | 58.8 | 59% | 0.588 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -71.6 | -33.3 | 174 | -169.6 | -68.7 | 0 | 0 | 0 | 112.1 | C14 R20 | C14-H16 PolarHBondContact O-N 3.4Å; C14-H16 VanDerWaalsContact O-N 3.16Å; H16-R20 PolarHBondContact O-N 2.81Å; H16-R20 VanDerWaalsContact O-N 3.14Å |
| 17 | C | 90.8 | Very high | 90.1 | Very high | 14 Ų | 14 | 63 Ų | 63 | 10% | 0.095 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.1 | -46.4 | 174.1 | -56.4 | 0 | 0 | 0 | 0 | 110.8 | L12 C14 K19 R20 V21 Y61 | L12-C17 HydrophobicContact CB-CB 3.9Å; L12-C17 HydrophobicContact CD2-CB 4.39Å; L12-C17 HydrophobicContact CG-CB 3.88Å; C14-C17 WeakPolarHBondContact O-CB 3.44Å; C14-C17 PolarHBondContact O-N 2.92Å; C17-K19 PolarHBondContact O-N 2.86Å; C17-R20 PolarHBondContact O-N 3.43Å; C17-V21 PolarHBondContact O-N 3.17Å; C17-V21 VanDerWaalsContact O-N 3.09Å; C17-Y61 WeakPolarHBondContact CA-OH 3.44Å; C17-Y61 HydrophobicContact CB-CE1 3.88Å; C17-Y61 WeakPolarHBondContact CB-OH 3.36Å; C17-Y61 PolarHBondContact SG-OH 2.9Å |
| 18 | V | 91.4 | Very high | 90.1 | Very high | 26 Ų | 26 | 65.5 Ų | 65.5 | 16% | 0.158 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -55.8 | -49.7 | 175.6 | 174.6 | 0 | 0 | 0 | 0 | 111 | L12 C14 R20 V21 K22 V36 I38 | L12-V18 HydrophobicContact CD2-CB 4.48Å; L12-V18 HydrophobicContact CD2-CG2 3.96Å; C14-V18 PolarHBondContact O-N 3.09Å; V18-R20 PolarHBondContact O-N 2.6Å; V18-V21 PolarHBondContact O-N 2.85Å; V18-K22 WeakPolarHBondContact O-CB 3.36Å; V18-K22 PolarHBondContact O-N 2.71Å; V18-V36 HydrophobicContact CG1-CB 4.11Å; V18-V36 HydrophobicContact CG1-CG1 4Å; V18-V36 WeakPolarHBondContact CG1-O 3.45Å; V18-I38 HydrophobicContact CG2-CG1 4.05Å |
| 19 | K | 91 | Very high | 89.9 | Confident | 125 Ų | 125 | 69.9 Ų | 69.9 | 54% | 0.543 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -59 | -44.2 | 179 | -174.8 | 176.7 | 173.6 | 179.1 | 0 | 112.4 | G15 C17 K22 E23 | G15-K19 WeakPolarHBondContact O-CB 3.18Å; G15-K19 PolarHBondContact O-N 3.3Å; C17-K19 PolarHBondContact O-N 2.86Å; K19-K22 PolarHBondContact O-N 2.81Å; K19-E23 WeakPolarHBondContact CE-OE1 3.38Å; K19-E23 HydrophobicContact CG-CG 4.45Å; K19-E23 IonicContact NZ-OE1 3.14Å; K19-E23 WeakPolarHBondContact O-CB 3.21Å; K19-E23 WeakPolarHBondContact O-CG 3.44Å; K19-E23 PolarHBondContact O-N 3.36Å |
| 20 | R | 91.4 | Very high | 90 | Very high | 123 Ų | 123 | 71 Ų | 71 | 46% | 0.464 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -61.5 | -46 | 178.7 | -179.7 | -179.7 | -79 | 177.9 | -4.5 | 111.8 | H16 C17 V18 S24 | H16-R20 PolarHBondContact O-N 2.81Å; H16-R20 VanDerWaalsContact O-N 3.14Å; C17-R20 PolarHBondContact O-N 3.43Å; V18-R20 PolarHBondContact O-N 2.6Å; R20-S24 PolarHBondContact O-N 3.34Å; R20-S24 VanDerWaalsContact O-N 3.08Å; R20-S24 PolarHBondContact O-OG 3.31Å; R20-S24 VanDerWaalsContact O-OG 3.13Å |
| 21 | V | 93.6 | Very high | 90.2 | Very high | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.9 | -44.6 | 178 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | L12 C17 V18 S24 L25 V36 I56 Y61 | L12-V21 HydrophobicContact CD1-CG2 4.37Å; L12-V21 HydrophobicContact CD2-CB 4.46Å; L12-V21 HydrophobicContact CD2-CG2 4.06Å; L12-V21 HydrophobicContact CG-CG2 4.38Å; C17-V21 PolarHBondContact O-N 3.17Å; C17-V21 VanDerWaalsContact O-N 3.09Å; V18-V21 PolarHBondContact O-N 2.85Å; V21-S24 PolarHBondContact O-N 3.19Å; V21-L25 HydrophobicContact CG1-CD1 3.95Å; V21-L25 WeakPolarHBondContact O-CG 3.38Å; V21-L25 PolarHBondContact O-N 3.43Å; V21-V36 HydrophobicContact CB-CG1 4.07Å; V21-V36 HydrophobicContact CG1-CG1 3.84Å; V21-V36 HydrophobicContact CG1-CG2 4.3Å; V21-I56 HydrophobicContact CG1-CG1 4.12Å; V21-I56 HydrophobicContact CG1-CG2 4.48Å; V21-Y61 HydrophobicContact CG2-CD2 3.23Å; V21-Y61 HydrophobicContact CG2-CE2 3.66Å; V21-Y61 HydrophobicContact CG2-CG 3.94Å |
| 22 | K | 94.4 | Very high | 90.5 | Very high | 74 Ų | 74 | 70.3 Ų | 70.3 | 32% | 0.322 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -58.6 | -49.2 | 177 | -174.5 | 170.7 | 179.9 | 164.2 | 0 | 112.1 | V18 K19 S24 L25 E26 A34 V36 | V18-K22 WeakPolarHBondContact O-CB 3.36Å; V18-K22 PolarHBondContact O-N 2.71Å; K19-K22 PolarHBondContact O-N 2.81Å; K22-S24 VanDerWaalsContact C-N 3.32Å; K22-S24 PolarHBondContact O-N 2.84Å; K22-L25 PolarHBondContact O-N 2.83Å; K22-E26 WeakPolarHBondContact CE-OE1 3.46Å; K22-E26 HydrophobicContact CG-CG 4.33Å; K22-E26 IonicContact NZ-OE1 3.65Å; K22-E26 WeakPolarHBondContact O-CB 3.31Å; K22-E26 WeakPolarHBondContact O-CG 3.48Å; K22-E26 PolarHBondContact O-N 3.25Å; K22-A34 WeakPolarHBondContact CE-O 3.44Å; K22-V36 HydrophobicContact CB-CB 4.23Å; K22-V36 HydrophobicContact CB-CG2 3.88Å; K22-V36 HydrophobicContact CG-CG2 4.32Å |
| 23 | E | 93.8 | Very high | 90.5 | Very high | 89 Ų | 89 | 75.8 Ų | 75.8 | 42% | 0.416 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -61.2 | -37.9 | 177.8 | -74.1 | 174.6 | 171.1 | 0 | 0 | 112.3 | K19 Q27 | K19-E23 WeakPolarHBondContact CE-OE1 3.38Å; K19-E23 HydrophobicContact CG-CG 4.45Å; K19-E23 IonicContact NZ-OE1 3.14Å; K19-E23 WeakPolarHBondContact O-CB 3.21Å; K19-E23 WeakPolarHBondContact O-CG 3.44Å; K19-E23 PolarHBondContact O-N 3.36Å; E23-Q27 VanDerWaalsContact O-CG 3.24Å; E23-Q27 WeakPolarHBondContact O-CG 3.36Å; E23-Q27 PolarHBondContact O-N 3.11Å |
| 24 | S | 92.8 | Very high | 90.9 | Very high | 32 Ų | 32 | 71 Ų | 71 | 22% | 0.224 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -67.3 | -35.9 | 176 | -64.6 | 0 | 0 | 0 | 0 | 113.1 | R20 V21 K22 T55 | R20-S24 PolarHBondContact O-N 3.34Å; R20-S24 VanDerWaalsContact O-N 3.08Å; R20-S24 PolarHBondContact O-OG 3.31Å; R20-S24 VanDerWaalsContact O-OG 3.13Å; V21-S24 PolarHBondContact O-N 3.19Å; K22-S24 VanDerWaalsContact C-N 3.32Å; K22-S24 PolarHBondContact O-N 2.84Å; S24-T55 WeakPolarHBondContact O-CG2 3.39Å |
| 25 | L | 94.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -72.9 | -44.1 | 176.5 | -70.5 | 168.7 | 0 | 0 | 0 | 111.7 | V21 K22 Q27 R28 V31 A34 V36 V43 L52 T55 I56 | V21-L25 HydrophobicContact CG1-CD1 3.95Å; V21-L25 WeakPolarHBondContact O-CG 3.38Å; V21-L25 PolarHBondContact O-N 3.43Å; K22-L25 PolarHBondContact O-N 2.83Å; L25-Q27 VanDerWaalsContact C-N 3.26Å; L25-Q27 PolarHBondContact O-N 3.09Å; L25-R28 WeakPolarHBondContact O-CB 3.2Å; L25-R28 PolarHBondContact O-N 3.21Å; L25-V31 WeakPolarHBondContact O-CB 3.43Å; L25-A34 HydrophobicContact CB-CB 3.79Å; L25-A34 HydrophobicContact CD1-CB 4.16Å; L25-V36 HydrophobicContact CD1-CG2 3.95Å; L25-V43 HydrophobicContact CD1-CG2 3.95Å; L25-V43 HydrophobicContact CD2-CG2 4.39Å; L25-L52 HydrophobicContact CD2-CD2 3.95Å; L25-T55 HydrophobicContact CD2-CG2 4.41Å; L25-I56 HydrophobicContact CD1-CG1 4.46Å; L25-I56 HydrophobicContact CD2-CD1 4.43Å; L25-I56 HydrophobicContact CD2-CG1 4.16Å; L25-I56 HydrophobicContact CG-CG1 4.48Å |
| 26 | E | 91.9 | Very high | 91.6 | Very high | 102 Ų | 102 | 70.1 Ų | 70.1 | 48% | 0.477 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -68.9 | -19.4 | -179.7 | -70.9 | 178.3 | 163.4 | 0 | 0 | 113.7 | K22 R28 A34 | K22-E26 WeakPolarHBondContact CE-OE1 3.46Å; K22-E26 HydrophobicContact CG-CG 4.33Å; K22-E26 IonicContact NZ-OE1 3.65Å; K22-E26 WeakPolarHBondContact O-CB 3.31Å; K22-E26 WeakPolarHBondContact O-CG 3.48Å; K22-E26 PolarHBondContact O-N 3.25Å; E26-R28 VanDerWaalsContact C-N 3.25Å; E26-R28 PolarHBondContact O-N 3.49Å; E26-A34 HydrophobicContact CG-CB 4.29Å |
| 27 | Q | 91.6 | Very high | 91.8 | Very high | 158 Ų | 158 | 66.4 Ų | 66.4 | 74% | 0.738 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -10.7 | 174.3 | -80.4 | 175.6 | 16.2 | 0 | 0 | 113.9 | E23 L25 | E23-Q27 VanDerWaalsContact O-CG 3.24Å; E23-Q27 WeakPolarHBondContact O-CG 3.36Å; E23-Q27 PolarHBondContact O-N 3.11Å; L25-Q27 VanDerWaalsContact C-N 3.26Å; L25-Q27 PolarHBondContact O-N 3.09Å |
| 28 | R | 92.7 | Very high | 91.8 | Very high | 55 Ų | 55 | 70 Ų | 70 | 21% | 0.208 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -81.1 | 137.6 | 179.9 | -61.2 | -179.8 | 58.4 | 92.6 | 4.2 | 111.3 | L25 E26 D30 V31 Q51 T55 | L25-R28 WeakPolarHBondContact O-CB 3.2Å; L25-R28 PolarHBondContact O-N 3.21Å; E26-R28 VanDerWaalsContact C-N 3.25Å; E26-R28 PolarHBondContact O-N 3.49Å; R28-D30 VanDerWaalsContact CB-OD1 3.24Å; R28-D30 WeakPolarHBondContact CB-OD1 3.07Å; R28-D30 IonicContact CZ-OD1 3.88Å; R28-D30 IonicContact CZ-OD2 3.81Å; R28-D30 IonicContact NE-OD1 3.95Å; R28-D30 PolarHBondContact NE-OD1 2.98Å; R28-D30 IonicContact NE-OD2 3.59Å; R28-D30 IonicContact NH2-OD1 2.78Å; R28-D30 PolarHBondContact NH2-OD1 3.44Å; R28-D30 IonicContact NH2-OD2 2.76Å; R28-D30 PolarHBondContact NH2-OD2 2.97Å; R28-D30 PolarHBondContact O-N 3.46Å; R28-V31 HydrophobicContact CB-CB 4.32Å; R28-V31 HydrophobicContact CB-CG2 3.93Å; R28-V31 PolarHBondContact O-N 3.38Å; R28-Q51 PolarHBondContact NH1-O 3.2Å; R28-T55 WeakPolarHBondContact CD-OG1 3.18Å; R28-T55 HydrophobicContact CG-CG2 4.27Å; R28-T55 PolarHBondContact NH1-OG1 3.46Å |
| 29 | P | 88.6 | Confident | 91.7 | Very high | 141 Ų | 141 | 72.6 Ų | 72.6 | 92% | 0.916 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -12.4 | 179.5 | 29.4 | -35.1 | 0 | 0 | 0 | 114.2 | ||
| 30 | D | 91.9 | Very high | 91.8 | Very high | 29 Ų | 29 | 69.4 Ų | 69.4 | 16% | 0.155 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 9.7 | -178.9 | 58 | -4.1 | 0 | 0 | 0 | 113.5 | R28 G45 T46 A47 | R28-D30 VanDerWaalsContact CB-OD1 3.24Å; R28-D30 WeakPolarHBondContact CB-OD1 3.07Å; R28-D30 IonicContact CZ-OD1 3.88Å; R28-D30 IonicContact CZ-OD2 3.81Å; R28-D30 IonicContact NE-OD1 3.95Å; R28-D30 PolarHBondContact NE-OD1 2.98Å; R28-D30 IonicContact NE-OD2 3.59Å; R28-D30 IonicContact NH2-OD1 2.78Å; R28-D30 PolarHBondContact NH2-OD1 3.44Å; R28-D30 IonicContact NH2-OD2 2.76Å; R28-D30 PolarHBondContact NH2-OD2 2.97Å; R28-D30 PolarHBondContact O-N 3.46Å; D30-G45 CarbonylContact O-C 3.54Å; D30-G45 WeakPolarHBondContact O-CA 3.45Å; D30-T46 PolarHBondContact O-N 3Å; D30-A47 HydrophobicContact CB-CB 4.23Å; D30-A47 PolarHBondContact O-N 3.15Å; D30-A47 WeakPolarHBondContact OD2-CB 3.45Å |
| 31 | V | 91.3 | Very high | 91.8 | Very high | 18 Ų | 18 | 63.5 Ų | 63.5 | 11% | 0.109 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 123.7 | 173.7 | 173.4 | 0 | 0 | 0 | 0 | 109.2 | L25 R28 A34 V43 L52 | L25-V31 WeakPolarHBondContact O-CB 3.43Å; R28-V31 HydrophobicContact CB-CB 4.32Å; R28-V31 HydrophobicContact CB-CG2 3.93Å; R28-V31 PolarHBondContact O-N 3.38Å; V31-A34 HydrophobicContact CG1-CB 4.25Å; V31-V43 HydrophobicContact CB-CG1 4.39Å; V31-V43 HydrophobicContact CG1-CG1 3.73Å; V31-V43 HydrophobicContact CG2-CG1 3.83Å; V31-L52 HydrophobicContact CG2-CD2 3.8Å |
| 32 | E | 89.9 | Confident | 91.8 | Very high | 135 Ų | 135 | 66.9 Ų | 66.9 | 63% | 0.631 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.1 | -37.4 | 176.6 | -66 | 173.2 | 171.4 | 0 | 0 | 111 | S2 T44 | S2-E32 VanDerWaalsContact CB-OE2 3.31Å; S2-E32 WeakPolarHBondContact CB-OE2 3.22Å; S2-E32 PolarHBondContact OG-OE2 2.64Å; E32-T44 PolarHBondContact N-O 2.95Å |
| 33 | Q | 90.6 | Very high | 91.6 | Very high | 128 Ų | 128 | 63.5 Ų | 63.5 | 60% | 0.598 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 139.8 | 179.2 | -173.8 | 175.5 | -5.2 | 0 | 0 | 110.8 | V43 T44 | Q33-V43 WeakPolarHBondContact O-CA 3.3Å; Q33-T44 PolarHBondContact N-O 2.91Å; Q33-T44 VanDerWaalsContact N-O 3.14Å; Q33-T44 PolarHBondContact O-N 2.88Å |
| 34 | A | 91.2 | Very high | 91.5 | Very high | 2 Ų | 2 | 60.9 Ų | 60.9 | 2% | 0.017 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 122.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | K22 L25 E26 V31 V43 | K22-A34 WeakPolarHBondContact CE-O 3.44Å; L25-A34 HydrophobicContact CB-CB 3.79Å; L25-A34 HydrophobicContact CD1-CB 4.16Å; E26-A34 HydrophobicContact CG-CB 4.29Å; V31-A34 HydrophobicContact CG1-CB 4.25Å; A34-V43 HydrophobicContact CB-CG2 4.4Å |
| 35 | D | 92.1 | Very high | 91.4 | Very high | 84 Ų | 84 | 59.6 Ų | 59.6 | 45% | 0.449 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 131.4 | 167.5 | -156.2 | -6.1 | 0 | 0 | 0 | 109.5 | A41 H42 | D35-A41 CarbonylContact O-C 3.41Å; D35-A41 VanDerWaalsContact O-CA 3.25Å; D35-A41 WeakPolarHBondContact O-CA 3.28Å; D35-H42 HydrophobicContact CB-CB 4.4Å; D35-H42 PolarHBondContact N-O 3.03Å; D35-H42 PolarHBondContact O-N 3.5Å |
| 36 | V | 92.2 | Very high | 91.2 | Very high | 11 Ų | 11 | 64.1 Ų | 64.1 | 7% | 0.067 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 125.1 | -168.5 | -176 | 0 | 0 | 0 | 0 | 108.4 | L9 L12 V18 V21 K22 L25 A41 | L9-V36 HydrophobicContact CD1-CG1 3.72Å; L12-V36 HydrophobicContact CD2-CG1 4.29Å; V18-V36 HydrophobicContact CG1-CB 4.11Å; V18-V36 HydrophobicContact CG1-CG1 4Å; V18-V36 WeakPolarHBondContact CG1-O 3.45Å; V21-V36 HydrophobicContact CB-CG1 4.07Å; V21-V36 HydrophobicContact CG1-CG1 3.84Å; V21-V36 HydrophobicContact CG1-CG2 4.3Å; K22-V36 HydrophobicContact CB-CB 4.23Å; K22-V36 HydrophobicContact CB-CG2 3.88Å; K22-V36 HydrophobicContact CG-CG2 4.32Å; L25-V36 HydrophobicContact CD1-CG2 3.95Å; V36-A41 HydrophobicContact CG2-CB 4.27Å |
| 37 | S | 91 | Very high | 91 | Very high | 49 Ų | 49 | 59.7 Ų | 59.7 | 34% | 0.343 | 32% | 0.32 | S | S | . | . | trans | -110.8 | -171.8 | 170.8 | 76.8 | 0 | 0 | 0 | 0 | 110.3 | T39 E40 | S37-T39 PolarHBondContact O-N 3.46Å; S37-T39 PolarHBondContact OG-N 3.42Å; S37-E40 PolarHBondContact N-O 3.03Å; S37-E40 PolarHBondContact OG-N 3.46Å; S37-E40 PolarHBondContact OG-O 3.13Å; S37-E40 VanDerWaalsContact OG-O 3.14Å | ||
| 38 | I | 89.2 | Confident | 91 | Very high | 88 Ų | 88 | 54.5 Ų | 54.5 | 45% | 0.451 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -67 | -28.6 | 176 | -65.5 | 178.8 | 0 | 0 | 0 | 111.2 | L12 V18 | L12-I38 HydrophobicContact CB-CG2 4.49Å; L12-I38 VanDerWaalsContact O-CG2 3.31Å; L12-I38 WeakPolarHBondContact O-CG2 3.33Å; V18-I38 HydrophobicContact CG2-CG1 4.05Å |
| 39 | T | 91 | Very high | 90.9 | Very high | 82 Ų | 82 | 53.1 Ų | 53.1 | 50% | 0.503 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -123.1 | -16.3 | -169.4 | 52.7 | 0 | 0 | 0 | 0 | 114.2 | T8 L9 S37 | T8-T39 WeakPolarHBondContact CA-O 3.29Å; L9-T39 PolarHBondContact N-O 3.31Å; S37-T39 PolarHBondContact O-N 3.46Å; S37-T39 PolarHBondContact OG-N 3.42Å |
| 40 | E | 92.5 | Very high | 90.9 | Very high | 57 Ų | 57 | 54.1 Ų | 54.1 | 27% | 0.266 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 146 | -172.6 | -62.9 | -176.7 | 168.4 | 0 | 0 | 110.5 | L7 S37 H42 K71 | L7-E40 CarbonylContact O-C 3Å; L7-E40 VanDerWaalsContact O-CA 3.29Å; L7-E40 WeakPolarHBondContact O-CA 3.35Å; S37-E40 PolarHBondContact N-O 3.03Å; S37-E40 PolarHBondContact OG-N 3.46Å; S37-E40 PolarHBondContact OG-O 3.13Å; S37-E40 VanDerWaalsContact OG-O 3.14Å; E40-H42 IonicContact OE2-NE2 3.73Å; E40-K71 IonicContact OE1-NZ 3.67Å; E40-K71 PolarHBondContact OE1-NZ 3.14Å; E40-K71 IonicContact OE2-NZ 3.24Å; E40-K71 PolarHBondContact OE2-NZ 3.37Å |
| 41 | A | 91.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 129.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | L7 L9 D35 V36 V43 | L7-A41 HydrophobicContact CB-CB 4.34Å; L7-A41 PolarHBondContact N-O 3Å; L7-A41 PolarHBondContact O-N 3.46Å; L9-A41 HydrophobicContact CD1-CB 3.96Å; L9-A41 HydrophobicContact CD2-CB 4.06Å; L9-A41 HydrophobicContact CG-CB 4.14Å; D35-A41 CarbonylContact O-C 3.41Å; D35-A41 VanDerWaalsContact O-CA 3.25Å; D35-A41 WeakPolarHBondContact O-CA 3.28Å; V36-A41 HydrophobicContact CG2-CB 4.27Å; A41-V43 HydrophobicContact CB-CG2 4.41Å |
| 42 | H | 92.6 | Very high | 91 | Very high | 70 Ų | 70 | 56.1 Ų | 56.1 | 32% | 0.324 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 109 | 174.3 | -60.2 | -71.5 | 0 | 0 | 0 | 108.6 | D6 D35 E40 | D6-H42 IonicContact OD1-CE1 3.63Å; D6-H42 IonicContact OD1-CG 2.76Å; D6-H42 IonicContact OD1-ND1 3.6Å; D6-H42 PolarHBondContact OD1-ND1 3.2Å; D35-H42 HydrophobicContact CB-CB 4.4Å; D35-H42 PolarHBondContact N-O 3.03Å; D35-H42 PolarHBondContact O-N 3.5Å; E40-H42 IonicContact OE2-NE2 3.73Å |
| 43 | V | 91.6 | Very high | 91.2 | Very high | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.018 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 121.9 | -174.5 | -171.4 | 0 | 0 | 0 | 0 | 109.8 | T4 I5 L25 V31 Q33 A34 A41 L52 | T4-V43 CarbonylContact C-O 3.53Å; T4-V43 WeakPolarHBondContact CA-O 3.38Å; I5-V43 PolarHBondContact N-O 2.95Å; I5-V43 PolarHBondContact O-N 3.3Å; L25-V43 HydrophobicContact CD1-CG2 3.95Å; L25-V43 HydrophobicContact CD2-CG2 4.39Å; V31-V43 HydrophobicContact CB-CG1 4.39Å; V31-V43 HydrophobicContact CG1-CG1 3.73Å; V31-V43 HydrophobicContact CG2-CG1 3.83Å; Q33-V43 WeakPolarHBondContact O-CA 3.3Å; A34-V43 HydrophobicContact CB-CG2 4.4Å; A41-V43 HydrophobicContact CB-CG2 4.41Å; V43-L52 HydrophobicContact CB-CD1 3.79Å; V43-L52 HydrophobicContact CG1-CD1 3.86Å; V43-L52 HydrophobicContact CG1-CD2 3.83Å; V43-L52 HydrophobicContact CG2-CD1 4.23Å |
| 44 | T | 91.1 | Very high | 91.3 | Very high | 35 Ų | 35 | 49.8 Ų | 49.8 | 22% | 0.215 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 126 | 176.4 | -58.3 | 0 | 0 | 0 | 0 | 109.3 | S2 Q3 T4 E32 Q33 | S2-T44 VanDerWaalsContact OG-CG2 3.31Å; S2-T44 WeakPolarHBondContact OG-CG2 3.4Å; Q3-T44 WeakPolarHBondContact O-CA 3.32Å; T4-T44 PolarHBondContact OG1-OG1 2.96Å; E32-T44 PolarHBondContact N-O 2.95Å; Q33-T44 PolarHBondContact N-O 2.91Å; Q33-T44 VanDerWaalsContact N-O 3.14Å; Q33-T44 PolarHBondContact O-N 2.88Å |
| 45 | G | 91 | Very high | 91.4 | Very high | 4 Ų | 4 | 50.2 Ų | 50.2 | 4% | 0.041 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.7 | -159.6 | -179 | 0 | 0 | 0 | 0 | 0 | 114.3 | S2 Q3 D30 | S2-G45 WeakPolarHBondContact CA-O 3.39Å; S2-G45 PolarHBondContact OG-N 3.16Å; Q3-G45 PolarHBondContact N-O 2.79Å; Q3-G45 PolarHBondContact O-N 3.02Å; D30-G45 CarbonylContact O-C 3.54Å; D30-G45 WeakPolarHBondContact O-CA 3.45Å |
| 46 | T | 90.2 | Very high | 91.4 | Very high | 96 Ų | 96 | 46.2 Ų | 46.2 | 59% | 0.589 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -106.1 | -2.8 | 177.9 | 56.1 | 0 | 0 | 0 | 0 | 113.8 | D30 | D30-T46 PolarHBondContact O-N 3Š|
| 47 | A | 88 | Confident | 91.5 | Very high | 9 Ų | 9 | 50.6 Ų | 50.6 | 7% | 0.074 | 27% | 0.271 | C | S | . | . | trans | -64.9 | 146.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I5 D30 L52 | I5-A47 VanDerWaalsContact CD1-O 3.29Å; I5-A47 WeakPolarHBondContact CD1-O 3.29Å; D30-A47 HydrophobicContact CB-CB 4.23Å; D30-A47 PolarHBondContact O-N 3.15Å; D30-A47 WeakPolarHBondContact OD2-CB 3.45Å; A47-L52 HydrophobicContact CB-CD1 4.49Å; A47-L52 HydrophobicContact CB-CD2 3.69Å; A47-L52 HydrophobicContact CB-CG 3.93Å | ||
| 48 | S | 90.8 | Very high | 91.4 | Very high | 49 Ų | 49 | 55.2 Ų | 55.2 | 34% | 0.343 | 29% | 0.287 | S | S | . | . | trans | -78.3 | 154.4 | 169.6 | 77.5 | 0 | 0 | 0 | 0 | 111.5 | E50 Q51 L52 | S48-E50 PolarHBondContact O-N 2.9Å; S48-Q51 WeakPolarHBondContact O-CB 3.2Å; S48-Q51 PolarHBondContact O-N 3.44Å; S48-Q51 WeakPolarHBondContact OG-CG 3.36Å; S48-Q51 PolarHBondContact OG-N 2.74Å; S48-Q51 PolarHBondContact OG-OE1 3.13Å; S48-L52 PolarHBondContact O-N 2.87Å; S48-L52 VanDerWaalsContact O-N 3.12Å | ||
| 49 | A | 90.1 | Very high | 91.4 | Very high | 25 Ų | 25 | 51.6 Ų | 51.6 | 21% | 0.207 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -55.7 | -38.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I5 Q51 L52 I53 V65 | I5-A49 HydrophobicContact CD1-CB 4.27Å; I5-A49 HydrophobicContact CG2-CB 3.95Å; A49-Q51 PolarHBondContact O-N 2.62Å; A49-L52 PolarHBondContact O-N 2.91Å; A49-I53 WeakPolarHBondContact O-CD1 3.43Å; A49-I53 VanDerWaalsContact O-CG1 3.25Å; A49-I53 WeakPolarHBondContact O-CG1 3.41Å; A49-I53 PolarHBondContact O-N 3.09Å; A49-V65 HydrophobicContact CB-CG2 3.7Å |
| 50 | E | 90.1 | Very high | 91.2 | Very high | 162 Ų | 162 | 50.6 Ų | 50.6 | 76% | 0.757 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -61.3 | -41.2 | 176.2 | -65.9 | 172.7 | 172.5 | 0 | 0 | 112.2 | S48 E54 | S48-E50 PolarHBondContact O-N 2.9Å; E50-E54 WeakPolarHBondContact O-CB 3.43Å; E50-E54 PolarHBondContact O-N 3.25Å |
| 51 | Q | 91.5 | Very high | 91.2 | Very high | 87 Ų | 87 | 49.2 Ų | 49.2 | 41% | 0.407 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -69.4 | -36 | 178.7 | -70.2 | 171.4 | -35.2 | 0 | 0 | 112.4 | R28 S48 A49 T55 | R28-Q51 PolarHBondContact NH1-O 3.2Å; S48-Q51 WeakPolarHBondContact O-CB 3.2Å; S48-Q51 PolarHBondContact O-N 3.44Å; S48-Q51 WeakPolarHBondContact OG-CG 3.36Å; S48-Q51 PolarHBondContact OG-N 2.74Å; S48-Q51 PolarHBondContact OG-OE1 3.13Å; A49-Q51 PolarHBondContact O-N 2.62Å; Q51-T55 PolarHBondContact O-N 2.93Å; Q51-T55 PolarHBondContact O-OG1 3.33Å |
| 52 | L | 94 | Very high | 91.1 | Very high | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.01 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.2 | -44.8 | 175.8 | -63.7 | 177 | 0 | 0 | 0 | 111.3 | I5 L7 L25 V31 V43 A47 S48 A49 E54 T55 I56 | I5-L52 HydrophobicContact CB-CD1 4.1Å; I5-L52 HydrophobicContact CD1-CD1 3.97Å; I5-L52 HydrophobicContact CG2-CD1 4.28Å; L7-L52 HydrophobicContact CD1-CB 3.75Å; L7-L52 HydrophobicContact CD1-CD1 4.35Å; L25-L52 HydrophobicContact CD2-CD2 3.95Å; V31-L52 HydrophobicContact CG2-CD2 3.8Å; V43-L52 HydrophobicContact CB-CD1 3.79Å; V43-L52 HydrophobicContact CG1-CD1 3.86Å; V43-L52 HydrophobicContact CG1-CD2 3.83Å; V43-L52 HydrophobicContact CG2-CD1 4.23Å; A47-L52 HydrophobicContact CB-CD1 4.49Å; A47-L52 HydrophobicContact CB-CD2 3.69Å; A47-L52 HydrophobicContact CB-CG 3.93Å; S48-L52 PolarHBondContact O-N 2.87Å; S48-L52 VanDerWaalsContact O-N 3.12Å; A49-L52 PolarHBondContact O-N 2.91Å; L52-E54 VanDerWaalsContact C-N 3.33Å; L52-E54 PolarHBondContact O-N 3.36Å; L52-T55 WeakPolarHBondContact O-CB 3.26Å; L52-T55 PolarHBondContact O-N 2.91Å; L52-T55 VanDerWaalsContact O-N 3.13Å; L52-I56 WeakPolarHBondContact O-CG1 3.42Å; L52-I56 PolarHBondContact O-N 2.85Å |
| 53 | I | 94.3 | Very high | 91.1 | Very high | 28 Ų | 28 | 50.2 Ų | 50.2 | 14% | 0.144 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.3 | -44.1 | 176 | -69.4 | 165.6 | 0 | 0 | 0 | 110.9 | L7 A49 T55 I56 K57 A63 V65 | L7-I53 HydrophobicContact CD1-CG1 4.48Å; L7-I53 HydrophobicContact CD2-CD1 4.21Å; L7-I53 HydrophobicContact CD2-CG1 3.94Å; A49-I53 WeakPolarHBondContact O-CD1 3.43Å; A49-I53 VanDerWaalsContact O-CG1 3.25Å; A49-I53 WeakPolarHBondContact O-CG1 3.41Å; A49-I53 PolarHBondContact O-N 3.09Å; I53-T55 VanDerWaalsContact C-N 3.27Å; I53-T55 PolarHBondContact O-N 2.88Å; I53-I56 PolarHBondContact O-N 2.9Å; I53-K57 HydrophobicContact CG2-CD 4.31Å; I53-K57 WeakPolarHBondContact O-CG 3.08Å; I53-K57 PolarHBondContact O-N 2.75Å; I53-A63 HydrophobicContact CB-CB 4.45Å; I53-A63 HydrophobicContact CG1-CB 4.01Å; I53-A63 HydrophobicContact CG2-CB 4.36Å; I53-A63 WeakPolarHBondContact CG2-O 3.37Å; I53-V65 HydrophobicContact CD1-CG2 4.01Å |
| 54 | E | 92.3 | Very high | 91 | Very high | 102 Ų | 102 | 52.9 Ų | 52.9 | 48% | 0.477 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61 | -37.1 | 176.8 | -174.3 | 60.5 | -157.4 | 0 | 0 | 112.1 | E50 L52 K57 Q58 | E50-E54 WeakPolarHBondContact O-CB 3.43Å; E50-E54 PolarHBondContact O-N 3.25Å; L52-E54 VanDerWaalsContact C-N 3.33Å; L52-E54 PolarHBondContact O-N 3.36Å; E54-K57 PolarHBondContact O-N 3.35Å; E54-Q58 WeakPolarHBondContact O-CG 3.39Å; E54-Q58 PolarHBondContact O-N 3.41Å; E54-Q58 PolarHBondContact OE1-NE2 3.41Å |
| 55 | T | 92.6 | Very high | 90.9 | Very high | 11 Ų | 11 | 54.4 Ų | 54.4 | 7% | 0.067 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.3 | -41.1 | 176.9 | -52.4 | 0 | 0 | 0 | 0 | 111.5 | S24 L25 R28 Q51 L52 I53 Q58 A59 | S24-T55 WeakPolarHBondContact O-CG2 3.39Å; L25-T55 HydrophobicContact CD2-CG2 4.41Å; R28-T55 WeakPolarHBondContact CD-OG1 3.18Å; R28-T55 HydrophobicContact CG-CG2 4.27Å; R28-T55 PolarHBondContact NH1-OG1 3.46Å; Q51-T55 PolarHBondContact O-N 2.93Å; Q51-T55 PolarHBondContact O-OG1 3.33Å; L52-T55 WeakPolarHBondContact O-CB 3.26Å; L52-T55 PolarHBondContact O-N 2.91Å; L52-T55 VanDerWaalsContact O-N 3.13Å; I53-T55 VanDerWaalsContact C-N 3.27Å; I53-T55 PolarHBondContact O-N 2.88Å; T55-Q58 PolarHBondContact O-N 3.01Å; T55-A59 PolarHBondContact O-N 3.15Å; T55-A59 VanDerWaalsContact O-N 3.09Å |
| 56 | I | 93 | Very high | 90.2 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.8 | -38.3 | 177.8 | -63.6 | 161.4 | 0 | 0 | 0 | 110.6 | L7 L9 V21 L25 L52 I53 Q58 A59 G60 Y61 A63 | L7-I56 HydrophobicContact CD1-CD1 3.56Å; L9-I56 HydrophobicContact CD2-CD1 3.76Å; L9-I56 HydrophobicContact CD2-CG2 4.07Å; V21-I56 HydrophobicContact CG1-CG1 4.12Å; V21-I56 HydrophobicContact CG1-CG2 4.48Å; L25-I56 HydrophobicContact CD1-CG1 4.46Å; L25-I56 HydrophobicContact CD2-CD1 4.43Å; L25-I56 HydrophobicContact CD2-CG1 4.16Å; L25-I56 HydrophobicContact CG-CG1 4.48Å; L52-I56 WeakPolarHBondContact O-CG1 3.42Å; L52-I56 PolarHBondContact O-N 2.85Å; I53-I56 PolarHBondContact O-N 2.9Å; I56-Q58 PolarHBondContact O-N 2.93Å; I56-A59 CarbonylContact O-C 3.53Å; I56-A59 WeakPolarHBondContact O-CA 3.46Å; I56-A59 WeakPolarHBondContact O-CB 3.38Å; I56-A59 PolarHBondContact O-N 2.84Å; I56-A59 VanDerWaalsContact O-N 3.1Å; I56-G60 PolarHBondContact O-N 2.81Å; I56-Y61 CarbonylContact C-O 3.59Å; I56-Y61 VanDerWaalsContact C-O 3.32Å; I56-Y61 PolarHBondContact O-N 3.06Å; I56-Y61 VanDerWaalsContact O-N 3.13Å; I56-A63 HydrophobicContact CB-CB 4.12Å; I56-A63 HydrophobicContact CD1-CB 3.65Å; I56-A63 HydrophobicContact CG1-CB 4.5Å; I56-A63 HydrophobicContact CG2-CB 3.96Å |
| 57 | K | 92.8 | Very high | 88.7 | Confident | 103 Ų | 103 | 59.4 Ų | 59.4 | 45% | 0.448 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.4 | -41.1 | 172.1 | -75.9 | -178.1 | 175.8 | -179.7 | 0 | 112.8 | I53 E54 A59 G60 Y61 D62 | I53-K57 HydrophobicContact CG2-CD 4.31Å; I53-K57 WeakPolarHBondContact O-CG 3.08Å; I53-K57 PolarHBondContact O-N 2.75Å; E54-K57 PolarHBondContact O-N 3.35Å; K57-A59 VanDerWaalsContact C-N 3.25Å; K57-A59 PolarHBondContact O-N 2.85Å; K57-G60 WeakPolarHBondContact O-CA 3.47Å; K57-G60 PolarHBondContact O-N 2.88Å; K57-Y61 WeakPolarHBondContact CA-O 3.01Å; K57-Y61 PolarHBondContact N-O 3Å; K57-D62 WeakPolarHBondContact CE-OD1 3.38Å; K57-D62 IonicContact NZ-OD1 3.64Å |
| 58 | Q | 89.6 | Confident | 86.4 | Confident | 146 Ų | 146 | 65 Ų | 65 | 68% | 0.682 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -65.5 | -28.5 | 174 | -71.5 | 173.6 | 14.4 | 0 | 0 | 112.8 | E54 T55 I56 G60 | E54-Q58 WeakPolarHBondContact O-CG 3.39Å; E54-Q58 PolarHBondContact O-N 3.41Å; E54-Q58 PolarHBondContact OE1-NE2 3.41Å; T55-Q58 PolarHBondContact O-N 3.01Å; I56-Q58 PolarHBondContact O-N 2.93Å; Q58-G60 PolarHBondContact O-N 3.02Å |
| 59 | A | 88.3 | Confident | 83.7 | Confident | 12 Ų | 12 | 71.9 Ų | 71.9 | 10% | 0.099 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -8.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | T55 I56 K57 Y61 | T55-A59 PolarHBondContact O-N 3.15Å; T55-A59 VanDerWaalsContact O-N 3.09Å; I56-A59 CarbonylContact O-C 3.53Å; I56-A59 WeakPolarHBondContact O-CA 3.46Å; I56-A59 WeakPolarHBondContact O-CB 3.38Å; I56-A59 PolarHBondContact O-N 2.84Å; I56-A59 VanDerWaalsContact O-N 3.1Å; K57-A59 VanDerWaalsContact C-N 3.25Å; K57-A59 PolarHBondContact O-N 2.85Å; A59-Y61 HydrophobicContact CB-CD2 4.15Å; A59-Y61 WeakPolarHBondContact O-CD2 3.3Å; A59-Y61 VanDerWaalsContact O-CE2 3.31Å; A59-Y61 WeakPolarHBondContact O-CE2 3.34Å |
| 60 | G | 88.2 | Confident | 80.8 | Confident | 61 Ų | 61 | 75.8 Ų | 75.8 | 63% | 0.629 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.6 | 19.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | I56 K57 Q58 | I56-G60 PolarHBondContact O-N 2.81Å; K57-G60 WeakPolarHBondContact O-CA 3.47Å; K57-G60 PolarHBondContact O-N 2.88Å; Q58-G60 PolarHBondContact O-N 3.02Å |
| 61 | Y | 91.6 | Very high | 78 | Confident | 29 Ų | 29 | 75.2 Ų | 75.2 | 11% | 0.114 | 41% | 0.412 | C | S | . | . | trans | -128.9 | 160.3 | -177 | -56 | -77.7 | 0 | 0 | 0 | 111.2 | G11 L12 C17 V21 I56 K57 A59 | G11-Y61 WeakPolarHBondContact O-CD1 3.31Å; G11-Y61 WeakPolarHBondContact O-CE1 3.49Å; L12-Y61 HydrophobicContact CD1-CD1 3.6Å; L12-Y61 HydrophobicContact CD1-CE1 4.32Å; L12-Y61 HydrophobicContact CD1-CG 3.72Å; L12-Y61 HydrophobicContact CG-CD1 3.93Å; L12-Y61 HydrophobicContact CG-CE1 4.14Å; L12-Y61 HydrophobicContact CG-CG 4.27Å; C17-Y61 WeakPolarHBondContact CA-OH 3.44Å; C17-Y61 HydrophobicContact CB-CE1 3.88Å; C17-Y61 WeakPolarHBondContact CB-OH 3.36Å; C17-Y61 PolarHBondContact SG-OH 2.9Å; V21-Y61 HydrophobicContact CG2-CD2 3.23Å; V21-Y61 HydrophobicContact CG2-CE2 3.66Å; V21-Y61 HydrophobicContact CG2-CG 3.94Å; I56-Y61 CarbonylContact C-O 3.59Å; I56-Y61 VanDerWaalsContact C-O 3.32Å; I56-Y61 PolarHBondContact O-N 3.06Å; I56-Y61 VanDerWaalsContact O-N 3.13Å; K57-Y61 WeakPolarHBondContact CA-O 3.01Å; K57-Y61 PolarHBondContact N-O 3Å; A59-Y61 HydrophobicContact CB-CD2 4.15Å; A59-Y61 WeakPolarHBondContact O-CD2 3.3Å; A59-Y61 VanDerWaalsContact O-CE2 3.31Å; A59-Y61 WeakPolarHBondContact O-CE2 3.34Å | ||
| 62 | D | 89.5 | Confident | 75.1 | Confident | 82 Ų | 82 | 77 Ų | 77 | 44% | 0.439 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 153.6 | 177.7 | -141 | -19.4 | 0 | 0 | 0 | 111.1 | D10 K57 | D10-D62 HydrophobicContact CB-CB 4.18Å; D10-D62 PolarHBondContact N-O 3.13Å; D10-D62 PolarHBondContact O-N 2.9Å; D10-D62 VanDerWaalsContact O-N 3.09Å; K57-D62 WeakPolarHBondContact CE-OD1 3.38Å; K57-D62 IonicContact NZ-OD1 3.64Å |
| 63 | A | 91.5 | Very high | 72.2 | Confident | 8 Ų | 8 | 85.4 Ų | 85.4 | 7% | 0.066 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 144.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T8 L9 I53 I56 | T8-A63 CarbonylContact O-C 3.57Å; T8-A63 VanDerWaalsContact O-CA 3.26Å; T8-A63 WeakPolarHBondContact O-CA 3.49Å; L9-A63 HydrophobicContact CD2-CB 4.05Å; I53-A63 HydrophobicContact CB-CB 4.45Å; I53-A63 HydrophobicContact CG1-CB 4.01Å; I53-A63 HydrophobicContact CG2-CB 4.36Å; I53-A63 WeakPolarHBondContact CG2-O 3.37Å; I56-A63 HydrophobicContact CB-CB 4.12Å; I56-A63 HydrophobicContact CD1-CB 3.65Å; I56-A63 HydrophobicContact CG1-CB 4.5Å; I56-A63 HydrophobicContact CG2-CB 3.96Å |
| 64 | S | 90.7 | Very high | 69.2 | Low | 59 Ų | 59 | 88.7 Ų | 88.7 | 41% | 0.413 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 152.3 | 175.5 | 62.2 | 0 | 0 | 0 | 0 | 111.3 | L7 T8 S66 | L7-S64 CarbonylContact C-O 3.49Å; L7-S64 VanDerWaalsContact CA-O 3.32Å; L7-S64 WeakPolarHBondContact CA-O 3.49Å; T8-S64 PolarHBondContact N-O 3.35Å; T8-S64 PolarHBondContact O-N 2.91Å; S64-S66 PolarHBondContact O-N 2.95Å |
| 65 | V | 88.2 | Confident | 66.3 | Low | 67 Ų | 67 | 93.4 Ų | 93.4 | 41% | 0.406 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 126.8 | 178.3 | -175.6 | 0 | 0 | 0 | 0 | 109.7 | L7 A49 I53 H67 | L7-V65 HydrophobicContact CD2-CG2 4.28Å; A49-V65 HydrophobicContact CB-CG2 3.7Å; I53-V65 HydrophobicContact CD1-CG2 4.01Å; V65-H67 PolarHBondContact O-N 3.39Å |
| 66 | S | 77.6 | Confident | 63.6 | Low | 43 Ų | 43 | 97.8 Ų | 97.8 | 30% | 0.301 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -70 | 128 | 177.4 | -170.7 | 0 | 0 | 0 | 0 | 110.3 | D6 S64 | D6-S66 WeakPolarHBondContact O-CB 3Å; D6-S66 PolarHBondContact O-N 3.38Å; S64-S66 PolarHBondContact O-N 2.95Å |
| 67 | H | 57.7 | Low | 60.6 | Low | 162 Ų | 162 | 102.7 Ų | 102.7 | 75% | 0.75 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 126 | 170.2 | -70.6 | -55.7 | 0 | 0 | 0 | 108.9 | V65 K69 | V65-H67 PolarHBondContact O-N 3.39Å; H67-K69 PolarHBondContact O-N 2.93Å |
| 68 | P | 39.8 | Very low | 57.9 | Low | 126 Ų | 126 | 103.1 Ų | 103.1 | 82% | 0.818 | 60% | 0.6 | S | S | * | * | trans | -69.7 | 102.5 | -173.5 | 26.9 | -31.8 | 0 | 0 | 0 | 110.3 | ||||
| 69 | K | 34.7 | Very low | 55 | Low | 194 Ų | 194 | 102.2 Ų | 102.2 | 84% | 0.843 | 61% | 0.607 | S | S | * | * | trans | -71.8 | 130.8 | 147.7 | -83.7 | -177.2 | 176 | 179.4 | 0 | 106.5 | H67 K71 | H67-K69 PolarHBondContact O-N 2.93Å; K69-K71 PolarHBondContact O-N 3.45Å | ||
| 70 | A | 29.6 | Very low | 52.3 | Low | 108 Ų | 108 | 106.5 Ų | 106.5 | 89% | 0.893 | 64% | 0.636 | S | S | * | * | trans | -48.9 | 98.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 71 | K | 30.5 | Very low | 49.4 | Very low | 149 Ų | 149 | 113.4 Ų | 113.4 | 65% | 0.648 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -82 | 136.6 | 169.5 | -94 | 179 | 178.8 | 172.5 | 0 | 107.6 | E40 K69 | E40-K71 IonicContact OE1-NZ 3.67Å; E40-K71 PolarHBondContact OE1-NZ 3.14Å; E40-K71 IonicContact OE2-NZ 3.24Å; E40-K71 PolarHBondContact OE2-NZ 3.37Å; K69-K71 PolarHBondContact O-N 3.45Å |
| 72 | P | 30.3 | Very low | 46.3 | Very low | 126 Ų | 126 | 115.8 Ų | 115.8 | 82% | 0.818 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 150.7 | 168.7 | -14.6 | 28.4 | 0 | 0 | 0 | 110.4 | A74 | P72-A74 PolarHBondContact O-N 2.96Š|
| 73 | L | 34.1 | Very low | 43.5 | Very low | 178 Ų | 178 | 118.9 Ų | 118.9 | 93% | 0.932 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -46.6 | 121.7 | -173.9 | -72.6 | 145 | 0 | 0 | 0 | 114.8 | ||
| 74 | A | 30.3 | Very low | 40.3 | Very low | 97 Ų | 97 | 125.7 Ų | 125.7 | 80% | 0.802 | 74% | 0.735 | S | S | * | * | trans | 11.5 | 114.9 | 157.3 | 0 | 0 | 0 | 0 | 0 | 120.7 | P72 | P72-A74 PolarHBondContact O-N 2.96Š| ||
| 75 | E | 32.2 | Very low | 37.3 | Very low | 200 Ų | 200 | 124.4 Ų | 124.4 | 94% | 0.935 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 118.6 | 148.3 | -84.1 | 178.4 | 149.3 | 0 | 0 | 109.7 | ||
| 76 | S | 34.6 | Very low | 34.4 | Very low | 103 Ų | 103 | 127.5 Ų | 127.5 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 119.8 | 170.3 | -176.4 | 0 | 0 | 0 | 0 | 109.7 | ||
| 77 | S | 31 | Very low | 32.1 | Very low | 103 Ų | 103 | 130 Ų | 130 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 120.8 | 174.1 | 46.3 | 0 | 0 | 0 | 0 | 112.2 | ||
| 78 | I | 35.4 | Very low | 30.8 | Very low | 112 Ų | 112 | 127.8 Ų | 127.8 | 57% | 0.574 | 75% | 0.754 | S | S | * | * | trans | -139.1 | 125.1 | 150.3 | -59.8 | -172 | 0 | 0 | 0 | 107.4 | S80 K706 | I78-S80 PolarHBondContact O-N 3.02Å; I78-K706 VanDerWaalsContact CD1-CE 3.41Å | ||
| 79 | P | 29.2 | Very low | 30.6 | Very low | 127 Ų | 127 | 125.5 Ų | 125.5 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | trans | -79.6 | 119.6 | 177.9 | 31.3 | -29.7 | 0 | 0 | 0 | 109.9 | ||||
| 80 | S | 32.3 | Very low | 30.6 | Very low | 102 Ų | 102 | 119.5 Ų | 119.5 | 71% | 0.713 | 72% | 0.722 | S | S | * | * | trans | -123.3 | 110.3 | 161 | -170.7 | 0 | 0 | 0 | 0 | 108.4 | I78 A82 | I78-S80 PolarHBondContact O-N 3.02Å; S80-A82 VanDerWaalsContact C-N 3.27Å; S80-A82 PolarHBondContact O-N 3.22Å | ||
| 81 | E | 27 | Very low | 30.5 | Very low | 206 Ų | 206 | 118.3 Ų | 118.3 | 96% | 0.963 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -64.3 | 78.2 | 174.5 | -71.8 | 173.8 | 127.2 | 0 | 0 | 110.8 | ||
| 82 | A | 27 | Very low | 30.5 | Very low | 80 Ų | 80 | 113.8 Ų | 113.8 | 66% | 0.661 | 70% | 0.696 | S | S | * | * | trans | -165.5 | 33.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | S80 | S80-A82 VanDerWaalsContact C-N 3.27Å; S80-A82 PolarHBondContact O-N 3.22Å | ||
| 83 | L | 29.1 | Very low | 30.5 | Very low | 146 Ų | 146 | 111.3 Ų | 111.3 | 76% | 0.764 | 69% | 0.686 | S | S | * | * | trans | -139.3 | 96.1 | 176.6 | -75.9 | 165.4 | 0 | 0 | 0 | 111.7 | A85 | L83-A85 VanDerWaalsContact C-N 3.34Š| ||
| 84 | T | 24.5 | Very low | 30.2 | Very low | 152 Ų | 152 | 107.2 Ų | 107.2 | 93% | 0.933 | 67% | 0.669 | S | S | * | * | trans | -102.1 | 44.2 | 161.5 | 13.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 85 | A | 28.9 | Very low | 30.5 | Very low | 32 Ų | 32 | 107 Ų | 107 | 26% | 0.264 | 67% | 0.667 | S | S | . | * | trans | -111.3 | 104.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | L83 S87 | L83-A85 VanDerWaalsContact C-N 3.34Å; A85-S87 VanDerWaalsContact C-N 3.28Å; A85-S87 PolarHBondContact O-N 3.34Å | ||
| 86 | V | 26.9 | Very low | 30.5 | Very low | 132 Ų | 132 | 104.8 Ų | 104.8 | 80% | 0.8 | 66% | 0.661 | S | S | * | * | trans | -65.2 | 92.6 | 171.9 | 177.7 | 0 | 0 | 0 | 0 | 107.4 | E88 | V86-E88 HydrophobicContact CG1-CG 4.47Š| ||
| 87 | S | 29.3 | Very low | 30.7 | Very low | 94 Ų | 94 | 104.6 Ų | 104.6 | 66% | 0.657 | 65% | 0.652 | S | S | * | * | trans | -106.5 | 76.2 | 165.7 | -158.2 | 0 | 0 | 0 | 0 | 107.1 | A85 | A85-S87 VanDerWaalsContact C-N 3.28Å; A85-S87 PolarHBondContact O-N 3.34Å | ||
| 88 | E | 31.2 | Very low | 31.3 | Very low | 117 Ų | 117 | 107.4 Ų | 107.4 | 55% | 0.547 | 66% | 0.659 | S | S | . | * | trans | -88.7 | 111.3 | 167.6 | -86.1 | 177.5 | -179.6 | 0 | 0 | 108 | V86 L90 Q129 R131 | V86-E88 HydrophobicContact CG1-CG 4.47Å; E88-L90 PolarHBondContact O-N 2.99Å; E88-Q129 PolarHBondContact OE2-NE2 3.22Å; E88-Q129 VanDerWaalsContact OE2-NE2 3.15Å; E88-R131 VanDerWaalsContact CB-NH2 3.32Å; E88-R131 PolarHBondContact O-NH1 3.35Å; E88-R131 PolarHBondContact O-NH2 3.13Å; E88-R131 IonicContact OE2-NH2 3.25Å | ||
| 89 | A | 34.2 | Very low | 32.4 | Very low | 78 Ų | 78 | 106.1 Ų | 106.1 | 65% | 0.645 | 65% | 0.653 | S | S | * | * | trans | -41.8 | 133.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | P91 | A89-P91 WeakPolarHBondContact O-CD 3.08Š| ||
| 90 | L | 35.8 | Very low | 34.3 | Very low | 68 Ų | 68 | 103.3 Ų | 103.3 | 36% | 0.356 | 64% | 0.637 | S | S | . | * | P | Polyproline II helix | trans | -58.7 | 118.4 | 161.8 | -78.6 | 155.6 | 0 | 0 | 0 | 106.6 | E88 A92 Q421 | E88-L90 PolarHBondContact O-N 2.99Å; L90-A92 PolarHBondContact O-N 3.12Å; L90-Q421 VanDerWaalsContact CD1-CD 3.5Å; L90-Q421 HydrophobicContact CD1-CG 4.42Å |
| 91 | P | 26.9 | Very low | 36.4 | Very low | 83 Ų | 83 | 100.6 Ų | 100.6 | 54% | 0.539 | 61% | 0.613 | S | S | . | * | P | Polyproline II helix | trans | -56.1 | 134.2 | 158.9 | 24 | -29.3 | 0 | 0 | 0 | 106.8 | A89 A93 | A89-P91 WeakPolarHBondContact O-CD 3.08Å; P91-A93 PolarHBondContact O-N 2.9Å |
| 92 | A | 29.8 | Very low | 38.9 | Very low | 54 Ų | 54 | 94.2 Ų | 94.2 | 45% | 0.446 | 58% | 0.583 | S | S | . | * | P | Polyproline II helix | trans | -53.6 | 117.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 107 | L90 T94 | L90-A92 PolarHBondContact O-N 3.12Å; A92-T94 PolarHBondContact O-N 3.32Å |
| 93 | A | 30.4 | Very low | 41.7 | Very low | 74 Ų | 74 | 90.4 Ų | 90.4 | 61% | 0.612 | 55% | 0.551 | S | S | * | * | trans | -61 | 94.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | P91 | P91-A93 PolarHBondContact O-N 2.9Š| ||
| 94 | T | 27.5 | Very low | 44.4 | Very low | 92 Ų | 92 | 84 Ų | 84 | 56% | 0.564 | 52% | 0.518 | S | S | * | . | trans | -59.2 | 139.2 | 159.6 | 42.2 | 0 | 0 | 0 | 0 | 106.5 | A92 D96 D97 | A92-T94 PolarHBondContact O-N 3.32Å; T94-D96 PolarHBondContact O-N 3Å; T94-D97 PolarHBondContact O-N 2.78Å; T94-D97 VanDerWaalsContact O-N 3.17Å | ||
| 95 | A | 36.9 | Very low | 47.3 | Very low | 93 Ų | 93 | 77 Ų | 77 | 77% | 0.769 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | 18.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 96 | D | 33.4 | Very low | 49.8 | Very low | 152 Ų | 152 | 78.5 Ų | 78.5 | 81% | 0.813 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.6 | 4.8 | 179.4 | -98.3 | -17 | 0 | 0 | 0 | 113.7 | T94 D98 | T94-D96 PolarHBondContact O-N 3Å; D96-D98 VanDerWaalsContact C-N 3.33Å; D96-D98 PolarHBondContact O-N 3.31Å; D96-D98 VanDerWaalsContact O-N 3.15Å |
| 97 | D | 37.6 | Very low | 51.9 | Low | 100 Ų | 100 | 75.3 Ų | 75.3 | 54% | 0.535 | 48% | 0.477 | S | S | . | . | trans | -86.2 | 75.3 | 169.8 | -104.6 | -4.9 | 0 | 0 | 0 | 110.3 | T94 D99 | T94-D97 PolarHBondContact O-N 2.78Å; T94-D97 VanDerWaalsContact O-N 3.17Å; D97-D99 PolarHBondContact O-N 3.24Å | ||
| 98 | D | 44.3 | Very low | 54 | Low | 161 Ų | 161 | 71.2 Ų | 71.2 | 86% | 0.861 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | 5.2 | 178 | -146.5 | 15.1 | 0 | 0 | 0 | 113.5 | D96 | D96-D98 VanDerWaalsContact C-N 3.33Å; D96-D98 PolarHBondContact O-N 3.31Å; D96-D98 VanDerWaalsContact O-N 3.15Å |
| 99 | D | 57.5 | Low | 55.5 | Low | 85 Ų | 85 | 69.2 Ų | 69.2 | 46% | 0.455 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | 19.2 | -175.2 | -80.3 | -12 | 0 | 0 | 0 | 113.5 | D97 M142 G143 | D97-D99 PolarHBondContact O-N 3.24Å; D99-M142 WeakPolarHBondContact O-CA 3.38Å; D99-G143 PolarHBondContact O-N 2.78Å |
| 100 | S | 69.7 | Low | 56.7 | Low | 68 Ų | 68 | 67.5 Ų | 67.5 | 48% | 0.476 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 122.3 | 173.3 | 80 | 0 | 0 | 0 | 0 | 112.2 | ||
| 101 | Q | 75.8 | Confident | 57.7 | Low | 46 Ų | 46 | 66.2 Ų | 66.2 | 22% | 0.215 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 136.6 | 179.1 | -65 | -179.9 | 14 | 0 | 0 | 110.8 | V141 A145 L150 | Q101-V141 PolarHBondContact N-O 3.11Å; Q101-V141 PolarHBondContact O-N 2.91Å; Q101-A145 PolarHBondContact NE2-O 2.84Å; Q101-A145 PolarHBondContact OE1-O 3.45Å; Q101-L150 HydrophobicContact CB-CD1 4.37Å |
| 102 | Q | 80.7 | Confident | 59.2 | Low | 71 Ų | 71 | 64.4 Ų | 64.4 | 33% | 0.332 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 126.6 | 179.6 | -77.1 | 171.6 | -19.7 | 0 | 0 | 111 | A139 L140 R170 | Q102-A139 CarbonylContact C-O 3.53Å; Q102-A139 WeakPolarHBondContact CA-O 3.41Å; Q102-L140 HydrophobicContact CG-CD1 3.51Å; Q102-R170 VanDerWaalsContact CB-CZ 3.49Å; Q102-R170 VanDerWaalsContact CD-NH1 3.27Å |
| 103 | L | 86.1 | Confident | 61.2 | Low | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 135.4 | -178.7 | -55.1 | 170.6 | 0 | 0 | 0 | 109.9 | L105 L121 T138 A139 V141 L150 V151 E162 A163 | L103-L105 HydrophobicContact CB-CD2 4.31Å; L103-L121 HydrophobicContact CD1-CD2 3.77Å; L103-T138 CarbonylContact O-C 3.54Å; L103-T138 WeakPolarHBondContact O-CA 3.35Å; L103-A139 HydrophobicContact CB-CB 4.26Å; L103-A139 HydrophobicContact CD1-CB 4.43Å; L103-A139 PolarHBondContact N-O 3.49Å; L103-A139 PolarHBondContact O-N 2.78Å; L103-V141 HydrophobicContact CD1-CG2 4.09Å; L103-L150 HydrophobicContact CD1-CB 3.73Å; L103-L150 HydrophobicContact CD1-CD1 4.25Å; L103-V151 HydrophobicContact CD2-CG2 4.24Å; L103-E162 CarbonylContact C-O 3.56Å; L103-E162 WeakPolarHBondContact CA-O 3.43Å; L103-A163 HydrophobicContact CD2-CB 3.83Å |
| 104 | L | 84.9 | Confident | 63.3 | Low | 13 Ų | 13 | 59.7 Ų | 59.7 | 7% | 0.068 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 127 | 164.6 | -174 | 69 | 0 | 0 | 0 | 109 | T138 A161 E162 I164 R173 Q174 | L104-T138 HydrophobicContact CD1-CG2 4.24Å; L104-A161 CarbonylContact O-C 3.55Å; L104-A161 VanDerWaalsContact O-CA 3.23Å; L104-A161 WeakPolarHBondContact O-CA 3.41Å; L104-E162 PolarHBondContact N-O 2.75Å; L104-E162 PolarHBondContact O-N 3.36Å; L104-I164 HydrophobicContact CB-CD1 4.33Å; L104-I164 HydrophobicContact CD2-CD1 4.11Å; L104-R173 HydrophobicContact CD2-CB 4.26Å; L104-R173 HydrophobicContact CD2-CG 3.81Å; L104-Q174 HydrophobicContact CD1-CG 3.44Å; L104-Q174 VanDerWaalsContact CD1-CG 3.44Å |
| 105 | L | 86.1 | Confident | 65.6 | Low | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.021 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 151.3 | -174.2 | -56.4 | 173.5 | 0 | 0 | 0 | 111.2 | L103 M108 V117 V132 R137 A139 V154 G160 A161 | L103-L105 HydrophobicContact CB-CD2 4.31Å; L105-M108 HydrophobicContact CB-CE 3.73Å; L105-M108 HydrophobicContact CD1-CE 3.31Å; L105-M108 HydrophobicContact CD1-SD 3.92Å; L105-M108 HydrophobicContact CG-CE 4.19Å; L105-V117 HydrophobicContact CD1-CG1 3.92Å; L105-V117 HydrophobicContact CD2-CG1 4.17Å; L105-V132 HydrophobicContact CD1-CG1 3.64Å; L105-R137 WeakPolarHBondContact CA-O 3.39Å; L105-R137 WeakPolarHBondContact CB-O 3.5Å; L105-R137 PolarHBondContact N-O 2.84Å; L105-R137 WeakPolarHBondContact O-CB 3.36Å; L105-A139 HydrophobicContact CD1-CB 3.98Å; L105-A139 HydrophobicContact CD2-CB 4.43Å; L105-A139 HydrophobicContact CG-CB 4.41Å; L105-V154 HydrophobicContact CD2-CG1 3.91Å; L105-V154 HydrophobicContact CD2-CG2 4.11Å; L105-G160 CarbonylContact C-O 3.59Å; L105-G160 VanDerWaalsContact CA-O 3.32Å; L105-G160 WeakPolarHBondContact CA-O 3.12Å; L105-A161 HydrophobicContact CD2-CB 4.03Å |
| 106 | S | 80.8 | Confident | 67.6 | Low | 64 Ų | 64 | 57.7 Ų | 57.7 | 45% | 0.448 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 147.6 | 176.6 | 65 | 0 | 0 | 0 | 0 | 112.5 | Y159 G160 | S106-Y159 WeakPolarHBondContact O-CB 3.43Å; S106-G160 PolarHBondContact N-O 3.44Å; S106-G160 PolarHBondContact O-N 3.22Å; S106-G160 VanDerWaalsContact OG-CA 3.31Å; S106-G160 WeakPolarHBondContact OG-CA 3.02Å; S106-G160 PolarHBondContact OG-O 3.43Å |
| 107 | G | 71 | Confident | 70.1 | Confident | 64 Ų | 64 | 50.5 Ų | 50.5 | 66% | 0.66 | 31% | 0.308 | S | S | * | . | S | Bend | trans | 89.9 | -2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 108 | M | 74.4 | Confident | 72.6 | Confident | 9 Ų | 9 | 48.5 Ų | 48.5 | 4% | 0.044 | 30% | 0.296 | C | S | . | . | trans | -79.9 | 134.2 | 172.7 | -59.4 | -169.6 | -59.3 | 0 | 0 | 111.5 | L105 C113 V117 V132 L134 Y159 | L105-M108 HydrophobicContact CB-CE 3.73Å; L105-M108 HydrophobicContact CD1-CE 3.31Å; L105-M108 HydrophobicContact CD1-SD 3.92Å; L105-M108 HydrophobicContact CG-CE 4.19Å; M108-C113 HydrophobicContact CB-CB 3.76Å; M108-C113 HydrophobicContact CG-CB 3.89Å; M108-C113 HydrophobicContact SD-CB 4.42Å; M108-V117 HydrophobicContact CG-CG2 4.12Å; M108-V117 HydrophobicContact SD-CB 4.02Å; M108-V117 HydrophobicContact SD-CG1 4.43Å; M108-V117 HydrophobicContact SD-CG2 3.58Å; M108-V117 VanDerWaalsContact SD-CG2 3.58Å; M108-V132 HydrophobicContact CE-CG1 3.71Å; M108-V132 HydrophobicContact SD-CG1 3.84Å; M108-L134 HydrophobicContact CB-CD1 3.89Å; M108-L134 HydrophobicContact CE-CD1 4.37Å; M108-Y159 HydrophobicContact CB-CD1 4.47Å; M108-Y159 HydrophobicContact CG-CD1 3.68Å; M108-Y159 HydrophobicContact CG-CE1 3.98Å; M108-Y159 HydrophobicContact CG-CG 4.15Å | ||
| 109 | S | 62.9 | Low | 74.6 | Confident | 75 Ų | 75 | 45 Ų | 45 | 52% | 0.524 | 28% | 0.278 | S | S | . | . | trans | -127 | -17.7 | -178.6 | 58.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 110 | C | 58.7 | Low | 76.1 | Confident | 41 Ų | 41 | 41.8 Ų | 41.8 | 28% | 0.277 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -147.3 | 170.9 | -175.4 | 62.7 | 0 | 0 | 0 | 0 | 112.6 | S112 C113 V114 | C110-S112 PolarHBondContact O-N 2.85Å; C110-S112 PolarHBondContact SG-OG 3.33Å; C110-C113 WeakPolarHBondContact O-CA 3.27Å; C110-C113 VanDerWaalsContact O-CB 3.22Å; C110-C113 WeakPolarHBondContact O-CB 3.33Å; C110-C113 PolarHBondContact O-N 3.38Å; C110-V114 PolarHBondContact O-N 2.8Å |
| 111 | A | 56.2 | Low | 77.2 | Confident | 42 Ų | 42 | 38.5 Ų | 38.5 | 35% | 0.347 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -56.3 | -35.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | C113 V114 T115 | A111-C113 PolarHBondContact O-N 3.14Å; A111-V114 VanDerWaalsContact O-CB 3.31Å; A111-V114 WeakPolarHBondContact O-CB 3.31Å; A111-V114 PolarHBondContact O-N 2.98Å; A111-T115 PolarHBondContact O-N 2.83Å; A111-T115 VanDerWaalsContact O-N 3.17Å; A111-T115 PolarHBondContact O-OG1 3.24Å |
| 112 | S | 59.6 | Low | 77.9 | Confident | 45 Ų | 45 | 40.5 Ų | 40.5 | 32% | 0.315 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.4 | -24.4 | 175.4 | 80.3 | 0 | 0 | 0 | 0 | 113.5 | C110 R116 | C110-S112 PolarHBondContact O-N 2.85Å; C110-S112 PolarHBondContact SG-OG 3.33Å; S112-R116 WeakPolarHBondContact O-CG 3.49Å; S112-R116 PolarHBondContact O-N 3.31Å; S112-R116 PolarHBondContact O-NE 2.84Å; S112-R116 PolarHBondContact OG-NH2 3.49Å |
| 113 | C | 70.9 | Confident | 78.3 | Confident | 5 Ų | 5 | 41.7 Ų | 41.7 | 3% | 0.034 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -72.8 | -41 | 173.1 | -59.4 | 0 | 0 | 0 | 0 | 110.8 | M108 C110 A111 R116 V117 Y159 | M108-C113 HydrophobicContact CB-CB 3.76Å; M108-C113 HydrophobicContact CG-CB 3.89Å; M108-C113 HydrophobicContact SD-CB 4.42Å; C110-C113 WeakPolarHBondContact O-CA 3.27Å; C110-C113 VanDerWaalsContact O-CB 3.22Å; C110-C113 WeakPolarHBondContact O-CB 3.33Å; C110-C113 PolarHBondContact O-N 3.38Å; A111-C113 PolarHBondContact O-N 3.14Å; C113-R116 PolarHBondContact O-N 2.78Å; C113-V117 WeakPolarHBondContact O-CG2 3.44Å; C113-V117 PolarHBondContact O-N 2.98Å; C113-Y159 WeakPolarHBondContact CA-OH 3.47Å; C113-Y159 HydrophobicContact CB-CE1 3.81Å; C113-Y159 WeakPolarHBondContact CB-OH 3.33Å; C113-Y159 PolarHBondContact SG-OH 3.5Å |
| 114 | V | 75.2 | Confident | 78.6 | Confident | 24 Ų | 24 | 42.7 Ų | 42.7 | 15% | 0.145 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.1 | -54.8 | 178.6 | -177.5 | 0 | 0 | 0 | 0 | 110.3 | C110 A111 R116 V117 Q118 V132 L134 | C110-V114 PolarHBondContact O-N 2.8Å; A111-V114 VanDerWaalsContact O-CB 3.31Å; A111-V114 WeakPolarHBondContact O-CB 3.31Å; A111-V114 PolarHBondContact O-N 2.98Å; V114-R116 PolarHBondContact O-N 3.09Å; V114-V117 PolarHBondContact O-N 3.32Å; V114-Q118 VanDerWaalsContact O-CB 3.28Å; V114-Q118 WeakPolarHBondContact O-CB 3.12Å; V114-Q118 PolarHBondContact O-N 3.16Å; V114-V132 HydrophobicContact CB-CG1 4.45Å; V114-V132 HydrophobicContact CG1-CB 3.77Å; V114-V132 HydrophobicContact CG1-CG1 3.91Å; V114-V132 WeakPolarHBondContact CG1-O 3.48Å; V114-L134 HydrophobicContact CG2-CB 3.66Å; V114-L134 HydrophobicContact CG2-CD1 3.96Å; V114-L134 HydrophobicContact CG2-CD2 4.01Å; V114-L134 HydrophobicContact CG2-CG 4.08Å |
| 115 | T | 75.8 | Confident | 78.8 | Confident | 77 Ų | 77 | 47.7 Ų | 47.7 | 47% | 0.472 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.7 | -38.4 | 179.7 | -48.3 | 0 | 0 | 0 | 0 | 111.7 | A111 N119 | A111-T115 PolarHBondContact O-N 2.83Å; A111-T115 VanDerWaalsContact O-N 3.17Å; A111-T115 PolarHBondContact O-OG1 3.24Å; T115-N119 VanDerWaalsContact O-CB 3.31Å; T115-N119 WeakPolarHBondContact O-CB 3.41Å; T115-N119 PolarHBondContact O-N 3.26Å; T115-N119 PolarHBondContact O-ND2 2.95Å; T115-N119 PolarHBondContact O-OD1 3.24Å |
| 116 | R | 78.3 | Confident | 78.7 | Confident | 66 Ų | 66 | 48.8 Ų | 48.8 | 25% | 0.249 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.9 | -47.2 | 177.7 | -82.1 | -177.5 | -78.4 | -174.7 | -5.4 | 112.8 | S112 C113 V114 Q118 N119 A120 Y159 N247 | S112-R116 WeakPolarHBondContact O-CG 3.49Å; S112-R116 PolarHBondContact O-N 3.31Å; S112-R116 PolarHBondContact O-NE 2.84Å; S112-R116 PolarHBondContact OG-NH2 3.49Å; C113-R116 PolarHBondContact O-N 2.78Å; V114-R116 PolarHBondContact O-N 3.09Å; R116-Q118 VanDerWaalsContact C-N 3.32Å; R116-N119 PolarHBondContact O-N 2.93Å; R116-A120 VanDerWaalsContact O-CB 3.31Å; R116-A120 WeakPolarHBondContact O-CB 3.5Å; R116-A120 PolarHBondContact O-N 3.49Å; R116-Y159 HydrophobicContact CB-CE2 4.36Å; R116-Y159 PolarHBondContact NE-OH 2.69Å; R116-N247 PolarHBondContact NH1-ND2 3.23Å |
| 117 | V | 85.8 | Confident | 79.1 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.9 | -41.2 | 177.5 | 174.4 | 0 | 0 | 0 | 0 | 110.3 | L105 M108 C113 V114 A120 L121 V132 V154 Y159 | L105-V117 HydrophobicContact CD1-CG1 3.92Å; L105-V117 HydrophobicContact CD2-CG1 4.17Å; M108-V117 HydrophobicContact CG-CG2 4.12Å; M108-V117 HydrophobicContact SD-CB 4.02Å; M108-V117 HydrophobicContact SD-CG1 4.43Å; M108-V117 HydrophobicContact SD-CG2 3.58Å; M108-V117 VanDerWaalsContact SD-CG2 3.58Å; C113-V117 WeakPolarHBondContact O-CG2 3.44Å; C113-V117 PolarHBondContact O-N 2.98Å; V114-V117 PolarHBondContact O-N 3.32Å; V117-A120 PolarHBondContact O-N 3.14Å; V117-L121 HydrophobicContact CG1-CD1 3.84Å; V117-L121 HydrophobicContact CG1-CG 4.33Å; V117-L121 WeakPolarHBondContact O-CB 3.24Å; V117-L121 VanDerWaalsContact O-CG 3.28Å; V117-L121 WeakPolarHBondContact O-CG 3.13Å; V117-L121 PolarHBondContact O-N 2.92Å; V117-V132 HydrophobicContact CB-CG2 4.14Å; V117-V132 HydrophobicContact CG1-CG1 4.41Å; V117-V132 HydrophobicContact CG1-CG2 3.75Å; V117-V154 HydrophobicContact CG1-CG1 4.33Å; V117-V154 HydrophobicContact CG1-CG2 4.01Å; V117-V154 HydrophobicContact CG2-CG1 4.46Å; V117-Y159 HydrophobicContact CG2-CD2 3.29Å; V117-Y159 HydrophobicContact CG2-CE2 3.67Å; V117-Y159 HydrophobicContact CG2-CG 3.82Å |
| 118 | Q | 88.9 | Confident | 79.7 | Confident | 58 Ų | 58 | 49.1 Ų | 49.1 | 27% | 0.271 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.3 | -49.1 | 176.8 | -174.8 | 174.1 | -47.6 | 0 | 0 | 111.5 | V114 R116 A120 L121 Q122 A130 V132 | V114-Q118 VanDerWaalsContact O-CB 3.28Å; V114-Q118 WeakPolarHBondContact O-CB 3.12Å; V114-Q118 PolarHBondContact O-N 3.16Å; R116-Q118 VanDerWaalsContact C-N 3.32Å; Q118-A120 VanDerWaalsContact C-N 3.3Å; Q118-A120 PolarHBondContact O-N 3.37Å; Q118-L121 PolarHBondContact O-N 3.25Å; Q118-Q122 HydrophobicContact CG-CG 4.38Å; Q118-Q122 WeakPolarHBondContact O-CB 3.44Å; Q118-Q122 VanDerWaalsContact O-CG 3.3Å; Q118-Q122 WeakPolarHBondContact O-CG 3.22Å; Q118-Q122 PolarHBondContact O-N 3.24Å; Q118-A130 WeakPolarHBondContact CG-O 3.34Å; Q118-V132 HydrophobicContact CB-CG2 3.89Å |
| 119 | N | 86.6 | Confident | 80 | Confident | 89 Ų | 89 | 50.6 Ų | 50.6 | 48% | 0.476 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.4 | -37.8 | 177.4 | -68.2 | -3.3 | 0 | 0 | 0 | 111.7 | T115 R116 S123 | T115-N119 VanDerWaalsContact O-CB 3.31Å; T115-N119 WeakPolarHBondContact O-CB 3.41Å; T115-N119 PolarHBondContact O-N 3.26Å; T115-N119 PolarHBondContact O-ND2 2.95Å; T115-N119 PolarHBondContact O-OD1 3.24Å; R116-N119 PolarHBondContact O-N 2.93Å; N119-S123 WeakPolarHBondContact O-CB 3.49Å; N119-S123 PolarHBondContact O-N 2.82Å; N119-S123 PolarHBondContact O-OG 2.75Å |
| 120 | A | 89.9 | Confident | 81 | Confident | 16 Ų | 16 | 47.1 Ų | 47.1 | 13% | 0.132 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.3 | -44.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | R116 V117 Q118 S123 A157 | R116-A120 VanDerWaalsContact O-CB 3.31Å; R116-A120 WeakPolarHBondContact O-CB 3.5Å; R116-A120 PolarHBondContact O-N 3.49Å; V117-A120 PolarHBondContact O-N 3.14Å; Q118-A120 VanDerWaalsContact C-N 3.3Å; Q118-A120 PolarHBondContact O-N 3.37Å; A120-S123 PolarHBondContact O-N 2.91Å; A120-S123 PolarHBondContact O-OG 3.29Å; A120-A157 HydrophobicContact CB-CB 3.82Å |
| 121 | L | 92.2 | Very high | 82 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -66.1 | -45.6 | 176.3 | -69.3 | 168.7 | 0 | 0 | 0 | 111.9 | L103 V117 Q118 S123 V124 V127 A130 V132 A139 V141 L150 V154 | L103-L121 HydrophobicContact CD1-CD2 3.77Å; V117-L121 HydrophobicContact CG1-CD1 3.84Å; V117-L121 HydrophobicContact CG1-CG 4.33Å; V117-L121 WeakPolarHBondContact O-CB 3.24Å; V117-L121 VanDerWaalsContact O-CG 3.28Å; V117-L121 WeakPolarHBondContact O-CG 3.13Å; V117-L121 PolarHBondContact O-N 2.92Å; Q118-L121 PolarHBondContact O-N 3.25Å; L121-S123 PolarHBondContact O-N 2.85Å; L121-V124 WeakPolarHBondContact O-CB 3.47Å; L121-V124 PolarHBondContact O-N 2.92Å; L121-V124 VanDerWaalsContact O-N 3.08Å; L121-V127 WeakPolarHBondContact O-CG2 3.16Å; L121-A130 HydrophobicContact CB-CB 3.48Å; L121-A130 VanDerWaalsContact CB-CB 3.48Å; L121-A130 HydrophobicContact CD1-CB 4.21Å; L121-A130 HydrophobicContact CG-CB 4.49Å; L121-V132 HydrophobicContact CD1-CG2 4.04Å; L121-A139 HydrophobicContact CD1-CB 3.49Å; L121-A139 VanDerWaalsContact CD1-CB 3.49Å; L121-V141 HydrophobicContact CD1-CG2 4.04Å; L121-V141 HydrophobicContact CD2-CG2 4.11Å; L121-V141 HydrophobicContact CG-CG2 4.49Å; L121-L150 HydrophobicContact CD2-CB 3.97Å; L121-L150 HydrophobicContact CD2-CD2 3.95Å; L121-V154 HydrophobicContact CD1-CG2 4.41Å; L121-V154 HydrophobicContact CD2-CG2 3.65Å; L121-V154 HydrophobicContact CG-CG2 4.01Å |
| 122 | Q | 91.2 | Very high | 83.1 | Confident | 88 Ų | 88 | 47.8 Ų | 47.8 | 41% | 0.411 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.3 | -24.3 | 176.6 | -73.3 | 177 | -9.3 | 0 | 0 | 113 | Q118 V124 A130 | Q118-Q122 HydrophobicContact CG-CG 4.38Å; Q118-Q122 WeakPolarHBondContact O-CB 3.44Å; Q118-Q122 VanDerWaalsContact O-CG 3.3Å; Q118-Q122 WeakPolarHBondContact O-CG 3.22Å; Q118-Q122 PolarHBondContact O-N 3.24Å; Q122-V124 VanDerWaalsContact C-N 3.31Å; Q122-A130 HydrophobicContact CG-CB 4.03Å; Q122-A130 PolarHBondContact NE2-O 2.98Å |
| 123 | S | 89.6 | Confident | 83.6 | Confident | 95 Ų | 95 | 46.9 Ų | 46.9 | 66% | 0.664 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -8.2 | 176.8 | 70.7 | 0 | 0 | 0 | 0 | 114.4 | N119 A120 L121 | N119-S123 WeakPolarHBondContact O-CB 3.49Å; N119-S123 PolarHBondContact O-N 2.82Å; N119-S123 PolarHBondContact O-OG 2.75Å; A120-S123 PolarHBondContact O-N 2.91Å; A120-S123 PolarHBondContact O-OG 3.29Å; L121-S123 PolarHBondContact O-N 2.85Å |
| 124 | V | 91.7 | Very high | 83.6 | Confident | 22 Ų | 22 | 49 Ų | 49 | 13% | 0.133 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -77.2 | 128.9 | 176.9 | -177.5 | 0 | 0 | 0 | 0 | 109.8 | L121 Q122 G126 V127 A145 D149 L150 A153 | L121-V124 WeakPolarHBondContact O-CB 3.47Å; L121-V124 PolarHBondContact O-N 2.92Å; L121-V124 VanDerWaalsContact O-N 3.08Å; Q122-V124 VanDerWaalsContact C-N 3.31Å; V124-G126 PolarHBondContact O-N 2.82Å; V124-V127 HydrophobicContact CB-CG2 3.89Å; V124-V127 HydrophobicContact CG1-CG2 4.35Å; V124-V127 WeakPolarHBondContact O-CB 3.48Å; V124-V127 PolarHBondContact O-N 3.11Å; V124-V127 VanDerWaalsContact O-N 3.16Å; V124-A145 HydrophobicContact CG1-CB 4Å; V124-D149 HydrophobicContact CG1-CB 3.98Å; V124-L150 HydrophobicContact CB-CD2 4.13Å; V124-L150 HydrophobicContact CG1-CD2 4.1Å; V124-L150 HydrophobicContact CG2-CD2 4.23Å; V124-A153 HydrophobicContact CG2-CB 3.38Å |
| 125 | S | 88.1 | Confident | 82.9 | Confident | 118 Ų | 118 | 50.8 Ų | 50.8 | 83% | 0.825 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | 131.9 | 176.7 | -168.6 | 0 | 0 | 0 | 0 | 110.7 | ||
| 126 | G | 85.7 | Confident | 82.4 | Confident | 27 Ų | 27 | 50 Ų | 50 | 28% | 0.278 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.9 | -11.8 | -176 | 0 | 0 | 0 | 0 | 0 | 114.3 | V124 T128 G143 S144 | V124-G126 PolarHBondContact O-N 2.82Å; G126-T128 PolarHBondContact O-N 3.39Å; G126-G143 CarbonylContact O-C 3.5Å; G126-G143 WeakPolarHBondContact O-CA 3.36Å; G126-S144 PolarHBondContact O-N 2.8Å |
| 127 | V | 87.9 | Confident | 82.3 | Confident | 21 Ų | 21 | 50.4 Ų | 50.4 | 13% | 0.127 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 118.8 | 172.9 | 176.5 | 0 | 0 | 0 | 0 | 110.1 | L121 V124 A130 V141 A145 L150 | L121-V127 WeakPolarHBondContact O-CG2 3.16Å; V124-V127 HydrophobicContact CB-CG2 3.89Å; V124-V127 HydrophobicContact CG1-CG2 4.35Å; V124-V127 WeakPolarHBondContact O-CB 3.48Å; V124-V127 PolarHBondContact O-N 3.11Å; V124-V127 VanDerWaalsContact O-N 3.16Å; V127-A130 HydrophobicContact CG1-CB 4.08Å; V127-V141 HydrophobicContact CB-CG1 4.27Å; V127-V141 HydrophobicContact CG1-CG1 3.76Å; V127-V141 HydrophobicContact CG2-CG1 3.6Å; V127-A145 HydrophobicContact CG2-CB 3.62Å; V127-L150 HydrophobicContact CG2-CD2 3.5Å |
| 128 | T | 85 | Confident | 82.1 | Confident | 113 Ų | 113 | 51 Ų | 51 | 69% | 0.693 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84 | -39.6 | 172.6 | 56.7 | 0 | 0 | 0 | 0 | 110.8 | G126 M142 | G126-T128 PolarHBondContact O-N 3.39Å; T128-M142 PolarHBondContact N-O 3.17Å; T128-M142 VanDerWaalsContact OG1-C 3.27Å; T128-M142 WeakPolarHBondContact OG1-CB 3.27Å; T128-M142 PolarHBondContact OG1-O 3.33Å |
| 129 | Q | 80.3 | Confident | 81.9 | Confident | 41 Ų | 41 | 48.3 Ų | 48.3 | 19% | 0.192 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 140 | 176.7 | -163.5 | 175.4 | 45.1 | 0 | 0 | 110.3 | E88 R131 V141 M142 | E88-Q129 PolarHBondContact OE2-NE2 3.22Å; E88-Q129 VanDerWaalsContact OE2-NE2 3.15Å; Q129-R131 HydrophobicContact CG-CG 4.41Å; Q129-R131 VanDerWaalsContact NE2-NH2 3.14Å; Q129-V141 CarbonylContact O-C 3.47Å; Q129-V141 WeakPolarHBondContact O-CA 3.5Å; Q129-M142 HydrophobicContact CB-CE 3.59Å; Q129-M142 HydrophobicContact CG-CE 4.22Å; Q129-M142 PolarHBondContact N-O 3.27Å; Q129-M142 PolarHBondContact O-N 2.88Å |
| 130 | A | 83.6 | Confident | 81.7 | Confident | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.008 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 135.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | Q118 L121 Q122 V127 L140 V141 | Q118-A130 WeakPolarHBondContact CG-O 3.34Å; L121-A130 HydrophobicContact CB-CB 3.48Å; L121-A130 VanDerWaalsContact CB-CB 3.48Å; L121-A130 HydrophobicContact CD1-CB 4.21Å; L121-A130 HydrophobicContact CG-CB 4.49Å; Q122-A130 HydrophobicContact CG-CB 4.03Å; Q122-A130 PolarHBondContact NE2-O 2.98Å; V127-A130 HydrophobicContact CG1-CB 4.08Å; A130-L140 WeakPolarHBondContact CA-O 3.39Å; A130-V141 HydrophobicContact CB-CG2 4.21Å |
| 131 | R | 78.8 | Confident | 81.5 | Confident | 80 Ų | 80 | 45.8 Ų | 45.8 | 30% | 0.302 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 130.6 | 176.7 | -64.9 | -173.4 | 178.1 | -165.5 | -1.7 | 108.9 | E88 Q129 A139 L140 | E88-R131 VanDerWaalsContact CB-NH2 3.32Å; E88-R131 PolarHBondContact O-NH1 3.35Å; E88-R131 PolarHBondContact O-NH2 3.13Å; E88-R131 IonicContact OE2-NH2 3.25Å; Q129-R131 HydrophobicContact CG-CG 4.41Å; Q129-R131 VanDerWaalsContact NE2-NH2 3.14Å; R131-A139 CarbonylContact O-C 3.59Å; R131-A139 VanDerWaalsContact O-CA 3.29Å; R131-A139 WeakPolarHBondContact O-CA 3.17Å; R131-L140 PolarHBondContact N-O 3.33Å; R131-L140 PolarHBondContact O-N 3.09Å |
| 132 | V | 80.8 | Confident | 81 | Confident | 17 Ų | 17 | 48 Ų | 48 | 10% | 0.103 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 123.5 | -176.5 | 177.8 | 0 | 0 | 0 | 0 | 110 | L105 M108 V114 V117 Q118 L121 A139 | L105-V132 HydrophobicContact CD1-CG1 3.64Å; M108-V132 HydrophobicContact CE-CG1 3.71Å; M108-V132 HydrophobicContact SD-CG1 3.84Å; V114-V132 HydrophobicContact CB-CG1 4.45Å; V114-V132 HydrophobicContact CG1-CB 3.77Å; V114-V132 HydrophobicContact CG1-CG1 3.91Å; V114-V132 WeakPolarHBondContact CG1-O 3.48Å; V117-V132 HydrophobicContact CB-CG2 4.14Å; V117-V132 HydrophobicContact CG1-CG1 4.41Å; V117-V132 HydrophobicContact CG1-CG2 3.75Å; Q118-V132 HydrophobicContact CB-CG2 3.89Å; L121-V132 HydrophobicContact CD1-CG2 4.04Å; V132-A139 HydrophobicContact CG2-CB 4.13Å |
| 133 | N | 70.3 | Confident | 80.6 | Confident | 26 Ų | 26 | 44.1 Ų | 44.1 | 14% | 0.139 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 108.8 | 176.5 | -178.6 | -14.5 | 0 | 0 | 0 | 109.9 | A135 E136 R137 T138 S424 | N133-A135 VanDerWaalsContact C-N 3.33Å; N133-A135 PolarHBondContact O-N 3.34Å; N133-A135 WeakPolarHBondContact OD1-CA 3.3Å; N133-A135 WeakPolarHBondContact OD1-CB 3.33Å; N133-A135 PolarHBondContact OD1-N 3.3Å; N133-E136 WeakPolarHBondContact ND2-CG 3.45Å; N133-E136 PolarHBondContact OD1-N 2.83Å; N133-E136 VanDerWaalsContact OD1-N 3.16Å; N133-R137 VanDerWaalsContact O-CA 3.24Å; N133-R137 WeakPolarHBondContact O-CA 3.06Å; N133-R137 PolarHBondContact O-N 3.17Å; N133-T138 PolarHBondContact N-O 2.75Å; N133-T138 PolarHBondContact O-N 2.78Å; N133-T138 VanDerWaalsContact O-N 3.07Å; N133-S424 WeakPolarHBondContact ND2-CB 3.27Å |
| 134 | L | 69 | Low | 80.3 | Confident | 49 Ų | 49 | 43.9 Ų | 43.9 | 26% | 0.257 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -32.8 | 178.6 | -172.6 | 59.6 | 0 | 0 | 0 | 112.9 | M108 V114 | M108-L134 HydrophobicContact CB-CD1 3.89Å; M108-L134 HydrophobicContact CE-CD1 4.37Å; V114-L134 HydrophobicContact CG2-CB 3.66Å; V114-L134 HydrophobicContact CG2-CD1 3.96Å; V114-L134 HydrophobicContact CG2-CD2 4.01Å; V114-L134 HydrophobicContact CG2-CG 4.08Å |
| 135 | A | 61 | Low | 80 | Confident | 62 Ų | 62 | 43 Ų | 43 | 51% | 0.512 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -43.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | N133 | N133-A135 VanDerWaalsContact C-N 3.33Å; N133-A135 PolarHBondContact O-N 3.34Å; N133-A135 WeakPolarHBondContact OD1-CA 3.3Å; N133-A135 WeakPolarHBondContact OD1-CB 3.33Å; N133-A135 PolarHBondContact OD1-N 3.3Å |
| 136 | E | 64.9 | Low | 80 | Confident | 61 Ų | 61 | 39.5 Ų | 39.5 | 29% | 0.285 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -9.6 | 177.1 | -66.3 | -173.6 | 170.5 | 0 | 0 | 113.4 | N133 T138 Q174 | N133-E136 WeakPolarHBondContact ND2-CG 3.45Å; N133-E136 PolarHBondContact OD1-N 2.83Å; N133-E136 VanDerWaalsContact OD1-N 3.16Å; E136-T138 VanDerWaalsContact C-N 3.29Å; E136-T138 HydrophobicContact CB-CG2 4.14Å; E136-T138 WeakPolarHBondContact CB-OG1 3.29Å; E136-T138 PolarHBondContact O-N 3.16Å; E136-T138 PolarHBondContact OE2-OG1 3.13Å; E136-Q174 PolarHBondContact O-NE2 2.82Å |
| 137 | R | 76.3 | Confident | 80 | Confident | 75 Ų | 75 | 40.5 Ų | 40.5 | 28% | 0.283 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 50.4 | -169.5 | -55.6 | 177 | 171.5 | 172.6 | -2.6 | 110.8 | L105 N133 T181 | L105-R137 WeakPolarHBondContact CA-O 3.39Å; L105-R137 WeakPolarHBondContact CB-O 3.5Å; L105-R137 PolarHBondContact N-O 2.84Å; L105-R137 WeakPolarHBondContact O-CB 3.36Å; N133-R137 VanDerWaalsContact O-CA 3.24Å; N133-R137 WeakPolarHBondContact O-CA 3.06Å; N133-R137 PolarHBondContact O-N 3.17Å; R137-T181 PolarHBondContact NH1-OG1 3.37Å; R137-T181 VanDerWaalsContact NH1-OG1 3.15Å |
| 138 | T | 81.4 | Confident | 80.1 | Confident | 13 Ų | 13 | 46.6 Ų | 46.6 | 8% | 0.08 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 156.2 | 178.9 | 48.7 | 0 | 0 | 0 | 0 | 110.8 | L103 L104 N133 E136 | L103-T138 CarbonylContact O-C 3.54Å; L103-T138 WeakPolarHBondContact O-CA 3.35Å; L104-T138 HydrophobicContact CD1-CG2 4.24Å; N133-T138 PolarHBondContact N-O 2.75Å; N133-T138 PolarHBondContact O-N 2.78Å; N133-T138 VanDerWaalsContact O-N 3.07Å; E136-T138 VanDerWaalsContact C-N 3.29Å; E136-T138 HydrophobicContact CB-CG2 4.14Å; E136-T138 WeakPolarHBondContact CB-OG1 3.29Å; E136-T138 PolarHBondContact O-N 3.16Å; E136-T138 PolarHBondContact OE2-OG1 3.13Å |
| 139 | A | 85 | Confident | 80.3 | Confident | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.008 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 137.3 | 160.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | Q102 L103 L105 L121 R131 V132 V141 | Q102-A139 CarbonylContact C-O 3.53Å; Q102-A139 WeakPolarHBondContact CA-O 3.41Å; L103-A139 HydrophobicContact CB-CB 4.26Å; L103-A139 HydrophobicContact CD1-CB 4.43Å; L103-A139 PolarHBondContact N-O 3.49Å; L103-A139 PolarHBondContact O-N 2.78Å; L105-A139 HydrophobicContact CD1-CB 3.98Å; L105-A139 HydrophobicContact CD2-CB 4.43Å; L105-A139 HydrophobicContact CG-CB 4.41Å; L121-A139 HydrophobicContact CD1-CB 3.49Å; L121-A139 VanDerWaalsContact CD1-CB 3.49Å; R131-A139 CarbonylContact O-C 3.59Å; R131-A139 VanDerWaalsContact O-CA 3.29Å; R131-A139 WeakPolarHBondContact O-CA 3.17Å; V132-A139 HydrophobicContact CG2-CB 4.13Å; A139-V141 HydrophobicContact CB-CG2 4.34Å |
| 140 | L | 83.8 | Confident | 80.9 | Confident | 50 Ų | 50 | 42.9 Ų | 42.9 | 26% | 0.262 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 123.1 | 162.3 | 178.5 | 65.3 | 0 | 0 | 0 | 107 | Q102 A130 R131 | Q102-L140 HydrophobicContact CG-CD1 3.51Å; A130-L140 WeakPolarHBondContact CA-O 3.39Å; R131-L140 PolarHBondContact N-O 3.33Å; R131-L140 PolarHBondContact O-N 3.09Å |
| 141 | V | 84.9 | Confident | 81.2 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.012 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 129.9 | 178.3 | -174.7 | 0 | 0 | 0 | 0 | 107.3 | Q101 L103 L121 V127 Q129 A130 A139 L150 | Q101-V141 PolarHBondContact N-O 3.11Å; Q101-V141 PolarHBondContact O-N 2.91Å; L103-V141 HydrophobicContact CD1-CG2 4.09Å; L121-V141 HydrophobicContact CD1-CG2 4.04Å; L121-V141 HydrophobicContact CD2-CG2 4.11Å; L121-V141 HydrophobicContact CG-CG2 4.49Å; V127-V141 HydrophobicContact CB-CG1 4.27Å; V127-V141 HydrophobicContact CG1-CG1 3.76Å; V127-V141 HydrophobicContact CG2-CG1 3.6Å; Q129-V141 CarbonylContact O-C 3.47Å; Q129-V141 WeakPolarHBondContact O-CA 3.5Å; A130-V141 HydrophobicContact CB-CG2 4.21Å; A139-V141 HydrophobicContact CB-CG2 4.34Å; V141-L150 HydrophobicContact CB-CD1 3.93Å; V141-L150 HydrophobicContact CG1-CD1 3.78Å; V141-L150 HydrophobicContact CG1-CD2 3.83Å; V141-L150 HydrophobicContact CG1-CG 4.48Å; V141-L150 HydrophobicContact CG2-CD1 4.07Å; V141-L150 HydrophobicContact CG2-CD2 4.49Å |
| 142 | M | 82 | Confident | 81.8 | Confident | 46 Ų | 46 | 44.6 Ų | 44.6 | 23% | 0.227 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 141.8 | 172.8 | -61.3 | -169.5 | -57.2 | 0 | 0 | 109 | D99 T128 Q129 | D99-M142 WeakPolarHBondContact O-CA 3.38Å; T128-M142 PolarHBondContact N-O 3.17Å; T128-M142 VanDerWaalsContact OG1-C 3.27Å; T128-M142 WeakPolarHBondContact OG1-CB 3.27Å; T128-M142 PolarHBondContact OG1-O 3.33Å; Q129-M142 HydrophobicContact CB-CE 3.59Å; Q129-M142 HydrophobicContact CG-CE 4.22Å; Q129-M142 PolarHBondContact N-O 3.27Å; Q129-M142 PolarHBondContact O-N 2.88Å |
| 143 | G | 82.5 | Confident | 82.3 | Confident | 6 Ų | 6 | 44.5 Ų | 44.5 | 6% | 0.062 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 119.1 | 179.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | D99 G126 A145 | D99-G143 PolarHBondContact O-N 2.78Å; G126-G143 CarbonylContact O-C 3.5Å; G126-G143 WeakPolarHBondContact O-CA 3.36Å; G143-A145 VanDerWaalsContact C-N 3.29Å; G143-A145 PolarHBondContact O-N 2.85Å |
| 144 | S | 83.9 | Confident | 83.2 | Confident | 90 Ų | 90 | 43.3 Ų | 43.3 | 63% | 0.629 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -86.5 | 11.8 | -168.2 | 57.5 | 0 | 0 | 0 | 0 | 114.9 | G126 | G126-S144 PolarHBondContact O-N 2.8Š|
| 145 | A | 85.9 | Confident | 84.1 | Confident | 4 Ų | 4 | 46.4 Ų | 46.4 | 3% | 0.033 | 26% | 0.255 | C | S | . | . | trans | -65.5 | 142.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q101 V124 V127 G143 L150 | Q101-A145 PolarHBondContact NE2-O 2.84Å; Q101-A145 PolarHBondContact OE1-O 3.45Å; V124-A145 HydrophobicContact CG1-CB 4Å; V127-A145 HydrophobicContact CG2-CB 3.62Å; G143-A145 VanDerWaalsContact C-N 3.29Å; G143-A145 PolarHBondContact O-N 2.85Å; A145-L150 HydrophobicContact CB-CD2 3.88Å; A145-L150 HydrophobicContact CB-CG 4.22Å | ||
| 146 | S | 87.1 | Confident | 85.2 | Confident | 44 Ų | 44 | 51.7 Ų | 51.7 | 31% | 0.308 | 27% | 0.267 | S | S | . | . | trans | -72 | 144.6 | 179 | 84.7 | 0 | 0 | 0 | 0 | 111.2 | Q148 D149 L150 | S146-Q148 PolarHBondContact O-N 3.3Å; S146-Q148 VanDerWaalsContact O-N 3.1Å; S146-D149 PolarHBondContact O-N 3.24Å; S146-D149 VanDerWaalsContact O-N 3.08Å; S146-D149 PolarHBondContact OG-N 3.12Å; S146-D149 PolarHBondContact OG-OD2 3.2Å; S146-L150 WeakPolarHBondContact O-CG 3.48Å; S146-L150 PolarHBondContact O-N 2.9Å | ||
| 147 | P | 85.8 | Confident | 86 | Confident | 49 Ų | 49 | 50.5 Ų | 50.5 | 32% | 0.318 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -56.1 | -31.9 | 177.8 | -25 | 31.2 | 0 | 0 | 0 | 113.2 | V151 A163 | P147-V151 VanDerWaalsContact O-CG2 3.28Å; P147-V151 WeakPolarHBondContact O-CG2 3.41Å; P147-V151 PolarHBondContact O-N 3.39Å; P147-A163 HydrophobicContact CB-CB 3.88Å |
| 148 | Q | 89 | Confident | 86.1 | Confident | 148 Ų | 148 | 48.3 Ų | 48.3 | 69% | 0.692 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -69.8 | -40.6 | 179.4 | -65.5 | -177.6 | 3.6 | 0 | 0 | 112.1 | S146 L150 V151 Q152 | S146-Q148 PolarHBondContact O-N 3.3Å; S146-Q148 VanDerWaalsContact O-N 3.1Å; Q148-L150 VanDerWaalsContact C-N 3.32Å; Q148-V151 PolarHBondContact O-N 3.01Å; Q148-Q152 WeakPolarHBondContact O-CG 3.5Å; Q148-Q152 PolarHBondContact O-N 3.34Å |
| 149 | D | 90.7 | Very high | 86.2 | Confident | 76 Ų | 76 | 48.8 Ų | 48.8 | 41% | 0.406 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.9 | -39.3 | 177.5 | -65.5 | -40.9 | 0 | 0 | 0 | 111.1 | V124 S146 Q152 A153 | V124-D149 HydrophobicContact CG1-CB 3.98Å; S146-D149 PolarHBondContact O-N 3.24Å; S146-D149 VanDerWaalsContact O-N 3.08Å; S146-D149 PolarHBondContact OG-N 3.12Å; S146-D149 PolarHBondContact OG-OD2 3.2Å; D149-Q152 PolarHBondContact O-N 3.4Å; D149-A153 WeakPolarHBondContact O-CB 3.5Å; D149-A153 PolarHBondContact O-N 3.26Å |
| 150 | L | 91.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.3 | -47.2 | 175.1 | -59.3 | 176 | 0 | 0 | 0 | 111.6 | Q101 L103 L121 V124 V127 V141 A145 S146 Q148 Q152 A153 V154 | Q101-L150 HydrophobicContact CB-CD1 4.37Å; L103-L150 HydrophobicContact CD1-CB 3.73Å; L103-L150 HydrophobicContact CD1-CD1 4.25Å; L121-L150 HydrophobicContact CD2-CB 3.97Å; L121-L150 HydrophobicContact CD2-CD2 3.95Å; V124-L150 HydrophobicContact CB-CD2 4.13Å; V124-L150 HydrophobicContact CG1-CD2 4.1Å; V124-L150 HydrophobicContact CG2-CD2 4.23Å; V127-L150 HydrophobicContact CG2-CD2 3.5Å; V141-L150 HydrophobicContact CB-CD1 3.93Å; V141-L150 HydrophobicContact CG1-CD1 3.78Å; V141-L150 HydrophobicContact CG1-CD2 3.83Å; V141-L150 HydrophobicContact CG1-CG 4.48Å; V141-L150 HydrophobicContact CG2-CD1 4.07Å; V141-L150 HydrophobicContact CG2-CD2 4.49Å; A145-L150 HydrophobicContact CB-CD2 3.88Å; A145-L150 HydrophobicContact CB-CG 4.22Å; S146-L150 WeakPolarHBondContact O-CG 3.48Å; S146-L150 PolarHBondContact O-N 2.9Å; Q148-L150 VanDerWaalsContact C-N 3.32Å; L150-Q152 VanDerWaalsContact C-N 3.34Å; L150-Q152 PolarHBondContact O-N 3.47Å; L150-A153 WeakPolarHBondContact O-CB 3.25Å; L150-A153 PolarHBondContact O-N 2.86Å; L150-V154 WeakPolarHBondContact O-CG2 3.38Å; L150-V154 PolarHBondContact O-N 3Å; L150-V154 VanDerWaalsContact O-N 3.1Å |
| 151 | V | 91.6 | Very high | 86.3 | Confident | 27 Ų | 27 | 48.1 Ų | 48.1 | 16% | 0.164 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.2 | -46.1 | 176.9 | 169.1 | 0 | 0 | 0 | 0 | 110.8 | L103 P147 Q148 A153 V154 E155 A161 | L103-V151 HydrophobicContact CD2-CG2 4.24Å; P147-V151 VanDerWaalsContact O-CG2 3.28Å; P147-V151 WeakPolarHBondContact O-CG2 3.41Å; P147-V151 PolarHBondContact O-N 3.39Å; Q148-V151 PolarHBondContact O-N 3.01Å; V151-A153 VanDerWaalsContact C-N 3.32Å; V151-A153 PolarHBondContact O-N 3.35Å; V151-V154 PolarHBondContact O-N 3.15Å; V151-E155 HydrophobicContact CG1-CG 4.43Å; V151-E155 WeakPolarHBondContact O-CG 3.26Å; V151-E155 PolarHBondContact O-N 2.72Å; V151-A161 HydrophobicContact CB-CB 4.25Å; V151-A161 HydrophobicContact CG1-CB 4.21Å; V151-A161 WeakPolarHBondContact CG1-O 3.04Å; V151-A161 HydrophobicContact CG2-CB 3.95Å |
| 152 | Q | 90.6 | Very high | 86.3 | Confident | 91 Ų | 91 | 52.2 Ų | 52.2 | 43% | 0.425 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.1 | -37.1 | 177.1 | -74.9 | -176.4 | 25 | 0 | 0 | 112.9 | Q148 D149 L150 V154 E155 K156 | Q148-Q152 WeakPolarHBondContact O-CG 3.5Å; Q148-Q152 PolarHBondContact O-N 3.34Å; D149-Q152 PolarHBondContact O-N 3.4Å; L150-Q152 VanDerWaalsContact C-N 3.34Å; L150-Q152 PolarHBondContact O-N 3.47Å; Q152-V154 VanDerWaalsContact C-N 3.35Å; Q152-E155 PolarHBondContact O-N 2.92Å; Q152-K156 WeakPolarHBondContact O-CB 3.43Å; Q152-K156 VanDerWaalsContact O-CG 3.26Å; Q152-K156 WeakPolarHBondContact O-CG 3.37Å; Q152-K156 PolarHBondContact O-N 3.46Å |
| 153 | A | 90.3 | Very high | 86.4 | Confident | 15 Ų | 15 | 52.3 Ų | 52.3 | 12% | 0.124 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.9 | -41.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V124 D149 L150 V151 K156 A157 | V124-A153 HydrophobicContact CG2-CB 3.38Å; D149-A153 WeakPolarHBondContact O-CB 3.5Å; D149-A153 PolarHBondContact O-N 3.26Å; L150-A153 WeakPolarHBondContact O-CB 3.25Å; L150-A153 PolarHBondContact O-N 2.86Å; V151-A153 VanDerWaalsContact C-N 3.32Å; V151-A153 PolarHBondContact O-N 3.35Å; A153-K156 PolarHBondContact O-N 2.81Å; A153-A157 PolarHBondContact O-N 2.93Å |
| 154 | V | 89.3 | Confident | 85.8 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.8 | -41 | 175.6 | 179.9 | 0 | 0 | 0 | 0 | 111.7 | L105 V117 L121 L150 V151 Q152 A157 G158 Y159 A161 | L105-V154 HydrophobicContact CD2-CG1 3.91Å; L105-V154 HydrophobicContact CD2-CG2 4.11Å; V117-V154 HydrophobicContact CG1-CG1 4.33Å; V117-V154 HydrophobicContact CG1-CG2 4.01Å; V117-V154 HydrophobicContact CG2-CG1 4.46Å; L121-V154 HydrophobicContact CD1-CG2 4.41Å; L121-V154 HydrophobicContact CD2-CG2 3.65Å; L121-V154 HydrophobicContact CG-CG2 4.01Å; L150-V154 WeakPolarHBondContact O-CG2 3.38Å; L150-V154 PolarHBondContact O-N 3Å; L150-V154 VanDerWaalsContact O-N 3.1Å; V151-V154 PolarHBondContact O-N 3.15Å; Q152-V154 VanDerWaalsContact C-N 3.35Å; V154-A157 CarbonylContact O-C 3.07Å; V154-A157 WeakPolarHBondContact O-CB 3.31Å; V154-A157 PolarHBondContact O-N 2.77Å; V154-G158 PolarHBondContact O-N 3.23Å; V154-G158 VanDerWaalsContact O-N 3.16Å; V154-Y159 CarbonylContact C-O 3.6Å; V154-Y159 PolarHBondContact O-N 2.84Å; V154-Y159 VanDerWaalsContact O-N 3.11Å; V154-A161 HydrophobicContact CB-CB 3.75Å; V154-A161 HydrophobicContact CG1-CB 3.84Å; V154-A161 HydrophobicContact CG2-CB 4.06Å |
| 155 | E | 88.6 | Confident | 84.9 | Confident | 114 Ų | 114 | 57.2 Ų | 57.2 | 53% | 0.533 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.9 | -41.9 | 175.5 | -73 | -174.2 | 160.8 | 0 | 0 | 112.6 | V151 Q152 A157 G158 Y159 | V151-E155 HydrophobicContact CG1-CG 4.43Å; V151-E155 WeakPolarHBondContact O-CG 3.26Å; V151-E155 PolarHBondContact O-N 2.72Å; Q152-E155 PolarHBondContact O-N 2.92Å; E155-A157 VanDerWaalsContact C-N 3.27Å; E155-A157 PolarHBondContact O-N 2.93Å; E155-G158 WeakPolarHBondContact O-CA 3.41Å; E155-G158 PolarHBondContact O-N 2.87Å; E155-Y159 WeakPolarHBondContact CA-O 3.34Å; E155-Y159 PolarHBondContact N-O 2.89Å |
| 156 | K | 84.7 | Confident | 83.9 | Confident | 174 Ų | 174 | 61.4 Ų | 61.4 | 76% | 0.757 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -62.2 | -34.4 | 172.5 | -75.9 | 172.6 | -176.7 | 169.8 | 0 | 112.1 | Q152 A153 G158 | Q152-K156 WeakPolarHBondContact O-CB 3.43Å; Q152-K156 VanDerWaalsContact O-CG 3.26Å; Q152-K156 WeakPolarHBondContact O-CG 3.37Å; Q152-K156 PolarHBondContact O-N 3.46Å; A153-K156 PolarHBondContact O-N 2.81Å; K156-G158 PolarHBondContact O-N 2.88Å |
| 157 | A | 82.1 | Confident | 82.8 | Confident | 35 Ų | 35 | 62.5 Ų | 62.5 | 29% | 0.289 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -8.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | A120 A153 V154 E155 Y159 | A120-A157 HydrophobicContact CB-CB 3.82Å; A153-A157 PolarHBondContact O-N 2.93Å; V154-A157 CarbonylContact O-C 3.07Å; V154-A157 WeakPolarHBondContact O-CB 3.31Å; V154-A157 PolarHBondContact O-N 2.77Å; E155-A157 VanDerWaalsContact C-N 3.27Å; E155-A157 PolarHBondContact O-N 2.93Å; A157-Y159 HydrophobicContact CB-CD2 4.01Å; A157-Y159 HydrophobicContact CB-CE2 4.29Å; A157-Y159 WeakPolarHBondContact O-CD2 3.41Å; A157-Y159 VanDerWaalsContact O-CE2 3.29Å; A157-Y159 WeakPolarHBondContact O-CE2 3.36Å |
| 158 | G | 78.1 | Confident | 81.9 | Confident | 30 Ų | 30 | 63.1 Ų | 63.1 | 31% | 0.309 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.8 | 21 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | V154 E155 K156 K243 | V154-G158 PolarHBondContact O-N 3.23Å; V154-G158 VanDerWaalsContact O-N 3.16Å; E155-G158 WeakPolarHBondContact O-CA 3.41Å; E155-G158 PolarHBondContact O-N 2.87Å; K156-G158 PolarHBondContact O-N 2.88Å; G158-K243 PolarHBondContact O-NZ 2.81Å |
| 159 | Y | 82.6 | Confident | 81 | Confident | 23 Ų | 23 | 62.4 Ų | 62.4 | 9% | 0.09 | 34% | 0.339 | C | S | . | . | trans | -123.7 | 160.9 | -179.4 | -54.7 | -78.7 | 0 | 0 | 0 | 110.3 | S106 M108 C113 R116 V117 V154 E155 A157 | S106-Y159 WeakPolarHBondContact O-CB 3.43Å; M108-Y159 HydrophobicContact CB-CD1 4.47Å; M108-Y159 HydrophobicContact CG-CD1 3.68Å; M108-Y159 HydrophobicContact CG-CE1 3.98Å; M108-Y159 HydrophobicContact CG-CG 4.15Å; C113-Y159 WeakPolarHBondContact CA-OH 3.47Å; C113-Y159 HydrophobicContact CB-CE1 3.81Å; C113-Y159 WeakPolarHBondContact CB-OH 3.33Å; C113-Y159 PolarHBondContact SG-OH 3.5Å; R116-Y159 HydrophobicContact CB-CE2 4.36Å; R116-Y159 PolarHBondContact NE-OH 2.69Å; V117-Y159 HydrophobicContact CG2-CD2 3.29Å; V117-Y159 HydrophobicContact CG2-CE2 3.67Å; V117-Y159 HydrophobicContact CG2-CG 3.82Å; V154-Y159 CarbonylContact C-O 3.6Å; V154-Y159 PolarHBondContact O-N 2.84Å; V154-Y159 VanDerWaalsContact O-N 3.11Å; E155-Y159 WeakPolarHBondContact CA-O 3.34Å; E155-Y159 PolarHBondContact N-O 2.89Å; A157-Y159 HydrophobicContact CB-CD2 4.01Å; A157-Y159 HydrophobicContact CB-CE2 4.29Å; A157-Y159 WeakPolarHBondContact O-CD2 3.41Å; A157-Y159 VanDerWaalsContact O-CE2 3.29Å; A157-Y159 WeakPolarHBondContact O-CE2 3.36Å | ||
| 160 | G | 83.1 | Confident | 79.9 | Confident | 20 Ų | 20 | 59.8 Ų | 59.8 | 21% | 0.206 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 148.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L105 S106 | L105-G160 CarbonylContact C-O 3.59Å; L105-G160 VanDerWaalsContact CA-O 3.32Å; L105-G160 WeakPolarHBondContact CA-O 3.12Å; S106-G160 PolarHBondContact N-O 3.44Å; S106-G160 PolarHBondContact O-N 3.22Å; S106-G160 VanDerWaalsContact OG-CA 3.31Å; S106-G160 WeakPolarHBondContact OG-CA 3.02Å; S106-G160 PolarHBondContact OG-O 3.43Å |
| 161 | A | 87.3 | Confident | 78.8 | Confident | 16 Ų | 16 | 62.5 Ų | 62.5 | 13% | 0.132 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 145.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | L104 L105 V151 V154 | L104-A161 CarbonylContact O-C 3.55Å; L104-A161 VanDerWaalsContact O-CA 3.23Å; L104-A161 WeakPolarHBondContact O-CA 3.41Å; L105-A161 HydrophobicContact CD2-CB 4.03Å; V151-A161 HydrophobicContact CB-CB 4.25Å; V151-A161 HydrophobicContact CG1-CB 4.21Å; V151-A161 WeakPolarHBondContact CG1-O 3.04Å; V151-A161 HydrophobicContact CG2-CB 3.95Å; V154-A161 HydrophobicContact CB-CB 3.75Å; V154-A161 HydrophobicContact CG1-CB 3.84Å; V154-A161 HydrophobicContact CG2-CB 4.06Å |
| 162 | E | 86.1 | Confident | 78.1 | Confident | 88 Ų | 88 | 66.9 Ų | 66.9 | 41% | 0.411 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 126.7 | 175.2 | -174.1 | 178.3 | -177.6 | 0 | 0 | 108.9 | L103 L104 I164 | L103-E162 CarbonylContact C-O 3.56Å; L103-E162 WeakPolarHBondContact CA-O 3.43Å; L104-E162 PolarHBondContact N-O 2.75Å; L104-E162 PolarHBondContact O-N 3.36Å; E162-I164 HydrophobicContact CG-CD1 4.31Å; E162-I164 HydrophobicContact CG-CG1 3.99Å |
| 163 | A | 82.9 | Confident | 77.4 | Confident | 48 Ų | 48 | 67.7 Ų | 67.7 | 40% | 0.397 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 124.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | L103 P147 | L103-A163 HydrophobicContact CD2-CB 3.83Å; P147-A163 HydrophobicContact CB-CB 3.88Å |
| 164 | I | 69.8 | Low | 76.5 | Confident | 14 Ų | 14 | 68.5 Ų | 68.5 | 7% | 0.072 | 35% | 0.353 | C | S | . | . | trans | -132.8 | 109.9 | 179.5 | -53.6 | 177.5 | 0 | 0 | 0 | 108.8 | L104 E162 D166 K169 R170 R173 | L104-I164 HydrophobicContact CB-CD1 4.33Å; L104-I164 HydrophobicContact CD2-CD1 4.11Å; E162-I164 HydrophobicContact CG-CD1 4.31Å; E162-I164 HydrophobicContact CG-CG1 3.99Å; I164-D166 WeakPolarHBondContact CG2-O 3.24Å; I164-K169 HydrophobicContact CG2-CB 4.36Å; I164-R170 HydrophobicContact CB-CB 4.14Å; I164-R170 HydrophobicContact CB-CG 4.19Å; I164-R170 HydrophobicContact CD1-CB 4.49Å; I164-R170 HydrophobicContact CD1-CG 4.22Å; I164-R170 HydrophobicContact CG2-CB 3.78Å; I164-R170 HydrophobicContact CG2-CG 4.36Å; I164-R170 PolarHBondContact O-NE 3Å; I164-R170 PolarHBondContact O-NH2 3.08Å; I164-R173 HydrophobicContact CD1-CB 4.17Å; I164-R173 HydrophobicContact CD1-CG 4.18Å | ||
| 165 | E | 65.2 | Low | 75.8 | Confident | 186 Ų | 186 | 72.1 Ų | 72.1 | 87% | 0.869 | 37% | 0.37 | S | S | * | . | trans | -75.2 | -43.1 | 178.8 | -68.1 | 173 | -173.8 | 0 | 0 | 112.2 | D167 | E165-D167 PolarHBondContact O-N 2.67Š| ||
| 166 | D | 65.5 | Low | 75.5 | Confident | 91 Ų | 91 | 71 Ų | 71 | 49% | 0.487 | 37% | 0.365 | S | S | . | . | trans | -72.8 | 114.5 | -180 | -179.8 | -1.2 | 0 | 0 | 0 | 111.7 | I164 A168 K169 R170 | I164-D166 WeakPolarHBondContact CG2-O 3.24Å; D166-A168 VanDerWaalsContact C-N 3.31Å; D166-A168 PolarHBondContact O-N 3.45Å; D166-A168 WeakPolarHBondContact OD1-CB 3.13Å; D166-A168 PolarHBondContact OD1-N 3.24Å; D166-K169 HydrophobicContact CB-CB 3.92Å; D166-K169 PolarHBondContact O-N 2.82Å; D166-R170 WeakPolarHBondContact O-CB 3.44Å; D166-R170 PolarHBondContact O-N 2.82Å | ||
| 167 | D | 63.5 | Low | 75.2 | Confident | 67 Ų | 67 | 65 Ų | 65 | 36% | 0.358 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.6 | -36.2 | -178.6 | -129.6 | 35 | 0 | 0 | 0 | 112.8 | E165 R170 R171 | E165-D167 PolarHBondContact O-N 2.67Å; D167-R170 IonicContact OD1-CZ 2.67Å; D167-R170 IonicContact OD1-NH1 3.91Å; D167-R170 IonicContact OD1-NH2 2.68Å; D167-R171 VanDerWaalsContact O-CD 3.22Å; D167-R171 WeakPolarHBondContact O-CD 3.42Å; D167-R171 WeakPolarHBondContact O-CG 3.46Å; D167-R171 PolarHBondContact O-N 2.77Å; D167-R171 PolarHBondContact O-NE 3.49Å; D167-R171 IonicContact OD2-CZ 3.2Å; D167-R171 IonicContact OD2-NE 4Å; D167-R171 IonicContact OD2-NH2 3.41Å; D167-R171 PolarHBondContact OD2-NH2 3.31Å |
| 168 | A | 66.6 | Low | 74.9 | Confident | 62 Ų | 62 | 64.8 Ų | 64.8 | 51% | 0.512 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -71.1 | -47.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | D166 R170 R171 E172 | D166-A168 VanDerWaalsContact C-N 3.31Å; D166-A168 PolarHBondContact O-N 3.45Å; D166-A168 WeakPolarHBondContact OD1-CB 3.13Å; D166-A168 PolarHBondContact OD1-N 3.24Å; A168-R170 VanDerWaalsContact C-N 3.31Å; A168-R170 PolarHBondContact O-N 2.9Å; A168-R171 PolarHBondContact O-N 2.87Å; A168-E172 PolarHBondContact O-N 3.23Å |
| 169 | K | 69.7 | Low | 75.2 | Confident | 134 Ų | 134 | 65.7 Ų | 65.7 | 58% | 0.583 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -62.2 | -38.3 | 176.9 | -169 | 174.8 | -177.6 | 179.9 | 0 | 112 | I164 D166 E172 R173 | I164-K169 HydrophobicContact CG2-CB 4.36Å; D166-K169 HydrophobicContact CB-CB 3.92Å; D166-K169 PolarHBondContact O-N 2.82Å; K169-E172 PolarHBondContact O-N 2.89Å; K169-R173 WeakPolarHBondContact O-CB 3.39Å; K169-R173 PolarHBondContact O-N 2.74Å |
| 170 | R | 69.6 | Low | 75.4 | Confident | 20 Ų | 20 | 66.9 Ų | 66.9 | 8% | 0.075 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 176.1 | -165.3 | -169.2 | -55.2 | 150.8 | 3.9 | 111.5 | Q102 I164 D166 D167 A168 R173 Q174 | Q102-R170 VanDerWaalsContact CB-CZ 3.49Å; Q102-R170 VanDerWaalsContact CD-NH1 3.27Å; I164-R170 HydrophobicContact CB-CB 4.14Å; I164-R170 HydrophobicContact CB-CG 4.19Å; I164-R170 HydrophobicContact CD1-CB 4.49Å; I164-R170 HydrophobicContact CD1-CG 4.22Å; I164-R170 HydrophobicContact CG2-CB 3.78Å; I164-R170 HydrophobicContact CG2-CG 4.36Å; I164-R170 PolarHBondContact O-NE 3Å; I164-R170 PolarHBondContact O-NH2 3.08Å; D166-R170 WeakPolarHBondContact O-CB 3.44Å; D166-R170 PolarHBondContact O-N 2.82Å; D167-R170 IonicContact OD1-CZ 2.67Å; D167-R170 IonicContact OD1-NH1 3.91Å; D167-R170 IonicContact OD1-NH2 2.68Å; A168-R170 VanDerWaalsContact C-N 3.31Å; A168-R170 PolarHBondContact O-N 2.9Å; R170-R173 PolarHBondContact O-N 3.1Å; R170-Q174 WeakPolarHBondContact O-CB 3.45Å; R170-Q174 VanDerWaalsContact O-CG 3.31Å; R170-Q174 WeakPolarHBondContact O-CG 3.46Å; R170-Q174 PolarHBondContact O-N 3.3Å |
| 171 | R | 68.2 | Low | 75.4 | Confident | 57 Ų | 57 | 66.7 Ų | 66.7 | 22% | 0.215 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.9 | -46.6 | 178.5 | -69.8 | 161.7 | -165.3 | -172.6 | 1.9 | 111.3 | D167 A168 R173 Q174 Q175 L318 | D167-R171 VanDerWaalsContact O-CD 3.22Å; D167-R171 WeakPolarHBondContact O-CD 3.42Å; D167-R171 WeakPolarHBondContact O-CG 3.46Å; D167-R171 PolarHBondContact O-N 2.77Å; D167-R171 PolarHBondContact O-NE 3.49Å; D167-R171 IonicContact OD2-CZ 3.2Å; D167-R171 IonicContact OD2-NE 4Å; D167-R171 IonicContact OD2-NH2 3.41Å; D167-R171 PolarHBondContact OD2-NH2 3.31Å; A168-R171 PolarHBondContact O-N 2.87Å; R171-R173 VanDerWaalsContact C-N 3.28Å; R171-R173 PolarHBondContact O-N 2.74Å; R171-Q174 WeakPolarHBondContact O-CB 3.42Å; R171-Q174 PolarHBondContact O-N 3.5Å; R171-Q175 WeakPolarHBondContact O-CG 3.26Å; R171-Q175 PolarHBondContact O-N 2.72Å; R171-L318 VanDerWaalsContact NH1-CD2 3.29Å |
| 172 | E | 75.4 | Confident | 75.2 | Confident | 120 Ų | 120 | 67.6 Ų | 67.6 | 56% | 0.561 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -57.1 | -45.9 | 175.3 | -171.9 | 175.3 | -159.9 | 0 | 0 | 110.5 | A168 K169 Q174 Q175 E176 | A168-E172 PolarHBondContact O-N 3.23Å; K169-E172 PolarHBondContact O-N 2.89Å; E172-Q174 PolarHBondContact O-N 2.89Å; E172-Q175 WeakPolarHBondContact O-CB 3.38Å; E172-Q175 PolarHBondContact O-N 2.71Å; E172-E176 WeakPolarHBondContact O-CG 3.32Å; E172-E176 PolarHBondContact O-N 2.6Å |
| 173 | R | 75.8 | Confident | 75.4 | Confident | 108 Ų | 108 | 69.3 Ų | 69.3 | 41% | 0.408 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.1 | -38.3 | 177.8 | -160.1 | 60.3 | 167.6 | 170.4 | -4.9 | 113.4 | L104 I164 K169 R170 R171 E176 T177 | L104-R173 HydrophobicContact CD2-CB 4.26Å; L104-R173 HydrophobicContact CD2-CG 3.81Å; I164-R173 HydrophobicContact CD1-CB 4.17Å; I164-R173 HydrophobicContact CD1-CG 4.18Å; K169-R173 WeakPolarHBondContact O-CB 3.39Å; K169-R173 PolarHBondContact O-N 2.74Å; R170-R173 PolarHBondContact O-N 3.1Å; R171-R173 VanDerWaalsContact C-N 3.28Å; R171-R173 PolarHBondContact O-N 2.74Å; R173-E176 WeakPolarHBondContact CD-OE2 3.37Å; R173-E176 IonicContact CZ-OE2 3.09Å; R173-E176 IonicContact NH1-OE2 2.65Å; R173-E176 PolarHBondContact NH1-OE2 3.29Å; R173-E176 PolarHBondContact O-N 3.23Å; R173-T177 WeakPolarHBondContact O-CB 3.31Å; R173-T177 VanDerWaalsContact O-CG2 3.24Å; R173-T177 WeakPolarHBondContact O-CG2 3.47Å; R173-T177 PolarHBondContact O-N 3.02Å; R173-T177 PolarHBondContact O-OG1 2.95Å |
| 174 | Q | 71.4 | Confident | 75.7 | Confident | 31 Ų | 31 | 74.3 Ų | 74.3 | 15% | 0.145 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.6 | -43.6 | 173 | -79.2 | 175.1 | -30.1 | 0 | 0 | 111.3 | L104 E136 R170 R171 E172 T177 A178 | L104-Q174 HydrophobicContact CD1-CG 3.44Å; L104-Q174 VanDerWaalsContact CD1-CG 3.44Å; E136-Q174 PolarHBondContact O-NE2 2.82Å; R170-Q174 WeakPolarHBondContact O-CB 3.45Å; R170-Q174 VanDerWaalsContact O-CG 3.31Å; R170-Q174 WeakPolarHBondContact O-CG 3.46Å; R170-Q174 PolarHBondContact O-N 3.3Å; R171-Q174 WeakPolarHBondContact O-CB 3.42Å; R171-Q174 PolarHBondContact O-N 3.5Å; E172-Q174 PolarHBondContact O-N 2.89Å; Q174-T177 WeakPolarHBondContact CA-OG1 3.23Å; Q174-T177 PolarHBondContact O-OG1 3.5Å; Q174-A178 VanDerWaalsContact O-CB 3.26Å; Q174-A178 WeakPolarHBondContact O-CB 3.33Å; Q174-A178 PolarHBondContact O-N 3.44Å |
| 175 | Q | 75.1 | Confident | 76.5 | Confident | 76 Ų | 76 | 75.3 Ų | 75.3 | 36% | 0.355 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -65.4 | -45.8 | 175.7 | -69.8 | 179.4 | 19.5 | 0 | 0 | 111.9 | R171 E172 T177 A178 V179 E315 | R171-Q175 WeakPolarHBondContact O-CG 3.26Å; R171-Q175 PolarHBondContact O-N 2.72Å; E172-Q175 WeakPolarHBondContact O-CB 3.38Å; E172-Q175 PolarHBondContact O-N 2.71Å; Q175-T177 VanDerWaalsContact C-N 3.34Å; Q175-T177 PolarHBondContact O-N 2.95Å; Q175-A178 PolarHBondContact O-N 3.03Å; Q175-V179 WeakPolarHBondContact O-CB 3.1Å; Q175-V179 VanDerWaalsContact O-CG2 3.28Å; Q175-V179 WeakPolarHBondContact O-CG2 3.44Å; Q175-V179 PolarHBondContact O-N 3.29Å; Q175-E315 VanDerWaalsContact CG-OE1 3.29Å; Q175-E315 WeakPolarHBondContact CG-OE1 3.49Å; Q175-E315 PolarHBondContact NE2-OE1 3.09Å; Q175-E315 PolarHBondContact NE2-OE2 3.39Å |
| 176 | E | 82.9 | Confident | 77.8 | Confident | 91 Ų | 91 | 72.8 Ų | 72.8 | 43% | 0.425 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.2 | -47.2 | 177.5 | -75.5 | -171 | 149 | 0 | 0 | 111.3 | E172 R173 V179 A180 | E172-E176 WeakPolarHBondContact O-CG 3.32Å; E172-E176 PolarHBondContact O-N 2.6Å; R173-E176 WeakPolarHBondContact CD-OE2 3.37Å; R173-E176 IonicContact CZ-OE2 3.09Å; R173-E176 IonicContact NH1-OE2 2.65Å; R173-E176 PolarHBondContact NH1-OE2 3.29Å; R173-E176 PolarHBondContact O-N 3.23Å; E176-V179 PolarHBondContact O-N 3.15Å; E176-A180 WeakPolarHBondContact O-CB 3.38Å; E176-A180 PolarHBondContact O-N 3.22Å |
| 177 | T | 78.9 | Confident | 79.1 | Confident | 47 Ų | 47 | 75.4 Ų | 75.4 | 29% | 0.288 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67.1 | -37.5 | 179.1 | 55.6 | 0 | 0 | 0 | 0 | 112 | R173 Q174 Q175 T181 | R173-T177 WeakPolarHBondContact O-CB 3.31Å; R173-T177 VanDerWaalsContact O-CG2 3.24Å; R173-T177 WeakPolarHBondContact O-CG2 3.47Å; R173-T177 PolarHBondContact O-N 3.02Å; R173-T177 PolarHBondContact O-OG1 2.95Å; Q174-T177 WeakPolarHBondContact CA-OG1 3.23Å; Q174-T177 PolarHBondContact O-OG1 3.5Å; Q175-T177 VanDerWaalsContact C-N 3.34Å; Q175-T177 PolarHBondContact O-N 2.95Å; T177-T181 VanDerWaalsContact O-CB 3.3Å; T177-T181 WeakPolarHBondContact O-CB 3.49Å; T177-T181 PolarHBondContact O-N 2.81Å; T177-T181 PolarHBondContact O-OG1 2.91Å |
| 178 | A | 75.8 | Confident | 80.4 | Confident | 32 Ų | 32 | 73 Ų | 73 | 26% | 0.264 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.6 | -48.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q174 Q175 T181 M182 | Q174-A178 VanDerWaalsContact O-CB 3.26Å; Q174-A178 WeakPolarHBondContact O-CB 3.33Å; Q174-A178 PolarHBondContact O-N 3.44Å; Q175-A178 PolarHBondContact O-N 3.03Å; A178-T181 PolarHBondContact O-N 2.96Å; A178-M182 PolarHBondContact O-N 3.17Å |
| 179 | V | 84.4 | Confident | 81.5 | Confident | 48 Ų | 48 | 70.2 Ų | 70.2 | 29% | 0.291 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 177.2 | 172.4 | 0 | 0 | 0 | 0 | 111 | Q175 E176 M182 K183 | Q175-V179 WeakPolarHBondContact O-CB 3.1Å; Q175-V179 VanDerWaalsContact O-CG2 3.28Å; Q175-V179 WeakPolarHBondContact O-CG2 3.44Å; Q175-V179 PolarHBondContact O-N 3.29Å; E176-V179 PolarHBondContact O-N 3.15Å; V179-M182 PolarHBondContact O-N 2.76Å; V179-K183 HydrophobicContact CG1-CD 4.1Å; V179-K183 HydrophobicContact CG1-CG 4.38Å; V179-K183 WeakPolarHBondContact O-CB 3.25Å; V179-K183 WeakPolarHBondContact O-CG 3.33Å; V179-K183 PolarHBondContact O-N 2.81Å |
| 180 | A | 87 | Confident | 82.7 | Confident | 48 Ų | 48 | 68.5 Ų | 68.5 | 40% | 0.397 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.7 | -41 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E176 K183 R184 | E176-A180 WeakPolarHBondContact O-CB 3.38Å; E176-A180 PolarHBondContact O-N 3.22Å; A180-K183 PolarHBondContact O-N 3.46Å; A180-R184 VanDerWaalsContact O-CB 3.31Å; A180-R184 WeakPolarHBondContact O-CB 3.29Å; A180-R184 PolarHBondContact O-N 2.96Å |
| 181 | T | 81.9 | Confident | 83.8 | Confident | 17 Ų | 17 | 69.3 Ų | 69.3 | 10% | 0.104 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61 | -46.2 | 174.9 | -57.5 | 0 | 0 | 0 | 0 | 110.7 | R137 T177 A178 R184 F185 | R137-T181 PolarHBondContact NH1-OG1 3.37Å; R137-T181 VanDerWaalsContact NH1-OG1 3.15Å; T177-T181 VanDerWaalsContact O-CB 3.3Å; T177-T181 WeakPolarHBondContact O-CB 3.49Å; T177-T181 PolarHBondContact O-N 2.81Å; T177-T181 PolarHBondContact O-OG1 2.91Å; A178-T181 PolarHBondContact O-N 2.96Å; T181-R184 WeakPolarHBondContact O-CB 3.32Å; T181-R184 PolarHBondContact O-N 3.38Å; T181-F185 HydrophobicContact CG2-CD2 3.78Å; T181-F185 HydrophobicContact CG2-CE2 3.41Å; T181-F185 VanDerWaalsContact CG2-CE2 3.41Å; T181-F185 HydrophobicContact CG2-CZ 4.19Å; T181-F185 WeakPolarHBondContact O-CD2 2.91Å; T181-F185 PolarHBondContact O-N 3.22Å |
| 182 | M | 83.5 | Confident | 84.9 | Confident | 34 Ų | 34 | 66.6 Ų | 66.6 | 17% | 0.167 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.9 | -44.2 | 178 | -172.4 | -169.9 | -47.1 | 0 | 0 | 112.3 | A178 V179 R184 F185 R186 M301 A304 R305 Q308 | A178-M182 PolarHBondContact O-N 3.17Å; V179-M182 PolarHBondContact O-N 2.76Å; M182-R184 VanDerWaalsContact C-N 3.27Å; M182-R184 PolarHBondContact O-N 2.8Å; M182-F185 PolarHBondContact O-N 3.05Å; M182-R186 WeakPolarHBondContact O-CB 3.48Å; M182-R186 PolarHBondContact O-N 3.43Å; M182-M301 HydrophobicContact CG-CG 3.88Å; M182-A304 HydrophobicContact CB-CB 4.46Å; M182-R305 VanDerWaalsContact CE-CA 3.43Å; M182-R305 HydrophobicContact CE-CB 3.82Å; M182-R305 HydrophobicContact CE-CG 4.23Å; M182-R305 HydrophobicContact SD-CB 3.91Å; M182-R305 HydrophobicContact SD-CG 4.17Å; M182-Q308 HydrophobicContact CE-CB 4.15Å |
| 183 | K | 89.9 | Confident | 85.7 | Confident | 124 Ų | 124 | 62.2 Ų | 62.2 | 54% | 0.539 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.1 | -40.8 | 175.2 | -76.8 | 178.8 | -179.4 | 176.9 | 0 | 111 | V179 A180 W187 | V179-K183 HydrophobicContact CG1-CD 4.1Å; V179-K183 HydrophobicContact CG1-CG 4.38Å; V179-K183 WeakPolarHBondContact O-CB 3.25Å; V179-K183 WeakPolarHBondContact O-CG 3.33Å; V179-K183 PolarHBondContact O-N 2.81Å; A180-K183 PolarHBondContact O-N 3.46Å; K183-W187 WeakPolarHBondContact O-CB 3.47Å; K183-W187 PolarHBondContact O-N 3.03Å |
| 184 | R | 88.8 | Confident | 86.5 | Confident | 153 Ų | 153 | 60 Ų | 60 | 58% | 0.577 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -61.9 | -56.3 | 176.3 | -173.5 | -173.8 | -59.3 | 172.8 | 1.4 | 111.2 | A180 T181 M182 R186 W187 Q188 | A180-R184 VanDerWaalsContact O-CB 3.31Å; A180-R184 WeakPolarHBondContact O-CB 3.29Å; A180-R184 PolarHBondContact O-N 2.96Å; T181-R184 WeakPolarHBondContact O-CB 3.32Å; T181-R184 PolarHBondContact O-N 3.38Å; M182-R184 VanDerWaalsContact C-N 3.27Å; M182-R184 PolarHBondContact O-N 2.8Å; R184-R186 VanDerWaalsContact C-N 3.28Å; R184-R186 PolarHBondContact O-N 2.98Å; R184-W187 PolarHBondContact O-N 3.5Å; R184-W187 VanDerWaalsContact O-N 3.14Å; R184-Q188 HydrophobicContact CG-CG 4.36Å; R184-Q188 WeakPolarHBondContact O-CB 3.09Å; R184-Q188 VanDerWaalsContact O-CG 3.23Å; R184-Q188 WeakPolarHBondContact O-CG 3.49Å; R184-Q188 PolarHBondContact O-N 2.94Å |
| 185 | F | 87.1 | Confident | 87.5 | Confident | 35 Ų | 35 | 60 Ų | 60 | 15% | 0.154 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.1 | -37.8 | 179 | -70.4 | -43.4 | 0 | 0 | 0 | 112.4 | T181 M182 Q188 A189 H300 M301 | T181-F185 HydrophobicContact CG2-CD2 3.78Å; T181-F185 HydrophobicContact CG2-CE2 3.41Å; T181-F185 VanDerWaalsContact CG2-CE2 3.41Å; T181-F185 HydrophobicContact CG2-CZ 4.19Å; T181-F185 WeakPolarHBondContact O-CD2 2.91Å; T181-F185 PolarHBondContact O-N 3.22Å; M182-F185 PolarHBondContact O-N 3.05Å; F185-Q188 PolarHBondContact O-N 2.87Å; F185-A189 VanDerWaalsContact O-CB 3.24Å; F185-A189 WeakPolarHBondContact O-CB 3.44Å; F185-A189 PolarHBondContact O-N 3.33Å; F185-H300 HydrophobicContact CD1-CB 4.25Å; F185-H300 HydrophobicContact CD2-CB 3.86Å; F185-H300 HydrophobicContact CE1-CB 4.38Å; F185-H300 HydrophobicContact CE2-CB 3.98Å; F185-H300 HydrophobicContact CG-CB 4.02Å; F185-H300 HydrophobicContact CZ-CB 4.25Å; F185-M301 HydrophobicContact CB-CB 3.92Å |
| 186 | R | 91.9 | Very high | 88.1 | Confident | 134 Ų | 134 | 56.4 Ų | 56.4 | 51% | 0.506 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.6 | -49.7 | 173.4 | -175.2 | 177.9 | 69.1 | 169 | 3.9 | 111.5 | M182 R184 A189 I190 M301 | M182-R186 WeakPolarHBondContact O-CB 3.48Å; M182-R186 PolarHBondContact O-N 3.43Å; R184-R186 VanDerWaalsContact C-N 3.28Å; R184-R186 PolarHBondContact O-N 2.98Å; R186-A189 PolarHBondContact O-N 3.12Å; R186-I190 HydrophobicContact CG-CD1 3.9Å; R186-I190 VanDerWaalsContact O-CG1 3.22Å; R186-I190 WeakPolarHBondContact O-CG1 3.44Å; R186-I190 PolarHBondContact O-N 3.45Å; R186-M301 HydrophobicContact CB-CG 3.96Å; R186-M301 HydrophobicContact CB-SD 3.68Å; R186-M301 HydrophobicContact CG-SD 3.77Å |
| 187 | W | 92.8 | Very high | 88.4 | Confident | 146 Ų | 146 | 55.8 Ų | 55.8 | 55% | 0.553 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -65.8 | -42.6 | 180 | -174.9 | 82.8 | 0 | 0 | 0 | 111.5 | K183 R184 A189 I190 V191 | K183-W187 WeakPolarHBondContact O-CB 3.47Å; K183-W187 PolarHBondContact O-N 3.03Å; R184-W187 PolarHBondContact O-N 3.5Å; R184-W187 VanDerWaalsContact O-N 3.14Å; W187-A189 VanDerWaalsContact C-N 3.34Å; W187-A189 PolarHBondContact O-N 3.26Å; W187-I190 PolarHBondContact O-N 2.97Å; W187-V191 HydrophobicContact CD2-CG2 3.76Å; W187-V191 HydrophobicContact CE3-CG2 4.01Å; W187-V191 HydrophobicContact CG-CG2 4.42Å; W187-V191 HydrophobicContact CH2-CG2 3.85Å; W187-V191 HydrophobicContact CZ2-CG2 3.58Å; W187-V191 HydrophobicContact CZ3-CG2 4.05Å; W187-V191 WeakPolarHBondContact O-CB 2.72Å; W187-V191 VanDerWaalsContact O-CG2 3.31Å; W187-V191 WeakPolarHBondContact O-CG2 3.18Å; W187-V191 PolarHBondContact O-N 3.2Å |
| 188 | Q | 92.3 | Very high | 88.8 | Confident | 17 Ų | 17 | 57.1 Ų | 57.1 | 8% | 0.079 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.2 | -40.5 | 176 | -67.9 | 177.2 | -40.4 | 0 | 0 | 112.1 | R184 F185 A192 F232 A233 N297 | R184-Q188 HydrophobicContact CG-CG 4.36Å; R184-Q188 WeakPolarHBondContact O-CB 3.09Å; R184-Q188 VanDerWaalsContact O-CG 3.23Å; R184-Q188 WeakPolarHBondContact O-CG 3.49Å; R184-Q188 PolarHBondContact O-N 2.94Å; F185-Q188 PolarHBondContact O-N 2.87Å; Q188-A192 VanDerWaalsContact O-CB 3.26Å; Q188-A192 WeakPolarHBondContact O-CB 3.24Å; Q188-A192 PolarHBondContact O-N 3.16Å; Q188-F232 PolarHBondContact NE2-O 3.39Å; Q188-A233 HydrophobicContact CB-CB 3.92Å; Q188-A233 HydrophobicContact CG-CB 4.32Å; Q188-A233 WeakPolarHBondContact O-CB 3.25Å; Q188-N297 HydrophobicContact CB-CB 4.46Å |
| 189 | A | 89.9 | Confident | 89.3 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 3% | 0.025 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.9 | -47.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | F185 R186 W187 V191 A192 L193 G294 N297 L298 | F185-A189 VanDerWaalsContact O-CB 3.24Å; F185-A189 WeakPolarHBondContact O-CB 3.44Å; F185-A189 PolarHBondContact O-N 3.33Å; R186-A189 PolarHBondContact O-N 3.12Å; W187-A189 VanDerWaalsContact C-N 3.34Å; W187-A189 PolarHBondContact O-N 3.26Å; A189-V191 PolarHBondContact O-N 3.34Å; A189-A192 PolarHBondContact O-N 3.36Å; A189-L193 VanDerWaalsContact O-CB 3.24Å; A189-L193 WeakPolarHBondContact O-CB 3.3Å; A189-L193 WeakPolarHBondContact O-CG 3.42Å; A189-L193 PolarHBondContact O-N 3.36Å; A189-G294 WeakPolarHBondContact CB-O 3.27Å; A189-N297 HydrophobicContact CB-CB 3.99Å; A189-L298 HydrophobicContact CB-CB 4.12Å |
| 190 | I | 93.4 | Very high | 89.2 | Confident | 97 Ų | 97 | 56.4 Ų | 56.4 | 50% | 0.497 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.6 | -49.3 | 178 | -70 | 164.8 | 0 | 0 | 0 | 110.8 | R186 W187 A192 L193 A194 | R186-I190 HydrophobicContact CG-CD1 3.9Å; R186-I190 VanDerWaalsContact O-CG1 3.22Å; R186-I190 WeakPolarHBondContact O-CG1 3.44Å; R186-I190 PolarHBondContact O-N 3.45Å; W187-I190 PolarHBondContact O-N 2.97Å; I190-A192 VanDerWaalsContact C-N 3.35Å; I190-A192 PolarHBondContact O-N 3.2Å; I190-L193 PolarHBondContact O-N 2.82Å; I190-A194 WeakPolarHBondContact O-CA 3.27Å; I190-A194 WeakPolarHBondContact O-CB 3.13Å; I190-A194 PolarHBondContact O-N 2.99Å |
| 191 | V | 93.5 | Very high | 89.1 | Confident | 38 Ų | 38 | 56.9 Ų | 56.9 | 23% | 0.23 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.8 | -46.4 | -179.8 | 169.1 | 0 | 0 | 0 | 0 | 110.9 | W187 A189 V195 V229 | W187-V191 HydrophobicContact CD2-CG2 3.76Å; W187-V191 HydrophobicContact CE3-CG2 4.01Å; W187-V191 HydrophobicContact CG-CG2 4.42Å; W187-V191 HydrophobicContact CH2-CG2 3.85Å; W187-V191 HydrophobicContact CZ2-CG2 3.58Å; W187-V191 HydrophobicContact CZ3-CG2 4.05Å; W187-V191 WeakPolarHBondContact O-CB 2.72Å; W187-V191 VanDerWaalsContact O-CG2 3.31Å; W187-V191 WeakPolarHBondContact O-CG2 3.18Å; W187-V191 PolarHBondContact O-N 3.2Å; A189-V191 PolarHBondContact O-N 3.34Å; V191-V195 PolarHBondContact O-N 3.08Å; V191-V229 HydrophobicContact CG1-CG2 4.31Å |
| 192 | A | 91.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.8 | -42.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q188 A189 I190 V195 G196 V229 A233 A290 I293 | Q188-A192 VanDerWaalsContact O-CB 3.26Å; Q188-A192 WeakPolarHBondContact O-CB 3.24Å; Q188-A192 PolarHBondContact O-N 3.16Å; A189-A192 PolarHBondContact O-N 3.36Å; I190-A192 VanDerWaalsContact C-N 3.35Å; I190-A192 PolarHBondContact O-N 3.2Å; A192-V195 PolarHBondContact O-N 3.02Å; A192-G196 PolarHBondContact O-N 3.4Å; A192-V229 HydrophobicContact CB-CG1 3.6Å; A192-A233 HydrophobicContact CB-CB 4.19Å; A192-A290 WeakPolarHBondContact CB-O 3.28Å; A192-I293 HydrophobicContact CB-CB 4.4Å; A192-I293 HydrophobicContact CB-CG2 4.06Å |
| 193 | L | 91.1 | Very high | 88.7 | Confident | 28 Ų | 28 | 62.6 Ų | 62.6 | 15% | 0.147 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -71.6 | -32.8 | 176.8 | -67.4 | 176.1 | 0 | 0 | 0 | 112.6 | A189 I190 V195 G196 I197 M291 L295 | A189-L193 VanDerWaalsContact O-CB 3.24Å; A189-L193 WeakPolarHBondContact O-CB 3.3Å; A189-L193 WeakPolarHBondContact O-CG 3.42Å; A189-L193 PolarHBondContact O-N 3.36Å; I190-L193 PolarHBondContact O-N 2.82Å; L193-V195 PolarHBondContact O-N 2.82Å; L193-G196 PolarHBondContact O-N 2.87Å; L193-I197 HydrophobicContact CB-CD1 4.04Å; L193-I197 HydrophobicContact CB-CG1 4.42Å; L193-I197 VanDerWaalsContact O-CB 3.25Å; L193-I197 WeakPolarHBondContact O-CB 3.39Å; L193-I197 VanDerWaalsContact O-CG1 3.27Å; L193-I197 WeakPolarHBondContact O-CG1 3.22Å; L193-I197 PolarHBondContact O-N 3.49Å; L193-M291 HydrophobicContact CD2-CE 3.29Å; L193-M291 HydrophobicContact CD2-SD 3.82Å; L193-L295 HydrophobicContact CD2-CD2 4.21Å; L193-L295 HydrophobicContact CD2-CG 4.17Å |
| 194 | A | 93.1 | Very high | 87.9 | Confident | 62 Ų | 62 | 63.8 Ų | 63.8 | 51% | 0.512 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.8 | -25.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I190 P198 | I190-A194 WeakPolarHBondContact O-CA 3.27Å; I190-A194 WeakPolarHBondContact O-CB 3.13Å; I190-A194 PolarHBondContact O-N 2.99Å; A194-P198 WeakPolarHBondContact O-CD 3.26Å; A194-P198 WeakPolarHBondContact O-CG 3.48Å |
| 195 | V | 91.9 | Very high | 87.1 | Confident | 31 Ų | 31 | 63.2 Ų | 63.2 | 19% | 0.188 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -88.2 | -46.6 | 169.9 | 175.9 | 0 | 0 | 0 | 0 | 110.9 | V191 A192 L193 P198 V199 I225 V229 A290 | V191-V195 PolarHBondContact O-N 3.08Å; A192-V195 PolarHBondContact O-N 3.02Å; L193-V195 PolarHBondContact O-N 2.82Å; V195-P198 WeakPolarHBondContact O-CD 2.82Å; V195-V199 VanDerWaalsContact O-CG2 3.27Å; V195-V199 WeakPolarHBondContact O-CG2 3.47Å; V195-V199 PolarHBondContact O-N 3.19Å; V195-I225 HydrophobicContact CG1-CG2 3.87Å; V195-I225 HydrophobicContact CG2-CG2 3.79Å; V195-V229 HydrophobicContact CB-CG2 4.05Å; V195-V229 HydrophobicContact CG1-CG2 4.34Å; V195-V229 HydrophobicContact CG2-CG2 3.71Å; V195-A290 HydrophobicContact CG1-CB 4.4Å |
| 196 | G | 87.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.6 | -44.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | A192 L193 V199 M200 M291 | A192-G196 PolarHBondContact O-N 3.4Å; L193-G196 PolarHBondContact O-N 2.87Å; G196-V199 PolarHBondContact O-N 3.36Å; G196-M200 VanDerWaalsContact O-CB 3.26Å; G196-M200 WeakPolarHBondContact O-CB 3.39Å; G196-M200 PolarHBondContact O-N 3.31Å; G196-M291 VanDerWaalsContact C-SD 3.56Å |
| 197 | I | 88.7 | Confident | 84 | Confident | 78 Ų | 78 | 62.3 Ų | 62.3 | 40% | 0.4 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.7 | -50.6 | -176.5 | -66.3 | 170.4 | 0 | 0 | 0 | 111.1 | L193 V199 M200 V201 M291 | L193-I197 HydrophobicContact CB-CD1 4.04Å; L193-I197 HydrophobicContact CB-CG1 4.42Å; L193-I197 VanDerWaalsContact O-CB 3.25Å; L193-I197 WeakPolarHBondContact O-CB 3.39Å; L193-I197 VanDerWaalsContact O-CG1 3.27Å; L193-I197 WeakPolarHBondContact O-CG1 3.22Å; L193-I197 PolarHBondContact O-N 3.49Å; I197-V199 PolarHBondContact O-N 2.76Å; I197-M200 PolarHBondContact O-N 3.03Å; I197-V201 HydrophobicContact CG2-CG2 4.07Å; I197-V201 WeakPolarHBondContact O-CB 3.5Å; I197-V201 VanDerWaalsContact O-CG2 3.24Å; I197-V201 WeakPolarHBondContact O-CG2 3.38Å; I197-V201 PolarHBondContact O-N 3.21Å; I197-M291 HydrophobicContact CG1-SD 3.81Å |
| 198 | P | 88.8 | Confident | 82.7 | Confident | 74 Ų | 74 | 60.7 Ų | 60.7 | 48% | 0.481 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.7 | -40.8 | 177.8 | -27.7 | 37.9 | 0 | 0 | 0 | 113.6 | A194 V195 V201 W202 | A194-P198 WeakPolarHBondContact O-CD 3.26Å; A194-P198 WeakPolarHBondContact O-CG 3.48Å; V195-P198 WeakPolarHBondContact O-CD 2.82Å; P198-V201 PolarHBondContact O-N 3.38Å; P198-W202 WeakPolarHBondContact O-CB 3.26Å; P198-W202 PolarHBondContact O-N 2.92Å |
| 199 | V | 85.5 | Confident | 81.8 | Confident | 15 Ų | 15 | 60.2 Ų | 60.2 | 9% | 0.091 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.5 | -40.3 | 178 | -176.3 | 0 | 0 | 0 | 0 | 110.7 | V195 G196 I197 W202 G203 M209 W219 I222 E287 | V195-V199 VanDerWaalsContact O-CG2 3.27Å; V195-V199 WeakPolarHBondContact O-CG2 3.47Å; V195-V199 PolarHBondContact O-N 3.19Å; G196-V199 PolarHBondContact O-N 3.36Å; I197-V199 PolarHBondContact O-N 2.76Å; V199-W202 WeakPolarHBondContact O-CB 3.36Å; V199-W202 PolarHBondContact O-N 3.37Å; V199-G203 PolarHBondContact O-N 3.01Å; V199-M209 HydrophobicContact CG1-CE 3.84Å; V199-M209 HydrophobicContact CG1-SD 4.42Å; V199-W219 HydrophobicContact CG1-CH2 4.39Å; V199-W219 HydrophobicContact CG1-CZ3 3.98Å; V199-I222 HydrophobicContact CG1-CG2 4.44Å; V199-I222 HydrophobicContact CG2-CG2 4.01Å; V199-E287 HydrophobicContact CB-CB 3.89Å; V199-E287 HydrophobicContact CG1-CB 3.69Å |
| 200 | M | 82.7 | Confident | 81.1 | Confident | 51 Ų | 51 | 62.7 Ų | 62.7 | 25% | 0.251 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.6 | -46.2 | 174.1 | -179.1 | -173.5 | 70.4 | 0 | 0 | 111.9 | G196 I197 W202 G203 M204 E287 V807 | G196-M200 VanDerWaalsContact O-CB 3.26Å; G196-M200 WeakPolarHBondContact O-CB 3.39Å; G196-M200 PolarHBondContact O-N 3.31Å; I197-M200 PolarHBondContact O-N 3.03Å; M200-W202 VanDerWaalsContact C-N 3.28Å; M200-W202 PolarHBondContact O-N 3.19Å; M200-G203 PolarHBondContact O-N 3.29Å; M200-G203 VanDerWaalsContact O-N 3.16Å; M200-M204 HydrophobicContact CG-SD 4.44Å; M200-M204 WeakPolarHBondContact O-CG 3.49Å; M200-M204 PolarHBondContact O-N 3.43Å; M200-E287 HydrophobicContact CB-CB 4.36Å; M200-E287 HydrophobicContact CB-CG 4.39Å; M200-V807 HydrophobicContact SD-CG1 3.69Å |
| 201 | V | 84.4 | Confident | 80.5 | Confident | 58 Ų | 58 | 58.2 Ų | 58.2 | 35% | 0.352 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.9 | -38.9 | 178 | 169.5 | 0 | 0 | 0 | 0 | 110.6 | I197 P198 M204 I205 | I197-V201 HydrophobicContact CG2-CG2 4.07Å; I197-V201 WeakPolarHBondContact O-CB 3.5Å; I197-V201 VanDerWaalsContact O-CG2 3.24Å; I197-V201 WeakPolarHBondContact O-CG2 3.38Å; I197-V201 PolarHBondContact O-N 3.21Å; P198-V201 PolarHBondContact O-N 3.38Å; V201-M204 PolarHBondContact O-N 2.94Å; V201-M204 VanDerWaalsContact O-N 3.17Å; V201-I205 HydrophobicContact CG1-CD1 3.45Å; V201-I205 VanDerWaalsContact CG1-CD1 3.45Å; V201-I205 HydrophobicContact CG1-CG1 4.16Å; V201-I205 WeakPolarHBondContact O-CB 3.13Å; V201-I205 WeakPolarHBondContact O-CG1 3.49Å; V201-I205 PolarHBondContact O-N 3.3Å |
| 202 | W | 83.5 | Confident | 79.9 | Confident | 139 Ų | 139 | 59.4 Ų | 59.4 | 53% | 0.527 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58.8 | -48.4 | 172.8 | -171.6 | -81.9 | 0 | 0 | 0 | 111.7 | P198 V199 M200 M204 I205 G206 | P198-W202 WeakPolarHBondContact O-CB 3.26Å; P198-W202 PolarHBondContact O-N 2.92Å; V199-W202 WeakPolarHBondContact O-CB 3.36Å; V199-W202 PolarHBondContact O-N 3.37Å; M200-W202 VanDerWaalsContact C-N 3.28Å; M200-W202 PolarHBondContact O-N 3.19Å; W202-M204 PolarHBondContact O-N 2.97Å; W202-I205 PolarHBondContact O-N 2.91Å; W202-G206 PolarHBondContact O-N 3.31Å |
| 203 | G | 73.4 | Confident | 79.3 | Confident | 32 Ų | 32 | 63.9 Ų | 63.9 | 33% | 0.33 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.5 | -23 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | V199 M200 | V199-G203 PolarHBondContact O-N 3.01Å; M200-G203 PolarHBondContact O-N 3.29Å; M200-G203 VanDerWaalsContact O-N 3.16Å |
| 204 | M | 72.8 | Confident | 78.8 | Confident | 148 Ų | 148 | 69.6 Ų | 69.6 | 73% | 0.729 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -86.4 | -34.3 | 175.6 | -70.9 | -177.2 | 70.6 | 0 | 0 | 113.9 | M200 V201 W202 | M200-M204 HydrophobicContact CG-SD 4.44Å; M200-M204 WeakPolarHBondContact O-CG 3.49Å; M200-M204 PolarHBondContact O-N 3.43Å; V201-M204 PolarHBondContact O-N 2.94Å; V201-M204 VanDerWaalsContact O-N 3.17Å; W202-M204 PolarHBondContact O-N 2.97Å |
| 205 | I | 72.1 | Confident | 78.5 | Confident | 141 Ų | 141 | 67.8 Ų | 67.8 | 72% | 0.723 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -94.2 | -41.1 | -168.9 | -67.4 | 179.2 | 0 | 0 | 0 | 113.3 | V201 W202 | V201-I205 HydrophobicContact CG1-CD1 3.45Å; V201-I205 VanDerWaalsContact CG1-CD1 3.45Å; V201-I205 HydrophobicContact CG1-CG1 4.16Å; V201-I205 WeakPolarHBondContact O-CB 3.13Å; V201-I205 WeakPolarHBondContact O-CG1 3.49Å; V201-I205 PolarHBondContact O-N 3.3Å; W202-I205 PolarHBondContact O-N 2.91Å |
| 206 | G | 56.6 | Low | 78.1 | Confident | 58 Ų | 58 | 70.5 Ų | 70.5 | 60% | 0.598 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.1 | -27.8 | -148.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | W202 | W202-G206 PolarHBondContact O-N 3.31Š|
| 207 | D | 57.7 | Low | 78.2 | Confident | 93 Ų | 93 | 74.4 Ų | 74.4 | 50% | 0.497 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -162.5 | 138.7 | -174.3 | -136.8 | -18.8 | 0 | 0 | 0 | 109.9 | M209 | D207-M209 PolarHBondContact O-N 2.72Š|
| 208 | N | 64.9 | Low | 78.2 | Confident | 112 Ų | 112 | 75 Ų | 75 | 60% | 0.599 | 43% | 0.426 | S | S | * | . | trans | -54 | 134.3 | 174 | -69.9 | -42 | 0 | 0 | 0 | 107.4 | M210 | N208-M210 HydrophobicContact CB-CB 4.25Å; N208-M210 HydrophobicContact CB-CE 3.7Å; N208-M210 HydrophobicContact CB-CG 3.97Å; N208-M210 PolarHBondContact O-N 3.45Å | ||
| 209 | M | 73.2 | Confident | 78.2 | Confident | 7 Ų | 7 | 71.7 Ų | 71.7 | 3% | 0.034 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -64.2 | 29 | 174.9 | -66.4 | -75.5 | -59.3 | 0 | 0 | 112.6 | V199 D207 W219 H283 L284 E287 | V199-M209 HydrophobicContact CG1-CE 3.84Å; V199-M209 HydrophobicContact CG1-SD 4.42Å; D207-M209 PolarHBondContact O-N 2.72Å; M209-W219 HydrophobicContact CE-CH2 3.47Å; M209-W219 VanDerWaalsContact CE-CH2 3.47Å; M209-W219 HydrophobicContact CE-CZ2 4.36Å; M209-W219 HydrophobicContact CE-CZ3 3.67Å; M209-W219 HydrophobicContact SD-CH2 3.38Å; M209-W219 WeakPolarHBondContact SD-CH2 3.46Å; M209-W219 HydrophobicContact SD-CZ2 4.04Å; M209-W219 HydrophobicContact SD-CZ3 4.19Å; M209-H283 CarbonylContact O-C 3.4Å; M209-H283 WeakPolarHBondContact O-CA 3.34Å; M209-L284 HydrophobicContact CE-CB 4.41Å; M209-L284 PolarHBondContact O-N 3.37Å; M209-E287 HydrophobicContact CE-CG 4.5Å; M209-E287 WeakPolarHBondContact CE-OE2 3.31Å |
| 210 | M | 77 | Confident | 78.5 | Confident | 54 Ų | 54 | 73.2 Ų | 73.2 | 27% | 0.266 | 41% | 0.412 | S | S | . | . | B | Isolated β-bridge | trans | -91.2 | 138.7 | -178.4 | -70.2 | -162.1 | -68.3 | 0 | 0 | 110.9 | N208 T212 N215 M279 R282 | N208-M210 HydrophobicContact CB-CB 4.25Å; N208-M210 HydrophobicContact CB-CE 3.7Å; N208-M210 HydrophobicContact CB-CG 3.97Å; N208-M210 PolarHBondContact O-N 3.45Å; M210-T212 PolarHBondContact O-N 3.47Å; M210-N215 PolarHBondContact O-ND2 3.11Å; M210-M279 VanDerWaalsContact SD-O 3.41Å; M210-R282 VanDerWaalsContact CA-O 3.32Å; M210-R282 WeakPolarHBondContact CA-O 3.47Å |
| 211 | V | 79.9 | Confident | 79 | Confident | 4 Ų | 4 | 74.7 Ų | 74.7 | 2% | 0.024 | 42% | 0.424 | C | S | . | . | trans | -74.1 | 117.4 | 172 | -178.5 | 0 | 0 | 0 | 0 | 110.2 | R216 V270 N271 P274 R282 L284 | V211-R216 HydrophobicContact CG1-CB 4.27Å; V211-R216 HydrophobicContact CG1-CG 4.13Å; V211-V270 HydrophobicContact CG2-CG1 4.12Å; V211-N271 HydrophobicContact CG2-CB 4.33Å; V211-P274 HydrophobicContact CG1-CB 4.32Å; V211-R282 PolarHBondContact N-O 3.06Å; V211-L284 HydrophobicContact CG2-CD1 3.6Å; V211-L284 HydrophobicContact CG2-CD2 3.74Å; V211-L284 HydrophobicContact CG2-CG 3.79Å | ||
| 212 | T | 80.6 | Confident | 79.3 | Confident | 62 Ų | 62 | 73.2 Ų | 73.2 | 38% | 0.38 | 41% | 0.413 | S | S | . | . | trans | -109.1 | 168.7 | 167.2 | 67.7 | 0 | 0 | 0 | 0 | 109.6 | M210 D214 N215 R216 | M210-T212 PolarHBondContact O-N 3.47Å; T212-D214 PolarHBondContact O-N 2.54Å; T212-N215 PolarHBondContact N-OD1 3.45Å; T212-N215 PolarHBondContact O-OD1 3.11Å; T212-N215 VanDerWaalsContact O-OD1 3.11Å; T212-N215 PolarHBondContact OG1-N 3.06Å; T212-N215 PolarHBondContact OG1-ND2 2.97Å; T212-N215 PolarHBondContact OG1-OD1 3.09Å; T212-R216 PolarHBondContact O-N 3.39Å | ||
| 213 | A | 78.6 | Confident | 79.8 | Confident | 94 Ų | 94 | 66.6 Ų | 66.6 | 78% | 0.777 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -33.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 214 | D | 81.5 | Confident | 80.8 | Confident | 149 Ų | 149 | 70.1 Ų | 70.1 | 80% | 0.797 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -35.4 | -173.6 | -57 | -34.2 | 0 | 0 | 0 | 113 | T212 | T212-D214 PolarHBondContact O-N 2.54Š|
| 215 | N | 86.4 | Confident | 81.8 | Confident | 23 Ų | 23 | 66.7 Ų | 66.7 | 12% | 0.123 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -2.8 | -176 | 70.9 | 12.5 | 0 | 0 | 0 | 113.9 | M210 T212 S217 L218 W219 | M210-N215 PolarHBondContact O-ND2 3.11Å; T212-N215 PolarHBondContact N-OD1 3.45Å; T212-N215 PolarHBondContact O-OD1 3.11Å; T212-N215 VanDerWaalsContact O-OD1 3.11Å; T212-N215 PolarHBondContact OG1-N 3.06Å; T212-N215 PolarHBondContact OG1-ND2 2.97Å; T212-N215 PolarHBondContact OG1-OD1 3.09Å; N215-S217 VanDerWaalsContact C-N 3.34Å; N215-S217 PolarHBondContact O-N 3.48Å; N215-L218 WeakPolarHBondContact O-CB 3.29Å; N215-L218 PolarHBondContact O-N 3.05Å; N215-L218 VanDerWaalsContact O-N 3.15Å; N215-W219 PolarHBondContact ND2-NE1 2.79Å; N215-W219 VanDerWaalsContact O-CD1 3.26Å; N215-W219 PolarHBondContact O-N 2.95Å |
| 216 | R | 85 | Confident | 82.8 | Confident | 88 Ų | 88 | 60 Ų | 60 | 33% | 0.332 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -55.1 | -45.7 | -174.8 | -168.9 | -176.9 | 179.9 | -169.6 | -4.4 | 113 | V211 T212 W219 L220 N271 L272 | V211-R216 HydrophobicContact CG1-CB 4.27Å; V211-R216 HydrophobicContact CG1-CG 4.13Å; T212-R216 PolarHBondContact O-N 3.39Å; R216-W219 PolarHBondContact O-N 2.88Å; R216-L220 HydrophobicContact CG-CD1 4.47Å; R216-L220 WeakPolarHBondContact O-CG 3.49Å; R216-L220 PolarHBondContact O-N 3.2Å; R216-N271 VanDerWaalsContact CG-OD1 3.24Å; R216-N271 WeakPolarHBondContact CG-OD1 3.48Å; R216-N271 PolarHBondContact NE-O 3.45Å; R216-N271 PolarHBondContact NH2-O 3.34Å; R216-N271 PolarHBondContact O-OD1 2.93Å; R216-L272 PolarHBondContact NH2-O 3.43Å |
| 217 | S | 88.5 | Confident | 84.6 | Confident | 82 Ų | 82 | 60.1 Ų | 60.1 | 57% | 0.573 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -63.8 | -42.5 | 179.7 | 56.7 | 0 | 0 | 0 | 0 | 111.8 | N215 L220 V221 | N215-S217 VanDerWaalsContact C-N 3.34Å; N215-S217 PolarHBondContact O-N 3.48Å; S217-L220 PolarHBondContact O-N 3.36Å; S217-V221 WeakPolarHBondContact O-CG2 3.49Å; S217-V221 PolarHBondContact O-N 2.77Å; S217-V221 VanDerWaalsContact O-N 3.09Å |
| 218 | L | 89.3 | Confident | 86.4 | Confident | 90 Ų | 90 | 57.7 Ų | 57.7 | 47% | 0.471 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.9 | -46.8 | 175.5 | -178 | 68.1 | 0 | 0 | 0 | 111 | N215 L220 V221 I222 | N215-L218 WeakPolarHBondContact O-CB 3.29Å; N215-L218 PolarHBondContact O-N 3.05Å; N215-L218 VanDerWaalsContact O-N 3.15Å; L218-L220 VanDerWaalsContact C-N 3.31Å; L218-L220 PolarHBondContact O-N 3.31Å; L218-V221 WeakPolarHBondContact O-CB 3.05Å; L218-V221 PolarHBondContact O-N 3.42Å; L218-I222 HydrophobicContact CG-CD1 4.14Å; L218-I222 WeakPolarHBondContact O-CG1 3.46Å; L218-I222 PolarHBondContact O-N 2.6Å |
| 219 | W | 89.4 | Confident | 87.8 | Confident | 5 Ų | 5 | 52.6 Ų | 52.6 | 2% | 0.019 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66 | -31.4 | 177.8 | -73.3 | 124.5 | 0 | 0 | 0 | 113.3 | V199 M209 N215 R216 I222 G223 N271 L284 Y286 | V199-W219 HydrophobicContact CG1-CH2 4.39Å; V199-W219 HydrophobicContact CG1-CZ3 3.98Å; M209-W219 HydrophobicContact CE-CH2 3.47Å; M209-W219 VanDerWaalsContact CE-CH2 3.47Å; M209-W219 HydrophobicContact CE-CZ2 4.36Å; M209-W219 HydrophobicContact CE-CZ3 3.67Å; M209-W219 HydrophobicContact SD-CH2 3.38Å; M209-W219 WeakPolarHBondContact SD-CH2 3.46Å; M209-W219 HydrophobicContact SD-CZ2 4.04Å; M209-W219 HydrophobicContact SD-CZ3 4.19Å; N215-W219 PolarHBondContact ND2-NE1 2.79Å; N215-W219 VanDerWaalsContact O-CD1 3.26Å; N215-W219 PolarHBondContact O-N 2.95Å; R216-W219 PolarHBondContact O-N 2.88Å; W219-I222 HydrophobicContact CD2-CD1 4.42Å; W219-I222 HydrophobicContact CE3-CB 4.18Å; W219-I222 HydrophobicContact CE3-CD1 3.63Å; W219-I222 HydrophobicContact CE3-CG1 4.5Å; W219-I222 HydrophobicContact CE3-CG2 4.21Å; W219-I222 HydrophobicContact CH2-CD1 4.43Å; W219-I222 HydrophobicContact CZ3-CD1 3.65Å; W219-I222 HydrophobicContact CZ3-CG2 4.26Å; W219-I222 PolarHBondContact O-N 2.94Å; W219-G223 PolarHBondContact O-N 2.91Å; W219-N271 WeakPolarHBondContact CB-ND2 3.32Å; W219-N271 PolarHBondContact O-ND2 3.13Å; W219-L284 HydrophobicContact CB-CD1 3.69Å; W219-L284 HydrophobicContact CD2-CD1 3.28Å; W219-L284 HydrophobicContact CE3-CD1 3.56Å; W219-L284 HydrophobicContact CG-CD1 3.33Å; W219-L284 HydrophobicContact CZ3-CD1 4.36Å; W219-Y286 HydrophobicContact CE3-CD2 4.14Å; W219-Y286 WeakPolarHBondContact O-CE2 3.46Å |
| 220 | L | 91.4 | Very high | 88.8 | Confident | 48 Ų | 48 | 52.8 Ų | 52.8 | 25% | 0.251 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.2 | -41.1 | 174.9 | -76.7 | 171.4 | 0 | 0 | 0 | 110.4 | R216 S217 L218 G223 L224 M268 N271 L272 | R216-L220 HydrophobicContact CG-CD1 4.47Å; R216-L220 WeakPolarHBondContact O-CG 3.49Å; R216-L220 PolarHBondContact O-N 3.2Å; S217-L220 PolarHBondContact O-N 3.36Å; L218-L220 VanDerWaalsContact C-N 3.31Å; L218-L220 PolarHBondContact O-N 3.31Å; L220-G223 PolarHBondContact O-N 2.85Å; L220-L224 WeakPolarHBondContact O-CG 3.4Å; L220-L224 PolarHBondContact O-N 2.84Å; L220-M268 HydrophobicContact CD2-SD 4Å; L220-N271 WeakPolarHBondContact CA-ND2 3.46Å; L220-N271 HydrophobicContact CD2-CB 4.16Å; L220-N271 PolarHBondContact N-ND2 2.96Å; L220-L272 HydrophobicContact CD2-CD2 3.9Å; L220-L272 HydrophobicContact CD2-CG 4.39Å |
| 221 | V | 92.6 | Very high | 89.6 | Confident | 81 Ų | 81 | 54.3 Ų | 54.3 | 49% | 0.491 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.7 | -46.6 | 173.8 | 174 | 0 | 0 | 0 | 0 | 110.7 | S217 L218 G223 L224 I225 | S217-V221 WeakPolarHBondContact O-CG2 3.49Å; S217-V221 PolarHBondContact O-N 2.77Å; S217-V221 VanDerWaalsContact O-N 3.09Å; L218-V221 WeakPolarHBondContact O-CB 3.05Å; L218-V221 PolarHBondContact O-N 3.42Å; V221-G223 VanDerWaalsContact C-N 3.31Å; V221-G223 PolarHBondContact O-N 3.02Å; V221-L224 PolarHBondContact O-N 2.98Å; V221-I225 HydrophobicContact CG1-CD1 3.85Å; V221-I225 HydrophobicContact CG1-CG1 4.43Å; V221-I225 VanDerWaalsContact O-CG1 3.31Å; V221-I225 WeakPolarHBondContact O-CG1 3.26Å; V221-I225 PolarHBondContact O-N 2.66Å |
| 222 | I | 92 | Very high | 90.1 | Very high | 27 Ų | 27 | 61 Ų | 61 | 14% | 0.138 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.9 | -42.4 | 175.2 | -67.6 | 168.5 | 0 | 0 | 0 | 110.6 | V199 L218 W219 L224 I225 T226 Y286 | V199-I222 HydrophobicContact CG1-CG2 4.44Å; V199-I222 HydrophobicContact CG2-CG2 4.01Å; L218-I222 HydrophobicContact CG-CD1 4.14Å; L218-I222 WeakPolarHBondContact O-CG1 3.46Å; L218-I222 PolarHBondContact O-N 2.6Å; W219-I222 HydrophobicContact CD2-CD1 4.42Å; W219-I222 HydrophobicContact CE3-CB 4.18Å; W219-I222 HydrophobicContact CE3-CD1 3.63Å; W219-I222 HydrophobicContact CE3-CG1 4.5Å; W219-I222 HydrophobicContact CE3-CG2 4.21Å; W219-I222 HydrophobicContact CH2-CD1 4.43Å; W219-I222 HydrophobicContact CZ3-CD1 3.65Å; W219-I222 HydrophobicContact CZ3-CG2 4.26Å; W219-I222 PolarHBondContact O-N 2.94Å; I222-L224 VanDerWaalsContact C-N 3.34Å; I222-L224 PolarHBondContact O-N 3.22Å; I222-I225 PolarHBondContact O-N 2.98Å; I222-T226 WeakPolarHBondContact O-CB 3.49Å; I222-T226 PolarHBondContact O-N 3.3Å; I222-T226 PolarHBondContact O-OG1 3.03Å; I222-T226 VanDerWaalsContact O-OG1 3.04Å; I222-Y286 HydrophobicContact CG2-CD2 4.09Å; I222-Y286 HydrophobicContact CG2-CG 4.4Å |
| 223 | G | 92.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59.4 | -41.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | W219 L220 V221 T226 L227 W264 | W219-G223 PolarHBondContact O-N 2.91Å; L220-G223 PolarHBondContact O-N 2.85Å; V221-G223 VanDerWaalsContact C-N 3.31Å; V221-G223 PolarHBondContact O-N 3.02Å; G223-T226 PolarHBondContact O-N 3.33Å; G223-L227 PolarHBondContact O-N 3.3Å; G223-W264 PolarHBondContact O-NE1 2.78Å |
| 224 | L | 94.7 | Very high | 91.1 | Very high | 106 Ų | 106 | 53.5 Ų | 53.5 | 56% | 0.555 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -68.7 | -38.3 | 174.6 | -69.9 | 173.9 | 0 | 0 | 0 | 112.6 | L220 V221 I222 L227 A228 M268 | L220-L224 WeakPolarHBondContact O-CG 3.4Å; L220-L224 PolarHBondContact O-N 2.84Å; V221-L224 PolarHBondContact O-N 2.98Å; I222-L224 VanDerWaalsContact C-N 3.34Å; I222-L224 PolarHBondContact O-N 3.22Å; L224-L227 WeakPolarHBondContact O-CB 3.38Å; L224-L227 PolarHBondContact O-N 3.25Å; L224-A228 PolarHBondContact O-N 2.82Å; L224-M268 HydrophobicContact CD2-CE 4.47Å |
| 225 | I | 94.6 | Very high | 91.5 | Very high | 77 Ų | 77 | 47 Ų | 47 | 40% | 0.395 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.6 | -45 | 173.9 | -68.1 | 167.7 | 0 | 0 | 0 | 110 | V195 V221 I222 L227 A228 V229 | V195-I225 HydrophobicContact CG1-CG2 3.87Å; V195-I225 HydrophobicContact CG2-CG2 3.79Å; V221-I225 HydrophobicContact CG1-CD1 3.85Å; V221-I225 HydrophobicContact CG1-CG1 4.43Å; V221-I225 VanDerWaalsContact O-CG1 3.31Å; V221-I225 WeakPolarHBondContact O-CG1 3.26Å; V221-I225 PolarHBondContact O-N 2.66Å; I222-I225 PolarHBondContact O-N 2.98Å; I225-L227 VanDerWaalsContact C-N 3.3Å; I225-L227 PolarHBondContact O-N 3.22Å; I225-A228 WeakPolarHBondContact O-CA 3.46Å; I225-A228 WeakPolarHBondContact O-CB 3.43Å; I225-A228 PolarHBondContact O-N 3.03Å; I225-A228 VanDerWaalsContact O-N 3.11Å; I225-V229 WeakPolarHBondContact O-CG2 3.22Å; I225-V229 PolarHBondContact O-N 3.2Å |
| 226 | T | 93.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.7 | -38.3 | 176 | -60.3 | 0 | 0 | 0 | 0 | 111.3 | I222 G223 A228 V229 M230 Y286 | I222-T226 WeakPolarHBondContact O-CB 3.49Å; I222-T226 PolarHBondContact O-N 3.3Å; I222-T226 PolarHBondContact O-OG1 3.03Å; I222-T226 VanDerWaalsContact O-OG1 3.04Å; G223-T226 PolarHBondContact O-N 3.33Å; T226-A228 VanDerWaalsContact C-N 3.34Å; T226-A228 PolarHBondContact O-N 3.02Å; T226-V229 WeakPolarHBondContact O-CB 3.48Å; T226-V229 PolarHBondContact O-N 3.22Å; T226-M230 HydrophobicContact CG2-SD 4.17Å; T226-M230 VanDerWaalsContact O-CG 3.29Å; T226-M230 WeakPolarHBondContact O-CG 3.46Å; T226-M230 PolarHBondContact O-N 3.1Å; T226-Y286 HydrophobicContact CG2-CD1 4.48Å; T226-Y286 WeakPolarHBondContact CG2-O 3.37Å |
| 227 | L | 94.7 | Very high | 91.4 | Very high | 61 Ų | 61 | 44.3 Ų | 44.3 | 32% | 0.319 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -61 | -44 | 172.1 | -177.1 | 62.4 | 0 | 0 | 0 | 111.3 | G223 L224 I225 V229 M230 V231 W264 | G223-L227 PolarHBondContact O-N 3.3Å; L224-L227 WeakPolarHBondContact O-CB 3.38Å; L224-L227 PolarHBondContact O-N 3.25Å; I225-L227 VanDerWaalsContact C-N 3.3Å; I225-L227 PolarHBondContact O-N 3.22Å; L227-V229 VanDerWaalsContact C-N 3.32Å; L227-V229 PolarHBondContact O-N 3.08Å; L227-M230 WeakPolarHBondContact O-CB 3.23Å; L227-M230 PolarHBondContact O-N 2.78Å; L227-V231 WeakPolarHBondContact O-CG2 3.28Å; L227-V231 PolarHBondContact O-N 2.62Å; L227-W264 HydrophobicContact CB-CZ2 3.62Å; L227-W264 HydrophobicContact CD1-CD2 4.44Å; L227-W264 HydrophobicContact CD1-CH2 3.93Å; L227-W264 HydrophobicContact CD1-CZ2 3.77Å; L227-W264 HydrophobicContact CD1-CZ3 4.31Å; L227-W264 HydrophobicContact CD2-CH2 3.94Å; L227-W264 HydrophobicContact CD2-CZ2 3.74Å; L227-W264 HydrophobicContact CG-CH2 4.35Å; L227-W264 HydrophobicContact CG-CZ2 3.9Å |
| 228 | A | 94.8 | Very high | 91.5 | Very high | 41 Ų | 41 | 43.3 Ų | 43.3 | 34% | 0.339 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -60.5 | -42.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L224 I225 T226 M230 V231 F232 | L224-A228 PolarHBondContact O-N 2.82Å; I225-A228 WeakPolarHBondContact O-CA 3.46Å; I225-A228 WeakPolarHBondContact O-CB 3.43Å; I225-A228 PolarHBondContact O-N 3.03Å; I225-A228 VanDerWaalsContact O-N 3.11Å; T226-A228 VanDerWaalsContact C-N 3.34Å; T226-A228 PolarHBondContact O-N 3.02Å; A228-M230 PolarHBondContact O-N 3.33Å; A228-V231 PolarHBondContact O-N 3.21Å; A228-F232 HydrophobicContact CB-CD2 4.23Å; A228-F232 HydrophobicContact CB-CE2 4.33Å; A228-F232 WeakPolarHBondContact O-CB 3.49Å; A228-F232 WeakPolarHBondContact O-CD2 3.21Å; A228-F232 PolarHBondContact O-N 2.86Å |
| 229 | V | 94.1 | Very high | 91.4 | Very high | 5 Ų | 5 | 48 Ų | 48 | 3% | 0.03 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.1 | -46.8 | 172.6 | 172.5 | 0 | 0 | 0 | 0 | 111 | V191 A192 V195 I225 T226 L227 V231 F232 A233 G234 A290 | V191-V229 HydrophobicContact CG1-CG2 4.31Å; A192-V229 HydrophobicContact CB-CG1 3.6Å; V195-V229 HydrophobicContact CB-CG2 4.05Å; V195-V229 HydrophobicContact CG1-CG2 4.34Å; V195-V229 HydrophobicContact CG2-CG2 3.71Å; I225-V229 WeakPolarHBondContact O-CG2 3.22Å; I225-V229 PolarHBondContact O-N 3.2Å; T226-V229 WeakPolarHBondContact O-CB 3.48Å; T226-V229 PolarHBondContact O-N 3.22Å; L227-V229 VanDerWaalsContact C-N 3.32Å; L227-V229 PolarHBondContact O-N 3.08Å; V229-V231 VanDerWaalsContact C-N 3.27Å; V229-V231 PolarHBondContact O-N 3.28Å; V229-F232 PolarHBondContact O-N 2.85Å; V229-A233 HydrophobicContact CG1-CB 4.11Å; V229-A233 WeakPolarHBondContact O-CA 3.29Å; V229-A233 VanDerWaalsContact O-CB 3.25Å; V229-A233 WeakPolarHBondContact O-CB 3.48Å; V229-A233 PolarHBondContact O-N 3.01Å; V229-G234 PolarHBondContact O-N 2.8Å; V229-G234 VanDerWaalsContact O-N 3.15Å; V229-A290 HydrophobicContact CG1-CB 4.48Å |
| 230 | M | 93.8 | Very high | 90.8 | Very high | 11 Ų | 11 | 49.2 Ų | 49.2 | 5% | 0.054 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.2 | -37.1 | 178.1 | -70.4 | 163.4 | 73.3 | 0 | 0 | 112 | T226 L227 A228 G234 G235 Y238 W264 I293 | T226-M230 HydrophobicContact CG2-SD 4.17Å; T226-M230 VanDerWaalsContact O-CG 3.29Å; T226-M230 WeakPolarHBondContact O-CG 3.46Å; T226-M230 PolarHBondContact O-N 3.1Å; L227-M230 WeakPolarHBondContact O-CB 3.23Å; L227-M230 PolarHBondContact O-N 2.78Å; A228-M230 PolarHBondContact O-N 3.33Å; M230-G234 CarbonylContact O-C 3.58Å; M230-G234 WeakPolarHBondContact O-CA 3.44Å; M230-G234 PolarHBondContact O-N 3.4Å; M230-G235 PolarHBondContact O-N 3.47Å; M230-Y238 HydrophobicContact CB-CE2 4.11Å; M230-Y238 HydrophobicContact CE-CE1 4.45Å; M230-Y238 WeakPolarHBondContact CE-OH 3.48Å; M230-W264 HydrophobicContact CE-CB 3.61Å; M230-W264 HydrophobicContact CE-CD2 4.47Å; M230-W264 HydrophobicContact CE-CG 3.95Å; M230-W264 HydrophobicContact SD-CB 3.54Å; M230-W264 VanDerWaalsContact SD-CB 3.54Å; M230-W264 VanDerWaalsContact SD-CD1 3.53Å; M230-W264 HydrophobicContact SD-CD2 4.21Å; M230-W264 HydrophobicContact SD-CG 3.46Å; M230-I293 HydrophobicContact CB-CD1 4.21Å; M230-I293 HydrophobicContact CG-CD1 3.66Å |
| 231 | V | 93.6 | Very high | 90.3 | Very high | 87 Ų | 87 | 47.4 Ų | 47.4 | 53% | 0.527 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -74.7 | -49.5 | 178 | 173.7 | 0 | 0 | 0 | 0 | 112 | L227 A228 V229 G235 | L227-V231 WeakPolarHBondContact O-CG2 3.28Å; L227-V231 PolarHBondContact O-N 2.62Å; A228-V231 PolarHBondContact O-N 3.21Å; V229-V231 VanDerWaalsContact C-N 3.27Å; V229-V231 PolarHBondContact O-N 3.28Å; V231-G235 VanDerWaalsContact O-CA 3.25Å; V231-G235 WeakPolarHBondContact O-CA 3.46Å; V231-G235 PolarHBondContact O-N 3.16Å |
| 232 | F | 91.9 | Very high | 90 | Very high | 143 Ų | 143 | 51.5 Ų | 51.5 | 63% | 0.627 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -83.7 | -42.6 | -173.3 | -68.7 | -65.8 | 0 | 0 | 0 | 113.7 | Q188 A228 V229 | Q188-F232 PolarHBondContact NE2-O 3.39Å; A228-F232 HydrophobicContact CB-CD2 4.23Å; A228-F232 HydrophobicContact CB-CE2 4.33Å; A228-F232 WeakPolarHBondContact O-CB 3.49Å; A228-F232 WeakPolarHBondContact O-CD2 3.21Å; A228-F232 PolarHBondContact O-N 2.86Å; V229-F232 PolarHBondContact O-N 2.85Å |
| 233 | A | 91.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -33.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q188 A192 V229 I293 N297 | Q188-A233 HydrophobicContact CB-CB 3.92Å; Q188-A233 HydrophobicContact CG-CB 4.32Å; Q188-A233 WeakPolarHBondContact O-CB 3.25Å; A192-A233 HydrophobicContact CB-CB 4.19Å; V229-A233 HydrophobicContact CG1-CB 4.11Å; V229-A233 WeakPolarHBondContact O-CA 3.29Å; V229-A233 VanDerWaalsContact O-CB 3.25Å; V229-A233 WeakPolarHBondContact O-CB 3.48Å; V229-A233 PolarHBondContact O-N 3.01Å; A233-I293 HydrophobicContact CB-CG2 4.02Å; A233-N297 PolarHBondContact O-ND2 2.96Å |
| 234 | G | 88.9 | Confident | 88.2 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | -6.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | V229 M230 H236 F237 Y238 | V229-G234 PolarHBondContact O-N 2.8Å; V229-G234 VanDerWaalsContact O-N 3.15Å; M230-G234 CarbonylContact O-C 3.58Å; M230-G234 WeakPolarHBondContact O-CA 3.44Å; M230-G234 PolarHBondContact O-N 3.4Å; G234-H236 PolarHBondContact O-N 3.25Å; G234-F237 WeakPolarHBondContact O-CB 3.31Å; G234-F237 PolarHBondContact O-N 2.84Å; G234-Y238 VanDerWaalsContact O-CD2 3.27Å; G234-Y238 WeakPolarHBondContact O-CD2 3.4Å |
| 235 | G | 89.4 | Confident | 87.5 | Confident | 12 Ų | 12 | 55.5 Ų | 55.5 | 12% | 0.124 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.5 | -26.8 | -168.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | M230 V231 R239 | M230-G235 PolarHBondContact O-N 3.47Å; V231-G235 VanDerWaalsContact O-CA 3.25Å; V231-G235 WeakPolarHBondContact O-CA 3.46Å; V231-G235 PolarHBondContact O-N 3.16Å; G235-R239 WeakPolarHBondContact O-CG 3.36Å; G235-R239 PolarHBondContact O-N 3.37Å; G235-R239 VanDerWaalsContact O-N 3.16Å |
| 236 | H | 84.3 | Confident | 86.8 | Confident | 54 Ų | 54 | 57.4 Ų | 57.4 | 25% | 0.25 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -68.5 | -36.4 | 176.8 | 73.5 | 85.1 | 0 | 0 | 0 | 112.6 | G234 R239 S240 N297 | G234-H236 PolarHBondContact O-N 3.25Å; H236-R239 PolarHBondContact O-N 3Å; H236-S240 VanDerWaalsContact O-CB 3.27Å; H236-S240 WeakPolarHBondContact O-CB 3.31Å; H236-S240 PolarHBondContact O-N 2.69Å; H236-N297 PolarHBondContact NE2-OD1 2.82Å |
| 237 | F | 84.6 | Confident | 85.6 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.8 | -47.7 | 175.4 | -63.5 | -65.1 | 0 | 0 | 0 | 110.9 | G234 S240 A241 M252 D253 V256 I293 I296 H300 | G234-F237 WeakPolarHBondContact O-CB 3.31Å; G234-F237 PolarHBondContact O-N 2.84Å; F237-S240 PolarHBondContact O-N 2.81Å; F237-A241 WeakPolarHBondContact O-CB 3.38Å; F237-A241 PolarHBondContact O-N 3.38Å; F237-M252 HydrophobicContact CD1-CE 4.48Å; F237-M252 HydrophobicContact CE1-CE 3.83Å; F237-D253 HydrophobicContact CD1-CB 4.28Å; F237-D253 VanDerWaalsContact CD1-OD1 3.29Å; F237-D253 WeakPolarHBondContact CD1-OD1 3.09Å; F237-V256 HydrophobicContact CB-CG1 4.28Å; F237-V256 HydrophobicContact CD1-CB 4.2Å; F237-V256 HydrophobicContact CD1-CG1 4.12Å; F237-V256 HydrophobicContact CD1-CG2 4.44Å; F237-V256 HydrophobicContact CD2-CG1 3.95Å; F237-V256 HydrophobicContact CE1-CG1 4.44Å; F237-V256 HydrophobicContact CE2-CG1 4.31Å; F237-V256 HydrophobicContact CG-CB 4.3Å; F237-V256 HydrophobicContact CG-CG1 3.87Å; F237-I293 HydrophobicContact CE2-CG2 4.44Å; F237-I296 HydrophobicContact CE1-CG2 3.82Å; F237-I296 HydrophobicContact CZ-CB 4.13Å; F237-I296 HydrophobicContact CZ-CG2 3.5Å; F237-I296 VanDerWaalsContact CZ-CG2 3.5Å; F237-H300 AromaticContact CE1-CE1 3.78Å |
| 238 | Y | 90.2 | Very high | 84.5 | Confident | 62 Ų | 62 | 63 Ų | 63 | 24% | 0.243 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.4 | -40.9 | -179.4 | -58.9 | -81 | 0 | 0 | 0 | 112.7 | M230 G234 W242 A257 T260 | M230-Y238 HydrophobicContact CB-CE2 4.11Å; M230-Y238 HydrophobicContact CE-CE1 4.45Å; M230-Y238 WeakPolarHBondContact CE-OH 3.48Å; G234-Y238 VanDerWaalsContact O-CD2 3.27Å; G234-Y238 WeakPolarHBondContact O-CD2 3.4Å; Y238-W242 VanDerWaalsContact O-CB 3.31Å; Y238-W242 WeakPolarHBondContact O-CB 3.42Å; Y238-W242 PolarHBondContact O-N 2.93Å; Y238-A257 HydrophobicContact CD1-CB 3.61Å; Y238-A257 HydrophobicContact CE1-CB 3.91Å; Y238-A257 WeakPolarHBondContact CE1-O 3.18Å; Y238-A257 HydrophobicContact CG-CB 4.32Å; Y238-T260 PolarHBondContact OH-OG1 2.82Å |
| 239 | R | 86.9 | Confident | 82.8 | Confident | 189 Ų | 189 | 62.9 Ų | 62.9 | 71% | 0.713 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -63.7 | -43.6 | 176.3 | -71.4 | 175.1 | -170.8 | 176.5 | 3.2 | 111.5 | G235 H236 K243 | G235-R239 WeakPolarHBondContact O-CG 3.36Å; G235-R239 PolarHBondContact O-N 3.37Å; G235-R239 VanDerWaalsContact O-N 3.16Å; H236-R239 PolarHBondContact O-N 3Å; R239-K243 WeakPolarHBondContact O-CG 3.38Å; R239-K243 PolarHBondContact O-N 2.99Å; R239-K243 VanDerWaalsContact O-N 3.09Å |
| 240 | S | 77.9 | Confident | 81.4 | Confident | 30 Ų | 30 | 65.4 Ų | 65.4 | 21% | 0.21 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.5 | -46 | 178.2 | -173.6 | 0 | 0 | 0 | 0 | 111.4 | H236 F237 W242 K243 S244 D253 | H236-S240 VanDerWaalsContact O-CB 3.27Å; H236-S240 WeakPolarHBondContact O-CB 3.31Å; H236-S240 PolarHBondContact O-N 2.69Å; F237-S240 PolarHBondContact O-N 2.81Å; S240-W242 VanDerWaalsContact C-N 3.34Å; S240-W242 PolarHBondContact O-N 3Å; S240-K243 CarbonylContact O-C 3.52Å; S240-K243 WeakPolarHBondContact O-CB 3.48Å; S240-K243 PolarHBondContact O-N 3.06Å; S240-S244 WeakPolarHBondContact O-CB 3.39Å; S240-S244 PolarHBondContact O-N 2.89Å; S240-S244 PolarHBondContact O-OG 2.65Å; S240-D253 WeakPolarHBondContact CB-OD2 2.96Å; S240-D253 PolarHBondContact OG-OD2 3.19Å |
| 241 | A | 81.5 | Confident | 80.1 | Confident | 9 Ų | 9 | 65.8 Ų | 65.8 | 7% | 0.074 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -55.6 | -45.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F237 S244 L245 A257 | F237-A241 WeakPolarHBondContact O-CB 3.38Å; F237-A241 PolarHBondContact O-N 3.38Å; A241-S244 PolarHBondContact O-N 2.94Å; A241-L245 WeakPolarHBondContact O-CB 3.24Å; A241-L245 PolarHBondContact O-N 3.09Å; A241-A257 HydrophobicContact CB-CB 3.53Å |
| 242 | W | 85.4 | Confident | 78.9 | Confident | 167 Ų | 167 | 63.5 Ų | 63.5 | 63% | 0.633 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -62.6 | -45.8 | 177.2 | -175.5 | -105.4 | 0 | 0 | 0 | 111.7 | Y238 S240 S244 L245 L246 | Y238-W242 VanDerWaalsContact O-CB 3.31Å; Y238-W242 WeakPolarHBondContact O-CB 3.42Å; Y238-W242 PolarHBondContact O-N 2.93Å; S240-W242 VanDerWaalsContact C-N 3.34Å; S240-W242 PolarHBondContact O-N 3Å; W242-S244 VanDerWaalsContact C-N 3.35Å; W242-S244 PolarHBondContact O-N 2.83Å; W242-L245 HydrophobicContact CZ3-CD2 4.47Å; W242-L245 PolarHBondContact O-N 3.13Å; W242-L246 WeakPolarHBondContact O-CG 3.44Å; W242-L246 PolarHBondContact O-N 3.3Å |
| 243 | K | 77.2 | Confident | 78.1 | Confident | 101 Ų | 101 | 57.3 Ų | 57.3 | 44% | 0.439 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.3 | -41.3 | 174 | -74.8 | -179.7 | 176.3 | -172.5 | 0 | 112 | G158 R239 S240 N247 | G158-K243 PolarHBondContact O-NZ 2.81Å; R239-K243 WeakPolarHBondContact O-CG 3.38Å; R239-K243 PolarHBondContact O-N 2.99Å; R239-K243 VanDerWaalsContact O-N 3.09Å; S240-K243 CarbonylContact O-C 3.52Å; S240-K243 WeakPolarHBondContact O-CB 3.48Å; S240-K243 PolarHBondContact O-N 3.06Å; K243-N247 WeakPolarHBondContact O-CB 3.41Å; K243-N247 PolarHBondContact O-N 3.39Å; K243-N247 PolarHBondContact O-ND2 3.13Å |
| 244 | S | 70.4 | Confident | 77.4 | Confident | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.014 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.9 | -46.3 | 177.6 | -73.7 | 0 | 0 | 0 | 0 | 111.3 | S240 A241 W242 L246 N247 G248 A249 T251 | S240-S244 WeakPolarHBondContact O-CB 3.39Å; S240-S244 PolarHBondContact O-N 2.89Å; S240-S244 PolarHBondContact O-OG 2.65Å; A241-S244 PolarHBondContact O-N 2.94Å; W242-S244 VanDerWaalsContact C-N 3.35Å; W242-S244 PolarHBondContact O-N 2.83Å; S244-L246 PolarHBondContact O-N 3.25Å; S244-N247 CarbonylContact O-C 3.56Å; S244-N247 PolarHBondContact O-N 3.1Å; S244-N247 VanDerWaalsContact O-N 3.08Å; S244-G248 PolarHBondContact O-N 3.49Å; S244-A249 CarbonylContact C-O 3.43Å; S244-A249 WeakPolarHBondContact CB-O 3.32Å; S244-A249 PolarHBondContact O-N 3.21Å; S244-T251 WeakPolarHBondContact OG-CG2 3.16Å; S244-T251 PolarHBondContact OG-OG1 2.78Å; S244-T251 VanDerWaalsContact OG-OG1 3.09Å |
| 245 | L | 79.1 | Confident | 76.7 | Confident | 115 Ų | 115 | 59.6 Ų | 59.6 | 60% | 0.602 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -59.9 | -47.2 | 178.5 | -177 | 66 | 0 | 0 | 0 | 112.2 | A241 W242 N247 G248 | A241-L245 WeakPolarHBondContact O-CB 3.24Å; A241-L245 PolarHBondContact O-N 3.09Å; W242-L245 HydrophobicContact CZ3-CD2 4.47Å; W242-L245 PolarHBondContact O-N 3.13Å; L245-N247 PolarHBondContact O-N 3.06Å; L245-G248 PolarHBondContact O-N 3.17Å; L245-G248 VanDerWaalsContact O-N 3.09Å |
| 246 | L | 79.7 | Confident | 76.2 | Confident | 117 Ų | 117 | 59.5 Ų | 59.5 | 61% | 0.613 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -59.7 | -26.8 | 176.8 | -73.1 | 173.7 | 0 | 0 | 0 | 113.1 | W242 S244 | W242-L246 WeakPolarHBondContact O-CG 3.44Å; W242-L246 PolarHBondContact O-N 3.3Å; S244-L246 PolarHBondContact O-N 3.25Å |
| 247 | N | 67.7 | Low | 76.3 | Confident | 101 Ų | 101 | 57.5 Ų | 57.5 | 54% | 0.54 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 12.3 | -179.2 | -67.6 | -48.1 | 0 | 0 | 0 | 113.1 | R116 K243 S244 L245 A249 | R116-N247 PolarHBondContact NH1-ND2 3.23Å; K243-N247 WeakPolarHBondContact O-CB 3.41Å; K243-N247 PolarHBondContact O-N 3.39Å; K243-N247 PolarHBondContact O-ND2 3.13Å; S244-N247 CarbonylContact O-C 3.56Å; S244-N247 PolarHBondContact O-N 3.1Å; S244-N247 VanDerWaalsContact O-N 3.08Å; L245-N247 PolarHBondContact O-N 3.06Å; N247-A249 PolarHBondContact O-N 3.36Å |
| 248 | G | 71.2 | Confident | 76.2 | Confident | 77 Ų | 77 | 62.2 Ų | 62.2 | 79% | 0.794 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 21 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | S244 L245 | S244-G248 PolarHBondContact O-N 3.49Å; L245-G248 PolarHBondContact O-N 3.17Å; L245-G248 VanDerWaalsContact O-N 3.09Å |
| 249 | A | 60.6 | Low | 75.7 | Confident | 39 Ų | 39 | 59.5 Ų | 59.5 | 32% | 0.322 | 33% | 0.325 | S | S | . | . | trans | -115 | 147.2 | 178 | 0 | 0 | 0 | 0 | 0 | 110.8 | S244 N247 | S244-A249 CarbonylContact C-O 3.43Å; S244-A249 WeakPolarHBondContact CB-O 3.32Å; S244-A249 PolarHBondContact O-N 3.21Å; N247-A249 PolarHBondContact O-N 3.36Å | ||
| 250 | A | 63.7 | Low | 75.7 | Confident | 58 Ų | 58 | 50.5 Ų | 50.5 | 48% | 0.479 | 29% | 0.291 | S | S | . | . | trans | -108.7 | 128.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | V441 | A250-V441 HydrophobicContact CB-CG1 4.21Š| ||
| 251 | T | 66.4 | Low | 76.3 | Confident | 19 Ų | 19 | 49.7 Ų | 49.7 | 12% | 0.117 | 29% | 0.287 | C | S | . | . | trans | -119 | 171.5 | 177.9 | 60.2 | 0 | 0 | 0 | 0 | 110.5 | S244 D253 T254 L255 | S244-T251 WeakPolarHBondContact OG-CG2 3.16Å; S244-T251 PolarHBondContact OG-OG1 2.78Å; S244-T251 VanDerWaalsContact OG-OG1 3.09Å; T251-D253 PolarHBondContact O-N 2.71Å; T251-T254 PolarHBondContact N-OG1 3Å; T251-T254 VanDerWaalsContact N-OG1 3.1Å; T251-T254 WeakPolarHBondContact O-CA 2.85Å; T251-T254 WeakPolarHBondContact O-CB 3.27Å; T251-T254 PolarHBondContact O-N 2.98Å; T251-T254 PolarHBondContact O-OG1 3.39Å; T251-T254 PolarHBondContact OG1-OG1 3.32Å; T251-L255 PolarHBondContact O-N 2.79Å | ||
| 252 | M | 68.5 | Low | 76.5 | Confident | 39 Ų | 39 | 52 Ų | 52 | 19% | 0.192 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -51.5 | -41.9 | 171.9 | -172.4 | -161.6 | 83.6 | 0 | 0 | 111.3 | F237 T254 L255 V256 I296 H300 C479 C481 | F237-M252 HydrophobicContact CD1-CE 4.48Å; F237-M252 HydrophobicContact CE1-CE 3.83Å; M252-T254 PolarHBondContact O-N 3.41Å; M252-L255 WeakPolarHBondContact O-CB 3.2Å; M252-L255 PolarHBondContact O-N 2.83Å; M252-V256 WeakPolarHBondContact O-CG2 3.37Å; M252-V256 PolarHBondContact O-N 3.3Å; M252-V256 VanDerWaalsContact O-N 3.08Å; M252-I296 HydrophobicContact CE-CG2 3.96Å; M252-H300 WeakPolarHBondContact CE-NE2 3.5Å; M252-C479 PolarHBondContact SD-SG 3.44Å; M252-C481 VanDerWaalsContact SD-SG 3.61Å |
| 253 | D | 76.2 | Confident | 76.4 | Confident | 12 Ų | 12 | 44.1 Ų | 44.1 | 6% | 0.064 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.8 | -34.6 | 179.5 | -58.9 | -23.8 | 0 | 0 | 0 | 111.6 | F237 S240 T251 V256 A257 | F237-D253 HydrophobicContact CD1-CB 4.28Å; F237-D253 VanDerWaalsContact CD1-OD1 3.29Å; F237-D253 WeakPolarHBondContact CD1-OD1 3.09Å; S240-D253 WeakPolarHBondContact CB-OD2 2.96Å; S240-D253 PolarHBondContact OG-OD2 3.19Å; T251-D253 PolarHBondContact O-N 2.71Å; D253-V256 PolarHBondContact O-N 2.84Å; D253-A257 WeakPolarHBondContact O-CB 3.33Å; D253-A257 PolarHBondContact O-N 2.83Å |
| 254 | T | 76.1 | Confident | 77 | Confident | 32 Ų | 32 | 40.8 Ų | 40.8 | 20% | 0.196 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.1 | -43.8 | 173.1 | -48.3 | 0 | 0 | 0 | 0 | 111.8 | T251 M252 L258 | T251-T254 PolarHBondContact N-OG1 3Å; T251-T254 VanDerWaalsContact N-OG1 3.1Å; T251-T254 WeakPolarHBondContact O-CA 2.85Å; T251-T254 WeakPolarHBondContact O-CB 3.27Å; T251-T254 PolarHBondContact O-N 2.98Å; T251-T254 PolarHBondContact O-OG1 3.39Å; T251-T254 PolarHBondContact OG1-OG1 3.32Å; M252-T254 PolarHBondContact O-N 3.41Å; T254-L258 VanDerWaalsContact O-CB 3.32Å; T254-L258 WeakPolarHBondContact O-CB 3.41Å; T254-L258 PolarHBondContact O-N 2.87Å |
| 255 | L | 74.3 | Confident | 78 | Confident | 16 Ų | 16 | 45.5 Ų | 45.5 | 8% | 0.084 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.2 | -44.4 | 179 | -61 | -178 | 0 | 0 | 0 | 111.7 | T251 M252 L258 G259 V445 L475 | T251-L255 PolarHBondContact O-N 2.79Å; M252-L255 WeakPolarHBondContact O-CB 3.2Å; M252-L255 PolarHBondContact O-N 2.83Å; L255-L258 PolarHBondContact O-N 3.2Å; L255-G259 PolarHBondContact O-N 3.29Å; L255-V445 HydrophobicContact CD2-CG2 3.71Å; L255-L475 HydrophobicContact CD2-CD1 4.47Å; L255-L475 HydrophobicContact CD2-CD2 3.73Å; L255-L475 HydrophobicContact CD2-CG 4.49Å |
| 256 | V | 78.7 | Confident | 78.3 | Confident | 11 Ų | 11 | 41.1 Ų | 41.1 | 7% | 0.067 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.2 | -47.9 | 178.8 | 179.8 | 0 | 0 | 0 | 0 | 110.6 | F237 M252 D253 L258 G259 T260 I292 I296 | F237-V256 HydrophobicContact CB-CG1 4.28Å; F237-V256 HydrophobicContact CD1-CB 4.2Å; F237-V256 HydrophobicContact CD1-CG1 4.12Å; F237-V256 HydrophobicContact CD1-CG2 4.44Å; F237-V256 HydrophobicContact CD2-CG1 3.95Å; F237-V256 HydrophobicContact CE1-CG1 4.44Å; F237-V256 HydrophobicContact CE2-CG1 4.31Å; F237-V256 HydrophobicContact CG-CB 4.3Å; F237-V256 HydrophobicContact CG-CG1 3.87Å; M252-V256 WeakPolarHBondContact O-CG2 3.37Å; M252-V256 PolarHBondContact O-N 3.3Å; M252-V256 VanDerWaalsContact O-N 3.08Å; D253-V256 PolarHBondContact O-N 2.84Å; V256-L258 VanDerWaalsContact C-N 3.33Å; V256-L258 PolarHBondContact O-N 2.98Å; V256-G259 PolarHBondContact O-N 2.9Å; V256-T260 HydrophobicContact CG1-CG2 4.18Å; V256-T260 WeakPolarHBondContact O-CB 3.46Å; V256-T260 WeakPolarHBondContact O-CG2 3.09Å; V256-T260 PolarHBondContact O-N 3.09Å; V256-T260 PolarHBondContact O-OG1 2.86Å; V256-I292 HydrophobicContact CG1-CG2 4.47Å; V256-I296 HydrophobicContact CB-CD1 4.3Å; V256-I296 HydrophobicContact CG1-CD1 3.95Å; V256-I296 HydrophobicContact CG2-CD1 3.33Å |
| 257 | A | 85.9 | Confident | 78.7 | Confident | 12 Ų | 12 | 35.6 Ų | 35.6 | 10% | 0.099 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.1 | -43.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y238 A241 D253 G261 | Y238-A257 HydrophobicContact CD1-CB 3.61Å; Y238-A257 HydrophobicContact CE1-CB 3.91Å; Y238-A257 WeakPolarHBondContact CE1-O 3.18Å; Y238-A257 HydrophobicContact CG-CB 4.32Å; A241-A257 HydrophobicContact CB-CB 3.53Å; D253-A257 WeakPolarHBondContact O-CB 3.33Å; D253-A257 PolarHBondContact O-N 2.83Å; A257-G261 WeakPolarHBondContact O-CA 3.13Å; A257-G261 PolarHBondContact O-N 3.1Å |
| 258 | L | 82.5 | Confident | 79.8 | Confident | 98 Ų | 98 | 31.7 Ų | 31.7 | 51% | 0.513 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66.1 | -53.9 | 176.8 | -172.1 | 71.4 | 0 | 0 | 0 | 111.3 | T254 L255 V256 T260 G261 V262 L475 | T254-L258 VanDerWaalsContact O-CB 3.32Å; T254-L258 WeakPolarHBondContact O-CB 3.41Å; T254-L258 PolarHBondContact O-N 2.87Å; L255-L258 PolarHBondContact O-N 3.2Å; V256-L258 VanDerWaalsContact C-N 3.33Å; V256-L258 PolarHBondContact O-N 2.98Å; L258-T260 PolarHBondContact O-N 2.8Å; L258-G261 PolarHBondContact O-N 3.06Å; L258-V262 HydrophobicContact CD1-CG2 4.04Å; L258-V262 HydrophobicContact CG-CG2 4.32Å; L258-V262 WeakPolarHBondContact O-CB 3.29Å; L258-V262 WeakPolarHBondContact O-CG2 3.45Å; L258-V262 PolarHBondContact O-N 3.37Å; L258-L475 HydrophobicContact CD2-CD1 4.14Å |
| 259 | G | 79.8 | Confident | 80.7 | Confident | 5 Ų | 5 | 30 Ų | 30 | 5% | 0.052 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.2 | -49.4 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L255 V256 A263 | L255-G259 PolarHBondContact O-N 3.29Å; V256-G259 PolarHBondContact O-N 2.9Å; G259-A263 VanDerWaalsContact O-CB 3.29Å; G259-A263 WeakPolarHBondContact O-CB 3.44Å; G259-A263 PolarHBondContact O-N 2.79Å |
| 260 | T | 86.9 | Confident | 81.9 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -71.2 | -36.9 | 179.2 | 59.5 | 0 | 0 | 0 | 0 | 112.1 | Y238 V256 L258 W264 S289 I292 I293 | Y238-T260 PolarHBondContact OH-OG1 2.82Å; V256-T260 HydrophobicContact CG1-CG2 4.18Å; V256-T260 WeakPolarHBondContact O-CB 3.46Å; V256-T260 WeakPolarHBondContact O-CG2 3.09Å; V256-T260 PolarHBondContact O-N 3.09Å; V256-T260 PolarHBondContact O-OG1 2.86Å; L258-T260 PolarHBondContact O-N 2.8Å; T260-W264 WeakPolarHBondContact O-CB 3.46Å; T260-W264 PolarHBondContact O-N 3.19Å; T260-S289 PolarHBondContact O-OG 3.47Å; T260-I292 HydrophobicContact CG2-CB 3.92Å; T260-I292 HydrophobicContact CG2-CD1 4.18Å; T260-I292 HydrophobicContact CG2-CG2 3.7Å; T260-I293 HydrophobicContact CG2-CD1 4.39Å; T260-I293 HydrophobicContact CG2-CG1 4Å |
| 261 | G | 89.9 | Confident | 83 | Confident | 12 Ų | 12 | 25.4 Ų | 25.4 | 12% | 0.124 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64 | -47.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A257 L258 W264 L265 | A257-G261 WeakPolarHBondContact O-CA 3.13Å; A257-G261 PolarHBondContact O-N 3.1Å; L258-G261 PolarHBondContact O-N 3.06Å; G261-W264 PolarHBondContact O-N 2.94Å; G261-L265 WeakPolarHBondContact O-CB 3.46Å; G261-L265 VanDerWaalsContact O-CG 3.28Å; G261-L265 WeakPolarHBondContact O-CG 3.39Å; G261-L265 PolarHBondContact O-N 3.35Å |
| 262 | V | 85.3 | Confident | 84.2 | Confident | 57 Ų | 57 | 27.7 Ų | 27.7 | 35% | 0.345 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -67.8 | -42.6 | 179.1 | -177.9 | 0 | 0 | 0 | 0 | 111 | L258 W264 L265 Y266 L468 | L258-V262 HydrophobicContact CD1-CG2 4.04Å; L258-V262 HydrophobicContact CG-CG2 4.32Å; L258-V262 WeakPolarHBondContact O-CB 3.29Å; L258-V262 WeakPolarHBondContact O-CG2 3.45Å; L258-V262 PolarHBondContact O-N 3.37Å; V262-W264 VanDerWaalsContact C-N 3.34Å; V262-W264 PolarHBondContact O-N 3.3Å; V262-L265 PolarHBondContact O-N 2.64Å; V262-Y266 VanDerWaalsContact O-CB 3.28Å; V262-Y266 WeakPolarHBondContact O-CB 3.3Å; V262-Y266 PolarHBondContact O-N 3.15Å; V262-L468 HydrophobicContact CB-CD1 4.19Å; V262-L468 HydrophobicContact CG1-CD1 3.26Å |
| 263 | A | 83.5 | Confident | 85.1 | Confident | 3 Ų | 3 | 31.1 Ų | 31.1 | 3% | 0.025 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59 | -44.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | G259 S267 S289 | G259-A263 VanDerWaalsContact O-CB 3.29Å; G259-A263 WeakPolarHBondContact O-CB 3.44Å; G259-A263 PolarHBondContact O-N 2.79Å; A263-S267 WeakPolarHBondContact O-CB 3.31Å; A263-S267 PolarHBondContact O-N 2.75Å; A263-S267 VanDerWaalsContact O-N 3.11Å; A263-S267 PolarHBondContact O-OG 2.77Å; A263-S289 WeakPolarHBondContact CB-OG 3.21Å |
| 264 | W | 91 | Very high | 85.4 | Confident | 31 Ų | 31 | 31.2 Ų | 31.2 | 12% | 0.117 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.8 | -45.6 | 176 | -176.9 | 88.7 | 0 | 0 | 0 | 112.6 | G223 L227 M230 T260 G261 V262 Y266 S267 M268 Y286 | G223-W264 PolarHBondContact O-NE1 2.78Å; L227-W264 HydrophobicContact CB-CZ2 3.62Å; L227-W264 HydrophobicContact CD1-CD2 4.44Å; L227-W264 HydrophobicContact CD1-CH2 3.93Å; L227-W264 HydrophobicContact CD1-CZ2 3.77Å; L227-W264 HydrophobicContact CD1-CZ3 4.31Å; L227-W264 HydrophobicContact CD2-CH2 3.94Å; L227-W264 HydrophobicContact CD2-CZ2 3.74Å; L227-W264 HydrophobicContact CG-CH2 4.35Å; L227-W264 HydrophobicContact CG-CZ2 3.9Å; M230-W264 HydrophobicContact CE-CB 3.61Å; M230-W264 HydrophobicContact CE-CD2 4.47Å; M230-W264 HydrophobicContact CE-CG 3.95Å; M230-W264 HydrophobicContact SD-CB 3.54Å; M230-W264 VanDerWaalsContact SD-CB 3.54Å; M230-W264 VanDerWaalsContact SD-CD1 3.53Å; M230-W264 HydrophobicContact SD-CD2 4.21Å; M230-W264 HydrophobicContact SD-CG 3.46Å; T260-W264 WeakPolarHBondContact O-CB 3.46Å; T260-W264 PolarHBondContact O-N 3.19Å; G261-W264 PolarHBondContact O-N 2.94Å; V262-W264 VanDerWaalsContact C-N 3.34Å; V262-W264 PolarHBondContact O-N 3.3Å; W264-Y266 PolarHBondContact O-N 3.45Å; W264-S267 PolarHBondContact O-N 3.04Å; W264-M268 HydrophobicContact CH2-CB 4.33Å; W264-M268 HydrophobicContact CH2-CE 3.91Å; W264-M268 HydrophobicContact CH2-CG 4.11Å; W264-M268 HydrophobicContact CZ2-CB 4.37Å; W264-M268 HydrophobicContact CZ2-CE 3.28Å; W264-M268 HydrophobicContact CZ2-CG 4.27Å; W264-M268 HydrophobicContact CZ3-CB 4.4Å; W264-M268 WeakPolarHBondContact O-CB 3.45Å; W264-M268 PolarHBondContact O-N 3.06Å; W264-Y286 AromaticContact CD1-CD1 3.73Å; W264-Y286 AromaticContact CD1-CE1 3.84Å; W264-Y286 HydrophobicContact CG-CE1 4.49Å; W264-Y286 AromaticContact NE1-CE1 3.95Å |
| 265 | L | 90.6 | Very high | 85.7 | Confident | 100 Ų | 100 | 35.3 Ų | 35.3 | 52% | 0.524 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.2 | -43.1 | 179.1 | -79.1 | 171.1 | 0 | 0 | 0 | 112 | G261 V262 M268 S269 | G261-L265 WeakPolarHBondContact O-CB 3.46Å; G261-L265 VanDerWaalsContact O-CG 3.28Å; G261-L265 WeakPolarHBondContact O-CG 3.39Å; G261-L265 PolarHBondContact O-N 3.35Å; V262-L265 PolarHBondContact O-N 2.64Å; L265-M268 PolarHBondContact O-N 3.38Å; L265-S269 WeakPolarHBondContact O-CB 3.36Å; L265-S269 PolarHBondContact O-N 2.86Å; L265-S269 PolarHBondContact O-OG 2.81Å |
| 266 | Y | 85.5 | Confident | 86.1 | Confident | 24 Ų | 24 | 43.5 Ų | 43.5 | 9% | 0.094 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.7 | -50.5 | 174.7 | 173 | -93.5 | 0 | 0 | 0 | 110.8 | V262 W264 M268 S269 V270 F277 A281 H283 Y285 V465 L468 | V262-Y266 VanDerWaalsContact O-CB 3.28Å; V262-Y266 WeakPolarHBondContact O-CB 3.3Å; V262-Y266 PolarHBondContact O-N 3.15Å; W264-Y266 PolarHBondContact O-N 3.45Å; Y266-M268 VanDerWaalsContact C-N 3.33Å; Y266-M268 PolarHBondContact O-N 3.27Å; Y266-S269 PolarHBondContact O-N 3.2Å; Y266-S269 VanDerWaalsContact O-N 3.16Å; Y266-V270 HydrophobicContact CD1-CG2 4.28Å; Y266-V270 HydrophobicContact CE1-CG2 3.84Å; Y266-V270 HydrophobicContact CE2-CG2 4.06Å; Y266-V270 WeakPolarHBondContact O-CG2 3.46Å; Y266-V270 PolarHBondContact O-N 3.47Å; Y266-F277 HydrophobicContact CE2-CE1 4.16Å; Y266-A281 PolarHBondContact OH-O 3.06Å; Y266-H283 WeakPolarHBondContact CE1-O 3.35Å; Y266-Y285 AromaticContact CD1-CD2 3.75Å; Y266-Y285 HydrophobicContact CD1-CD2 3.75Å; Y266-Y285 HydrophobicContact CD1-CE2 4.02Å; Y266-Y285 AromaticContact CE1-CD2 3.84Å; Y266-Y285 HydrophobicContact CE1-CD2 3.84Å; Y266-Y285 AromaticContact CE1-CE2 3.67Å; Y266-Y285 HydrophobicContact CE1-CE2 3.67Å; Y266-V465 VanDerWaalsContact OH-CG2 3.26Å; Y266-V465 WeakPolarHBondContact OH-CG2 3.43Å; Y266-L468 HydrophobicContact CD1-CD2 3.83Å; Y266-L468 HydrophobicContact CD2-CD2 3.85Å; Y266-L468 HydrophobicContact CE1-CD2 4.48Å; Y266-L468 HydrophobicContact CG-CD2 3.46Å; Y266-L468 VanDerWaalsContact CG-CD2 3.46Å |
| 267 | S | 87.9 | Confident | 86.1 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.2 | -41.2 | -179.7 | -55.8 | 0 | 0 | 0 | 0 | 112.2 | A263 W264 N271 L284 Y285 Y286 | A263-S267 WeakPolarHBondContact O-CB 3.31Å; A263-S267 PolarHBondContact O-N 2.75Å; A263-S267 VanDerWaalsContact O-N 3.11Å; A263-S267 PolarHBondContact O-OG 2.77Å; W264-S267 PolarHBondContact O-N 3.04Å; S267-N271 WeakPolarHBondContact O-CB 3.3Å; S267-N271 PolarHBondContact O-N 2.91Å; S267-L284 WeakPolarHBondContact O-CD2 3.44Å; S267-Y285 WeakPolarHBondContact OG-CA 3.36Å; S267-Y285 PolarHBondContact OG-N 2.96Å; S267-Y286 VanDerWaalsContact C-OH 3.23Å; S267-Y286 PolarHBondContact O-OH 3.28Å; S267-Y286 VanDerWaalsContact O-OH 3.13Å |
| 268 | M | 91.4 | Very high | 85.5 | Confident | 20 Ų | 20 | 48 Ų | 48 | 10% | 0.099 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.4 | -39.2 | 176.6 | -171.6 | 61.1 | 85.8 | 0 | 0 | 111.6 | L220 L224 W264 L265 Y266 N271 L272 Y286 | L220-M268 HydrophobicContact CD2-SD 4Å; L224-M268 HydrophobicContact CD2-CE 4.47Å; W264-M268 HydrophobicContact CH2-CB 4.33Å; W264-M268 HydrophobicContact CH2-CE 3.91Å; W264-M268 HydrophobicContact CH2-CG 4.11Å; W264-M268 HydrophobicContact CZ2-CB 4.37Å; W264-M268 HydrophobicContact CZ2-CE 3.28Å; W264-M268 HydrophobicContact CZ2-CG 4.27Å; W264-M268 HydrophobicContact CZ3-CB 4.4Å; W264-M268 WeakPolarHBondContact O-CB 3.45Å; W264-M268 PolarHBondContact O-N 3.06Å; L265-M268 PolarHBondContact O-N 3.38Å; Y266-M268 VanDerWaalsContact C-N 3.33Å; Y266-M268 PolarHBondContact O-N 3.27Å; M268-N271 PolarHBondContact O-N 3.2Å; M268-L272 HydrophobicContact CG-CD1 3.88Å; M268-L272 HydrophobicContact CG-CG 4.3Å; M268-L272 WeakPolarHBondContact O-CB 3.45Å; M268-L272 WeakPolarHBondContact O-CG 3.47Å; M268-L272 PolarHBondContact O-N 3.46Å; M268-L272 HydrophobicContact SD-CD1 4.24Å; M268-L272 HydrophobicContact SD-CG 4.18Å; M268-Y286 WeakPolarHBondContact CA-OH 3.47Å; M268-Y286 PolarHBondContact N-OH 2.89Å |
| 269 | S | 89.2 | Confident | 85 | Confident | 41 Ų | 41 | 49.5 Ų | 49.5 | 29% | 0.287 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.2 | -44.4 | 176.9 | -58 | 0 | 0 | 0 | 0 | 112 | L265 Y266 N271 L272 W273 | L265-S269 WeakPolarHBondContact O-CB 3.36Å; L265-S269 PolarHBondContact O-N 2.86Å; L265-S269 PolarHBondContact O-OG 2.81Å; Y266-S269 PolarHBondContact O-N 3.2Å; Y266-S269 VanDerWaalsContact O-N 3.16Å; S269-N271 VanDerWaalsContact C-N 3.25Å; S269-N271 PolarHBondContact O-N 2.8Å; S269-L272 PolarHBondContact O-N 2.93Å; S269-W273 PolarHBondContact O-N 3.44Å |
| 270 | V | 85.8 | Confident | 84.5 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.8 | -38.8 | 173.9 | 168.4 | 0 | 0 | 0 | 0 | 111.3 | V211 Y266 P274 F277 R282 L284 | V211-V270 HydrophobicContact CG2-CG1 4.12Å; Y266-V270 HydrophobicContact CD1-CG2 4.28Å; Y266-V270 HydrophobicContact CE1-CG2 3.84Å; Y266-V270 HydrophobicContact CE2-CG2 4.06Å; Y266-V270 WeakPolarHBondContact O-CG2 3.46Å; Y266-V270 PolarHBondContact O-N 3.47Å; V270-P274 WeakPolarHBondContact O-CA 3.45Å; V270-P274 WeakPolarHBondContact O-CB 3.21Å; V270-P274 WeakPolarHBondContact O-CD 3.32Å; V270-P274 VanDerWaalsContact O-N 3.12Å; V270-F277 HydrophobicContact CB-CD2 4.37Å; V270-F277 HydrophobicContact CG2-CD1 3.95Å; V270-F277 HydrophobicContact CG2-CD2 3.96Å; V270-F277 HydrophobicContact CG2-CE1 4.02Å; V270-F277 HydrophobicContact CG2-CE2 4.03Å; V270-F277 HydrophobicContact CG2-CG 3.92Å; V270-F277 HydrophobicContact CG2-CZ 4.06Å; V270-R282 HydrophobicContact CG1-CB 4.06Å; V270-R282 HydrophobicContact CG1-CG 4.25Å; V270-L284 HydrophobicContact CB-CD2 4.21Å; V270-L284 HydrophobicContact CG1-CD2 4.04Å |
| 271 | N | 87.7 | Confident | 83.7 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -77.7 | -35.6 | -178.3 | -162.1 | -5.5 | 0 | 0 | 0 | 113.5 | V211 R216 W219 L220 S267 M268 S269 L284 | V211-N271 HydrophobicContact CG2-CB 4.33Å; R216-N271 VanDerWaalsContact CG-OD1 3.24Å; R216-N271 WeakPolarHBondContact CG-OD1 3.48Å; R216-N271 PolarHBondContact NE-O 3.45Å; R216-N271 PolarHBondContact NH2-O 3.34Å; R216-N271 PolarHBondContact O-OD1 2.93Å; W219-N271 WeakPolarHBondContact CB-ND2 3.32Å; W219-N271 PolarHBondContact O-ND2 3.13Å; L220-N271 WeakPolarHBondContact CA-ND2 3.46Å; L220-N271 HydrophobicContact CD2-CB 4.16Å; L220-N271 PolarHBondContact N-ND2 2.96Å; S267-N271 WeakPolarHBondContact O-CB 3.3Å; S267-N271 PolarHBondContact O-N 2.91Å; M268-N271 PolarHBondContact O-N 3.2Å; S269-N271 VanDerWaalsContact C-N 3.25Å; S269-N271 PolarHBondContact O-N 2.8Å; N271-L284 HydrophobicContact CB-CD2 4.43Å |
| 272 | L | 90.8 | Very high | 83.1 | Confident | 67 Ų | 67 | 58 Ų | 58 | 35% | 0.351 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -76.2 | -33.9 | 176.6 | -71.3 | 174.5 | 0 | 0 | 0 | 112.8 | R216 L220 M268 S269 | R216-L272 PolarHBondContact NH2-O 3.43Å; L220-L272 HydrophobicContact CD2-CD2 3.9Å; L220-L272 HydrophobicContact CD2-CG 4.39Å; M268-L272 HydrophobicContact CG-CD1 3.88Å; M268-L272 HydrophobicContact CG-CG 4.3Å; M268-L272 WeakPolarHBondContact O-CB 3.45Å; M268-L272 WeakPolarHBondContact O-CG 3.47Å; M268-L272 PolarHBondContact O-N 3.46Å; M268-L272 HydrophobicContact SD-CD1 4.24Å; M268-L272 HydrophobicContact SD-CG 4.18Å; S269-L272 PolarHBondContact O-N 2.93Å |
| 273 | W | 88 | Confident | 82.6 | Confident | 111 Ų | 111 | 58.3 Ų | 58.3 | 42% | 0.42 | 27% | 0.274 | S | S | . | . | trans | -133.2 | 60.5 | -179.2 | -55.6 | -77.5 | 0 | 0 | 0 | 112.6 | S269 Q275 W276 F277 | S269-W273 PolarHBondContact O-N 3.44Å; W273-Q275 PolarHBondContact O-N 2.88Å; W273-W276 HydrophobicContact CB-CD2 3.99Å; W273-W276 HydrophobicContact CB-CE3 4.09Å; W273-W276 HydrophobicContact CB-CG 4.19Å; W273-W276 HydrophobicContact CG-CD2 4.43Å; W273-W276 HydrophobicContact CG-CE3 4.33Å; W273-W276 HydrophobicContact CG-CZ3 4.47Å; W273-W276 PolarHBondContact O-N 3.27Å; W273-F277 WeakPolarHBondContact O-CD2 3.33Å | ||
| 274 | P | 83.3 | Confident | 82.6 | Confident | 15 Ų | 15 | 58.1 Ų | 58.1 | 10% | 0.097 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -59.1 | -26.7 | -176.6 | 23.7 | -34.1 | 0 | 0 | 0 | 113 | V211 V270 W276 F277 R282 | V211-P274 HydrophobicContact CG1-CB 4.32Å; V270-P274 WeakPolarHBondContact O-CA 3.45Å; V270-P274 WeakPolarHBondContact O-CB 3.21Å; V270-P274 WeakPolarHBondContact O-CD 3.32Å; V270-P274 VanDerWaalsContact O-N 3.12Å; P274-W276 PolarHBondContact O-N 2.92Å; P274-F277 PolarHBondContact O-N 2.75Å; P274-R282 VanDerWaalsContact O-CZ 3.23Å; P274-R282 PolarHBondContact O-NE 3.04Å; P274-R282 PolarHBondContact O-NH2 3.28Å |
| 275 | Q | 82.7 | Confident | 82.2 | Confident | 117 Ų | 117 | 58.1 Ų | 58.1 | 55% | 0.547 | 27% | 0.273 | S | S | . | . | G | 310 helix | trans | -64.1 | -20.8 | 177 | 65.7 | -80.5 | 2.5 | 0 | 0 | 114.5 | W273 F277 | W273-Q275 PolarHBondContact O-N 2.88Å; Q275-F277 VanDerWaalsContact C-N 3.33Å |
| 276 | W | 82.8 | Confident | 82 | Confident | 189 Ų | 189 | 53.3 Ų | 53.3 | 72% | 0.716 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -85.5 | -10.5 | 177.6 | -66.1 | -4.8 | 0 | 0 | 0 | 113 | W273 P274 | W273-W276 HydrophobicContact CB-CD2 3.99Å; W273-W276 HydrophobicContact CB-CE3 4.09Å; W273-W276 HydrophobicContact CB-CG 4.19Å; W273-W276 HydrophobicContact CG-CD2 4.43Å; W273-W276 HydrophobicContact CG-CE3 4.33Å; W273-W276 HydrophobicContact CG-CZ3 4.47Å; W273-W276 PolarHBondContact O-N 3.27Å; P274-W276 PolarHBondContact O-N 2.92Å |
| 277 | F | 76.9 | Confident | 82 | Confident | 40 Ų | 40 | 53.1 Ų | 53.1 | 18% | 0.175 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -113.2 | 131.2 | -178.4 | -62.3 | -88.4 | 0 | 0 | 0 | 110.1 | Y266 V270 W273 P274 Q275 A281 R282 | Y266-F277 HydrophobicContact CE2-CE1 4.16Å; V270-F277 HydrophobicContact CB-CD2 4.37Å; V270-F277 HydrophobicContact CG2-CD1 3.95Å; V270-F277 HydrophobicContact CG2-CD2 3.96Å; V270-F277 HydrophobicContact CG2-CE1 4.02Å; V270-F277 HydrophobicContact CG2-CE2 4.03Å; V270-F277 HydrophobicContact CG2-CG 3.92Å; V270-F277 HydrophobicContact CG2-CZ 4.06Å; W273-F277 WeakPolarHBondContact O-CD2 3.33Å; P274-F277 PolarHBondContact O-N 2.75Å; Q275-F277 VanDerWaalsContact C-N 3.33Å; F277-A281 HydrophobicContact CB-CB 4.37Å; F277-R282 HydrophobicContact CB-CG 4.19Å; F277-R282 PolarHBondContact O-NE 3.27Å; F277-R282 VanDerWaalsContact O-NE 3.11Å; F277-R282 PolarHBondContact O-NH2 2.67Å |
| 278 | P | 75 | Confident | 81.7 | Confident | 76 Ų | 76 | 53.2 Ų | 53.2 | 49% | 0.494 | 25% | 0.249 | S | C | . | . | trans | -58.6 | 153.7 | 170.5 | 25 | -32.1 | 0 | 0 | 0 | 109.7 | E280 A281 R282 | P278-E280 PolarHBondContact O-N 3.11Å; P278-E280 VanDerWaalsContact O-N 3.11Å; P278-A281 HydrophobicContact CG-CB 3.78Å; P278-A281 CarbonylContact O-C 3.49Å; P278-A281 WeakPolarHBondContact O-CA 3.34Å; P278-A281 PolarHBondContact O-N 3.46Å; P278-R282 PolarHBondContact O-N 3.24Å | ||
| 279 | M | 71.9 | Confident | 81.6 | Confident | 131 Ų | 131 | 52.3 Ų | 52.3 | 65% | 0.645 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -53.9 | -37.8 | -175.2 | -72.9 | -170.9 | 67.4 | 0 | 0 | 112.6 | M210 A281 R282 | M210-M279 VanDerWaalsContact SD-O 3.41Å; M279-A281 PolarHBondContact O-N 2.85Å; M279-R282 PolarHBondContact O-N 3.31Å; M279-R282 VanDerWaalsContact O-N 3.16Å |
| 280 | E | 68.1 | Low | 81.6 | Confident | 137 Ų | 137 | 50.3 Ų | 50.3 | 64% | 0.64 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -62.8 | -25.5 | 176.6 | -63.2 | 163.5 | -173.3 | 0 | 0 | 113.5 | P278 P462 | P278-E280 PolarHBondContact O-N 3.11Å; P278-E280 VanDerWaalsContact O-N 3.11Å; E280-P462 HydrophobicContact CB-CG 4.22Å |
| 281 | A | 70.1 | Confident | 81.7 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.008 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -99.5 | 16 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | Y266 F277 P278 M279 H283 P462 V465 | Y266-A281 PolarHBondContact OH-O 3.06Å; F277-A281 HydrophobicContact CB-CB 4.37Å; P278-A281 HydrophobicContact CG-CB 3.78Å; P278-A281 CarbonylContact O-C 3.49Å; P278-A281 WeakPolarHBondContact O-CA 3.34Å; P278-A281 PolarHBondContact O-N 3.46Å; M279-A281 PolarHBondContact O-N 2.85Å; A281-H283 VanDerWaalsContact C-N 3.34Å; A281-P462 HydrophobicContact CB-CB 3.9Å; A281-P462 HydrophobicContact CB-CG 3.87Å; A281-V465 HydrophobicContact CB-CG2 3.76Å |
| 282 | R | 77.5 | Confident | 81.5 | Confident | 58 Ų | 58 | 51 Ų | 51 | 22% | 0.219 | 23% | 0.234 | C | C | . | . | trans | -92.7 | 11.8 | 178 | -66.7 | -174.9 | -172.2 | 168.6 | 3.3 | 114.3 | M210 V211 V270 P274 F277 P278 M279 | M210-R282 VanDerWaalsContact CA-O 3.32Å; M210-R282 WeakPolarHBondContact CA-O 3.47Å; V211-R282 PolarHBondContact N-O 3.06Å; V270-R282 HydrophobicContact CG1-CB 4.06Å; V270-R282 HydrophobicContact CG1-CG 4.25Å; P274-R282 VanDerWaalsContact O-CZ 3.23Å; P274-R282 PolarHBondContact O-NE 3.04Å; P274-R282 PolarHBondContact O-NH2 3.28Å; F277-R282 HydrophobicContact CB-CG 4.19Å; F277-R282 PolarHBondContact O-NE 3.27Å; F277-R282 VanDerWaalsContact O-NE 3.11Å; F277-R282 PolarHBondContact O-NH2 2.67Å; P278-R282 PolarHBondContact O-N 3.24Å; M279-R282 PolarHBondContact O-N 3.31Å; M279-R282 VanDerWaalsContact O-N 3.16Å | ||
| 283 | H | 75.6 | Confident | 81.4 | Confident | 63 Ų | 63 | 47.9 Ų | 47.9 | 29% | 0.292 | 22% | 0.217 | S | C | . | . | B | Isolated β-bridge | trans | -70.7 | 132.5 | 177.5 | -168.8 | -73.6 | 0 | 0 | 0 | 111.2 | M209 Y266 A281 Y285 | M209-H283 CarbonylContact O-C 3.4Å; M209-H283 WeakPolarHBondContact O-CA 3.34Å; Y266-H283 WeakPolarHBondContact CE1-O 3.35Å; A281-H283 VanDerWaalsContact C-N 3.34Å; H283-Y285 AromaticContact ND1-CE1 3.7Å; H283-Y285 AromaticContact ND1-CZ 3.69Å |
| 284 | L | 83.2 | Confident | 81.4 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -97.2 | 150.9 | 179.6 | -59.4 | 172.5 | 0 | 0 | 0 | 111.5 | M209 V211 W219 S267 V270 N271 Y286 | M209-L284 HydrophobicContact CE-CB 4.41Å; M209-L284 PolarHBondContact O-N 3.37Å; V211-L284 HydrophobicContact CG2-CD1 3.6Å; V211-L284 HydrophobicContact CG2-CD2 3.74Å; V211-L284 HydrophobicContact CG2-CG 3.79Å; W219-L284 HydrophobicContact CB-CD1 3.69Å; W219-L284 HydrophobicContact CD2-CD1 3.28Å; W219-L284 HydrophobicContact CE3-CD1 3.56Å; W219-L284 HydrophobicContact CG-CD1 3.33Å; W219-L284 HydrophobicContact CZ3-CD1 4.36Å; S267-L284 WeakPolarHBondContact O-CD2 3.44Å; V270-L284 HydrophobicContact CB-CD2 4.21Å; V270-L284 HydrophobicContact CG1-CD2 4.04Å; N271-L284 HydrophobicContact CB-CD2 4.43Å; L284-Y286 HydrophobicContact CB-CD2 4.13Å; L284-Y286 HydrophobicContact CB-CE2 4.34Å; L284-Y286 HydrophobicContact CD1-CD2 4.1Å; L284-Y286 HydrophobicContact CD1-CE2 3.8Å; L284-Y286 HydrophobicContact CD2-CE2 4.08Å; L284-Y286 HydrophobicContact CG-CE2 4.31Å | ||
| 285 | Y | 81.3 | Confident | 81.5 | Confident | 30 Ų | 30 | 42.8 Ų | 42.8 | 12% | 0.118 | 20% | 0.197 | C | C | . | . | trans | -126.8 | 31.6 | -177.9 | -61.2 | -79.3 | 0 | 0 | 0 | 111.9 | Y266 S267 H283 E287 A288 S289 V465 V469 | Y266-Y285 AromaticContact CD1-CD2 3.75Å; Y266-Y285 HydrophobicContact CD1-CD2 3.75Å; Y266-Y285 HydrophobicContact CD1-CE2 4.02Å; Y266-Y285 AromaticContact CE1-CD2 3.84Å; Y266-Y285 HydrophobicContact CE1-CD2 3.84Å; Y266-Y285 AromaticContact CE1-CE2 3.67Å; Y266-Y285 HydrophobicContact CE1-CE2 3.67Å; S267-Y285 WeakPolarHBondContact OG-CA 3.36Å; S267-Y285 PolarHBondContact OG-N 2.96Å; H283-Y285 AromaticContact ND1-CE1 3.7Å; H283-Y285 AromaticContact ND1-CZ 3.69Å; Y285-E287 VanDerWaalsContact C-N 3.33Å; Y285-E287 WeakPolarHBondContact CA-OE2 3.49Å; Y285-A288 PolarHBondContact O-N 2.89Å; Y285-S289 PolarHBondContact O-N 3.38Å; Y285-S289 PolarHBondContact O-OG 2.98Å; Y285-V465 HydrophobicContact CE2-CG1 4.4Å; Y285-V465 WeakPolarHBondContact OH-CG1 3.27Å; Y285-V469 HydrophobicContact CE1-CG2 3.88Å; Y285-V469 VanDerWaalsContact OH-CG2 3.29Å; Y285-V469 WeakPolarHBondContact OH-CG2 3.34Å | ||
| 286 | Y | 87.5 | Confident | 81.3 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.1 | -40 | 177.7 | -68.2 | -47.8 | 0 | 0 | 0 | 111.6 | W219 I222 T226 W264 S267 M268 L284 A288 S289 A290 | W219-Y286 HydrophobicContact CE3-CD2 4.14Å; W219-Y286 WeakPolarHBondContact O-CE2 3.46Å; I222-Y286 HydrophobicContact CG2-CD2 4.09Å; I222-Y286 HydrophobicContact CG2-CG 4.4Å; T226-Y286 HydrophobicContact CG2-CD1 4.48Å; T226-Y286 WeakPolarHBondContact CG2-O 3.37Å; W264-Y286 AromaticContact CD1-CD1 3.73Å; W264-Y286 AromaticContact CD1-CE1 3.84Å; W264-Y286 HydrophobicContact CG-CE1 4.49Å; W264-Y286 AromaticContact NE1-CE1 3.95Å; S267-Y286 VanDerWaalsContact C-OH 3.23Å; S267-Y286 PolarHBondContact O-OH 3.28Å; S267-Y286 VanDerWaalsContact O-OH 3.13Å; M268-Y286 WeakPolarHBondContact CA-OH 3.47Å; M268-Y286 PolarHBondContact N-OH 2.89Å; L284-Y286 HydrophobicContact CB-CD2 4.13Å; L284-Y286 HydrophobicContact CB-CE2 4.34Å; L284-Y286 HydrophobicContact CD1-CD2 4.1Å; L284-Y286 HydrophobicContact CD1-CE2 3.8Å; L284-Y286 HydrophobicContact CD2-CE2 4.08Å; L284-Y286 HydrophobicContact CG-CE2 4.31Å; Y286-A288 VanDerWaalsContact C-N 3.34Å; Y286-S289 PolarHBondContact O-N 3.43Å; Y286-A290 PolarHBondContact O-N 2.9Å |
| 287 | E | 85.8 | Confident | 81.5 | Confident | 19 Ų | 19 | 28.6 Ų | 28.6 | 9% | 0.089 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.6 | -42.1 | 174.4 | 76.3 | -59.7 | 156.3 | 0 | 0 | 111.7 | V199 M200 M209 Y285 S289 A290 M291 | V199-E287 HydrophobicContact CB-CB 3.89Å; V199-E287 HydrophobicContact CG1-CB 3.69Å; M200-E287 HydrophobicContact CB-CB 4.36Å; M200-E287 HydrophobicContact CB-CG 4.39Å; M209-E287 HydrophobicContact CE-CG 4.5Å; M209-E287 WeakPolarHBondContact CE-OE2 3.31Å; Y285-E287 VanDerWaalsContact C-N 3.33Å; Y285-E287 WeakPolarHBondContact CA-OE2 3.49Å; E287-S289 VanDerWaalsContact C-N 3.34Å; E287-S289 PolarHBondContact O-N 3.19Å; E287-A290 PolarHBondContact O-N 3.43Å; E287-M291 WeakPolarHBondContact O-CB 3.12Å; E287-M291 VanDerWaalsContact O-CG 3.22Å; E287-M291 WeakPolarHBondContact O-CG 3.34Å; E287-M291 PolarHBondContact O-N 3.03Å |
| 288 | A | 81.5 | Confident | 81.8 | Confident | 3 Ų | 3 | 29.2 Ų | 29.2 | 3% | 0.025 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.2 | -47.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y285 Y286 A290 M291 I292 | Y285-A288 PolarHBondContact O-N 2.89Å; Y286-A288 VanDerWaalsContact C-N 3.34Å; A288-A290 PolarHBondContact O-N 3.37Å; A288-M291 PolarHBondContact O-N 3.31Å; A288-I292 HydrophobicContact CB-CD1 4.45Å; A288-I292 WeakPolarHBondContact O-CB 3.49Å; A288-I292 WeakPolarHBondContact O-CD1 3.37Å; A288-I292 WeakPolarHBondContact O-CG1 3.47Å; A288-I292 PolarHBondContact O-N 3.4Å |
| 289 | S | 88 | Confident | 81.8 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.4 | -47.7 | 179.3 | -56.9 | 0 | 0 | 0 | 0 | 112.2 | T260 A263 Y285 Y286 E287 I293 | T260-S289 PolarHBondContact O-OG 3.47Å; A263-S289 WeakPolarHBondContact CB-OG 3.21Å; Y285-S289 PolarHBondContact O-N 3.38Å; Y285-S289 PolarHBondContact O-OG 2.98Å; Y286-S289 PolarHBondContact O-N 3.43Å; E287-S289 VanDerWaalsContact C-N 3.34Å; E287-S289 PolarHBondContact O-N 3.19Å; S289-I293 WeakPolarHBondContact O-CG1 3.41Å; S289-I293 PolarHBondContact O-N 3.2Å |
| 290 | A | 90.4 | Very high | 82 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -66.8 | -43.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A192 V195 V229 Y286 E287 A288 I293 G294 | A192-A290 WeakPolarHBondContact CB-O 3.28Å; V195-A290 HydrophobicContact CG1-CB 4.4Å; V229-A290 HydrophobicContact CG1-CB 4.48Å; Y286-A290 PolarHBondContact O-N 2.9Å; E287-A290 PolarHBondContact O-N 3.43Å; A288-A290 PolarHBondContact O-N 3.37Å; A290-I293 PolarHBondContact O-N 3.09Å; A290-G294 PolarHBondContact O-N 2.85Å |
| 291 | M | 87.2 | Confident | 82.7 | Confident | 10 Ų | 10 | 15.8 Ų | 15.8 | 5% | 0.049 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -63 | -45.6 | 178.5 | -78.8 | -57.8 | -40.3 | 0 | 0 | 112.1 | L193 G196 I197 E287 A288 G294 L295 V807 | L193-M291 HydrophobicContact CD2-CE 3.29Å; L193-M291 HydrophobicContact CD2-SD 3.82Å; G196-M291 VanDerWaalsContact C-SD 3.56Å; I197-M291 HydrophobicContact CG1-SD 3.81Å; E287-M291 WeakPolarHBondContact O-CB 3.12Å; E287-M291 VanDerWaalsContact O-CG 3.22Å; E287-M291 WeakPolarHBondContact O-CG 3.34Å; E287-M291 PolarHBondContact O-N 3.03Å; A288-M291 PolarHBondContact O-N 3.31Å; M291-G294 PolarHBondContact O-N 2.84Å; M291-L295 HydrophobicContact CE-CD1 3.68Å; M291-L295 HydrophobicContact CE-CD2 4.18Å; M291-L295 HydrophobicContact CE-CG 3.78Å; M291-L295 WeakPolarHBondContact O-CB 3.37Å; M291-L295 VanDerWaalsContact O-CG 3.27Å; M291-L295 WeakPolarHBondContact O-CG 3.5Å; M291-L295 PolarHBondContact O-N 2.88Å; M291-V807 HydrophobicContact CB-CG1 4.35Å; M291-V807 HydrophobicContact CB-CG2 4.34Å; M291-V807 HydrophobicContact CE-CG1 4.41Å; M291-V807 HydrophobicContact CG-CG1 4.29Å; M291-V807 HydrophobicContact CG-CG2 4.46Å |
| 292 | I | 83.6 | Confident | 82.8 | Confident | 4 Ų | 4 | 17.9 Ų | 17.9 | 2% | 0.021 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -59.5 | -51.1 | 178.8 | -68 | 157.5 | 0 | 0 | 0 | 110 | V256 T260 A288 G294 L295 I296 I476 | V256-I292 HydrophobicContact CG1-CG2 4.47Å; T260-I292 HydrophobicContact CG2-CB 3.92Å; T260-I292 HydrophobicContact CG2-CD1 4.18Å; T260-I292 HydrophobicContact CG2-CG2 3.7Å; A288-I292 HydrophobicContact CB-CD1 4.45Å; A288-I292 WeakPolarHBondContact O-CB 3.49Å; A288-I292 WeakPolarHBondContact O-CD1 3.37Å; A288-I292 WeakPolarHBondContact O-CG1 3.47Å; A288-I292 PolarHBondContact O-N 3.4Å; I292-G294 VanDerWaalsContact C-N 3.27Å; I292-G294 PolarHBondContact O-N 2.86Å; I292-L295 PolarHBondContact O-N 2.64Å; I292-I296 HydrophobicContact CG2-CD1 3.62Å; I292-I296 HydrophobicContact CG2-CG1 4.38Å; I292-I296 WeakPolarHBondContact O-CB 3.41Å; I292-I296 VanDerWaalsContact O-CG1 3.25Å; I292-I296 WeakPolarHBondContact O-CG1 3.41Å; I292-I296 PolarHBondContact O-N 3.3Å; I292-I476 HydrophobicContact CD1-CD1 3.27Å; I292-I476 HydrophobicContact CD1-CG1 4.13Å; I292-I476 HydrophobicContact CG1-CD1 3.8Å; I292-I476 HydrophobicContact CG1-CG1 4.41Å |
| 293 | I | 88.3 | Confident | 82.5 | Confident | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -59 | -42.9 | 177.9 | -68.4 | 171.7 | 0 | 0 | 0 | 110.6 | A192 M230 A233 F237 T260 S289 A290 N297 | A192-I293 HydrophobicContact CB-CB 4.4Å; A192-I293 HydrophobicContact CB-CG2 4.06Å; M230-I293 HydrophobicContact CB-CD1 4.21Å; M230-I293 HydrophobicContact CG-CD1 3.66Å; A233-I293 HydrophobicContact CB-CG2 4.02Å; F237-I293 HydrophobicContact CE2-CG2 4.44Å; T260-I293 HydrophobicContact CG2-CD1 4.39Å; T260-I293 HydrophobicContact CG2-CG1 4Å; S289-I293 WeakPolarHBondContact O-CG1 3.41Å; S289-I293 PolarHBondContact O-N 3.2Å; A290-I293 PolarHBondContact O-N 3.09Å; I293-N297 WeakPolarHBondContact CG2-ND2 3.43Å; I293-N297 VanDerWaalsContact O-CB 3.26Å; I293-N297 WeakPolarHBondContact O-CB 3.38Å; I293-N297 VanDerWaalsContact O-CG 3.3Å; I293-N297 PolarHBondContact O-N 2.78Å; I293-N297 PolarHBondContact O-ND2 2.63Å |
| 294 | G | 88.9 | Confident | 82.4 | Confident | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -63.2 | -47.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | A189 A290 M291 I292 L298 | A189-G294 WeakPolarHBondContact CB-O 3.27Å; A290-G294 PolarHBondContact O-N 2.85Å; M291-G294 PolarHBondContact O-N 2.84Å; I292-G294 VanDerWaalsContact C-N 3.27Å; I292-G294 PolarHBondContact O-N 2.86Å; G294-L298 WeakPolarHBondContact O-CB 3.37Å; G294-L298 PolarHBondContact O-N 2.64Å |
| 295 | L | 84.5 | Confident | 82 | Confident | 19 Ų | 19 | 22.4 Ų | 22.4 | 10% | 0.099 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -70.7 | -38.2 | -178.8 | -68.8 | 170.6 | 0 | 0 | 0 | 112.4 | L193 M291 I292 L298 G299 A811 | L193-L295 HydrophobicContact CD2-CD2 4.21Å; L193-L295 HydrophobicContact CD2-CG 4.17Å; M291-L295 HydrophobicContact CE-CD1 3.68Å; M291-L295 HydrophobicContact CE-CD2 4.18Å; M291-L295 HydrophobicContact CE-CG 3.78Å; M291-L295 WeakPolarHBondContact O-CB 3.37Å; M291-L295 VanDerWaalsContact O-CG 3.27Å; M291-L295 WeakPolarHBondContact O-CG 3.5Å; M291-L295 PolarHBondContact O-N 2.88Å; I292-L295 PolarHBondContact O-N 2.64Å; L295-L298 WeakPolarHBondContact O-CB 3.4Å; L295-L298 PolarHBondContact O-N 3.12Å; L295-G299 PolarHBondContact O-N 2.94Å; L295-A811 HydrophobicContact CD1-CB 4.4Å |
| 296 | I | 79.8 | Confident | 81.2 | Confident | 8 Ų | 8 | 21.7 Ų | 21.7 | 4% | 0.041 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -68.7 | -44.8 | 176.1 | -63.2 | 174.8 | 0 | 0 | 0 | 110.4 | F237 M252 V256 I292 L298 G299 H300 M813 | F237-I296 HydrophobicContact CE1-CG2 3.82Å; F237-I296 HydrophobicContact CZ-CB 4.13Å; F237-I296 HydrophobicContact CZ-CG2 3.5Å; F237-I296 VanDerWaalsContact CZ-CG2 3.5Å; M252-I296 HydrophobicContact CE-CG2 3.96Å; V256-I296 HydrophobicContact CB-CD1 4.3Å; V256-I296 HydrophobicContact CG1-CD1 3.95Å; V256-I296 HydrophobicContact CG2-CD1 3.33Å; I292-I296 HydrophobicContact CG2-CD1 3.62Å; I292-I296 HydrophobicContact CG2-CG1 4.38Å; I292-I296 WeakPolarHBondContact O-CB 3.41Å; I292-I296 VanDerWaalsContact O-CG1 3.25Å; I292-I296 WeakPolarHBondContact O-CG1 3.41Å; I292-I296 PolarHBondContact O-N 3.3Å; I296-L298 PolarHBondContact O-N 3.07Å; I296-G299 CarbonylContact O-C 3.58Å; I296-G299 WeakPolarHBondContact O-CA 3.32Å; I296-G299 PolarHBondContact O-N 3.22Å; I296-H300 PolarHBondContact O-N 2.87Å; I296-M813 HydrophobicContact CB-CE 4.47Å; I296-M813 HydrophobicContact CG1-CE 3.67Å; I296-M813 HydrophobicContact CG1-SD 4Å |
| 297 | N | 85.8 | Confident | 80.2 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.6 | -33.6 | 174.8 | -77.6 | -31.6 | 0 | 0 | 0 | 111.9 | Q188 A189 A233 H236 I293 H300 M301 | Q188-N297 HydrophobicContact CB-CB 4.46Å; A189-N297 HydrophobicContact CB-CB 3.99Å; A233-N297 PolarHBondContact O-ND2 2.96Å; H236-N297 PolarHBondContact NE2-OD1 2.82Å; I293-N297 WeakPolarHBondContact CG2-ND2 3.43Å; I293-N297 VanDerWaalsContact O-CB 3.26Å; I293-N297 WeakPolarHBondContact O-CB 3.38Å; I293-N297 VanDerWaalsContact O-CG 3.3Å; I293-N297 PolarHBondContact O-N 2.78Å; I293-N297 PolarHBondContact O-ND2 2.63Å; N297-H300 PolarHBondContact O-N 2.78Å; N297-M301 WeakPolarHBondContact O-CB 3.44Å; N297-M301 PolarHBondContact O-N 3.05Å |
| 298 | L | 83.3 | Confident | 79.6 | Confident | 54 Ų | 54 | 26.3 Ų | 26.3 | 28% | 0.283 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -63.4 | -43.5 | 171.2 | -179 | 65.2 | 0 | 0 | 0 | 111.1 | A189 G294 L295 I296 M301 L302 | A189-L298 HydrophobicContact CB-CB 4.12Å; G294-L298 WeakPolarHBondContact O-CB 3.37Å; G294-L298 PolarHBondContact O-N 2.64Å; L295-L298 WeakPolarHBondContact O-CB 3.4Å; L295-L298 PolarHBondContact O-N 3.12Å; I296-L298 PolarHBondContact O-N 3.07Å; L298-M301 HydrophobicContact CD1-CE 3.7Å; L298-M301 HydrophobicContact CD1-SD 4.33Å; L298-M301 WeakPolarHBondContact O-CB 3.47Å; L298-M301 PolarHBondContact O-N 2.95Å; L298-L302 HydrophobicContact CG-CD1 4.46Å; L298-L302 WeakPolarHBondContact O-CG 3.45Å; L298-L302 PolarHBondContact O-N 2.88Å |
| 299 | G | 74.8 | Confident | 78.9 | Confident | 8 Ų | 8 | 36 Ų | 36 | 8% | 0.082 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -55.4 | -51.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L295 I296 M301 L302 E303 | L295-G299 PolarHBondContact O-N 2.94Å; I296-G299 CarbonylContact O-C 3.58Å; I296-G299 WeakPolarHBondContact O-CA 3.32Å; I296-G299 PolarHBondContact O-N 3.22Å; G299-M301 VanDerWaalsContact C-N 3.3Å; G299-M301 PolarHBondContact O-N 3.22Å; G299-L302 PolarHBondContact O-N 3.47Å; G299-L302 VanDerWaalsContact O-N 3.15Å; G299-E303 PolarHBondContact O-N 2.95Å |
| 300 | H | 76.3 | Confident | 77.6 | Confident | 32 Ų | 32 | 37.3 Ų | 37.3 | 15% | 0.148 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.9 | -35.9 | 175.9 | -71.2 | 177.9 | 0 | 0 | 0 | 113.1 | F185 F237 M252 I296 N297 A304 | F185-H300 HydrophobicContact CD1-CB 4.25Å; F185-H300 HydrophobicContact CD2-CB 3.86Å; F185-H300 HydrophobicContact CE1-CB 4.38Å; F185-H300 HydrophobicContact CE2-CB 3.98Å; F185-H300 HydrophobicContact CG-CB 4.02Å; F185-H300 HydrophobicContact CZ-CB 4.25Å; F237-H300 AromaticContact CE1-CE1 3.78Å; M252-H300 WeakPolarHBondContact CE-NE2 3.5Å; I296-H300 PolarHBondContact O-N 2.87Å; N297-H300 PolarHBondContact O-N 2.78Å; H300-A304 WeakPolarHBondContact O-CB 3.42Å; H300-A304 PolarHBondContact O-N 3.27Å |
| 301 | M | 82.8 | Confident | 76.3 | Confident | 21 Ų | 21 | 39.8 Ų | 39.8 | 10% | 0.103 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66 | -44 | 174.6 | -178 | -143.6 | 68.1 | 0 | 0 | 111.2 | M182 F185 R186 N297 L298 G299 E303 A304 R305 | M182-M301 HydrophobicContact CG-CG 3.88Å; F185-M301 HydrophobicContact CB-CB 3.92Å; R186-M301 HydrophobicContact CB-CG 3.96Å; R186-M301 HydrophobicContact CB-SD 3.68Å; R186-M301 HydrophobicContact CG-SD 3.77Å; N297-M301 WeakPolarHBondContact O-CB 3.44Å; N297-M301 PolarHBondContact O-N 3.05Å; L298-M301 HydrophobicContact CD1-CE 3.7Å; L298-M301 HydrophobicContact CD1-SD 4.33Å; L298-M301 WeakPolarHBondContact O-CB 3.47Å; L298-M301 PolarHBondContact O-N 2.95Å; G299-M301 VanDerWaalsContact C-N 3.3Å; G299-M301 PolarHBondContact O-N 3.22Å; M301-E303 VanDerWaalsContact C-N 3.35Å; M301-A304 PolarHBondContact O-N 2.86Å; M301-R305 WeakPolarHBondContact O-CB 3.31Å; M301-R305 PolarHBondContact O-N 3.34Å |
| 302 | L | 73 | Confident | 75.3 | Confident | 45 Ų | 45 | 45 Ų | 45 | 24% | 0.236 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.6 | -41.7 | 176.6 | -68.7 | 173.5 | 0 | 0 | 0 | 111.2 | L298 G299 R305 A306 I818 | L298-L302 HydrophobicContact CG-CD1 4.46Å; L298-L302 WeakPolarHBondContact O-CG 3.45Å; L298-L302 PolarHBondContact O-N 2.88Å; G299-L302 PolarHBondContact O-N 3.47Å; G299-L302 VanDerWaalsContact O-N 3.15Å; L302-R305 PolarHBondContact O-N 3.09Å; L302-A306 WeakPolarHBondContact O-CB 3.38Å; L302-A306 PolarHBondContact O-N 3.27Å; L302-I818 HydrophobicContact CD1-CD1 4.46Å; L302-I818 HydrophobicContact CD1-CG1 4.04Å |
| 303 | E | 70 | Confident | 74.3 | Confident | 39 Ų | 39 | 47.8 Ų | 47.8 | 18% | 0.182 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.5 | -52.7 | 172.3 | 168 | 164.4 | -168 | 0 | 0 | 112.2 | G299 M301 R305 A306 R307 L485 | G299-E303 PolarHBondContact O-N 2.95Å; M301-E303 VanDerWaalsContact C-N 3.35Å; E303-R305 VanDerWaalsContact C-N 3.27Å; E303-R305 PolarHBondContact O-N 3.18Å; E303-A306 PolarHBondContact O-N 2.85Å; E303-R307 PolarHBondContact O-N 3.48Å; E303-R307 IonicContact OE1-CZ 3.81Å; E303-R307 IonicContact OE1-NE 3.19Å; E303-R307 IonicContact OE1-NH1 2.71Å; E303-R307 PolarHBondContact OE1-NH1 2.96Å; E303-R307 IonicContact OE1-NH2 2.83Å; E303-R307 PolarHBondContact OE1-NH2 3.44Å; E303-L485 HydrophobicContact CB-CD1 4.04Å; E303-L485 HydrophobicContact CB-CD2 3.92Å; E303-L485 HydrophobicContact CB-CG 4.41Å; E303-L485 HydrophobicContact CG-CD1 4.39Å; E303-L485 HydrophobicContact CG-CD2 3.48Å; E303-L485 VanDerWaalsContact CG-CD2 3.48Å; E303-L485 HydrophobicContact CG-CG 4.23Å |
| 304 | A | 74.9 | Confident | 73 | Confident | 21 Ų | 21 | 48.3 Ų | 48.3 | 17% | 0.174 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61 | -38.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | M182 H300 M301 Q308 | M182-A304 HydrophobicContact CB-CB 4.46Å; H300-A304 WeakPolarHBondContact O-CB 3.42Å; H300-A304 PolarHBondContact O-N 3.27Å; M301-A304 PolarHBondContact O-N 2.86Å; A304-Q308 WeakPolarHBondContact O-CB 3.4Å; A304-Q308 PolarHBondContact O-N 3.42Å |
| 305 | R | 75.4 | Confident | 71.9 | Confident | 157 Ų | 157 | 49.5 Ų | 49.5 | 59% | 0.592 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -66.2 | -42.7 | 176.7 | -175.1 | 179.6 | 179.4 | 179.2 | 0 | 112.4 | M182 M301 L302 E303 Q308 R309 | M182-R305 VanDerWaalsContact CE-CA 3.43Å; M182-R305 HydrophobicContact CE-CB 3.82Å; M182-R305 HydrophobicContact CE-CG 4.23Å; M182-R305 HydrophobicContact SD-CB 3.91Å; M182-R305 HydrophobicContact SD-CG 4.17Å; M301-R305 WeakPolarHBondContact O-CB 3.31Å; M301-R305 PolarHBondContact O-N 3.34Å; L302-R305 PolarHBondContact O-N 3.09Å; E303-R305 VanDerWaalsContact C-N 3.27Å; E303-R305 PolarHBondContact O-N 3.18Å; R305-Q308 PolarHBondContact O-N 3.33Å; R305-R309 WeakPolarHBondContact O-CB 3.48Å; R305-R309 PolarHBondContact O-N 3.38Å |
| 306 | A | 64.1 | Low | 71.1 | Confident | 14 Ų | 14 | 54.9 Ų | 54.9 | 12% | 0.116 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63 | -46.3 | 178 | 0 | 0 | 0 | 0 | 0 | 110.9 | L302 E303 S310 M489 V821 | L302-A306 WeakPolarHBondContact O-CB 3.38Å; L302-A306 PolarHBondContact O-N 3.27Å; E303-A306 PolarHBondContact O-N 2.85Å; A306-S310 PolarHBondContact O-N 3.2Å; A306-S310 PolarHBondContact O-OG 3.21Å; A306-M489 HydrophobicContact CB-CE 4.45Å; A306-M489 HydrophobicContact CB-SD 3.63Å; A306-V821 HydrophobicContact CB-CG1 4.48Å |
| 307 | R | 66.5 | Low | 70.4 | Confident | 73 Ų | 73 | 56.5 Ų | 56.5 | 28% | 0.275 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.4 | -48.9 | 174.3 | -71.6 | -175.6 | -179.2 | 154.9 | 11.2 | 112.5 | E303 R309 S310 S311 M489 | E303-R307 PolarHBondContact O-N 3.48Å; E303-R307 IonicContact OE1-CZ 3.81Å; E303-R307 IonicContact OE1-NE 3.19Å; E303-R307 IonicContact OE1-NH1 2.71Å; E303-R307 PolarHBondContact OE1-NH1 2.96Å; E303-R307 IonicContact OE1-NH2 2.83Å; E303-R307 PolarHBondContact OE1-NH2 3.44Å; R307-R309 PolarHBondContact O-N 3.1Å; R307-S310 WeakPolarHBondContact O-CB 3.43Å; R307-S310 PolarHBondContact O-N 2.93Å; R307-S311 PolarHBondContact O-N 3.07Å; R307-S311 PolarHBondContact O-OG 2.97Å; R307-M489 HydrophobicContact CG-CE 3.62Å |
| 308 | Q | 72.3 | Confident | 69.4 | Low | 44 Ų | 44 | 57.9 Ų | 57.9 | 21% | 0.206 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.4 | -41.9 | -177.9 | -173.2 | -175.5 | -8 | 0 | 0 | 112.6 | M182 A304 R305 S310 S311 K312 | M182-Q308 HydrophobicContact CE-CB 4.15Å; A304-Q308 WeakPolarHBondContact O-CB 3.4Å; A304-Q308 PolarHBondContact O-N 3.42Å; R305-Q308 PolarHBondContact O-N 3.33Å; Q308-S310 PolarHBondContact O-N 3.15Å; Q308-S311 PolarHBondContact O-N 3.39Å; Q308-K312 WeakPolarHBondContact O-CB 3.31Å; Q308-K312 PolarHBondContact O-N 3.14Å |
| 309 | R | 67.4 | Low | 68.8 | Low | 206 Ų | 206 | 61.2 Ų | 61.2 | 78% | 0.777 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -56.4 | -38.5 | 178.8 | -177.2 | 178.8 | -179.3 | 173.6 | 0.5 | 111 | R305 R307 A313 | R305-R309 WeakPolarHBondContact O-CB 3.48Å; R305-R309 PolarHBondContact O-N 3.38Å; R307-R309 PolarHBondContact O-N 3.1Å; R309-A313 PolarHBondContact O-N 2.8Å |
| 310 | S | 60.5 | Low | 68.8 | Low | 28 Ų | 28 | 61.7 Ų | 61.7 | 20% | 0.196 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -74.2 | -44.7 | 179.8 | -59.1 | 0 | 0 | 0 | 0 | 113.3 | A306 R307 Q308 K312 A313 L314 I492 | A306-S310 PolarHBondContact O-N 3.2Å; A306-S310 PolarHBondContact O-OG 3.21Å; R307-S310 WeakPolarHBondContact O-CB 3.43Å; R307-S310 PolarHBondContact O-N 2.93Å; Q308-S310 PolarHBondContact O-N 3.15Å; S310-K312 PolarHBondContact O-N 3.44Å; S310-A313 WeakPolarHBondContact O-CB 3.46Å; S310-A313 PolarHBondContact O-N 2.89Å; S310-A313 VanDerWaalsContact O-N 3.12Å; S310-L314 PolarHBondContact O-N 2.84Å; S310-I492 WeakPolarHBondContact OG-CG2 3.44Å |
| 311 | S | 63.3 | Low | 68.8 | Low | 52 Ų | 52 | 61.8 Ų | 61.8 | 36% | 0.364 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57.6 | -40 | 172.7 | -55.9 | 0 | 0 | 0 | 0 | 111.2 | R307 Q308 A313 L314 E315 | R307-S311 PolarHBondContact O-N 3.07Å; R307-S311 PolarHBondContact O-OG 2.97Å; Q308-S311 PolarHBondContact O-N 3.39Å; S311-A313 VanDerWaalsContact C-N 3.32Å; S311-A313 PolarHBondContact O-N 3.08Å; S311-L314 WeakPolarHBondContact O-CB 3.48Å; S311-L314 PolarHBondContact O-N 3.22Å; S311-L314 VanDerWaalsContact O-N 3.16Å; S311-E315 WeakPolarHBondContact O-CG 3.48Å; S311-E315 PolarHBondContact O-N 3.29Å |
| 312 | K | 66.2 | Low | 68.9 | Low | 119 Ų | 119 | 62.1 Ų | 62.1 | 52% | 0.517 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.9 | -32.2 | 177.4 | -170 | 170.4 | -174.8 | 170.6 | 0 | 113.7 | Q308 S310 L314 E315 K316 | Q308-K312 WeakPolarHBondContact O-CB 3.31Å; Q308-K312 PolarHBondContact O-N 3.14Å; S310-K312 PolarHBondContact O-N 3.44Å; K312-L314 VanDerWaalsContact C-N 3.3Å; K312-E315 WeakPolarHBondContact CA-OE2 3.47Å; K312-E315 PolarHBondContact O-N 2.8Å; K312-K316 WeakPolarHBondContact O-CG 3.33Å; K312-K316 PolarHBondContact O-N 3.27Å; K312-K316 VanDerWaalsContact O-N 3.15Å |
| 313 | A | 62 | Low | 69.4 | Low | 63 Ų | 63 | 65 Ų | 65 | 52% | 0.521 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -66.4 | -36.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | R309 S310 S311 | R309-A313 PolarHBondContact O-N 2.8Å; S310-A313 WeakPolarHBondContact O-CB 3.46Å; S310-A313 PolarHBondContact O-N 2.89Å; S310-A313 VanDerWaalsContact O-N 3.12Å; S311-A313 VanDerWaalsContact C-N 3.32Å; S311-A313 PolarHBondContact O-N 3.08Å |
| 314 | L | 62.4 | Low | 70.4 | Confident | 11 Ų | 11 | 66.5 Ų | 66.5 | 6% | 0.058 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -70.8 | -38.6 | 174.5 | -176.3 | 55.5 | 0 | 0 | 0 | 112.1 | S310 S311 K312 K316 L317 I416 V419 R420 | S310-L314 PolarHBondContact O-N 2.84Å; S311-L314 WeakPolarHBondContact O-CB 3.48Å; S311-L314 PolarHBondContact O-N 3.22Å; S311-L314 VanDerWaalsContact O-N 3.16Å; K312-L314 VanDerWaalsContact C-N 3.3Å; L314-K316 VanDerWaalsContact C-N 3.27Å; L314-K316 PolarHBondContact O-N 3.04Å; L314-L317 HydrophobicContact CD1-CD1 4.01Å; L314-L317 WeakPolarHBondContact O-CB 3.44Å; L314-L317 PolarHBondContact O-N 3.14Å; L314-I416 HydrophobicContact CD1-CG2 4.46Å; L314-V419 HydrophobicContact CD1-CB 3.89Å; L314-V419 HydrophobicContact CD1-CG1 3.46Å; L314-V419 VanDerWaalsContact CD1-CG1 3.46Å; L314-V419 HydrophobicContact CD2-CG1 3.91Å; L314-V419 HydrophobicContact CG-CG1 4.3Å; L314-R420 HydrophobicContact CD2-CB 4.47Å; L314-R420 HydrophobicContact CD2-CG 3.43Å; L314-R420 VanDerWaalsContact CD2-CG 3.43Å; L314-R420 HydrophobicContact CG-CG 4.46Å |
| 315 | E | 65.1 | Low | 71.2 | Confident | 25 Ų | 25 | 65.7 Ų | 65.7 | 12% | 0.117 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.3 | -33.5 | 175.8 | -70.6 | 168.8 | 155.9 | 0 | 0 | 112.8 | Q175 S311 K312 L317 L318 D319 | Q175-E315 VanDerWaalsContact CG-OE1 3.29Å; Q175-E315 WeakPolarHBondContact CG-OE1 3.49Å; Q175-E315 PolarHBondContact NE2-OE1 3.09Å; Q175-E315 PolarHBondContact NE2-OE2 3.39Å; S311-E315 WeakPolarHBondContact O-CG 3.48Å; S311-E315 PolarHBondContact O-N 3.29Å; K312-E315 WeakPolarHBondContact CA-OE2 3.47Å; K312-E315 PolarHBondContact O-N 2.8Å; E315-L317 PolarHBondContact O-N 2.83Å; E315-L317 VanDerWaalsContact O-N 3.1Å; E315-L318 WeakPolarHBondContact O-CA 3.37Å; E315-L318 VanDerWaalsContact O-CB 3.27Å; E315-L318 WeakPolarHBondContact O-CB 3.28Å; E315-L318 PolarHBondContact O-N 3.09Å; E315-D319 PolarHBondContact O-N 3.31Å; E315-D319 VanDerWaalsContact O-N 3.16Å |
| 316 | K | 67.7 | Low | 72.1 | Confident | 132 Ų | 132 | 61.4 Ų | 61.4 | 57% | 0.574 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -59.9 | -22.1 | 173.7 | -75.3 | -177.9 | 173.9 | -165.4 | 0 | 113.8 | K312 L314 | K312-K316 WeakPolarHBondContact O-CG 3.33Å; K312-K316 PolarHBondContact O-N 3.27Å; K312-K316 VanDerWaalsContact O-N 3.15Å; L314-K316 VanDerWaalsContact C-N 3.27Å; L314-K316 PolarHBondContact O-N 3.04Å |
| 317 | L | 65.3 | Low | 73.6 | Confident | 42 Ų | 42 | 62 Ų | 62 | 22% | 0.22 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -73.5 | -30.8 | 172.1 | -61.4 | 179.8 | 0 | 0 | 0 | 111.6 | L314 E315 L320 I416 | L314-L317 HydrophobicContact CD1-CD1 4.01Å; L314-L317 WeakPolarHBondContact O-CB 3.44Å; L314-L317 PolarHBondContact O-N 3.14Å; E315-L317 PolarHBondContact O-N 2.83Å; E315-L317 VanDerWaalsContact O-N 3.1Å; L317-L320 HydrophobicContact CD2-CD1 4Å; L317-L320 VanDerWaalsContact O-CB 3.27Å; L317-L320 WeakPolarHBondContact O-CB 3.43Å; L317-L320 WeakPolarHBondContact O-CG 3.29Å; L317-L320 PolarHBondContact O-N 3.22Å; L317-I416 HydrophobicContact CB-CD1 4.02Å; L317-I416 HydrophobicContact CB-CG1 4.09Å |
| 318 | L | 65.3 | Low | 74.9 | Confident | 29 Ų | 29 | 59.8 Ų | 59.8 | 15% | 0.152 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -72 | -34 | 174.5 | -69.7 | 163.5 | 0 | 0 | 0 | 112 | R171 E315 L320 T321 I416 | R171-L318 VanDerWaalsContact NH1-CD2 3.29Å; E315-L318 WeakPolarHBondContact O-CA 3.37Å; E315-L318 VanDerWaalsContact O-CB 3.27Å; E315-L318 WeakPolarHBondContact O-CB 3.28Å; E315-L318 PolarHBondContact O-N 3.09Å; L318-L320 PolarHBondContact O-N 3.45Å; L318-L320 VanDerWaalsContact O-N 3.08Å; L318-T321 PolarHBondContact O-N 3.33Å; L318-I416 HydrophobicContact CD1-CG2 4.41Å; L318-I416 HydrophobicContact CD2-CD1 3.41Å; L318-I416 VanDerWaalsContact CD2-CD1 3.41Å; L318-I416 HydrophobicContact CD2-CG1 4.45Å; L318-I416 HydrophobicContact CD2-CG2 3.98Å; L318-I416 HydrophobicContact CG-CD1 3.75Å; L318-I416 HydrophobicContact CG-CG2 4.13Å |
| 319 | D | 70 | Confident | 75.7 | Confident | 125 Ų | 125 | 60.1 Ų | 60.1 | 67% | 0.668 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -9.1 | 174.7 | -62.3 | -23.1 | 0 | 0 | 0 | 112.4 | E315 T321 | E315-D319 PolarHBondContact O-N 3.31Å; E315-D319 VanDerWaalsContact O-N 3.16Å; D319-T321 VanDerWaalsContact C-N 3.27Å |
| 320 | L | 74.2 | Confident | 76.5 | Confident | 18 Ų | 18 | 59 Ų | 59 | 9% | 0.094 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -6.6 | 171.4 | -51.6 | 175.7 | 0 | 0 | 0 | 112.3 | L317 L318 R354 M372 G391 L412 | L317-L320 HydrophobicContact CD2-CD1 4Å; L317-L320 VanDerWaalsContact O-CB 3.27Å; L317-L320 WeakPolarHBondContact O-CB 3.43Å; L317-L320 WeakPolarHBondContact O-CG 3.29Å; L317-L320 PolarHBondContact O-N 3.22Å; L318-L320 PolarHBondContact O-N 3.45Å; L318-L320 VanDerWaalsContact O-N 3.08Å; L320-R354 WeakPolarHBondContact O-CD 3.3Å; L320-M372 HydrophobicContact CD1-CB 4.49Å; L320-M372 HydrophobicContact CD1-CE 4.31Å; L320-M372 HydrophobicContact CD2-CE 4.33Å; L320-G391 WeakPolarHBondContact O-CA 3.42Å; L320-L412 HydrophobicContact CB-CD2 4.08Å |
| 321 | T | 77.4 | Confident | 77.6 | Confident | 33 Ų | 33 | 65.2 Ų | 65.2 | 20% | 0.202 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -95.6 | 116.3 | 173.2 | -42.4 | 0 | 0 | 0 | 0 | 109.2 | L318 D319 L338 P356 L412 | L318-T321 PolarHBondContact O-N 3.33Å; D319-T321 VanDerWaalsContact C-N 3.27Å; T321-L338 HydrophobicContact CG2-CD2 3.32Å; T321-P356 WeakPolarHBondContact CG2-O 3.5Å; T321-L412 VanDerWaalsContact OG1-CD2 3.3Å; T321-L412 WeakPolarHBondContact OG1-CD2 3.39Å |
| 322 | P | 84.2 | Confident | 78.7 | Confident | 29 Ų | 29 | 64.3 Ų | 64.3 | 19% | 0.188 | 35% | 0.351 | C | S | . | . | trans | -63.2 | 144.7 | 177.5 | 28.5 | -37 | 0 | 0 | 0 | 110.9 | T324 P356 | P322-T324 PolarHBondContact O-N 3.24Å; P322-P356 HydrophobicContact CG-CB 3.78Å | ||
| 323 | P | 84.3 | Confident | 79.9 | Confident | 106 Ų | 106 | 63 Ų | 63 | 69% | 0.688 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -72.1 | -16 | -176.8 | 29 | -35.7 | 0 | 0 | 0 | 113.8 | L338 | P323-L338 PolarHBondContact O-N 3.4Š|
| 324 | T | 90.1 | Very high | 81.4 | Confident | 69 Ų | 69 | 64.7 Ų | 64.7 | 42% | 0.423 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 150.8 | -176.5 | 57.1 | 0 | 0 | 0 | 0 | 110.8 | P322 V336 | P322-T324 PolarHBondContact O-N 3.24Å; T324-V336 CarbonylContact C-O 3.57Å; T324-V336 WeakPolarHBondContact CA-O 3.47Å; T324-V336 WeakPolarHBondContact CB-O 3.49Å |
| 325 | A | 92.6 | Very high | 82.8 | Confident | 4 Ų | 4 | 68.2 Ų | 68.2 | 3% | 0.033 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 153.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | S335 V336 V341 L347 P356 | A325-S335 WeakPolarHBondContact O-CA 3.45Å; A325-V336 PolarHBondContact N-O 3.38Å; A325-V336 PolarHBondContact O-N 3.16Å; A325-V341 HydrophobicContact CB-CG2 3.68Å; A325-L347 HydrophobicContact CB-CD1 4.28Å; A325-L347 HydrophobicContact CB-CD2 4.04Å; A325-P356 HydrophobicContact CB-CB 4.02Å; A325-P356 HydrophobicContact CB-CG 3.86Å |
| 326 | R | 94.2 | Very high | 84.1 | Confident | 68 Ų | 68 | 68 Ų | 68 | 26% | 0.257 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 99.5 | 174.2 | -71 | -172 | -75.4 | 168.8 | -10.7 | 109.9 | L347 R348 T350 D353 | R326-L347 CarbonylContact O-C 3.55Å; R326-L347 VanDerWaalsContact O-CA 3.26Å; R326-L347 WeakPolarHBondContact O-CA 3.19Å; R326-R348 HydrophobicContact CB-CB 4.38Å; R326-R348 PolarHBondContact O-N 2.89Å; R326-T350 PolarHBondContact NH2-OG1 3.14Å; R326-D353 IonicContact CZ-OD2 3.75Å; R326-D353 IonicContact NE-OD2 3.58Å; R326-D353 PolarHBondContact NE-OD2 3.43Å; R326-D353 IonicContact NH2-OD1 2.86Å; R326-D353 PolarHBondContact NH2-OD1 3.21Å; R326-D353 IonicContact NH2-OD2 2.6Å; R326-D353 PolarHBondContact NH2-OD2 2.52Å |
| 327 | L | 94.8 | Very high | 85.2 | Confident | 25 Ų | 25 | 64.6 Ų | 64.6 | 13% | 0.131 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 132 | 177.4 | -177.7 | 70.1 | 0 | 0 | 0 | 110.4 | T329 E333 K334 V336 M345 L347 | L327-T329 HydrophobicContact CD2-CG2 3.78Å; L327-T329 HydrophobicContact CG-CG2 3.88Å; L327-E333 CarbonylContact O-C 3.49Å; L327-E333 WeakPolarHBondContact O-CA 3.38Å; L327-K334 PolarHBondContact N-O 2.98Å; L327-K334 PolarHBondContact O-N 3.33Å; L327-V336 HydrophobicContact CB-CG1 4.3Å; L327-V336 HydrophobicContact CB-CG2 4.03Å; L327-V336 HydrophobicContact CD2-CG1 4.28Å; L327-M345 HydrophobicContact CD1-CB 3.66Å; L327-M345 HydrophobicContact CD1-CG 3.98Å; L327-M345 HydrophobicContact CD1-SD 3.86Å; L327-M345 HydrophobicContact CD2-SD 4.49Å; L327-L347 HydrophobicContact CB-CD2 4.22Å; L327-L347 HydrophobicContact CD1-CD2 3.98Å |
| 328 | V | 93.4 | Very high | 86.3 | Confident | 28 Ų | 28 | 64.4 Ų | 64.4 | 17% | 0.17 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 117.5 | 174.6 | -173.3 | 0 | 0 | 0 | 0 | 108.6 | E333 L346 R348 L400 | V328-E333 HydrophobicContact CG2-CG 4.25Å; V328-L346 HydrophobicContact CB-CD2 4.18Å; V328-L346 HydrophobicContact CB-CG 4.46Å; V328-L346 HydrophobicContact CG1-CD2 4.31Å; V328-L346 PolarHBondContact N-O 2.96Å; V328-R348 HydrophobicContact CG2-CB 3.82Å; V328-L400 HydrophobicContact CB-CD2 4.43Å; V328-L400 HydrophobicContact CG2-CD2 3.62Å |
| 329 | T | 90.3 | Very high | 87.2 | Confident | 51 Ų | 51 | 68 Ų | 68 | 31% | 0.313 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 171 | 176.9 | 62.8 | 0 | 0 | 0 | 0 | 110 | L327 E331 G332 | L327-T329 HydrophobicContact CD2-CG2 3.78Å; L327-T329 HydrophobicContact CG-CG2 3.88Å; T329-E331 PolarHBondContact O-N 3.02Å; T329-E331 VanDerWaalsContact O-N 3.16Å; T329-G332 PolarHBondContact N-O 3.45Å; T329-G332 PolarHBondContact O-N 3.29Å; T329-G332 PolarHBondContact OG1-O 3.43Å |
| 330 | D | 83.7 | Confident | 88.1 | Confident | 182 Ų | 182 | 67.5 Ų | 67.5 | 97% | 0.973 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -24.7 | 174.7 | -62.5 | -30.5 | 0 | 0 | 0 | 112.7 | G332 | D330-G332 VanDerWaalsContact C-N 3.28Š|
| 331 | E | 83.5 | Confident | 88.9 | Confident | 158 Ų | 158 | 66.9 Ų | 66.9 | 74% | 0.738 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -3.4 | 175.2 | -61.4 | -176.1 | 176.6 | 0 | 0 | 113.6 | T329 K334 | T329-E331 PolarHBondContact O-N 3.02Å; T329-E331 VanDerWaalsContact O-N 3.16Å; E331-K334 IonicContact OE2-NZ 3.51Å; E331-K334 PolarHBondContact OE2-NZ 2.86Å |
| 332 | G | 87 | Confident | 89.5 | Confident | 33 Ų | 33 | 71.2 Ų | 71.2 | 34% | 0.34 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 111.8 | -165.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | T329 D330 | T329-G332 PolarHBondContact N-O 3.45Å; T329-G332 PolarHBondContact O-N 3.29Å; T329-G332 PolarHBondContact OG1-O 3.43Å; D330-G332 VanDerWaalsContact C-N 3.28Å |
| 333 | E | 91.4 | Very high | 89.9 | Confident | 91 Ų | 91 | 73.7 Ų | 73.7 | 43% | 0.425 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 131.1 | 179.7 | -66.7 | -179.6 | -130.6 | 0 | 0 | 111.7 | L327 V328 R348 | L327-E333 CarbonylContact O-C 3.49Å; L327-E333 WeakPolarHBondContact O-CA 3.38Å; V328-E333 HydrophobicContact CG2-CG 4.25Å; E333-R348 VanDerWaalsContact CD-NE 3.29Å; E333-R348 WeakPolarHBondContact OE1-CD 3.39Å; E333-R348 IonicContact OE1-CZ 2.77Å; E333-R348 IonicContact OE1-NE 2.64Å; E333-R348 PolarHBondContact OE1-NE 2.91Å; E333-R348 VanDerWaalsContact OE1-NE 3.17Å; E333-R348 IonicContact OE1-NH1 3.85Å; E333-R348 PolarHBondContact OE1-NH1 3.34Å; E333-R348 IonicContact OE1-NH2 2.63Å; E333-R348 WeakPolarHBondContact OE2-CD 3.42Å; E333-R348 IonicContact OE2-NE 2.95Å |
| 334 | K | 92.1 | Very high | 90.3 | Very high | 100 Ų | 100 | 70.3 Ų | 70.3 | 44% | 0.435 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 138 | 173 | -64.9 | -179.6 | -175.5 | 172.6 | 0 | 109.9 | L327 E331 | L327-K334 PolarHBondContact N-O 2.98Å; L327-K334 PolarHBondContact O-N 3.33Å; E331-K334 IonicContact OE2-NZ 3.51Å; E331-K334 PolarHBondContact OE2-NZ 2.86Å |
| 335 | S | 92.8 | Very high | 90.5 | Very high | 84 Ų | 84 | 69.6 Ų | 69.6 | 59% | 0.587 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 122.4 | 171 | -173 | 0 | 0 | 0 | 0 | 109.2 | A325 | A325-S335 WeakPolarHBondContact O-CA 3.45Å |
| 336 | V | 92 | Very high | 90.6 | Very high | 21 Ų | 21 | 71.7 Ų | 71.7 | 13% | 0.127 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 148.5 | -179.7 | -63 | 0 | 0 | 0 | 0 | 110.4 | T324 A325 L327 V341 | T324-V336 CarbonylContact C-O 3.57Å; T324-V336 WeakPolarHBondContact CA-O 3.47Å; T324-V336 WeakPolarHBondContact CB-O 3.49Å; A325-V336 PolarHBondContact N-O 3.38Å; A325-V336 PolarHBondContact O-N 3.16Å; L327-V336 HydrophobicContact CB-CG1 4.3Å; L327-V336 HydrophobicContact CB-CG2 4.03Å; L327-V336 HydrophobicContact CD2-CG1 4.28Å; V336-V341 HydrophobicContact CG2-CG2 4.12Å |
| 337 | P | 90.5 | Very high | 90.7 | Very high | 60 Ų | 60 | 68.5 Ų | 68.5 | 39% | 0.39 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.6 | 142.2 | 168 | -23.6 | 34.1 | 0 | 0 | 0 | 111.2 | A339 E340 | P337-A339 PolarHBondContact O-N 3.35Å; P337-A339 VanDerWaalsContact O-N 3.13Å; P337-E340 HydrophobicContact CB-CG 4.42Å; P337-E340 PolarHBondContact O-N 3.12Å |
| 338 | L | 87.8 | Confident | 90.7 | Very high | 39 Ų | 39 | 70.6 Ų | 70.6 | 20% | 0.204 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -56.6 | -33.5 | -179.2 | -176 | 68 | 0 | 0 | 0 | 112.8 | T321 P323 E340 V341 P356 V357 | T321-L338 HydrophobicContact CG2-CD2 3.32Å; P323-L338 PolarHBondContact O-N 3.4Å; L338-E340 PolarHBondContact O-N 3.26Å; L338-V341 HydrophobicContact CD1-CG2 4.31Å; L338-V341 WeakPolarHBondContact O-CB 3.38Å; L338-V341 PolarHBondContact O-N 3.34Å; L338-V341 VanDerWaalsContact O-N 3.12Å; L338-P356 HydrophobicContact CD1-CB 3.58Å; L338-V357 HydrophobicContact CD1-CG1 3.59Å |
| 339 | A | 85.5 | Confident | 90.8 | Very high | 103 Ų | 103 | 69.3 Ų | 69.3 | 85% | 0.851 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -63.7 | -19.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | P337 | P337-A339 PolarHBondContact O-N 3.35Å; P337-A339 VanDerWaalsContact O-N 3.13Å |
| 340 | E | 88.1 | Confident | 90.8 | Very high | 116 Ų | 116 | 69 Ų | 69 | 54% | 0.542 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -90.2 | -7.7 | 177.8 | -64.6 | 178.3 | -160.3 | 0 | 0 | 112.8 | P337 L338 Q342 | P337-E340 HydrophobicContact CB-CG 4.42Å; P337-E340 PolarHBondContact O-N 3.12Å; L338-E340 PolarHBondContact O-N 3.26Å; E340-Q342 PolarHBondContact O-N 3.26Å |
| 341 | V | 90.6 | Very high | 91.1 | Very high | 5 Ų | 5 | 63.9 Ų | 63.9 | 3% | 0.03 | 37% | 0.365 | C | S | . | . | trans | -75.2 | 123.7 | 179.7 | -178.2 | 0 | 0 | 0 | 0 | 109.9 | A325 V336 L338 L347 V357 A403 V406 | A325-V341 HydrophobicContact CB-CG2 3.68Å; V336-V341 HydrophobicContact CG2-CG2 4.12Å; L338-V341 HydrophobicContact CD1-CG2 4.31Å; L338-V341 WeakPolarHBondContact O-CB 3.38Å; L338-V341 PolarHBondContact O-N 3.34Å; L338-V341 VanDerWaalsContact O-N 3.12Å; V341-L347 HydrophobicContact CG1-CD1 3.88Å; V341-L347 HydrophobicContact CG1-CD2 4.47Å; V341-V357 HydrophobicContact CG1-CG1 4.12Å; V341-V357 HydrophobicContact CG1-CG2 4.17Å; V341-A403 HydrophobicContact CG1-CB 4.25Å; V341-V406 HydrophobicContact CG1-CG1 3.98Å | ||
| 342 | Q | 90.9 | Very high | 91.3 | Very high | 123 Ų | 123 | 59.2 Ų | 59.2 | 58% | 0.575 | 36% | 0.359 | S | S | * | . | trans | -111.6 | 154.7 | 177.1 | -60.7 | -180 | 3.6 | 0 | 0 | 111.2 | E340 G344 M345 | E340-Q342 PolarHBondContact O-N 3.26Å; Q342-G344 PolarHBondContact O-N 3.36Å; Q342-M345 HydrophobicContact CB-CE 3.95Å; Q342-M345 HydrophobicContact CB-CG 4.42Å; Q342-M345 HydrophobicContact CB-SD 4.2Å; Q342-M345 HydrophobicContact CG-CE 4.03Å; Q342-M345 PolarHBondContact N-SD 3.5Å; Q342-M345 WeakPolarHBondContact O-CB 3.11Å; Q342-M345 WeakPolarHBondContact O-CG 3.44Å; Q342-M345 PolarHBondContact O-N 2.96Å | ||
| 343 | P | 92.1 | Very high | 91.4 | Very high | 81 Ų | 81 | 60 Ų | 60 | 53% | 0.526 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 140.4 | 170.5 | -23.3 | 35.1 | 0 | 0 | 0 | 111.3 | A403 V406 | P343-A403 CarbonylContact C-O 3.6Å; P343-A403 WeakPolarHBondContact CA-O 3.22Å; P343-V406 HydrophobicContact CG-CG1 4.39Å; P343-V406 HydrophobicContact CG-CG2 4.06Å |
| 344 | G | 92.1 | Very high | 91.4 | Very high | 36 Ų | 36 | 59.9 Ų | 59.9 | 37% | 0.371 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.7 | -17.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q342 R402 A403 | Q342-G344 PolarHBondContact O-N 3.36Å; G344-R402 PolarHBondContact O-NH1 3.08Å; G344-R402 VanDerWaalsContact O-NH1 3.09Å; G344-A403 PolarHBondContact N-O 2.95Å |
| 345 | M | 94.6 | Very high | 91.4 | Very high | 54 Ų | 54 | 55.1 Ų | 55.1 | 27% | 0.266 | 33% | 0.33 | S | S | . | . | trans | -66.6 | 144.5 | 175.9 | -72.5 | -175 | 174.7 | 0 | 0 | 112.1 | L327 Q342 R402 A403 | L327-M345 HydrophobicContact CD1-CB 3.66Å; L327-M345 HydrophobicContact CD1-CG 3.98Å; L327-M345 HydrophobicContact CD1-SD 3.86Å; L327-M345 HydrophobicContact CD2-SD 4.49Å; Q342-M345 HydrophobicContact CB-CE 3.95Å; Q342-M345 HydrophobicContact CB-CG 4.42Å; Q342-M345 HydrophobicContact CB-SD 4.2Å; Q342-M345 HydrophobicContact CG-CE 4.03Å; Q342-M345 PolarHBondContact N-SD 3.5Å; Q342-M345 WeakPolarHBondContact O-CB 3.11Å; Q342-M345 WeakPolarHBondContact O-CG 3.44Å; Q342-M345 PolarHBondContact O-N 2.96Å; M345-R402 WeakPolarHBondContact O-CA 3.27Å; M345-A403 PolarHBondContact O-N 3.19Å | ||
| 346 | L | 96.1 | Very high | 91.4 | Very high | 47 Ų | 47 | 51.4 Ų | 51.4 | 25% | 0.246 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 122.9 | 178.9 | -165.7 | 74.4 | 0 | 0 | 0 | 110.4 | V328 T362 L400 | V328-L346 HydrophobicContact CB-CD2 4.18Å; V328-L346 HydrophobicContact CB-CG 4.46Å; V328-L346 HydrophobicContact CG1-CD2 4.31Å; V328-L346 PolarHBondContact N-O 2.96Å; L346-T362 HydrophobicContact CD1-CG2 4.13Å; L346-T362 WeakPolarHBondContact CD1-OG1 3.39Å; L346-L400 HydrophobicContact CD1-CB 4.31Å; L346-L400 HydrophobicContact CD2-CB 4.46Å; L346-L400 HydrophobicContact CD2-CD1 4.36Å; L346-L400 HydrophobicContact CD2-CD2 4.42Å; L346-L400 HydrophobicContact CG-CB 4.43Å |
| 347 | L | 95.9 | Very high | 91.4 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 149.5 | -176.6 | -60.1 | 178 | 0 | 0 | 0 | 110.7 | A325 R326 L327 V341 P356 V357 L400 F401 A403 | A325-L347 HydrophobicContact CB-CD1 4.28Å; A325-L347 HydrophobicContact CB-CD2 4.04Å; R326-L347 CarbonylContact O-C 3.55Å; R326-L347 VanDerWaalsContact O-CA 3.26Å; R326-L347 WeakPolarHBondContact O-CA 3.19Å; L327-L347 HydrophobicContact CB-CD2 4.22Å; L327-L347 HydrophobicContact CD1-CD2 3.98Å; V341-L347 HydrophobicContact CG1-CD1 3.88Å; V341-L347 HydrophobicContact CG1-CD2 4.47Å; L347-P356 HydrophobicContact CD1-CG 4.1Å; L347-V357 HydrophobicContact CD1-CG2 3.52Å; L347-L400 WeakPolarHBondContact O-CA 3.39Å; L347-F401 HydrophobicContact CB-CD1 3.9Å; L347-F401 HydrophobicContact CB-CE1 3.37Å; L347-F401 HydrophobicContact CB-CE2 4.49Å; L347-F401 HydrophobicContact CB-CZ 3.73Å; L347-F401 HydrophobicContact CD1-CE1 4.1Å; L347-F401 HydrophobicContact CD1-CE2 4.13Å; L347-F401 HydrophobicContact CD1-CZ 3.56Å; L347-F401 HydrophobicContact CG-CE1 4.37Å; L347-F401 HydrophobicContact CG-CZ 4.26Å; L347-F401 PolarHBondContact N-O 3.22Å; L347-F401 WeakPolarHBondContact O-CD1 3.24Å; L347-F401 PolarHBondContact O-N 3.33Å; L347-A403 HydrophobicContact CD1-CB 4.36Å |
| 348 | R | 95.1 | Very high | 91.5 | Very high | 69 Ų | 69 | 47.9 Ų | 47.9 | 26% | 0.26 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 133.6 | 177 | -168.2 | 169.7 | -54.4 | -151.8 | -4.4 | 111.6 | R326 V328 E333 L400 | R326-R348 HydrophobicContact CB-CB 4.38Å; R326-R348 PolarHBondContact O-N 2.89Å; V328-R348 HydrophobicContact CG2-CB 3.82Å; E333-R348 VanDerWaalsContact CD-NE 3.29Å; E333-R348 WeakPolarHBondContact OE1-CD 3.39Å; E333-R348 IonicContact OE1-CZ 2.77Å; E333-R348 IonicContact OE1-NE 2.64Å; E333-R348 PolarHBondContact OE1-NE 2.91Å; E333-R348 VanDerWaalsContact OE1-NE 3.17Å; E333-R348 IonicContact OE1-NH1 3.85Å; E333-R348 PolarHBondContact OE1-NH1 3.34Å; E333-R348 IonicContact OE1-NH2 2.63Å; E333-R348 WeakPolarHBondContact OE2-CD 3.42Å; E333-R348 IonicContact OE2-NE 2.95Å; R348-L400 HydrophobicContact CB-CD2 3.92Å; R348-L400 HydrophobicContact CG-CD2 4.05Å |
| 349 | L | 94 | Very high | 91.8 | Very high | 2 Ų | 2 | 46.2 Ų | 46.2 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 142.8 | 168.9 | -58.9 | 166.5 | 0 | 0 | 0 | 109.2 | D353 V355 V394 S398 V399 F401 | L349-D353 HydrophobicContact CD2-CB 4.15Å; L349-V355 HydrophobicContact CD1-CB 4.42Å; L349-V355 HydrophobicContact CD1-CG1 4.3Å; L349-V355 HydrophobicContact CD1-CG2 3.65Å; L349-V355 HydrophobicContact CD2-CG2 4.31Å; L349-V394 HydrophobicContact CB-CG2 3.99Å; L349-V394 HydrophobicContact CD1-CG2 4.27Å; L349-S398 VanDerWaalsContact O-CA 3.28Å; L349-S398 WeakPolarHBondContact O-CA 3.39Å; L349-S398 PolarHBondContact O-OG 2.97Å; L349-S398 VanDerWaalsContact O-OG 3.13Å; L349-V399 HydrophobicContact CB-CG2 3.81Å; L349-V399 HydrophobicContact CD1-CG2 3.76Å; L349-V399 HydrophobicContact CG-CG2 4.25Å; L349-V399 PolarHBondContact N-O 2.76Å; L349-V399 PolarHBondContact O-N 3.48Å; L349-F401 HydrophobicContact CD1-CD1 3.52Å; L349-F401 HydrophobicContact CD1-CE1 3.5Å; L349-F401 HydrophobicContact CD1-CG 4.37Å; L349-F401 HydrophobicContact CD1-CZ 4.33Å; L349-F401 HydrophobicContact CD2-CE1 3.87Å; L349-F401 HydrophobicContact CG-CD1 3.7Å; L349-F401 HydrophobicContact CG-CE1 3.47Å; L349-F401 VanDerWaalsContact CG-CE1 3.47Å |
| 350 | T | 90.4 | Very high | 92.3 | Very high | 43 Ų | 43 | 46.5 Ų | 46.5 | 26% | 0.264 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 166.8 | 171.3 | 62.2 | 0 | 0 | 0 | 0 | 109.9 | R326 G352 D353 G397 | R326-T350 PolarHBondContact NH2-OG1 3.14Å; T350-G352 PolarHBondContact O-N 2.96Å; T350-D353 WeakPolarHBondContact O-CB 3.41Å; T350-D353 PolarHBondContact O-N 3.4Å; T350-G397 CarbonylContact C-O 3.43Å |
| 351 | T | 90.8 | Very high | 92.7 | Very high | 76 Ų | 76 | 41 Ų | 41 | 47% | 0.466 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -38.6 | 124.3 | 169.5 | -53.4 | 0 | 0 | 0 | 0 | 112.9 | Q395 G397 | T351-Q395 WeakPolarHBondContact CG2-O 3.26Å; T351-G397 PolarHBondContact N-O 3.14Å; T351-G397 PolarHBondContact OG1-N 3.12Å; T351-G397 PolarHBondContact OG1-O 2.95Å |
| 352 | G | 86.7 | Confident | 92.9 | Very high | 59 Ų | 59 | 42.4 Ų | 42.4 | 61% | 0.608 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 90.8 | -14.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | T350 V394 | T350-G352 PolarHBondContact O-N 2.96Å; G352-V394 PolarHBondContact N-O 3.27Å |
| 353 | D | 90.4 | Very high | 93 | Very high | 49 Ų | 49 | 42.2 Ų | 42.2 | 26% | 0.262 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -69.6 | 150.5 | 176 | -84.6 | 23.8 | 0 | 0 | 0 | 111.6 | R326 L349 T350 V394 | R326-D353 IonicContact CZ-OD2 3.75Å; R326-D353 IonicContact NE-OD2 3.58Å; R326-D353 PolarHBondContact NE-OD2 3.43Å; R326-D353 IonicContact NH2-OD1 2.86Å; R326-D353 PolarHBondContact NH2-OD1 3.21Å; R326-D353 IonicContact NH2-OD2 2.6Å; R326-D353 PolarHBondContact NH2-OD2 2.52Å; L349-D353 HydrophobicContact CD2-CB 4.15Å; T350-D353 WeakPolarHBondContact O-CB 3.41Å; T350-D353 PolarHBondContact O-N 3.4Å; D353-V394 PolarHBondContact O-N 3.49Å |
| 354 | R | 91 | Very high | 92.9 | Very high | 89 Ų | 89 | 40.1 Ų | 40.1 | 34% | 0.336 | 23% | 0.232 | S | C | . | . | B | Isolated β-bridge | trans | -101.5 | 137.1 | 167.1 | -160 | 175.1 | -67.7 | -88.5 | 3 | 109 | L320 P356 G391 T392 V393 | L320-R354 WeakPolarHBondContact O-CD 3.3Å; R354-P356 WeakPolarHBondContact O-CD 3.46Å; R354-G391 WeakPolarHBondContact CG-O 3.25Å; R354-G391 PolarHBondContact NH1-O 2.99Å; R354-T392 CarbonylContact C-O 3.5Å; R354-T392 VanDerWaalsContact CA-O 3.31Å; R354-T392 WeakPolarHBondContact CA-O 3.49Å; R354-T392 VanDerWaalsContact CG-O 3.26Å; R354-T392 WeakPolarHBondContact CG-O 3.47Å; R354-V393 HydrophobicContact CG-CG2 4.22Å; R354-V393 VanDerWaalsContact CZ-CG2 3.47Å |
| 355 | V | 92.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -68.5 | 120.5 | -177.5 | -178 | 0 | 0 | 0 | 0 | 109.7 | L349 V357 L368 V388 H389 A390 G391 T392 F401 | L349-V355 HydrophobicContact CD1-CB 4.42Å; L349-V355 HydrophobicContact CD1-CG1 4.3Å; L349-V355 HydrophobicContact CD1-CG2 3.65Å; L349-V355 HydrophobicContact CD2-CG2 4.31Å; V355-V357 WeakPolarHBondContact CG1-O 3.45Å; V355-L368 HydrophobicContact CG2-CD2 3.83Å; V355-V388 HydrophobicContact CG1-CB 4.24Å; V355-V388 HydrophobicContact CG1-CG2 4.14Å; V355-H389 WeakPolarHBondContact CB-O 3.42Å; V355-H389 WeakPolarHBondContact CG1-O 3.46Å; V355-A390 CarbonylContact O-C 3.49Å; V355-A390 WeakPolarHBondContact O-CA 3.42Å; V355-G391 PolarHBondContact O-N 2.99Å; V355-T392 WeakPolarHBondContact CB-OG1 3.29Å; V355-T392 WeakPolarHBondContact CG2-OG1 3.26Å; V355-T392 PolarHBondContact N-O 3.1Å; V355-F401 HydrophobicContact CG1-CE2 4.48Å; V355-F401 HydrophobicContact CG1-CZ 4.21Å |
| 356 | P | 91.9 | Very high | 92.6 | Very high | 6 Ų | 6 | 41.7 Ų | 41.7 | 4% | 0.039 | 23% | 0.229 | C | C | . | . | trans | -75.6 | -36.8 | -174.5 | 25.3 | -31 | 0 | 0 | 0 | 114 | T321 P322 A325 L338 L347 R354 F401 | T321-P356 WeakPolarHBondContact CG2-O 3.5Å; P322-P356 HydrophobicContact CG-CB 3.78Å; A325-P356 HydrophobicContact CB-CB 4.02Å; A325-P356 HydrophobicContact CB-CG 3.86Å; L338-P356 HydrophobicContact CD1-CB 3.58Å; L347-P356 HydrophobicContact CD1-CG 4.1Å; R354-P356 WeakPolarHBondContact O-CD 3.46Å; P356-F401 HydrophobicContact CG-CZ 4.12Å | ||
| 357 | V | 93 | Very high | 92.4 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -144 | 161.1 | -173.7 | -61 | 0 | 0 | 0 | 0 | 109.4 | L338 V341 L347 V355 F401 A403 A405 V406 T410 | L338-V357 HydrophobicContact CD1-CG1 3.59Å; V341-V357 HydrophobicContact CG1-CG1 4.12Å; V341-V357 HydrophobicContact CG1-CG2 4.17Å; L347-V357 HydrophobicContact CD1-CG2 3.52Å; V355-V357 WeakPolarHBondContact CG1-O 3.45Å; V357-F401 HydrophobicContact CG2-CE2 3.88Å; V357-F401 HydrophobicContact CG2-CZ 4.05Å; V357-F401 WeakPolarHBondContact O-CE2 3.36Å; V357-A403 HydrophobicContact CG2-CB 3.74Å; V357-A405 WeakPolarHBondContact CB-O 3.16Å; V357-V406 HydrophobicContact CB-CG1 4.2Å; V357-V406 HydrophobicContact CG1-CB 4.26Å; V357-V406 HydrophobicContact CG1-CG1 3.99Å; V357-V406 HydrophobicContact CG2-CG1 4.46Å; V357-T410 HydrophobicContact CB-CG2 4.44Å |
| 358 | D | 92.4 | Very high | 92 | Very high | 7 Ų | 7 | 44.6 Ų | 44.6 | 4% | 0.037 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 150.2 | 174.5 | -64.3 | -1.5 | 0 | 0 | 0 | 109.8 | V388 H389 A390 S404 A405 T411 R414 | D358-V388 WeakPolarHBondContact CA-O 3.43Å; D358-H389 WeakPolarHBondContact OD1-CA 3.48Å; D358-A390 WeakPolarHBondContact OD1-CB 3.44Å; D358-A390 PolarHBondContact OD1-N 3.5Å; D358-S404 PolarHBondContact O-N 2.72Å; D358-S404 PolarHBondContact O-OG 2.94Å; D358-A405 HydrophobicContact CB-CB 4.17Å; D358-A405 PolarHBondContact N-O 2.83Å; D358-A405 VanDerWaalsContact N-O 3.16Å; D358-A405 PolarHBondContact O-N 3.32Å; D358-T411 PolarHBondContact OD1-N 2.9Å; D358-T411 VanDerWaalsContact OD2-CB 3.27Å; D358-T411 WeakPolarHBondContact OD2-CB 3.43Å; D358-T411 PolarHBondContact OD2-N 3.22Å; D358-T411 PolarHBondContact OD2-OG1 3.28Å; D358-R414 IonicContact OD2-NH2 2.62Å |
| 359 | G | 93.9 | Very high | 91.7 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -176 | -171.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | S387 V388 R402 S404 | G359-S387 CarbonylContact O-C 3.56Å; G359-S387 VanDerWaalsContact O-CA 3.29Å; G359-S387 WeakPolarHBondContact O-CA 3.44Å; G359-V388 PolarHBondContact N-O 3.35Å; G359-V388 PolarHBondContact O-N 3.22Å; G359-R402 CarbonylContact C-O 3.55Å; G359-R402 WeakPolarHBondContact CA-O 3.45Å; G359-S404 VanDerWaalsContact CA-OG 3.3Å; G359-S404 WeakPolarHBondContact CA-OG 3.5Å; G359-S404 PolarHBondContact N-OG 3.38Å |
| 360 | E | 95.6 | Very high | 91.1 | Very high | 109 Ų | 109 | 44.1 Ų | 44.1 | 51% | 0.509 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 132.5 | -178.7 | -172.1 | -176.6 | 164.1 | 0 | 0 | 109.9 | T362 F401 R402 | E360-T362 PolarHBondContact O-N 2.81Å; E360-F401 CarbonylContact O-C 3.32Å; E360-F401 WeakPolarHBondContact O-CA 3.43Å; E360-F401 WeakPolarHBondContact O-CB 3.49Å; E360-R402 PolarHBondContact N-O 2.79Å; E360-R402 PolarHBondContact O-N 2.72Å |
| 361 | I | 95.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 124.6 | 179.4 | -62.8 | 166.3 | 0 | 0 | 0 | 108.8 | K382 G383 G385 E386 V388 V399 F401 | I361-K382 HydrophobicContact CD1-CB 3.66Å; I361-G383 VanDerWaalsContact CB-O 3.29Å; I361-G383 WeakPolarHBondContact CB-O 3.23Å; I361-G383 WeakPolarHBondContact CD1-O 3.43Å; I361-G385 PolarHBondContact O-N 2.91Å; I361-E386 PolarHBondContact N-O 2.89Å; I361-V388 HydrophobicContact CD1-CG1 3.75Å; I361-V388 HydrophobicContact CG1-CG1 3.74Å; I361-V399 HydrophobicContact CD1-CG1 4.08Å; I361-V399 HydrophobicContact CG1-CB 4.28Å; I361-V399 HydrophobicContact CG1-CG1 4.32Å; I361-V399 HydrophobicContact CG1-CG2 4.42Å; I361-V399 HydrophobicContact CG2-CB 4.03Å; I361-V399 HydrophobicContact CG2-CG1 3.95Å; I361-F401 HydrophobicContact CG1-CB 4.43Å |
| 362 | T | 94.9 | Very high | 89.3 | Confident | 34 Ų | 34 | 45.9 Ų | 45.9 | 21% | 0.209 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | -26.8 | 177 | 59.3 | 0 | 0 | 0 | 0 | 112.8 | L346 E360 E384 L400 R402 | L346-T362 HydrophobicContact CD1-CG2 4.13Å; L346-T362 WeakPolarHBondContact CD1-OG1 3.39Å; E360-T362 PolarHBondContact O-N 2.81Å; T362-E384 VanDerWaalsContact O-CD 3.31Å; T362-E384 WeakPolarHBondContact O-CG 3.24Å; T362-L400 PolarHBondContact N-O 3.07Å; T362-L400 PolarHBondContact OG1-O 3.41Å; T362-R402 HydrophobicContact CG2-CB 3.93Å |
| 363 | Q | 93.5 | Very high | 88.6 | Confident | 119 Ų | 119 | 43.6 Ų | 43.6 | 56% | 0.556 | 22% | 0.22 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 144.5 | 178 | -61 | -175.3 | -8.8 | 0 | 0 | 110.6 | V399 L400 | Q363-V399 CarbonylContact O-C 3.56Å; Q363-V399 WeakPolarHBondContact O-CA 3.3Å; Q363-L400 HydrophobicContact CB-CB 4.23Å; Q363-L400 HydrophobicContact CB-CD1 4.33Å; Q363-L400 PolarHBondContact N-O 3.44Å; Q363-L400 PolarHBondContact O-N 2.79Å |
| 364 | G | 90.3 | Very high | 87.5 | Confident | 38 Ų | 38 | 42.5 Ų | 42.5 | 39% | 0.392 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 92.2 | 179.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 365 | E | 90.2 | Very high | 86.2 | Confident | 121 Ų | 121 | 39.7 Ų | 39.7 | 57% | 0.565 | 21% | 0.214 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 146.6 | 177.2 | -67.1 | -178.3 | -167 | 0 | 0 | 109.7 | Q381 K382 G397 S398 | E365-Q381 PolarHBondContact OE2-NE2 2.91Å; E365-K382 CarbonylContact C-O 3.59Å; E365-K382 VanDerWaalsContact CA-O 3.3Å; E365-K382 WeakPolarHBondContact CA-O 3.4Å; E365-G397 WeakPolarHBondContact O-CA 3.31Å; E365-S398 PolarHBondContact O-N 3.41Å |
| 366 | A | 89.4 | Confident | 84.9 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.008 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 149.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L368 K382 V394 D396 V399 | A366-L368 HydrophobicContact CB-CD1 3.97Å; A366-K382 PolarHBondContact N-O 2.93Å; A366-K382 PolarHBondContact O-N 2.95Å; A366-V394 HydrophobicContact CB-CG1 3.97Å; A366-D396 CarbonylContact C-O 3.49Å; A366-D396 VanDerWaalsContact CA-O 3.24Å; A366-D396 WeakPolarHBondContact CA-O 3.28Å; A366-V399 HydrophobicContact CB-CG1 3.66Å; A366-V399 HydrophobicContact CB-CG2 4.39Å |
| 367 | W | 92.2 | Very high | 83.8 | Confident | 110 Ų | 110 | 48.6 Ų | 48.6 | 42% | 0.417 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 116.7 | 166.9 | -69.1 | 83 | 0 | 0 | 0 | 108.8 | P379 Q380 Q381 V394 Q395 D396 | W367-P379 HydrophobicContact CE3-CB 4.34Å; W367-Q380 WeakPolarHBondContact CA-O 3.3Å; W367-Q381 HydrophobicContact CD2-CB 4.02Å; W367-Q381 HydrophobicContact CD2-CG 4.42Å; W367-Q381 HydrophobicContact CE3-CB 3.97Å; W367-Q381 HydrophobicContact CH2-CB 3.92Å; W367-Q381 HydrophobicContact CZ2-CB 3.96Å; W367-Q381 HydrophobicContact CZ2-CG 4.12Å; W367-Q381 HydrophobicContact CZ3-CB 3.93Å; W367-V394 CarbonylContact O-C 3.46Å; W367-Q395 HydrophobicContact CB-CB 4.46Å; W367-Q395 PolarHBondContact O-N 2.88Å; W367-D396 HydrophobicContact CB-CB 4.44Å; W367-D396 PolarHBondContact N-O 2.85Å |
| 368 | L | 88.6 | Confident | 83.1 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 128.2 | -178.7 | -67.1 | 102.4 | 0 | 0 | 0 | 111.6 | V355 A366 E370 P379 Q380 K382 V388 V393 V394 | V355-L368 HydrophobicContact CG2-CD2 3.83Å; A366-L368 HydrophobicContact CB-CD1 3.97Å; L368-E370 HydrophobicContact CB-CG 4.22Å; L368-E370 PolarHBondContact O-N 2.82Å; L368-P379 CarbonylContact O-C 3.54Å; L368-P379 WeakPolarHBondContact O-CA 3.49Å; L368-Q380 PolarHBondContact N-O 3.48Å; L368-Q380 PolarHBondContact O-N 3.33Å; L368-K382 HydrophobicContact CD1-CB 3.77Å; L368-K382 HydrophobicContact CD1-CD 4.01Å; L368-K382 HydrophobicContact CD1-CG 3.9Å; L368-V388 HydrophobicContact CD1-CG1 4.29Å; L368-V388 HydrophobicContact CD2-CB 4.36Å; L368-V388 HydrophobicContact CD2-CG1 3.85Å; L368-V393 CarbonylContact C-O 3.59Å; L368-V393 WeakPolarHBondContact CA-O 3.37Å; L368-V394 HydrophobicContact CD2-CG2 4.19Å; L368-V394 HydrophobicContact CG-CG2 4.38Å |
| 369 | D | 87.7 | Confident | 82.7 | Confident | 48 Ų | 48 | 55.3 Ų | 55.3 | 26% | 0.257 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 103.8 | 167 | -175.5 | -7.8 | 0 | 0 | 0 | 109.4 | A371 T392 V393 Q395 | D369-A371 WeakPolarHBondContact OD1-CB 3.37Å; D369-A371 PolarHBondContact OD1-N 2.79Å; D369-T392 WeakPolarHBondContact O-CA 3.48Å; D369-V393 HydrophobicContact CB-CB 4.39Å; D369-V393 PolarHBondContact N-O 2.78Å; D369-V393 PolarHBondContact O-N 2.87Å; D369-Q395 HydrophobicContact CB-CG 3.96Å |
| 370 | E | 82.2 | Confident | 82.2 | Confident | 13 Ų | 13 | 58.8 Ų | 58.8 | 6% | 0.061 | 32% | 0.316 | C | S | . | . | trans | -102.5 | 11.8 | 176.3 | -49.2 | -159 | 140 | 0 | 0 | 112.6 | L368 M372 L373 T374 K382 H389 T392 | L368-E370 HydrophobicContact CB-CG 4.22Å; L368-E370 PolarHBondContact O-N 2.82Å; E370-M372 PolarHBondContact O-N 3.19Å; E370-L373 PolarHBondContact O-N 3.39Å; E370-T374 HydrophobicContact CB-CG2 3.91Å; E370-T374 PolarHBondContact O-N 3.05Å; E370-T374 PolarHBondContact O-OG1 3.39Å; E370-T374 VanDerWaalsContact O-OG1 3.09Å; E370-K382 IonicContact OE1-NZ 3.66Å; E370-K382 PolarHBondContact OE1-NZ 2.98Å; E370-K382 IonicContact OE2-NZ 3.43Å; E370-K382 PolarHBondContact OE2-NZ 3.42Å; E370-H389 IonicContact OE1-CD2 3.76Å; E370-T392 HydrophobicContact CB-CG2 4.04Å; E370-T392 HydrophobicContact CG-CG2 3.64Å | ||
| 371 | A | 74.7 | Confident | 82 | Confident | 32 Ų | 32 | 58.1 Ų | 58.1 | 26% | 0.264 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -55.9 | -27.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | D369 G375 E376 | D369-A371 WeakPolarHBondContact OD1-CB 3.37Å; D369-A371 PolarHBondContact OD1-N 2.79Å; A371-G375 WeakPolarHBondContact O-CA 3.34Å; A371-G375 PolarHBondContact O-N 3.21Å; A371-E376 WeakPolarHBondContact CA-O 3.32Å; A371-E376 WeakPolarHBondContact CB-O 3.08Å |
| 372 | M | 68.9 | Low | 81.7 | Confident | 123 Ų | 123 | 59 Ų | 59 | 61% | 0.606 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -73.6 | -24.8 | 177.2 | -68.4 | -64.8 | -123 | 0 | 0 | 113.8 | L320 E370 | L320-M372 HydrophobicContact CD1-CB 4.49Å; L320-M372 HydrophobicContact CD1-CE 4.31Å; L320-M372 HydrophobicContact CD2-CE 4.33Å; E370-M372 PolarHBondContact O-N 3.19Å |
| 373 | L | 71 | Confident | 81.5 | Confident | 11 Ų | 11 | 57.8 Ų | 57.8 | 6% | 0.058 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -99.9 | -47.7 | 179 | -63.2 | 178.5 | 0 | 0 | 0 | 110.6 | E370 H389 T392 L412 I415 M753 | E370-L373 PolarHBondContact O-N 3.39Å; L373-H389 HydrophobicContact CD1-CB 3.49Å; L373-H389 VanDerWaalsContact CD1-CB 3.49Å; L373-T392 HydrophobicContact CD1-CG2 3.52Å; L373-T392 HydrophobicContact CG-CG2 4.4Å; L373-L412 HydrophobicContact CD2-CD1 4.44Å; L373-I415 HydrophobicContact CD2-CD1 3.42Å; L373-I415 VanDerWaalsContact CD2-CD1 3.42Å; L373-M753 HydrophobicContact CB-CE 3.67Å; L373-M753 HydrophobicContact CD2-CE 3.96Å; L373-M753 HydrophobicContact CG-CE 4.38Å; L373-M753 WeakPolarHBondContact O-CE 3.43Å |
| 374 | T | 66.6 | Low | 81.5 | Confident | 26 Ų | 26 | 59.4 Ų | 59.4 | 16% | 0.16 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -91.7 | -21.4 | -175.1 | 67.5 | 0 | 0 | 0 | 0 | 112.1 | E370 E376 R754 | E370-T374 HydrophobicContact CB-CG2 3.91Å; E370-T374 PolarHBondContact O-N 3.05Å; E370-T374 PolarHBondContact O-OG1 3.39Å; E370-T374 VanDerWaalsContact O-OG1 3.09Å; T374-E376 PolarHBondContact O-N 2.94Å; T374-E376 PolarHBondContact OG1-N 3.34Å; T374-R754 WeakPolarHBondContact O-CD 3.37Å; T374-R754 WeakPolarHBondContact O-CG 3.31Å |
| 375 | G | 63.7 | Low | 81.4 | Confident | 31 Ų | 31 | 59.6 Ų | 59.6 | 32% | 0.32 | 32% | 0.322 | S | S | . | . | trans | 73.3 | 0.7 | -171 | 0 | 0 | 0 | 0 | 0 | 114 | A371 | A371-G375 WeakPolarHBondContact O-CA 3.34Å; A371-G375 PolarHBondContact O-N 3.21Å | ||
| 376 | E | 66.4 | Low | 81.4 | Confident | 79 Ų | 79 | 58.3 Ų | 58.3 | 37% | 0.369 | 32% | 0.316 | S | S | . | . | trans | -81.9 | 122.4 | 175.9 | -64.7 | -170.8 | 167 | 0 | 0 | 110 | A371 T374 I378 Q380 | A371-E376 WeakPolarHBondContact CA-O 3.32Å; A371-E376 WeakPolarHBondContact CB-O 3.08Å; T374-E376 PolarHBondContact O-N 2.94Å; T374-E376 PolarHBondContact OG1-N 3.34Å; E376-I378 PolarHBondContact O-N 3.13Å; E376-Q380 PolarHBondContact OE2-NE2 3.46Å | ||
| 377 | P | 69.2 | Low | 81.5 | Confident | 114 Ų | 114 | 61 Ų | 61 | 74% | 0.74 | 34% | 0.335 | S | S | * | . | trans | -77.1 | -9.4 | -173.9 | 31 | -35.4 | 0 | 0 | 0 | 113.8 | ||||
| 378 | I | 78.7 | Confident | 81.5 | Confident | 121 Ų | 121 | 55.8 Ų | 55.8 | 62% | 0.621 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -96.6 | 127.3 | -176.1 | -56.2 | 177.5 | 0 | 0 | 0 | 108.1 | E376 | E376-I378 PolarHBondContact O-N 3.13Š|
| 379 | P | 83.1 | Confident | 81.5 | Confident | 27 Ų | 27 | 58.2 Ų | 58.2 | 18% | 0.175 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -59.5 | 139.6 | 173.9 | -20.9 | 31.9 | 0 | 0 | 0 | 111.5 | W367 L368 Q395 | W367-P379 HydrophobicContact CE3-CB 4.34Å; L368-P379 CarbonylContact O-C 3.54Å; L368-P379 WeakPolarHBondContact O-CA 3.49Å; P379-Q395 HydrophobicContact CG-CG 4.36Å |
| 380 | Q | 82.6 | Confident | 81.5 | Confident | 76 Ų | 76 | 55.9 Ų | 55.9 | 36% | 0.355 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 130.8 | 179.3 | -63.6 | -66.6 | -11 | 0 | 0 | 109.4 | W367 L368 E376 | W367-Q380 WeakPolarHBondContact CA-O 3.3Å; L368-Q380 PolarHBondContact N-O 3.48Å; L368-Q380 PolarHBondContact O-N 3.33Å; E376-Q380 PolarHBondContact OE2-NE2 3.46Å |
| 381 | Q | 91.5 | Very high | 81.7 | Confident | 96 Ų | 96 | 55.4 Ų | 55.4 | 45% | 0.449 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 129.9 | 171.9 | -174.3 | 178.1 | 0.6 | 0 | 0 | 108.8 | E365 W367 | E365-Q381 PolarHBondContact OE2-NE2 2.91Å; W367-Q381 HydrophobicContact CD2-CB 4.02Å; W367-Q381 HydrophobicContact CD2-CG 4.42Å; W367-Q381 HydrophobicContact CE3-CB 3.97Å; W367-Q381 HydrophobicContact CH2-CB 3.92Å; W367-Q381 HydrophobicContact CZ2-CB 3.96Å; W367-Q381 HydrophobicContact CZ2-CG 4.12Å; W367-Q381 HydrophobicContact CZ3-CB 3.93Å |
| 382 | K | 90.5 | Very high | 82.3 | Confident | 18 Ų | 18 | 54 Ų | 54 | 8% | 0.078 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 141.7 | 176.6 | -59.8 | -163.2 | 175.9 | 176 | 0 | 112.8 | I361 E365 A366 L368 E370 E386 S387 | I361-K382 HydrophobicContact CD1-CB 3.66Å; E365-K382 CarbonylContact C-O 3.59Å; E365-K382 VanDerWaalsContact CA-O 3.3Å; E365-K382 WeakPolarHBondContact CA-O 3.4Å; A366-K382 PolarHBondContact N-O 2.93Å; A366-K382 PolarHBondContact O-N 2.95Å; L368-K382 HydrophobicContact CD1-CB 3.77Å; L368-K382 HydrophobicContact CD1-CD 4.01Å; L368-K382 HydrophobicContact CD1-CG 3.9Å; E370-K382 IonicContact OE1-NZ 3.66Å; E370-K382 PolarHBondContact OE1-NZ 2.98Å; E370-K382 IonicContact OE2-NZ 3.43Å; E370-K382 PolarHBondContact OE2-NZ 3.42Å; K382-E386 WeakPolarHBondContact CA-OE2 3.08Å; K382-E386 HydrophobicContact CB-CB 4.17Å; K382-E386 HydrophobicContact CD-CB 4.39Å; K382-E386 HydrophobicContact CG-CB 4.49Å; K382-S387 WeakPolarHBondContact CD-O 3.44Å; K382-S387 WeakPolarHBondContact CE-O 3.5Å; K382-S387 PolarHBondContact NZ-O 2.93Å |
| 383 | G | 91.1 | Very high | 83.4 | Confident | 10 Ų | 10 | 49.8 Ų | 49.8 | 10% | 0.103 | 28% | 0.281 | C | S | . | . | trans | -129.4 | -164.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | I361 G385 E386 | I361-G383 VanDerWaalsContact CB-O 3.29Å; I361-G383 WeakPolarHBondContact CB-O 3.23Å; I361-G383 WeakPolarHBondContact CD1-O 3.43Å; G383-G385 PolarHBondContact O-N 3.21Å; G383-E386 PolarHBondContact N-OE2 3.45Å; G383-E386 WeakPolarHBondContact O-CB 3.24Å; G383-E386 PolarHBondContact O-N 3.45Å; G383-E386 VanDerWaalsContact O-N 3.15Å | ||
| 384 | E | 92.8 | Very high | 84.3 | Confident | 152 Ų | 152 | 49.3 Ų | 49.3 | 71% | 0.71 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | 131.7 | -178.7 | -171.5 | 173.5 | 168.5 | 0 | 0 | 112.4 | T362 E386 | T362-E384 VanDerWaalsContact O-CD 3.31Å; T362-E384 WeakPolarHBondContact O-CG 3.24Å; E384-E386 VanDerWaalsContact C-N 3.34Å |
| 385 | G | 88.3 | Confident | 85.3 | Confident | 43 Ų | 43 | 52.7 Ų | 52.7 | 44% | 0.443 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | -9.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | I361 G383 | I361-G385 PolarHBondContact O-N 2.91Å; G383-G385 PolarHBondContact O-N 3.21Å |
| 386 | E | 91.2 | Very high | 86.3 | Confident | 93 Ų | 93 | 55.9 Ų | 55.9 | 44% | 0.435 | 30% | 0.302 | S | S | . | . | trans | -89.1 | 148.7 | 178.6 | -65 | -173.5 | 104.9 | 0 | 0 | 112.5 | I361 K382 G383 E384 | I361-E386 PolarHBondContact N-O 2.89Å; K382-E386 WeakPolarHBondContact CA-OE2 3.08Å; K382-E386 HydrophobicContact CB-CB 4.17Å; K382-E386 HydrophobicContact CD-CB 4.39Å; K382-E386 HydrophobicContact CG-CB 4.49Å; G383-E386 PolarHBondContact N-OE2 3.45Å; G383-E386 WeakPolarHBondContact O-CB 3.24Å; G383-E386 PolarHBondContact O-N 3.45Å; G383-E386 VanDerWaalsContact O-N 3.15Å; E384-E386 VanDerWaalsContact C-N 3.34Å | ||
| 387 | S | 90.3 | Very high | 87.3 | Confident | 58 Ų | 58 | 53.2 Ų | 53.2 | 41% | 0.406 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 144.6 | -178 | 58 | 0 | 0 | 0 | 0 | 112.4 | G359 K382 | G359-S387 CarbonylContact O-C 3.56Å; G359-S387 VanDerWaalsContact O-CA 3.29Å; G359-S387 WeakPolarHBondContact O-CA 3.44Å; K382-S387 WeakPolarHBondContact CD-O 3.44Å; K382-S387 WeakPolarHBondContact CE-O 3.5Å; K382-S387 PolarHBondContact NZ-O 2.93Å |
| 388 | V | 91.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 143.5 | 170 | -67.4 | 0 | 0 | 0 | 0 | 109.8 | V355 D358 G359 I361 L368 F401 | V355-V388 HydrophobicContact CG1-CB 4.24Å; V355-V388 HydrophobicContact CG1-CG2 4.14Å; D358-V388 WeakPolarHBondContact CA-O 3.43Å; G359-V388 PolarHBondContact N-O 3.35Å; G359-V388 PolarHBondContact O-N 3.22Å; I361-V388 HydrophobicContact CD1-CG1 3.75Å; I361-V388 HydrophobicContact CG1-CG1 3.74Å; L368-V388 HydrophobicContact CD1-CG1 4.29Å; L368-V388 HydrophobicContact CD2-CB 4.36Å; L368-V388 HydrophobicContact CD2-CG1 3.85Å; V388-F401 HydrophobicContact CG2-CB 4.05Å; V388-F401 HydrophobicContact CG2-CD2 3.44Å; V388-F401 VanDerWaalsContact CG2-CD2 3.44Å; V388-F401 HydrophobicContact CG2-CE2 3.92Å; V388-F401 HydrophobicContact CG2-CG 3.77Å |
| 389 | H | 89.6 | Confident | 89 | Confident | 51 Ų | 51 | 44.8 Ų | 44.8 | 24% | 0.236 | 25% | 0.25 | C | S | . | . | trans | -115.8 | 141.7 | -175 | -60.1 | -66.4 | 0 | 0 | 0 | 111.7 | V355 D358 E370 L373 G391 T392 | V355-H389 WeakPolarHBondContact CB-O 3.42Å; V355-H389 WeakPolarHBondContact CG1-O 3.46Å; D358-H389 WeakPolarHBondContact OD1-CA 3.48Å; E370-H389 IonicContact OE1-CD2 3.76Å; L373-H389 HydrophobicContact CD1-CB 3.49Å; L373-H389 VanDerWaalsContact CD1-CB 3.49Å; H389-G391 PolarHBondContact O-N 2.95Å; H389-T392 HydrophobicContact CB-CG2 4.07Å; H389-T392 WeakPolarHBondContact O-CB 3.29Å; H389-T392 VanDerWaalsContact O-CG2 3.24Å; H389-T392 WeakPolarHBondContact O-CG2 3.16Å; H389-T392 PolarHBondContact O-N 3.29Å; H389-T392 PolarHBondContact O-OG1 2.77Å | ||
| 390 | A | 88.7 | Confident | 89.6 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 137.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V355 D358 T392 T410 L412 | V355-A390 CarbonylContact O-C 3.49Å; V355-A390 WeakPolarHBondContact O-CA 3.42Å; D358-A390 WeakPolarHBondContact OD1-CB 3.44Å; D358-A390 PolarHBondContact OD1-N 3.5Å; A390-T392 VanDerWaalsContact C-N 3.34Å; A390-T410 HydrophobicContact CB-CG2 4.17Å; A390-L412 HydrophobicContact CB-CB 4.14Å |
| 391 | G | 85.5 | Confident | 90.2 | Very high | 2 Ų | 2 | 41 Ų | 41 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.9 | -15.6 | 179 | 0 | 0 | 0 | 0 | 0 | 115.8 | L320 R354 V355 H389 | L320-G391 WeakPolarHBondContact O-CA 3.42Å; R354-G391 WeakPolarHBondContact CG-O 3.25Å; R354-G391 PolarHBondContact NH1-O 2.99Å; V355-G391 PolarHBondContact O-N 2.99Å; H389-G391 PolarHBondContact O-N 2.95Å |
| 392 | T | 88.2 | Confident | 90.5 | Very high | 4 Ų | 4 | 42.5 Ų | 42.5 | 3% | 0.025 | 23% | 0.233 | C | C | . | . | trans | -66.1 | 153.9 | 172.1 | 62.3 | 0 | 0 | 0 | 0 | 110.9 | R354 V355 D369 E370 L373 H389 A390 | R354-T392 CarbonylContact C-O 3.5Å; R354-T392 VanDerWaalsContact CA-O 3.31Å; R354-T392 WeakPolarHBondContact CA-O 3.49Å; R354-T392 VanDerWaalsContact CG-O 3.26Å; R354-T392 WeakPolarHBondContact CG-O 3.47Å; V355-T392 WeakPolarHBondContact CB-OG1 3.29Å; V355-T392 WeakPolarHBondContact CG2-OG1 3.26Å; V355-T392 PolarHBondContact N-O 3.1Å; D369-T392 WeakPolarHBondContact O-CA 3.48Å; E370-T392 HydrophobicContact CB-CG2 4.04Å; E370-T392 HydrophobicContact CG-CG2 3.64Å; L373-T392 HydrophobicContact CD1-CG2 3.52Å; L373-T392 HydrophobicContact CG-CG2 4.4Å; H389-T392 HydrophobicContact CB-CG2 4.07Å; H389-T392 WeakPolarHBondContact O-CB 3.29Å; H389-T392 VanDerWaalsContact O-CG2 3.24Å; H389-T392 WeakPolarHBondContact O-CG2 3.16Å; H389-T392 PolarHBondContact O-N 3.29Å; H389-T392 PolarHBondContact O-OG1 2.77Å; A390-T392 VanDerWaalsContact C-N 3.34Å | ||
| 393 | V | 90.2 | Very high | 90.7 | Very high | 34 Ų | 34 | 41.8 Ų | 41.8 | 21% | 0.206 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 128.9 | -176.8 | -178.4 | 0 | 0 | 0 | 0 | 109.9 | R354 L368 D369 Q395 | R354-V393 HydrophobicContact CG-CG2 4.22Å; R354-V393 VanDerWaalsContact CZ-CG2 3.47Å; L368-V393 CarbonylContact C-O 3.59Å; L368-V393 WeakPolarHBondContact CA-O 3.37Å; D369-V393 HydrophobicContact CB-CB 4.39Å; D369-V393 PolarHBondContact N-O 2.78Å; D369-V393 PolarHBondContact O-N 2.87Å; V393-Q395 PolarHBondContact O-N 2.83Å |
| 394 | V | 91.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 108.4 | 171.2 | -179.3 | 0 | 0 | 0 | 0 | 108.3 | L349 G352 D353 A366 W367 L368 D396 | L349-V394 HydrophobicContact CB-CG2 3.99Å; L349-V394 HydrophobicContact CD1-CG2 4.27Å; G352-V394 PolarHBondContact N-O 3.27Å; D353-V394 PolarHBondContact O-N 3.49Å; A366-V394 HydrophobicContact CB-CG1 3.97Å; W367-V394 CarbonylContact O-C 3.46Å; L368-V394 HydrophobicContact CD2-CG2 4.19Å; L368-V394 HydrophobicContact CG-CG2 4.38Å; V394-D396 WeakPolarHBondContact CG1-O 3.48Å |
| 395 | Q | 86.7 | Confident | 90.5 | Very high | 98 Ų | 98 | 38.4 Ų | 38.4 | 46% | 0.458 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | -36.4 | 176.8 | -69.3 | -155.4 | -4.7 | 0 | 0 | 112.5 | T351 W367 D369 P379 V393 | T351-Q395 WeakPolarHBondContact CG2-O 3.26Å; W367-Q395 HydrophobicContact CB-CB 4.46Å; W367-Q395 PolarHBondContact O-N 2.88Å; D369-Q395 HydrophobicContact CB-CG 3.96Å; P379-Q395 HydrophobicContact CG-CG 4.36Å; V393-Q395 PolarHBondContact O-N 2.83Å |
| 396 | D | 85.7 | Confident | 90.5 | Very high | 97 Ų | 97 | 37.7 Ų | 37.7 | 52% | 0.519 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 153.3 | 177.2 | -166.4 | 26.1 | 0 | 0 | 0 | 110.8 | A366 W367 V394 | A366-D396 CarbonylContact C-O 3.49Å; A366-D396 VanDerWaalsContact CA-O 3.24Å; A366-D396 WeakPolarHBondContact CA-O 3.28Å; W367-D396 HydrophobicContact CB-CB 4.44Å; W367-D396 PolarHBondContact N-O 2.85Å; V394-D396 WeakPolarHBondContact CG1-O 3.48Å |
| 397 | G | 86.5 | Confident | 90 | Very high | 23 Ų | 23 | 35.5 Ų | 35.5 | 24% | 0.237 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 94.6 | -175.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | T350 T351 E365 | T350-G397 CarbonylContact C-O 3.43Å; T351-G397 PolarHBondContact N-O 3.14Å; T351-G397 PolarHBondContact OG1-N 3.12Å; T351-G397 PolarHBondContact OG1-O 2.95Å; E365-G397 WeakPolarHBondContact O-CA 3.31Å |
| 398 | S | 90.6 | Very high | 89.1 | Confident | 57 Ų | 57 | 36.4 Ų | 36.4 | 40% | 0.399 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 131.6 | -179.2 | 179.1 | 0 | 0 | 0 | 0 | 109.1 | L349 E365 | L349-S398 VanDerWaalsContact O-CA 3.28Å; L349-S398 WeakPolarHBondContact O-CA 3.39Å; L349-S398 PolarHBondContact O-OG 2.97Å; L349-S398 VanDerWaalsContact O-OG 3.13Å; E365-S398 PolarHBondContact O-N 3.41Å |
| 399 | V | 93.2 | Very high | 88.4 | Confident | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 145.6 | -178.1 | -67.1 | 0 | 0 | 0 | 0 | 111.2 | L349 I361 Q363 A366 | L349-V399 HydrophobicContact CB-CG2 3.81Å; L349-V399 HydrophobicContact CD1-CG2 3.76Å; L349-V399 HydrophobicContact CG-CG2 4.25Å; L349-V399 PolarHBondContact N-O 2.76Å; L349-V399 PolarHBondContact O-N 3.48Å; I361-V399 HydrophobicContact CD1-CG1 4.08Å; I361-V399 HydrophobicContact CG1-CB 4.28Å; I361-V399 HydrophobicContact CG1-CG1 4.32Å; I361-V399 HydrophobicContact CG1-CG2 4.42Å; I361-V399 HydrophobicContact CG2-CB 4.03Å; I361-V399 HydrophobicContact CG2-CG1 3.95Å; Q363-V399 CarbonylContact O-C 3.56Å; Q363-V399 WeakPolarHBondContact O-CA 3.3Å; A366-V399 HydrophobicContact CB-CG1 3.66Å; A366-V399 HydrophobicContact CB-CG2 4.39Å |
| 400 | L | 95.7 | Very high | 88.1 | Confident | 24 Ų | 24 | 38.7 Ų | 38.7 | 13% | 0.126 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 124.2 | 161.5 | -67.6 | 172.3 | 0 | 0 | 0 | 107.5 | V328 L346 L347 R348 T362 Q363 | V328-L400 HydrophobicContact CB-CD2 4.43Å; V328-L400 HydrophobicContact CG2-CD2 3.62Å; L346-L400 HydrophobicContact CD1-CB 4.31Å; L346-L400 HydrophobicContact CD2-CB 4.46Å; L346-L400 HydrophobicContact CD2-CD1 4.36Å; L346-L400 HydrophobicContact CD2-CD2 4.42Å; L346-L400 HydrophobicContact CG-CB 4.43Å; L347-L400 WeakPolarHBondContact O-CA 3.39Å; R348-L400 HydrophobicContact CB-CD2 3.92Å; R348-L400 HydrophobicContact CG-CD2 4.05Å; T362-L400 PolarHBondContact N-O 3.07Å; T362-L400 PolarHBondContact OG1-O 3.41Å; Q363-L400 HydrophobicContact CB-CB 4.23Å; Q363-L400 HydrophobicContact CB-CD1 4.33Å; Q363-L400 PolarHBondContact N-O 3.44Å; Q363-L400 PolarHBondContact O-N 2.79Å |
| 401 | F | 95.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 145.3 | -178.7 | 81.1 | -79.8 | 0 | 0 | 0 | 110.7 | L347 L349 V355 P356 V357 E360 I361 V388 | L347-F401 HydrophobicContact CB-CD1 3.9Å; L347-F401 HydrophobicContact CB-CE1 3.37Å; L347-F401 HydrophobicContact CB-CE2 4.49Å; L347-F401 HydrophobicContact CB-CZ 3.73Å; L347-F401 HydrophobicContact CD1-CE1 4.1Å; L347-F401 HydrophobicContact CD1-CE2 4.13Å; L347-F401 HydrophobicContact CD1-CZ 3.56Å; L347-F401 HydrophobicContact CG-CE1 4.37Å; L347-F401 HydrophobicContact CG-CZ 4.26Å; L347-F401 PolarHBondContact N-O 3.22Å; L347-F401 WeakPolarHBondContact O-CD1 3.24Å; L347-F401 PolarHBondContact O-N 3.33Å; L349-F401 HydrophobicContact CD1-CD1 3.52Å; L349-F401 HydrophobicContact CD1-CE1 3.5Å; L349-F401 HydrophobicContact CD1-CG 4.37Å; L349-F401 HydrophobicContact CD1-CZ 4.33Å; L349-F401 HydrophobicContact CD2-CE1 3.87Å; L349-F401 HydrophobicContact CG-CD1 3.7Å; L349-F401 HydrophobicContact CG-CE1 3.47Å; L349-F401 VanDerWaalsContact CG-CE1 3.47Å; V355-F401 HydrophobicContact CG1-CE2 4.48Å; V355-F401 HydrophobicContact CG1-CZ 4.21Å; P356-F401 HydrophobicContact CG-CZ 4.12Å; V357-F401 HydrophobicContact CG2-CE2 3.88Å; V357-F401 HydrophobicContact CG2-CZ 4.05Å; V357-F401 WeakPolarHBondContact O-CE2 3.36Å; E360-F401 CarbonylContact O-C 3.32Å; E360-F401 WeakPolarHBondContact O-CA 3.43Å; E360-F401 WeakPolarHBondContact O-CB 3.49Å; I361-F401 HydrophobicContact CG1-CB 4.43Å; V388-F401 HydrophobicContact CG2-CB 4.05Å; V388-F401 HydrophobicContact CG2-CD2 3.44Å; V388-F401 VanDerWaalsContact CG2-CD2 3.44Å; V388-F401 HydrophobicContact CG2-CE2 3.92Å; V388-F401 HydrophobicContact CG2-CG 3.77Å |
| 402 | R | 96.5 | Very high | 87.4 | Confident | 128 Ų | 128 | 40 Ų | 40 | 48% | 0.483 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 124 | 176.7 | -174.7 | -176.8 | -56.9 | -79.9 | 1.6 | 108.8 | G344 M345 G359 E360 T362 S404 | G344-R402 PolarHBondContact O-NH1 3.08Å; G344-R402 VanDerWaalsContact O-NH1 3.09Å; M345-R402 WeakPolarHBondContact O-CA 3.27Å; G359-R402 CarbonylContact C-O 3.55Å; G359-R402 WeakPolarHBondContact CA-O 3.45Å; E360-R402 PolarHBondContact N-O 2.79Å; E360-R402 PolarHBondContact O-N 2.72Å; T362-R402 HydrophobicContact CG2-CB 3.93Å; R402-S404 PolarHBondContact O-N 2.7Å |
| 403 | A | 95.6 | Very high | 86.8 | Confident | 2 Ų | 2 | 41.3 Ų | 41.3 | 2% | 0.017 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.5 | 126.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | V341 P343 G344 M345 L347 V357 V406 | V341-A403 HydrophobicContact CG1-CB 4.25Å; P343-A403 CarbonylContact C-O 3.6Å; P343-A403 WeakPolarHBondContact CA-O 3.22Å; G344-A403 PolarHBondContact N-O 2.95Å; M345-A403 PolarHBondContact O-N 3.19Å; L347-A403 HydrophobicContact CD1-CB 4.36Å; V357-A403 HydrophobicContact CG2-CB 3.74Å; A403-V406 HydrophobicContact CB-CG1 4.27Å |
| 404 | S | 92.1 | Very high | 85.8 | Confident | 75 Ų | 75 | 43.4 Ų | 43.4 | 52% | 0.524 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | -40.3 | 177 | 63.6 | 0 | 0 | 0 | 0 | 111.7 | D358 G359 R402 | D358-S404 PolarHBondContact O-N 2.72Å; D358-S404 PolarHBondContact O-OG 2.94Å; G359-S404 VanDerWaalsContact CA-OG 3.3Å; G359-S404 WeakPolarHBondContact CA-OG 3.5Å; G359-S404 PolarHBondContact N-OG 3.38Å; R402-S404 PolarHBondContact O-N 2.7Å |
| 405 | A | 87.1 | Confident | 84.7 | Confident | 17 Ų | 17 | 43.9 Ų | 43.9 | 14% | 0.14 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 131.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V357 D358 H409 T410 | V357-A405 WeakPolarHBondContact CB-O 3.16Å; D358-A405 HydrophobicContact CB-CB 4.17Å; D358-A405 PolarHBondContact N-O 2.83Å; D358-A405 VanDerWaalsContact N-O 3.16Å; D358-A405 PolarHBondContact O-N 3.32Å; A405-H409 HydrophobicContact CB-CB 4.17Å; A405-H409 VanDerWaalsContact CB-O 3.27Å; A405-H409 WeakPolarHBondContact CB-O 3.38Å; A405-T410 WeakPolarHBondContact O-CG2 3.09Å |
| 406 | V | 88 | Confident | 83.8 | Confident | 27 Ų | 27 | 39.5 Ų | 39.5 | 16% | 0.164 | 23% | 0.233 | C | C | . | . | trans | -125.3 | 162.9 | -174.1 | -54.9 | 0 | 0 | 0 | 0 | 111.1 | V341 P343 V357 A403 S408 H409 | V341-V406 HydrophobicContact CG1-CG1 3.98Å; P343-V406 HydrophobicContact CG-CG1 4.39Å; P343-V406 HydrophobicContact CG-CG2 4.06Å; V357-V406 HydrophobicContact CB-CG1 4.2Å; V357-V406 HydrophobicContact CG1-CB 4.26Å; V357-V406 HydrophobicContact CG1-CG1 3.99Å; V357-V406 HydrophobicContact CG2-CG1 4.46Å; A403-V406 HydrophobicContact CB-CG1 4.27Å; V406-S408 PolarHBondContact O-N 3.13Å; V406-H409 WeakPolarHBondContact O-CB 3.35Å; V406-H409 PolarHBondContact O-N 2.8Å; V406-H409 VanDerWaalsContact O-N 3.09Å | ||
| 407 | G | 81 | Confident | 82.9 | Confident | 48 Ų | 48 | 40.9 Ų | 40.9 | 50% | 0.495 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | 59 | -126.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | H409 T410 S413 | G407-H409 PolarHBondContact O-N 2.76Å; G407-T410 PolarHBondContact O-N 3.23Å; G407-T410 PolarHBondContact O-OG1 2.96Å; G407-S413 WeakPolarHBondContact O-CB 2.88Å; G407-S413 PolarHBondContact O-OG 3.38Å |
| 408 | S | 71.9 | Confident | 81.8 | Confident | 76 Ų | 76 | 40.8 Ų | 40.8 | 53% | 0.531 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -68.2 | -15.2 | 179.4 | 55.2 | 0 | 0 | 0 | 0 | 113.8 | V406 S413 | V406-S408 PolarHBondContact O-N 3.13Å; S408-S413 WeakPolarHBondContact O-CB 3.37Å |
| 409 | H | 76.9 | Confident | 80.5 | Confident | 96 Ų | 96 | 38.2 Ų | 38.2 | 44% | 0.444 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -92.7 | -0.9 | -177.7 | -57.7 | -77 | 0 | 0 | 0 | 113.9 | A405 V406 G407 R414 | A405-H409 HydrophobicContact CB-CB 4.17Å; A405-H409 VanDerWaalsContact CB-O 3.27Å; A405-H409 WeakPolarHBondContact CB-O 3.38Å; V406-H409 WeakPolarHBondContact O-CB 3.35Å; V406-H409 PolarHBondContact O-N 2.8Å; V406-H409 VanDerWaalsContact O-N 3.09Å; G407-H409 PolarHBondContact O-N 2.76Å; H409-R414 PolarHBondContact O-NH1 3.3Å |
| 410 | T | 83.1 | Confident | 79.2 | Confident | 4 Ų | 4 | 40.3 Ų | 40.3 | 3% | 0.025 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -68.5 | 154.3 | 172.2 | 64.5 | 0 | 0 | 0 | 0 | 111 | V357 A390 A405 G407 L412 S413 R414 | V357-T410 HydrophobicContact CB-CG2 4.44Å; A390-T410 HydrophobicContact CB-CG2 4.17Å; A405-T410 WeakPolarHBondContact O-CG2 3.09Å; G407-T410 PolarHBondContact O-N 3.23Å; G407-T410 PolarHBondContact O-OG1 2.96Å; T410-L412 VanDerWaalsContact C-N 3.26Å; T410-L412 PolarHBondContact O-N 3.5Å; T410-S413 PolarHBondContact O-N 3.4Å; T410-S413 VanDerWaalsContact OG1-CB 3.23Å; T410-S413 WeakPolarHBondContact OG1-CB 3.32Å; T410-S413 PolarHBondContact OG1-N 3.42Å; T410-S413 VanDerWaalsContact OG1-N 3.08Å; T410-S413 PolarHBondContact OG1-OG 3.1Å; T410-R414 PolarHBondContact O-N 3.02Å |
| 411 | T | 78.5 | Confident | 77.7 | Confident | 25 Ų | 25 | 41.3 Ų | 41.3 | 15% | 0.153 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -57.4 | -42.6 | 175.8 | -62.2 | 0 | 0 | 0 | 0 | 111 | D358 R414 I415 M753 | D358-T411 PolarHBondContact OD1-N 2.9Å; D358-T411 VanDerWaalsContact OD2-CB 3.27Å; D358-T411 WeakPolarHBondContact OD2-CB 3.43Å; D358-T411 PolarHBondContact OD2-N 3.22Å; D358-T411 PolarHBondContact OD2-OG1 3.28Å; T411-R414 PolarHBondContact O-N 3.38Å; T411-R414 PolarHBondContact OG1-NH2 3.46Å; T411-I415 HydrophobicContact CG2-CD1 4.14Å; T411-I415 WeakPolarHBondContact O-CD1 3.37Å; T411-I415 VanDerWaalsContact O-CG1 3.26Å; T411-I415 WeakPolarHBondContact O-CG1 3.43Å; T411-I415 PolarHBondContact O-N 3.18Å; T411-M753 HydrophobicContact CG2-CE 4.46Å |
| 412 | L | 80.4 | Confident | 75.9 | Confident | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.9 | -46 | 175.7 | -177.1 | 59.2 | 0 | 0 | 0 | 112.5 | L320 T321 L373 A390 T410 R414 I415 I416 | L320-L412 HydrophobicContact CB-CD2 4.08Å; T321-L412 VanDerWaalsContact OG1-CD2 3.3Å; T321-L412 WeakPolarHBondContact OG1-CD2 3.39Å; L373-L412 HydrophobicContact CD2-CD1 4.44Å; A390-L412 HydrophobicContact CB-CB 4.14Å; T410-L412 VanDerWaalsContact C-N 3.26Å; T410-L412 PolarHBondContact O-N 3.5Å; L412-R414 VanDerWaalsContact C-N 3.32Å; L412-R414 PolarHBondContact O-N 2.89Å; L412-I415 WeakPolarHBondContact O-CB 3.41Å; L412-I415 PolarHBondContact O-N 2.87Å; L412-I416 HydrophobicContact CD1-CD1 3.83Å; L412-I416 HydrophobicContact CD1-CG1 4.37Å; L412-I416 HydrophobicContact CG-CD1 3.81Å; L412-I416 WeakPolarHBondContact O-CD1 3.47Å; L412-I416 VanDerWaalsContact O-CG1 3.26Å; L412-I416 WeakPolarHBondContact O-CG1 3.5Å; L412-I416 PolarHBondContact O-N 3.47Å |
| 413 | S | 75.3 | Confident | 74.3 | Confident | 32 Ų | 32 | 36.8 Ų | 36.8 | 22% | 0.224 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.7 | -39.8 | 175.9 | -72 | 0 | 0 | 0 | 0 | 112.2 | G407 S408 T410 I416 R417 | G407-S413 WeakPolarHBondContact O-CB 2.88Å; G407-S413 PolarHBondContact O-OG 3.38Å; S408-S413 WeakPolarHBondContact O-CB 3.37Å; T410-S413 PolarHBondContact O-N 3.4Å; T410-S413 VanDerWaalsContact OG1-CB 3.23Å; T410-S413 WeakPolarHBondContact OG1-CB 3.32Å; T410-S413 PolarHBondContact OG1-N 3.42Å; T410-S413 VanDerWaalsContact OG1-N 3.08Å; T410-S413 PolarHBondContact OG1-OG 3.1Å; S413-I416 PolarHBondContact O-N 2.94Å; S413-R417 WeakPolarHBondContact O-CB 3.48Å; S413-R417 PolarHBondContact O-N 3.22Å |
| 414 | R | 69.3 | Low | 72.7 | Confident | 78 Ų | 78 | 39.1 Ų | 39.1 | 29% | 0.294 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.7 | -46.5 | 174.4 | -75.3 | -166.9 | -68.9 | -90.7 | -7.9 | 112.2 | D358 H409 T410 T411 L412 I416 R417 M418 | D358-R414 IonicContact OD2-NH2 2.62Å; H409-R414 PolarHBondContact O-NH1 3.3Å; T410-R414 PolarHBondContact O-N 3.02Å; T411-R414 PolarHBondContact O-N 3.38Å; T411-R414 PolarHBondContact OG1-NH2 3.46Å; L412-R414 VanDerWaalsContact C-N 3.32Å; L412-R414 PolarHBondContact O-N 2.89Å; R414-I416 VanDerWaalsContact C-N 3.32Å; R414-I416 PolarHBondContact O-N 3.4Å; R414-R417 PolarHBondContact O-N 2.94Å; R414-M418 HydrophobicContact CB-CE 4.16Å; R414-M418 WeakPolarHBondContact O-CE 3.34Å; R414-M418 WeakPolarHBondContact O-CG 3.24Å; R414-M418 PolarHBondContact O-N 3.26Å |
| 415 | I | 69.1 | Low | 71.4 | Confident | 10 Ų | 10 | 36.7 Ų | 36.7 | 5% | 0.051 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -55.4 | -49.8 | 175.3 | -69.2 | 160.5 | 0 | 0 | 0 | 110.3 | L373 T411 L412 R417 M418 V419 L504 M753 | L373-I415 HydrophobicContact CD2-CD1 3.42Å; L373-I415 VanDerWaalsContact CD2-CD1 3.42Å; T411-I415 HydrophobicContact CG2-CD1 4.14Å; T411-I415 WeakPolarHBondContact O-CD1 3.37Å; T411-I415 VanDerWaalsContact O-CG1 3.26Å; T411-I415 WeakPolarHBondContact O-CG1 3.43Å; T411-I415 PolarHBondContact O-N 3.18Å; L412-I415 WeakPolarHBondContact O-CB 3.41Å; L412-I415 PolarHBondContact O-N 2.87Å; I415-R417 VanDerWaalsContact C-N 3.35Å; I415-R417 PolarHBondContact O-N 2.71Å; I415-M418 PolarHBondContact O-N 2.83Å; I415-V419 HydrophobicContact CG2-CG2 4.35Å; I415-V419 VanDerWaalsContact O-CG2 3.3Å; I415-V419 WeakPolarHBondContact O-CG2 3.31Å; I415-V419 PolarHBondContact O-N 3.42Å; I415-L504 HydrophobicContact CB-CD1 4.5Å; I415-L504 HydrophobicContact CB-CD2 4.34Å; I415-L504 HydrophobicContact CG1-CD1 3.72Å; I415-L504 HydrophobicContact CG1-CD2 4.12Å; I415-L504 HydrophobicContact CG2-CD2 3.77Å; I415-M753 HydrophobicContact CD1-CE 3.2Å; I415-M753 HydrophobicContact CD1-SD 3.6Å; I415-M753 VanDerWaalsContact CD1-SD 3.6Å; I415-M753 HydrophobicContact CG1-CE 3.99Å; I415-M753 HydrophobicContact CG1-SD 3.86Å |
| 416 | I | 67.2 | Low | 70.3 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 3% | 0.031 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66.2 | -40.7 | -175.7 | -65.9 | 163.4 | 0 | 0 | 0 | 110.6 | L314 L317 L318 L412 S413 R414 V419 R420 | L314-I416 HydrophobicContact CD1-CG2 4.46Å; L317-I416 HydrophobicContact CB-CD1 4.02Å; L317-I416 HydrophobicContact CB-CG1 4.09Å; L318-I416 HydrophobicContact CD1-CG2 4.41Å; L318-I416 HydrophobicContact CD2-CD1 3.41Å; L318-I416 VanDerWaalsContact CD2-CD1 3.41Å; L318-I416 HydrophobicContact CD2-CG1 4.45Å; L318-I416 HydrophobicContact CD2-CG2 3.98Å; L318-I416 HydrophobicContact CG-CD1 3.75Å; L318-I416 HydrophobicContact CG-CG2 4.13Å; L412-I416 HydrophobicContact CD1-CD1 3.83Å; L412-I416 HydrophobicContact CD1-CG1 4.37Å; L412-I416 HydrophobicContact CG-CD1 3.81Å; L412-I416 WeakPolarHBondContact O-CD1 3.47Å; L412-I416 VanDerWaalsContact O-CG1 3.26Å; L412-I416 WeakPolarHBondContact O-CG1 3.5Å; L412-I416 PolarHBondContact O-N 3.47Å; S413-I416 PolarHBondContact O-N 2.94Å; R414-I416 VanDerWaalsContact C-N 3.32Å; R414-I416 PolarHBondContact O-N 3.4Å; I416-V419 PolarHBondContact O-N 2.88Å; I416-R420 WeakPolarHBondContact O-CB 3.44Å; I416-R420 WeakPolarHBondContact O-CG 3.37Å; I416-R420 PolarHBondContact O-N 3.39Å |
| 417 | R | 66.6 | Low | 69.6 | Low | 125 Ų | 125 | 38.3 Ų | 38.3 | 47% | 0.472 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.2 | -48.6 | 173.9 | -172.8 | 177.8 | 73.6 | -180 | 3.5 | 111.5 | S413 R414 I415 R420 Q421 | S413-R417 WeakPolarHBondContact O-CB 3.48Å; S413-R417 PolarHBondContact O-N 3.22Å; R414-R417 PolarHBondContact O-N 2.94Å; I415-R417 VanDerWaalsContact C-N 3.35Å; I415-R417 PolarHBondContact O-N 2.71Å; R417-R420 PolarHBondContact O-N 3.34Å; R417-Q421 WeakPolarHBondContact O-CB 3.44Å; R417-Q421 PolarHBondContact O-N 3.35Å |
| 418 | M | 62.8 | Low | 69.3 | Low | 21 Ų | 21 | 40.1 Ų | 40.1 | 10% | 0.103 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.7 | -44.8 | 178.5 | -76.4 | -173.5 | -85.7 | 0 | 0 | 111.9 | R414 I415 R420 Q421 A422 L504 | R414-M418 HydrophobicContact CB-CE 4.16Å; R414-M418 WeakPolarHBondContact O-CE 3.34Å; R414-M418 WeakPolarHBondContact O-CG 3.24Å; R414-M418 PolarHBondContact O-N 3.26Å; I415-M418 PolarHBondContact O-N 2.83Å; M418-R420 PolarHBondContact O-N 3.16Å; M418-Q421 WeakPolarHBondContact O-CB 3.24Å; M418-Q421 PolarHBondContact O-N 3.09Å; M418-A422 PolarHBondContact O-N 3.25Å; M418-L504 HydrophobicContact CE-CB 4.48Å; M418-L504 HydrophobicContact CE-CD1 3.45Å; M418-L504 VanDerWaalsContact CE-CD1 3.45Å; M418-L504 HydrophobicContact SD-CB 4.32Å; M418-L504 HydrophobicContact SD-CD1 4.32Å |
| 419 | V | 65 | Low | 69.4 | Low | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.024 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.3 | -42.3 | 178.2 | 173.5 | 0 | 0 | 0 | 0 | 111.6 | L314 I415 I416 A422 Q423 V495 A499 | L314-V419 HydrophobicContact CD1-CB 3.89Å; L314-V419 HydrophobicContact CD1-CG1 3.46Å; L314-V419 VanDerWaalsContact CD1-CG1 3.46Å; L314-V419 HydrophobicContact CD2-CG1 3.91Å; L314-V419 HydrophobicContact CG-CG1 4.3Å; I415-V419 HydrophobicContact CG2-CG2 4.35Å; I415-V419 VanDerWaalsContact O-CG2 3.3Å; I415-V419 WeakPolarHBondContact O-CG2 3.31Å; I415-V419 PolarHBondContact O-N 3.42Å; I416-V419 PolarHBondContact O-N 2.88Å; V419-A422 PolarHBondContact O-N 3.14Å; V419-Q423 HydrophobicContact CG1-CG 4.49Å; V419-Q423 VanDerWaalsContact O-CG 3.28Å; V419-Q423 WeakPolarHBondContact O-CG 3.49Å; V419-Q423 PolarHBondContact O-N 3.01Å; V419-V495 HydrophobicContact CB-CG1 4.49Å; V419-V495 HydrophobicContact CG1-CG1 3.95Å; V419-V495 HydrophobicContact CG2-CG1 4.47Å; V419-A499 HydrophobicContact CG2-CB 4.2Å |
| 420 | R | 64.9 | Low | 69.2 | Low | 44 Ų | 44 | 33.1 Ų | 33.1 | 17% | 0.166 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.1 | -45.2 | 174.3 | -75.9 | -172.9 | 177.4 | -175.5 | -5 | 111.7 | L314 I416 R417 M418 A422 Q423 S424 | L314-R420 HydrophobicContact CD2-CB 4.47Å; L314-R420 HydrophobicContact CD2-CG 3.43Å; L314-R420 VanDerWaalsContact CD2-CG 3.43Å; L314-R420 HydrophobicContact CG-CG 4.46Å; I416-R420 WeakPolarHBondContact O-CB 3.44Å; I416-R420 WeakPolarHBondContact O-CG 3.37Å; I416-R420 PolarHBondContact O-N 3.39Å; R417-R420 PolarHBondContact O-N 3.34Å; M418-R420 PolarHBondContact O-N 3.16Å; R420-A422 PolarHBondContact O-N 3Å; R420-Q423 PolarHBondContact O-N 3.29Å; R420-S424 WeakPolarHBondContact O-CB 3.22Å; R420-S424 PolarHBondContact O-N 3.29Å; R420-S424 PolarHBondContact O-OG 3.31Å |
| 421 | Q | 64.1 | Low | 68.6 | Low | 45 Ų | 45 | 36.8 Ų | 36.8 | 21% | 0.21 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -56.8 | -50.3 | 177.5 | -172.9 | -178.4 | -15 | 0 | 0 | 110.7 | L90 R417 M418 Q423 S424 S425 R506 | L90-Q421 VanDerWaalsContact CD1-CD 3.5Å; L90-Q421 HydrophobicContact CD1-CG 4.42Å; R417-Q421 WeakPolarHBondContact O-CB 3.44Å; R417-Q421 PolarHBondContact O-N 3.35Å; M418-Q421 WeakPolarHBondContact O-CB 3.24Å; M418-Q421 PolarHBondContact O-N 3.09Å; Q421-Q423 VanDerWaalsContact C-N 3.34Å; Q421-Q423 PolarHBondContact O-N 2.95Å; Q421-S424 PolarHBondContact O-N 2.94Å; Q421-S424 VanDerWaalsContact O-N 3.15Å; Q421-S424 PolarHBondContact O-OG 3.38Å; Q421-S425 PolarHBondContact O-N 3.4Å; Q421-S425 VanDerWaalsContact O-N 3.08Å; Q421-R506 WeakPolarHBondContact CG-O 3.45Å |
| 422 | A | 57.8 | Low | 68.4 | Low | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.9 | -31.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | M418 V419 R420 S424 S425 V495 V505 R506 | M418-A422 PolarHBondContact O-N 3.25Å; V419-A422 PolarHBondContact O-N 3.14Å; R420-A422 PolarHBondContact O-N 3Å; A422-S424 VanDerWaalsContact C-N 3.32Å; A422-S425 PolarHBondContact O-OG 3.01Å; A422-V495 HydrophobicContact CB-CG1 4.05Å; A422-V495 HydrophobicContact CB-CG2 3.98Å; A422-V505 HydrophobicContact CB-CB 4.38Å; A422-V505 HydrophobicContact CB-CG1 4.22Å; A422-V505 WeakPolarHBondContact CB-O 3.44Å; A422-R506 WeakPolarHBondContact CA-O 3.45Å; A422-R506 PolarHBondContact N-O 3.44Å |
| 423 | Q | 64 | Low | 67.8 | Low | 34 Ų | 34 | 40.4 Ų | 40.4 | 16% | 0.159 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -71.8 | -29.3 | 174.5 | -74.5 | 179.7 | 1 | 0 | 0 | 112.9 | V419 R420 Q421 I492 | V419-Q423 HydrophobicContact CG1-CG 4.49Å; V419-Q423 VanDerWaalsContact O-CG 3.28Å; V419-Q423 WeakPolarHBondContact O-CG 3.49Å; V419-Q423 PolarHBondContact O-N 3.01Å; R420-Q423 PolarHBondContact O-N 3.29Å; Q421-Q423 VanDerWaalsContact C-N 3.34Å; Q421-Q423 PolarHBondContact O-N 2.95Å; Q423-I492 HydrophobicContact CG-CG1 4.19Å |
| 424 | S | 62.4 | Low | 67.3 | Low | 50 Ų | 50 | 41.4 Ų | 41.4 | 35% | 0.35 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -81.3 | -25.8 | 179.6 | 72.2 | 0 | 0 | 0 | 0 | 113.5 | N133 R420 Q421 A422 | N133-S424 WeakPolarHBondContact ND2-CB 3.27Å; R420-S424 WeakPolarHBondContact O-CB 3.22Å; R420-S424 PolarHBondContact O-N 3.29Å; R420-S424 PolarHBondContact O-OG 3.31Å; Q421-S424 PolarHBondContact O-N 2.94Å; Q421-S424 VanDerWaalsContact O-N 3.15Å; Q421-S424 PolarHBondContact O-OG 3.38Å; A422-S424 VanDerWaalsContact C-N 3.32Å |
| 425 | S | 64 | Low | 67.4 | Low | 24 Ų | 24 | 45 Ų | 45 | 17% | 0.168 | 22% | 0.215 | C | C | . | . | trans | -77.1 | 146.2 | -178.2 | 74.8 | 0 | 0 | 0 | 0 | 111.3 | Q421 A422 D507 A508 | Q421-S425 PolarHBondContact O-N 3.4Å; Q421-S425 VanDerWaalsContact O-N 3.08Å; A422-S425 PolarHBondContact O-OG 3.01Å; S425-D507 WeakPolarHBondContact CB-OD1 3.2Å; S425-D507 PolarHBondContact OG-OD1 2.93Å; S425-A508 VanDerWaalsContact OG-CB 3.28Å; S425-A508 WeakPolarHBondContact OG-CB 3.31Å; S425-A508 PolarHBondContact OG-N 3.31Å | ||
| 426 | K | 64.7 | Low | 67.7 | Low | 78 Ų | 78 | 47.4 Ų | 47.4 | 34% | 0.339 | 23% | 0.227 | S | C | . | . | trans | -113.5 | 113.7 | -174.4 | -175.3 | 169 | -175 | 155.3 | 0 | 109.6 | G430 Q431 D434 | K426-G430 WeakPolarHBondContact CE-O 3.43Å; K426-Q431 HydrophobicContact CD-CG 4.44Å; K426-Q431 HydrophobicContact CG-CG 4.18Å; K426-Q431 PolarHBondContact O-NE2 3.19Å; K426-D434 WeakPolarHBondContact CE-OD2 3.36Å; K426-D434 IonicContact NZ-OD1 2.81Å; K426-D434 PolarHBondContact NZ-OD1 3.39Å; K426-D434 IonicContact NZ-OD2 2.64Å; K426-D434 PolarHBondContact NZ-OD2 3.13Å | ||
| 427 | P | 71.8 | Confident | 67.8 | Low | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | trans | -71.9 | 158.8 | -173.8 | 30.1 | -35.6 | 0 | 0 | 0 | 111.4 | I429 G430 Q431 T487 I491 A508 D509 M774 | P427-I429 HydrophobicContact CB-CG2 4.45Å; P427-I429 HydrophobicContact CG-CG2 4.21Å; P427-I429 PolarHBondContact O-N 3.08Å; P427-I429 VanDerWaalsContact O-N 3.15Å; P427-G430 VanDerWaalsContact O-CA 3.3Å; P427-G430 WeakPolarHBondContact O-CA 3.3Å; P427-G430 PolarHBondContact O-N 3.19Å; P427-Q431 PolarHBondContact O-N 3.49Å; P427-T487 HydrophobicContact CG-CG2 3.69Å; P427-I491 HydrophobicContact CG-CD1 3.59Å; P427-I491 HydrophobicContact CG-CG1 4.2Å; P427-A508 HydrophobicContact CB-CB 4.38Å; P427-A508 HydrophobicContact CG-CB 4.34Å; P427-D509 WeakPolarHBondContact CA-OD1 3.31Å; P427-D509 WeakPolarHBondContact CB-OD1 3.49Å; P427-M774 HydrophobicContact CG-CE 4.24Å; P427-M774 HydrophobicContact CG-SD 4.49Å | ||
| 428 | E | 75.2 | Confident | 67.9 | Low | 85 Ų | 85 | 45.8 Ų | 45.8 | 40% | 0.397 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -50.2 | -42.3 | -178.2 | -65.2 | 178.1 | 157.1 | 0 | 0 | 112.9 | G430 Q431 L432 D509 Q512 | E428-G430 PolarHBondContact O-N 2.76Å; E428-Q431 CarbonylContact O-C 3.58Å; E428-Q431 WeakPolarHBondContact O-CB 3.39Å; E428-Q431 PolarHBondContact O-N 2.87Å; E428-Q431 VanDerWaalsContact O-N 3.09Å; E428-L432 WeakPolarHBondContact O-CB 3.2Å; E428-L432 PolarHBondContact O-N 3.02Å; E428-D509 PolarHBondContact N-OD1 3.2Å; E428-Q512 PolarHBondContact OE2-NE2 3.15Å |
| 429 | I | 75.5 | Confident | 68.6 | Low | 25 Ų | 25 | 49.1 Ų | 49.1 | 13% | 0.128 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.7 | -30.9 | 177.5 | -167.5 | 172.8 | 0 | 0 | 0 | 112.4 | P427 A433 Q512 L771 M774 K775 L778 | P427-I429 HydrophobicContact CB-CG2 4.45Å; P427-I429 HydrophobicContact CG-CG2 4.21Å; P427-I429 PolarHBondContact O-N 3.08Å; P427-I429 VanDerWaalsContact O-N 3.15Å; I429-A433 PolarHBondContact O-N 2.68Å; I429-Q512 VanDerWaalsContact CG2-OE1 3.22Å; I429-L771 HydrophobicContact CD1-CD1 4.03Å; I429-L771 HydrophobicContact CG2-CD1 4.49Å; I429-M774 HydrophobicContact CB-SD 4.47Å; I429-M774 HydrophobicContact CG2-CE 4.41Å; I429-M774 HydrophobicContact CG2-CG 4.45Å; I429-M774 HydrophobicContact CG2-SD 3.13Å; I429-M774 WeakPolarHBondContact CG2-SD 3.4Å; I429-K775 HydrophobicContact CD1-CG 4Å; I429-L778 HydrophobicContact CD1-CD1 3.89Å; I429-L778 HydrophobicContact CG1-CD1 3.84Å |
| 430 | G | 71.3 | Confident | 69.3 | Low | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -71.9 | -38.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | K426 P427 E428 L432 A433 D434 | K426-G430 WeakPolarHBondContact CE-O 3.43Å; P427-G430 VanDerWaalsContact O-CA 3.3Å; P427-G430 WeakPolarHBondContact O-CA 3.3Å; P427-G430 PolarHBondContact O-N 3.19Å; E428-G430 PolarHBondContact O-N 2.76Å; G430-L432 VanDerWaalsContact C-N 3.31Å; G430-A433 WeakPolarHBondContact O-CB 3.28Å; G430-A433 PolarHBondContact O-N 3.43Å; G430-D434 PolarHBondContact O-N 3.21Å; G430-D434 VanDerWaalsContact O-N 3.11Å |
| 431 | Q | 71 | Confident | 69.8 | Low | 81 Ų | 81 | 49.1 Ų | 49.1 | 38% | 0.379 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.7 | -38 | 173.6 | -58.3 | 177.3 | 20.4 | 0 | 0 | 110.9 | K426 P427 E428 D434 K435 | K426-Q431 HydrophobicContact CD-CG 4.44Å; K426-Q431 HydrophobicContact CG-CG 4.18Å; K426-Q431 PolarHBondContact O-NE2 3.19Å; P427-Q431 PolarHBondContact O-N 3.49Å; E428-Q431 CarbonylContact O-C 3.58Å; E428-Q431 WeakPolarHBondContact O-CB 3.39Å; E428-Q431 PolarHBondContact O-N 2.87Å; E428-Q431 VanDerWaalsContact O-N 3.09Å; Q431-D434 WeakPolarHBondContact O-CB 3.23Å; Q431-D434 PolarHBondContact O-N 3.32Å; Q431-K435 PolarHBondContact O-N 3.3Å |
| 432 | L | 73.3 | Confident | 70.4 | Confident | 99 Ų | 99 | 50.2 Ų | 50.2 | 52% | 0.518 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61 | -43.1 | 171.7 | -176.5 | 66.7 | 0 | 0 | 0 | 111.3 | E428 G430 D434 K435 I436 | E428-L432 WeakPolarHBondContact O-CB 3.2Å; E428-L432 PolarHBondContact O-N 3.02Å; G430-L432 VanDerWaalsContact C-N 3.31Å; L432-D434 VanDerWaalsContact C-N 3.32Å; L432-D434 PolarHBondContact O-N 3.23Å; L432-K435 PolarHBondContact O-N 3.43Å; L432-I436 HydrophobicContact CD1-CD1 4.49Å; L432-I436 HydrophobicContact CG-CD1 3.98Å; L432-I436 HydrophobicContact CG-CG1 4.48Å; L432-I436 VanDerWaalsContact O-CG1 3.24Å; L432-I436 WeakPolarHBondContact O-CG1 3.34Å; L432-I436 PolarHBondContact O-N 2.99Å |
| 433 | A | 69.1 | Low | 71.8 | Confident | 6 Ų | 6 | 53.6 Ų | 53.6 | 5% | 0.05 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61 | -38.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | I429 G430 S437 L483 L778 | I429-A433 PolarHBondContact O-N 2.68Å; G430-A433 WeakPolarHBondContact O-CB 3.28Å; G430-A433 PolarHBondContact O-N 3.43Å; A433-S437 WeakPolarHBondContact O-CB 3.31Å; A433-S437 PolarHBondContact O-N 2.83Å; A433-S437 PolarHBondContact O-OG 3.02Å; A433-L483 HydrophobicContact CB-CG 4.43Å; A433-L778 HydrophobicContact CB-CD2 4.06Å |
| 434 | D | 64.8 | Low | 72.9 | Confident | 53 Ų | 53 | 52 Ų | 52 | 28% | 0.283 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66 | -44.7 | 173.2 | -79.6 | 13 | 0 | 0 | 0 | 111.9 | K426 G430 Q431 L432 I436 S437 A438 | K426-D434 WeakPolarHBondContact CE-OD2 3.36Å; K426-D434 IonicContact NZ-OD1 2.81Å; K426-D434 PolarHBondContact NZ-OD1 3.39Å; K426-D434 IonicContact NZ-OD2 2.64Å; K426-D434 PolarHBondContact NZ-OD2 3.13Å; G430-D434 PolarHBondContact O-N 3.21Å; G430-D434 VanDerWaalsContact O-N 3.11Å; Q431-D434 WeakPolarHBondContact O-CB 3.23Å; Q431-D434 PolarHBondContact O-N 3.32Å; L432-D434 VanDerWaalsContact C-N 3.32Å; L432-D434 PolarHBondContact O-N 3.23Å; D434-I436 VanDerWaalsContact C-N 3.32Å; D434-I436 PolarHBondContact O-N 3.43Å; D434-S437 WeakPolarHBondContact O-CB 3.35Å; D434-S437 PolarHBondContact O-N 3.4Å; D434-S437 VanDerWaalsContact O-N 3.12Å; D434-A438 PolarHBondContact O-N 2.78Å |
| 435 | K | 70.6 | Confident | 73.9 | Confident | 153 Ų | 153 | 52 Ų | 52 | 67% | 0.665 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -61.3 | -42 | 177.4 | -171.2 | 175.2 | -176.6 | 175.8 | 0 | 111.3 | Q431 L432 S437 A438 V439 | Q431-K435 PolarHBondContact O-N 3.3Å; L432-K435 PolarHBondContact O-N 3.43Å; K435-S437 VanDerWaalsContact C-N 3.35Å; K435-A438 PolarHBondContact O-N 3.25Å; K435-V439 PolarHBondContact O-N 3.2Å |
| 436 | I | 76.1 | Confident | 75.1 | Confident | 61 Ų | 61 | 54.9 Ų | 54.9 | 31% | 0.313 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62 | -45.6 | 173.3 | -65.2 | 163 | 0 | 0 | 0 | 109.8 | L432 D434 A438 V439 F440 F782 | L432-I436 HydrophobicContact CD1-CD1 4.49Å; L432-I436 HydrophobicContact CG-CD1 3.98Å; L432-I436 HydrophobicContact CG-CG1 4.48Å; L432-I436 VanDerWaalsContact O-CG1 3.24Å; L432-I436 WeakPolarHBondContact O-CG1 3.34Å; L432-I436 PolarHBondContact O-N 2.99Å; D434-I436 VanDerWaalsContact C-N 3.32Å; D434-I436 PolarHBondContact O-N 3.43Å; I436-A438 VanDerWaalsContact C-N 3.31Å; I436-A438 PolarHBondContact O-N 3.47Å; I436-V439 PolarHBondContact O-N 3.23Å; I436-F440 WeakPolarHBondContact O-CB 3.36Å; I436-F440 PolarHBondContact O-N 2.98Å; I436-F782 HydrophobicContact CB-CZ 4.2Å; I436-F782 HydrophobicContact CD1-CE2 4.38Å; I436-F782 HydrophobicContact CD1-CZ 3.98Å; I436-F782 HydrophobicContact CG2-CE1 3.67Å; I436-F782 HydrophobicContact CG2-CZ 3.49Å; I436-F782 VanDerWaalsContact CG2-CZ 3.49Å |
| 437 | S | 68.9 | Low | 76.4 | Confident | 26 Ų | 26 | 53.9 Ų | 53.9 | 18% | 0.182 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.2 | -40.4 | 178.5 | -59.6 | 0 | 0 | 0 | 0 | 112.7 | A433 D434 K435 V439 F440 V441 L483 | A433-S437 WeakPolarHBondContact O-CB 3.31Å; A433-S437 PolarHBondContact O-N 2.83Å; A433-S437 PolarHBondContact O-OG 3.02Å; D434-S437 WeakPolarHBondContact O-CB 3.35Å; D434-S437 PolarHBondContact O-N 3.4Å; D434-S437 VanDerWaalsContact O-N 3.12Å; K435-S437 VanDerWaalsContact C-N 3.35Å; S437-V439 VanDerWaalsContact C-N 3.28Å; S437-V439 PolarHBondContact O-N 3.29Å; S437-F440 PolarHBondContact O-N 3.46Å; S437-V441 WeakPolarHBondContact O-CG2 3.28Å; S437-V441 PolarHBondContact O-N 3.34Å; S437-V441 VanDerWaalsContact O-N 3.09Å; S437-L483 WeakPolarHBondContact OG-CD2 3.37Å |
| 438 | A | 68.5 | Low | 77.2 | Confident | 71 Ų | 71 | 54 Ų | 54 | 59% | 0.587 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -63.2 | -31.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | D434 K435 I436 P442 | D434-A438 PolarHBondContact O-N 2.78Å; K435-A438 PolarHBondContact O-N 3.25Å; I436-A438 VanDerWaalsContact C-N 3.31Å; I436-A438 PolarHBondContact O-N 3.47Å; A438-P442 WeakPolarHBondContact O-CD 3.07Å; A438-P442 WeakPolarHBondContact O-CG 3.13Å |
| 439 | V | 78.7 | Confident | 77.9 | Confident | 91 Ų | 91 | 55.6 Ų | 55.6 | 55% | 0.552 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -86.7 | -38.2 | 174.3 | 178.3 | 0 | 0 | 0 | 0 | 111.6 | K435 I436 S437 V441 P442 V443 | K435-V439 PolarHBondContact O-N 3.2Å; I436-V439 PolarHBondContact O-N 3.23Å; S437-V439 VanDerWaalsContact C-N 3.28Å; S437-V439 PolarHBondContact O-N 3.29Å; V439-V441 PolarHBondContact O-N 3.16Å; V439-P442 WeakPolarHBondContact O-CD 3.45Å; V439-V443 HydrophobicContact CG1-CG2 4.25Å; V439-V443 VanDerWaalsContact O-CG2 3.29Å; V439-V443 WeakPolarHBondContact O-CG2 3.38Å; V439-V443 PolarHBondContact O-N 2.88Å |
| 440 | F | 79 | Confident | 78.8 | Confident | 33 Ų | 33 | 58 Ų | 58 | 15% | 0.145 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.2 | -40.8 | -175.8 | 177.6 | -99 | 0 | 0 | 0 | 112.4 | I436 S437 V443 V444 A478 N785 I789 | I436-F440 WeakPolarHBondContact O-CB 3.36Å; I436-F440 PolarHBondContact O-N 2.98Å; S437-F440 PolarHBondContact O-N 3.46Å; F440-V443 PolarHBondContact O-N 3.38Å; F440-V444 HydrophobicContact CD1-CG2 4.03Å; F440-V444 HydrophobicContact CD2-CG2 4.25Å; F440-V444 HydrophobicContact CE1-CG2 3.69Å; F440-V444 HydrophobicContact CE2-CG2 3.92Å; F440-V444 HydrophobicContact CG-CG2 4.31Å; F440-V444 HydrophobicContact CZ-CG2 3.63Å; F440-V444 WeakPolarHBondContact O-CB 3Å; F440-V444 VanDerWaalsContact O-CG2 3.25Å; F440-V444 WeakPolarHBondContact O-CG2 3.26Å; F440-V444 PolarHBondContact O-N 2.9Å; F440-A478 HydrophobicContact CE1-CB 4.35Å; F440-A478 VanDerWaalsContact CE1-O 3.28Å; F440-A478 WeakPolarHBondContact CE1-O 3.29Å; F440-A478 HydrophobicContact CZ-CB 4.35Å; F440-N785 HydrophobicContact CZ-CB 4.11Å; F440-I789 HydrophobicContact CE2-CD1 3.91Å; F440-I789 HydrophobicContact CZ-CD1 3.7Å |
| 441 | V | 74.1 | Confident | 79.8 | Confident | 15 Ų | 15 | 58.5 Ų | 58.5 | 9% | 0.091 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -61.6 | -52.8 | 179.9 | 169.8 | 0 | 0 | 0 | 0 | 112.3 | A250 S437 V439 V443 V444 V445 | A250-V441 HydrophobicContact CB-CG1 4.21Å; S437-V441 WeakPolarHBondContact O-CG2 3.28Å; S437-V441 PolarHBondContact O-N 3.34Å; S437-V441 VanDerWaalsContact O-N 3.09Å; V439-V441 PolarHBondContact O-N 3.16Å; V441-V443 VanDerWaalsContact C-N 3.31Å; V441-V443 PolarHBondContact O-N 2.98Å; V441-V444 PolarHBondContact O-N 3.03Å; V441-V445 WeakPolarHBondContact O-CG2 3.49Å; V441-V445 PolarHBondContact O-N 3.21Å |
| 442 | P | 78.7 | Confident | 80.6 | Confident | 68 Ų | 68 | 55.2 Ų | 55.2 | 44% | 0.442 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -55.7 | -42.8 | 173 | -26.8 | 32.6 | 0 | 0 | 0 | 113.6 | A438 V439 V444 V445 V446 | A438-P442 WeakPolarHBondContact O-CD 3.07Å; A438-P442 WeakPolarHBondContact O-CG 3.13Å; V439-P442 WeakPolarHBondContact O-CD 3.45Å; P442-V444 PolarHBondContact O-N 2.67Å; P442-V445 PolarHBondContact O-N 2.89Å; P442-V446 WeakPolarHBondContact O-CG2 3.24Å; P442-V446 PolarHBondContact O-N 3.24Å |
| 443 | V | 87.1 | Confident | 81.5 | Confident | 70 Ų | 70 | 52.4 Ų | 52.4 | 42% | 0.424 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.2 | -45.1 | 178.7 | 169.9 | 0 | 0 | 0 | 0 | 111 | V439 F440 V441 V445 V446 I447 | V439-V443 HydrophobicContact CG1-CG2 4.25Å; V439-V443 VanDerWaalsContact O-CG2 3.29Å; V439-V443 WeakPolarHBondContact O-CG2 3.38Å; V439-V443 PolarHBondContact O-N 2.88Å; F440-V443 PolarHBondContact O-N 3.38Å; V441-V443 VanDerWaalsContact C-N 3.31Å; V441-V443 PolarHBondContact O-N 2.98Å; V443-V445 VanDerWaalsContact C-N 3.35Å; V443-V445 PolarHBondContact O-N 2.98Å; V443-V446 PolarHBondContact O-N 2.93Å; V443-I447 HydrophobicContact CG1-CD1 3.82Å; V443-I447 HydrophobicContact CG1-CG1 4.41Å; V443-I447 VanDerWaalsContact O-CG1 3.3Å; V443-I447 WeakPolarHBondContact O-CG1 3.46Å; V443-I447 PolarHBondContact O-N 3.06Å |
| 444 | V | 85.5 | Confident | 82.6 | Confident | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.012 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.1 | -41.3 | 176.6 | 165.1 | 0 | 0 | 0 | 0 | 111.7 | F440 V441 P442 V446 I447 A448 L475 A478 I789 | F440-V444 HydrophobicContact CD1-CG2 4.03Å; F440-V444 HydrophobicContact CD2-CG2 4.25Å; F440-V444 HydrophobicContact CE1-CG2 3.69Å; F440-V444 HydrophobicContact CE2-CG2 3.92Å; F440-V444 HydrophobicContact CG-CG2 4.31Å; F440-V444 HydrophobicContact CZ-CG2 3.63Å; F440-V444 WeakPolarHBondContact O-CB 3Å; F440-V444 VanDerWaalsContact O-CG2 3.25Å; F440-V444 WeakPolarHBondContact O-CG2 3.26Å; F440-V444 PolarHBondContact O-N 2.9Å; V441-V444 PolarHBondContact O-N 3.03Å; P442-V444 PolarHBondContact O-N 2.67Å; V444-V446 VanDerWaalsContact C-N 3.34Å; V444-I447 PolarHBondContact O-N 3.15Å; V444-A448 WeakPolarHBondContact O-CB 3.5Å; V444-A448 PolarHBondContact O-N 3.33Å; V444-L475 HydrophobicContact CG1-CD2 4.07Å; V444-A478 HydrophobicContact CB-CB 4.18Å; V444-A478 HydrophobicContact CG1-CB 3.34Å; V444-A478 HydrophobicContact CG2-CB 3.74Å; V444-I789 HydrophobicContact CG2-CD1 3.85Å |
| 445 | V | 83.3 | Confident | 83.7 | Confident | 48 Ų | 48 | 54.6 Ų | 54.6 | 29% | 0.291 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 175.8 | 172.4 | 0 | 0 | 0 | 0 | 110.5 | L255 V441 P442 V443 A448 L449 L475 | L255-V445 HydrophobicContact CD2-CG2 3.71Å; V441-V445 WeakPolarHBondContact O-CG2 3.49Å; V441-V445 PolarHBondContact O-N 3.21Å; P442-V445 PolarHBondContact O-N 2.89Å; V443-V445 VanDerWaalsContact C-N 3.35Å; V443-V445 PolarHBondContact O-N 2.98Å; V445-A448 PolarHBondContact O-N 2.85Å; V445-L449 HydrophobicContact CG1-CD1 4.11Å; V445-L449 HydrophobicContact CG1-CG 4.47Å; V445-L449 VanDerWaalsContact O-CG 3.3Å; V445-L449 WeakPolarHBondContact O-CG 3.21Å; V445-L449 PolarHBondContact O-N 3.16Å; V445-L475 HydrophobicContact CG2-CD2 4.24Å |
| 446 | V | 90.4 | Very high | 84.6 | Confident | 85 Ų | 85 | 52.4 Ų | 52.4 | 52% | 0.515 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62 | -45.4 | 175.2 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | P442 V443 V444 A448 L449 V450 | P442-V446 WeakPolarHBondContact O-CG2 3.24Å; P442-V446 PolarHBondContact O-N 3.24Å; V443-V446 PolarHBondContact O-N 2.93Å; V444-V446 VanDerWaalsContact C-N 3.34Å; V446-A448 VanDerWaalsContact C-N 3.34Å; V446-A448 PolarHBondContact O-N 2.94Å; V446-L449 PolarHBondContact O-N 3.15Å; V446-V450 HydrophobicContact CG1-CG2 4.17Å; V446-V450 WeakPolarHBondContact O-CB 3.3Å; V446-V450 VanDerWaalsContact O-CG2 3.27Å; V446-V450 WeakPolarHBondContact O-CG2 3.34Å; V446-V450 PolarHBondContact O-N 3.38Å |
| 447 | I | 91.7 | Very high | 85.3 | Confident | 57 Ų | 57 | 56.1 Ų | 56.1 | 29% | 0.292 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -58.9 | -46.5 | 175.8 | -67.8 | 167.1 | 0 | 0 | 0 | 110.2 | V443 V444 L449 V450 S451 V474 I789 | V443-I447 HydrophobicContact CG1-CD1 3.82Å; V443-I447 HydrophobicContact CG1-CG1 4.41Å; V443-I447 VanDerWaalsContact O-CG1 3.3Å; V443-I447 WeakPolarHBondContact O-CG1 3.46Å; V443-I447 PolarHBondContact O-N 3.06Å; V444-I447 PolarHBondContact O-N 3.15Å; I447-L449 VanDerWaalsContact C-N 3.34Å; I447-L449 PolarHBondContact O-N 3.01Å; I447-V450 PolarHBondContact O-N 2.78Å; I447-S451 VanDerWaalsContact O-CB 3.29Å; I447-S451 WeakPolarHBondContact O-CB 3.39Å; I447-S451 PolarHBondContact O-N 3.05Å; I447-S451 PolarHBondContact O-OG 3.33Å; I447-V474 HydrophobicContact CG2-CG1 4.14Å; I447-I789 HydrophobicContact CD1-CG2 4.24Å; I447-I789 HydrophobicContact CG2-CG2 3.87Å |
| 448 | A | 88.5 | Confident | 86.2 | Confident | 4 Ų | 4 | 63.4 Ų | 63.4 | 3% | 0.033 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60 | -43.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V444 V445 V446 A452 V474 L475 | V444-A448 WeakPolarHBondContact O-CB 3.5Å; V444-A448 PolarHBondContact O-N 3.33Å; V445-A448 PolarHBondContact O-N 2.85Å; V446-A448 VanDerWaalsContact C-N 3.34Å; V446-A448 PolarHBondContact O-N 2.94Å; A448-A452 WeakPolarHBondContact O-CB 3.14Å; A448-A452 PolarHBondContact O-N 2.89Å; A448-V474 HydrophobicContact CB-CB 4.13Å; A448-V474 HydrophobicContact CB-CG1 3.82Å; A448-L475 HydrophobicContact CB-CD2 3.58Å; A448-L475 HydrophobicContact CB-CG 3.81Å |
| 449 | L | 90.9 | Very high | 86.8 | Confident | 118 Ų | 118 | 60.6 Ų | 60.6 | 62% | 0.618 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -66.7 | -42.2 | 176.7 | -70 | 173.8 | 0 | 0 | 0 | 112.5 | V445 V446 I447 A452 A453 | V445-L449 HydrophobicContact CG1-CD1 4.11Å; V445-L449 HydrophobicContact CG1-CG 4.47Å; V445-L449 VanDerWaalsContact O-CG 3.3Å; V445-L449 WeakPolarHBondContact O-CG 3.21Å; V445-L449 PolarHBondContact O-N 3.16Å; V446-L449 PolarHBondContact O-N 3.15Å; I447-L449 VanDerWaalsContact C-N 3.34Å; I447-L449 PolarHBondContact O-N 3.01Å; L449-A452 WeakPolarHBondContact O-CB 3.45Å; L449-A452 PolarHBondContact O-N 3.43Å; L449-A453 WeakPolarHBondContact O-CB 3.45Å; L449-A453 PolarHBondContact O-N 2.76Å |
| 450 | V | 93.7 | Very high | 86.9 | Confident | 77 Ų | 77 | 58.1 Ų | 58.1 | 47% | 0.467 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.7 | -46.4 | 177.6 | 170.2 | 0 | 0 | 0 | 0 | 110.5 | V446 I447 A452 A453 I454 | V446-V450 HydrophobicContact CG1-CG2 4.17Å; V446-V450 WeakPolarHBondContact O-CB 3.3Å; V446-V450 VanDerWaalsContact O-CG2 3.27Å; V446-V450 WeakPolarHBondContact O-CG2 3.34Å; V446-V450 PolarHBondContact O-N 3.38Å; I447-V450 PolarHBondContact O-N 2.78Å; V450-A452 VanDerWaalsContact C-N 3.35Å; V450-A452 PolarHBondContact O-N 3.13Å; V450-A453 PolarHBondContact O-N 2.92Å; V450-I454 HydrophobicContact CG1-CD1 3.94Å; V450-I454 VanDerWaalsContact O-CG1 3.32Å; V450-I454 WeakPolarHBondContact O-CG1 3.42Å; V450-I454 PolarHBondContact O-N 3.35Å |
| 451 | S | 91.6 | Very high | 86.8 | Confident | 11 Ų | 11 | 60.2 Ų | 60.2 | 8% | 0.077 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.5 | -45.1 | 174.6 | -61.1 | 0 | 0 | 0 | 0 | 110.9 | I447 A453 I454 W455 A793 | I447-S451 VanDerWaalsContact O-CB 3.29Å; I447-S451 WeakPolarHBondContact O-CB 3.39Å; I447-S451 PolarHBondContact O-N 3.05Å; I447-S451 PolarHBondContact O-OG 3.33Å; S451-A453 VanDerWaalsContact C-N 3.31Å; S451-A453 PolarHBondContact O-N 2.82Å; S451-I454 PolarHBondContact O-N 2.88Å; S451-W455 VanDerWaalsContact O-CD1 3.22Å; S451-W455 PolarHBondContact O-N 3.19Å; S451-A793 WeakPolarHBondContact OG-CB 3.16Å |
| 452 | A | 88.8 | Confident | 87 | Confident | 11 Ų | 11 | 60.5 Ų | 60.5 | 9% | 0.091 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -55.8 | -45.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | A448 L449 V450 W455 Y456 T467 A471 | A448-A452 WeakPolarHBondContact O-CB 3.14Å; A448-A452 PolarHBondContact O-N 2.89Å; L449-A452 WeakPolarHBondContact O-CB 3.45Å; L449-A452 PolarHBondContact O-N 3.43Å; V450-A452 VanDerWaalsContact C-N 3.35Å; V450-A452 PolarHBondContact O-N 3.13Å; A452-W455 PolarHBondContact O-N 3.5Å; A452-Y456 WeakPolarHBondContact O-CB 3.46Å; A452-Y456 PolarHBondContact O-N 2.82Å; A452-T467 HydrophobicContact CB-CG2 3.79Å; A452-T467 WeakPolarHBondContact O-CG2 3.31Å; A452-T467 PolarHBondContact O-OG1 3.27Å; A452-A471 HydrophobicContact CB-CB 4Å |
| 453 | A | 92.2 | Very high | 87.2 | Confident | 41 Ų | 41 | 61.2 Ų | 61.2 | 34% | 0.339 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -64.8 | -44.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L449 V450 S451 W455 Y456 F457 | L449-A453 WeakPolarHBondContact O-CB 3.45Å; L449-A453 PolarHBondContact O-N 2.76Å; V450-A453 PolarHBondContact O-N 2.92Å; S451-A453 VanDerWaalsContact C-N 3.31Å; S451-A453 PolarHBondContact O-N 2.82Å; A453-W455 VanDerWaalsContact C-N 3.31Å; A453-W455 PolarHBondContact O-N 3.05Å; A453-Y456 WeakPolarHBondContact O-CB 3.31Å; A453-Y456 PolarHBondContact O-N 2.95Å; A453-Y456 VanDerWaalsContact O-N 3.14Å; A453-F457 HydrophobicContact CB-CE2 4.44Å; A453-F457 WeakPolarHBondContact O-CD2 3.42Å; A453-F457 PolarHBondContact O-N 2.55Å |
| 454 | I | 91.4 | Very high | 86.8 | Confident | 85 Ų | 85 | 62 Ų | 62 | 44% | 0.436 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -57.1 | -47.4 | 176.3 | -69.3 | 165.4 | 0 | 0 | 0 | 110.3 | V450 S451 Y456 F457 F458 | V450-I454 HydrophobicContact CG1-CD1 3.94Å; V450-I454 VanDerWaalsContact O-CG1 3.32Å; V450-I454 WeakPolarHBondContact O-CG1 3.42Å; V450-I454 PolarHBondContact O-N 3.35Å; S451-I454 PolarHBondContact O-N 2.88Å; I454-Y456 VanDerWaalsContact C-N 3.31Å; I454-Y456 PolarHBondContact O-N 2.94Å; I454-F457 PolarHBondContact O-N 2.89Å; I454-F458 HydrophobicContact CG2-CD2 4.44Å; I454-F458 WeakPolarHBondContact O-CB 3.46Å; I454-F458 PolarHBondContact O-N 2.86Å |
| 455 | W | 88.9 | Confident | 86.3 | Confident | 19 Ų | 19 | 62.5 Ų | 62.5 | 7% | 0.072 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -70.6 | -26.6 | 179.1 | -79.5 | 90.5 | 0 | 0 | 0 | 113.4 | S451 A452 A453 G459 P460 Y466 I470 A793 W797 L803 | S451-W455 VanDerWaalsContact O-CD1 3.22Å; S451-W455 PolarHBondContact O-N 3.19Å; A452-W455 PolarHBondContact O-N 3.5Å; A453-W455 VanDerWaalsContact C-N 3.31Å; A453-W455 PolarHBondContact O-N 3.05Å; W455-G459 WeakPolarHBondContact O-CA 3.47Å; W455-G459 PolarHBondContact O-N 3.19Å; W455-P460 HydrophobicContact CZ3-CG 4.19Å; W455-Y466 AromaticContact CE3-CD1 3.92Å; W455-Y466 HydrophobicContact CE3-CD1 3.92Å; W455-Y466 HydrophobicContact CE3-CG 4.04Å; W455-Y466 HydrophobicContact CH2-CD1 4.46Å; W455-Y466 AromaticContact CZ3-CD1 3.57Å; W455-Y466 HydrophobicContact CZ3-CD1 3.57Å; W455-Y466 HydrophobicContact CZ3-CE1 4.18Å; W455-Y466 HydrophobicContact CZ3-CG 4.09Å; W455-I470 HydrophobicContact CD2-CD1 4.34Å; W455-I470 HydrophobicContact CD2-CG1 3.95Å; W455-I470 HydrophobicContact CG-CB 4.5Å; W455-I470 HydrophobicContact CG-CG1 3.83Å; W455-I470 HydrophobicContact CZ2-CD1 4.12Å; W455-A793 PolarHBondContact NE1-O 2.87Å; W455-W797 HydrophobicContact CH2-CB 3.97Å; W455-W797 AromaticContact CH2-CD1 3.83Å; W455-W797 AromaticContact CH2-CD2 3.46Å; W455-W797 HydrophobicContact CH2-CD2 3.46Å; W455-W797 VanDerWaalsContact CH2-CD2 3.46Å; W455-W797 AromaticContact CH2-CE2 3.81Å; W455-W797 AromaticContact CH2-CE3 3.91Å; W455-W797 HydrophobicContact CH2-CE3 3.91Å; W455-W797 AromaticContact CH2-CG 3.47Å; W455-W797 HydrophobicContact CH2-CG 3.47Å; W455-W797 VanDerWaalsContact CH2-CG 3.47Å; W455-W797 HydrophobicContact CZ2-CB 4Å; W455-W797 HydrophobicContact CZ2-CD2 4.25Å; W455-W797 HydrophobicContact CZ2-CG 4.03Å; W455-W797 HydrophobicContact CZ3-CD2 4.29Å; W455-L803 HydrophobicContact CH2-CD1 4.02Å; W455-L803 HydrophobicContact CH2-CD2 3.74Å; W455-L803 HydrophobicContact CH2-CG 4.28Å; W455-L803 HydrophobicContact CZ2-CD2 3.68Å; W455-L803 HydrophobicContact CZ3-CD1 4.22Å |
| 456 | Y | 88.4 | Confident | 86.2 | Confident | 108 Ų | 108 | 63.5 Ų | 63.5 | 42% | 0.424 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -68.5 | -43.8 | 172.9 | -175.6 | -101.2 | 0 | 0 | 0 | 111.6 | A452 A453 I454 Q463 I464 T467 | A452-Y456 WeakPolarHBondContact O-CB 3.46Å; A452-Y456 PolarHBondContact O-N 2.82Å; A453-Y456 WeakPolarHBondContact O-CB 3.31Å; A453-Y456 PolarHBondContact O-N 2.95Å; A453-Y456 VanDerWaalsContact O-N 3.14Å; I454-Y456 VanDerWaalsContact C-N 3.31Å; I454-Y456 PolarHBondContact O-N 2.94Å; Y456-Q463 WeakPolarHBondContact O-CG 3.46Å; Y456-Q463 PolarHBondContact O-NE2 2.91Å; Y456-Q463 PolarHBondContact O-OE1 3.48Å; Y456-I464 HydrophobicContact CE2-CD1 4.4Å; Y456-T467 VanDerWaalsContact CA-OG1 3.23Å; Y456-T467 WeakPolarHBondContact CA-OG1 3.47Å; Y456-T467 WeakPolarHBondContact CB-OG1 3.4Å; Y456-T467 PolarHBondContact N-OG1 3.26Å; Y456-T467 VanDerWaalsContact N-OG1 3.12Å |
| 457 | F | 90.2 | Very high | 85.9 | Confident | 139 Ų | 139 | 60.5 Ų | 60.5 | 61% | 0.61 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -85.8 | -34.1 | -176.3 | -68.2 | -64.7 | 0 | 0 | 0 | 114.3 | A453 I454 | A453-F457 HydrophobicContact CB-CE2 4.44Å; A453-F457 WeakPolarHBondContact O-CD2 3.42Å; A453-F457 PolarHBondContact O-N 2.55Å; I454-F457 PolarHBondContact O-N 2.89Å |
| 458 | F | 87.8 | Confident | 85.3 | Confident | 178 Ų | 178 | 59 Ų | 59 | 78% | 0.781 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -119.6 | -6.8 | -172.2 | -59.2 | -81.3 | 0 | 0 | 0 | 114 | I454 | I454-F458 HydrophobicContact CG2-CD2 4.44Å; I454-F458 WeakPolarHBondContact O-CB 3.46Å; I454-F458 PolarHBondContact O-N 2.86Å |
| 459 | G | 81.5 | Confident | 84.9 | Confident | 12 Ų | 12 | 59.8 Ų | 59.8 | 12% | 0.124 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -72.5 | 158.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | W455 | W455-G459 WeakPolarHBondContact O-CA 3.47Å; W455-G459 PolarHBondContact O-N 3.19Å |
| 460 | P | 81.1 | Confident | 84.7 | Confident | 40 Ų | 40 | 54.2 Ų | 54.2 | 26% | 0.26 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 152.7 | 172.2 | 27.2 | -33 | 0 | 0 | 0 | 111.2 | W455 P462 Q463 Y466 W797 | W455-P460 HydrophobicContact CZ3-CG 4.19Å; P460-P462 CarbonylContact O-C 3.34Å; P460-Q463 PolarHBondContact O-N 3.31Å; P460-Y466 HydrophobicContact CB-CE2 4.29Å; P460-Y466 HydrophobicContact CG-CD1 4.31Å; P460-Y466 HydrophobicContact CG-CD2 3.97Å; P460-Y466 HydrophobicContact CG-CE1 4.02Å; P460-Y466 HydrophobicContact CG-CE2 3.66Å; P460-Y466 HydrophobicContact CG-CG 4.29Å; P460-Y466 WeakPolarHBondContact O-CD2 3.29Å; P460-W797 HydrophobicContact CG-CH2 4.19Å; P460-W797 HydrophobicContact CG-CZ2 3.87Å |
| 461 | A | 76.6 | Confident | 84.3 | Confident | 76 Ų | 76 | 51.6 Ų | 51.6 | 63% | 0.628 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -66.6 | 141.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 462 | P | 77.9 | Confident | 83.6 | Confident | 21 Ų | 21 | 51.6 Ų | 51.6 | 14% | 0.136 | 27% | 0.272 | C | S | . | . | S | Bend | cis | -82.7 | 113.8 | -3.3 | 30.7 | -32.9 | 0 | 0 | 0 | 113.3 | E280 A281 P460 I464 V465 Y466 | E280-P462 HydrophobicContact CB-CG 4.22Å; A281-P462 HydrophobicContact CB-CB 3.9Å; A281-P462 HydrophobicContact CB-CG 3.87Å; P460-P462 CarbonylContact O-C 3.34Å; P462-I464 VanDerWaalsContact C-N 3.3Å; P462-I464 PolarHBondContact O-N 3.28Å; P462-I464 VanDerWaalsContact O-N 3.15Å; P462-V465 HydrophobicContact CB-CG2 4Å; P462-V465 HydrophobicContact CG-CB 4.04Å; P462-V465 HydrophobicContact CG-CG2 3.57Å; P462-V465 WeakPolarHBondContact O-CB 3.32Å; P462-V465 PolarHBondContact O-N 3.37Å; P462-Y466 WeakPolarHBondContact O-CD2 3.43Å |
| 463 | Q | 82.9 | Confident | 83.3 | Confident | 84 Ų | 84 | 51.1 Ų | 51.1 | 39% | 0.393 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -50.9 | -44.6 | -173.2 | -70.3 | 166.3 | -20.3 | 0 | 0 | 113.3 | Y456 P460 V465 Y466 T467 | Y456-Q463 WeakPolarHBondContact O-CG 3.46Å; Y456-Q463 PolarHBondContact O-NE2 2.91Å; Y456-Q463 PolarHBondContact O-OE1 3.48Å; P460-Q463 PolarHBondContact O-N 3.31Å; Q463-V465 PolarHBondContact O-N 3.01Å; Q463-Y466 PolarHBondContact O-N 3.11Å; Q463-T467 WeakPolarHBondContact O-CB 3.28Å; Q463-T467 PolarHBondContact O-N 2.92Å; Q463-T467 PolarHBondContact O-OG1 2.87Å |
| 464 | I | 78.9 | Confident | 83.1 | Confident | 86 Ų | 86 | 49.1 Ų | 49.1 | 44% | 0.441 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -58.5 | -34.2 | -177.7 | -161.5 | 74.1 | 0 | 0 | 0 | 113 | Y456 P462 L468 | Y456-I464 HydrophobicContact CE2-CD1 4.4Å; P462-I464 VanDerWaalsContact C-N 3.3Å; P462-I464 PolarHBondContact O-N 3.28Å; P462-I464 VanDerWaalsContact O-N 3.15Å; I464-L468 WeakPolarHBondContact O-CB 2.87Å; I464-L468 PolarHBondContact O-N 3.16Å |
| 465 | V | 75.2 | Confident | 82.7 | Confident | 12 Ų | 12 | 45.9 Ų | 45.9 | 7% | 0.073 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -73 | -47.9 | -177.8 | -176.4 | 0 | 0 | 0 | 0 | 109.7 | Y266 A281 Y285 P462 Q463 T467 L468 V469 | Y266-V465 VanDerWaalsContact OH-CG2 3.26Å; Y266-V465 WeakPolarHBondContact OH-CG2 3.43Å; A281-V465 HydrophobicContact CB-CG2 3.76Å; Y285-V465 HydrophobicContact CE2-CG1 4.4Å; Y285-V465 WeakPolarHBondContact OH-CG1 3.27Å; P462-V465 HydrophobicContact CB-CG2 4Å; P462-V465 HydrophobicContact CG-CB 4.04Å; P462-V465 HydrophobicContact CG-CG2 3.57Å; P462-V465 WeakPolarHBondContact O-CB 3.32Å; P462-V465 PolarHBondContact O-N 3.37Å; Q463-V465 PolarHBondContact O-N 3.01Å; V465-T467 PolarHBondContact O-N 2.92Å; V465-L468 PolarHBondContact O-N 2.96Å; V465-V469 VanDerWaalsContact O-CG2 3.31Å; V465-V469 WeakPolarHBondContact O-CG2 3.42Å; V465-V469 PolarHBondContact O-N 3.2Å |
| 466 | Y | 81 | Confident | 82.1 | Confident | 70 Ų | 70 | 45.9 Ų | 45.9 | 28% | 0.275 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.7 | -44.9 | 175.9 | -75.9 | -80.5 | 0 | 0 | 0 | 111.8 | W455 P460 P462 Q463 L468 V469 I470 L803 | W455-Y466 AromaticContact CE3-CD1 3.92Å; W455-Y466 HydrophobicContact CE3-CD1 3.92Å; W455-Y466 HydrophobicContact CE3-CG 4.04Å; W455-Y466 HydrophobicContact CH2-CD1 4.46Å; W455-Y466 AromaticContact CZ3-CD1 3.57Å; W455-Y466 HydrophobicContact CZ3-CD1 3.57Å; W455-Y466 HydrophobicContact CZ3-CE1 4.18Å; W455-Y466 HydrophobicContact CZ3-CG 4.09Å; P460-Y466 HydrophobicContact CB-CE2 4.29Å; P460-Y466 HydrophobicContact CG-CD1 4.31Å; P460-Y466 HydrophobicContact CG-CD2 3.97Å; P460-Y466 HydrophobicContact CG-CE1 4.02Å; P460-Y466 HydrophobicContact CG-CE2 3.66Å; P460-Y466 HydrophobicContact CG-CG 4.29Å; P460-Y466 WeakPolarHBondContact O-CD2 3.29Å; P462-Y466 WeakPolarHBondContact O-CD2 3.43Å; Q463-Y466 PolarHBondContact O-N 3.11Å; Y466-L468 VanDerWaalsContact C-N 3.34Å; Y466-L468 PolarHBondContact O-N 2.95Å; Y466-V469 PolarHBondContact O-N 2.93Å; Y466-I470 WeakPolarHBondContact O-CB 3.38Å; Y466-I470 WeakPolarHBondContact O-CG1 3.42Å; Y466-I470 PolarHBondContact O-N 3.36Å; Y466-L803 HydrophobicContact CD1-CD1 3.43Å; Y466-L803 VanDerWaalsContact CD1-CD1 3.43Å; Y466-L803 HydrophobicContact CE1-CD1 3.7Å |
| 467 | T | 85.2 | Confident | 81.8 | Confident | 22 Ų | 22 | 40.9 Ų | 40.9 | 14% | 0.135 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -54.1 | -49.3 | 173.4 | -65.9 | 0 | 0 | 0 | 0 | 111.8 | A452 Y456 Q463 V465 A471 | A452-T467 HydrophobicContact CB-CG2 3.79Å; A452-T467 WeakPolarHBondContact O-CG2 3.31Å; A452-T467 PolarHBondContact O-OG1 3.27Å; Y456-T467 VanDerWaalsContact CA-OG1 3.23Å; Y456-T467 WeakPolarHBondContact CA-OG1 3.47Å; Y456-T467 WeakPolarHBondContact CB-OG1 3.4Å; Y456-T467 PolarHBondContact N-OG1 3.26Å; Y456-T467 VanDerWaalsContact N-OG1 3.12Å; Q463-T467 WeakPolarHBondContact O-CB 3.28Å; Q463-T467 PolarHBondContact O-N 2.92Å; Q463-T467 PolarHBondContact O-OG1 2.87Å; V465-T467 PolarHBondContact O-N 2.92Å; T467-A471 VanDerWaalsContact O-CB 3.28Å; T467-A471 WeakPolarHBondContact O-CB 3.46Å; T467-A471 PolarHBondContact O-N 3.33Å |
| 468 | L | 79 | Confident | 81.3 | Confident | 25 Ų | 25 | 34.4 Ų | 34.4 | 13% | 0.131 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.2 | -44.8 | -178.8 | 177.6 | 60.8 | 0 | 0 | 0 | 112.2 | V262 Y266 I464 V465 Y466 T472 | V262-L468 HydrophobicContact CB-CD1 4.19Å; V262-L468 HydrophobicContact CG1-CD1 3.26Å; Y266-L468 HydrophobicContact CD1-CD2 3.83Å; Y266-L468 HydrophobicContact CD2-CD2 3.85Å; Y266-L468 HydrophobicContact CE1-CD2 4.48Å; Y266-L468 HydrophobicContact CG-CD2 3.46Å; Y266-L468 VanDerWaalsContact CG-CD2 3.46Å; I464-L468 WeakPolarHBondContact O-CB 2.87Å; I464-L468 PolarHBondContact O-N 3.16Å; V465-L468 PolarHBondContact O-N 2.96Å; Y466-L468 VanDerWaalsContact C-N 3.34Å; Y466-L468 PolarHBondContact O-N 2.95Å; L468-T472 VanDerWaalsContact O-CB 3.25Å; L468-T472 WeakPolarHBondContact O-CB 3.43Å; L468-T472 PolarHBondContact O-N 3.13Å; L468-T472 PolarHBondContact O-OG1 3.18Å |
| 469 | V | 79.9 | Confident | 80.7 | Confident | 20 Ų | 20 | 26.4 Ų | 26.4 | 12% | 0.121 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.4 | -49.2 | 179.3 | 171.5 | 0 | 0 | 0 | 0 | 110.3 | Y285 V465 Y466 T472 T473 P806 | Y285-V469 HydrophobicContact CE1-CG2 3.88Å; Y285-V469 VanDerWaalsContact OH-CG2 3.29Å; Y285-V469 WeakPolarHBondContact OH-CG2 3.34Å; V465-V469 VanDerWaalsContact O-CG2 3.31Å; V465-V469 WeakPolarHBondContact O-CG2 3.42Å; V465-V469 PolarHBondContact O-N 3.2Å; Y466-V469 PolarHBondContact O-N 2.93Å; V469-T472 PolarHBondContact O-N 2.89Å; V469-T473 WeakPolarHBondContact O-CB 3.25Å; V469-T473 PolarHBondContact O-N 3.48Å; V469-T473 PolarHBondContact O-OG1 2.82Å; V469-P806 HydrophobicContact CG1-CG 4.45Å |
| 470 | I | 86.6 | Confident | 80.2 | Confident | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.01 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.7 | -49.4 | 179.8 | -67.8 | -74.8 | 0 | 0 | 0 | 111.1 | W455 Y466 T472 T473 V474 A792 L803 | W455-I470 HydrophobicContact CD2-CD1 4.34Å; W455-I470 HydrophobicContact CD2-CG1 3.95Å; W455-I470 HydrophobicContact CG-CB 4.5Å; W455-I470 HydrophobicContact CG-CG1 3.83Å; W455-I470 HydrophobicContact CZ2-CD1 4.12Å; Y466-I470 WeakPolarHBondContact O-CB 3.38Å; Y466-I470 WeakPolarHBondContact O-CG1 3.42Å; Y466-I470 PolarHBondContact O-N 3.36Å; I470-T472 VanDerWaalsContact C-N 3.29Å; I470-T472 PolarHBondContact O-N 3.16Å; I470-T473 PolarHBondContact O-N 2.89Å; I470-V474 HydrophobicContact CG2-CG2 4.25Å; I470-V474 WeakPolarHBondContact O-CB 3.21Å; I470-V474 VanDerWaalsContact O-CG2 3.22Å; I470-V474 WeakPolarHBondContact O-CG2 3.32Å; I470-V474 PolarHBondContact O-N 3.46Å; I470-A792 WeakPolarHBondContact CD1-O 3.19Å; I470-L803 HydrophobicContact CD1-CD1 4.1Å; I470-L803 HydrophobicContact CD1-CD2 3.64Å; I470-L803 HydrophobicContact CD1-CG 4.44Å; I470-L803 HydrophobicContact CG1-CD1 4.43Å |
| 471 | A | 85.1 | Confident | 79.6 | Confident | 21 Ų | 21 | 26.1 Ų | 26.1 | 17% | 0.174 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -55.4 | -49 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | A452 T467 L475 | A452-A471 HydrophobicContact CB-CB 4Å; T467-A471 VanDerWaalsContact O-CB 3.28Å; T467-A471 WeakPolarHBondContact O-CB 3.46Å; T467-A471 PolarHBondContact O-N 3.33Å; A471-L475 VanDerWaalsContact O-CG 3.23Å; A471-L475 WeakPolarHBondContact O-CG 3.28Å; A471-L475 PolarHBondContact O-N 2.92Å; A471-L475 VanDerWaalsContact O-N 3.12Å |
| 472 | T | 77.5 | Confident | 79.3 | Confident | 11 Ų | 11 | 22.7 Ų | 22.7 | 7% | 0.067 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67.2 | -45.7 | -177.4 | -55.4 | 0 | 0 | 0 | 0 | 111.6 | L468 V469 I470 L475 I476 | L468-T472 VanDerWaalsContact O-CB 3.25Å; L468-T472 WeakPolarHBondContact O-CB 3.43Å; L468-T472 PolarHBondContact O-N 3.13Å; L468-T472 PolarHBondContact O-OG1 3.18Å; V469-T472 PolarHBondContact O-N 2.89Å; I470-T472 VanDerWaalsContact C-N 3.29Å; I470-T472 PolarHBondContact O-N 3.16Å; T472-L475 PolarHBondContact O-N 3.4Å; T472-I476 HydrophobicContact CG2-CD1 3.57Å; T472-I476 HydrophobicContact CG2-CG1 4.42Å; T472-I476 VanDerWaalsContact O-CD1 3.3Å; T472-I476 WeakPolarHBondContact O-CD1 3.43Å; T472-I476 WeakPolarHBondContact O-CG1 3.46Å; T472-I476 PolarHBondContact O-N 3.26Å |
| 473 | T | 83.1 | Confident | 79 | Confident | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.7 | -43.1 | 179.1 | -57.2 | 0 | 0 | 0 | 0 | 111.8 | V469 I470 L475 I476 I477 A792 L804 P806 A809 | V469-T473 WeakPolarHBondContact O-CB 3.25Å; V469-T473 PolarHBondContact O-N 3.48Å; V469-T473 PolarHBondContact O-OG1 2.82Å; I470-T473 PolarHBondContact O-N 2.89Å; T473-L475 VanDerWaalsContact C-N 3.33Å; T473-L475 PolarHBondContact O-N 3.41Å; T473-I476 PolarHBondContact O-N 3.27Å; T473-I477 WeakPolarHBondContact O-CB 3.49Å; T473-I477 WeakPolarHBondContact O-CG2 3.33Å; T473-I477 PolarHBondContact O-N 2.86Å; T473-A792 HydrophobicContact CG2-CB 3.61Å; T473-L804 HydrophobicContact CG2-CB 3.95Å; T473-L804 HydrophobicContact CG2-CD2 3.84Å; T473-L804 HydrophobicContact CG2-CG 3.93Å; T473-L804 VanDerWaalsContact CG2-O 3.32Å; T473-L804 WeakPolarHBondContact CG2-O 3.32Å; T473-L804 PolarHBondContact OG1-O 3.23Å; T473-P806 WeakPolarHBondContact OG1-CD 3.19Å; T473-P806 VanDerWaalsContact OG1-CG 3.31Å; T473-P806 WeakPolarHBondContact OG1-CG 3.37Å; T473-A809 HydrophobicContact CG2-CB 3.96Å |
| 474 | V | 86.8 | Confident | 78.1 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.6 | -42.3 | 177.5 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | I447 A448 I470 I477 A478 I789 A792 A793 | I447-V474 HydrophobicContact CG2-CG1 4.14Å; A448-V474 HydrophobicContact CB-CB 4.13Å; A448-V474 HydrophobicContact CB-CG1 3.82Å; I470-V474 HydrophobicContact CG2-CG2 4.25Å; I470-V474 WeakPolarHBondContact O-CB 3.21Å; I470-V474 VanDerWaalsContact O-CG2 3.22Å; I470-V474 WeakPolarHBondContact O-CG2 3.32Å; I470-V474 PolarHBondContact O-N 3.46Å; V474-I477 WeakPolarHBondContact O-CG2 3.42Å; V474-A478 VanDerWaalsContact O-CB 3.23Å; V474-A478 WeakPolarHBondContact O-CB 3.44Å; V474-A478 PolarHBondContact O-N 3.23Å; V474-I789 HydrophobicContact CG1-CG2 4.37Å; V474-A792 HydrophobicContact CB-CB 4.45Å; V474-A792 HydrophobicContact CG2-CB 3.78Å; V474-A793 HydrophobicContact CG2-CB 4.11Å |
| 475 | L | 82.4 | Confident | 77.6 | Confident | 17 Ų | 17 | 16 Ų | 16 | 9% | 0.089 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -66.9 | -39 | 177.5 | -67.9 | 179.6 | 0 | 0 | 0 | 112.6 | L255 L258 V444 V445 A448 A471 T472 T473 | L255-L475 HydrophobicContact CD2-CD1 4.47Å; L255-L475 HydrophobicContact CD2-CD2 3.73Å; L255-L475 HydrophobicContact CD2-CG 4.49Å; L258-L475 HydrophobicContact CD2-CD1 4.14Å; V444-L475 HydrophobicContact CG1-CD2 4.07Å; V445-L475 HydrophobicContact CG2-CD2 4.24Å; A448-L475 HydrophobicContact CB-CD2 3.58Å; A448-L475 HydrophobicContact CB-CG 3.81Å; A471-L475 VanDerWaalsContact O-CG 3.23Å; A471-L475 WeakPolarHBondContact O-CG 3.28Å; A471-L475 PolarHBondContact O-N 2.92Å; A471-L475 VanDerWaalsContact O-N 3.12Å; T472-L475 PolarHBondContact O-N 3.4Å; T473-L475 VanDerWaalsContact C-N 3.33Å; T473-L475 PolarHBondContact O-N 3.41Å |
| 476 | I | 76.9 | Confident | 77.6 | Confident | 18 Ų | 18 | 15.4 Ų | 15.4 | 9% | 0.092 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -70.8 | -50.1 | -179.4 | -67.5 | 158.7 | 0 | 0 | 0 | 111.4 | I292 T472 T473 A478 C479 P806 A809 | I292-I476 HydrophobicContact CD1-CD1 3.27Å; I292-I476 HydrophobicContact CD1-CG1 4.13Å; I292-I476 HydrophobicContact CG1-CD1 3.8Å; I292-I476 HydrophobicContact CG1-CG1 4.41Å; T472-I476 HydrophobicContact CG2-CD1 3.57Å; T472-I476 HydrophobicContact CG2-CG1 4.42Å; T472-I476 VanDerWaalsContact O-CD1 3.3Å; T472-I476 WeakPolarHBondContact O-CD1 3.43Å; T472-I476 WeakPolarHBondContact O-CG1 3.46Å; T472-I476 PolarHBondContact O-N 3.26Å; T473-I476 PolarHBondContact O-N 3.27Å; I476-A478 PolarHBondContact O-N 3.47Å; I476-A478 VanDerWaalsContact O-N 3.17Å; I476-C479 PolarHBondContact O-N 2.87Å; I476-C479 VanDerWaalsContact O-N 3.14Å; I476-P806 HydrophobicContact CD1-CB 3.89Å; I476-A809 HydrophobicContact CB-CB 4.47Å; I476-A809 HydrophobicContact CG2-CB 4.01Å |
| 477 | I | 81.6 | Confident | 77.4 | Confident | 4 Ų | 4 | 12.3 Ų | 12.3 | 2% | 0.021 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.2 | -27.9 | -175.6 | -162.2 | 71.4 | 0 | 0 | 0 | 111.4 | T473 V474 C479 Y784 N785 I789 A792 L804 A809 | T473-I477 WeakPolarHBondContact O-CB 3.49Å; T473-I477 WeakPolarHBondContact O-CG2 3.33Å; T473-I477 PolarHBondContact O-N 2.86Å; V474-I477 WeakPolarHBondContact O-CG2 3.42Å; I477-C479 VanDerWaalsContact C-N 3.29Å; I477-C479 PolarHBondContact O-N 3.44Å; I477-Y784 HydrophobicContact CD1-CE1 4.33Å; I477-Y784 WeakPolarHBondContact CD1-OH 3.3Å; I477-N785 PolarHBondContact O-OD1 3.26Å; I477-I789 HydrophobicContact CG2-CG1 4.13Å; I477-A792 HydrophobicContact CB-CB 4.39Å; I477-A792 HydrophobicContact CG2-CB 3.67Å; I477-L804 HydrophobicContact CD1-CD2 4.02Å; I477-L804 HydrophobicContact CG1-CD2 4.34Å; I477-A809 HydrophobicContact CB-CB 3.95Å; I477-A809 HydrophobicContact CD1-CB 3.57Å; I477-A809 HydrophobicContact CG1-CB 4.33Å |
| 478 | A | 81.1 | Confident | 76.7 | Confident | 2 Ų | 2 | 13.1 Ų | 13.1 | 2% | 0.017 | 9% | 0.09 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 2.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | F440 V444 V474 I476 P480 I789 | F440-A478 HydrophobicContact CE1-CB 4.35Å; F440-A478 VanDerWaalsContact CE1-O 3.28Å; F440-A478 WeakPolarHBondContact CE1-O 3.29Å; F440-A478 HydrophobicContact CZ-CB 4.35Å; V444-A478 HydrophobicContact CB-CB 4.18Å; V444-A478 HydrophobicContact CG1-CB 3.34Å; V444-A478 HydrophobicContact CG2-CB 3.74Å; V474-A478 VanDerWaalsContact O-CB 3.23Å; V474-A478 WeakPolarHBondContact O-CB 3.44Å; V474-A478 PolarHBondContact O-N 3.23Å; I476-A478 PolarHBondContact O-N 3.47Å; I476-A478 VanDerWaalsContact O-N 3.17Å; A478-P480 VanDerWaalsContact O-CD 3.23Å; A478-P480 WeakPolarHBondContact O-CD 3.34Å; A478-P480 VanDerWaalsContact O-N 3.08Å; A478-I789 HydrophobicContact CB-CD1 3.95Å; A478-I789 HydrophobicContact CB-CG1 3.93Å |
| 479 | C | 75.3 | Confident | 76.4 | Confident | 10 Ų | 10 | 12.1 Ų | 12.1 | 7% | 0.068 | 8% | 0.084 | C | C | . | . | trans | -56.4 | 121.7 | 179.5 | -174.6 | 0 | 0 | 0 | 0 | 111.3 | M252 I476 I477 C481 N785 M813 | M252-C479 PolarHBondContact SD-SG 3.44Å; I476-C479 PolarHBondContact O-N 2.87Å; I476-C479 VanDerWaalsContact O-N 3.14Å; I477-C479 VanDerWaalsContact C-N 3.29Å; I477-C479 PolarHBondContact O-N 3.44Å; C479-C481 HydrophobicContact CB-CB 4.35Å; C479-C481 WeakPolarHBondContact CB-SG 3.42Å; C479-C481 PolarHBondContact O-N 3.19Å; C479-C481 WeakPolarHBondContact SG-CB 3.33Å; C479-C481 PolarHBondContact SG-N 2.87Å; C479-C481 CovalentContact SG-SG 2.08Å; C479-C481 PolarHBondContact SG-SG 2.91Å; C479-N785 PolarHBondContact O-ND2 3.47Å; C479-M813 HydrophobicContact CB-CG 3.89Å; C479-M813 HydrophobicContact CB-SD 3.63Å | ||
| 480 | P | 69.6 | Low | 76.5 | Confident | 22 Ų | 22 | 11.2 Ų | 11.2 | 14% | 0.143 | 8% | 0.079 | C | C | . | . | trans | -80.9 | 27.1 | 175.8 | 35.3 | -35.4 | 0 | 0 | 0 | 112.5 | A478 A482 L483 G484 | A478-P480 VanDerWaalsContact O-CD 3.23Å; A478-P480 WeakPolarHBondContact O-CD 3.34Å; A478-P480 VanDerWaalsContact O-N 3.08Å; P480-A482 VanDerWaalsContact C-N 3.29Å; P480-A482 PolarHBondContact O-N 3.43Å; P480-L483 HydrophobicContact CB-CB 4.05Å; P480-L483 HydrophobicContact CB-CD2 4.15Å; P480-L483 WeakPolarHBondContact O-CA 3.47Å; P480-L483 WeakPolarHBondContact O-CB 3.38Å; P480-L483 PolarHBondContact O-N 2.86Å; P480-G484 PolarHBondContact O-N 3.41Å | ||
| 481 | C | 68.6 | Low | 76.1 | Confident | 24 Ų | 24 | 11.4 Ų | 11.4 | 16% | 0.162 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -51.2 | -46.2 | -176.4 | -65.7 | 0 | 0 | 0 | 0 | 112.1 | M252 C479 L483 | M252-C481 VanDerWaalsContact SD-SG 3.61Å; C479-C481 HydrophobicContact CB-CB 4.35Å; C479-C481 WeakPolarHBondContact CB-SG 3.42Å; C479-C481 PolarHBondContact O-N 3.19Å; C479-C481 WeakPolarHBondContact SG-CB 3.33Å; C479-C481 PolarHBondContact SG-N 2.87Å; C479-C481 CovalentContact SG-SG 2.08Å; C479-C481 PolarHBondContact SG-SG 2.91Å; C481-L483 VanDerWaalsContact C-N 3.33Å; C481-L483 PolarHBondContact O-N 3.44Å |
| 482 | A | 70.9 | Confident | 75.5 | Confident | 5 Ų | 5 | 11.5 Ų | 11.5 | 4% | 0.041 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -69.3 | -28.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | P480 L485 A486 A781 S816 V820 | P480-A482 VanDerWaalsContact C-N 3.29Å; P480-A482 PolarHBondContact O-N 3.43Å; A482-L485 PolarHBondContact O-N 3.4Å; A482-A486 PolarHBondContact O-N 2.93Å; A482-A486 VanDerWaalsContact O-N 3.14Å; A482-A781 HydrophobicContact CB-CB 3.97Å; A482-S816 WeakPolarHBondContact CB-OG 3.22Å; A482-V820 HydrophobicContact CB-CG2 3.96Å |
| 483 | L | 70.8 | Confident | 75.4 | Confident | 7 Ų | 7 | 13 Ų | 13 | 4% | 0.037 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -67.5 | -42.5 | -179.5 | -171.6 | 70.8 | 0 | 0 | 0 | 111.3 | A433 S437 P480 C481 L485 A486 L778 A781 F782 | A433-L483 HydrophobicContact CB-CG 4.43Å; S437-L483 WeakPolarHBondContact OG-CD2 3.37Å; P480-L483 HydrophobicContact CB-CB 4.05Å; P480-L483 HydrophobicContact CB-CD2 4.15Å; P480-L483 WeakPolarHBondContact O-CA 3.47Å; P480-L483 WeakPolarHBondContact O-CB 3.38Å; P480-L483 PolarHBondContact O-N 2.86Å; C481-L483 VanDerWaalsContact C-N 3.33Å; C481-L483 PolarHBondContact O-N 3.44Å; L483-L485 PolarHBondContact O-N 3.36Å; L483-A486 PolarHBondContact O-N 3.35Å; L483-L778 HydrophobicContact CD1-CD2 3.41Å; L483-L778 VanDerWaalsContact CD1-CD2 3.41Å; L483-L778 HydrophobicContact CG-CD2 4.29Å; L483-A781 HydrophobicContact CB-CB 4.34Å; L483-A781 HydrophobicContact CD1-CB 4.35Å; L483-F782 HydrophobicContact CD1-CD2 3.81Å; L483-F782 HydrophobicContact CD1-CE2 3.31Å; L483-F782 HydrophobicContact CD1-CZ 3.69Å; L483-F782 HydrophobicContact CD2-CE1 4.29Å; L483-F782 HydrophobicContact CD2-CE2 4.27Å; L483-F782 HydrophobicContact CD2-CZ 3.76Å; L483-F782 HydrophobicContact CG-CE2 4.45Å; L483-F782 HydrophobicContact CG-CZ 4.42Å |
| 484 | G | 65 | Low | 75.4 | Confident | 40 Ų | 40 | 13.1 Ų | 13.1 | 41% | 0.412 | 9% | 0.09 | S | C | . | . | H | α-helix | trans | -68.1 | -18.9 | 178 | 0 | 0 | 0 | 0 | 0 | 114.4 | P480 P488 | P480-G484 PolarHBondContact O-N 3.41Å; G484-P488 WeakPolarHBondContact O-CD 3.39Å |
| 485 | L | 68.7 | Low | 75 | Confident | 3 Ų | 3 | 13.1 Ų | 13.1 | 2% | 0.016 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -91.9 | -29.3 | 178.3 | -82 | 170.8 | 0 | 0 | 0 | 113.7 | E303 A482 L483 T487 P488 M489 V820 | E303-L485 HydrophobicContact CB-CD1 4.04Å; E303-L485 HydrophobicContact CB-CD2 3.92Å; E303-L485 HydrophobicContact CB-CG 4.41Å; E303-L485 HydrophobicContact CG-CD1 4.39Å; E303-L485 HydrophobicContact CG-CD2 3.48Å; E303-L485 VanDerWaalsContact CG-CD2 3.48Å; E303-L485 HydrophobicContact CG-CG 4.23Å; A482-L485 PolarHBondContact O-N 3.4Å; L483-L485 PolarHBondContact O-N 3.36Å; L485-T487 VanDerWaalsContact C-N 3.34Å; L485-T487 PolarHBondContact O-N 3.15Å; L485-P488 WeakPolarHBondContact O-CD 3.4Å; L485-M489 HydrophobicContact CD2-CG 4.4Å; L485-M489 WeakPolarHBondContact O-CB 3.36Å; L485-M489 VanDerWaalsContact O-CG 3.3Å; L485-M489 WeakPolarHBondContact O-CG 3.4Å; L485-M489 PolarHBondContact O-N 3.48Å; L485-M489 VanDerWaalsContact O-N 3.16Å; L485-V820 HydrophobicContact CB-CG1 4.29Å |
| 486 | A | 75.5 | Confident | 74.7 | Confident | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -53.9 | -48.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A482 L483 S490 N777 L778 V820 | A482-A486 PolarHBondContact O-N 2.93Å; A482-A486 VanDerWaalsContact O-N 3.14Å; L483-A486 PolarHBondContact O-N 3.35Å; A486-S490 PolarHBondContact O-N 2.95Å; A486-S490 PolarHBondContact O-OG 3.12Å; A486-N777 HydrophobicContact CB-CB 3.6Å; A486-L778 HydrophobicContact CB-CD2 3.67Å; A486-L778 HydrophobicContact CB-CG 4Å; A486-V820 HydrophobicContact CB-CG1 4.17Å |
| 487 | T | 75.6 | Confident | 74.8 | Confident | 4 Ų | 4 | 17.2 Ų | 17.2 | 3% | 0.025 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -73.1 | -54.2 | -177.4 | -63.5 | 0 | 0 | 0 | 0 | 113.6 | P427 L485 M489 S490 I491 M774 | P427-T487 HydrophobicContact CG-CG2 3.69Å; L485-T487 VanDerWaalsContact C-N 3.34Å; L485-T487 PolarHBondContact O-N 3.15Å; T487-M489 VanDerWaalsContact C-N 3.28Å; T487-M489 PolarHBondContact O-N 3.07Å; T487-S490 PolarHBondContact O-N 3.45Å; T487-I491 HydrophobicContact CG2-CD1 3.66Å; T487-I491 HydrophobicContact CG2-CG1 4.38Å; T487-I491 WeakPolarHBondContact O-CG1 3.46Å; T487-I491 PolarHBondContact O-N 2.82Å; T487-M774 HydrophobicContact CG2-CE 3.84Å; T487-M774 HydrophobicContact CG2-SD 3.56Å; T487-M774 VanDerWaalsContact CG2-SD 3.56Å; T487-M774 PolarHBondContact OG1-SD 2.92Å |
| 488 | P | 70.8 | Confident | 74.8 | Confident | 39 Ų | 39 | 17.1 Ų | 17.1 | 25% | 0.253 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -59 | -38.1 | -178.5 | -25.7 | 35.5 | 0 | 0 | 0 | 113.2 | G484 L485 I491 I492 | G484-P488 WeakPolarHBondContact O-CD 3.39Å; L485-P488 WeakPolarHBondContact O-CD 3.4Å; P488-I491 PolarHBondContact O-N 3.23Å; P488-I492 VanDerWaalsContact O-CB 3.29Å; P488-I492 WeakPolarHBondContact O-CB 3.3Å; P488-I492 WeakPolarHBondContact O-CD1 3.43Å; P488-I492 WeakPolarHBondContact O-CG1 3.41Å; P488-I492 PolarHBondContact O-N 2.92Å |
| 489 | M | 73.8 | Confident | 74.6 | Confident | 4 Ų | 4 | 18 Ų | 18 | 2% | 0.02 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67.2 | -41.5 | 179.5 | -69.9 | -61.2 | 103.9 | 0 | 0 | 112.3 | A306 R307 L485 T487 I492 S493 | A306-M489 HydrophobicContact CB-CE 4.45Å; A306-M489 HydrophobicContact CB-SD 3.63Å; R307-M489 HydrophobicContact CG-CE 3.62Å; L485-M489 HydrophobicContact CD2-CG 4.4Å; L485-M489 WeakPolarHBondContact O-CB 3.36Å; L485-M489 VanDerWaalsContact O-CG 3.3Å; L485-M489 WeakPolarHBondContact O-CG 3.4Å; L485-M489 PolarHBondContact O-N 3.48Å; L485-M489 VanDerWaalsContact O-N 3.16Å; T487-M489 VanDerWaalsContact C-N 3.28Å; T487-M489 PolarHBondContact O-N 3.07Å; M489-I492 HydrophobicContact CE-CD1 3.82Å; M489-S493 WeakPolarHBondContact O-CB 3.3Å; M489-S493 PolarHBondContact O-N 2.96Å |
| 490 | S | 80.6 | Confident | 74.5 | Confident | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.007 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.1 | -43 | 176.4 | -62.7 | 0 | 0 | 0 | 0 | 111.7 | A486 T487 S493 G494 T770 N773 M774 N777 | A486-S490 PolarHBondContact O-N 2.95Å; A486-S490 PolarHBondContact O-OG 3.12Å; T487-S490 PolarHBondContact O-N 3.45Å; S490-S493 PolarHBondContact O-N 3.28Å; S490-G494 PolarHBondContact O-N 3.02Å; S490-T770 WeakPolarHBondContact O-CG2 3.41Å; S490-N773 PolarHBondContact OG-OD1 3.41Å; S490-M774 WeakPolarHBondContact OG-CA 3.35Å; S490-M774 PolarHBondContact OG-N 3.16Å; S490-N777 PolarHBondContact OG-ND2 3.31Å |
| 491 | I | 78.9 | Confident | 74.8 | Confident | 6 Ų | 6 | 25.4 Ų | 25.4 | 3% | 0.031 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.2 | -52.1 | 177.6 | -64.8 | 161.1 | 0 | 0 | 0 | 110.7 | P427 T487 P488 S493 G494 V495 A508 M774 | P427-I491 HydrophobicContact CG-CD1 3.59Å; P427-I491 HydrophobicContact CG-CG1 4.2Å; T487-I491 HydrophobicContact CG2-CD1 3.66Å; T487-I491 HydrophobicContact CG2-CG1 4.38Å; T487-I491 WeakPolarHBondContact O-CG1 3.46Å; T487-I491 PolarHBondContact O-N 2.82Å; P488-I491 PolarHBondContact O-N 3.23Å; I491-S493 VanDerWaalsContact C-N 3.27Å; I491-S493 PolarHBondContact O-N 2.91Å; I491-G494 PolarHBondContact O-N 3.16Å; I491-V495 HydrophobicContact CG2-CG2 3.88Å; I491-V495 WeakPolarHBondContact O-CB 2.97Å; I491-V495 WeakPolarHBondContact O-CG2 3.33Å; I491-V495 PolarHBondContact O-N 3.26Å; I491-A508 HydrophobicContact CD1-CB 3.9Å; I491-A508 HydrophobicContact CG1-CB 4.06Å; I491-A508 HydrophobicContact CG2-CB 3.72Å; I491-M774 HydrophobicContact CD1-CE 4.4Å; I491-M774 HydrophobicContact CG1-CE 3.75Å |
| 492 | I | 71.9 | Confident | 75.3 | Confident | 23 Ų | 23 | 24.4 Ų | 24.4 | 12% | 0.118 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.1 | -44.2 | -178.3 | -77.5 | 171.4 | 0 | 0 | 0 | 111 | S310 Q423 P488 M489 G496 | S310-I492 WeakPolarHBondContact OG-CG2 3.44Å; Q423-I492 HydrophobicContact CG-CG1 4.19Å; P488-I492 VanDerWaalsContact O-CB 3.29Å; P488-I492 WeakPolarHBondContact O-CB 3.3Å; P488-I492 WeakPolarHBondContact O-CD1 3.43Å; P488-I492 WeakPolarHBondContact O-CG1 3.41Å; P488-I492 PolarHBondContact O-N 2.92Å; M489-I492 HydrophobicContact CE-CD1 3.82Å; I492-G496 PolarHBondContact O-N 3.01Å |
| 493 | S | 76.4 | Confident | 76 | Confident | 42 Ų | 42 | 24.2 Ų | 24.2 | 29% | 0.294 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -67.5 | -39.3 | 175.9 | -172 | 0 | 0 | 0 | 0 | 112.6 | M489 S490 I491 R497 | M489-S493 WeakPolarHBondContact O-CB 3.3Å; M489-S493 PolarHBondContact O-N 2.96Å; S490-S493 PolarHBondContact O-N 3.28Å; I491-S493 VanDerWaalsContact C-N 3.27Å; I491-S493 PolarHBondContact O-N 2.91Å; S493-R497 WeakPolarHBondContact O-CB 3.49Å; S493-R497 PolarHBondContact O-N 3.47Å |
| 494 | G | 82.3 | Confident | 76.5 | Confident | 4 Ų | 4 | 24.1 Ų | 24.1 | 4% | 0.041 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -68.5 | -51.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S490 I491 R497 A498 T770 | S490-G494 PolarHBondContact O-N 3.02Å; I491-G494 PolarHBondContact O-N 3.16Å; G494-R497 PolarHBondContact O-N 3.06Å; G494-A498 WeakPolarHBondContact O-CB 3.48Å; G494-A498 PolarHBondContact O-N 3.3Å; G494-T770 WeakPolarHBondContact CA-OG1 3.24Å |
| 495 | V | 79 | Confident | 77.4 | Confident | 1 Ų | 1 | 22.3 Ų | 22.3 | 1% | 0.006 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.8 | -45 | 176.4 | 177 | 0 | 0 | 0 | 0 | 110.6 | V419 A422 I491 R497 A498 A499 L511 | V419-V495 HydrophobicContact CB-CG1 4.49Å; V419-V495 HydrophobicContact CG1-CG1 3.95Å; V419-V495 HydrophobicContact CG2-CG1 4.47Å; A422-V495 HydrophobicContact CB-CG1 4.05Å; A422-V495 HydrophobicContact CB-CG2 3.98Å; I491-V495 HydrophobicContact CG2-CG2 3.88Å; I491-V495 WeakPolarHBondContact O-CB 2.97Å; I491-V495 WeakPolarHBondContact O-CG2 3.33Å; I491-V495 PolarHBondContact O-N 3.26Å; V495-R497 VanDerWaalsContact C-N 3.3Å; V495-R497 PolarHBondContact O-N 2.85Å; V495-A498 PolarHBondContact O-N 3.44Å; V495-A499 PolarHBondContact O-N 3.06Å; V495-L511 HydrophobicContact CG2-CD1 3.68Å |
| 496 | G | 74.9 | Confident | 77.5 | Confident | 27 Ų | 27 | 25 Ų | 25 | 28% | 0.278 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -59.3 | -42.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I492 A499 E500 | I492-G496 PolarHBondContact O-N 3.01Å; G496-A499 PolarHBondContact O-N 3.07Å; G496-E500 PolarHBondContact O-N 2.92Å |
| 497 | R | 78.9 | Confident | 77.3 | Confident | 94 Ų | 94 | 26.4 Ų | 26.4 | 36% | 0.355 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -69.3 | -38 | 176.2 | -170 | 59.1 | 165.7 | 162.8 | 10 | 112.6 | S493 G494 V495 A499 E500 F501 | S493-R497 WeakPolarHBondContact O-CB 3.49Å; S493-R497 PolarHBondContact O-N 3.47Å; G494-R497 PolarHBondContact O-N 3.06Å; V495-R497 VanDerWaalsContact C-N 3.3Å; V495-R497 PolarHBondContact O-N 2.85Å; R497-A499 VanDerWaalsContact C-N 3.34Å; R497-E500 WeakPolarHBondContact CD-OE2 3.22Å; R497-E500 IonicContact CZ-OE2 3.11Å; R497-E500 IonicContact NE-OE2 2.6Å; R497-E500 IonicContact NH1-OE2 3.94Å; R497-E500 PolarHBondContact NH1-OE2 3.3Å; R497-E500 PolarHBondContact O-N 3.29Å; R497-F501 HydrophobicContact CG-CD2 4.3Å; R497-F501 HydrophobicContact CG-CE2 4.17Å; R497-F501 VanDerWaalsContact O-CD2 3.31Å; R497-F501 WeakPolarHBondContact O-CD2 3.4Å; R497-F501 PolarHBondContact O-N 2.96Å |
| 498 | A | 82.8 | Confident | 77.3 | Confident | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.008 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.6 | -46.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | G494 V495 E500 F501 G502 V503 V505 I766 | G494-A498 WeakPolarHBondContact O-CB 3.48Å; G494-A498 PolarHBondContact O-N 3.3Å; V495-A498 PolarHBondContact O-N 3.44Å; A498-E500 VanDerWaalsContact C-N 3.33Å; A498-E500 PolarHBondContact O-N 2.83Å; A498-F501 CarbonylContact O-C 3.59Å; A498-F501 WeakPolarHBondContact O-CA 3.5Å; A498-F501 PolarHBondContact O-N 2.99Å; A498-G502 PolarHBondContact O-N 3.06Å; A498-V503 CarbonylContact C-O 3.02Å; A498-V503 HydrophobicContact CB-CB 4.07Å; A498-V503 HydrophobicContact CB-CG1 4.27Å; A498-V503 VanDerWaalsContact CB-O 3.3Å; A498-V503 WeakPolarHBondContact CB-O 3.26Å; A498-V503 WeakPolarHBondContact O-CA 3.43Å; A498-V503 WeakPolarHBondContact O-CB 3.4Å; A498-V503 PolarHBondContact O-N 3.11Å; A498-V503 VanDerWaalsContact O-O 3.14Å; A498-V505 HydrophobicContact CB-CG2 4.12Å; A498-I766 HydrophobicContact CB-CD1 4.39Å; A498-I766 HydrophobicContact CB-CG2 4.18Å |
| 499 | A | 75.7 | Confident | 77.8 | Confident | 21 Ų | 21 | 25.5 Ų | 25.5 | 17% | 0.174 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.5 | -40.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V419 V495 G496 R497 F501 G502 V503 | V419-A499 HydrophobicContact CG2-CB 4.2Å; V495-A499 PolarHBondContact O-N 3.06Å; G496-A499 PolarHBondContact O-N 3.07Å; R497-A499 VanDerWaalsContact C-N 3.34Å; A499-F501 PolarHBondContact O-N 3.42Å; A499-G502 PolarHBondContact O-N 3.14Å; A499-V503 PolarHBondContact N-O 2.75Å |
| 500 | E | 73.9 | Confident | 78.4 | Confident | 127 Ų | 127 | 25.3 Ų | 25.3 | 59% | 0.593 | 13% | 0.131 | S | C | * | . | H | α-helix | trans | -62.2 | -21.4 | 174.3 | -70.6 | 176.7 | 178.9 | 0 | 0 | 113.9 | G496 R497 A498 | G496-E500 PolarHBondContact O-N 2.92Å; R497-E500 WeakPolarHBondContact CD-OE2 3.22Å; R497-E500 IonicContact CZ-OE2 3.11Å; R497-E500 IonicContact NE-OE2 2.6Å; R497-E500 IonicContact NH1-OE2 3.94Å; R497-E500 PolarHBondContact NH1-OE2 3.3Å; R497-E500 PolarHBondContact O-N 3.29Å; A498-E500 VanDerWaalsContact C-N 3.33Å; A498-E500 PolarHBondContact O-N 2.83Å |
| 501 | F | 77 | Confident | 78.6 | Confident | 61 Ų | 61 | 25.6 Ų | 25.6 | 27% | 0.268 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 14.9 | 174 | -77.3 | -79.5 | 0 | 0 | 0 | 112.5 | R497 A498 A499 V503 R754 I766 | R497-F501 HydrophobicContact CG-CD2 4.3Å; R497-F501 HydrophobicContact CG-CE2 4.17Å; R497-F501 VanDerWaalsContact O-CD2 3.31Å; R497-F501 WeakPolarHBondContact O-CD2 3.4Å; R497-F501 PolarHBondContact O-N 2.96Å; A498-F501 CarbonylContact O-C 3.59Å; A498-F501 WeakPolarHBondContact O-CA 3.5Å; A498-F501 PolarHBondContact O-N 2.99Å; A499-F501 PolarHBondContact O-N 3.42Å; F501-V503 PolarHBondContact O-N 3.25Å; F501-R754 PolarHBondContact O-NE 2.88Å; F501-R754 VanDerWaalsContact O-NE 3.14Å; F501-R754 PolarHBondContact O-NH2 3.4Å; F501-I766 HydrophobicContact CB-CD1 4.33Å; F501-I766 HydrophobicContact CD2-CD1 3.77Å; F501-I766 HydrophobicContact CE2-CD1 4.45Å; F501-I766 HydrophobicContact CG-CD1 4.34Å |
| 502 | G | 77.8 | Confident | 79.1 | Confident | 2 Ų | 2 | 26.9 Ų | 26.9 | 2% | 0.021 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 28.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113 | A498 A499 M753 | A498-G502 PolarHBondContact O-N 3.06Å; A499-G502 PolarHBondContact O-N 3.14Å; G502-M753 PolarHBondContact O-N 2.81Å |
| 503 | V | 85 | Confident | 80 | Confident | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 108.9 | 173.6 | -179.7 | 0 | 0 | 0 | 0 | 108.1 | A498 A499 F501 I750 L752 A763 | A498-V503 CarbonylContact C-O 3.02Å; A498-V503 HydrophobicContact CB-CB 4.07Å; A498-V503 HydrophobicContact CB-CG1 4.27Å; A498-V503 VanDerWaalsContact CB-O 3.3Å; A498-V503 WeakPolarHBondContact CB-O 3.26Å; A498-V503 WeakPolarHBondContact O-CA 3.43Å; A498-V503 WeakPolarHBondContact O-CB 3.4Å; A498-V503 PolarHBondContact O-N 3.11Å; A498-V503 VanDerWaalsContact O-O 3.14Å; A499-V503 PolarHBondContact N-O 2.75Å; F501-V503 PolarHBondContact O-N 3.25Å; V503-I750 HydrophobicContact CG1-CG2 3.57Å; V503-L752 HydrophobicContact CB-CD2 4.48Å; V503-L752 HydrophobicContact CG1-CD2 4.29Å; V503-L752 HydrophobicContact CG2-CD2 3.9Å; V503-A763 HydrophobicContact CB-CB 4.46Å; V503-A763 HydrophobicContact CG1-CB 3.52Å; V503-A763 HydrophobicContact CG2-CB 4.09Å |
| 504 | L | 83 | Confident | 80.8 | Confident | 6 Ų | 6 | 28.2 Ų | 28.2 | 3% | 0.031 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 128.6 | 177.2 | -55.9 | 178 | 0 | 0 | 0 | 109.1 | I415 M418 I750 T751 M753 | I415-L504 HydrophobicContact CB-CD1 4.5Å; I415-L504 HydrophobicContact CB-CD2 4.34Å; I415-L504 HydrophobicContact CG1-CD1 3.72Å; I415-L504 HydrophobicContact CG1-CD2 4.12Å; I415-L504 HydrophobicContact CG2-CD2 3.77Å; M418-L504 HydrophobicContact CE-CB 4.48Å; M418-L504 HydrophobicContact CE-CD1 3.45Å; M418-L504 VanDerWaalsContact CE-CD1 3.45Å; M418-L504 HydrophobicContact SD-CB 4.32Å; M418-L504 HydrophobicContact SD-CD1 4.32Å; L504-I750 CarbonylContact O-C 3.59Å; L504-I750 VanDerWaalsContact O-CA 3.25Å; L504-I750 WeakPolarHBondContact O-CA 3.38Å; L504-T751 PolarHBondContact N-O 2.99Å; L504-T751 PolarHBondContact O-N 3.3Å; L504-M753 HydrophobicContact CD1-CG 3.61Å; L504-M753 HydrophobicContact CD1-SD 3.8Å; L504-M753 HydrophobicContact CD2-CG 4.36Å; L504-M753 HydrophobicContact CD2-SD 3.85Å; L504-M753 HydrophobicContact CG-CG 3.75Å; L504-M753 HydrophobicContact CG-SD 3.9Å |
| 505 | V | 82.5 | Confident | 81.2 | Confident | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.006 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 129 | 177.1 | 179.3 | 0 | 0 | 0 | 0 | 106.2 | A422 A498 D507 A510 L511 | A422-V505 HydrophobicContact CB-CB 4.38Å; A422-V505 HydrophobicContact CB-CG1 4.22Å; A422-V505 WeakPolarHBondContact CB-O 3.44Å; A498-V505 HydrophobicContact CB-CG2 4.12Å; V505-D507 WeakPolarHBondContact CG1-O 3.4Å; V505-A510 HydrophobicContact CG1-CB 4.26Å; V505-L511 HydrophobicContact CG1-CD1 4.41Å; V505-L511 HydrophobicContact CG1-CD2 4.37Å; V505-L511 HydrophobicContact CG1-CG 3.9Å; V505-L511 HydrophobicContact CG2-CD2 3.81Å; V505-L511 HydrophobicContact CG2-CG 4.22Å |
| 506 | R | 71.2 | Confident | 81.8 | Confident | 59 Ų | 59 | 31.8 Ų | 31.8 | 22% | 0.223 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -84.9 | -34.6 | 178.2 | -169.8 | 178.2 | -177.3 | -170.3 | 4.4 | 112.7 | Q421 A422 E746 A749 | Q421-R506 WeakPolarHBondContact CG-O 3.45Å; A422-R506 WeakPolarHBondContact CA-O 3.45Å; A422-R506 PolarHBondContact N-O 3.44Å; R506-E746 PolarHBondContact NH1-O 3.39Å; R506-A749 PolarHBondContact N-O 3Å |
| 507 | D | 71.6 | Confident | 82.7 | Confident | 31 Ų | 31 | 31 Ų | 31 | 17% | 0.166 | 15% | 0.147 | C | C | . | . | trans | -136.9 | 132.3 | -177.6 | -167.3 | -24.8 | 0 | 0 | 0 | 110.7 | S425 V505 D509 A510 | S425-D507 WeakPolarHBondContact CB-OD1 3.2Å; S425-D507 PolarHBondContact OG-OD1 2.93Å; V505-D507 WeakPolarHBondContact CG1-O 3.4Å; D507-D509 PolarHBondContact O-N 3.31Å; D507-D509 PolarHBondContact OD1-N 3.17Å; D507-A510 WeakPolarHBondContact O-CA 3.39Å; D507-A510 WeakPolarHBondContact O-CB 3.2Å; D507-A510 PolarHBondContact O-N 2.65Å | ||
| 508 | A | 75.4 | Confident | 83.5 | Confident | 2 Ų | 2 | 28.6 Ų | 28.6 | 2% | 0.017 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -50.1 | -32.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | S425 P427 I491 A510 L511 Q512 | S425-A508 VanDerWaalsContact OG-CB 3.28Å; S425-A508 WeakPolarHBondContact OG-CB 3.31Å; S425-A508 PolarHBondContact OG-N 3.31Å; P427-A508 HydrophobicContact CB-CB 4.38Å; P427-A508 HydrophobicContact CG-CB 4.34Å; I491-A508 HydrophobicContact CD1-CB 3.9Å; I491-A508 HydrophobicContact CG1-CB 4.06Å; I491-A508 HydrophobicContact CG2-CB 3.72Å; A508-A510 PolarHBondContact O-N 3.37Å; A508-L511 WeakPolarHBondContact O-CB 3.43Å; A508-L511 PolarHBondContact O-N 2.94Å; A508-L511 VanDerWaalsContact O-N 3.13Å; A508-Q512 PolarHBondContact O-N 3.35Å |
| 509 | D | 81.5 | Confident | 84.2 | Confident | 21 Ų | 21 | 28.5 Ų | 28.5 | 11% | 0.112 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.4 | -28.2 | 173.9 | -90.4 | -39.2 | 0 | 0 | 0 | 112.4 | P427 E428 D507 L511 Q512 R513 | P427-D509 WeakPolarHBondContact CA-OD1 3.31Å; P427-D509 WeakPolarHBondContact CB-OD1 3.49Å; E428-D509 PolarHBondContact N-OD1 3.2Å; D507-D509 PolarHBondContact O-N 3.31Å; D507-D509 PolarHBondContact OD1-N 3.17Å; D509-L511 VanDerWaalsContact C-N 3.3Å; D509-L511 PolarHBondContact O-N 2.85Å; D509-Q512 PolarHBondContact O-N 3.02Å; D509-Q512 VanDerWaalsContact O-N 3.17Å; D509-R513 PolarHBondContact O-N 3.02Å |
| 510 | A | 85.5 | Confident | 85.2 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.7 | -37.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111.4 | V505 D507 A508 Q512 A514 A749 I750 | V505-A510 HydrophobicContact CG1-CB 4.26Å; D507-A510 WeakPolarHBondContact O-CA 3.39Å; D507-A510 WeakPolarHBondContact O-CB 3.2Å; D507-A510 PolarHBondContact O-N 2.65Å; A508-A510 PolarHBondContact O-N 3.37Å; A510-Q512 VanDerWaalsContact C-N 3.33Å; A510-Q512 PolarHBondContact O-N 3.13Å; A510-A514 WeakPolarHBondContact O-CA 3.42Å; A510-A514 WeakPolarHBondContact O-CB 3.46Å; A510-A514 PolarHBondContact O-N 3.09Å; A510-A749 HydrophobicContact CB-CB 3.67Å; A510-I750 HydrophobicContact CB-CG1 4.26Å |
| 511 | L | 86.7 | Confident | 86.3 | Confident | 7 Ų | 7 | 21.5 Ų | 21.5 | 4% | 0.037 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.9 | -38.5 | 174.1 | -69.6 | 172.5 | 0 | 0 | 0 | 111.6 | V495 V505 A508 D509 S515 S767 T770 | V495-L511 HydrophobicContact CG2-CD1 3.68Å; V505-L511 HydrophobicContact CG1-CD1 4.41Å; V505-L511 HydrophobicContact CG1-CD2 4.37Å; V505-L511 HydrophobicContact CG1-CG 3.9Å; V505-L511 HydrophobicContact CG2-CD2 3.81Å; V505-L511 HydrophobicContact CG2-CG 4.22Å; A508-L511 WeakPolarHBondContact O-CB 3.43Å; A508-L511 PolarHBondContact O-N 2.94Å; A508-L511 VanDerWaalsContact O-N 3.13Å; D509-L511 VanDerWaalsContact C-N 3.3Å; D509-L511 PolarHBondContact O-N 2.85Å; L511-S515 WeakPolarHBondContact O-CB 3.25Å; L511-S515 PolarHBondContact O-N 2.8Å; L511-S767 VanDerWaalsContact CD2-OG 3.23Å; L511-S767 WeakPolarHBondContact CD2-OG 3.01Å; L511-S767 WeakPolarHBondContact O-CB 3.48Å; L511-T770 HydrophobicContact CD1-CG2 4.33Å |
| 512 | Q | 88.8 | Confident | 87.2 | Confident | 33 Ų | 33 | 18.7 Ų | 18.7 | 15% | 0.154 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -66.6 | -53.6 | 177.1 | -177.6 | 175.8 | -44.7 | 0 | 0 | 110.6 | E428 I429 A508 D509 A510 A514 S515 L771 | E428-Q512 PolarHBondContact OE2-NE2 3.15Å; I429-Q512 VanDerWaalsContact CG2-OE1 3.22Å; A508-Q512 PolarHBondContact O-N 3.35Å; D509-Q512 PolarHBondContact O-N 3.02Å; D509-Q512 VanDerWaalsContact O-N 3.17Å; A510-Q512 VanDerWaalsContact C-N 3.33Å; A510-Q512 PolarHBondContact O-N 3.13Å; Q512-A514 VanDerWaalsContact C-N 3.33Å; Q512-A514 PolarHBondContact O-N 2.88Å; Q512-S515 WeakPolarHBondContact O-CB 3.41Å; Q512-S515 PolarHBondContact O-N 3.34Å; Q512-S515 VanDerWaalsContact O-N 3.09Å; Q512-S515 PolarHBondContact O-OG 2.8Å; Q512-L771 HydrophobicContact CG-CD1 4.24Å |
| 513 | R | 90.6 | Very high | 87.9 | Confident | 93 Ų | 93 | 19 Ų | 19 | 35% | 0.351 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -59 | -43.6 | 177.8 | -70.1 | -171.8 | -72.2 | 172.6 | -2.9 | 111.6 | D509 S515 T516 L517 D732 V733 | D509-R513 PolarHBondContact O-N 3.02Å; R513-S515 PolarHBondContact O-N 3.04Å; R513-S515 VanDerWaalsContact O-N 3.13Å; R513-T516 PolarHBondContact O-N 3.12Å; R513-T516 PolarHBondContact O-OG1 2.83Å; R513-T516 VanDerWaalsContact O-OG1 3.04Å; R513-L517 WeakPolarHBondContact O-CG 3.23Å; R513-L517 PolarHBondContact O-N 3.17Å; R513-D732 WeakPolarHBondContact CD-O 3.29Å; R513-D732 PolarHBondContact NE-O 3.41Å; R513-D732 PolarHBondContact NH1-O 3.44Å; R513-V733 HydrophobicContact CB-CG2 3.58Å |
| 514 | A | 92.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.2 | -26.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A510 Q512 T516 L517 V733 I750 L764 S767 | A510-A514 WeakPolarHBondContact O-CA 3.42Å; A510-A514 WeakPolarHBondContact O-CB 3.46Å; A510-A514 PolarHBondContact O-N 3.09Å; Q512-A514 VanDerWaalsContact C-N 3.33Å; Q512-A514 PolarHBondContact O-N 2.88Å; A514-T516 VanDerWaalsContact C-N 3.34Å; A514-L517 HydrophobicContact CB-CD1 4.26Å; A514-V733 HydrophobicContact CB-CG1 4.45Å; A514-V733 HydrophobicContact CB-CG2 4.13Å; A514-I750 HydrophobicContact CB-CD1 4.09Å; A514-L764 HydrophobicContact CB-CD2 4.15Å; A514-S767 WeakPolarHBondContact CB-OG 3.36Å |
| 515 | S | 90.8 | Very high | 88.3 | Confident | 16 Ų | 16 | 22.2 Ų | 22.2 | 11% | 0.112 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -78 | -17.8 | 179.5 | 77.2 | 0 | 0 | 0 | 0 | 114.2 | L511 Q512 R513 L771 | L511-S515 WeakPolarHBondContact O-CB 3.25Å; L511-S515 PolarHBondContact O-N 2.8Å; Q512-S515 WeakPolarHBondContact O-CB 3.41Å; Q512-S515 PolarHBondContact O-N 3.34Å; Q512-S515 VanDerWaalsContact O-N 3.09Å; Q512-S515 PolarHBondContact O-OG 2.8Å; R513-S515 PolarHBondContact O-N 3.04Å; R513-S515 VanDerWaalsContact O-N 3.13Å; S515-L771 WeakPolarHBondContact OG-CD2 3.24Å |
| 516 | T | 90.9 | Very high | 88.3 | Confident | 65 Ų | 65 | 22.5 Ų | 22.5 | 40% | 0.399 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -103.1 | -14 | -178.3 | 62.8 | 0 | 0 | 0 | 0 | 113.3 | R513 A514 Q714 | R513-T516 PolarHBondContact O-N 3.12Å; R513-T516 PolarHBondContact O-OG1 2.83Å; R513-T516 VanDerWaalsContact O-OG1 3.04Å; A514-T516 VanDerWaalsContact C-N 3.34Å; T516-Q714 PolarHBondContact O-OE1 3.24Å; T516-Q714 PolarHBondContact OG1-OE1 3.4Å |
| 517 | L | 94.5 | Very high | 89.2 | Confident | 10 Ų | 10 | 19.7 Ų | 19.7 | 5% | 0.052 | 11% | 0.105 | C | C | . | . | trans | -47 | 143.6 | 175.7 | -65.3 | 173 | 0 | 0 | 0 | 113.5 | R513 A514 Y667 Q714 V715 A716 D732 V733 L764 | R513-L517 WeakPolarHBondContact O-CG 3.23Å; R513-L517 PolarHBondContact O-N 3.17Å; A514-L517 HydrophobicContact CB-CD1 4.26Å; L517-Y667 HydrophobicContact CB-CE1 4.41Å; L517-Y667 VanDerWaalsContact O-CE1 3.3Å; L517-Y667 WeakPolarHBondContact O-CE1 3.23Å; L517-Q714 HydrophobicContact CD2-CB 4.16Å; L517-V715 VanDerWaalsContact CD2-C 3.49Å; L517-A716 HydrophobicContact CD1-CB 3.52Å; L517-A716 HydrophobicContact CD2-CB 4.33Å; L517-D732 HydrophobicContact CD2-CB 4.04Å; L517-V733 HydrophobicContact CD1-CB 4.19Å; L517-V733 HydrophobicContact CD1-CG2 4.14Å; L517-V733 HydrophobicContact CD2-CG2 4.31Å; L517-V733 HydrophobicContact CG-CG2 4.43Å; L517-L764 HydrophobicContact CD1-CD2 3.64Å | ||
| 518 | D | 95.8 | Very high | 90.1 | Very high | 43 Ų | 43 | 18.2 Ų | 18.2 | 23% | 0.23 | 10% | 0.097 | C | C | . | . | trans | -122.7 | -23.8 | 172.8 | 71.7 | 99.5 | 0 | 0 | 0 | 113.1 | Y667 R668 R713 Q714 | D518-Y667 WeakPolarHBondContact O-CA 3.43Å; D518-R668 PolarHBondContact O-N 3.47Å; D518-R713 WeakPolarHBondContact OD1-CD 3.45Å; D518-R713 IonicContact OD1-CZ 3.53Å; D518-R713 IonicContact OD1-NE 3.94Å; D518-R713 IonicContact OD1-NH1 2.75Å; D518-R713 PolarHBondContact OD1-NH1 3.19Å; D518-Q714 PolarHBondContact N-O 3.22Å; D518-Q714 VanDerWaalsContact N-O 3.17Å; D518-Q714 PolarHBondContact OD2-N 2.6Å | ||
| 519 | T | 96.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 133.5 | -176.9 | -61.2 | 0 | 0 | 0 | 0 | 110.8 | V521 R668 V670 Q714 V715 A716 | T519-V521 HydrophobicContact CG2-CG2 4.37Å; T519-R668 WeakPolarHBondContact CA-O 3.35Å; T519-R668 HydrophobicContact CG2-CB 4.41Å; T519-V670 HydrophobicContact CG2-CG2 3.77Å; T519-Q714 PolarHBondContact N-O 3.09Å; T519-Q714 VanDerWaalsContact N-O 3.12Å; T519-V715 WeakPolarHBondContact O-CA 3.41Å; T519-A716 PolarHBondContact O-N 3.38Å |
| 520 | V | 97 | Very high | 91 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 117.1 | 175.8 | -169.6 | 0 | 0 | 0 | 0 | 109 | F522 Y667 R668 L669 V670 A716 V718 V760 L764 | V520-F522 HydrophobicContact CB-CE2 3.84Å; V520-F522 HydrophobicContact CB-CZ 4.19Å; V520-F522 HydrophobicContact CG1-CD2 4.19Å; V520-F522 HydrophobicContact CG1-CE1 4.15Å; V520-F522 HydrophobicContact CG1-CE2 3.44Å; V520-F522 VanDerWaalsContact CG1-CE2 3.44Å; V520-F522 HydrophobicContact CG1-CZ 3.41Å; V520-F522 VanDerWaalsContact CG1-CZ 3.41Å; V520-Y667 HydrophobicContact CG2-CD1 4.07Å; V520-Y667 HydrophobicContact CG2-CG 4.14Å; V520-R668 PolarHBondContact N-O 3.14Å; V520-L669 HydrophobicContact CB-CD2 4.35Å; V520-V670 PolarHBondContact O-N 3.45Å; V520-A716 HydrophobicContact CG1-CB 4.32Å; V520-V718 HydrophobicContact CG1-CG2 3.83Å; V520-V760 HydrophobicContact CG1-CG1 4.44Å; V520-L764 HydrophobicContact CG2-CD1 4.03Å |
| 521 | V | 96.8 | Very high | 90.9 | Very high | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.006 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 129 | 178.2 | -175.8 | 0 | 0 | 0 | 0 | 108.4 | T519 V670 L672 I705 L708 V715 A716 M717 V718 | T519-V521 HydrophobicContact CG2-CG2 4.37Å; V521-V670 CarbonylContact C-O 3.46Å; V521-V670 VanDerWaalsContact CA-O 3.26Å; V521-V670 WeakPolarHBondContact CA-O 3.42Å; V521-V670 HydrophobicContact CG2-CB 4.03Å; V521-V670 HydrophobicContact CG2-CG1 4.45Å; V521-L672 HydrophobicContact CG1-CB 3.58Å; V521-L672 HydrophobicContact CG1-CD2 4.2Å; V521-I705 HydrophobicContact CB-CD1 3.94Å; V521-I705 HydrophobicContact CG1-CD1 3.88Å; V521-I705 HydrophobicContact CG2-CD1 3.83Å; V521-L708 HydrophobicContact CG2-CD1 3.61Å; V521-V715 HydrophobicContact CB-CG1 4.42Å; V521-V715 HydrophobicContact CG2-CG1 3.52Å; V521-A716 PolarHBondContact N-O 3.26Å; V521-M717 HydrophobicContact CB-SD 4.1Å; V521-M717 HydrophobicContact CG1-SD 3.8Å; V521-M717 CarbonylContact O-C 3.59Å; V521-M717 WeakPolarHBondContact O-CA 3.3Å; V521-V718 PolarHBondContact O-N 3.38Å |
| 522 | F | 95.9 | Very high | 90.7 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 0% | 0.004 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 132.5 | 178.4 | -64.3 | -92.2 | 0 | 0 | 0 | 110.3 | V520 T527 L528 L659 L662 L669 V670 L672 V718 L757 V760 | V520-F522 HydrophobicContact CB-CE2 3.84Å; V520-F522 HydrophobicContact CB-CZ 4.19Å; V520-F522 HydrophobicContact CG1-CD2 4.19Å; V520-F522 HydrophobicContact CG1-CE1 4.15Å; V520-F522 HydrophobicContact CG1-CE2 3.44Å; V520-F522 VanDerWaalsContact CG1-CE2 3.44Å; V520-F522 HydrophobicContact CG1-CZ 3.41Å; V520-F522 VanDerWaalsContact CG1-CZ 3.41Å; F522-T527 HydrophobicContact CD1-CG2 4.32Å; F522-L528 HydrophobicContact CB-CD1 3.81Å; F522-L528 HydrophobicContact CB-CD2 4.02Å; F522-L528 HydrophobicContact CB-CG 3.82Å; F522-L528 HydrophobicContact CD1-CD2 3.95Å; F522-L528 HydrophobicContact CG-CD2 3.99Å; F522-L528 HydrophobicContact CG-CG 4.35Å; F522-L659 HydrophobicContact CD2-CD2 3.96Å; F522-L659 HydrophobicContact CE1-CD2 4.08Å; F522-L659 HydrophobicContact CE2-CD2 3.46Å; F522-L659 VanDerWaalsContact CE2-CD2 3.46Å; F522-L659 HydrophobicContact CG-CD2 4.47Å; F522-L659 HydrophobicContact CZ-CD2 3.53Å; F522-L662 HydrophobicContact CE2-CD1 4.43Å; F522-L662 HydrophobicContact CZ-CD1 3.62Å; F522-L669 HydrophobicContact CE2-CD2 3.97Å; F522-V670 PolarHBondContact N-O 3.44Å; F522-L672 PolarHBondContact O-N 3.05Å; F522-V718 HydrophobicContact CD1-CB 3.83Å; F522-V718 HydrophobicContact CD1-CG1 4.24Å; F522-V718 HydrophobicContact CD1-CG2 3.92Å; F522-V718 HydrophobicContact CE1-CB 4.18Å; F522-V718 HydrophobicContact CE1-CG1 4.46Å; F522-V718 HydrophobicContact CE1-CG2 3.81Å; F522-V718 HydrophobicContact CZ-CG2 4.42Å; F522-L757 HydrophobicContact CD1-CD2 4.08Å; F522-L757 HydrophobicContact CE1-CD2 3.93Å; F522-V760 HydrophobicContact CE1-CG2 4.48Å |
| 523 | D | 93.4 | Very high | 90.6 | Very high | 8 Ų | 8 | 29.3 Ų | 29.3 | 4% | 0.043 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 152.4 | 157.3 | -169 | 61.8 | 0 | 0 | 0 | 110.2 | T525 T527 L528 K701 M717 V718 | D523-T525 PolarHBondContact OD2-N 2.92Å; D523-T527 VanDerWaalsContact O-CB 3.27Å; D523-T527 WeakPolarHBondContact O-CB 3.42Å; D523-T527 WeakPolarHBondContact O-CG2 3.45Å; D523-L528 WeakPolarHBondContact O-CG 3.45Å; D523-L528 PolarHBondContact O-N 3.43Å; D523-K701 IonicContact OD1-NZ 2.6Å; D523-K701 PolarHBondContact OD1-NZ 3.45Å; D523-M717 HydrophobicContact CB-CE 3.96Å; D523-V718 PolarHBondContact N-O 3.3Å |
| 524 | K | 90.4 | Very high | 90.6 | Very high | 12 Ų | 12 | 29.3 Ų | 29.3 | 5% | 0.052 | 16% | 0.161 | C | C | . | . | I | π-helix | trans | -82.1 | -61 | 178.8 | -174.1 | -162.3 | 61.3 | 145.5 | 0 | 111.6 | G526 L528 T529 M671 T673 D675 I683 | K524-G526 PolarHBondContact O-N 3.21Å; K524-L528 PolarHBondContact O-N 3.41Å; K524-T529 HydrophobicContact CG-CG2 4.18Å; K524-T529 PolarHBondContact O-N 3.31Å; K524-T529 VanDerWaalsContact O-N 3.11Å; K524-T529 PolarHBondContact O-OG1 3.17Å; K524-T529 VanDerWaalsContact O-OG1 3.06Å; K524-M671 HydrophobicContact CB-CG 4.48Å; K524-M671 HydrophobicContact CB-SD 4.25Å; K524-M671 HydrophobicContact CG-SD 4.18Å; K524-T673 WeakPolarHBondContact CE-OG1 3.37Å; K524-D675 IonicContact NZ-OD1 3.94Å; K524-D675 PolarHBondContact NZ-OD1 3.35Å; K524-D675 IonicContact NZ-OD2 3.68Å; K524-D675 PolarHBondContact NZ-OD2 2.88Å; K524-I683 HydrophobicContact CD-CD1 3.79Å |
| 525 | T | 85.5 | Confident | 90.6 | Very high | 64 Ų | 64 | 29.8 Ų | 29.8 | 39% | 0.393 | 16% | 0.164 | S | C | . | . | I | π-helix | trans | -82.7 | 118.6 | -161 | -58.1 | 0 | 0 | 0 | 0 | 109.6 | D523 T527 T529 | D523-T525 PolarHBondContact OD2-N 2.92Å; T525-T527 PolarHBondContact O-N 3.42Å; T525-T529 WeakPolarHBondContact CA-OG1 3.12Å |
| 526 | G | 82.7 | Confident | 90.5 | Very high | 7 Ų | 7 | 32.8 Ų | 32.8 | 7% | 0.072 | 18% | 0.181 | C | C | . | . | I | π-helix | trans | 81.4 | -16.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | K524 T529 R652 | K524-G526 PolarHBondContact O-N 3.21Å; G526-T529 CarbonylContact C-O 3.49Å; G526-T529 WeakPolarHBondContact CA-O 3.29Å; G526-T529 PolarHBondContact N-OG1 3.24Å; G526-T529 VanDerWaalsContact N-OG1 3.11Å; G526-R652 PolarHBondContact O-NH2 3.1Å |
| 527 | T | 89.7 | Confident | 90.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.173 | C | C | . | . | I | π-helix | trans | -96.3 | -70.3 | 171.8 | -67.7 | 0 | 0 | 0 | 0 | 111.9 | F522 D523 T525 R652 V718 G719 D720 M737 L757 | F522-T527 HydrophobicContact CD1-CG2 4.32Å; D523-T527 VanDerWaalsContact O-CB 3.27Å; D523-T527 WeakPolarHBondContact O-CB 3.42Å; D523-T527 WeakPolarHBondContact O-CG2 3.45Å; T525-T527 PolarHBondContact O-N 3.42Å; T527-R652 VanDerWaalsContact O-CD 3.29Å; T527-R652 WeakPolarHBondContact O-CD 3.44Å; T527-R652 PolarHBondContact O-NE 2.8Å; T527-V718 HydrophobicContact CG2-CB 4.24Å; T527-V718 HydrophobicContact CG2-CG1 3.76Å; T527-G719 WeakPolarHBondContact OG1-CA 3.17Å; T527-D720 PolarHBondContact N-OD1 3.17Å; T527-D720 PolarHBondContact OG1-N 3.49Å; T527-D720 PolarHBondContact OG1-OD1 2.96Å; T527-M737 HydrophobicContact CG2-CG 4.39Å; T527-L757 HydrophobicContact CG2-CD2 4.31Å |
| 528 | L | 91.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.175 | C | C | . | . | I | π-helix | trans | -76 | -28.6 | 176.1 | -70.9 | 174.3 | 0 | 0 | 0 | 113 | F522 D523 K524 L651 R652 S655 L659 M671 I689 L757 | F522-L528 HydrophobicContact CB-CD1 3.81Å; F522-L528 HydrophobicContact CB-CD2 4.02Å; F522-L528 HydrophobicContact CB-CG 3.82Å; F522-L528 HydrophobicContact CD1-CD2 3.95Å; F522-L528 HydrophobicContact CG-CD2 3.99Å; F522-L528 HydrophobicContact CG-CG 4.35Å; D523-L528 WeakPolarHBondContact O-CG 3.45Å; D523-L528 PolarHBondContact O-N 3.43Å; K524-L528 PolarHBondContact O-N 3.41Å; L528-L651 HydrophobicContact CB-CD2 4.24Å; L528-R652 PolarHBondContact O-N 3.08Å; L528-S655 PolarHBondContact O-OG 2.89Å; L528-L659 HydrophobicContact CD2-CD1 3.9Å; L528-L659 HydrophobicContact CD2-CD2 4.28Å; L528-L659 HydrophobicContact CD2-CG 4.43Å; L528-M671 HydrophobicContact CD1-CG 3.88Å; L528-M671 HydrophobicContact CD1-SD 3.88Å; L528-I689 HydrophobicContact CD1-CD1 3.49Å; L528-I689 VanDerWaalsContact CD1-CD1 3.49Å; L528-L757 HydrophobicContact CD2-CD1 4.1Å |
| 529 | T | 89.6 | Confident | 90.2 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | B | Isolated β-bridge | trans | -105.3 | 169.4 | 179.7 | 64 | 0 | 0 | 0 | 0 | 111.6 | K524 T525 G526 G531 D649 P650 L651 R652 | K524-T529 HydrophobicContact CG-CG2 4.18Å; K524-T529 PolarHBondContact O-N 3.31Å; K524-T529 VanDerWaalsContact O-N 3.11Å; K524-T529 PolarHBondContact O-OG1 3.17Å; K524-T529 VanDerWaalsContact O-OG1 3.06Å; T525-T529 WeakPolarHBondContact CA-OG1 3.12Å; G526-T529 CarbonylContact C-O 3.49Å; G526-T529 WeakPolarHBondContact CA-O 3.29Å; G526-T529 PolarHBondContact N-OG1 3.24Å; G526-T529 VanDerWaalsContact N-OG1 3.11Å; T529-G531 PolarHBondContact O-N 2.99Å; T529-D649 WeakPolarHBondContact CB-OD1 3.46Å; T529-D649 WeakPolarHBondContact CB-OD2 3.24Å; T529-D649 HydrophobicContact CG2-CB 4.26Å; T529-D649 VanDerWaalsContact OG1-CG 3.23Å; T529-D649 PolarHBondContact OG1-OD2 3.25Å; T529-P650 CarbonylContact C-O 3.49Å; T529-P650 WeakPolarHBondContact CA-O 3.42Å; T529-P650 VanDerWaalsContact CB-O 3.24Å; T529-P650 WeakPolarHBondContact CB-O 3.33Å; T529-L651 HydrophobicContact CG2-CD2 4.33Å; T529-R652 PolarHBondContact O-NE 3.39Å |
| 530 | E | 85.3 | Confident | 90 | Very high | 84 Ų | 84 | 36.1 Ų | 36.1 | 39% | 0.393 | 20% | 0.199 | S | C | . | . | trans | -69.4 | -17.5 | 175.4 | -64.8 | -171.7 | 170.2 | 0 | 0 | 113.1 | K532 P650 | E530-K532 PolarHBondContact O-N 3.25Å; E530-P650 HydrophobicContact CB-CG 4.42Å; E530-P650 HydrophobicContact CG-CG 4.22Å; E530-P650 PolarHBondContact N-O 3.45Å | ||
| 531 | G | 82.7 | Confident | 89.5 | Confident | 34 Ų | 34 | 38.6 Ų | 38.6 | 35% | 0.351 | 21% | 0.21 | S | C | . | . | S | Bend | trans | 75 | 15.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | T529 D649 | T529-G531 PolarHBondContact O-N 2.99Å; G531-D649 WeakPolarHBondContact CA-OD2 3.48Å; G531-D649 PolarHBondContact N-OD1 2.94Å; G531-D649 PolarHBondContact N-OD2 2.91Å |
| 532 | K | 83.8 | Confident | 88.5 | Confident | 146 Ų | 146 | 41.8 Ų | 41.8 | 64% | 0.635 | 24% | 0.236 | S | C | * | . | trans | -126.7 | 94.3 | -177.3 | -68.7 | -176.9 | -177.8 | 178.1 | 0 | 108.3 | E530 Q534 D649 P650 | E530-K532 PolarHBondContact O-N 3.25Å; K532-Q534 PolarHBondContact O-N 3.25Å; K532-D649 PolarHBondContact N-OD1 3.24Å; K532-D649 VanDerWaalsContact N-OD1 3.1Å; K532-P650 WeakPolarHBondContact O-CD 3.25Å | ||
| 533 | P | 86.6 | Confident | 87.6 | Confident | 32 Ų | 32 | 50.1 Ų | 50.1 | 21% | 0.208 | 28% | 0.281 | C | S | . | . | trans | -59 | 137.7 | 176.6 | -19.4 | 30.8 | 0 | 0 | 0 | 110.6 | P563 L564 A567 V647 | P533-P563 HydrophobicContact CG-CB 4.02Å; P533-L564 HydrophobicContact CB-CD2 4.25Å; P533-A567 HydrophobicContact CB-CB 4.13Å; P533-A567 WeakPolarHBondContact O-CB 3.5Å; P533-V647 HydrophobicContact CB-CG1 3.69Å | ||
| 534 | Q | 90 | Very high | 87.1 | Confident | 92 Ų | 92 | 50.9 Ų | 50.9 | 43% | 0.43 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 145.7 | 179.5 | -64.2 | 178.2 | 16.7 | 0 | 0 | 110.2 | K532 V536 V647 R648 | K532-Q534 PolarHBondContact O-N 3.25Å; Q534-V536 PolarHBondContact O-N 3.33Å; Q534-V647 CarbonylContact O-C 3.48Å; Q534-V647 WeakPolarHBondContact O-CA 3.39Å; Q534-R648 PolarHBondContact N-O 2.65Å; Q534-R648 PolarHBondContact O-N 3.15Å |
| 535 | V | 91.9 | Very high | 87.1 | Confident | 10 Ų | 10 | 55.1 Ų | 55.1 | 6% | 0.061 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 107.3 | 172.4 | -178.1 | 0 | 0 | 0 | 0 | 108.9 | V538 I568 K571 V647 | V535-V538 HydrophobicContact CG1-CG2 3.71Å; V535-I568 HydrophobicContact CG2-CG1 4.02Å; V535-K571 HydrophobicContact CB-CB 3.99Å; V535-K571 HydrophobicContact CB-CD 4.16Å; V535-K571 HydrophobicContact CB-CG 3.82Å; V535-K571 HydrophobicContact CG1-CG 4.22Å; V535-K571 HydrophobicContact CG2-CB 3.89Å; V535-K571 HydrophobicContact CG2-CG 4.21Å; V535-V647 HydrophobicContact CG2-CG2 4.24Å |
| 536 | V | 90.4 | Very high | 87.3 | Confident | 79 Ų | 79 | 56.6 Ų | 56.6 | 48% | 0.479 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | -25 | -177.1 | -67.3 | 0 | 0 | 0 | 0 | 113.2 | Q534 A630 A646 R648 | Q534-V536 PolarHBondContact O-N 3.33Å; V536-A630 HydrophobicContact CG2-CB 4.37Å; V536-A646 HydrophobicContact CG2-CB 4.05Å; V536-A646 VanDerWaalsContact CG2-O 3.31Å; V536-A646 WeakPolarHBondContact CG2-O 3.39Å; V536-A646 PolarHBondContact N-O 3.28Å; V536-R648 HydrophobicContact CG1-CB 3.9Å; V536-R648 HydrophobicContact CG2-CB 3.91Å |
| 537 | A | 90.5 | Very high | 87.7 | Confident | 28 Ų | 28 | 58.5 Ų | 58.5 | 23% | 0.231 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 146.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111 | A646 | A537-A646 HydrophobicContact CB-CB 4.04Å; A537-A646 PolarHBondContact O-N 3.03Å |
| 538 | V | 92.4 | Very high | 87.8 | Confident | 16 Ų | 16 | 62 Ų | 62 | 10% | 0.097 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 126.1 | 166.7 | -175.5 | 0 | 0 | 0 | 0 | 107.3 | V535 T540 E546 L644 L645 | V535-V538 HydrophobicContact CG1-CG2 3.71Å; V538-T540 HydrophobicContact CG1-CG2 4.34Å; V538-E546 HydrophobicContact CB-CG 3.75Å; V538-E546 HydrophobicContact CG1-CG 3.79Å; V538-E546 HydrophobicContact CG2-CG 4.37Å; V538-L644 WeakPolarHBondContact CA-O 3.49Å; V538-L645 HydrophobicContact CG1-CG 4.47Å; V538-L645 HydrophobicContact CG2-CG 4.47Å |
| 539 | K | 92 | Very high | 87.8 | Confident | 90 Ų | 90 | 62 Ų | 62 | 39% | 0.391 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 119.1 | 175.7 | -64.7 | -63.1 | -173 | -176.6 | 0 | 107.9 | F541 E621 A643 L644 | K539-F541 HydrophobicContact CB-CZ 4.16Å; K539-E621 WeakPolarHBondContact CE-OE1 3.44Å; K539-E621 HydrophobicContact CG-CG 4.13Å; K539-A643 CarbonylContact O-C 3.47Å; K539-A643 WeakPolarHBondContact O-CA 3.31Å; K539-L644 HydrophobicContact CB-CB 4.39Å; K539-L644 PolarHBondContact N-O 3.28Å; K539-L644 PolarHBondContact O-N 2.08Å |
| 540 | T | 91.6 | Very high | 88 | Confident | 55 Ų | 55 | 62.4 Ų | 62.4 | 34% | 0.337 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 154 | 177.5 | 60.5 | 0 | 0 | 0 | 0 | 111.6 | V538 V544 E546 A549 V642 A643 | V538-T540 HydrophobicContact CG1-CG2 4.34Å; T540-V544 WeakPolarHBondContact CB-O 3.35Å; T540-V544 WeakPolarHBondContact CG2-O 3.13Å; T540-V544 PolarHBondContact OG1-O 3.26Å; T540-E546 HydrophobicContact CG2-CB 4.38Å; T540-A549 HydrophobicContact CG2-CB 3.97Å; T540-V642 CarbonylContact C-O 3.56Å; T540-V642 WeakPolarHBondContact CA-O 3.15Å; T540-A643 HydrophobicContact CG2-CB 4.3Å |
| 541 | F | 86.9 | Confident | 88.4 | Confident | 52 Ų | 52 | 61.6 Ų | 61.6 | 23% | 0.228 | 34% | 0.338 | C | S | . | . | trans | -134.4 | 160.8 | 179.4 | -48.1 | -72.3 | 0 | 0 | 0 | 108.1 | K539 D543 I618 V642 L644 | K539-F541 HydrophobicContact CB-CZ 4.16Å; F541-D543 PolarHBondContact O-N 2.86Å; F541-I618 HydrophobicContact CD1-CG2 3.72Å; F541-I618 HydrophobicContact CD2-CG2 3.74Å; F541-I618 HydrophobicContact CE1-CB 4.36Å; F541-I618 HydrophobicContact CE1-CG2 3.53Å; F541-I618 HydrophobicContact CE2-CB 4.16Å; F541-I618 HydrophobicContact CE2-CG2 3.56Å; F541-I618 HydrophobicContact CG-CG2 3.83Å; F541-I618 HydrophobicContact CZ-CB 3.95Å; F541-I618 HydrophobicContact CZ-CG2 3.45Å; F541-I618 VanDerWaalsContact CZ-CG2 3.45Å; F541-V642 PolarHBondContact N-O 2.84Å; F541-L644 HydrophobicContact CE2-CB 3.9Å; F541-L644 HydrophobicContact CZ-CB 4.3Å | ||
| 542 | A | 74.8 | Confident | 88.9 | Confident | 68 Ų | 68 | 60.1 Ų | 60.1 | 56% | 0.562 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | 40.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | V544 | A542-V544 PolarHBondContact O-N 3.46Š|
| 543 | D | 77.9 | Confident | 89.4 | Confident | 175 Ų | 175 | 53.2 Ų | 53.2 | 94% | 0.936 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | 22 | 174 | -54.2 | -40.1 | 0 | 0 | 0 | 115.6 | F541 | F541-D543 PolarHBondContact O-N 2.86Š|
| 544 | V | 82.9 | Confident | 89.7 | Confident | 25 Ų | 25 | 51.7 Ų | 51.7 | 15% | 0.152 | 28% | 0.282 | C | S | . | . | trans | -84.2 | 133.3 | 171.2 | -179.1 | 0 | 0 | 0 | 0 | 110.3 | T540 A542 Q548 A549 V642 | T540-V544 WeakPolarHBondContact CB-O 3.35Å; T540-V544 WeakPolarHBondContact CG2-O 3.13Å; T540-V544 PolarHBondContact OG1-O 3.26Å; A542-V544 PolarHBondContact O-N 3.46Å; V544-Q548 HydrophobicContact CG1-CB 4.14Å; V544-Q548 HydrophobicContact CG1-CG 4.26Å; V544-A549 HydrophobicContact CG1-CB 4.13Å; V544-V642 HydrophobicContact CB-CB 4.3Å; V544-V642 HydrophobicContact CG2-CB 3.81Å; V544-V642 HydrophobicContact CG2-CG1 3.86Å | ||
| 545 | D | 89.8 | Confident | 89.9 | Confident | 100 Ų | 100 | 47.3 Ų | 47.3 | 54% | 0.535 | 26% | 0.262 | S | S | . | . | trans | -71.1 | 148.8 | 175.6 | -179.8 | 47.7 | 0 | 0 | 0 | 111.9 | A547 Q548 A549 | D545-A547 VanDerWaalsContact C-N 3.31Å; D545-A547 PolarHBondContact O-N 2.72Å; D545-A547 WeakPolarHBondContact OD2-CB 2.99Å; D545-A547 PolarHBondContact OD2-N 3.06Å; D545-Q548 HydrophobicContact CB-CB 4.31Å; D545-Q548 PolarHBondContact O-N 2.84Å; D545-Q548 VanDerWaalsContact O-N 3.14Å; D545-A549 PolarHBondContact O-N 3.45Å | ||
| 546 | E | 90.8 | Very high | 89.9 | Confident | 96 Ų | 96 | 46.9 Ų | 46.9 | 45% | 0.449 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.1 | -42.6 | -178.7 | -174.4 | 175.1 | 165.6 | 0 | 0 | 111.7 | V538 T540 Q548 A549 L550 | V538-E546 HydrophobicContact CB-CG 3.75Å; V538-E546 HydrophobicContact CG1-CG 3.79Å; V538-E546 HydrophobicContact CG2-CG 4.37Å; T540-E546 HydrophobicContact CG2-CB 4.38Å; E546-Q548 VanDerWaalsContact C-N 3.32Å; E546-Q548 PolarHBondContact O-N 3.23Å; E546-A549 PolarHBondContact O-N 3.14Å; E546-L550 WeakPolarHBondContact O-CB 3.44Å; E546-L550 PolarHBondContact O-N 3.4Å |
| 547 | A | 90.5 | Very high | 90 | Very high | 46 Ų | 46 | 43.7 Ų | 43.7 | 38% | 0.38 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -66.7 | -36 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | D545 R551 | D545-A547 VanDerWaalsContact C-N 3.31Å; D545-A547 PolarHBondContact O-N 2.72Å; D545-A547 WeakPolarHBondContact OD2-CB 2.99Å; D545-A547 PolarHBondContact OD2-N 3.06Å; A547-R551 WeakPolarHBondContact O-CB 3.33Å; A547-R551 PolarHBondContact O-N 2.92Å |
| 548 | Q | 90.8 | Very high | 89.8 | Confident | 75 Ų | 75 | 47.7 Ų | 47.7 | 35% | 0.35 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -68.8 | -44.4 | 176.3 | -173.5 | 176.7 | 6.3 | 0 | 0 | 111.7 | V544 D545 E546 R551 L552 | V544-Q548 HydrophobicContact CG1-CB 4.14Å; V544-Q548 HydrophobicContact CG1-CG 4.26Å; D545-Q548 HydrophobicContact CB-CB 4.31Å; D545-Q548 PolarHBondContact O-N 2.84Å; D545-Q548 VanDerWaalsContact O-N 3.14Å; E546-Q548 VanDerWaalsContact C-N 3.32Å; E546-Q548 PolarHBondContact O-N 3.23Å; Q548-R551 PolarHBondContact O-N 3.41Å; Q548-L552 HydrophobicContact CG-CD1 4.27Å; Q548-L552 WeakPolarHBondContact O-CG 3.27Å; Q548-L552 PolarHBondContact O-N 2.94Å |
| 549 | A | 92.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.5 | -46 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | T540 V544 D545 E546 L552 A553 L635 A643 | T540-A549 HydrophobicContact CG2-CB 3.97Å; V544-A549 HydrophobicContact CG1-CB 4.13Å; D545-A549 PolarHBondContact O-N 3.45Å; E546-A549 PolarHBondContact O-N 3.14Å; A549-L552 PolarHBondContact O-N 3.15Å; A549-A553 WeakPolarHBondContact O-CB 3.03Å; A549-A553 PolarHBondContact O-N 3.21Å; A549-L635 HydrophobicContact CB-CD2 4.16Å; A549-L635 WeakPolarHBondContact O-CD2 3.46Å; A549-A643 HydrophobicContact CB-CB 3.66Å |
| 550 | L | 93.8 | Very high | 88.6 | Confident | 8 Ų | 8 | 46.2 Ų | 46.2 | 4% | 0.042 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.2 | -42.9 | 177.9 | -176.3 | 63.1 | 0 | 0 | 0 | 111.9 | E546 L552 A553 A554 I568 K571 A572 M575 L645 | E546-L550 WeakPolarHBondContact O-CB 3.44Å; E546-L550 PolarHBondContact O-N 3.4Å; L550-L552 PolarHBondContact O-N 3.42Å; L550-A553 PolarHBondContact O-N 2.98Å; L550-A554 WeakPolarHBondContact O-CB 3.11Å; L550-A554 PolarHBondContact O-N 3.45Å; L550-I568 HydrophobicContact CD1-CG2 4.15Å; L550-K571 HydrophobicContact CD1-CB 4.18Å; L550-K571 HydrophobicContact CD1-CG 4.04Å; L550-K571 HydrophobicContact CD2-CB 4.46Å; L550-K571 HydrophobicContact CD2-CG 3.83Å; L550-A572 HydrophobicContact CD2-CB 4.43Å; L550-A572 HydrophobicContact CG-CB 4.14Å; L550-M575 HydrophobicContact CD2-CE 4.06Å; L550-L645 HydrophobicContact CD1-CD2 3.97Å |
| 551 | R | 94.5 | Very high | 87.9 | Confident | 66 Ų | 66 | 49.9 Ų | 49.9 | 25% | 0.249 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.6 | -45.4 | 176.2 | -173.2 | -175.2 | 78.2 | -146.5 | 9.4 | 112.2 | A547 Q548 A555 Q576 L577 E596 | A547-R551 WeakPolarHBondContact O-CB 3.33Å; A547-R551 PolarHBondContact O-N 2.92Å; Q548-R551 PolarHBondContact O-N 3.41Å; R551-A555 WeakPolarHBondContact O-CB 3.48Å; R551-A555 PolarHBondContact O-N 3.35Å; R551-Q576 WeakPolarHBondContact CD-O 3.24Å; R551-L577 HydrophobicContact CG-CD2 4.1Å; R551-L577 WeakPolarHBondContact O-CD2 3.46Å; R551-E596 IonicContact CZ-OE2 2.64Å; R551-E596 IonicContact NH2-OE1 3.81Å; R551-E596 IonicContact NH2-OE2 3.56Å; R551-E596 PolarHBondContact NH2-OE2 3.33Å |
| 552 | L | 92.9 | Very high | 87.4 | Confident | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.021 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -70.1 | -40.2 | 179.3 | -67.7 | 174.2 | 0 | 0 | 0 | 112.2 | Q548 A549 L550 A555 L556 P578 L600 L635 V637 | Q548-L552 HydrophobicContact CG-CD1 4.27Å; Q548-L552 WeakPolarHBondContact O-CG 3.27Å; Q548-L552 PolarHBondContact O-N 2.94Å; A549-L552 PolarHBondContact O-N 3.15Å; L550-L552 PolarHBondContact O-N 3.42Å; L552-A555 PolarHBondContact O-N 3.44Å; L552-L556 PolarHBondContact O-N 2.89Å; L552-P578 HydrophobicContact CD2-CG 4.29Å; L552-L600 HydrophobicContact CB-CD1 4.36Å; L552-L600 HydrophobicContact CD1-CD2 4.32Å; L552-L600 HydrophobicContact CD2-CD1 4.16Å; L552-L635 HydrophobicContact CB-CD2 4.28Å; L552-V637 HydrophobicContact CD1-CG2 4.14Å |
| 553 | A | 94.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.7 | -45.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | A549 L550 A555 L556 E557 I568 L602 L635 L645 | A549-A553 WeakPolarHBondContact O-CB 3.03Å; A549-A553 PolarHBondContact O-N 3.21Å; L550-A553 PolarHBondContact O-N 2.98Å; A553-A555 VanDerWaalsContact C-N 3.34Å; A553-A555 PolarHBondContact O-N 2.9Å; A553-L556 PolarHBondContact O-N 2.69Å; A553-E557 WeakPolarHBondContact O-CG 3.5Å; A553-E557 PolarHBondContact O-N 3.14Å; A553-I568 HydrophobicContact CB-CG2 3.9Å; A553-L602 HydrophobicContact CB-CD1 3.9Å; A553-L602 HydrophobicContact CB-CD2 4.18Å; A553-L635 HydrophobicContact CB-CD2 4.48Å; A553-L645 HydrophobicContact CB-CD1 4.17Å; A553-L645 HydrophobicContact CB-CD2 4.07Å |
| 554 | A | 93.6 | Very high | 88 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.5 | -38.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L550 L556 E557 Q558 I568 L569 A572 L577 | L550-A554 WeakPolarHBondContact O-CB 3.11Å; L550-A554 PolarHBondContact O-N 3.45Å; A554-L556 PolarHBondContact O-N 2.85Å; A554-E557 PolarHBondContact O-N 2.84Å; A554-Q558 WeakPolarHBondContact O-CG 3.48Å; A554-Q558 PolarHBondContact O-N 2.91Å; A554-Q558 VanDerWaalsContact O-N 3.11Å; A554-I568 HydrophobicContact CB-CG2 4.13Å; A554-L569 HydrophobicContact CB-CD2 4.2Å; A554-L569 VanDerWaalsContact O-CD2 3.31Å; A554-L569 WeakPolarHBondContact O-CD2 3.06Å; A554-A572 HydrophobicContact CB-CB 3.52Å; A554-L577 HydrophobicContact CB-CD1 4.12Å; A554-L577 HydrophobicContact CB-CD2 3.62Å |
| 555 | A | 93.2 | Very high | 88.3 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.008 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.8 | -45.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R551 L552 A553 E557 Q558 L577 P578 V580 | R551-A555 WeakPolarHBondContact O-CB 3.48Å; R551-A555 PolarHBondContact O-N 3.35Å; L552-A555 PolarHBondContact O-N 3.44Å; A553-A555 VanDerWaalsContact C-N 3.34Å; A553-A555 PolarHBondContact O-N 2.9Å; A555-E557 VanDerWaalsContact C-N 3.34Å; A555-E557 PolarHBondContact O-N 3.2Å; A555-Q558 PolarHBondContact O-N 3.45Å; A555-L577 HydrophobicContact CB-CB 4.39Å; A555-P578 HydrophobicContact CB-CG 3.77Å; A555-V580 VanDerWaalsContact C-CG2 3.48Å; A555-V580 HydrophobicContact CB-CG2 3.88Å; A555-V580 VanDerWaalsContact O-CG2 3.22Å; A555-V580 WeakPolarHBondContact O-CG2 3.36Å |
| 556 | L | 92.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.1 | -43 | 173.9 | -82.5 | 178.2 | 0 | 0 | 0 | 111.9 | L552 A553 A554 Q558 G559 V580 F583 V591 L600 L602 L635 | L552-L556 PolarHBondContact O-N 2.89Å; A553-L556 PolarHBondContact O-N 2.69Å; A554-L556 PolarHBondContact O-N 2.85Å; L556-Q558 VanDerWaalsContact C-N 3.26Å; L556-Q558 PolarHBondContact O-N 3.21Å; L556-G559 PolarHBondContact O-N 3.38Å; L556-V580 HydrophobicContact CD2-CG1 3.99Å; L556-F583 WeakPolarHBondContact O-CE2 3.11Å; L556-V591 HydrophobicContact CB-CG2 4.07Å; L556-V591 HydrophobicContact CD1-CG2 4.43Å; L556-L600 HydrophobicContact CD1-CB 3.54Å; L556-L600 HydrophobicContact CD1-CD1 4.29Å; L556-L600 HydrophobicContact CD2-CB 4.15Å; L556-L600 HydrophobicContact CD2-CD1 4.45Å; L556-L600 HydrophobicContact CG-CB 4.02Å; L556-L600 HydrophobicContact CG-CD1 4.03Å; L556-L602 HydrophobicContact CD1-CB 3.67Å; L556-L635 HydrophobicContact CD1-CD1 4.45Å |
| 557 | E | 92.8 | Very high | 88.1 | Confident | 13 Ų | 13 | 43.8 Ų | 43.8 | 6% | 0.061 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -74.2 | -10.9 | -175.1 | -71.8 | -70.8 | -162.1 | 0 | 0 | 114.3 | A553 A554 A555 G559 S560 A565 I568 L569 L602 | A553-E557 WeakPolarHBondContact O-CG 3.5Å; A553-E557 PolarHBondContact O-N 3.14Å; A554-E557 PolarHBondContact O-N 2.84Å; A555-E557 VanDerWaalsContact C-N 3.34Å; A555-E557 PolarHBondContact O-N 3.2Å; E557-G559 PolarHBondContact O-N 2.94Å; E557-G559 VanDerWaalsContact O-N 3.13Å; E557-S560 PolarHBondContact O-N 3.01Å; E557-S560 WeakPolarHBondContact OE2-CB 3.47Å; E557-S560 PolarHBondContact OE2-OG 3.46Å; E557-A565 HydrophobicContact CB-CB 3.83Å; E557-A565 VanDerWaalsContact CD-CB 3.48Å; E557-A565 HydrophobicContact CG-CB 4.06Å; E557-A565 WeakPolarHBondContact OE2-CB 3.49Å; E557-I568 HydrophobicContact CG-CB 4.49Å; E557-I568 HydrophobicContact CG-CD1 4.14Å; E557-L569 HydrophobicContact CB-CG 4.4Å; E557-L602 HydrophobicContact CG-CD2 3.42Å; E557-L602 VanDerWaalsContact CG-CD2 3.42Å; E557-L602 WeakPolarHBondContact OE1-CD2 3.26Å |
| 558 | Q | 85.8 | Confident | 88.2 | Confident | 111 Ų | 111 | 41.6 Ų | 41.6 | 52% | 0.519 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -29.8 | 171.3 | -71.4 | -172.2 | -19.1 | 0 | 0 | 113 | A554 A555 L556 S560 L569 L577 | A554-Q558 WeakPolarHBondContact O-CG 3.48Å; A554-Q558 PolarHBondContact O-N 2.91Å; A554-Q558 VanDerWaalsContact O-N 3.11Å; A555-Q558 PolarHBondContact O-N 3.45Å; L556-Q558 VanDerWaalsContact C-N 3.26Å; L556-Q558 PolarHBondContact O-N 3.21Å; Q558-S560 VanDerWaalsContact C-N 3.33Å; Q558-L569 HydrophobicContact CG-CD2 3.96Å; Q558-L577 HydrophobicContact CG-CD1 3.95Å; Q558-L577 VanDerWaalsContact NE2-CB 3.3Å |
| 559 | G | 77.3 | Confident | 88.2 | Confident | 48 Ų | 48 | 40.4 Ų | 40.4 | 50% | 0.495 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | 0.5 | 179 | 0 | 0 | 0 | 0 | 0 | 114.9 | L556 E557 F583 | L556-G559 PolarHBondContact O-N 3.38Å; E557-G559 PolarHBondContact O-N 2.94Å; E557-G559 VanDerWaalsContact O-N 3.13Å; G559-F583 WeakPolarHBondContact O-CE1 3.43Å |
| 560 | S | 81.2 | Confident | 88.1 | Confident | 27 Ų | 27 | 45.6 Ų | 45.6 | 19% | 0.189 | 25% | 0.246 | C | C | . | . | trans | -119.3 | 135.4 | -168 | -179.5 | 0 | 0 | 0 | 0 | 111.9 | E557 Q558 H562 | E557-S560 PolarHBondContact O-N 3.01Å; E557-S560 WeakPolarHBondContact OE2-CB 3.47Å; E557-S560 PolarHBondContact OE2-OG 3.46Å; Q558-S560 VanDerWaalsContact C-N 3.33Å; S560-H562 VanDerWaalsContact C-N 3.33Å; S560-H562 WeakPolarHBondContact OG-CB 3.36Å; S560-H562 PolarHBondContact OG-N 3.31Å | ||
| 561 | S | 76.7 | Confident | 88 | Confident | 132 Ų | 132 | 50.4 Ų | 50.4 | 92% | 0.923 | 27% | 0.267 | S | S | * | . | trans | -93.3 | 12.3 | 173.8 | 67 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 562 | H | 78.2 | Confident | 87.8 | Confident | 102 Ų | 102 | 47.5 Ų | 47.5 | 47% | 0.472 | 26% | 0.257 | S | S | . | . | trans | -74.6 | 143.9 | -174.7 | -165.3 | -93.7 | 0 | 0 | 0 | 111.5 | S560 L564 A565 R566 | S560-H562 VanDerWaalsContact C-N 3.33Å; S560-H562 WeakPolarHBondContact OG-CB 3.36Å; S560-H562 PolarHBondContact OG-N 3.31Å; H562-L564 WeakPolarHBondContact ND1-CB 3.16Å; H562-L564 PolarHBondContact ND1-N 2.98Å; H562-L564 PolarHBondContact O-N 3.44Å; H562-L564 VanDerWaalsContact O-N 3.17Å; H562-A565 HydrophobicContact CB-CB 4.21Å; H562-A565 WeakPolarHBondContact O-CA 3.43Å; H562-A565 WeakPolarHBondContact O-CB 3.46Å; H562-A565 PolarHBondContact O-N 3.38Å; H562-R566 PolarHBondContact O-N 3.3Å | ||
| 563 | P | 79 | Confident | 87.7 | Confident | 74 Ų | 74 | 49.6 Ų | 49.6 | 48% | 0.481 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -55.8 | -35 | 178.5 | -28.8 | 35.8 | 0 | 0 | 0 | 114.6 | P533 A565 R566 A567 | P533-P563 HydrophobicContact CG-CB 4.02Å; P563-A565 VanDerWaalsContact C-N 3.33Å; P563-R566 PolarHBondContact O-N 2.94Å; P563-A567 PolarHBondContact O-N 3.05Å; P563-A567 VanDerWaalsContact O-N 3.11Å |
| 564 | L | 86.4 | Confident | 87.3 | Confident | 35 Ų | 35 | 57.9 Ų | 57.9 | 18% | 0.183 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -67.2 | -32.9 | 174 | -57.1 | 176.3 | 0 | 0 | 0 | 112.6 | P533 H562 A567 I568 T631 V633 V647 | P533-L564 HydrophobicContact CB-CD2 4.25Å; H562-L564 WeakPolarHBondContact ND1-CB 3.16Å; H562-L564 PolarHBondContact ND1-N 2.98Å; H562-L564 PolarHBondContact O-N 3.44Å; H562-L564 VanDerWaalsContact O-N 3.17Å; L564-A567 WeakPolarHBondContact O-CB 3.22Å; L564-A567 PolarHBondContact O-N 3.45Å; L564-I568 WeakPolarHBondContact O-CG1 3.5Å; L564-I568 PolarHBondContact O-N 3.21Å; L564-I568 VanDerWaalsContact O-N 3.13Å; L564-T631 HydrophobicContact CD1-CG2 4.33Å; L564-V633 HydrophobicContact CD1-CG2 4.31Å; L564-V647 HydrophobicContact CD2-CB 3.82Å; L564-V647 HydrophobicContact CD2-CG1 3.48Å; L564-V647 VanDerWaalsContact CD2-CG1 3.48Å; L564-V647 HydrophobicContact CD2-CG2 4.39Å |
| 565 | A | 87.6 | Confident | 87.2 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.7 | -48.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | E557 H562 P563 A567 I568 L569 | E557-A565 HydrophobicContact CB-CB 3.83Å; E557-A565 VanDerWaalsContact CD-CB 3.48Å; E557-A565 HydrophobicContact CG-CB 4.06Å; E557-A565 WeakPolarHBondContact OE2-CB 3.49Å; H562-A565 HydrophobicContact CB-CB 4.21Å; H562-A565 WeakPolarHBondContact O-CA 3.43Å; H562-A565 WeakPolarHBondContact O-CB 3.46Å; H562-A565 PolarHBondContact O-N 3.38Å; P563-A565 VanDerWaalsContact C-N 3.33Å; A565-A567 VanDerWaalsContact C-N 3.34Å; A565-A567 PolarHBondContact O-N 3.33Å; A565-I568 PolarHBondContact O-N 2.9Å; A565-L569 WeakPolarHBondContact O-CG 3.36Å; A565-L569 PolarHBondContact O-N 2.79Å |
| 566 | R | 87.2 | Confident | 87 | Confident | 174 Ų | 174 | 70.1 Ų | 70.1 | 66% | 0.657 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -59.7 | -43.4 | 176 | -170.3 | 172.6 | -175.6 | 165.9 | 4 | 111.8 | H562 P563 I568 L569 D570 | H562-R566 PolarHBondContact O-N 3.3Å; P563-R566 PolarHBondContact O-N 2.94Å; R566-I568 VanDerWaalsContact C-N 3.28Å; R566-I568 PolarHBondContact O-N 3.45Å; R566-L569 PolarHBondContact O-N 2.96Å; R566-D570 IonicContact NE-OD2 3.17Å; R566-D570 VanDerWaalsContact O-CB 3.3Å; R566-D570 WeakPolarHBondContact O-CB 3.38Å; R566-D570 PolarHBondContact O-N 2.86Å |
| 567 | A | 89.9 | Confident | 86.9 | Confident | 3 Ų | 3 | 72.2 Ų | 72.2 | 3% | 0.025 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -57.8 | -40 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | P533 P563 L564 A565 K571 V647 | P533-A567 HydrophobicContact CB-CB 4.13Å; P533-A567 WeakPolarHBondContact O-CB 3.5Å; P563-A567 PolarHBondContact O-N 3.05Å; P563-A567 VanDerWaalsContact O-N 3.11Å; L564-A567 WeakPolarHBondContact O-CB 3.22Å; L564-A567 PolarHBondContact O-N 3.45Å; A565-A567 VanDerWaalsContact C-N 3.34Å; A565-A567 PolarHBondContact O-N 3.33Å; A567-K571 WeakPolarHBondContact O-CB 3.5Å; A567-K571 PolarHBondContact O-N 3.01Å; A567-K571 VanDerWaalsContact O-N 3.11Å; A567-V647 HydrophobicContact CB-CG1 3.81Å |
| 568 | I | 92.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -72.6 | -42.1 | 178.8 | -65.6 | 170.4 | 0 | 0 | 0 | 110.7 | V535 L550 A553 A554 E557 L564 A565 R566 K571 A572 L602 V633 L645 | V535-I568 HydrophobicContact CG2-CG1 4.02Å; L550-I568 HydrophobicContact CD1-CG2 4.15Å; A553-I568 HydrophobicContact CB-CG2 3.9Å; A554-I568 HydrophobicContact CB-CG2 4.13Å; E557-I568 HydrophobicContact CG-CB 4.49Å; E557-I568 HydrophobicContact CG-CD1 4.14Å; L564-I568 WeakPolarHBondContact O-CG1 3.5Å; L564-I568 PolarHBondContact O-N 3.21Å; L564-I568 VanDerWaalsContact O-N 3.13Å; A565-I568 PolarHBondContact O-N 2.9Å; R566-I568 VanDerWaalsContact C-N 3.28Å; R566-I568 PolarHBondContact O-N 3.45Å; I568-K571 PolarHBondContact O-N 3.32Å; I568-A572 PolarHBondContact O-N 3.41Å; I568-L602 HydrophobicContact CD1-CD2 4.15Å; I568-V633 HydrophobicContact CD1-CG1 4.44Å; I568-L645 HydrophobicContact CD1-CD2 4.27Å; I568-L645 HydrophobicContact CG1-CD2 4.09Å; I568-L645 HydrophobicContact CG2-CD2 4.18Å |
| 569 | L | 91.3 | Very high | 87 | Confident | 50 Ų | 50 | 74.6 Ų | 74.6 | 26% | 0.262 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.7 | -47.6 | 175.1 | -70.8 | 167.3 | 0 | 0 | 0 | 111.8 | A554 E557 Q558 A565 R566 K571 A572 G573 L577 | A554-L569 HydrophobicContact CB-CD2 4.2Å; A554-L569 VanDerWaalsContact O-CD2 3.31Å; A554-L569 WeakPolarHBondContact O-CD2 3.06Å; E557-L569 HydrophobicContact CB-CG 4.4Å; Q558-L569 HydrophobicContact CG-CD2 3.96Å; A565-L569 WeakPolarHBondContact O-CG 3.36Å; A565-L569 PolarHBondContact O-N 2.79Å; R566-L569 PolarHBondContact O-N 2.96Å; L569-K571 VanDerWaalsContact C-N 3.26Å; L569-K571 PolarHBondContact O-N 3.29Å; L569-A572 WeakPolarHBondContact O-CB 3.19Å; L569-A572 PolarHBondContact O-N 3.14Å; L569-G573 PolarHBondContact O-N 3.29Å; L569-L577 HydrophobicContact CD2-CD1 4.05Å |
| 570 | D | 89.8 | Confident | 87.6 | Confident | 110 Ų | 110 | 73.7 Ų | 73.7 | 59% | 0.588 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -60.9 | -38.1 | 178.1 | -70 | -9.7 | 0 | 0 | 0 | 110.7 | R566 G573 | R566-D570 IonicContact NE-OD2 3.17Å; R566-D570 VanDerWaalsContact O-CB 3.3Å; R566-D570 WeakPolarHBondContact O-CB 3.38Å; R566-D570 PolarHBondContact O-N 2.86Å; D570-G573 PolarHBondContact O-N 3.37Å |
| 571 | K | 92.1 | Very high | 88 | Confident | 108 Ų | 108 | 77 Ų | 77 | 47% | 0.47 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -68.4 | -34.9 | 174.9 | -172.4 | 68.3 | 176.4 | -170.4 | 0 | 112.5 | V535 L550 A567 I568 L569 G573 | V535-K571 HydrophobicContact CB-CB 3.99Å; V535-K571 HydrophobicContact CB-CD 4.16Å; V535-K571 HydrophobicContact CB-CG 3.82Å; V535-K571 HydrophobicContact CG1-CG 4.22Å; V535-K571 HydrophobicContact CG2-CB 3.89Å; V535-K571 HydrophobicContact CG2-CG 4.21Å; L550-K571 HydrophobicContact CD1-CB 4.18Å; L550-K571 HydrophobicContact CD1-CG 4.04Å; L550-K571 HydrophobicContact CD2-CB 4.46Å; L550-K571 HydrophobicContact CD2-CG 3.83Å; A567-K571 WeakPolarHBondContact O-CB 3.5Å; A567-K571 PolarHBondContact O-N 3.01Å; A567-K571 VanDerWaalsContact O-N 3.11Å; I568-K571 PolarHBondContact O-N 3.32Å; L569-K571 VanDerWaalsContact C-N 3.26Å; L569-K571 PolarHBondContact O-N 3.29Å; K571-G573 VanDerWaalsContact C-N 3.33Å |
| 572 | A | 90.7 | Very high | 88.5 | Confident | 5 Ų | 5 | 73.6 Ų | 73.6 | 4% | 0.041 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -71.1 | -28.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L550 A554 I568 L569 D574 M575 | L550-A572 HydrophobicContact CD2-CB 4.43Å; L550-A572 HydrophobicContact CG-CB 4.14Å; A554-A572 HydrophobicContact CB-CB 3.52Å; I568-A572 PolarHBondContact O-N 3.41Å; L569-A572 WeakPolarHBondContact O-CB 3.19Å; L569-A572 PolarHBondContact O-N 3.14Å; A572-D574 PolarHBondContact O-N 3.43Å; A572-M575 HydrophobicContact CB-SD 4.46Å; A572-M575 WeakPolarHBondContact O-CG 3.24Å; A572-M575 PolarHBondContact O-N 2.6Å |
| 573 | G | 89.2 | Confident | 89.1 | Confident | 48 Ų | 48 | 71.9 Ų | 71.9 | 50% | 0.495 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.5 | -131.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L569 D570 K571 M575 | L569-G573 PolarHBondContact O-N 3.29Å; D570-G573 PolarHBondContact O-N 3.37Å; K571-G573 VanDerWaalsContact C-N 3.33Å; G573-M575 PolarHBondContact O-N 3.07Å |
| 574 | D | 87.3 | Confident | 89.5 | Confident | 175 Ų | 175 | 76.8 Ų | 76.8 | 94% | 0.936 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | 19.1 | -176.2 | -60.8 | -37.6 | 0 | 0 | 0 | 114.3 | A572 | A572-D574 PolarHBondContact O-N 3.43Š|
| 575 | M | 90.4 | Very high | 89.5 | Confident | 75 Ų | 75 | 79.5 Ų | 79.5 | 37% | 0.369 | 41% | 0.41 | S | S | . | . | trans | -60.4 | 140.8 | 176.7 | -75.3 | -178.3 | -161.5 | 0 | 0 | 111.5 | L550 A572 G573 L577 | L550-M575 HydrophobicContact CD2-CE 4.06Å; A572-M575 HydrophobicContact CB-SD 4.46Å; A572-M575 WeakPolarHBondContact O-CG 3.24Å; A572-M575 PolarHBondContact O-N 2.6Å; G573-M575 PolarHBondContact O-N 3.07Å; M575-L577 HydrophobicContact CB-CD2 4.42Å; M575-L577 PolarHBondContact O-N 3.16Å; M575-L577 VanDerWaalsContact O-N 3.13Å | ||
| 576 | Q | 88.6 | Confident | 89.5 | Confident | 183 Ų | 183 | 82 Ų | 82 | 86% | 0.855 | 42% | 0.423 | S | S | * | . | trans | -71 | 108.9 | 171.4 | -73.3 | -178.3 | 0.5 | 0 | 0 | 109.7 | R551 | R551-Q576 WeakPolarHBondContact CD-O 3.24Š| ||
| 577 | L | 91.1 | Very high | 89.1 | Confident | 44 Ų | 44 | 85.3 Ų | 85.3 | 23% | 0.23 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -89.6 | 129.1 | -177.5 | -60.1 | 178.3 | 0 | 0 | 0 | 110.5 | R551 A554 A555 Q558 L569 M575 | R551-L577 HydrophobicContact CG-CD2 4.1Å; R551-L577 WeakPolarHBondContact O-CD2 3.46Å; A554-L577 HydrophobicContact CB-CD1 4.12Å; A554-L577 HydrophobicContact CB-CD2 3.62Å; A555-L577 HydrophobicContact CB-CB 4.39Å; Q558-L577 HydrophobicContact CG-CD1 3.95Å; Q558-L577 VanDerWaalsContact NE2-CB 3.3Å; L569-L577 HydrophobicContact CD2-CD1 4.05Å; M575-L577 HydrophobicContact CB-CD2 4.42Å; M575-L577 PolarHBondContact O-N 3.16Å; M575-L577 VanDerWaalsContact O-N 3.13Å |
| 578 | P | 90.4 | Very high | 88.5 | Confident | 16 Ų | 16 | 88.6 Ų | 88.6 | 10% | 0.104 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 151 | 177.3 | 26.6 | -35.5 | 0 | 0 | 0 | 111.9 | L552 A555 V580 A595 E596 | L552-P578 HydrophobicContact CD2-CG 4.29Å; A555-P578 HydrophobicContact CB-CG 3.77Å; P578-V580 PolarHBondContact O-N 2.92Å; P578-A595 HydrophobicContact CB-CB 4.26Å; P578-A595 HydrophobicContact CG-CB 4.12Å; P578-E596 HydrophobicContact CB-CG 3.63Å; P578-E596 HydrophobicContact CG-CG 4.2Å |
| 579 | Q | 90.1 | Very high | 88.3 | Confident | 157 Ų | 157 | 90.4 Ų | 90.4 | 73% | 0.734 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 127.1 | 174.2 | -173.6 | 176.3 | 10 | 0 | 0 | 110.3 | ||
| 580 | V | 89.5 | Confident | 88.3 | Confident | 30 Ų | 30 | 89 Ų | 89 | 18% | 0.182 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 124.6 | 175.9 | -178.3 | 0 | 0 | 0 | 0 | 110.3 | A555 L556 P578 F583 E594 A595 | A555-V580 VanDerWaalsContact C-CG2 3.48Å; A555-V580 HydrophobicContact CB-CG2 3.88Å; A555-V580 VanDerWaalsContact O-CG2 3.22Å; A555-V580 WeakPolarHBondContact O-CG2 3.36Å; L556-V580 HydrophobicContact CD2-CG1 3.99Å; P578-V580 PolarHBondContact O-N 2.92Å; V580-F583 HydrophobicContact CG1-CB 4.19Å; V580-E594 CarbonylContact C-O 3.6Å; V580-E594 WeakPolarHBondContact CA-O 3.44Å; V580-A595 HydrophobicContact CG2-CB 4.24Å |
| 581 | N | 89.9 | Confident | 88.4 | Confident | 95 Ų | 95 | 84 Ų | 84 | 51% | 0.508 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 146.7 | 170.2 | -66.7 | -39.7 | 0 | 0 | 0 | 110.2 | F583 E594 | N581-F583 VanDerWaalsContact C-N 3.31Å; N581-F583 PolarHBondContact O-N 2.98Å; N581-E594 PolarHBondContact N-O 2.96Å; N581-E594 PolarHBondContact O-N 3.47Å |
| 582 | G | 87.2 | Confident | 88.5 | Confident | 61 Ų | 61 | 79.9 Ų | 79.9 | 63% | 0.629 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 65.7 | 27.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | R584 | G582-R584 PolarHBondContact O-N 2.56Å |
| 583 | F | 90.1 | Very high | 88.5 | Confident | 66 Ų | 66 | 80 Ų | 80 | 29% | 0.289 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.7 | 132.7 | 178.7 | 176.4 | -99.4 | 0 | 0 | 0 | 112.4 | L556 G559 V580 N581 V591 S592 | L556-F583 WeakPolarHBondContact O-CE2 3.11Å; G559-F583 WeakPolarHBondContact O-CE1 3.43Å; V580-F583 HydrophobicContact CG1-CB 4.19Å; N581-F583 VanDerWaalsContact C-N 3.31Å; N581-F583 PolarHBondContact O-N 2.98Å; F583-V591 HydrophobicContact CE2-CB 3.74Å; F583-V591 HydrophobicContact CE2-CG1 3.82Å; F583-V591 HydrophobicContact CE2-CG2 4.36Å; F583-V591 HydrophobicContact CZ-CB 4.23Å; F583-V591 HydrophobicContact CZ-CG1 3.8Å; F583-S592 CarbonylContact C-O 3.56Å; F583-S592 VanDerWaalsContact CA-O 3.31Å; F583-S592 WeakPolarHBondContact CA-O 3.36Å |
| 584 | R | 88.8 | Confident | 88.7 | Confident | 178 Ų | 178 | 83.2 Ų | 83.2 | 67% | 0.672 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 137.6 | 174.9 | -64.6 | -175.6 | -179.6 | -147.1 | -0.3 | 111.2 | G582 V591 S592 | G582-R584 PolarHBondContact O-N 2.56Å; R584-V591 CarbonylContact O-C 3.5Å; R584-V591 WeakPolarHBondContact O-CA 3.47Å; R584-S592 PolarHBondContact N-O 2.87Å; R584-S592 PolarHBondContact O-N 2.71Å |
| 585 | T | 86.3 | Confident | 88.9 | Confident | 92 Ų | 92 | 75 Ų | 75 | 56% | 0.564 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 123.5 | 168.9 | -45.4 | 0 | 0 | 0 | 0 | 110 | V591 | T585-V591 HydrophobicContact CG2-CG1 4.46Å |
| 586 | L | 86.6 | Confident | 88.8 | Confident | 51 Ų | 51 | 76.5 Ų | 76.5 | 27% | 0.267 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 101.4 | 178.2 | -59.8 | 171.5 | 0 | 0 | 0 | 108.1 | G588 L589 G590 L607 | L586-G588 PolarHBondContact O-N 3.11Å; L586-L589 HydrophobicContact CB-CB 3.97Å; L586-L589 HydrophobicContact CB-CD1 4.43Å; L586-L589 PolarHBondContact O-N 3.28Å; L586-G590 WeakPolarHBondContact CA-O 3.41Å; L586-G590 PolarHBondContact N-O 3.03Å; L586-G590 PolarHBondContact O-N 3.31Å; L586-L607 HydrophobicContact CD1-CD1 3.28Å |
| 587 | R | 78.8 | Confident | 88.8 | Confident | 244 Ų | 244 | 71.6 Ų | 71.6 | 92% | 0.921 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | 124.4 | -171.9 | -72.8 | -174.2 | 177.4 | -170.7 | -1.1 | 111.7 | L589 | R587-L589 PolarHBondContact O-N 2.59Š|
| 588 | G | 78.7 | Confident | 88.8 | Confident | 72 Ų | 72 | 73 Ų | 73 | 74% | 0.742 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.1 | 1.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | L586 N604 | L586-G588 PolarHBondContact O-N 3.11Å; G588-N604 PolarHBondContact O-ND2 2.94Å |
| 589 | L | 87 | Confident | 88.9 | Confident | 39 Ų | 39 | 74.5 Ų | 74.5 | 20% | 0.204 | 42% | 0.419 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | -50.2 | -175.3 | -65.2 | 174.9 | 0 | 0 | 0 | 112.1 | L586 R587 G603 N604 A606 L607 E610 | L586-L589 HydrophobicContact CB-CB 3.97Å; L586-L589 HydrophobicContact CB-CD1 4.43Å; L586-L589 PolarHBondContact O-N 3.28Å; R587-L589 PolarHBondContact O-N 2.59Å; L589-G603 CarbonylContact O-C 3.56Å; L589-G603 VanDerWaalsContact O-CA 3.25Å; L589-G603 WeakPolarHBondContact O-CA 3.48Å; L589-N604 PolarHBondContact O-N 2.8Å; L589-N604 PolarHBondContact O-OD1 2.69Å; L589-A606 HydrophobicContact CD2-CB 3.69Å; L589-L607 HydrophobicContact CB-CB 4.02Å; L589-L607 HydrophobicContact CB-CD1 4.17Å; L589-E610 WeakPolarHBondContact CD1-OE2 3.34Å |
| 590 | G | 90.6 | Very high | 89.1 | Confident | 21 Ų | 21 | 67.1 Ų | 67.1 | 22% | 0.216 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 153.6 | -145.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L586 L602 | L586-G590 WeakPolarHBondContact CA-O 3.41Å; L586-G590 PolarHBondContact N-O 3.03Å; L586-G590 PolarHBondContact O-N 3.31Å; G590-L602 CarbonylContact C-O 3.58Å; G590-L602 VanDerWaalsContact CA-O 3.27Å; G590-L602 WeakPolarHBondContact CA-O 3.48Å |
| 591 | V | 92.5 | Very high | 89.3 | Confident | 5 Ų | 5 | 66.9 Ų | 66.9 | 3% | 0.03 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 154.3 | 179.2 | -63.2 | 0 | 0 | 0 | 0 | 111.5 | L556 F583 R584 T585 L602 | L556-V591 HydrophobicContact CB-CG2 4.07Å; L556-V591 HydrophobicContact CD1-CG2 4.43Å; F583-V591 HydrophobicContact CE2-CB 3.74Å; F583-V591 HydrophobicContact CE2-CG1 3.82Å; F583-V591 HydrophobicContact CE2-CG2 4.36Å; F583-V591 HydrophobicContact CZ-CB 4.23Å; F583-V591 HydrophobicContact CZ-CG1 3.8Å; R584-V591 CarbonylContact O-C 3.5Å; R584-V591 WeakPolarHBondContact O-CA 3.47Å; T585-V591 HydrophobicContact CG2-CG1 4.46Å; V591-L602 HydrophobicContact CG2-CB 3.82Å; V591-L602 HydrophobicContact CG2-CD2 4.18Å; V591-L602 HydrophobicContact CG2-CG 4.49Å; V591-L602 PolarHBondContact N-O 3.09Å; V591-L602 PolarHBondContact O-N 3.04Å |
| 592 | S | 93.7 | Very high | 89.5 | Confident | 20 Ų | 20 | 62.4 Ų | 62.4 | 14% | 0.14 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 159.3 | 175.2 | 70 | 0 | 0 | 0 | 0 | 111.8 | F583 R584 L600 | F583-S592 CarbonylContact C-O 3.56Å; F583-S592 VanDerWaalsContact CA-O 3.31Å; F583-S592 WeakPolarHBondContact CA-O 3.36Å; R584-S592 PolarHBondContact N-O 2.87Å; R584-S592 PolarHBondContact O-N 2.71Å; S592-L600 WeakPolarHBondContact CA-O 3.25Å |
| 593 | G | 92.2 | Very high | 89.8 | Confident | 8 Ų | 8 | 59.9 Ų | 59.9 | 8% | 0.082 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 176.4 | -178.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L600 | G593-L600 PolarHBondContact N-O 3.38Å; G593-L600 VanDerWaalsContact N-O 3.09Å; G593-L600 WeakPolarHBondContact O-CA 3.28Å; G593-L600 PolarHBondContact O-N 2.77Å |
| 594 | E | 93.4 | Very high | 89.8 | Confident | 116 Ų | 116 | 59.6 Ų | 59.6 | 54% | 0.542 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 128.8 | 176.4 | -67.1 | 177.2 | -176.8 | 0 | 0 | 109.8 | V580 N581 H598 | V580-E594 CarbonylContact C-O 3.6Å; V580-E594 WeakPolarHBondContact CA-O 3.44Å; N581-E594 PolarHBondContact N-O 2.96Å; N581-E594 PolarHBondContact O-N 3.47Å; E594-H598 VanDerWaalsContact CA-O 3.29Å; E594-H598 WeakPolarHBondContact CA-O 3.37Å |
| 595 | A | 90.4 | Very high | 89.8 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.008 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 141.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110 | P578 V580 G597 H598 L600 | P578-A595 HydrophobicContact CB-CB 4.26Å; P578-A595 HydrophobicContact CG-CB 4.12Å; V580-A595 HydrophobicContact CG2-CB 4.24Å; A595-G597 PolarHBondContact O-N 3.18Å; A595-H598 PolarHBondContact N-O 2.97Å; A595-H598 VanDerWaalsContact N-O 3.09Å; A595-H598 PolarHBondContact O-N 3.37Å; A595-L600 HydrophobicContact CB-CD1 3.67Å |
| 596 | E | 89.7 | Confident | 90 | Very high | 108 Ų | 108 | 52 Ų | 52 | 51% | 0.505 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 24.9 | -178.7 | -56.1 | -176.1 | 148.8 | 0 | 0 | 114.1 | R551 P578 H598 | R551-E596 IonicContact CZ-OE2 2.64Å; R551-E596 IonicContact NH2-OE1 3.81Å; R551-E596 IonicContact NH2-OE2 3.56Å; R551-E596 PolarHBondContact NH2-OE2 3.33Å; P578-E596 HydrophobicContact CB-CG 3.63Å; P578-E596 HydrophobicContact CG-CG 4.2Å; E596-H598 VanDerWaalsContact C-N 3.34Å |
| 597 | G | 87.3 | Confident | 90.2 | Very high | 79 Ų | 79 | 49.5 Ų | 49.5 | 81% | 0.814 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.3 | 2.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | A595 | A595-G597 PolarHBondContact O-N 3.18Š|
| 598 | H | 91.3 | Very high | 90.7 | Very high | 74 Ų | 74 | 37.9 Ų | 37.9 | 34% | 0.343 | 25% | 0.25 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 141.4 | 177.9 | -65.6 | -72.6 | 0 | 0 | 0 | 111.8 | E594 A595 E596 L600 V637 D638 | E594-H598 VanDerWaalsContact CA-O 3.29Å; E594-H598 WeakPolarHBondContact CA-O 3.37Å; A595-H598 PolarHBondContact N-O 2.97Å; A595-H598 VanDerWaalsContact N-O 3.09Å; A595-H598 PolarHBondContact O-N 3.37Å; E596-H598 VanDerWaalsContact C-N 3.34Å; H598-L600 HydrophobicContact CB-CD2 4.21Å; H598-V637 HydrophobicContact CB-CG1 3.92Å; H598-D638 WeakPolarHBondContact CA-OD1 3.48Å; H598-D638 IonicContact CE1-OD2 3.96Å; H598-D638 IonicContact CG-OD2 2.71Å; H598-D638 IonicContact ND1-OD1 3.58Å; H598-D638 IonicContact ND1-OD2 2.9Å; H598-D638 PolarHBondContact ND1-OD2 3.26Å |
| 599 | A | 93 | Very high | 91.2 | Very high | 48 Ų | 48 | 38.4 Ų | 38.4 | 40% | 0.397 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 122.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110 | V637 D638 | A599-V637 WeakPolarHBondContact O-CA 3.35Å; A599-D638 PolarHBondContact N-OD1 2.79Å; A599-D638 PolarHBondContact O-N 2.94Å |
| 600 | L | 94.2 | Very high | 91.3 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.01 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 138.6 | -173.2 | -52.3 | 179.1 | 0 | 0 | 0 | 111.8 | L552 L556 S592 G593 A595 H598 A636 V637 | L552-L600 HydrophobicContact CB-CD1 4.36Å; L552-L600 HydrophobicContact CD1-CD2 4.32Å; L552-L600 HydrophobicContact CD2-CD1 4.16Å; L556-L600 HydrophobicContact CD1-CB 3.54Å; L556-L600 HydrophobicContact CD1-CD1 4.29Å; L556-L600 HydrophobicContact CD2-CB 4.15Å; L556-L600 HydrophobicContact CD2-CD1 4.45Å; L556-L600 HydrophobicContact CG-CB 4.02Å; L556-L600 HydrophobicContact CG-CD1 4.03Å; S592-L600 WeakPolarHBondContact CA-O 3.25Å; G593-L600 PolarHBondContact N-O 3.38Å; G593-L600 VanDerWaalsContact N-O 3.09Å; G593-L600 WeakPolarHBondContact O-CA 3.28Å; G593-L600 PolarHBondContact O-N 2.77Å; A595-L600 HydrophobicContact CB-CD1 3.67Å; H598-L600 HydrophobicContact CB-CD2 4.21Å; L600-A636 WeakPolarHBondContact CA-O 3.2Å; L600-V637 HydrophobicContact CD2-CB 4.32Å; L600-V637 HydrophobicContact CD2-CG1 4.16Å; L600-V637 HydrophobicContact CD2-CG2 3.69Å |
| 601 | L | 94.3 | Very high | 91.2 | Very high | 25 Ų | 25 | 46.3 Ų | 46.3 | 13% | 0.131 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 133.6 | 170.4 | -59.7 | 168.8 | 0 | 0 | 0 | 108.9 | L607 Q611 V613 L635 A636 | L601-L607 HydrophobicContact CB-CD2 4.36Å; L601-Q611 HydrophobicContact CD1-CB 3.57Å; L601-Q611 HydrophobicContact CD1-CG 3.64Å; L601-Q611 HydrophobicContact CD2-CG 4.23Å; L601-V613 HydrophobicContact CD1-CG2 4.26Å; L601-L635 CarbonylContact O-C 3.46Å; L601-L635 WeakPolarHBondContact O-CA 3.29Å; L601-A636 HydrophobicContact CB-CB 4.26Å; L601-A636 PolarHBondContact N-O 3.44Å; L601-A636 PolarHBondContact O-N 3.32Å |
| 602 | L | 94.3 | Very high | 90.9 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 118 | 176 | -175.3 | 76.9 | 0 | 0 | 0 | 109.5 | A553 L556 E557 I568 G590 V591 V633 L634 L635 L645 | A553-L602 HydrophobicContact CB-CD1 3.9Å; A553-L602 HydrophobicContact CB-CD2 4.18Å; L556-L602 HydrophobicContact CD1-CB 3.67Å; E557-L602 HydrophobicContact CG-CD2 3.42Å; E557-L602 VanDerWaalsContact CG-CD2 3.42Å; E557-L602 WeakPolarHBondContact OE1-CD2 3.26Å; I568-L602 HydrophobicContact CD1-CD2 4.15Å; G590-L602 CarbonylContact C-O 3.58Å; G590-L602 VanDerWaalsContact CA-O 3.27Å; G590-L602 WeakPolarHBondContact CA-O 3.48Å; V591-L602 HydrophobicContact CG2-CB 3.82Å; V591-L602 HydrophobicContact CG2-CD2 4.18Å; V591-L602 HydrophobicContact CG2-CG 4.49Å; V591-L602 PolarHBondContact N-O 3.09Å; V591-L602 PolarHBondContact O-N 3.04Å; L602-V633 HydrophobicContact CD1-CG1 3.68Å; L602-V633 HydrophobicContact CD2-CG1 4.44Å; L602-V633 HydrophobicContact CG-CG1 3.74Å; L602-L634 VanDerWaalsContact CA-O 3.31Å; L602-L634 WeakPolarHBondContact CA-O 3.47Å; L602-L635 HydrophobicContact CB-CD1 4.45Å; L602-L635 HydrophobicContact CD1-CB 3.92Å; L602-L635 HydrophobicContact CD1-CD1 4.02Å; L602-L645 HydrophobicContact CD1-CD1 4.17Å |
| 603 | G | 92.6 | Very high | 90.6 | Very high | 8 Ų | 8 | 54.1 Ų | 54.1 | 8% | 0.082 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 174.8 | -159.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L589 L634 | L589-G603 CarbonylContact O-C 3.56Å; L589-G603 VanDerWaalsContact O-CA 3.25Å; L589-G603 WeakPolarHBondContact O-CA 3.48Å; G603-L634 PolarHBondContact N-O 3.05Å; G603-L634 WeakPolarHBondContact O-CB 3.26Å; G603-L634 PolarHBondContact O-N 3.35Å |
| 604 | N | 90.4 | Very high | 90.2 | Very high | 60 Ų | 60 | 56.8 Ų | 56.8 | 32% | 0.321 | 33% | 0.328 | S | S | . | . | trans | -80.7 | 175.2 | 178.8 | 66 | 24 | 0 | 0 | 0 | 112.4 | G588 L589 A606 L607 | G588-N604 PolarHBondContact O-ND2 2.94Å; L589-N604 PolarHBondContact O-N 2.8Å; L589-N604 PolarHBondContact O-OD1 2.69Å; N604-A606 PolarHBondContact O-N 3.05Å; N604-A606 WeakPolarHBondContact OD1-CB 3.39Å; N604-A606 PolarHBondContact OD1-N 3.38Å; N604-A606 VanDerWaalsContact OD1-N 3.12Å; N604-L607 WeakPolarHBondContact O-CB 3.44Å; N604-L607 PolarHBondContact O-N 3.47Å; N604-L607 PolarHBondContact OD1-N 2.75Å | ||
| 605 | Q | 89.3 | Confident | 89.7 | Confident | 61 Ų | 61 | 51.7 Ų | 51.7 | 29% | 0.285 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.5 | -30.2 | 179.4 | -164.3 | -179 | 6.7 | 0 | 0 | 113.1 | L608 N609 T615 I622 L634 | Q605-L608 PolarHBondContact O-N 3.08Å; Q605-N609 WeakPolarHBondContact O-CB 3.48Å; Q605-N609 PolarHBondContact O-N 3.09Å; Q605-N609 PolarHBondContact O-ND2 3.28Å; Q605-T615 HydrophobicContact CG-CG2 4.1Å; Q605-T615 PolarHBondContact NE2-OG1 3.09Å; Q605-I622 HydrophobicContact CG-CD1 4.42Å; Q605-L634 HydrophobicContact CB-CD1 4.18Å; Q605-L634 HydrophobicContact CG-CD1 4.48Å |
| 606 | A | 88.8 | Confident | 89.3 | Confident | 48 Ų | 48 | 60.4 Ų | 60.4 | 40% | 0.397 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -65.3 | -40.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L589 N604 L608 N609 E610 | L589-A606 HydrophobicContact CD2-CB 3.69Å; N604-A606 PolarHBondContact O-N 3.05Å; N604-A606 WeakPolarHBondContact OD1-CB 3.39Å; N604-A606 PolarHBondContact OD1-N 3.38Å; N604-A606 VanDerWaalsContact OD1-N 3.12Å; A606-L608 PolarHBondContact O-N 3.48Å; A606-N609 PolarHBondContact O-N 3.25Å; A606-E610 WeakPolarHBondContact O-CB 3.29Å; A606-E610 PolarHBondContact O-N 3.15Å |
| 607 | L | 90.8 | Very high | 89 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -56.7 | -50.1 | 174.6 | 177.5 | 58 | 0 | 0 | 0 | 111.8 | L586 L589 L601 N604 N609 E610 Q611 | L586-L607 HydrophobicContact CD1-CD1 3.28Å; L589-L607 HydrophobicContact CB-CB 4.02Å; L589-L607 HydrophobicContact CB-CD1 4.17Å; L601-L607 HydrophobicContact CB-CD2 4.36Å; N604-L607 WeakPolarHBondContact O-CB 3.44Å; N604-L607 PolarHBondContact O-N 3.47Å; N604-L607 PolarHBondContact OD1-N 2.75Å; L607-N609 VanDerWaalsContact C-N 3.34Å; L607-N609 PolarHBondContact O-N 2.97Å; L607-E610 PolarHBondContact O-N 3.23Å; L607-Q611 HydrophobicContact CD1-CG 4.39Å; L607-Q611 PolarHBondContact O-N 3.45Å; L607-Q611 VanDerWaalsContact O-N 3.09Å |
| 608 | L | 91.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.5 | -40.6 | -177.9 | -88.8 | 68.1 | 0 | 0 | 0 | 111.1 | Q605 A606 Q611 Q612 V613 T615 L634 A636 A641 | Q605-L608 PolarHBondContact O-N 3.08Å; A606-L608 PolarHBondContact O-N 3.48Å; L608-Q611 CarbonylContact O-C 3.6Å; L608-Q611 PolarHBondContact O-N 3.03Å; L608-Q612 PolarHBondContact O-N 3.29Å; L608-V613 HydrophobicContact CB-CB 4.01Å; L608-V613 HydrophobicContact CB-CG1 4.44Å; L608-V613 HydrophobicContact CD2-CB 4.5Å; L608-V613 HydrophobicContact CD2-CG1 4.05Å; L608-V613 HydrophobicContact CG-CB 4.12Å; L608-V613 HydrophobicContact CG-CG1 4.18Å; L608-V613 WeakPolarHBondContact O-CB 3.49Å; L608-V613 PolarHBondContact O-N 3.29Å; L608-T615 HydrophobicContact CB-CG2 3.68Å; L608-T615 HydrophobicContact CD2-CG2 3.84Å; L608-T615 HydrophobicContact CG-CG2 4.43Å; L608-L634 HydrophobicContact CD1-CB 3.9Å; L608-L634 HydrophobicContact CD2-CB 3.67Å; L608-L634 HydrophobicContact CD2-CD1 3.85Å; L608-L634 HydrophobicContact CD2-CG 4.37Å; L608-L634 HydrophobicContact CG-CB 4.45Å; L608-A636 HydrophobicContact CD2-CB 4.35Å; L608-A636 HydrophobicContact CG-CB 4.32Å; L608-A641 HydrophobicContact CD2-CB 3.96Å |
| 609 | N | 88.9 | Confident | 88.7 | Confident | 83 Ų | 83 | 57.6 Ų | 57.6 | 44% | 0.444 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.9 | -38.8 | 176.8 | -69.1 | -15.5 | 0 | 0 | 0 | 112 | Q605 A606 L607 Q611 Q612 T615 | Q605-N609 WeakPolarHBondContact O-CB 3.48Å; Q605-N609 PolarHBondContact O-N 3.09Å; Q605-N609 PolarHBondContact O-ND2 3.28Å; A606-N609 PolarHBondContact O-N 3.25Å; L607-N609 VanDerWaalsContact C-N 3.34Å; L607-N609 PolarHBondContact O-N 2.97Å; N609-Q611 VanDerWaalsContact C-N 3.31Å; N609-Q611 PolarHBondContact O-N 3.39Å; N609-Q612 PolarHBondContact O-N 3.33Å; N609-Q612 VanDerWaalsContact O-N 3.16Å; N609-T615 PolarHBondContact OD1-OG1 3.18Å |
| 610 | E | 88.1 | Confident | 88.4 | Confident | 124 Ų | 124 | 59 Ų | 59 | 58% | 0.579 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -64.8 | -36.1 | 176.5 | -171.1 | 175.7 | 174.9 | 0 | 0 | 111.9 | L589 A606 L607 Q612 | L589-E610 WeakPolarHBondContact CD1-OE2 3.34Å; A606-E610 WeakPolarHBondContact O-CB 3.29Å; A606-E610 PolarHBondContact O-N 3.15Å; L607-E610 PolarHBondContact O-N 3.23Å; E610-Q612 PolarHBondContact O-N 3.5Å |
| 611 | Q | 88.5 | Confident | 88.1 | Confident | 101 Ų | 101 | 61.6 Ų | 61.6 | 47% | 0.472 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 15.7 | 175.5 | -61.4 | -61.1 | -38.4 | 0 | 0 | 113.5 | L601 L607 L608 N609 V613 | L601-Q611 HydrophobicContact CD1-CB 3.57Å; L601-Q611 HydrophobicContact CD1-CG 3.64Å; L601-Q611 HydrophobicContact CD2-CG 4.23Å; L607-Q611 HydrophobicContact CD1-CG 4.39Å; L607-Q611 PolarHBondContact O-N 3.45Å; L607-Q611 VanDerWaalsContact O-N 3.09Å; L608-Q611 CarbonylContact O-C 3.6Å; L608-Q611 PolarHBondContact O-N 3.03Å; N609-Q611 VanDerWaalsContact C-N 3.31Å; N609-Q611 PolarHBondContact O-N 3.39Å; Q611-V613 HydrophobicContact CB-CG2 4.28Å; Q611-V613 PolarHBondContact O-N 2.76Å; Q611-V613 VanDerWaalsContact O-N 3.14Å |
| 612 | Q | 87.2 | Confident | 87.8 | Confident | 185 Ų | 185 | 61.2 Ų | 61.2 | 86% | 0.864 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | 25.7 | 178.2 | -56.6 | -175.2 | -20.9 | 0 | 0 | 114.7 | L608 N609 E610 | L608-Q612 PolarHBondContact O-N 3.29Å; N609-Q612 PolarHBondContact O-N 3.33Å; N609-Q612 VanDerWaalsContact O-N 3.16Å; E610-Q612 PolarHBondContact O-N 3.5Å |
| 613 | V | 87.2 | Confident | 87.4 | Confident | 4 Ų | 4 | 65.3 Ų | 65.3 | 2% | 0.024 | 37% | 0.372 | C | S | . | . | trans | -81.5 | 123.8 | 174.5 | -178.1 | 0 | 0 | 0 | 0 | 109.3 | L601 L608 Q611 T615 A636 A641 | L601-V613 HydrophobicContact CD1-CG2 4.26Å; L608-V613 HydrophobicContact CB-CB 4.01Å; L608-V613 HydrophobicContact CB-CG1 4.44Å; L608-V613 HydrophobicContact CD2-CB 4.5Å; L608-V613 HydrophobicContact CD2-CG1 4.05Å; L608-V613 HydrophobicContact CG-CB 4.12Å; L608-V613 HydrophobicContact CG-CG1 4.18Å; L608-V613 WeakPolarHBondContact O-CB 3.49Å; L608-V613 PolarHBondContact O-N 3.29Å; Q611-V613 HydrophobicContact CB-CG2 4.28Å; Q611-V613 PolarHBondContact O-N 2.76Å; Q611-V613 VanDerWaalsContact O-N 3.14Å; V613-T615 PolarHBondContact O-N 3.43Å; V613-A636 HydrophobicContact CG1-CB 4.09Å; V613-A636 HydrophobicContact CG2-CB 4.3Å; V613-A641 HydrophobicContact CG1-CB 4.08Å | ||
| 614 | G | 83.4 | Confident | 87.2 | Confident | 65 Ų | 65 | 66.5 Ų | 66.5 | 67% | 0.67 | 38% | 0.382 | S | S | * | . | trans | -69.2 | 111.4 | -178 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 615 | T | 83.7 | Confident | 87.1 | Confident | 8 Ų | 8 | 64.2 Ų | 64.2 | 5% | 0.049 | 37% | 0.369 | C | S | . | . | trans | -99.2 | -5.2 | -179.3 | 56.1 | 0 | 0 | 0 | 0 | 114.9 | Q605 L608 N609 V613 A617 I618 E619 L634 | Q605-T615 HydrophobicContact CG-CG2 4.1Å; Q605-T615 PolarHBondContact NE2-OG1 3.09Å; L608-T615 HydrophobicContact CB-CG2 3.68Å; L608-T615 HydrophobicContact CD2-CG2 3.84Å; L608-T615 HydrophobicContact CG-CG2 4.43Å; N609-T615 PolarHBondContact OD1-OG1 3.18Å; V613-T615 PolarHBondContact O-N 3.43Å; T615-A617 VanDerWaalsContact C-N 3.32Å; T615-A617 PolarHBondContact O-N 2.84Å; T615-I618 WeakPolarHBondContact O-CG1 3.34Å; T615-I618 PolarHBondContact O-N 3.24Å; T615-I618 VanDerWaalsContact O-N 3.09Å; T615-E619 PolarHBondContact O-N 2.78Å; T615-E619 VanDerWaalsContact O-N 3.15Å; T615-L634 HydrophobicContact CG2-CD1 4.5Å | ||
| 616 | K | 82.3 | Confident | 86.8 | Confident | 184 Ų | 184 | 62.2 Ų | 62.2 | 80% | 0.8 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -36.4 | -174.5 | -72 | -173.4 | 176.7 | -178.3 | 0 | 114.7 | I618 | K616-I618 PolarHBondContact O-N 3.02Š|
| 617 | A | 81.9 | Confident | 86.6 | Confident | 99 Ų | 99 | 63.2 Ų | 63.2 | 82% | 0.818 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -22.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113 | T615 | T615-A617 VanDerWaalsContact C-N 3.32Å; T615-A617 PolarHBondContact O-N 2.84Å |
| 618 | I | 86.2 | Confident | 86.2 | Confident | 9 Ų | 9 | 68.5 Ų | 68.5 | 5% | 0.046 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -3.1 | -174.8 | 61.6 | 170.4 | 0 | 0 | 0 | 112.7 | F541 T615 K616 A620 E621 I622 L634 A641 | F541-I618 HydrophobicContact CD1-CG2 3.72Å; F541-I618 HydrophobicContact CD2-CG2 3.74Å; F541-I618 HydrophobicContact CE1-CB 4.36Å; F541-I618 HydrophobicContact CE1-CG2 3.53Å; F541-I618 HydrophobicContact CE2-CB 4.16Å; F541-I618 HydrophobicContact CE2-CG2 3.56Å; F541-I618 HydrophobicContact CG-CG2 3.83Å; F541-I618 HydrophobicContact CZ-CB 3.95Å; F541-I618 HydrophobicContact CZ-CG2 3.45Å; F541-I618 VanDerWaalsContact CZ-CG2 3.45Å; T615-I618 WeakPolarHBondContact O-CG1 3.34Å; T615-I618 PolarHBondContact O-N 3.24Å; T615-I618 VanDerWaalsContact O-N 3.09Å; K616-I618 PolarHBondContact O-N 3.02Å; I618-A620 VanDerWaalsContact C-N 3.28Å; I618-A620 PolarHBondContact O-N 3.17Å; I618-E621 PolarHBondContact O-N 3.48Å; I618-I622 HydrophobicContact CD1-CD1 4.15Å; I618-I622 HydrophobicContact CG1-CD1 3.99Å; I618-I622 WeakPolarHBondContact O-CG1 3.1Å; I618-I622 PolarHBondContact O-N 3.26Å; I618-L634 HydrophobicContact CD1-CD1 4.37Å; I618-L634 HydrophobicContact CD1-CD2 3.92Å; I618-A641 HydrophobicContact CD1-CB 3.78Å |
| 619 | E | 86.9 | Confident | 85.7 | Confident | 95 Ų | 95 | 68.7 Ų | 68.7 | 44% | 0.444 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -59.2 | -36.3 | -177.6 | -171 | 170.8 | -170.1 | 0 | 0 | 113.2 | T615 E621 I622 T623 | T615-E619 PolarHBondContact O-N 2.78Å; T615-E619 VanDerWaalsContact O-N 3.15Å; E619-E621 VanDerWaalsContact C-N 3.35Å; E619-I622 PolarHBondContact O-N 3.17Å; E619-T623 WeakPolarHBondContact O-CB 3.47Å; E619-T623 PolarHBondContact O-N 3.06Å; E619-T623 PolarHBondContact O-OG1 3.43Å |
| 620 | A | 87.1 | Confident | 85.6 | Confident | 78 Ų | 78 | 64.8 Ų | 64.8 | 65% | 0.645 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -63.3 | -40.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112 | I618 A624 | I618-A620 VanDerWaalsContact C-N 3.28Å; I618-A620 PolarHBondContact O-N 3.17Å; A620-A624 WeakPolarHBondContact O-CB 3.32Å; A620-A624 PolarHBondContact O-N 3.35Å |
| 621 | E | 88 | Confident | 85.5 | Confident | 56 Ų | 56 | 61.5 Ų | 61.5 | 26% | 0.262 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -72.8 | -41 | 178.9 | -167.4 | 64.3 | -152.6 | 0 | 0 | 111.1 | K539 I618 E619 T623 A624 Q625 L644 | K539-E621 WeakPolarHBondContact CE-OE1 3.44Å; K539-E621 HydrophobicContact CG-CG 4.13Å; I618-E621 PolarHBondContact O-N 3.48Å; E619-E621 VanDerWaalsContact C-N 3.35Å; E621-T623 VanDerWaalsContact C-N 3.28Å; E621-T623 PolarHBondContact O-N 3.18Å; E621-A624 PolarHBondContact O-N 3.19Å; E621-Q625 HydrophobicContact CG-CG 4.33Å; E621-Q625 WeakPolarHBondContact O-CB 3.47Å; E621-Q625 VanDerWaalsContact O-CG 3.28Å; E621-Q625 WeakPolarHBondContact O-CG 3.29Å; E621-Q625 PolarHBondContact O-N 2.99Å; E621-Q625 PolarHBondContact OE1-NE2 3.36Å; E621-L644 HydrophobicContact CB-CD1 4.46Å; E621-L644 HydrophobicContact CG-CD1 4.22Å |
| 622 | I | 86.7 | Confident | 85.6 | Confident | 16 Ų | 16 | 57.9 Ų | 57.9 | 8% | 0.082 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -53.8 | -49 | 173.2 | -67.7 | 168.4 | 0 | 0 | 0 | 110.1 | Q605 I618 E619 A626 P632 L634 L644 | Q605-I622 HydrophobicContact CG-CD1 4.42Å; I618-I622 HydrophobicContact CD1-CD1 4.15Å; I618-I622 HydrophobicContact CG1-CD1 3.99Å; I618-I622 WeakPolarHBondContact O-CG1 3.1Å; I618-I622 PolarHBondContact O-N 3.26Å; E619-I622 PolarHBondContact O-N 3.17Å; I622-A626 VanDerWaalsContact O-CB 3.29Å; I622-A626 WeakPolarHBondContact O-CB 3.31Å; I622-A626 PolarHBondContact O-N 2.93Å; I622-P632 HydrophobicContact CG2-CB 4.39Å; I622-P632 HydrophobicContact CG2-CG 3.83Å; I622-L634 HydrophobicContact CD1-CD1 3.71Å; I622-L634 HydrophobicContact CD1-CD2 4Å; I622-L634 HydrophobicContact CD1-CG 4.44Å; I622-L634 HydrophobicContact CG1-CD1 4.48Å; I622-L634 HydrophobicContact CG1-CD2 3.98Å; I622-L644 HydrophobicContact CB-CD1 4.38Å; I622-L644 HydrophobicContact CG1-CD1 3.64Å |
| 623 | T | 86.6 | Confident | 85.9 | Confident | 87 Ų | 87 | 49.6 Ų | 49.6 | 53% | 0.534 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.9 | -41.3 | -180 | -53.6 | 0 | 0 | 0 | 0 | 111.6 | E619 E621 A626 S627 | E619-T623 WeakPolarHBondContact O-CB 3.47Å; E619-T623 PolarHBondContact O-N 3.06Å; E619-T623 PolarHBondContact O-OG1 3.43Å; E621-T623 VanDerWaalsContact C-N 3.28Å; E621-T623 PolarHBondContact O-N 3.18Å; T623-A626 PolarHBondContact O-N 3.04Å; T623-S627 WeakPolarHBondContact O-CB 3.45Å; T623-S627 PolarHBondContact O-N 2.94Å; T623-S627 PolarHBondContact O-OG 3.39Å |
| 624 | A | 87.9 | Confident | 86.2 | Confident | 34 Ų | 34 | 49.4 Ų | 49.4 | 28% | 0.281 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.6 | -47.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A620 E621 S627 Q628 | A620-A624 WeakPolarHBondContact O-CB 3.32Å; A620-A624 PolarHBondContact O-N 3.35Å; E621-A624 PolarHBondContact O-N 3.19Å; A624-S627 PolarHBondContact O-N 3.19Å; A624-S627 PolarHBondContact O-OG 3.44Å; A624-Q628 WeakPolarHBondContact O-CG 3.42Å; A624-Q628 PolarHBondContact O-N 2.89Å |
| 625 | Q | 88 | Confident | 86.7 | Confident | 11 Ų | 11 | 46.3 Ų | 46.3 | 5% | 0.051 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.9 | -42.5 | 178.5 | -64 | -62 | -29.3 | 0 | 0 | 111.5 | E621 S627 Q628 A630 L644 A646 | E621-Q625 HydrophobicContact CG-CG 4.33Å; E621-Q625 WeakPolarHBondContact O-CB 3.47Å; E621-Q625 VanDerWaalsContact O-CG 3.28Å; E621-Q625 WeakPolarHBondContact O-CG 3.29Å; E621-Q625 PolarHBondContact O-N 2.99Å; E621-Q625 PolarHBondContact OE1-NE2 3.36Å; Q625-S627 VanDerWaalsContact C-N 3.31Å; Q625-S627 PolarHBondContact O-N 3.01Å; Q625-Q628 PolarHBondContact O-N 3.35Å; Q625-Q628 VanDerWaalsContact O-N 3.09Å; Q625-A630 HydrophobicContact CB-CB 4.49Å; Q625-A630 WeakPolarHBondContact O-CB 3.5Å; Q625-A630 PolarHBondContact O-N 2.94Å; Q625-A630 VanDerWaalsContact O-N 3.11Å; Q625-L644 HydrophobicContact CB-CD2 4.43Å; Q625-L644 HydrophobicContact CG-CD2 3.89Å; Q625-A646 HydrophobicContact CB-CB 4.38Å; Q625-A646 HydrophobicContact CG-CB 4.26Å |
| 626 | A | 83.3 | Confident | 87.2 | Confident | 20 Ų | 20 | 46 Ų | 46 | 17% | 0.165 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.5 | -39.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | I622 T623 Q628 G629 A630 | I622-A626 VanDerWaalsContact O-CB 3.29Å; I622-A626 WeakPolarHBondContact O-CB 3.31Å; I622-A626 PolarHBondContact O-N 2.93Å; T623-A626 PolarHBondContact O-N 3.04Å; A626-Q628 PolarHBondContact O-N 3.31Å; A626-G629 PolarHBondContact O-N 3.28Å; A626-A630 WeakPolarHBondContact CA-O 3.27Å |
| 627 | S | 83.9 | Confident | 87.7 | Confident | 68 Ų | 68 | 38.2 Ų | 38.2 | 48% | 0.476 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -67.8 | -16.5 | 176.9 | 76.9 | 0 | 0 | 0 | 0 | 114 | T623 A624 Q625 G629 A682 | T623-S627 WeakPolarHBondContact O-CB 3.45Å; T623-S627 PolarHBondContact O-N 2.94Å; T623-S627 PolarHBondContact O-OG 3.39Å; A624-S627 PolarHBondContact O-N 3.19Å; A624-S627 PolarHBondContact O-OG 3.44Å; Q625-S627 VanDerWaalsContact C-N 3.31Å; Q625-S627 PolarHBondContact O-N 3.01Å; S627-G629 VanDerWaalsContact C-N 3.34Å; S627-A682 WeakPolarHBondContact O-CB 3.33Å |
| 628 | Q | 83.4 | Confident | 88.1 | Confident | 112 Ų | 112 | 37.8 Ų | 37.8 | 52% | 0.523 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 7.6 | 173.6 | -65.9 | 175.3 | 11.8 | 0 | 0 | 112.4 | A624 Q625 A626 A630 | A624-Q628 WeakPolarHBondContact O-CG 3.42Å; A624-Q628 PolarHBondContact O-N 2.89Å; Q625-Q628 PolarHBondContact O-N 3.35Å; Q625-Q628 VanDerWaalsContact O-N 3.09Å; A626-Q628 PolarHBondContact O-N 3.31Å; Q628-A630 VanDerWaalsContact C-N 3.31Å |
| 629 | G | 80.6 | Confident | 88.2 | Confident | 3 Ų | 3 | 39.6 Ų | 39.6 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | 11 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | A626 S627 | A626-G629 PolarHBondContact O-N 3.28Å; S627-G629 VanDerWaalsContact C-N 3.34Å |
| 630 | A | 86.6 | Confident | 88.4 | Confident | 2 Ų | 2 | 42 Ų | 42 | 2% | 0.017 | 26% | 0.256 | C | S | . | . | trans | -89.8 | 148.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | V536 Q625 A626 Q628 P632 A646 R648 | V536-A630 HydrophobicContact CG2-CB 4.37Å; Q625-A630 HydrophobicContact CB-CB 4.49Å; Q625-A630 WeakPolarHBondContact O-CB 3.5Å; Q625-A630 PolarHBondContact O-N 2.94Å; Q625-A630 VanDerWaalsContact O-N 3.11Å; A626-A630 WeakPolarHBondContact CA-O 3.27Å; Q628-A630 VanDerWaalsContact C-N 3.31Å; A630-P632 WeakPolarHBondContact O-CD 3.39Å; A630-A646 HydrophobicContact CB-CB 3.92Å; A630-R648 HydrophobicContact CB-CB 4.24Å | ||
| 631 | T | 86.6 | Confident | 88.6 | Confident | 55 Ų | 55 | 39 Ų | 39 | 34% | 0.337 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 111.6 | 170.3 | -59.9 | 0 | 0 | 0 | 0 | 108.5 | L564 V633 V647 | L564-T631 HydrophobicContact CD1-CG2 4.33Å; T631-V633 PolarHBondContact O-N 3.44Å; T631-V647 PolarHBondContact N-O 2.89Å; T631-V647 PolarHBondContact O-N 2.92Å |
| 632 | P | 90.4 | Very high | 88.9 | Confident | 25 Ų | 25 | 36.7 Ų | 36.7 | 16% | 0.162 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 119.9 | 178.5 | 29.3 | -31.7 | 0 | 0 | 0 | 110.6 | I622 A630 L644 | I622-P632 HydrophobicContact CG2-CB 4.39Å; I622-P632 HydrophobicContact CG2-CG 3.83Å; A630-P632 WeakPolarHBondContact O-CD 3.39Å; P632-L644 HydrophobicContact CB-CD1 3.89Å; P632-L644 HydrophobicContact CB-CD2 4.09Å; P632-L644 HydrophobicContact CB-CG 3.96Å |
| 633 | V | 92.6 | Very high | 89.2 | Confident | 10 Ų | 10 | 36 Ų | 36 | 6% | 0.061 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 121.3 | 172.7 | -174.7 | 0 | 0 | 0 | 0 | 108.4 | L564 I568 L602 T631 L644 L645 V647 | L564-V633 HydrophobicContact CD1-CG2 4.31Å; I568-V633 HydrophobicContact CD1-CG1 4.44Å; L602-V633 HydrophobicContact CD1-CG1 3.68Å; L602-V633 HydrophobicContact CD2-CG1 4.44Å; L602-V633 HydrophobicContact CG-CG1 3.74Å; T631-V633 PolarHBondContact O-N 3.44Å; V633-L644 CarbonylContact O-C 3.39Å; V633-L644 WeakPolarHBondContact O-CA 3.2Å; V633-L645 HydrophobicContact CB-CB 4.4Å; V633-L645 PolarHBondContact N-O 3.46Å; V633-L645 PolarHBondContact O-N 3.23Å; V633-V647 HydrophobicContact CG2-CG2 4Å |
| 634 | L | 94.3 | Very high | 89.5 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 128.6 | -173.2 | -57.4 | 175.8 | 0 | 0 | 0 | 110.3 | L602 G603 Q605 L608 T615 I618 I622 L644 | L602-L634 VanDerWaalsContact CA-O 3.31Å; L602-L634 WeakPolarHBondContact CA-O 3.47Å; G603-L634 PolarHBondContact N-O 3.05Å; G603-L634 WeakPolarHBondContact O-CB 3.26Å; G603-L634 PolarHBondContact O-N 3.35Å; Q605-L634 HydrophobicContact CB-CD1 4.18Å; Q605-L634 HydrophobicContact CG-CD1 4.48Å; L608-L634 HydrophobicContact CD1-CB 3.9Å; L608-L634 HydrophobicContact CD2-CB 3.67Å; L608-L634 HydrophobicContact CD2-CD1 3.85Å; L608-L634 HydrophobicContact CD2-CG 4.37Å; L608-L634 HydrophobicContact CG-CB 4.45Å; T615-L634 HydrophobicContact CG2-CD1 4.5Å; I618-L634 HydrophobicContact CD1-CD1 4.37Å; I618-L634 HydrophobicContact CD1-CD2 3.92Å; I622-L634 HydrophobicContact CD1-CD1 3.71Å; I622-L634 HydrophobicContact CD1-CD2 4Å; I622-L634 HydrophobicContact CD1-CG 4.44Å; I622-L634 HydrophobicContact CG1-CD1 4.48Å; I622-L634 HydrophobicContact CG1-CD2 3.98Å; L634-L644 HydrophobicContact CD2-CB 3.9Å; L634-L644 HydrophobicContact CD2-CD1 3.84Å; L634-L644 HydrophobicContact CD2-CG 3.84Å |
| 635 | L | 94.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 127.5 | 171.7 | 179.3 | 68.5 | 0 | 0 | 0 | 109.3 | A549 L552 A553 L556 L601 L602 V637 V642 A643 L645 | A549-L635 HydrophobicContact CB-CD2 4.16Å; A549-L635 WeakPolarHBondContact O-CD2 3.46Å; L552-L635 HydrophobicContact CB-CD2 4.28Å; A553-L635 HydrophobicContact CB-CD2 4.48Å; L556-L635 HydrophobicContact CD1-CD1 4.45Å; L601-L635 CarbonylContact O-C 3.46Å; L601-L635 WeakPolarHBondContact O-CA 3.29Å; L602-L635 HydrophobicContact CB-CD1 4.45Å; L602-L635 HydrophobicContact CD1-CB 3.92Å; L602-L635 HydrophobicContact CD1-CD1 4.02Å; L635-V637 HydrophobicContact CG-CG2 4.48Å; L635-V642 HydrophobicContact CB-CG2 4.28Å; L635-V642 HydrophobicContact CD2-CG2 3.81Å; L635-V642 HydrophobicContact CG-CG2 3.79Å; L635-V642 PolarHBondContact O-N 3.18Å; L635-A643 HydrophobicContact CB-CB 4.17Å; L635-A643 HydrophobicContact CD2-CB 4.39Å; L635-A643 PolarHBondContact N-O 3.25Å; L635-A643 PolarHBondContact O-N 2.92Å; L635-L645 HydrophobicContact CB-CD1 4.33Å |
| 636 | A | 94.3 | Very high | 90 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 138.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L600 L601 L608 V613 K640 | L600-A636 WeakPolarHBondContact CA-O 3.2Å; L601-A636 HydrophobicContact CB-CB 4.26Å; L601-A636 PolarHBondContact N-O 3.44Å; L601-A636 PolarHBondContact O-N 3.32Å; L608-A636 HydrophobicContact CD2-CB 4.35Å; L608-A636 HydrophobicContact CG-CB 4.32Å; V613-A636 HydrophobicContact CG1-CB 4.09Å; V613-A636 HydrophobicContact CG2-CB 4.3Å; A636-K640 CarbonylContact C-O 3.58Å; A636-K640 WeakPolarHBondContact CA-O 3.42Å; A636-K640 WeakPolarHBondContact CB-O 3.18Å |
| 637 | V | 92.8 | Very high | 90.3 | Very high | 21 Ų | 21 | 28.8 Ų | 28.8 | 13% | 0.127 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 126.4 | 178.4 | -179.5 | 0 | 0 | 0 | 0 | 107.3 | L552 H598 A599 L600 L635 G639 K640 V642 | L552-V637 HydrophobicContact CD1-CG2 4.14Å; H598-V637 HydrophobicContact CB-CG1 3.92Å; A599-V637 WeakPolarHBondContact O-CA 3.35Å; L600-V637 HydrophobicContact CD2-CB 4.32Å; L600-V637 HydrophobicContact CD2-CG1 4.16Å; L600-V637 HydrophobicContact CD2-CG2 3.69Å; L635-V637 HydrophobicContact CG-CG2 4.48Å; V637-G639 VanDerWaalsContact C-N 3.25Å; V637-G639 PolarHBondContact O-N 3.49Å; V637-G639 VanDerWaalsContact O-N 3.15Å; V637-K640 PolarHBondContact N-O 3.23Å; V637-K640 PolarHBondContact O-N 3.49Å; V637-V642 HydrophobicContact CB-CG1 3.96Å; V637-V642 HydrophobicContact CB-CG2 4.19Å; V637-V642 HydrophobicContact CG2-CB 4.44Å; V637-V642 HydrophobicContact CG2-CG1 4.15Å; V637-V642 HydrophobicContact CG2-CG2 3.48Å; V637-V642 VanDerWaalsContact CG2-CG2 3.48Å |
| 638 | D | 90.1 | Very high | 90.6 | Very high | 90 Ų | 90 | 27.3 Ų | 27.3 | 48% | 0.481 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 47.7 | 44.3 | 178.6 | -59.1 | -29.8 | 0 | 0 | 0 | 113.9 | H598 A599 K640 | H598-D638 WeakPolarHBondContact CA-OD1 3.48Å; H598-D638 IonicContact CE1-OD2 3.96Å; H598-D638 IonicContact CG-OD2 2.71Å; H598-D638 IonicContact ND1-OD1 3.58Å; H598-D638 IonicContact ND1-OD2 2.9Å; H598-D638 PolarHBondContact ND1-OD2 3.26Å; A599-D638 PolarHBondContact N-OD1 2.79Å; A599-D638 PolarHBondContact O-N 2.94Å; D638-K640 VanDerWaalsContact C-N 3.34Å; D638-K640 PolarHBondContact O-N 3.17Å |
| 639 | G | 88.5 | Confident | 90.7 | Very high | 47 Ų | 47 | 22.9 Ų | 22.9 | 49% | 0.485 | 13% | 0.131 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | 9.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | V637 | V637-G639 VanDerWaalsContact C-N 3.25Å; V637-G639 PolarHBondContact O-N 3.49Å; V637-G639 VanDerWaalsContact O-N 3.15Å |
| 640 | K | 90.7 | Very high | 91.1 | Very high | 146 Ų | 146 | 24.1 Ų | 24.1 | 64% | 0.635 | 14% | 0.139 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 133.4 | 175.1 | -65 | 179.5 | -177.3 | 174.2 | 0 | 110.7 | A636 V637 D638 V642 | A636-K640 CarbonylContact C-O 3.58Å; A636-K640 WeakPolarHBondContact CA-O 3.42Å; A636-K640 WeakPolarHBondContact CB-O 3.18Å; V637-K640 PolarHBondContact N-O 3.23Å; V637-K640 PolarHBondContact O-N 3.49Å; D638-K640 VanDerWaalsContact C-N 3.34Å; D638-K640 PolarHBondContact O-N 3.17Å; K640-V642 PolarHBondContact O-N 3.15Å |
| 641 | A | 91.9 | Very high | 91.3 | Very high | 15 Ų | 15 | 24.9 Ų | 24.9 | 12% | 0.124 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 120.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | L608 V613 I618 | L608-A641 HydrophobicContact CD2-CB 3.96Å; V613-A641 HydrophobicContact CG1-CB 4.08Å; I618-A641 HydrophobicContact CD1-CB 3.78Å |
| 642 | V | 92.8 | Very high | 91.4 | Very high | 7 Ų | 7 | 24.4 Ų | 24.4 | 4% | 0.042 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | -20.8 | -174.6 | -63.2 | 0 | 0 | 0 | 0 | 113.3 | T540 F541 V544 L635 V637 K640 | T540-V642 CarbonylContact C-O 3.56Å; T540-V642 WeakPolarHBondContact CA-O 3.15Å; F541-V642 PolarHBondContact N-O 2.84Å; V544-V642 HydrophobicContact CB-CB 4.3Å; V544-V642 HydrophobicContact CG2-CB 3.81Å; V544-V642 HydrophobicContact CG2-CG1 3.86Å; L635-V642 HydrophobicContact CB-CG2 4.28Å; L635-V642 HydrophobicContact CD2-CG2 3.81Å; L635-V642 HydrophobicContact CG-CG2 3.79Å; L635-V642 PolarHBondContact O-N 3.18Å; V637-V642 HydrophobicContact CB-CG1 3.96Å; V637-V642 HydrophobicContact CB-CG2 4.19Å; V637-V642 HydrophobicContact CG2-CB 4.44Å; V637-V642 HydrophobicContact CG2-CG1 4.15Å; V637-V642 HydrophobicContact CG2-CG2 3.48Å; V637-V642 VanDerWaalsContact CG2-CG2 3.48Å; K640-V642 PolarHBondContact O-N 3.15Å |
| 643 | A | 93.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 157.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | K539 T540 A549 L635 | K539-A643 CarbonylContact O-C 3.47Å; K539-A643 WeakPolarHBondContact O-CA 3.31Å; T540-A643 HydrophobicContact CG2-CB 4.3Å; A549-A643 HydrophobicContact CB-CB 3.66Å; L635-A643 HydrophobicContact CB-CB 4.17Å; L635-A643 HydrophobicContact CD2-CB 4.39Å; L635-A643 PolarHBondContact N-O 3.25Å; L635-A643 PolarHBondContact O-N 2.92Å |
| 644 | L | 93.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 120 | 167.4 | 180 | 162 | 0 | 0 | 0 | 107.6 | V538 K539 F541 E621 I622 Q625 P632 V633 L634 A646 | V538-L644 WeakPolarHBondContact CA-O 3.49Å; K539-L644 HydrophobicContact CB-CB 4.39Å; K539-L644 PolarHBondContact N-O 3.28Å; K539-L644 PolarHBondContact O-N 2.08Å; F541-L644 HydrophobicContact CE2-CB 3.9Å; F541-L644 HydrophobicContact CZ-CB 4.3Å; E621-L644 HydrophobicContact CB-CD1 4.46Å; E621-L644 HydrophobicContact CG-CD1 4.22Å; I622-L644 HydrophobicContact CB-CD1 4.38Å; I622-L644 HydrophobicContact CG1-CD1 3.64Å; Q625-L644 HydrophobicContact CB-CD2 4.43Å; Q625-L644 HydrophobicContact CG-CD2 3.89Å; P632-L644 HydrophobicContact CB-CD1 3.89Å; P632-L644 HydrophobicContact CB-CD2 4.09Å; P632-L644 HydrophobicContact CB-CG 3.96Å; V633-L644 CarbonylContact O-C 3.39Å; V633-L644 WeakPolarHBondContact O-CA 3.2Å; L634-L644 HydrophobicContact CD2-CB 3.9Å; L634-L644 HydrophobicContact CD2-CD1 3.84Å; L634-L644 HydrophobicContact CD2-CG 3.84Å; L644-A646 HydrophobicContact CD2-CB 4.13Å |
| 645 | L | 94 | Very high | 91.2 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 114.2 | 171.7 | -60.5 | 91 | 0 | 0 | 0 | 108 | V538 L550 A553 I568 L602 V633 L635 V647 | V538-L645 HydrophobicContact CG1-CG 4.47Å; V538-L645 HydrophobicContact CG2-CG 4.47Å; L550-L645 HydrophobicContact CD1-CD2 3.97Å; A553-L645 HydrophobicContact CB-CD1 4.17Å; A553-L645 HydrophobicContact CB-CD2 4.07Å; I568-L645 HydrophobicContact CD1-CD2 4.27Å; I568-L645 HydrophobicContact CG1-CD2 4.09Å; I568-L645 HydrophobicContact CG2-CD2 4.18Å; L602-L645 HydrophobicContact CD1-CD1 4.17Å; V633-L645 HydrophobicContact CB-CB 4.4Å; V633-L645 PolarHBondContact N-O 3.46Å; V633-L645 PolarHBondContact O-N 3.23Å; L635-L645 HydrophobicContact CB-CD1 4.33Å; L645-V647 PolarHBondContact O-N 2.92Å |
| 646 | A | 92.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 110.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | V536 A537 Q625 A630 L644 | V536-A646 HydrophobicContact CG2-CB 4.05Å; V536-A646 VanDerWaalsContact CG2-O 3.31Å; V536-A646 WeakPolarHBondContact CG2-O 3.39Å; V536-A646 PolarHBondContact N-O 3.28Å; A537-A646 HydrophobicContact CB-CB 4.04Å; A537-A646 PolarHBondContact O-N 3.03Å; Q625-A646 HydrophobicContact CB-CB 4.38Å; Q625-A646 HydrophobicContact CG-CB 4.26Å; A630-A646 HydrophobicContact CB-CB 3.92Å; L644-A646 HydrophobicContact CD2-CB 4.13Å |
| 647 | V | 90.4 | Very high | 91.1 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 125.2 | 179.7 | -170.1 | 0 | 0 | 0 | 0 | 109.3 | P533 Q534 V535 L564 A567 T631 V633 L645 | P533-V647 HydrophobicContact CB-CG1 3.69Å; Q534-V647 CarbonylContact O-C 3.48Å; Q534-V647 WeakPolarHBondContact O-CA 3.39Å; V535-V647 HydrophobicContact CG2-CG2 4.24Å; L564-V647 HydrophobicContact CD2-CB 3.82Å; L564-V647 HydrophobicContact CD2-CG1 3.48Å; L564-V647 VanDerWaalsContact CD2-CG1 3.48Å; L564-V647 HydrophobicContact CD2-CG2 4.39Å; A567-V647 HydrophobicContact CB-CG1 3.81Å; T631-V647 PolarHBondContact N-O 2.89Å; T631-V647 PolarHBondContact O-N 2.92Å; V633-V647 HydrophobicContact CG2-CG2 4Å; L645-V647 PolarHBondContact O-N 2.92Å |
| 648 | R | 88.7 | Confident | 91.1 | Very high | 38 Ų | 38 | 33.8 Ų | 33.8 | 14% | 0.143 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 141.9 | -179.2 | -178.1 | 177 | 171 | -173.9 | -2.8 | 109.7 | Q534 V536 A630 P650 E686 | Q534-R648 PolarHBondContact N-O 2.65Å; Q534-R648 PolarHBondContact O-N 3.15Å; V536-R648 HydrophobicContact CG1-CB 3.9Å; V536-R648 HydrophobicContact CG2-CB 3.91Å; A630-R648 HydrophobicContact CB-CB 4.24Å; R648-P650 WeakPolarHBondContact O-CD 3.27Å; R648-E686 IonicContact CZ-OE1 3Å; R648-E686 IonicContact CZ-OE2 3.23Å; R648-E686 IonicContact NH1-OE1 3.31Å; R648-E686 IonicContact NH1-OE2 3.77Å; R648-E686 PolarHBondContact NH1-OE2 2.91Å; R648-E686 IonicContact NH2-OE1 3.39Å; R648-E686 PolarHBondContact NH2-OE1 3.28Å; R648-E686 IonicContact NH2-OE2 3.85Å; R648-E686 PolarHBondContact NH2-OE2 3.24Å |
| 649 | D | 87.2 | Confident | 91.3 | Very high | 18 Ų | 18 | 29.6 Ų | 29.6 | 10% | 0.096 | 18% | 0.179 | C | C | . | . | trans | -88 | 110.3 | 167 | -170.2 | 9.8 | 0 | 0 | 0 | 107.9 | T529 G531 K532 | T529-D649 WeakPolarHBondContact CB-OD1 3.46Å; T529-D649 WeakPolarHBondContact CB-OD2 3.24Å; T529-D649 HydrophobicContact CG2-CB 4.26Å; T529-D649 VanDerWaalsContact OG1-CG 3.23Å; T529-D649 PolarHBondContact OG1-OD2 3.25Å; G531-D649 WeakPolarHBondContact CA-OD2 3.48Å; G531-D649 PolarHBondContact N-OD1 2.94Å; G531-D649 PolarHBondContact N-OD2 2.91Å; K532-D649 PolarHBondContact N-OD1 3.24Å; K532-D649 VanDerWaalsContact N-OD1 3.1Å | ||
| 650 | P | 87.9 | Confident | 91.6 | Very high | 29 Ų | 29 | 32.1 Ų | 32.1 | 19% | 0.188 | 18% | 0.178 | C | C | . | . | P | Polyproline II helix | trans | -67.1 | 147.1 | -175 | 27.9 | -33.4 | 0 | 0 | 0 | 111 | T529 E530 K532 R648 | T529-P650 CarbonylContact C-O 3.49Å; T529-P650 WeakPolarHBondContact CA-O 3.42Å; T529-P650 VanDerWaalsContact CB-O 3.24Å; T529-P650 WeakPolarHBondContact CB-O 3.33Å; E530-P650 HydrophobicContact CB-CG 4.42Å; E530-P650 HydrophobicContact CG-CG 4.22Å; E530-P650 PolarHBondContact N-O 3.45Å; K532-P650 WeakPolarHBondContact O-CD 3.25Å; R648-P650 WeakPolarHBondContact O-CD 3.27Å |
| 651 | L | 90.2 | Very high | 91.8 | Very high | 19 Ų | 19 | 29 Ų | 29 | 10% | 0.099 | 16% | 0.162 | C | C | . | . | B | Isolated β-bridge | trans | -62.4 | 145.9 | 167.7 | -70.6 | 175.3 | 0 | 0 | 0 | 109.4 | L528 T529 V656 I683 E686 A687 | L528-L651 HydrophobicContact CB-CD2 4.24Å; T529-L651 HydrophobicContact CG2-CD2 4.33Å; L651-V656 HydrophobicContact CD1-CG2 4.28Å; L651-I683 HydrophobicContact CD2-CG2 3.87Å; L651-E686 HydrophobicContact CD1-CB 4.19Å; L651-E686 HydrophobicContact CD1-CG 3.89Å; L651-A687 HydrophobicContact CD1-CB 3.99Å; L651-A687 HydrophobicContact CD2-CB 4.28Å |
| 652 | R | 88.9 | Confident | 91.9 | Very high | 45 Ų | 45 | 28.5 Ų | 28.5 | 17% | 0.17 | 16% | 0.157 | C | C | . | . | P | Polyproline II helix | trans | -58.8 | 147.7 | 170.5 | -54.3 | 174.7 | 168.3 | -80.4 | -7.6 | 109.7 | G526 T527 L528 T529 D654 S655 H755 | G526-R652 PolarHBondContact O-NH2 3.1Å; T527-R652 VanDerWaalsContact O-CD 3.29Å; T527-R652 WeakPolarHBondContact O-CD 3.44Å; T527-R652 PolarHBondContact O-NE 2.8Å; L528-R652 PolarHBondContact O-N 3.08Å; T529-R652 PolarHBondContact O-NE 3.39Å; R652-D654 WeakPolarHBondContact CB-OD1 3.43Å; R652-D654 PolarHBondContact O-N 3Å; R652-S655 VanDerWaalsContact CB-OG 3.3Å; R652-S655 WeakPolarHBondContact CB-OG 3.46Å; R652-S655 PolarHBondContact N-OG 3.02Å; R652-S655 WeakPolarHBondContact O-CB 3.31Å; R652-S655 PolarHBondContact O-N 3.28Å; R652-S655 PolarHBondContact O-OG 2.94Å; R652-H755 PolarHBondContact NH1-O 3.44Å |
| 653 | S | 89.3 | Confident | 91.9 | Very high | 125 Ų | 125 | 32.6 Ų | 32.6 | 87% | 0.874 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -25.6 | -179.4 | 57.8 | 0 | 0 | 0 | 0 | 113.7 | ||
| 654 | D | 91.3 | Very high | 91.9 | Very high | 26 Ų | 26 | 41 Ų | 41 | 14% | 0.139 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -7.5 | -179.7 | 72.7 | -37.6 | 0 | 0 | 0 | 114.6 | R652 V656 A657 A658 S756 L757 M758 | R652-D654 WeakPolarHBondContact CB-OD1 3.43Å; R652-D654 PolarHBondContact O-N 3Å; D654-V656 PolarHBondContact O-N 3.09Å; D654-A657 PolarHBondContact O-N 2.8Å; D654-A658 WeakPolarHBondContact O-CB 3.5Å; D654-A658 PolarHBondContact O-N 3.39Å; D654-S756 WeakPolarHBondContact OD2-CA 3.41Å; D654-S756 VanDerWaalsContact OD2-CB 3.22Å; D654-S756 WeakPolarHBondContact OD2-CB 3.37Å; D654-S756 PolarHBondContact OD2-OG 3.31Å; D654-L757 PolarHBondContact OD2-N 3.24Å; D654-M758 PolarHBondContact OD2-N 2.88Å |
| 655 | S | 92.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -54.1 | -51.2 | -176 | -68.9 | 0 | 0 | 0 | 0 | 112.3 | L528 R652 A657 A658 L659 L757 | L528-S655 PolarHBondContact O-OG 2.89Å; R652-S655 VanDerWaalsContact CB-OG 3.3Å; R652-S655 WeakPolarHBondContact CB-OG 3.46Å; R652-S655 PolarHBondContact N-OG 3.02Å; R652-S655 WeakPolarHBondContact O-CB 3.31Å; R652-S655 PolarHBondContact O-N 3.28Å; R652-S655 PolarHBondContact O-OG 2.94Å; S655-A657 PolarHBondContact O-N 3.12Å; S655-A658 PolarHBondContact O-N 3.36Å; S655-L659 WeakPolarHBondContact O-CB 3.27Å; S655-L659 VanDerWaalsContact O-CG 3.27Å; S655-L659 WeakPolarHBondContact O-CG 3.39Å; S655-L659 PolarHBondContact O-N 3.39Å; S655-L757 WeakPolarHBondContact OG-CD1 3.1Å |
| 656 | V | 93.1 | Very high | 91.9 | Very high | 50 Ų | 50 | 46.1 Ų | 46.1 | 30% | 0.303 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.3 | -43.5 | -177.8 | 179.3 | 0 | 0 | 0 | 0 | 111 | L651 D654 Q660 | L651-V656 HydrophobicContact CD1-CG2 4.28Å; D654-V656 PolarHBondContact O-N 3.09Å; V656-Q660 HydrophobicContact CG1-CG 4.49Å; V656-Q660 WeakPolarHBondContact O-CB 3.44Å; V656-Q660 WeakPolarHBondContact O-CG 3.37Å; V656-Q660 PolarHBondContact O-N 3.42Å |
| 657 | A | 94.2 | Very high | 92 | Very high | 52 Ų | 52 | 46.5 Ų | 46.5 | 43% | 0.43 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67 | -40.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | D654 S655 R661 | D654-A657 PolarHBondContact O-N 2.8Å; S655-A657 PolarHBondContact O-N 3.12Å; A657-R661 WeakPolarHBondContact O-CB 3.46Å; A657-R661 PolarHBondContact O-N 2.93Å |
| 658 | A | 92.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -65 | -46.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | D654 S655 R661 L662 L757 M758 | D654-A658 WeakPolarHBondContact O-CB 3.5Å; D654-A658 PolarHBondContact O-N 3.39Å; S655-A658 PolarHBondContact O-N 3.36Å; A658-R661 WeakPolarHBondContact O-CB 3.48Å; A658-R661 PolarHBondContact O-N 3.45Å; A658-L662 WeakPolarHBondContact O-CG 3.39Å; A658-L662 PolarHBondContact O-N 2.84Å; A658-L757 HydrophobicContact CB-CB 3.67Å; A658-M758 VanDerWaalsContact CA-SD 3.6Å; A658-M758 HydrophobicContact CB-CG 4.21Å; A658-M758 HydrophobicContact CB-SD 3.84Å |
| 659 | L | 95.1 | Very high | 92.7 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 177.8 | -67.7 | 172.9 | 0 | 0 | 0 | 111.5 | F522 L528 S655 R661 L662 H663 L669 A687 I689 | F522-L659 HydrophobicContact CD2-CD2 3.96Å; F522-L659 HydrophobicContact CE1-CD2 4.08Å; F522-L659 HydrophobicContact CE2-CD2 3.46Å; F522-L659 VanDerWaalsContact CE2-CD2 3.46Å; F522-L659 HydrophobicContact CG-CD2 4.47Å; F522-L659 HydrophobicContact CZ-CD2 3.53Å; L528-L659 HydrophobicContact CD2-CD1 3.9Å; L528-L659 HydrophobicContact CD2-CD2 4.28Å; L528-L659 HydrophobicContact CD2-CG 4.43Å; S655-L659 WeakPolarHBondContact O-CB 3.27Å; S655-L659 VanDerWaalsContact O-CG 3.27Å; S655-L659 WeakPolarHBondContact O-CG 3.39Å; S655-L659 PolarHBondContact O-N 3.39Å; L659-R661 VanDerWaalsContact C-N 3.28Å; L659-R661 PolarHBondContact O-N 2.91Å; L659-L662 PolarHBondContact O-N 2.82Å; L659-L662 VanDerWaalsContact O-N 3.12Å; L659-H663 WeakPolarHBondContact O-CB 3.44Å; L659-H663 PolarHBondContact O-N 3.22Å; L659-L669 HydrophobicContact CB-CD1 3.95Å; L659-L669 HydrophobicContact CD2-CD1 3.98Å; L659-L669 HydrophobicContact CD2-CD2 4.5Å; L659-L669 WeakPolarHBondContact O-CD1 3.29Å; L659-A687 HydrophobicContact CD1-CB 3.64Å; L659-A687 VanDerWaalsContact CD1-O 3.27Å; L659-A687 WeakPolarHBondContact CD1-O 3.06Å; L659-I689 HydrophobicContact CD1-CD1 4.08Å; L659-I689 HydrophobicContact CD1-CG1 3.81Å |
| 660 | Q | 94.4 | Very high | 93.1 | Very high | 101 Ų | 101 | 47 Ų | 47 | 47% | 0.472 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -59.1 | -38.8 | 173.6 | -75.9 | 177.1 | 9.1 | 0 | 0 | 112.6 | V656 K664 | V656-Q660 HydrophobicContact CG1-CG 4.49Å; V656-Q660 WeakPolarHBondContact O-CB 3.44Å; V656-Q660 WeakPolarHBondContact O-CG 3.37Å; V656-Q660 PolarHBondContact O-N 3.42Å; Q660-K664 VanDerWaalsContact O-CB 3.32Å; Q660-K664 WeakPolarHBondContact O-CB 3.35Å; Q660-K664 VanDerWaalsContact O-CG 3.25Å; Q660-K664 WeakPolarHBondContact O-CG 3.36Å; Q660-K664 PolarHBondContact O-N 3.36Å |
| 661 | R | 94.2 | Very high | 93.5 | Very high | 81 Ų | 81 | 45.7 Ų | 45.7 | 31% | 0.306 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.2 | -39.9 | 176 | -179.7 | 178.3 | 172.5 | -162.9 | -3.7 | 111.5 | A657 A658 L659 A665 A761 D762 | A657-R661 WeakPolarHBondContact O-CB 3.46Å; A657-R661 PolarHBondContact O-N 2.93Å; A658-R661 WeakPolarHBondContact O-CB 3.48Å; A658-R661 PolarHBondContact O-N 3.45Å; L659-R661 VanDerWaalsContact C-N 3.28Å; L659-R661 PolarHBondContact O-N 2.91Å; R661-A665 WeakPolarHBondContact O-CB 3.25Å; R661-A665 PolarHBondContact O-N 3.34Å; R661-A665 VanDerWaalsContact O-N 3.16Å; R661-A761 HydrophobicContact CG-CB 4.13Å; R661-D762 IonicContact CZ-OD1 3.8Å; R661-D762 VanDerWaalsContact CZ-OD1 3.23Å; R661-D762 IonicContact NH1-OD1 3.55Å; R661-D762 PolarHBondContact NH1-OD1 3.38Å; R661-D762 IonicContact NH2-OD1 3.14Å; R661-D762 PolarHBondContact NH2-OD1 2.95Å |
| 662 | L | 94.8 | Very high | 93.6 | Very high | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.016 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69 | -45.6 | 176.9 | -70 | 171 | 0 | 0 | 0 | 111.9 | F522 A658 L659 K664 A665 G666 Y667 L669 V760 A761 L764 | F522-L662 HydrophobicContact CE2-CD1 4.43Å; F522-L662 HydrophobicContact CZ-CD1 3.62Å; A658-L662 WeakPolarHBondContact O-CG 3.39Å; A658-L662 PolarHBondContact O-N 2.84Å; L659-L662 PolarHBondContact O-N 2.82Å; L659-L662 VanDerWaalsContact O-N 3.12Å; L662-K664 PolarHBondContact O-N 2.96Å; L662-A665 CarbonylContact O-C 3.59Å; L662-A665 WeakPolarHBondContact O-CA 3.43Å; L662-A665 WeakPolarHBondContact O-CB 3.28Å; L662-A665 PolarHBondContact O-N 3.27Å; L662-G666 PolarHBondContact O-N 3.34Å; L662-Y667 HydrophobicContact CB-CD2 4.19Å; L662-Y667 HydrophobicContact CD2-CD2 3.78Å; L662-Y667 HydrophobicContact CD2-CE2 4.03Å; L662-Y667 WeakPolarHBondContact O-CD2 3.12Å; L662-Y667 PolarHBondContact O-N 3.39Å; L662-L669 HydrophobicContact CB-CD2 3.79Å; L662-L669 HydrophobicContact CD1-CD2 4.32Å; L662-V760 HydrophobicContact CD1-CG1 4.17Å; L662-A761 HydrophobicContact CD2-CB 3.88Å; L662-A761 HydrophobicContact CG-CB 4.17Å; L662-L764 HydrophobicContact CD2-CD1 3.76Å |
| 663 | H | 93.3 | Very high | 93.7 | Very high | 94 Ų | 94 | 42.8 Ų | 42.8 | 44% | 0.435 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.8 | -44.6 | 176.9 | -168 | 80.4 | 0 | 0 | 0 | 111.2 | L659 A665 G666 L669 D690 | L659-H663 WeakPolarHBondContact O-CB 3.44Å; L659-H663 PolarHBondContact O-N 3.22Å; H663-A665 PolarHBondContact O-N 3.44Å; H663-G666 PolarHBondContact O-N 2.88Å; H663-L669 HydrophobicContact CB-CD1 3.92Å; H663-D690 IonicContact CE1-OD1 3.74Å; H663-D690 PolarHBondContact CE1-OD1 3.32Å; H663-D690 IonicContact CE1-OD2 2.69Å; H663-D690 IonicContact ND1-OD1 3.41Å; H663-D690 PolarHBondContact ND1-OD1 2.84Å; H663-D690 IonicContact ND1-OD2 3.68Å; H663-D690 PolarHBondContact ND1-OD2 2.96Å |
| 664 | K | 93.5 | Very high | 93.4 | Very high | 177 Ų | 177 | 39.1 Ų | 39.1 | 77% | 0.77 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -60.9 | -26 | 172.3 | -76.5 | 175.1 | -178.4 | 172 | 0 | 113.6 | Q660 L662 G666 | Q660-K664 VanDerWaalsContact O-CB 3.32Å; Q660-K664 WeakPolarHBondContact O-CB 3.35Å; Q660-K664 VanDerWaalsContact O-CG 3.25Å; Q660-K664 WeakPolarHBondContact O-CG 3.36Å; Q660-K664 PolarHBondContact O-N 3.36Å; L662-K664 PolarHBondContact O-N 2.96Å; K664-G666 VanDerWaalsContact C-N 3.26Å |
| 665 | A | 92 | Very high | 93 | Very high | 41 Ų | 41 | 39.9 Ų | 39.9 | 34% | 0.339 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 0.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | R661 L662 H663 Y667 | R661-A665 WeakPolarHBondContact O-CB 3.25Å; R661-A665 PolarHBondContact O-N 3.34Å; R661-A665 VanDerWaalsContact O-N 3.16Å; L662-A665 CarbonylContact O-C 3.59Å; L662-A665 WeakPolarHBondContact O-CA 3.43Å; L662-A665 WeakPolarHBondContact O-CB 3.28Å; L662-A665 PolarHBondContact O-N 3.27Å; H663-A665 PolarHBondContact O-N 3.44Å; A665-Y667 HydrophobicContact CB-CD2 3.99Å; A665-Y667 HydrophobicContact CB-CE2 3.97Å |
| 666 | G | 93.4 | Very high | 92.4 | Very high | 65 Ų | 65 | 43.6 Ų | 43.6 | 67% | 0.67 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 91.5 | 13.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | L662 H663 K664 | L662-G666 PolarHBondContact O-N 3.34Å; H663-G666 PolarHBondContact O-N 2.88Å; K664-G666 VanDerWaalsContact C-N 3.26Å |
| 667 | Y | 95.6 | Very high | 92.1 | Very high | 8 Ų | 8 | 44.7 Ų | 44.7 | 3% | 0.031 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -82.6 | 139.3 | 177.7 | -65.8 | -70.6 | 0 | 0 | 0 | 111.7 | L517 D518 V520 L662 A665 L764 R768 | L517-Y667 HydrophobicContact CB-CE1 4.41Å; L517-Y667 VanDerWaalsContact O-CE1 3.3Å; L517-Y667 WeakPolarHBondContact O-CE1 3.23Å; D518-Y667 WeakPolarHBondContact O-CA 3.43Å; V520-Y667 HydrophobicContact CG2-CD1 4.07Å; V520-Y667 HydrophobicContact CG2-CG 4.14Å; L662-Y667 HydrophobicContact CB-CD2 4.19Å; L662-Y667 HydrophobicContact CD2-CD2 3.78Å; L662-Y667 HydrophobicContact CD2-CE2 4.03Å; L662-Y667 WeakPolarHBondContact O-CD2 3.12Å; L662-Y667 PolarHBondContact O-N 3.39Å; A665-Y667 HydrophobicContact CB-CD2 3.99Å; A665-Y667 HydrophobicContact CB-CE2 3.97Å; Y667-L764 HydrophobicContact CD2-CD1 4.31Å; Y667-L764 HydrophobicContact CE1-CD1 4.08Å; Y667-L764 HydrophobicContact CE2-CB 4.34Å; Y667-L764 HydrophobicContact CE2-CD1 3.77Å; Y667-R768 PolarHBondContact OH-NE 3.21Å; Y667-R768 VanDerWaalsContact OH-NE 3.11Å; Y667-R768 PolarHBondContact OH-NH2 2.81Å |
| 668 | R | 95.7 | Very high | 91.6 | Very high | 69 Ų | 69 | 46.2 Ų | 46.2 | 26% | 0.26 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 123.8 | 165.8 | -176.9 | -177.3 | -175.2 | 177.1 | 5.2 | 108.8 | D518 T519 V520 V670 E691 | D518-R668 PolarHBondContact O-N 3.47Å; T519-R668 WeakPolarHBondContact CA-O 3.35Å; T519-R668 HydrophobicContact CG2-CB 4.41Å; V520-R668 PolarHBondContact N-O 3.14Å; R668-V670 HydrophobicContact CG-CG2 4.38Å; R668-E691 IonicContact CZ-OE2 2.69Å; R668-E691 IonicContact NE-OE2 2.97Å; R668-E691 PolarHBondContact NE-OE2 2.87Å; R668-E691 VanDerWaalsContact NE-OE2 3.14Å; R668-E691 IonicContact NH2-OE1 2.59Å; R668-E691 IonicContact NH2-OE2 3.87Å; R668-E691 PolarHBondContact NH2-OE2 2.87Å |
| 669 | L | 96.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 125.2 | -178.1 | -51.5 | 178.8 | 0 | 0 | 0 | 109.6 | V520 F522 L659 L662 H663 I689 D690 E691 | V520-L669 HydrophobicContact CB-CD2 4.35Å; F522-L669 HydrophobicContact CE2-CD2 3.97Å; L659-L669 HydrophobicContact CB-CD1 3.95Å; L659-L669 HydrophobicContact CD2-CD1 3.98Å; L659-L669 HydrophobicContact CD2-CD2 4.5Å; L659-L669 WeakPolarHBondContact O-CD1 3.29Å; L662-L669 HydrophobicContact CB-CD2 3.79Å; L662-L669 HydrophobicContact CD1-CD2 4.32Å; H663-L669 HydrophobicContact CB-CD1 3.92Å; L669-I689 HydrophobicContact CB-CG2 4.18Å; L669-I689 VanDerWaalsContact O-CG2 3.24Å; L669-I689 WeakPolarHBondContact O-CG2 3.17Å; L669-D690 PolarHBondContact N-OD2 3.42Å; L669-D690 WeakPolarHBondContact O-CB 2.99Å; L669-D690 PolarHBondContact O-N 3.46Å; L669-E691 PolarHBondContact O-N 3.43Å |
| 670 | V | 96.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 135.8 | 179.4 | -176.1 | 0 | 0 | 0 | 0 | 108.9 | T519 V520 V521 F522 R668 E691 I693 | T519-V670 HydrophobicContact CG2-CG2 3.77Å; V520-V670 PolarHBondContact O-N 3.45Å; V521-V670 CarbonylContact C-O 3.46Å; V521-V670 VanDerWaalsContact CA-O 3.26Å; V521-V670 WeakPolarHBondContact CA-O 3.42Å; V521-V670 HydrophobicContact CG2-CB 4.03Å; V521-V670 HydrophobicContact CG2-CG1 4.45Å; F522-V670 PolarHBondContact N-O 3.44Å; R668-V670 HydrophobicContact CG-CG2 4.38Å; V670-E691 CarbonylContact C-O 3.59Å; V670-E691 WeakPolarHBondContact CA-O 3.25Å; V670-E691 HydrophobicContact CG1-CB 4.42Å; V670-E691 HydrophobicContact CG1-CG 4.37Å; V670-E691 HydrophobicContact CG2-CB 4.25Å; V670-I693 HydrophobicContact CG1-CD1 3.83Å; V670-I693 HydrophobicContact CG1-CG1 3.95Å |
| 671 | M | 95.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 128.3 | 170.1 | -168.8 | 176.8 | 67.4 | 0 | 0 | 109.8 | K524 L528 T673 A680 I683 A684 I689 E691 V692 I693 | K524-M671 HydrophobicContact CB-CG 4.48Å; K524-M671 HydrophobicContact CB-SD 4.25Å; K524-M671 HydrophobicContact CG-SD 4.18Å; L528-M671 HydrophobicContact CD1-CG 3.88Å; L528-M671 HydrophobicContact CD1-SD 3.88Å; M671-T673 HydrophobicContact CE-CG2 4.1Å; M671-A680 HydrophobicContact CE-CB 3.64Å; M671-A680 WeakPolarHBondContact CE-O 3.45Å; M671-I683 HydrophobicContact SD-CG2 4.27Å; M671-A684 HydrophobicContact CE-CB 4.12Å; M671-I689 HydrophobicContact CB-CD1 3.86Å; M671-I689 HydrophobicContact CB-CG2 4.08Å; M671-I689 HydrophobicContact CG-CD1 4.29Å; M671-I689 HydrophobicContact SD-CD1 4.28Å; M671-E691 PolarHBondContact N-O 2.88Å; M671-V692 HydrophobicContact CE-CG1 3.74Å; M671-V692 HydrophobicContact CE-CG2 4.1Å; M671-I693 PolarHBondContact O-N 3.11Å |
| 672 | L | 93.6 | Very high | 90.1 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 121.5 | 176 | -178.8 | 63.2 | 0 | 0 | 0 | 109 | V521 F522 I693 V696 K701 A704 I705 M717 | V521-L672 HydrophobicContact CG1-CB 3.58Å; V521-L672 HydrophobicContact CG1-CD2 4.2Å; F522-L672 PolarHBondContact O-N 3.05Å; L672-I693 WeakPolarHBondContact CA-O 3.26Å; L672-I693 HydrophobicContact CD1-CB 3.79Å; L672-I693 HydrophobicContact CD1-CG2 3.75Å; L672-V696 HydrophobicContact CD1-CB 4.15Å; L672-V696 HydrophobicContact CD1-CG1 4.24Å; L672-V696 HydrophobicContact CD1-CG2 3.78Å; L672-K701 HydrophobicContact CD2-CB 3.84Å; L672-K701 HydrophobicContact CD2-CD 4.31Å; L672-K701 HydrophobicContact CD2-CG 4.01Å; L672-K701 HydrophobicContact CG-CG 4.27Å; L672-A704 HydrophobicContact CD1-CB 3.73Å; L672-A704 HydrophobicContact CD2-CB 4.36Å; L672-I705 HydrophobicContact CD2-CD1 4.36Å; L672-M717 HydrophobicContact CD2-CE 4.49Å; L672-M717 HydrophobicContact CD2-SD 4.45Å |
| 673 | T | 90.4 | Very high | 89.8 | Confident | 3 Ų | 3 | 42.8 Ų | 42.8 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | trans | -151.5 | 152.1 | -175.5 | -168.7 | 0 | 0 | 0 | 0 | 113.3 | K524 M671 D675 A680 I693 A694 G695 V696 | K524-T673 WeakPolarHBondContact CE-OG1 3.37Å; M671-T673 HydrophobicContact CE-CG2 4.1Å; T673-D675 VanDerWaalsContact C-N 3.29Å; T673-D675 HydrophobicContact CG2-CB 3.93Å; T673-D675 PolarHBondContact OG1-N 3.23Å; T673-A680 HydrophobicContact CG2-CB 3.66Å; T673-I693 PolarHBondContact N-O 3.35Å; T673-A694 HydrophobicContact CG2-CB 4.24Å; T673-A694 CarbonylContact O-C 3.56Å; T673-A694 WeakPolarHBondContact O-CA 3.37Å; T673-G695 PolarHBondContact O-N 3.19Å; T673-G695 VanDerWaalsContact O-N 3.07Å; T673-V696 PolarHBondContact O-N 3.45Å; T673-V696 VanDerWaalsContact O-N 3.12Å | ||
| 674 | G | 83.4 | Confident | 89.7 | Confident | 47 Ų | 47 | 38.4 Ų | 38.4 | 49% | 0.485 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -80 | -9.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | V696 | G674-V696 VanDerWaalsContact CA-O 3.23Å; G674-V696 WeakPolarHBondContact CA-O 3.23Å |
| 675 | D | 82.2 | Confident | 89.5 | Confident | 43 Ų | 43 | 38.8 Ų | 38.8 | 23% | 0.23 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -64.5 | 162 | 179.7 | -94.5 | 39.8 | 0 | 0 | 0 | 113.2 | K524 T673 T679 G695 | K524-D675 IonicContact NZ-OD1 3.94Å; K524-D675 PolarHBondContact NZ-OD1 3.35Å; K524-D675 IonicContact NZ-OD2 3.68Å; K524-D675 PolarHBondContact NZ-OD2 2.88Å; T673-D675 VanDerWaalsContact C-N 3.29Å; T673-D675 HydrophobicContact CG2-CB 3.93Å; T673-D675 PolarHBondContact OG1-N 3.23Å; D675-T679 WeakPolarHBondContact OD2-CG2 3.28Å; D675-G695 PolarHBondContact O-N 2.92Å |
| 676 | N | 79.9 | Confident | 89.4 | Confident | 77 Ų | 77 | 41.4 Ų | 41.4 | 41% | 0.412 | 24% | 0.24 | S | C | . | . | trans | -63.6 | 149.2 | 174.3 | 75.4 | 73.7 | 0 | 0 | 0 | 111.2 | T678 T679 A680 | N676-T678 VanDerWaalsContact C-N 3.28Å; N676-T678 PolarHBondContact O-N 2.83Å; N676-T678 WeakPolarHBondContact OD1-CB 3.32Å; N676-T678 PolarHBondContact OD1-N 3.36Å; N676-T679 PolarHBondContact ND2-OG1 3.11Å; N676-T679 PolarHBondContact O-N 3.5Å; N676-T679 PolarHBondContact OD1-N 2.96Å; N676-T679 PolarHBondContact OD1-OG1 3.42Å; N676-A680 WeakPolarHBondContact O-CB 3.41Å; N676-A680 PolarHBondContact O-N 3.17Å | ||
| 677 | P | 85.7 | Confident | 89.2 | Confident | 73 Ų | 73 | 38.3 Ų | 38.3 | 47% | 0.474 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -58.1 | -33.3 | -177.8 | -27.4 | 34.6 | 0 | 0 | 0 | 114.9 | N681 A694 | P677-N681 WeakPolarHBondContact O-CB 3.09Å; P677-N681 PolarHBondContact O-N 3.37Å; P677-N681 PolarHBondContact O-ND2 2.88Å; P677-A694 HydrophobicContact CB-CB 4.23Å; P677-A694 HydrophobicContact CG-CB 4.11Å |
| 678 | T | 84.7 | Confident | 89 | Confident | 84 Ų | 84 | 39.8 Ų | 39.8 | 52% | 0.515 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -66.1 | -51.3 | -178.1 | -51.8 | 0 | 0 | 0 | 0 | 111.1 | N676 A682 | N676-T678 VanDerWaalsContact C-N 3.28Å; N676-T678 PolarHBondContact O-N 2.83Å; N676-T678 WeakPolarHBondContact OD1-CB 3.32Å; N676-T678 PolarHBondContact OD1-N 3.36Å; T678-A682 PolarHBondContact O-N 2.8Å |
| 679 | T | 81.3 | Confident | 88.8 | Confident | 4 Ų | 4 | 37.4 Ų | 37.4 | 3% | 0.025 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.3 | -43.7 | 177.2 | -60.2 | 0 | 0 | 0 | 0 | 111 | D675 N676 A682 I683 | D675-T679 WeakPolarHBondContact OD2-CG2 3.28Å; N676-T679 PolarHBondContact ND2-OG1 3.11Å; N676-T679 PolarHBondContact O-N 3.5Å; N676-T679 PolarHBondContact OD1-N 2.96Å; N676-T679 PolarHBondContact OD1-OG1 3.42Å; T679-A682 PolarHBondContact O-N 3.36Å; T679-I683 HydrophobicContact CG2-CD1 4.09Å; T679-I683 WeakPolarHBondContact O-CG1 3.11Å; T679-I683 PolarHBondContact O-N 2.86Å; T679-I683 VanDerWaalsContact O-N 3.13Å |
| 680 | A | 86.7 | Confident | 88.6 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.1 | -45.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | M671 T673 N676 A682 I683 A684 V692 A694 | M671-A680 HydrophobicContact CE-CB 3.64Å; M671-A680 WeakPolarHBondContact CE-O 3.45Å; T673-A680 HydrophobicContact CG2-CB 3.66Å; N676-A680 WeakPolarHBondContact O-CB 3.41Å; N676-A680 PolarHBondContact O-N 3.17Å; A680-A682 VanDerWaalsContact C-N 3.31Å; A680-A682 PolarHBondContact O-N 2.86Å; A680-I683 PolarHBondContact O-N 3.44Å; A680-A684 WeakPolarHBondContact O-CB 3.43Å; A680-A684 PolarHBondContact O-N 3.32Å; A680-V692 HydrophobicContact CB-CG1 3.62Å; A680-A694 HydrophobicContact CB-CB 3.77Å |
| 681 | N | 90 | Very high | 88.5 | Confident | 90 Ų | 90 | 43.9 Ų | 43.9 | 48% | 0.481 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.9 | -34.4 | 177.4 | -78.4 | -57.8 | 0 | 0 | 0 | 112.9 | P677 K685 | P677-N681 WeakPolarHBondContact O-CB 3.09Å; P677-N681 PolarHBondContact O-N 3.37Å; P677-N681 PolarHBondContact O-ND2 2.88Å; N681-K685 WeakPolarHBondContact O-CB 3.29Å; N681-K685 PolarHBondContact O-N 2.92Å |
| 682 | A | 87.1 | Confident | 88.4 | Confident | 18 Ų | 18 | 45.5 Ų | 45.5 | 15% | 0.149 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.7 | -47.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | S627 T678 T679 A680 K685 E686 | S627-A682 WeakPolarHBondContact O-CB 3.33Å; T678-A682 PolarHBondContact O-N 2.8Å; T679-A682 PolarHBondContact O-N 3.36Å; A680-A682 VanDerWaalsContact C-N 3.31Å; A680-A682 PolarHBondContact O-N 2.86Å; A682-K685 PolarHBondContact O-N 2.82Å; A682-E686 PolarHBondContact O-N 3.4Å |
| 683 | I | 87.8 | Confident | 88.4 | Confident | 4 Ų | 4 | 46.1 Ų | 46.1 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.8 | -43.7 | 178.2 | -65.6 | 172.5 | 0 | 0 | 0 | 110.9 | K524 L651 M671 T679 A680 K685 E686 A687 | K524-I683 HydrophobicContact CD-CD1 3.79Å; L651-I683 HydrophobicContact CD2-CG2 3.87Å; M671-I683 HydrophobicContact SD-CG2 4.27Å; T679-I683 HydrophobicContact CG2-CD1 4.09Å; T679-I683 WeakPolarHBondContact O-CG1 3.11Å; T679-I683 PolarHBondContact O-N 2.86Å; T679-I683 VanDerWaalsContact O-N 3.13Å; A680-I683 PolarHBondContact O-N 3.44Å; I683-K685 VanDerWaalsContact C-N 3.32Å; I683-K685 PolarHBondContact O-N 3.23Å; I683-E686 PolarHBondContact O-N 3.46Å; I683-A687 VanDerWaalsContact O-CB 3.29Å; I683-A687 WeakPolarHBondContact O-CB 3.47Å; I683-A687 PolarHBondContact O-N 3.46Å |
| 684 | A | 90.9 | Very high | 88.4 | Confident | 3 Ų | 3 | 47.3 Ų | 47.3 | 3% | 0.025 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.4 | -40.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | M671 A680 A687 G688 I689 V692 | M671-A684 HydrophobicContact CE-CB 4.12Å; A680-A684 WeakPolarHBondContact O-CB 3.43Å; A680-A684 PolarHBondContact O-N 3.32Å; A684-A687 PolarHBondContact O-N 3.26Å; A684-G688 PolarHBondContact O-N 3.02Å; A684-I689 HydrophobicContact CB-CB 4.05Å; A684-I689 PolarHBondContact O-N 3.21Å; A684-V692 HydrophobicContact CB-CG2 3.2Å |
| 685 | K | 90.1 | Very high | 88.4 | Confident | 185 Ų | 185 | 47.5 Ų | 47.5 | 80% | 0.804 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -64.7 | -39.5 | 176.7 | -174.7 | -179.8 | 178.6 | -176.4 | 0 | 112.2 | N681 A682 I683 | N681-K685 WeakPolarHBondContact O-CB 3.29Å; N681-K685 PolarHBondContact O-N 2.92Å; A682-K685 PolarHBondContact O-N 2.82Å; I683-K685 VanDerWaalsContact C-N 3.32Å; I683-K685 PolarHBondContact O-N 3.23Å |
| 686 | E | 88.9 | Confident | 88.5 | Confident | 95 Ų | 95 | 46.5 Ų | 46.5 | 44% | 0.444 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -69.7 | -39.6 | 176.2 | -171.3 | 177.2 | 134.6 | 0 | 0 | 112.1 | R648 L651 A682 I683 G688 | R648-E686 IonicContact CZ-OE1 3Å; R648-E686 IonicContact CZ-OE2 3.23Å; R648-E686 IonicContact NH1-OE1 3.31Å; R648-E686 IonicContact NH1-OE2 3.77Å; R648-E686 PolarHBondContact NH1-OE2 2.91Å; R648-E686 IonicContact NH2-OE1 3.39Å; R648-E686 PolarHBondContact NH2-OE1 3.28Å; R648-E686 IonicContact NH2-OE2 3.85Å; R648-E686 PolarHBondContact NH2-OE2 3.24Å; L651-E686 HydrophobicContact CD1-CB 4.19Å; L651-E686 HydrophobicContact CD1-CG 3.89Å; A682-E686 PolarHBondContact O-N 3.4Å; I683-E686 PolarHBondContact O-N 3.46Å; E686-G688 VanDerWaalsContact C-N 3.35Å |
| 687 | A | 89.8 | Confident | 88.4 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -74.5 | -22.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L651 L659 I683 A684 I689 | L651-A687 HydrophobicContact CD1-CB 3.99Å; L651-A687 HydrophobicContact CD2-CB 4.28Å; L659-A687 HydrophobicContact CD1-CB 3.64Å; L659-A687 VanDerWaalsContact CD1-O 3.27Å; L659-A687 WeakPolarHBondContact CD1-O 3.06Å; I683-A687 VanDerWaalsContact O-CB 3.29Å; I683-A687 WeakPolarHBondContact O-CB 3.47Å; I683-A687 PolarHBondContact O-N 3.46Å; A684-A687 PolarHBondContact O-N 3.26Å; A687-I689 HydrophobicContact CB-CD1 3.97Å; A687-I689 HydrophobicContact CB-CG1 3.98Å |
| 688 | G | 90.7 | Very high | 87.6 | Confident | 40 Ų | 40 | 48.5 Ų | 48.5 | 41% | 0.412 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | 40.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | A684 E686 | A684-G688 PolarHBondContact O-N 3.02Å; E686-G688 VanDerWaalsContact C-N 3.35Å |
| 689 | I | 93.5 | Very high | 86.8 | Confident | 19 Ų | 19 | 51.5 Ų | 51.5 | 10% | 0.097 | 29% | 0.294 | C | S | . | . | trans | -95.2 | 141.6 | -179.1 | -61.3 | 177.9 | 0 | 0 | 0 | 110.2 | L528 L659 L669 M671 A684 A687 E691 | L528-I689 HydrophobicContact CD1-CD1 3.49Å; L528-I689 VanDerWaalsContact CD1-CD1 3.49Å; L659-I689 HydrophobicContact CD1-CD1 4.08Å; L659-I689 HydrophobicContact CD1-CG1 3.81Å; L669-I689 HydrophobicContact CB-CG2 4.18Å; L669-I689 VanDerWaalsContact O-CG2 3.24Å; L669-I689 WeakPolarHBondContact O-CG2 3.17Å; M671-I689 HydrophobicContact CB-CD1 3.86Å; M671-I689 HydrophobicContact CB-CG2 4.08Å; M671-I689 HydrophobicContact CG-CD1 4.29Å; M671-I689 HydrophobicContact SD-CD1 4.28Å; A684-I689 HydrophobicContact CB-CB 4.05Å; A684-I689 PolarHBondContact O-N 3.21Å; A687-I689 HydrophobicContact CB-CD1 3.97Å; A687-I689 HydrophobicContact CB-CG1 3.98Å; I689-E691 VanDerWaalsContact CG2-O 3.3Å; I689-E691 WeakPolarHBondContact CG2-O 3.27Å | ||
| 690 | D | 91.2 | Very high | 86.8 | Confident | 82 Ų | 82 | 52.6 Ų | 52.6 | 44% | 0.439 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -78 | -35 | -173.7 | -57 | -57.4 | 0 | 0 | 0 | 113.1 | H663 L669 | H663-D690 IonicContact CE1-OD1 3.74Å; H663-D690 PolarHBondContact CE1-OD1 3.32Å; H663-D690 IonicContact CE1-OD2 2.69Å; H663-D690 IonicContact ND1-OD1 3.41Å; H663-D690 PolarHBondContact ND1-OD1 2.84Å; H663-D690 IonicContact ND1-OD2 3.68Å; H663-D690 PolarHBondContact ND1-OD2 2.96Å; L669-D690 PolarHBondContact N-OD2 3.42Å; L669-D690 WeakPolarHBondContact O-CB 2.99Å; L669-D690 PolarHBondContact O-N 3.46Å |
| 691 | E | 94.1 | Very high | 86.8 | Confident | 54 Ų | 54 | 53.4 Ų | 53.4 | 25% | 0.252 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 148.1 | -172.9 | -179.3 | 178 | -177.4 | 0 | 0 | 112.6 | R668 L669 V670 M671 I689 | R668-E691 IonicContact CZ-OE2 2.69Å; R668-E691 IonicContact NE-OE2 2.97Å; R668-E691 PolarHBondContact NE-OE2 2.87Å; R668-E691 VanDerWaalsContact NE-OE2 3.14Å; R668-E691 IonicContact NH2-OE1 2.59Å; R668-E691 IonicContact NH2-OE2 3.87Å; R668-E691 PolarHBondContact NH2-OE2 2.87Å; L669-E691 PolarHBondContact O-N 3.43Å; V670-E691 CarbonylContact C-O 3.59Å; V670-E691 WeakPolarHBondContact CA-O 3.25Å; V670-E691 HydrophobicContact CG1-CB 4.42Å; V670-E691 HydrophobicContact CG1-CG 4.37Å; V670-E691 HydrophobicContact CG2-CB 4.25Å; M671-E691 PolarHBondContact N-O 2.88Å; I689-E691 VanDerWaalsContact CG2-O 3.3Å; I689-E691 WeakPolarHBondContact CG2-O 3.27Å |
| 692 | V | 94.7 | Very high | 86.7 | Confident | 33 Ų | 33 | 50 Ų | 50 | 20% | 0.2 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 127.5 | 179.7 | -178.4 | 0 | 0 | 0 | 0 | 110.8 | M671 A680 A684 A694 | M671-V692 HydrophobicContact CE-CG1 3.74Å; M671-V692 HydrophobicContact CE-CG2 4.1Å; A680-V692 HydrophobicContact CB-CG1 3.62Å; A684-V692 HydrophobicContact CB-CG2 3.2Å; V692-A694 HydrophobicContact CG1-CB 4Å |
| 693 | I | 93.5 | Very high | 86.8 | Confident | 14 Ų | 14 | 54.3 Ų | 54.3 | 7% | 0.072 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 96.1 | 169.2 | -50.9 | 174.9 | 0 | 0 | 0 | 107.2 | V670 M671 L672 T673 V696 A704 L708 | V670-I693 HydrophobicContact CG1-CD1 3.83Å; V670-I693 HydrophobicContact CG1-CG1 3.95Å; M671-I693 PolarHBondContact O-N 3.11Å; L672-I693 WeakPolarHBondContact CA-O 3.26Å; L672-I693 HydrophobicContact CD1-CB 3.79Å; L672-I693 HydrophobicContact CD1-CG2 3.75Å; T673-I693 PolarHBondContact N-O 3.35Å; I693-V696 HydrophobicContact CG2-CG2 3.64Å; I693-A704 HydrophobicContact CD1-CB 4.39Å; I693-A704 HydrophobicContact CG2-CB 4.34Å; I693-L708 HydrophobicContact CD1-CD1 4.21Å |
| 694 | A | 90.2 | Very high | 87 | Confident | 28 Ų | 28 | 54.4 Ų | 54.4 | 23% | 0.231 | 31% | 0.313 | C | S | . | . | trans | -104.3 | 164.4 | -175 | 0 | 0 | 0 | 0 | 0 | 112.6 | T673 P677 A680 V692 V696 | T673-A694 HydrophobicContact CG2-CB 4.24Å; T673-A694 CarbonylContact O-C 3.56Å; T673-A694 WeakPolarHBondContact O-CA 3.37Å; P677-A694 HydrophobicContact CB-CB 4.23Å; P677-A694 HydrophobicContact CG-CB 4.11Å; A680-A694 HydrophobicContact CB-CB 3.77Å; V692-A694 HydrophobicContact CG1-CB 4Å; A694-V696 VanDerWaalsContact C-N 3.31Å; A694-V696 PolarHBondContact O-N 3.39Å | ||
| 695 | G | 83.5 | Confident | 87.1 | Confident | 52 Ų | 52 | 54.3 Ų | 54.3 | 54% | 0.536 | 31% | 0.312 | S | S | . | . | S | Bend | trans | 70.1 | 23.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114.5 | T673 D675 | T673-G695 PolarHBondContact O-N 3.19Å; T673-G695 VanDerWaalsContact O-N 3.07Å; D675-G695 PolarHBondContact O-N 2.92Å |
| 696 | V | 84.9 | Confident | 87.1 | Confident | 22 Ų | 22 | 48 Ų | 48 | 13% | 0.133 | 29% | 0.285 | C | S | . | . | trans | -89.2 | 122.3 | -176.2 | -174.9 | 0 | 0 | 0 | 0 | 110.8 | L672 T673 G674 I693 A694 G700 K701 | L672-V696 HydrophobicContact CD1-CB 4.15Å; L672-V696 HydrophobicContact CD1-CG1 4.24Å; L672-V696 HydrophobicContact CD1-CG2 3.78Å; T673-V696 PolarHBondContact O-N 3.45Å; T673-V696 VanDerWaalsContact O-N 3.12Å; G674-V696 VanDerWaalsContact CA-O 3.23Å; G674-V696 WeakPolarHBondContact CA-O 3.23Å; I693-V696 HydrophobicContact CG2-CG2 3.64Å; A694-V696 VanDerWaalsContact C-N 3.31Å; A694-V696 PolarHBondContact O-N 3.39Å; V696-G700 WeakPolarHBondContact CG1-O 3.45Å; V696-K701 HydrophobicContact CG1-CB 4.5Å; V696-K701 HydrophobicContact CG1-CG 3.98Å | ||
| 697 | L | 76.6 | Confident | 87.4 | Confident | 133 Ų | 133 | 49.3 Ų | 49.3 | 70% | 0.696 | 29% | 0.285 | S | S | * | . | trans | -66.4 | 156.5 | 170.4 | -65.6 | 174.8 | 0 | 0 | 0 | 110.6 | D699 G700 K701 | L697-D699 VanDerWaalsContact C-N 3.31Å; L697-D699 PolarHBondContact O-N 2.94Å; L697-G700 WeakPolarHBondContact O-CA 3.49Å; L697-G700 PolarHBondContact O-N 2.7Å; L697-K701 PolarHBondContact O-N 3.44Å | ||
| 698 | P | 68.3 | Low | 87.5 | Confident | 58 Ų | 58 | 49.3 Ų | 49.3 | 38% | 0.377 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -48.2 | -47.7 | 179.9 | -29.8 | 36.2 | 0 | 0 | 0 | 114.1 | G700 K701 N723 | P698-G700 PolarHBondContact O-N 2.62Å; P698-K701 PolarHBondContact O-N 3.44Å; P698-N723 HydrophobicContact CB-CB 4.37Å |
| 699 | D | 69.2 | Low | 87.7 | Confident | 147 Ų | 147 | 49.5 Ų | 49.5 | 79% | 0.786 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -65.2 | -26.9 | 178.3 | -54.9 | -31.4 | 0 | 0 | 0 | 113 | L697 K701 | L697-D699 VanDerWaalsContact C-N 3.31Å; L697-D699 PolarHBondContact O-N 2.94Å; D699-K701 VanDerWaalsContact C-N 3.34Å |
| 700 | G | 81.8 | Confident | 87.7 | Confident | 27 Ų | 27 | 53.2 Ų | 53.2 | 28% | 0.278 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -78.7 | -13.4 | 179 | 0 | 0 | 0 | 0 | 0 | 114.1 | V696 L697 P698 E703 A704 | V696-G700 WeakPolarHBondContact CG1-O 3.45Å; L697-G700 WeakPolarHBondContact O-CA 3.49Å; L697-G700 PolarHBondContact O-N 2.7Å; P698-G700 PolarHBondContact O-N 2.62Å; G700-E703 PolarHBondContact O-N 2.88Å; G700-A704 PolarHBondContact O-N 2.97Å |
| 701 | K | 86.8 | Confident | 87.8 | Confident | 17 Ų | 17 | 54.3 Ų | 54.3 | 7% | 0.074 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65 | -42.8 | -179.3 | -69.2 | -165.3 | -175.8 | -171.7 | 0 | 111.5 | D523 L672 V696 L697 P698 D699 E703 A704 I705 D724 A727 | D523-K701 IonicContact OD1-NZ 2.6Å; D523-K701 PolarHBondContact OD1-NZ 3.45Å; L672-K701 HydrophobicContact CD2-CB 3.84Å; L672-K701 HydrophobicContact CD2-CD 4.31Å; L672-K701 HydrophobicContact CD2-CG 4.01Å; L672-K701 HydrophobicContact CG-CG 4.27Å; V696-K701 HydrophobicContact CG1-CB 4.5Å; V696-K701 HydrophobicContact CG1-CG 3.98Å; L697-K701 PolarHBondContact O-N 3.44Å; P698-K701 PolarHBondContact O-N 3.44Å; D699-K701 VanDerWaalsContact C-N 3.34Å; K701-E703 PolarHBondContact O-N 3.43Å; K701-A704 WeakPolarHBondContact O-CB 3.4Å; K701-A704 PolarHBondContact O-N 2.89Å; K701-I705 PolarHBondContact O-N 3.45Å; K701-D724 IonicContact NZ-OD1 3.31Å; K701-D724 PolarHBondContact NZ-OD1 3.17Å; K701-A727 HydrophobicContact CB-CB 3.9Å |
| 702 | A | 87 | Confident | 87.7 | Confident | 19 Ų | 19 | 54.8 Ų | 54.8 | 16% | 0.157 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.6 | -40.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A704 I705 K706 P726 Q730 | A702-A704 VanDerWaalsContact C-N 3.3Å; A702-A704 PolarHBondContact O-N 3.38Å; A702-I705 WeakPolarHBondContact O-CB 3.41Å; A702-I705 PolarHBondContact O-N 3.33Å; A702-K706 WeakPolarHBondContact O-CB 3.43Å; A702-K706 PolarHBondContact O-N 2.99Å; A702-P726 HydrophobicContact CB-CB 4.22Å; A702-Q730 HydrophobicContact CB-CB 4.3Å |
| 703 | E | 89.5 | Confident | 87.6 | Confident | 109 Ų | 109 | 57.7 Ų | 57.7 | 51% | 0.509 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -65.5 | -33.8 | 177.4 | -169 | 60.9 | -160.8 | 0 | 0 | 112.1 | G700 K701 K706 R707 | G700-E703 PolarHBondContact O-N 2.88Å; K701-E703 PolarHBondContact O-N 3.43Å; E703-K706 PolarHBondContact O-N 3.02Å; E703-K706 WeakPolarHBondContact OE2-CD 3.42Å; E703-K706 IonicContact OE2-NZ 3Å; E703-R707 WeakPolarHBondContact O-CB 3.5Å; E703-R707 PolarHBondContact O-N 3.27Å |
| 704 | A | 91.3 | Very high | 87.7 | Confident | 6 Ų | 6 | 60.5 Ų | 60.5 | 5% | 0.05 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.5 | -41.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112.3 | L672 I693 G700 K701 A702 R707 L708 | L672-A704 HydrophobicContact CD1-CB 3.73Å; L672-A704 HydrophobicContact CD2-CB 4.36Å; I693-A704 HydrophobicContact CD1-CB 4.39Å; I693-A704 HydrophobicContact CG2-CB 4.34Å; G700-A704 PolarHBondContact O-N 2.97Å; K701-A704 WeakPolarHBondContact O-CB 3.4Å; K701-A704 PolarHBondContact O-N 2.89Å; A702-A704 VanDerWaalsContact C-N 3.3Å; A702-A704 PolarHBondContact O-N 3.38Å; A704-R707 PolarHBondContact O-N 3.09Å; A704-L708 PolarHBondContact O-N 3.23Å |
| 705 | I | 92.4 | Very high | 88 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.4 | -47.1 | 174.3 | -61.3 | -58.1 | 0 | 0 | 0 | 110.6 | V521 L672 K701 A702 R707 L708 Q709 V715 M717 A727 Q730 A731 | V521-I705 HydrophobicContact CB-CD1 3.94Å; V521-I705 HydrophobicContact CG1-CD1 3.88Å; V521-I705 HydrophobicContact CG2-CD1 3.83Å; L672-I705 HydrophobicContact CD2-CD1 4.36Å; K701-I705 PolarHBondContact O-N 3.45Å; A702-I705 WeakPolarHBondContact O-CB 3.41Å; A702-I705 PolarHBondContact O-N 3.33Å; I705-R707 VanDerWaalsContact C-N 3.3Å; I705-R707 PolarHBondContact O-N 2.77Å; I705-L708 WeakPolarHBondContact O-CB 3.22Å; I705-L708 PolarHBondContact O-N 3.41Å; I705-L708 VanDerWaalsContact O-N 3.13Å; I705-Q709 HydrophobicContact CG2-CG 4.49Å; I705-Q709 WeakPolarHBondContact O-CG 3.18Å; I705-Q709 PolarHBondContact O-N 3.37Å; I705-V715 HydrophobicContact CD1-CG1 4.06Å; I705-V715 HydrophobicContact CG2-CG1 4.18Å; I705-M717 HydrophobicContact CD1-CB 4.25Å; I705-M717 HydrophobicContact CD1-SD 4.12Å; I705-A727 HydrophobicContact CG1-CB 4.05Å; I705-Q730 HydrophobicContact CB-CB 4.49Å; I705-Q730 HydrophobicContact CB-CG 4.11Å; I705-Q730 HydrophobicContact CG2-CB 4.29Å; I705-Q730 HydrophobicContact CG2-CG 3.94Å; I705-A731 HydrophobicContact CG2-CB 4.09Å |
| 706 | K | 91.3 | Very high | 88.6 | Confident | 54 Ų | 54 | 56.7 Ų | 56.7 | 24% | 0.235 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.9 | -37.9 | 178.7 | -172.9 | -178.7 | 176.6 | -173.7 | 0 | 112.6 | I78 A702 E703 Q709 S710 Q730 | I78-K706 VanDerWaalsContact CD1-CE 3.41Å; A702-K706 WeakPolarHBondContact O-CB 3.43Å; A702-K706 PolarHBondContact O-N 2.99Å; E703-K706 PolarHBondContact O-N 3.02Å; E703-K706 WeakPolarHBondContact OE2-CD 3.42Å; E703-K706 IonicContact OE2-NZ 3Å; K706-Q709 PolarHBondContact O-N 2.82Å; K706-S710 WeakPolarHBondContact O-CB 3.46Å; K706-S710 PolarHBondContact O-N 3.17Å; K706-Q730 HydrophobicContact CB-CG 4.25Å |
| 707 | R | 94 | Very high | 89.1 | Confident | 121 Ų | 121 | 55.6 Ų | 55.6 | 46% | 0.457 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.2 | -48.4 | 173 | -175.7 | 176.7 | 65.9 | -155.5 | -1.1 | 111.1 | E703 A704 I705 Q709 S710 E711 | E703-R707 WeakPolarHBondContact O-CB 3.5Å; E703-R707 PolarHBondContact O-N 3.27Å; A704-R707 PolarHBondContact O-N 3.09Å; I705-R707 VanDerWaalsContact C-N 3.3Å; I705-R707 PolarHBondContact O-N 2.77Å; R707-Q709 VanDerWaalsContact C-N 3.31Å; R707-Q709 PolarHBondContact O-N 3.27Å; R707-S710 PolarHBondContact O-N 3.41Å; R707-S710 VanDerWaalsContact O-N 3.15Å; R707-S710 PolarHBondContact O-OG 3.3Å; R707-E711 PolarHBondContact O-N 3.47Å |
| 708 | L | 93.8 | Very high | 90 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.9 | -42 | 176.1 | -69.1 | 169.5 | 0 | 0 | 0 | 111.6 | V521 I693 A704 I705 S710 E711 R713 V715 | V521-L708 HydrophobicContact CG2-CD1 3.61Å; I693-L708 HydrophobicContact CD1-CD1 4.21Å; A704-L708 PolarHBondContact O-N 3.23Å; I705-L708 WeakPolarHBondContact O-CB 3.22Å; I705-L708 PolarHBondContact O-N 3.41Å; I705-L708 VanDerWaalsContact O-N 3.13Å; L708-S710 VanDerWaalsContact C-N 3.33Å; L708-S710 PolarHBondContact O-N 3.46Å; L708-E711 WeakPolarHBondContact O-CB 3.4Å; L708-E711 PolarHBondContact O-N 3.39Å; L708-E711 VanDerWaalsContact O-N 3.17Å; L708-R713 VanDerWaalsContact O-CB 3.26Å; L708-R713 WeakPolarHBondContact O-CB 2.87Å; L708-R713 WeakPolarHBondContact O-CG 3.32Å; L708-R713 PolarHBondContact O-N 2.92Å; L708-V715 HydrophobicContact CB-CG2 3.8Å |
| 709 | Q | 93.7 | Very high | 91.1 | Very high | 43 Ų | 43 | 46.5 Ų | 46.5 | 20% | 0.201 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63 | -38.7 | 175.5 | -71.4 | 172.9 | -37.7 | 0 | 0 | 112.3 | I705 K706 R707 E711 G712 V715 Q730 D732 | I705-Q709 HydrophobicContact CG2-CG 4.49Å; I705-Q709 WeakPolarHBondContact O-CG 3.18Å; I705-Q709 PolarHBondContact O-N 3.37Å; K706-Q709 PolarHBondContact O-N 2.82Å; R707-Q709 VanDerWaalsContact C-N 3.31Å; R707-Q709 PolarHBondContact O-N 3.27Å; Q709-E711 PolarHBondContact O-N 2.9Å; Q709-G712 WeakPolarHBondContact O-CA 3.19Å; Q709-G712 PolarHBondContact O-N 3.48Å; Q709-V715 HydrophobicContact CG-CB 4.31Å; Q709-V715 HydrophobicContact CG-CG2 3.94Å; Q709-Q730 PolarHBondContact NE2-O 3.4Å; Q709-Q730 PolarHBondContact OE1-O 3.49Å; Q709-D732 PolarHBondContact NE2-OD2 3.18Å; Q709-D732 VanDerWaalsContact NE2-OD2 3.16Å |
| 710 | S | 93.7 | Very high | 91.9 | Very high | 98 Ų | 98 | 41.1 Ų | 41.1 | 69% | 0.685 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -64.8 | -21.4 | 176.4 | 78.7 | 0 | 0 | 0 | 0 | 113.5 | K706 R707 L708 G712 | K706-S710 WeakPolarHBondContact O-CB 3.46Å; K706-S710 PolarHBondContact O-N 3.17Å; R707-S710 PolarHBondContact O-N 3.41Å; R707-S710 VanDerWaalsContact O-N 3.15Å; R707-S710 PolarHBondContact O-OG 3.3Å; L708-S710 VanDerWaalsContact C-N 3.33Å; L708-S710 PolarHBondContact O-N 3.46Å; S710-G712 PolarHBondContact O-N 2.82Å |
| 711 | E | 93.1 | Very high | 91.7 | Very high | 104 Ų | 104 | 40.8 Ų | 40.8 | 49% | 0.486 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | 2.9 | 170.8 | -62 | 172.7 | -167.1 | 0 | 0 | 112.8 | R707 L708 Q709 R713 | R707-E711 PolarHBondContact O-N 3.47Å; L708-E711 WeakPolarHBondContact O-CB 3.4Å; L708-E711 PolarHBondContact O-N 3.39Å; L708-E711 VanDerWaalsContact O-N 3.17Å; Q709-E711 PolarHBondContact O-N 2.9Å; E711-R713 HydrophobicContact CB-CG 4.22Å |
| 712 | G | 91.5 | Very high | 91.2 | Very high | 65 Ų | 65 | 45.2 Ų | 45.2 | 67% | 0.67 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.7 | 14.9 | -177 | 0 | 0 | 0 | 0 | 0 | 114 | Q709 S710 | Q709-G712 WeakPolarHBondContact O-CA 3.19Å; Q709-G712 PolarHBondContact O-N 3.48Å; S710-G712 PolarHBondContact O-N 2.82Å |
| 713 | R | 93.6 | Very high | 90.8 | Very high | 93 Ų | 93 | 48.8 Ų | 48.8 | 35% | 0.351 | 26% | 0.259 | S | S | . | . | trans | -81.2 | 145 | 175.9 | -56 | -68.3 | 178.7 | 171.4 | -1.6 | 110.7 | D518 L708 E711 V715 | D518-R713 WeakPolarHBondContact OD1-CD 3.45Å; D518-R713 IonicContact OD1-CZ 3.53Å; D518-R713 IonicContact OD1-NE 3.94Å; D518-R713 IonicContact OD1-NH1 2.75Å; D518-R713 PolarHBondContact OD1-NH1 3.19Å; L708-R713 VanDerWaalsContact O-CB 3.26Å; L708-R713 WeakPolarHBondContact O-CB 2.87Å; L708-R713 WeakPolarHBondContact O-CG 3.32Å; L708-R713 PolarHBondContact O-N 2.92Å; E711-R713 HydrophobicContact CB-CG 4.22Å; R713-V715 HydrophobicContact CB-CG2 3.94Å | ||
| 714 | Q | 94.6 | Very high | 90.6 | Very high | 73 Ų | 73 | 43.7 Ų | 43.7 | 34% | 0.341 | 24% | 0.235 | S | C | . | . | trans | -100.8 | 113.9 | 168.1 | -64.7 | -165.9 | -40.2 | 0 | 0 | 108.8 | T516 L517 D518 T519 D732 | T516-Q714 PolarHBondContact O-OE1 3.24Å; T516-Q714 PolarHBondContact OG1-OE1 3.4Å; L517-Q714 HydrophobicContact CD2-CB 4.16Å; D518-Q714 PolarHBondContact N-O 3.22Å; D518-Q714 VanDerWaalsContact N-O 3.17Å; D518-Q714 PolarHBondContact OD2-N 2.6Å; T519-Q714 PolarHBondContact N-O 3.09Å; T519-Q714 VanDerWaalsContact N-O 3.12Å; Q714-D732 WeakPolarHBondContact CA-OD2 3.04Å | ||
| 715 | V | 96.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 125.1 | -160.3 | -176.4 | 0 | 0 | 0 | 0 | 110.9 | L517 T519 V521 I705 L708 Q709 R713 D732 V733 | L517-V715 VanDerWaalsContact CD2-C 3.49Å; T519-V715 WeakPolarHBondContact O-CA 3.41Å; V521-V715 HydrophobicContact CB-CG1 4.42Å; V521-V715 HydrophobicContact CG2-CG1 3.52Å; I705-V715 HydrophobicContact CD1-CG1 4.06Å; I705-V715 HydrophobicContact CG2-CG1 4.18Å; L708-V715 HydrophobicContact CB-CG2 3.8Å; Q709-V715 HydrophobicContact CG-CB 4.31Å; Q709-V715 HydrophobicContact CG-CG2 3.94Å; R713-V715 HydrophobicContact CB-CG2 3.94Å; V715-D732 PolarHBondContact N-OD2 3.04Å; V715-D732 WeakPolarHBondContact O-CB 3.46Å; V715-D732 PolarHBondContact O-N 3.42Å; V715-V733 PolarHBondContact O-N 3.02Å |
| 716 | A | 96.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 136.9 | 159.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | L517 T519 V520 V521 V733 I735 | L517-A716 HydrophobicContact CD1-CB 3.52Å; L517-A716 HydrophobicContact CD2-CB 4.33Å; T519-A716 PolarHBondContact O-N 3.38Å; V520-A716 HydrophobicContact CG1-CB 4.32Å; V521-A716 PolarHBondContact N-O 3.26Å; A716-V733 WeakPolarHBondContact CA-O 3.28Å; A716-I735 HydrophobicContact CB-CD1 4.27Å |
| 717 | M | 95.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 129.2 | 168.4 | 174.5 | 60.9 | -173.9 | 0 | 0 | 108.6 | V521 D523 L672 I705 D724 A727 L728 A731 V733 I735 | V521-M717 HydrophobicContact CB-SD 4.1Å; V521-M717 HydrophobicContact CG1-SD 3.8Å; V521-M717 CarbonylContact O-C 3.59Å; V521-M717 WeakPolarHBondContact O-CA 3.3Å; D523-M717 HydrophobicContact CB-CE 3.96Å; L672-M717 HydrophobicContact CD2-CE 4.49Å; L672-M717 HydrophobicContact CD2-SD 4.45Å; I705-M717 HydrophobicContact CD1-CB 4.25Å; I705-M717 HydrophobicContact CD1-SD 4.12Å; M717-D724 HydrophobicContact CE-CB 4.19Å; M717-A727 HydrophobicContact CE-CB 4.22Å; M717-A727 HydrophobicContact CG-CB 4.04Å; M717-A727 HydrophobicContact SD-CB 4.39Å; M717-L728 HydrophobicContact CB-CD2 4.17Å; M717-L728 HydrophobicContact CG-CD2 3.86Å; M717-L728 HydrophobicContact CG-CG 4.17Å; M717-L728 WeakPolarHBondContact O-CD2 3.38Å; M717-A731 HydrophobicContact CB-CB 3.63Å; M717-V733 PolarHBondContact N-O 3.42Å; M717-V733 VanDerWaalsContact N-O 3.13Å; M717-I735 PolarHBondContact O-N 2.69Å |
| 718 | V | 95.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 124.6 | 174.1 | -168.4 | 0 | 0 | 0 | 0 | 108.4 | V520 V521 F522 D523 T527 I735 M737 V760 | V520-V718 HydrophobicContact CG1-CG2 3.83Å; V521-V718 PolarHBondContact O-N 3.38Å; F522-V718 HydrophobicContact CD1-CB 3.83Å; F522-V718 HydrophobicContact CD1-CG1 4.24Å; F522-V718 HydrophobicContact CD1-CG2 3.92Å; F522-V718 HydrophobicContact CE1-CB 4.18Å; F522-V718 HydrophobicContact CE1-CG1 4.46Å; F522-V718 HydrophobicContact CE1-CG2 3.81Å; F522-V718 HydrophobicContact CZ-CG2 4.42Å; D523-V718 PolarHBondContact N-O 3.3Å; T527-V718 HydrophobicContact CG2-CB 4.24Å; T527-V718 HydrophobicContact CG2-CG1 3.76Å; V718-I735 VanDerWaalsContact CA-O 3.3Å; V718-I735 WeakPolarHBondContact CA-O 3.33Å; V718-I735 HydrophobicContact CG1-CB 4.5Å; V718-I735 HydrophobicContact CG1-CG2 4.47Å; V718-I735 HydrophobicContact CG2-CB 4.21Å; V718-I735 HydrophobicContact CG2-CD1 4.36Å; V718-M737 HydrophobicContact CG1-CG 4.48Å; V718-M737 HydrophobicContact CG1-SD 4.12Å; V718-V760 HydrophobicContact CG1-CG2 4.09Å; V718-V760 HydrophobicContact CG2-CG1 4.27Å; V718-V760 HydrophobicContact CG2-CG2 4.23Å |
| 719 | G | 91.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 171.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | T527 I735 A736 M737 | T527-G719 WeakPolarHBondContact OG1-CA 3.17Å; G719-I735 PolarHBondContact N-O 2.95Å; G719-I735 VanDerWaalsContact N-O 3.09Å; G719-A736 WeakPolarHBondContact O-CA 3.23Å; G719-M737 PolarHBondContact O-N 3.33Å |
| 720 | D | 86.9 | Confident | 89.1 | Confident | 33 Ų | 33 | 43.5 Ų | 43.5 | 18% | 0.176 | 26% | 0.258 | C | S | . | . | trans | -132.7 | -24.9 | 179.4 | 65.5 | -66.1 | 0 | 0 | 0 | 112.3 | T527 D724 M737 G740 S741 | T527-D720 PolarHBondContact N-OD1 3.17Å; T527-D720 PolarHBondContact OG1-N 3.49Å; T527-D720 PolarHBondContact OG1-OD1 2.96Å; D720-D724 PolarHBondContact N-OD2 2.86Å; D720-M737 HydrophobicContact CB-CB 3.97Å; D720-M737 HydrophobicContact CB-CG 4.3Å; D720-G740 CarbonylContact O-C 3.55Å; D720-G740 WeakPolarHBondContact O-CA 3.18Å; D720-S741 PolarHBondContact O-N 3.25Å; D720-S741 PolarHBondContact O-OG 3.01Å | ||
| 721 | G | 76.8 | Confident | 89 | Confident | 20 Ų | 20 | 39.1 Ų | 39.1 | 21% | 0.206 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -87.1 | 161.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115 | N723 D724 | G721-N723 PolarHBondContact O-N 3.31Å; G721-D724 PolarHBondContact N-OD2 2.89Å; G721-D724 WeakPolarHBondContact O-CB 3.07Å; G721-D724 PolarHBondContact O-N 3.44Å |
| 722 | I | 77.1 | Confident | 89 | Confident | 110 Ų | 110 | 36.2 Ų | 36.2 | 56% | 0.564 | 22% | 0.216 | S | C | * | . | G | 310 helix | trans | -58.7 | -35.2 | 168.7 | -58.1 | 171.9 | 0 | 0 | 0 | 110.1 | D724 A725 S741 | I722-D724 PolarHBondContact O-N 3.43Å; I722-A725 WeakPolarHBondContact O-CB 3.41Å; I722-A725 PolarHBondContact O-N 3.34Å; I722-S741 VanDerWaalsContact CG1-CB 3.47Å; I722-S741 WeakPolarHBondContact CG1-OG 3.46Å; I722-S741 PolarHBondContact N-OG 3.48Å |
| 723 | N | 79.3 | Confident | 89.1 | Confident | 94 Ų | 94 | 33.1 Ų | 33.1 | 50% | 0.503 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -65 | -18.2 | 177.5 | -61.8 | -33 | 0 | 0 | 0 | 113.3 | P698 G721 | P698-N723 HydrophobicContact CB-CB 4.37Å; G721-N723 PolarHBondContact O-N 3.31Å |
| 724 | D | 84.6 | Confident | 89.1 | Confident | 2 Ų | 2 | 28.9 Ų | 28.9 | 1% | 0.011 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -93.6 | -15.6 | -179.2 | -55.5 | -41.6 | 0 | 0 | 0 | 112.2 | K701 M717 D720 G721 I722 A727 L728 | K701-D724 IonicContact NZ-OD1 3.31Å; K701-D724 PolarHBondContact NZ-OD1 3.17Å; M717-D724 HydrophobicContact CE-CB 4.19Å; D720-D724 PolarHBondContact N-OD2 2.86Å; G721-D724 PolarHBondContact N-OD2 2.89Å; G721-D724 WeakPolarHBondContact O-CB 3.07Å; G721-D724 PolarHBondContact O-N 3.44Å; I722-D724 PolarHBondContact O-N 3.43Å; D724-A727 CarbonylContact O-C 3.44Å; D724-A727 WeakPolarHBondContact O-CA 3.3Å; D724-A727 WeakPolarHBondContact O-CB 3.2Å; D724-A727 PolarHBondContact O-N 2.94Å; D724-L728 HydrophobicContact CB-CD1 4.23Å; D724-L728 HydrophobicContact CB-CG 4.39Å; D724-L728 WeakPolarHBondContact O-CB 3.49Å; D724-L728 WeakPolarHBondContact O-CG 3.17Å; D724-L728 PolarHBondContact O-N 3.36Å |
| 725 | A | 83.1 | Confident | 89.1 | Confident | 9 Ų | 9 | 25.4 Ų | 25.4 | 7% | 0.074 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -53.6 | -45.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I722 A727 L728 A729 V743 T747 | I722-A725 WeakPolarHBondContact O-CB 3.41Å; I722-A725 PolarHBondContact O-N 3.34Å; A725-A727 VanDerWaalsContact C-N 3.32Å; A725-A727 PolarHBondContact O-N 2.9Å; A725-L728 PolarHBondContact O-N 3.17Å; A725-A729 PolarHBondContact O-N 3.14Å; A725-V743 HydrophobicContact CB-CG1 3.66Å; A725-T747 VanDerWaalsContact O-CG2 3.32Å; A725-T747 WeakPolarHBondContact O-CG2 3.24Å |
| 726 | P | 83.8 | Confident | 88.9 | Confident | 67 Ų | 67 | 25.4 Ų | 25.4 | 44% | 0.435 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -60.5 | -38.3 | 174.8 | -24 | 35.4 | 0 | 0 | 0 | 113.5 | A702 Q730 | A702-P726 HydrophobicContact CB-CB 4.22Å; P726-Q730 WeakPolarHBondContact O-CB 3.38Å; P726-Q730 PolarHBondContact O-N 3.25Å; P726-Q730 VanDerWaalsContact O-N 3.09Å |
| 727 | A | 88.9 | Confident | 88.5 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -73 | -36.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | K701 I705 M717 D724 A725 A729 Q730 A731 | K701-A727 HydrophobicContact CB-CB 3.9Å; I705-A727 HydrophobicContact CG1-CB 4.05Å; M717-A727 HydrophobicContact CE-CB 4.22Å; M717-A727 HydrophobicContact CG-CB 4.04Å; M717-A727 HydrophobicContact SD-CB 4.39Å; D724-A727 CarbonylContact O-C 3.44Å; D724-A727 WeakPolarHBondContact O-CA 3.3Å; D724-A727 WeakPolarHBondContact O-CB 3.2Å; D724-A727 PolarHBondContact O-N 2.94Å; A725-A727 VanDerWaalsContact C-N 3.32Å; A725-A727 PolarHBondContact O-N 2.9Å; A727-A729 VanDerWaalsContact C-N 3.35Å; A727-Q730 PolarHBondContact O-N 2.92Å; A727-A731 WeakPolarHBondContact O-CB 3.41Å; A727-A731 PolarHBondContact O-N 3.39Å; A727-A731 VanDerWaalsContact O-N 3.1Å |
| 728 | L | 90.5 | Very high | 87.5 | Confident | 3 Ų | 3 | 26.8 Ų | 26.8 | 2% | 0.016 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63 | -40.2 | 173.6 | -73.1 | 169 | 0 | 0 | 0 | 111.5 | M717 D724 A725 G734 A744 T747 | M717-L728 HydrophobicContact CB-CD2 4.17Å; M717-L728 HydrophobicContact CG-CD2 3.86Å; M717-L728 HydrophobicContact CG-CG 4.17Å; M717-L728 WeakPolarHBondContact O-CD2 3.38Å; D724-L728 HydrophobicContact CB-CD1 4.23Å; D724-L728 HydrophobicContact CB-CG 4.39Å; D724-L728 WeakPolarHBondContact O-CB 3.49Å; D724-L728 WeakPolarHBondContact O-CG 3.17Å; D724-L728 PolarHBondContact O-N 3.36Å; A725-L728 PolarHBondContact O-N 3.17Å; L728-G734 WeakPolarHBondContact O-CA 3.28Å; L728-A744 HydrophobicContact CD1-CB 3.83Å; L728-T747 HydrophobicContact CB-CG2 4.11Å |
| 729 | A | 87.1 | Confident | 86.2 | Confident | 67 Ų | 67 | 29.4 Ų | 29.4 | 55% | 0.554 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -69.2 | -39.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A725 A727 T747 | A725-A729 PolarHBondContact O-N 3.14Å; A727-A729 VanDerWaalsContact C-N 3.35Å; A729-T747 HydrophobicContact CB-CG2 3.63Å |
| 730 | Q | 90.3 | Very high | 85.1 | Confident | 75 Ų | 75 | 30 Ų | 30 | 35% | 0.35 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -71 | -30.5 | -179.3 | -177.7 | 58.3 | 59.5 | 0 | 0 | 112.8 | A702 I705 K706 Q709 P726 A727 | A702-Q730 HydrophobicContact CB-CB 4.3Å; I705-Q730 HydrophobicContact CB-CB 4.49Å; I705-Q730 HydrophobicContact CB-CG 4.11Å; I705-Q730 HydrophobicContact CG2-CB 4.29Å; I705-Q730 HydrophobicContact CG2-CG 3.94Å; K706-Q730 HydrophobicContact CB-CG 4.25Å; Q709-Q730 PolarHBondContact NE2-O 3.4Å; Q709-Q730 PolarHBondContact OE1-O 3.49Å; P726-Q730 WeakPolarHBondContact O-CB 3.38Å; P726-Q730 PolarHBondContact O-N 3.25Å; P726-Q730 VanDerWaalsContact O-N 3.09Å; A727-Q730 PolarHBondContact O-N 2.92Å |
| 731 | A | 92.7 | Very high | 84.5 | Confident | 7 Ų | 7 | 29.8 Ų | 29.8 | 6% | 0.058 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -64.4 | 154.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I705 M717 A727 V733 | I705-A731 HydrophobicContact CG2-CB 4.09Å; M717-A731 HydrophobicContact CB-CB 3.63Å; A727-A731 WeakPolarHBondContact O-CB 3.41Å; A727-A731 PolarHBondContact O-N 3.39Å; A727-A731 VanDerWaalsContact O-N 3.1Å; A731-V733 PolarHBondContact O-N 3.41Å |
| 732 | D | 92.6 | Very high | 84.5 | Confident | 42 Ų | 42 | 34.3 Ų | 34.3 | 23% | 0.225 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -60.6 | -34 | 172.9 | -63 | -85.9 | 0 | 0 | 0 | 110.9 | R513 L517 Q709 Q714 V715 | R513-D732 WeakPolarHBondContact CD-O 3.29Å; R513-D732 PolarHBondContact NE-O 3.41Å; R513-D732 PolarHBondContact NH1-O 3.44Å; L517-D732 HydrophobicContact CD2-CB 4.04Å; Q709-D732 PolarHBondContact NE2-OD2 3.18Å; Q709-D732 VanDerWaalsContact NE2-OD2 3.16Å; Q714-D732 WeakPolarHBondContact CA-OD2 3.04Å; V715-D732 PolarHBondContact N-OD2 3.04Å; V715-D732 WeakPolarHBondContact O-CB 3.46Å; V715-D732 PolarHBondContact O-N 3.42Å |
| 733 | V | 94.1 | Very high | 84.4 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 111.4 | 170.8 | -176.3 | 0 | 0 | 0 | 0 | 110.3 | R513 A514 L517 V715 A716 M717 A731 I735 A749 I750 | R513-V733 HydrophobicContact CB-CG2 3.58Å; A514-V733 HydrophobicContact CB-CG1 4.45Å; A514-V733 HydrophobicContact CB-CG2 4.13Å; L517-V733 HydrophobicContact CD1-CB 4.19Å; L517-V733 HydrophobicContact CD1-CG2 4.14Å; L517-V733 HydrophobicContact CD2-CG2 4.31Å; L517-V733 HydrophobicContact CG-CG2 4.43Å; V715-V733 PolarHBondContact O-N 3.02Å; A716-V733 WeakPolarHBondContact CA-O 3.28Å; M717-V733 PolarHBondContact N-O 3.42Å; M717-V733 VanDerWaalsContact N-O 3.13Å; A731-V733 PolarHBondContact O-N 3.41Å; V733-I735 HydrophobicContact CG1-CG1 4.16Å; V733-A749 HydrophobicContact CG1-CB 4.39Å; V733-I750 HydrophobicContact CG1-CD1 3.83Å; V733-I750 HydrophobicContact CG1-CG1 4.1Å |
| 734 | G | 93.3 | Very high | 84.5 | Confident | 3 Ų | 3 | 27.8 Ų | 27.8 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 132.3 | 165.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L728 A748 A749 I750 | L728-G734 WeakPolarHBondContact O-CA 3.28Å; G734-A748 WeakPolarHBondContact O-CB 3.39Å; G734-A749 PolarHBondContact O-N 3.46Å; G734-I750 PolarHBondContact O-N 3.12Å; G734-I750 VanDerWaalsContact O-N 3.1Å |
| 735 | I | 94.5 | Very high | 84.2 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 112.7 | 176 | -52.5 | -178.7 | 0 | 0 | 0 | 109.1 | A716 M717 V718 G719 V733 I750 L752 V760 | A716-I735 HydrophobicContact CB-CD1 4.27Å; M717-I735 PolarHBondContact O-N 2.69Å; V718-I735 VanDerWaalsContact CA-O 3.3Å; V718-I735 WeakPolarHBondContact CA-O 3.33Å; V718-I735 HydrophobicContact CG1-CB 4.5Å; V718-I735 HydrophobicContact CG1-CG2 4.47Å; V718-I735 HydrophobicContact CG2-CB 4.21Å; V718-I735 HydrophobicContact CG2-CD1 4.36Å; G719-I735 PolarHBondContact N-O 2.95Å; G719-I735 VanDerWaalsContact N-O 3.09Å; V733-I735 HydrophobicContact CG1-CG1 4.16Å; I735-I750 CarbonylContact C-O 3.56Å; I735-I750 VanDerWaalsContact CA-O 3.24Å; I735-I750 WeakPolarHBondContact CA-O 3.4Å; I735-I750 HydrophobicContact CG1-CB 4.29Å; I735-I750 HydrophobicContact CG2-CG2 4.37Å; I735-L752 HydrophobicContact CG2-CD1 4.17Å; I735-L752 HydrophobicContact CG2-CD2 4.35Å; I735-L752 HydrophobicContact CG2-CG 3.94Å; I735-V760 HydrophobicContact CD1-CG1 4.07Å |
| 736 | A | 91.2 | Very high | 83.8 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 140.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | G719 A744 I745 A748 I750 T751 L752 | G719-A736 WeakPolarHBondContact O-CA 3.23Å; A736-A744 HydrophobicContact CB-CB 4.43Å; A736-I745 HydrophobicContact CB-CG1 4.26Å; A736-A748 HydrophobicContact CB-CB 3.49Å; A736-A748 VanDerWaalsContact CB-CB 3.49Å; A736-I750 PolarHBondContact N-O 2.83Å; A736-T751 HydrophobicContact CB-CG2 4.27Å; A736-T751 WeakPolarHBondContact O-CA 3.44Å; A736-L752 PolarHBondContact O-N 3.26Å |
| 737 | M | 89.3 | Confident | 83.7 | Confident | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.015 | 21% | 0.208 | C | C | . | . | trans | -75.7 | 149.1 | 167.9 | -61.2 | -63.7 | -70.9 | 0 | 0 | 110.8 | T527 V718 G719 D720 G739 G740 L752 H755 L757 | T527-M737 HydrophobicContact CG2-CG 4.39Å; V718-M737 HydrophobicContact CG1-CG 4.48Å; V718-M737 HydrophobicContact CG1-SD 4.12Å; G719-M737 PolarHBondContact O-N 3.33Å; D720-M737 HydrophobicContact CB-CB 3.97Å; D720-M737 HydrophobicContact CB-CG 4.3Å; M737-G739 VanDerWaalsContact C-N 3.3Å; M737-G739 PolarHBondContact O-N 2.91Å; M737-G740 WeakPolarHBondContact O-CA 3.47Å; M737-G740 PolarHBondContact O-N 2.84Å; M737-L752 HydrophobicContact SD-CD1 3.9Å; M737-H755 WeakPolarHBondContact CE-O 3.44Å; M737-L757 HydrophobicContact CE-CD2 4.39Å; M737-L757 HydrophobicContact CE-CG 4.32Å; M737-L757 HydrophobicContact SD-CD2 4.26Å | ||
| 738 | G | 73.9 | Confident | 83.5 | Confident | 27 Ų | 27 | 32.6 Ų | 32.6 | 28% | 0.278 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -22.9 | -171.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | G740 L752 | G738-G740 VanDerWaalsContact C-N 3.29Å; G738-L752 WeakPolarHBondContact CA-O 3.3Å; G738-L752 PolarHBondContact N-O 3.47Å |
| 739 | G | 68.7 | Low | 83.3 | Confident | 55 Ų | 55 | 33.2 Ų | 33.2 | 57% | 0.567 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | 5.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | M737 | M737-G739 VanDerWaalsContact C-N 3.3Å; M737-G739 PolarHBondContact O-N 2.91Å |
| 740 | G | 68.6 | Low | 83.4 | Confident | 11 Ų | 11 | 30 Ų | 30 | 11% | 0.113 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -71.1 | 166.2 | 180 | 0 | 0 | 0 | 0 | 0 | 112.8 | D720 M737 G738 | D720-G740 CarbonylContact O-C 3.55Å; D720-G740 WeakPolarHBondContact O-CA 3.18Å; M737-G740 WeakPolarHBondContact O-CA 3.47Å; M737-G740 PolarHBondContact O-N 2.84Å; G738-G740 VanDerWaalsContact C-N 3.29Å |
| 741 | S | 74.7 | Confident | 83.4 | Confident | 30 Ų | 30 | 26.8 Ų | 26.8 | 21% | 0.21 | 17% | 0.172 | C | C | . | . | trans | -58.8 | 149.2 | 174.9 | 64.6 | 0 | 0 | 0 | 0 | 112 | D720 I722 V743 A744 I745 | D720-S741 PolarHBondContact O-N 3.25Å; D720-S741 PolarHBondContact O-OG 3.01Å; I722-S741 VanDerWaalsContact CG1-CB 3.47Å; I722-S741 WeakPolarHBondContact CG1-OG 3.46Å; I722-S741 PolarHBondContact N-OG 3.48Å; S741-V743 PolarHBondContact O-N 3.45Å; S741-V743 VanDerWaalsContact O-N 3.13Å; S741-A744 WeakPolarHBondContact O-CB 3.4Å; S741-A744 PolarHBondContact O-N 3.42Å; S741-A744 WeakPolarHBondContact OG-CB 3.25Å; S741-A744 PolarHBondContact OG-N 2.87Å; S741-I745 PolarHBondContact O-N 2.87Å | ||
| 742 | D | 76.2 | Confident | 83.2 | Confident | 115 Ų | 115 | 26.4 Ų | 26.4 | 62% | 0.615 | 17% | 0.17 | S | C | * | . | H | α-helix | trans | -53.3 | -36.5 | 175.6 | -70 | -34.7 | 0 | 0 | 0 | 111.7 | I745 E746 | D742-I745 PolarHBondContact O-N 3.48Å; D742-E746 WeakPolarHBondContact O-CB 3.45Å; D742-E746 WeakPolarHBondContact O-CG 3.39Å; D742-E746 PolarHBondContact O-N 3.29Å |
| 743 | V | 75.4 | Confident | 82.6 | Confident | 67 Ų | 67 | 26 Ų | 26 | 41% | 0.406 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -62.5 | -44.1 | 176.6 | -172.9 | 0 | 0 | 0 | 0 | 111.6 | A725 S741 T747 | A725-V743 HydrophobicContact CB-CG1 3.66Å; S741-V743 PolarHBondContact O-N 3.45Å; S741-V743 VanDerWaalsContact O-N 3.13Å; V743-T747 VanDerWaalsContact O-CB 3.26Å; V743-T747 WeakPolarHBondContact O-CB 3.38Å; V743-T747 PolarHBondContact O-N 3.05Å; V743-T747 PolarHBondContact O-OG1 3.06Å |
| 744 | A | 80 | Confident | 81.8 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.4 | -43.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L728 A736 S741 T747 A748 | L728-A744 HydrophobicContact CD1-CB 3.83Å; A736-A744 HydrophobicContact CB-CB 4.43Å; S741-A744 WeakPolarHBondContact O-CB 3.4Å; S741-A744 PolarHBondContact O-N 3.42Å; S741-A744 WeakPolarHBondContact OG-CB 3.25Å; S741-A744 PolarHBondContact OG-N 2.87Å; A744-T747 PolarHBondContact O-N 3.33Å; A744-A748 VanDerWaalsContact O-CB 3.31Å; A744-A748 WeakPolarHBondContact O-CB 3.47Å; A744-A748 PolarHBondContact O-N 3.36Å |
| 745 | I | 79.3 | Confident | 81 | Confident | 34 Ų | 34 | 33.1 Ų | 33.1 | 17% | 0.174 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.2 | -44.6 | 178.3 | -66 | 172.5 | 0 | 0 | 0 | 111.2 | A736 S741 D742 T747 T751 | A736-I745 HydrophobicContact CB-CG1 4.26Å; S741-I745 PolarHBondContact O-N 2.87Å; D742-I745 PolarHBondContact O-N 3.48Å; I745-T747 VanDerWaalsContact C-N 3.3Å; I745-T747 PolarHBondContact O-N 2.98Å; I745-T751 HydrophobicContact CB-CG2 4.47Å; I745-T751 HydrophobicContact CG1-CG2 4.03Å; I745-T751 HydrophobicContact CG2-CG2 3.99Å |
| 746 | E | 75.5 | Confident | 80.6 | Confident | 96 Ų | 96 | 34.4 Ų | 34.4 | 45% | 0.449 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -71.3 | -25 | 178.6 | -73 | -164.5 | 158 | 0 | 0 | 113.2 | R506 D742 | R506-E746 PolarHBondContact NH1-O 3.39Å; D742-E746 WeakPolarHBondContact O-CB 3.45Å; D742-E746 WeakPolarHBondContact O-CG 3.39Å; D742-E746 PolarHBondContact O-N 3.29Å |
| 747 | T | 80.1 | Confident | 80.5 | Confident | 48 Ų | 48 | 34.5 Ų | 34.5 | 29% | 0.294 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -83.2 | -35.9 | 178.2 | -56.1 | 0 | 0 | 0 | 0 | 111.9 | A725 L728 A729 V743 A744 I745 | A725-T747 VanDerWaalsContact O-CG2 3.32Å; A725-T747 WeakPolarHBondContact O-CG2 3.24Å; L728-T747 HydrophobicContact CB-CG2 4.11Å; A729-T747 HydrophobicContact CB-CG2 3.63Å; V743-T747 VanDerWaalsContact O-CB 3.26Å; V743-T747 WeakPolarHBondContact O-CB 3.38Å; V743-T747 PolarHBondContact O-N 3.05Å; V743-T747 PolarHBondContact O-OG1 3.06Å; A744-T747 PolarHBondContact O-N 3.33Å; I745-T747 VanDerWaalsContact C-N 3.3Å; I745-T747 PolarHBondContact O-N 2.98Å |
| 748 | A | 85.2 | Confident | 80.6 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.008 | 21% | 0.214 | C | C | . | . | trans | -69.3 | 146.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G734 A736 A744 I750 | G734-A748 WeakPolarHBondContact O-CB 3.39Å; A736-A748 HydrophobicContact CB-CB 3.49Å; A736-A748 VanDerWaalsContact CB-CB 3.49Å; A744-A748 VanDerWaalsContact O-CB 3.31Å; A744-A748 WeakPolarHBondContact O-CB 3.47Å; A744-A748 PolarHBondContact O-N 3.36Å; A748-I750 WeakPolarHBondContact CB-O 3.39Å | ||
| 749 | A | 86 | Confident | 81.4 | Confident | 16 Ų | 16 | 34.7 Ų | 34.7 | 13% | 0.132 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -82.6 | -25 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | R506 A510 V733 G734 | R506-A749 PolarHBondContact N-O 3Å; A510-A749 HydrophobicContact CB-CB 3.67Å; V733-A749 HydrophobicContact CG1-CB 4.39Å; G734-A749 PolarHBondContact O-N 3.46Å |
| 750 | I | 90.5 | Very high | 82.5 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 135.7 | 175.2 | -59.8 | 179.3 | 0 | 0 | 0 | 108.5 | V503 L504 A510 A514 V733 G734 I735 A736 A748 A763 | V503-I750 HydrophobicContact CG1-CG2 3.57Å; L504-I750 CarbonylContact O-C 3.59Å; L504-I750 VanDerWaalsContact O-CA 3.25Å; L504-I750 WeakPolarHBondContact O-CA 3.38Å; A510-I750 HydrophobicContact CB-CG1 4.26Å; A514-I750 HydrophobicContact CB-CD1 4.09Å; V733-I750 HydrophobicContact CG1-CD1 3.83Å; V733-I750 HydrophobicContact CG1-CG1 4.1Å; G734-I750 PolarHBondContact O-N 3.12Å; G734-I750 VanDerWaalsContact O-N 3.1Å; I735-I750 CarbonylContact C-O 3.56Å; I735-I750 VanDerWaalsContact CA-O 3.24Å; I735-I750 WeakPolarHBondContact CA-O 3.4Å; I735-I750 HydrophobicContact CG1-CB 4.29Å; I735-I750 HydrophobicContact CG2-CG2 4.37Å; A736-I750 PolarHBondContact N-O 2.83Å; A748-I750 WeakPolarHBondContact CB-O 3.39Å; I750-A763 HydrophobicContact CG2-CB 4.29Å |
| 751 | T | 88.8 | Confident | 83.7 | Confident | 6 Ų | 6 | 31.8 Ų | 31.8 | 4% | 0.037 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 129.4 | 175 | -48.3 | 0 | 0 | 0 | 0 | 109.3 | L504 A736 I745 | L504-T751 PolarHBondContact N-O 2.99Å; L504-T751 PolarHBondContact O-N 3.3Å; A736-T751 HydrophobicContact CB-CG2 4.27Å; A736-T751 WeakPolarHBondContact O-CA 3.44Å; I745-T751 HydrophobicContact CB-CG2 4.47Å; I745-T751 HydrophobicContact CG1-CG2 4.03Å; I745-T751 HydrophobicContact CG2-CG2 3.99Å |
| 752 | L | 89.4 | Confident | 84.5 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 123.6 | 173.4 | -55.9 | -176.7 | 0 | 0 | 0 | 108.4 | V503 I735 A736 M737 G738 V760 | V503-L752 HydrophobicContact CB-CD2 4.48Å; V503-L752 HydrophobicContact CG1-CD2 4.29Å; V503-L752 HydrophobicContact CG2-CD2 3.9Å; I735-L752 HydrophobicContact CG2-CD1 4.17Å; I735-L752 HydrophobicContact CG2-CD2 4.35Å; I735-L752 HydrophobicContact CG2-CG 3.94Å; A736-L752 PolarHBondContact O-N 3.26Å; M737-L752 HydrophobicContact SD-CD1 3.9Å; G738-L752 WeakPolarHBondContact CA-O 3.3Å; G738-L752 PolarHBondContact N-O 3.47Å; L752-V760 HydrophobicContact CD1-CB 4.49Å; L752-V760 HydrophobicContact CD1-CG2 3.57Å |
| 753 | M | 79.9 | Confident | 85.2 | Confident | 33 Ų | 33 | 26.1 Ų | 26.1 | 16% | 0.163 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -75.5 | -32.6 | 174.8 | -67.1 | -173 | 64 | 0 | 0 | 112.2 | L373 T411 I415 G502 L504 | L373-M753 HydrophobicContact CB-CE 3.67Å; L373-M753 HydrophobicContact CD2-CE 3.96Å; L373-M753 HydrophobicContact CG-CE 4.38Å; L373-M753 WeakPolarHBondContact O-CE 3.43Å; T411-M753 HydrophobicContact CG2-CE 4.46Å; I415-M753 HydrophobicContact CD1-CE 3.2Å; I415-M753 HydrophobicContact CD1-SD 3.6Å; I415-M753 VanDerWaalsContact CD1-SD 3.6Å; I415-M753 HydrophobicContact CG1-CE 3.99Å; I415-M753 HydrophobicContact CG1-SD 3.86Å; G502-M753 PolarHBondContact O-N 2.81Å; L504-M753 HydrophobicContact CD1-CG 3.61Å; L504-M753 HydrophobicContact CD1-SD 3.8Å; L504-M753 HydrophobicContact CD2-CG 4.36Å; L504-M753 HydrophobicContact CD2-SD 3.85Å; L504-M753 HydrophobicContact CG-CG 3.75Å; L504-M753 HydrophobicContact CG-SD 3.9Å |
| 754 | R | 76.5 | Confident | 86.1 | Confident | 39 Ų | 39 | 22.9 Ų | 22.9 | 15% | 0.147 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -75.4 | 146.5 | 176.2 | -68.7 | -177.2 | -81.6 | -176.7 | 13.4 | 110.1 | T374 F501 S756 D762 | T374-R754 WeakPolarHBondContact O-CD 3.37Å; T374-R754 WeakPolarHBondContact O-CG 3.31Å; F501-R754 PolarHBondContact O-NE 2.88Å; F501-R754 VanDerWaalsContact O-NE 3.14Å; F501-R754 PolarHBondContact O-NH2 3.4Å; R754-S756 PolarHBondContact O-N 3.3Å; R754-D762 IonicContact NH2-OD2 2.94Å; R754-D762 PolarHBondContact NH2-OD2 3.47Å |
| 755 | H | 78.1 | Confident | 86.7 | Confident | 115 Ų | 115 | 24.8 Ų | 24.8 | 53% | 0.532 | 13% | 0.134 | S | C | . | . | S | Bend | trans | -72 | -0.1 | 167 | -59.7 | -62.3 | 0 | 0 | 0 | 113.4 | R652 M737 | R652-H755 PolarHBondContact NH1-O 3.44Å; M737-H755 WeakPolarHBondContact CE-O 3.44Å |
| 756 | S | 85.2 | Confident | 87.3 | Confident | 27 Ų | 27 | 24 Ų | 24 | 19% | 0.189 | 13% | 0.13 | C | C | . | . | trans | -87.3 | 129.1 | -177.7 | 173.1 | 0 | 0 | 0 | 0 | 112.3 | D654 R754 M758 G759 | D654-S756 WeakPolarHBondContact OD2-CA 3.41Å; D654-S756 VanDerWaalsContact OD2-CB 3.22Å; D654-S756 WeakPolarHBondContact OD2-CB 3.37Å; D654-S756 PolarHBondContact OD2-OG 3.31Å; R754-S756 PolarHBondContact O-N 3.3Å; S756-M758 PolarHBondContact O-N 3.42Å; S756-M758 WeakPolarHBondContact OG-CB 3.18Å; S756-M758 PolarHBondContact OG-N 2.96Å; S756-G759 PolarHBondContact O-N 3.17Å; S756-G759 VanDerWaalsContact O-N 3.12Å | ||
| 757 | L | 90.3 | Very high | 88.1 | Confident | 2 Ų | 2 | 19.5 Ų | 19.5 | 1% | 0.01 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -17.4 | 173.1 | -80.2 | 159.6 | 0 | 0 | 0 | 112.9 | F522 T527 L528 D654 S655 A658 M737 G759 V760 | F522-L757 HydrophobicContact CD1-CD2 4.08Å; F522-L757 HydrophobicContact CE1-CD2 3.93Å; T527-L757 HydrophobicContact CG2-CD2 4.31Å; L528-L757 HydrophobicContact CD2-CD1 4.1Å; D654-L757 PolarHBondContact OD2-N 3.24Å; S655-L757 WeakPolarHBondContact OG-CD1 3.1Å; A658-L757 HydrophobicContact CB-CB 3.67Å; M737-L757 HydrophobicContact CE-CD2 4.39Å; M737-L757 HydrophobicContact CE-CG 4.32Å; M737-L757 HydrophobicContact SD-CD2 4.26Å; L757-G759 PolarHBondContact O-N 3.38Å; L757-G759 VanDerWaalsContact O-N 3.14Å; L757-V760 HydrophobicContact CD2-CG2 4.24Å; L757-V760 WeakPolarHBondContact O-CB 3.38Å; L757-V760 PolarHBondContact O-N 2.85Å |
| 758 | M | 90.7 | Very high | 88.6 | Confident | 33 Ų | 33 | 21 Ų | 21 | 16% | 0.163 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -57.9 | -26.1 | 170.9 | -69.1 | -69.1 | -80.2 | 0 | 0 | 112.1 | D654 A658 S756 V760 A761 D762 | D654-M758 PolarHBondContact OD2-N 2.88Å; A658-M758 VanDerWaalsContact CA-SD 3.6Å; A658-M758 HydrophobicContact CB-CG 4.21Å; A658-M758 HydrophobicContact CB-SD 3.84Å; S756-M758 PolarHBondContact O-N 3.42Å; S756-M758 WeakPolarHBondContact OG-CB 3.18Å; S756-M758 PolarHBondContact OG-N 2.96Å; M758-V760 VanDerWaalsContact C-N 3.26Å; M758-V760 PolarHBondContact O-N 3.4Å; M758-A761 PolarHBondContact O-N 2.94Å; M758-A761 VanDerWaalsContact O-N 3.16Å; M758-D762 PolarHBondContact O-N 3.04Å |
| 759 | G | 89.9 | Confident | 88.9 | Confident | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -57.3 | -35.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | S756 L757 D762 A763 | S756-G759 PolarHBondContact O-N 3.17Å; S756-G759 VanDerWaalsContact O-N 3.12Å; L757-G759 PolarHBondContact O-N 3.38Å; L757-G759 VanDerWaalsContact O-N 3.14Å; G759-D762 PolarHBondContact O-N 2.97Å; G759-A763 VanDerWaalsContact O-CB 3.31Å; G759-A763 WeakPolarHBondContact O-CB 3.19Å; G759-A763 PolarHBondContact O-N 3.36Å |
| 760 | V | 93.3 | Very high | 89 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.3 | -47.6 | 175.5 | -177.4 | 0 | 0 | 0 | 0 | 110.1 | V520 F522 L662 V718 I735 L752 L757 M758 D762 A763 L764 | V520-V760 HydrophobicContact CG1-CG1 4.44Å; F522-V760 HydrophobicContact CE1-CG2 4.48Å; L662-V760 HydrophobicContact CD1-CG1 4.17Å; V718-V760 HydrophobicContact CG1-CG2 4.09Å; V718-V760 HydrophobicContact CG2-CG1 4.27Å; V718-V760 HydrophobicContact CG2-CG2 4.23Å; I735-V760 HydrophobicContact CD1-CG1 4.07Å; L752-V760 HydrophobicContact CD1-CB 4.49Å; L752-V760 HydrophobicContact CD1-CG2 3.57Å; L757-V760 HydrophobicContact CD2-CG2 4.24Å; L757-V760 WeakPolarHBondContact O-CB 3.38Å; L757-V760 PolarHBondContact O-N 2.85Å; M758-V760 VanDerWaalsContact C-N 3.26Å; M758-V760 PolarHBondContact O-N 3.4Å; V760-D762 VanDerWaalsContact C-N 3.35Å; V760-D762 PolarHBondContact O-N 3.15Å; V760-A763 PolarHBondContact O-N 2.99Å; V760-L764 HydrophobicContact CG1-CD1 4.27Å; V760-L764 WeakPolarHBondContact O-CG 3.39Å; V760-L764 PolarHBondContact O-N 2.86Å |
| 761 | A | 92.6 | Very high | 88.9 | Confident | 5 Ų | 5 | 24.3 Ų | 24.3 | 4% | 0.041 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.8 | -37.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | R661 L662 M758 A765 | R661-A761 HydrophobicContact CG-CB 4.13Å; L662-A761 HydrophobicContact CD2-CB 3.88Å; L662-A761 HydrophobicContact CG-CB 4.17Å; M758-A761 PolarHBondContact O-N 2.94Å; M758-A761 VanDerWaalsContact O-N 3.16Å; A761-A765 VanDerWaalsContact O-CB 3.28Å; A761-A765 WeakPolarHBondContact O-CB 3.17Å; A761-A765 PolarHBondContact O-N 3.16Å; A761-A765 VanDerWaalsContact O-N 3.07Å |
| 762 | D | 91.4 | Very high | 89 | Confident | 23 Ų | 23 | 31.7 Ų | 31.7 | 12% | 0.123 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.6 | -45.6 | 174.2 | -70.6 | -19.1 | 0 | 0 | 0 | 111.3 | R661 R754 M758 G759 V760 L764 A765 I766 | R661-D762 IonicContact CZ-OD1 3.8Å; R661-D762 VanDerWaalsContact CZ-OD1 3.23Å; R661-D762 IonicContact NH1-OD1 3.55Å; R661-D762 PolarHBondContact NH1-OD1 3.38Å; R661-D762 IonicContact NH2-OD1 3.14Å; R661-D762 PolarHBondContact NH2-OD1 2.95Å; R754-D762 IonicContact NH2-OD2 2.94Å; R754-D762 PolarHBondContact NH2-OD2 3.47Å; M758-D762 PolarHBondContact O-N 3.04Å; G759-D762 PolarHBondContact O-N 2.97Å; V760-D762 VanDerWaalsContact C-N 3.35Å; V760-D762 PolarHBondContact O-N 3.15Å; D762-L764 PolarHBondContact O-N 3.28Å; D762-A765 PolarHBondContact O-N 3.3Å; D762-I766 WeakPolarHBondContact O-CB 3.43Å; D762-I766 VanDerWaalsContact O-CG1 3.24Å; D762-I766 WeakPolarHBondContact O-CG1 3.45Å; D762-I766 PolarHBondContact O-N 3.39Å |
| 763 | A | 92.1 | Very high | 88.8 | Confident | 2 Ų | 2 | 33 Ų | 33 | 2% | 0.017 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -56.1 | -52 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | V503 I750 G759 V760 A765 I766 S767 | V503-A763 HydrophobicContact CB-CB 4.46Å; V503-A763 HydrophobicContact CG1-CB 3.52Å; V503-A763 HydrophobicContact CG2-CB 4.09Å; I750-A763 HydrophobicContact CG2-CB 4.29Å; G759-A763 VanDerWaalsContact O-CB 3.31Å; G759-A763 WeakPolarHBondContact O-CB 3.19Å; G759-A763 PolarHBondContact O-N 3.36Å; V760-A763 PolarHBondContact O-N 2.99Å; A763-A765 VanDerWaalsContact C-N 3.33Å; A763-A765 PolarHBondContact O-N 2.96Å; A763-I766 PolarHBondContact O-N 3.04Å; A763-S767 WeakPolarHBondContact O-CB 3.24Å; A763-S767 PolarHBondContact O-N 3.27Å; A763-S767 PolarHBondContact O-OG 2.96Å |
| 764 | L | 94.3 | Very high | 89 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.3 | -34.5 | 179.8 | -64.4 | -179 | 0 | 0 | 0 | 112.9 | A514 L517 V520 L662 Y667 V760 D762 R768 | A514-L764 HydrophobicContact CB-CD2 4.15Å; L517-L764 HydrophobicContact CD1-CD2 3.64Å; V520-L764 HydrophobicContact CG2-CD1 4.03Å; L662-L764 HydrophobicContact CD2-CD1 3.76Å; Y667-L764 HydrophobicContact CD2-CD1 4.31Å; Y667-L764 HydrophobicContact CE1-CD1 4.08Å; Y667-L764 HydrophobicContact CE2-CB 4.34Å; Y667-L764 HydrophobicContact CE2-CD1 3.77Å; V760-L764 HydrophobicContact CG1-CD1 4.27Å; V760-L764 WeakPolarHBondContact O-CG 3.39Å; V760-L764 PolarHBondContact O-N 2.86Å; D762-L764 PolarHBondContact O-N 3.28Å; L764-R768 WeakPolarHBondContact O-CG 3.32Å; L764-R768 PolarHBondContact O-N 3.23Å; L764-R768 VanDerWaalsContact O-N 3.14Å |
| 765 | A | 92.6 | Very high | 89.5 | Confident | 39 Ų | 39 | 35.5 Ų | 35.5 | 32% | 0.322 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -68.6 | -43.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | A761 D762 A763 R768 A769 | A761-A765 VanDerWaalsContact O-CB 3.28Å; A761-A765 WeakPolarHBondContact O-CB 3.17Å; A761-A765 PolarHBondContact O-N 3.16Å; A761-A765 VanDerWaalsContact O-N 3.07Å; D762-A765 PolarHBondContact O-N 3.3Å; A763-A765 VanDerWaalsContact C-N 3.33Å; A763-A765 PolarHBondContact O-N 2.96Å; A765-R768 PolarHBondContact O-N 3.13Å; A765-A769 WeakPolarHBondContact O-CB 3.31Å; A765-A769 PolarHBondContact O-N 3.09Å |
| 766 | I | 91.5 | Very high | 90 | Very high | 19 Ų | 19 | 34.5 Ų | 34.5 | 10% | 0.097 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.8 | -41.6 | 178 | -67.8 | 168.5 | 0 | 0 | 0 | 110.5 | A498 F501 D762 A763 A769 T770 | A498-I766 HydrophobicContact CB-CD1 4.39Å; A498-I766 HydrophobicContact CB-CG2 4.18Å; F501-I766 HydrophobicContact CB-CD1 4.33Å; F501-I766 HydrophobicContact CD2-CD1 3.77Å; F501-I766 HydrophobicContact CE2-CD1 4.45Å; F501-I766 HydrophobicContact CG-CD1 4.34Å; D762-I766 WeakPolarHBondContact O-CB 3.43Å; D762-I766 VanDerWaalsContact O-CG1 3.24Å; D762-I766 WeakPolarHBondContact O-CG1 3.45Å; D762-I766 PolarHBondContact O-N 3.39Å; A763-I766 PolarHBondContact O-N 3.04Å; I766-A769 PolarHBondContact O-N 3.37Å; I766-T770 WeakPolarHBondContact O-CB 3.35Å; I766-T770 PolarHBondContact O-N 2.9Å; I766-T770 PolarHBondContact O-OG1 3.45Å |
| 767 | S | 91.7 | Very high | 89.8 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.007 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57 | -49.9 | 173.9 | -66.2 | 0 | 0 | 0 | 0 | 112.1 | L511 A514 A763 A769 T770 L771 | L511-S767 VanDerWaalsContact CD2-OG 3.23Å; L511-S767 WeakPolarHBondContact CD2-OG 3.01Å; L511-S767 WeakPolarHBondContact O-CB 3.48Å; A514-S767 WeakPolarHBondContact CB-OG 3.36Å; A763-S767 WeakPolarHBondContact O-CB 3.24Å; A763-S767 PolarHBondContact O-N 3.27Å; A763-S767 PolarHBondContact O-OG 2.96Å; S767-A769 PolarHBondContact O-N 2.68Å; S767-T770 PolarHBondContact O-N 3.19Å; S767-L771 PolarHBondContact O-N 2.85Å |
| 768 | R | 91.6 | Very high | 89.5 | Confident | 80 Ų | 80 | 34 Ų | 34 | 30% | 0.302 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -62.8 | -40 | 176.3 | -75.1 | -172.1 | -74.7 | -173.2 | -4.3 | 113.1 | Y667 L764 A765 R772 | Y667-R768 PolarHBondContact OH-NE 3.21Å; Y667-R768 VanDerWaalsContact OH-NE 3.11Å; Y667-R768 PolarHBondContact OH-NH2 2.81Å; L764-R768 WeakPolarHBondContact O-CG 3.32Å; L764-R768 PolarHBondContact O-N 3.23Å; L764-R768 VanDerWaalsContact O-N 3.14Å; A765-R768 PolarHBondContact O-N 3.13Å; R768-R772 VanDerWaalsContact O-CB 3.29Å; R768-R772 WeakPolarHBondContact O-CB 3.42Å; R768-R772 PolarHBondContact O-N 3.26Å |
| 769 | A | 91.3 | Very high | 89.2 | Confident | 54 Ų | 54 | 37.3 Ų | 37.3 | 45% | 0.446 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -66.1 | -41.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A765 I766 S767 R772 N773 | A765-A769 WeakPolarHBondContact O-CB 3.31Å; A765-A769 PolarHBondContact O-N 3.09Å; I766-A769 PolarHBondContact O-N 3.37Å; S767-A769 PolarHBondContact O-N 2.68Å; A769-R772 PolarHBondContact O-N 3.43Å; A769-N773 WeakPolarHBondContact O-CB 3.32Å; A769-N773 PolarHBondContact O-N 2.81Å |
| 770 | T | 87.6 | Confident | 88.7 | Confident | 13 Ų | 13 | 38.7 Ų | 38.7 | 8% | 0.08 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.1 | -47.6 | 179.3 | -57.3 | 0 | 0 | 0 | 0 | 111.1 | S490 G494 L511 I766 S767 R772 N773 M774 | S490-T770 WeakPolarHBondContact O-CG2 3.41Å; G494-T770 WeakPolarHBondContact CA-OG1 3.24Å; L511-T770 HydrophobicContact CD1-CG2 4.33Å; I766-T770 WeakPolarHBondContact O-CB 3.35Å; I766-T770 PolarHBondContact O-N 2.9Å; I766-T770 PolarHBondContact O-OG1 3.45Å; S767-T770 PolarHBondContact O-N 3.19Å; T770-R772 VanDerWaalsContact C-N 3.33Å; T770-R772 PolarHBondContact O-N 3.44Å; T770-N773 PolarHBondContact O-N 2.91Å; T770-M774 WeakPolarHBondContact O-CB 3.32Å; T770-M774 PolarHBondContact O-N 3.37Å |
| 771 | L | 88.9 | Confident | 88 | Confident | 19 Ų | 19 | 38.7 Ų | 38.7 | 10% | 0.099 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64 | -39.2 | 176.7 | -173 | 67.8 | 0 | 0 | 0 | 111.7 | I429 Q512 S515 S767 M774 K775 | I429-L771 HydrophobicContact CD1-CD1 4.03Å; I429-L771 HydrophobicContact CG2-CD1 4.49Å; Q512-L771 HydrophobicContact CG-CD1 4.24Å; S515-L771 WeakPolarHBondContact OG-CD2 3.24Å; S767-L771 PolarHBondContact O-N 2.85Å; L771-M774 PolarHBondContact O-N 3.26Å; L771-K775 HydrophobicContact CG-CD 4.33Å; L771-K775 WeakPolarHBondContact O-CB 3.36Å; L771-K775 WeakPolarHBondContact O-CG 3.34Å; L771-K775 PolarHBondContact O-N 2.92Å |
| 772 | R | 89.6 | Confident | 87.4 | Confident | 160 Ų | 160 | 41 Ų | 41 | 60% | 0.604 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -61.4 | -47 | 176.4 | -172.7 | -177.1 | -54.4 | 175.9 | 3.5 | 111.6 | R768 A769 T770 M774 K775 Q776 | R768-R772 VanDerWaalsContact O-CB 3.29Å; R768-R772 WeakPolarHBondContact O-CB 3.42Å; R768-R772 PolarHBondContact O-N 3.26Å; A769-R772 PolarHBondContact O-N 3.43Å; T770-R772 VanDerWaalsContact C-N 3.33Å; T770-R772 PolarHBondContact O-N 3.44Å; R772-M774 VanDerWaalsContact C-N 3.3Å; R772-M774 PolarHBondContact O-N 3.07Å; R772-K775 PolarHBondContact O-N 3.42Å; R772-Q776 WeakPolarHBondContact O-CB 3.25Å; R772-Q776 VanDerWaalsContact O-CG 3.29Å; R772-Q776 WeakPolarHBondContact O-CG 3.43Å; R772-Q776 PolarHBondContact O-N 3.16Å |
| 773 | N | 86 | Confident | 87 | Confident | 28 Ų | 28 | 43.9 Ų | 43.9 | 15% | 0.15 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.3 | -42.9 | 176.4 | -178.7 | -102 | 0 | 0 | 0 | 111.1 | S490 A769 T770 Q776 N777 Q823 | S490-N773 PolarHBondContact OG-OD1 3.41Å; A769-N773 WeakPolarHBondContact O-CB 3.32Å; A769-N773 PolarHBondContact O-N 2.81Å; T770-N773 PolarHBondContact O-N 2.91Å; N773-Q776 PolarHBondContact O-N 2.72Å; N773-N777 WeakPolarHBondContact O-CB 3.23Å; N773-N777 PolarHBondContact O-N 3.11Å; N773-N777 PolarHBondContact O-ND2 2.74Å; N773-N777 PolarHBondContact OD1-ND2 2.87Å; N773-N777 VanDerWaalsContact OD1-ND2 3.14Å; N773-Q823 PolarHBondContact ND2-O 3Å |
| 774 | M | 84.6 | Confident | 86.5 | Confident | 7 Ų | 7 | 46.2 Ų | 46.2 | 3% | 0.034 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.3 | -46.7 | 177.5 | -164.6 | 178.9 | -56.5 | 0 | 0 | 112.3 | P427 I429 T487 S490 I491 T770 L771 R772 Q776 N777 L778 | P427-M774 HydrophobicContact CG-CE 4.24Å; P427-M774 HydrophobicContact CG-SD 4.49Å; I429-M774 HydrophobicContact CB-SD 4.47Å; I429-M774 HydrophobicContact CG2-CE 4.41Å; I429-M774 HydrophobicContact CG2-CG 4.45Å; I429-M774 HydrophobicContact CG2-SD 3.13Å; I429-M774 WeakPolarHBondContact CG2-SD 3.4Å; T487-M774 HydrophobicContact CG2-CE 3.84Å; T487-M774 HydrophobicContact CG2-SD 3.56Å; T487-M774 VanDerWaalsContact CG2-SD 3.56Å; T487-M774 PolarHBondContact OG1-SD 2.92Å; S490-M774 WeakPolarHBondContact OG-CA 3.35Å; S490-M774 PolarHBondContact OG-N 3.16Å; I491-M774 HydrophobicContact CD1-CE 4.4Å; I491-M774 HydrophobicContact CG1-CE 3.75Å; T770-M774 WeakPolarHBondContact O-CB 3.32Å; T770-M774 PolarHBondContact O-N 3.37Å; L771-M774 PolarHBondContact O-N 3.26Å; R772-M774 VanDerWaalsContact C-N 3.3Å; R772-M774 PolarHBondContact O-N 3.07Å; M774-Q776 VanDerWaalsContact C-N 3.33Å; M774-Q776 PolarHBondContact O-N 2.91Å; M774-N777 PolarHBondContact O-N 2.73Å; M774-L778 HydrophobicContact CG-CD1 4.23Å; M774-L778 WeakPolarHBondContact O-CB 3.22Å; M774-L778 VanDerWaalsContact O-CG 3.29Å; M774-L778 WeakPolarHBondContact O-CG 3.37Å; M774-L778 PolarHBondContact O-N 2.99Å |
| 775 | K | 86.7 | Confident | 85.9 | Confident | 118 Ų | 118 | 46.5 Ų | 46.5 | 51% | 0.513 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60.7 | -40.9 | 175.3 | -74.9 | 179.5 | 177.2 | 178.6 | 0 | 111.9 | I429 L771 R772 L779 | I429-K775 HydrophobicContact CD1-CG 4Å; L771-K775 HydrophobicContact CG-CD 4.33Å; L771-K775 WeakPolarHBondContact O-CB 3.36Å; L771-K775 WeakPolarHBondContact O-CG 3.34Å; L771-K775 PolarHBondContact O-N 2.92Å; R772-K775 PolarHBondContact O-N 3.42Å; K775-L779 WeakPolarHBondContact O-CB 2.97Å; K775-L779 PolarHBondContact O-N 3.38Å |
| 776 | Q | 87.3 | Confident | 85.5 | Confident | 93 Ų | 93 | 47.9 Ų | 47.9 | 44% | 0.435 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.2 | -44.4 | 176.2 | -74.8 | 172.7 | -26.4 | 0 | 0 | 112.1 | R772 N773 M774 L779 G780 | R772-Q776 WeakPolarHBondContact O-CB 3.25Å; R772-Q776 VanDerWaalsContact O-CG 3.29Å; R772-Q776 WeakPolarHBondContact O-CG 3.43Å; R772-Q776 PolarHBondContact O-N 3.16Å; N773-Q776 PolarHBondContact O-N 2.72Å; M774-Q776 VanDerWaalsContact C-N 3.33Å; M774-Q776 PolarHBondContact O-N 2.91Å; Q776-L779 PolarHBondContact O-N 3.38Å; Q776-G780 PolarHBondContact O-N 3.47Å |
| 777 | N | 82.7 | Confident | 85.4 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.011 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.1 | -46.4 | 177.9 | -71.1 | -16.7 | 0 | 0 | 0 | 111.7 | A486 S490 N773 M774 G780 A781 V820 | A486-N777 HydrophobicContact CB-CB 3.6Å; S490-N777 PolarHBondContact OG-ND2 3.31Å; N773-N777 WeakPolarHBondContact O-CB 3.23Å; N773-N777 PolarHBondContact O-N 3.11Å; N773-N777 PolarHBondContact O-ND2 2.74Å; N773-N777 PolarHBondContact OD1-ND2 2.87Å; N773-N777 VanDerWaalsContact OD1-ND2 3.14Å; M774-N777 PolarHBondContact O-N 2.73Å; N777-G780 PolarHBondContact O-N 3.35Å; N777-A781 PolarHBondContact O-N 2.91Å; N777-V820 HydrophobicContact CB-CG1 4.12Å; N777-V820 HydrophobicContact CB-CG2 4.34Å |
| 778 | L | 83.4 | Confident | 85.2 | Confident | 16 Ų | 16 | 52.5 Ų | 52.5 | 8% | 0.084 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.2 | -46.4 | 175.7 | -69.1 | 172.7 | 0 | 0 | 0 | 111.1 | I429 A433 L483 A486 M774 G780 A781 F782 | I429-L778 HydrophobicContact CD1-CD1 3.89Å; I429-L778 HydrophobicContact CG1-CD1 3.84Å; A433-L778 HydrophobicContact CB-CD2 4.06Å; L483-L778 HydrophobicContact CD1-CD2 3.41Å; L483-L778 VanDerWaalsContact CD1-CD2 3.41Å; L483-L778 HydrophobicContact CG-CD2 4.29Å; A486-L778 HydrophobicContact CB-CD2 3.67Å; A486-L778 HydrophobicContact CB-CG 4Å; M774-L778 HydrophobicContact CG-CD1 4.23Å; M774-L778 WeakPolarHBondContact O-CB 3.22Å; M774-L778 VanDerWaalsContact O-CG 3.29Å; M774-L778 WeakPolarHBondContact O-CG 3.37Å; M774-L778 PolarHBondContact O-N 2.99Å; L778-G780 PolarHBondContact O-N 3.34Å; L778-A781 PolarHBondContact O-N 3.39Å; L778-F782 VanDerWaalsContact O-CD2 3.23Å; L778-F782 WeakPolarHBondContact O-CD2 3.38Å; L778-F782 PolarHBondContact O-N 3.44Å |
| 779 | L | 84.4 | Confident | 85 | Confident | 104 Ų | 104 | 49.4 Ų | 49.4 | 55% | 0.545 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.8 | -45.6 | 177.6 | -180 | 65.4 | 0 | 0 | 0 | 111.3 | K775 Q776 A781 F782 I783 | K775-L779 WeakPolarHBondContact O-CB 2.97Å; K775-L779 PolarHBondContact O-N 3.38Å; Q776-L779 PolarHBondContact O-N 3.38Å; L779-A781 VanDerWaalsContact C-N 3.34Å; L779-A781 PolarHBondContact O-N 2.84Å; L779-F782 PolarHBondContact O-N 3.3Å; L779-I783 HydrophobicContact CD1-CD1 3.81Å; L779-I783 HydrophobicContact CD1-CG1 4.03Å; L779-I783 HydrophobicContact CD2-CD1 4.32Å; L779-I783 HydrophobicContact CG-CD1 3.69Å; L779-I783 HydrophobicContact CG-CG1 4.28Å; L779-I783 WeakPolarHBondContact O-CB 3.37Å; L779-I783 VanDerWaalsContact O-CG1 3.28Å; L779-I783 WeakPolarHBondContact O-CG1 3.46Å; L779-I783 PolarHBondContact O-N 2.82Å |
| 780 | G | 79.7 | Confident | 85 | Confident | 29 Ų | 29 | 49.3 Ų | 49.3 | 30% | 0.299 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -58.7 | -45.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q776 N777 L778 Y784 | Q776-G780 PolarHBondContact O-N 3.47Å; N777-G780 PolarHBondContact O-N 3.35Å; L778-G780 PolarHBondContact O-N 3.34Å; G780-Y784 WeakPolarHBondContact O-CB 3.28Å; G780-Y784 PolarHBondContact O-N 2.99Å |
| 781 | A | 78.2 | Confident | 85.1 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.3 | -43.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | A482 L483 N777 L778 L779 N785 | A482-A781 HydrophobicContact CB-CB 3.97Å; L483-A781 HydrophobicContact CB-CB 4.34Å; L483-A781 HydrophobicContact CD1-CB 4.35Å; N777-A781 PolarHBondContact O-N 2.91Å; L778-A781 PolarHBondContact O-N 3.39Å; L779-A781 VanDerWaalsContact C-N 3.34Å; L779-A781 PolarHBondContact O-N 2.84Å; A781-N785 PolarHBondContact O-N 2.84Å |
| 782 | F | 79.9 | Confident | 85 | Confident | 53 Ų | 53 | 49.8 Ų | 49.8 | 23% | 0.232 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69.3 | -42.2 | 179.1 | -86.6 | -66 | 0 | 0 | 0 | 113.4 | I436 L483 L778 L779 Y784 N785 S786 | I436-F782 HydrophobicContact CB-CZ 4.2Å; I436-F782 HydrophobicContact CD1-CE2 4.38Å; I436-F782 HydrophobicContact CD1-CZ 3.98Å; I436-F782 HydrophobicContact CG2-CE1 3.67Å; I436-F782 HydrophobicContact CG2-CZ 3.49Å; I436-F782 VanDerWaalsContact CG2-CZ 3.49Å; L483-F782 HydrophobicContact CD1-CD2 3.81Å; L483-F782 HydrophobicContact CD1-CE2 3.31Å; L483-F782 HydrophobicContact CD1-CZ 3.69Å; L483-F782 HydrophobicContact CD2-CE1 4.29Å; L483-F782 HydrophobicContact CD2-CE2 4.27Å; L483-F782 HydrophobicContact CD2-CZ 3.76Å; L483-F782 HydrophobicContact CG-CE2 4.45Å; L483-F782 HydrophobicContact CG-CZ 4.42Å; L778-F782 VanDerWaalsContact O-CD2 3.23Å; L778-F782 WeakPolarHBondContact O-CD2 3.38Å; L778-F782 PolarHBondContact O-N 3.44Å; L779-F782 PolarHBondContact O-N 3.3Å; F782-Y784 VanDerWaalsContact C-N 3.29Å; F782-Y784 PolarHBondContact O-N 2.84Å; F782-N785 PolarHBondContact O-N 2.93Å; F782-S786 WeakPolarHBondContact O-CB 3.09Å; F782-S786 PolarHBondContact O-N 2.98Å; F782-S786 PolarHBondContact O-OG 2.79Å |
| 783 | I | 83.7 | Confident | 85 | Confident | 83 Ų | 83 | 43.1 Ų | 43.1 | 43% | 0.426 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -59.9 | -45.8 | 178.6 | -74.1 | 172.8 | 0 | 0 | 0 | 109.6 | L779 N785 S786 I787 | L779-I783 HydrophobicContact CD1-CD1 3.81Å; L779-I783 HydrophobicContact CD1-CG1 4.03Å; L779-I783 HydrophobicContact CD2-CD1 4.32Å; L779-I783 HydrophobicContact CG-CD1 3.69Å; L779-I783 HydrophobicContact CG-CG1 4.28Å; L779-I783 WeakPolarHBondContact O-CB 3.37Å; L779-I783 VanDerWaalsContact O-CG1 3.28Å; L779-I783 WeakPolarHBondContact O-CG1 3.46Å; L779-I783 PolarHBondContact O-N 2.82Å; I783-N785 PolarHBondContact O-N 3.19Å; I783-S786 PolarHBondContact O-N 3.29Å; I783-I787 HydrophobicContact CG2-CD1 3.73Å; I783-I787 WeakPolarHBondContact O-CB 3.29Å; I783-I787 WeakPolarHBondContact O-CG1 3.3Å; I783-I787 PolarHBondContact O-N 3.41Å |
| 784 | Y | 81.8 | Confident | 85 | Confident | 51 Ų | 51 | 42.1 Ų | 42.1 | 20% | 0.2 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.8 | -51.2 | 179.2 | 175.8 | -95.4 | 0 | 0 | 0 | 111.8 | I477 G780 F782 G788 A809 A812 M813 | I477-Y784 HydrophobicContact CD1-CE1 4.33Å; I477-Y784 WeakPolarHBondContact CD1-OH 3.3Å; G780-Y784 WeakPolarHBondContact O-CB 3.28Å; G780-Y784 PolarHBondContact O-N 2.99Å; F782-Y784 VanDerWaalsContact C-N 3.29Å; F782-Y784 PolarHBondContact O-N 2.84Å; Y784-G788 PolarHBondContact O-N 3.25Å; Y784-A809 PolarHBondContact OH-O 3.21Å; Y784-A812 HydrophobicContact CE2-CB 3.69Å; Y784-A812 WeakPolarHBondContact OH-CA 3.43Å; Y784-A812 WeakPolarHBondContact OH-CB 3.39Å; Y784-A812 PolarHBondContact OH-O 2.9Å; Y784-M813 PolarHBondContact OH-N 3.22Å |
| 785 | N | 80.8 | Confident | 85.2 | Confident | 6 Ų | 6 | 46.8 Ų | 46.8 | 3% | 0.032 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.7 | -41.9 | 179.5 | -72.1 | -6.5 | 0 | 0 | 0 | 112.4 | F440 I477 C479 A781 F782 I783 I787 G788 I789 | F440-N785 HydrophobicContact CZ-CB 4.11Å; I477-N785 PolarHBondContact O-OD1 3.26Å; C479-N785 PolarHBondContact O-ND2 3.47Å; A781-N785 PolarHBondContact O-N 2.84Å; F782-N785 PolarHBondContact O-N 2.93Å; I783-N785 PolarHBondContact O-N 3.19Å; N785-I787 VanDerWaalsContact C-N 3.33Å; N785-I787 PolarHBondContact O-N 3.27Å; N785-G788 PolarHBondContact O-N 3.29Å; N785-I789 WeakPolarHBondContact O-CD1 3.14Å; N785-I789 VanDerWaalsContact O-CG1 3.3Å; N785-I789 WeakPolarHBondContact O-CG1 3.27Å; N785-I789 PolarHBondContact O-N 3.33Å |
| 786 | S | 85.1 | Confident | 85.2 | Confident | 68 Ų | 68 | 45 Ų | 45 | 48% | 0.476 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.4 | -36 | -177.6 | -59.4 | 0 | 0 | 0 | 0 | 112.7 | F782 I783 P790 | F782-S786 WeakPolarHBondContact O-CB 3.09Å; F782-S786 PolarHBondContact O-N 2.98Å; F782-S786 PolarHBondContact O-OG 2.79Å; I783-S786 PolarHBondContact O-N 3.29Å; S786-P790 WeakPolarHBondContact O-CD 3.43Å; S786-P790 WeakPolarHBondContact O-CG 3.42Å |
| 787 | I | 87.9 | Confident | 85 | Confident | 109 Ų | 109 | 44.5 Ų | 44.5 | 56% | 0.559 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -80.5 | -38.9 | 174.5 | -64.3 | 172.9 | 0 | 0 | 0 | 110.4 | I783 N785 I789 P790 V791 | I783-I787 HydrophobicContact CG2-CD1 3.73Å; I783-I787 WeakPolarHBondContact O-CB 3.29Å; I783-I787 WeakPolarHBondContact O-CG1 3.3Å; I783-I787 PolarHBondContact O-N 3.41Å; N785-I787 VanDerWaalsContact C-N 3.33Å; N785-I787 PolarHBondContact O-N 3.27Å; I787-I789 PolarHBondContact O-N 3.29Å; I787-P790 WeakPolarHBondContact O-CD 3.32Å; I787-V791 HydrophobicContact CG2-CG2 4.37Å; I787-V791 VanDerWaalsContact O-CG2 3.24Å; I787-V791 WeakPolarHBondContact O-CG2 3.42Å; I787-V791 PolarHBondContact O-N 3.45Å |
| 788 | G | 87.3 | Confident | 84.9 | Confident | 9 Ų | 9 | 48.9 Ų | 48.9 | 9% | 0.093 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.8 | -40.2 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y784 N785 V791 A792 | Y784-G788 PolarHBondContact O-N 3.25Å; N785-G788 PolarHBondContact O-N 3.29Å; G788-V791 PolarHBondContact O-N 3.11Å; G788-A792 VanDerWaalsContact O-CB 3.24Å; G788-A792 WeakPolarHBondContact O-CB 3.45Å; G788-A792 PolarHBondContact O-N 3.07Å |
| 789 | I | 89.1 | Confident | 85 | Confident | 15 Ų | 15 | 56.4 Ų | 56.4 | 8% | 0.077 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.8 | -53.6 | -176.4 | -70.6 | 161.2 | 0 | 0 | 0 | 112.7 | F440 V444 I447 V474 I477 A478 N785 I787 V791 A792 A793 | F440-I789 HydrophobicContact CE2-CD1 3.91Å; F440-I789 HydrophobicContact CZ-CD1 3.7Å; V444-I789 HydrophobicContact CG2-CD1 3.85Å; I447-I789 HydrophobicContact CD1-CG2 4.24Å; I447-I789 HydrophobicContact CG2-CG2 3.87Å; V474-I789 HydrophobicContact CG1-CG2 4.37Å; I477-I789 HydrophobicContact CG2-CG1 4.13Å; A478-I789 HydrophobicContact CB-CD1 3.95Å; A478-I789 HydrophobicContact CB-CG1 3.93Å; N785-I789 WeakPolarHBondContact O-CD1 3.14Å; N785-I789 VanDerWaalsContact O-CG1 3.3Å; N785-I789 WeakPolarHBondContact O-CG1 3.27Å; N785-I789 PolarHBondContact O-N 3.33Å; I787-I789 PolarHBondContact O-N 3.29Å; I789-V791 VanDerWaalsContact C-N 3.31Å; I789-V791 PolarHBondContact O-N 2.78Å; I789-A792 PolarHBondContact O-N 3.35Å; I789-A793 WeakPolarHBondContact O-CB 3.29Å; I789-A793 PolarHBondContact O-N 3.25Å |
| 790 | P | 90.6 | Very high | 84.9 | Confident | 52 Ų | 52 | 55 Ų | 55 | 34% | 0.338 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.5 | -39 | 176.6 | -25 | 34.3 | 0 | 0 | 0 | 113.1 | S786 I787 A793 G794 I795 | S786-P790 WeakPolarHBondContact O-CD 3.43Å; S786-P790 WeakPolarHBondContact O-CG 3.42Å; I787-P790 WeakPolarHBondContact O-CD 3.32Å; P790-A793 PolarHBondContact O-N 2.67Å; P790-G794 PolarHBondContact O-N 3.23Å; P790-I795 HydrophobicContact CB-CD1 4.48Å; P790-I795 HydrophobicContact CB-CG2 3.98Å; P790-I795 WeakPolarHBondContact O-CB 3.45Å; P790-I795 WeakPolarHBondContact O-CG2 3.41Å; P790-I795 PolarHBondContact O-N 2.87Å; P790-I795 VanDerWaalsContact O-N 3.14Å |
| 791 | V | 89.5 | Confident | 84.8 | Confident | 40 Ų | 40 | 56.1 Ų | 56.1 | 24% | 0.242 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.7 | -44.5 | 176.6 | 173.2 | 0 | 0 | 0 | 0 | 110.5 | I787 G788 I789 G794 L796 L804 | I787-V791 HydrophobicContact CG2-CG2 4.37Å; I787-V791 VanDerWaalsContact O-CG2 3.24Å; I787-V791 WeakPolarHBondContact O-CG2 3.42Å; I787-V791 PolarHBondContact O-N 3.45Å; G788-V791 PolarHBondContact O-N 3.11Å; I789-V791 VanDerWaalsContact C-N 3.31Å; I789-V791 PolarHBondContact O-N 2.78Å; V791-G794 PolarHBondContact O-N 3.4Å; V791-L796 HydrophobicContact CB-CD1 4.5Å; V791-L796 HydrophobicContact CG1-CD1 4.04Å; V791-L796 HydrophobicContact CG2-CD1 3.86Å; V791-L796 HydrophobicContact CG2-CG 4.35Å; V791-L804 HydrophobicContact CG1-CB 4.31Å; V791-L804 HydrophobicContact CG1-CD2 4.31Å |
| 792 | A | 87.7 | Confident | 84.8 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.008 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.1 | -33.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | I470 T473 V474 I477 G788 I789 G794 L804 | I470-A792 WeakPolarHBondContact CD1-O 3.19Å; T473-A792 HydrophobicContact CG2-CB 3.61Å; V474-A792 HydrophobicContact CB-CB 4.45Å; V474-A792 HydrophobicContact CG2-CB 3.78Å; I477-A792 HydrophobicContact CB-CB 4.39Å; I477-A792 HydrophobicContact CG2-CB 3.67Å; G788-A792 VanDerWaalsContact O-CB 3.24Å; G788-A792 WeakPolarHBondContact O-CB 3.45Å; G788-A792 PolarHBondContact O-N 3.07Å; I789-A792 PolarHBondContact O-N 3.35Å; A792-G794 PolarHBondContact O-N 3.18Å; A792-L804 HydrophobicContact CB-CD2 4.07Å |
| 793 | A | 89.7 | Confident | 84.9 | Confident | 20 Ų | 20 | 60 Ų | 60 | 17% | 0.165 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -9.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | S451 W455 V474 I789 P790 | S451-A793 WeakPolarHBondContact OG-CB 3.16Å; W455-A793 PolarHBondContact NE1-O 2.87Å; V474-A793 HydrophobicContact CG2-CB 4.11Å; I789-A793 WeakPolarHBondContact O-CB 3.29Å; I789-A793 PolarHBondContact O-N 3.25Å; P790-A793 PolarHBondContact O-N 2.67Å |
| 794 | G | 85.7 | Confident | 84.7 | Confident | 8 Ų | 8 | 57.9 Ų | 57.9 | 8% | 0.082 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 95.4 | 17.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | P790 V791 A792 L796 W797 | P790-G794 PolarHBondContact O-N 3.23Å; V791-G794 PolarHBondContact O-N 3.4Å; A792-G794 PolarHBondContact O-N 3.18Å; G794-L796 PolarHBondContact O-N 3.23Å; G794-L796 VanDerWaalsContact O-N 3.16Å; G794-W797 WeakPolarHBondContact O-CB 3.31Å; G794-W797 PolarHBondContact O-N 3.06Å |
| 795 | I | 87.9 | Confident | 84.4 | Confident | 104 Ų | 104 | 59.4 Ų | 59.4 | 53% | 0.533 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -28 | 179.7 | -158.1 | 170.3 | 0 | 0 | 0 | 113.2 | P790 P798 | P790-I795 HydrophobicContact CB-CD1 4.48Å; P790-I795 HydrophobicContact CB-CG2 3.98Å; P790-I795 WeakPolarHBondContact O-CB 3.45Å; P790-I795 WeakPolarHBondContact O-CG2 3.41Å; P790-I795 PolarHBondContact O-N 2.87Å; P790-I795 VanDerWaalsContact O-N 3.14Å; I795-P798 WeakPolarHBondContact O-CD 3.26Å |
| 796 | L | 86.4 | Confident | 84 | Confident | 80 Ų | 80 | 59.5 Ų | 59.5 | 42% | 0.419 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -8.6 | 177.6 | -67.7 | -177.7 | 0 | 0 | 0 | 113.5 | V791 G794 F799 T800 | V791-L796 HydrophobicContact CB-CD1 4.5Å; V791-L796 HydrophobicContact CG1-CD1 4.04Å; V791-L796 HydrophobicContact CG2-CD1 3.86Å; V791-L796 HydrophobicContact CG2-CG 4.35Å; G794-L796 PolarHBondContact O-N 3.23Å; G794-L796 VanDerWaalsContact O-N 3.16Å; L796-F799 PolarHBondContact O-N 3.21Å; L796-T800 PolarHBondContact O-N 3.01Å; L796-T800 PolarHBondContact O-OG1 3.24Å |
| 797 | W | 83.6 | Confident | 83.4 | Confident | 84 Ų | 84 | 57 Ų | 57 | 32% | 0.318 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.8 | -43.6 | -176.9 | -176.6 | 82.6 | 0 | 0 | 0 | 113.4 | W455 P460 G794 F799 T800 G801 L803 | W455-W797 HydrophobicContact CH2-CB 3.97Å; W455-W797 AromaticContact CH2-CD1 3.83Å; W455-W797 AromaticContact CH2-CD2 3.46Å; W455-W797 HydrophobicContact CH2-CD2 3.46Å; W455-W797 VanDerWaalsContact CH2-CD2 3.46Å; W455-W797 AromaticContact CH2-CE2 3.81Å; W455-W797 AromaticContact CH2-CE3 3.91Å; W455-W797 HydrophobicContact CH2-CE3 3.91Å; W455-W797 AromaticContact CH2-CG 3.47Å; W455-W797 HydrophobicContact CH2-CG 3.47Å; W455-W797 VanDerWaalsContact CH2-CG 3.47Å; W455-W797 HydrophobicContact CZ2-CB 4Å; W455-W797 HydrophobicContact CZ2-CD2 4.25Å; W455-W797 HydrophobicContact CZ2-CG 4.03Å; W455-W797 HydrophobicContact CZ3-CD2 4.29Å; P460-W797 HydrophobicContact CG-CH2 4.19Å; P460-W797 HydrophobicContact CG-CZ2 3.87Å; G794-W797 WeakPolarHBondContact O-CB 3.31Å; G794-W797 PolarHBondContact O-N 3.06Å; W797-F799 PolarHBondContact O-N 2.81Å; W797-F799 VanDerWaalsContact O-N 3.08Å; W797-T800 PolarHBondContact O-N 2.93Å; W797-G801 PolarHBondContact NE1-O 3.42Å; W797-G801 WeakPolarHBondContact O-CA 3.37Å; W797-G801 PolarHBondContact O-N 2.94Å; W797-L803 HydrophobicContact CB-CD2 3.87Å; W797-L803 HydrophobicContact CG-CD2 4.01Å; W797-L803 HydrophobicContact CG-CG 4.48Å |
| 798 | P | 81.2 | Confident | 83 | Confident | 94 Ų | 94 | 55.6 Ų | 55.6 | 61% | 0.61 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -59.8 | -23.7 | 177.7 | -24.3 | 35.2 | 0 | 0 | 0 | 114 | I795 | I795-P798 WeakPolarHBondContact O-CD 3.26Å |
| 799 | F | 85.2 | Confident | 82.5 | Confident | 173 Ų | 173 | 55.1 Ų | 55.1 | 76% | 0.759 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -97.3 | -35 | -177.5 | -60.2 | -77 | 0 | 0 | 0 | 113.3 | L796 W797 | L796-F799 PolarHBondContact O-N 3.21Å; W797-F799 PolarHBondContact O-N 2.81Å; W797-F799 VanDerWaalsContact O-N 3.08Å |
| 800 | T | 82.2 | Confident | 81.7 | Confident | 74 Ų | 74 | 54.5 Ų | 54.5 | 45% | 0.454 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -110.9 | -16.1 | -172 | 63.2 | 0 | 0 | 0 | 0 | 113.7 | L796 W797 T802 | L796-T800 PolarHBondContact O-N 3.01Å; L796-T800 PolarHBondContact O-OG1 3.24Å; W797-T800 PolarHBondContact O-N 2.93Å; T800-T802 WeakPolarHBondContact CB-OG1 3.19Å; T800-T802 PolarHBondContact O-N 3.37Å; T800-T802 VanDerWaalsContact O-N 3.15Å; T800-T802 PolarHBondContact OG1-N 3.48Å; T800-T802 PolarHBondContact OG1-OG1 3.23Å |
| 801 | G | 77.7 | Confident | 81 | Confident | 54 Ų | 54 | 53.9 Ų | 53.9 | 56% | 0.557 | 31% | 0.312 | S | S | * | . | S | Bend | trans | 66.2 | 3.9 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | W797 | W797-G801 PolarHBondContact NE1-O 3.42Å; W797-G801 WeakPolarHBondContact O-CA 3.37Å; W797-G801 PolarHBondContact O-N 2.94Å |
| 802 | T | 77.8 | Confident | 80.4 | Confident | 94 Ų | 94 | 53.1 Ų | 53.1 | 58% | 0.577 | 31% | 0.31 | S | S | * | . | trans | -111.7 | 141.1 | -172.8 | 65.3 | 0 | 0 | 0 | 0 | 111.3 | T800 | T800-T802 WeakPolarHBondContact CB-OG1 3.19Å; T800-T802 PolarHBondContact O-N 3.37Å; T800-T802 VanDerWaalsContact O-N 3.15Å; T800-T802 PolarHBondContact OG1-N 3.48Å; T800-T802 PolarHBondContact OG1-OG1 3.23Å | ||
| 803 | L | 81.1 | Confident | 79.7 | Confident | 42 Ų | 42 | 53.3 Ų | 53.3 | 22% | 0.22 | 31% | 0.311 | C | S | . | . | trans | -104.2 | 148.8 | 171.2 | -70.1 | 179.8 | 0 | 0 | 0 | 110.2 | W455 Y466 I470 W797 N805 | W455-L803 HydrophobicContact CH2-CD1 4.02Å; W455-L803 HydrophobicContact CH2-CD2 3.74Å; W455-L803 HydrophobicContact CH2-CG 4.28Å; W455-L803 HydrophobicContact CZ2-CD2 3.68Å; W455-L803 HydrophobicContact CZ3-CD1 4.22Å; Y466-L803 HydrophobicContact CD1-CD1 3.43Å; Y466-L803 VanDerWaalsContact CD1-CD1 3.43Å; Y466-L803 HydrophobicContact CE1-CD1 3.7Å; I470-L803 HydrophobicContact CD1-CD1 4.1Å; I470-L803 HydrophobicContact CD1-CD2 3.64Å; I470-L803 HydrophobicContact CD1-CG 4.44Å; I470-L803 HydrophobicContact CG1-CD1 4.43Å; W797-L803 HydrophobicContact CB-CD2 3.87Å; W797-L803 HydrophobicContact CG-CD2 4.01Å; W797-L803 HydrophobicContact CG-CG 4.48Å; L803-N805 PolarHBondContact O-N 3.3Å | ||
| 804 | L | 80 | Confident | 78.8 | Confident | 37 Ų | 37 | 52.8 Ų | 52.8 | 19% | 0.194 | 31% | 0.306 | C | S | . | . | trans | -67.7 | 120.3 | 176.2 | -175.3 | 68.6 | 0 | 0 | 0 | 109.5 | T473 I477 V791 A792 V808 A809 | T473-L804 HydrophobicContact CG2-CB 3.95Å; T473-L804 HydrophobicContact CG2-CD2 3.84Å; T473-L804 HydrophobicContact CG2-CG 3.93Å; T473-L804 VanDerWaalsContact CG2-O 3.32Å; T473-L804 WeakPolarHBondContact CG2-O 3.32Å; T473-L804 PolarHBondContact OG1-O 3.23Å; I477-L804 HydrophobicContact CD1-CD2 4.02Å; I477-L804 HydrophobicContact CG1-CD2 4.34Å; V791-L804 HydrophobicContact CG1-CB 4.31Å; V791-L804 HydrophobicContact CG1-CD2 4.31Å; A792-L804 HydrophobicContact CB-CD2 4.07Å; L804-V808 HydrophobicContact CD1-CB 4.25Å; L804-V808 HydrophobicContact CD1-CG1 3.91Å; L804-A809 HydrophobicContact CD2-CB 4.13Å | ||
| 805 | N | 75.7 | Confident | 78.2 | Confident | 84 Ų | 84 | 57.5 Ų | 57.5 | 45% | 0.449 | 33% | 0.329 | S | S | . | . | trans | -67.6 | 129.9 | 177.8 | -176.9 | -36.4 | 0 | 0 | 0 | 109.8 | L803 V807 V808 A809 | L803-N805 PolarHBondContact O-N 3.3Å; N805-V807 PolarHBondContact O-N 3.3Å; N805-V807 VanDerWaalsContact O-N 3.09Å; N805-V807 WeakPolarHBondContact OD1-CB 3.41Å; N805-V807 PolarHBondContact OD1-N 3.14Å; N805-V808 HydrophobicContact CB-CB 4.36Å; N805-V808 HydrophobicContact CB-CG2 3.98Å; N805-V808 WeakPolarHBondContact O-CB 3.2Å; N805-V808 PolarHBondContact O-N 3.02Å; N805-A809 PolarHBondContact O-N 3.04Å | ||
| 806 | P | 73 | Confident | 77.5 | Confident | 8 Ų | 8 | 53 Ų | 53 | 5% | 0.052 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -49 | -35 | 175.6 | -26.5 | 29.7 | 0 | 0 | 0 | 114.5 | V469 T473 I476 A809 G810 | V469-P806 HydrophobicContact CG1-CG 4.45Å; T473-P806 WeakPolarHBondContact OG1-CD 3.19Å; T473-P806 VanDerWaalsContact OG1-CG 3.31Å; T473-P806 WeakPolarHBondContact OG1-CG 3.37Å; I476-P806 HydrophobicContact CD1-CB 3.89Å; P806-A809 WeakPolarHBondContact O-CB 3.39Å; P806-A809 PolarHBondContact O-N 3.12Å; P806-G810 PolarHBondContact O-N 2.92Å |
| 807 | V | 73 | Confident | 76.5 | Confident | 14 Ų | 14 | 49.4 Ų | 49.4 | 9% | 0.085 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -69.6 | -39.6 | 178.6 | -177.2 | 0 | 0 | 0 | 0 | 111.5 | M200 M291 N805 A809 G810 A811 | M200-V807 HydrophobicContact SD-CG1 3.69Å; M291-V807 HydrophobicContact CB-CG1 4.35Å; M291-V807 HydrophobicContact CB-CG2 4.34Å; M291-V807 HydrophobicContact CE-CG1 4.41Å; M291-V807 HydrophobicContact CG-CG1 4.29Å; M291-V807 HydrophobicContact CG-CG2 4.46Å; N805-V807 PolarHBondContact O-N 3.3Å; N805-V807 VanDerWaalsContact O-N 3.09Å; N805-V807 WeakPolarHBondContact OD1-CB 3.41Å; N805-V807 PolarHBondContact OD1-N 3.14Å; V807-A809 VanDerWaalsContact C-N 3.31Å; V807-G810 PolarHBondContact O-N 2.9Å; V807-A811 WeakPolarHBondContact O-CB 3.36Å; V807-A811 PolarHBondContact O-N 3.03Å |
| 808 | V | 79.3 | Confident | 75.9 | Confident | 80 Ų | 80 | 48.3 Ų | 48.3 | 49% | 0.485 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.6 | -40.8 | 174.3 | 176.9 | 0 | 0 | 0 | 0 | 109.8 | L804 N805 G810 A811 A812 | L804-V808 HydrophobicContact CD1-CB 4.25Å; L804-V808 HydrophobicContact CD1-CG1 3.91Å; N805-V808 HydrophobicContact CB-CB 4.36Å; N805-V808 HydrophobicContact CB-CG2 3.98Å; N805-V808 WeakPolarHBondContact O-CB 3.2Å; N805-V808 PolarHBondContact O-N 3.02Å; V808-G810 PolarHBondContact O-N 3.43Å; V808-A811 PolarHBondContact O-N 3.49Å; V808-A812 WeakPolarHBondContact O-CB 3.48Å; V808-A812 PolarHBondContact O-N 3.37Å |
| 809 | A | 76.4 | Confident | 75.4 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.7 | -45.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | T473 I476 I477 Y784 L804 N805 P806 V807 M813 | T473-A809 HydrophobicContact CG2-CB 3.96Å; I476-A809 HydrophobicContact CB-CB 4.47Å; I476-A809 HydrophobicContact CG2-CB 4.01Å; I477-A809 HydrophobicContact CB-CB 3.95Å; I477-A809 HydrophobicContact CD1-CB 3.57Å; I477-A809 HydrophobicContact CG1-CB 4.33Å; Y784-A809 PolarHBondContact OH-O 3.21Å; L804-A809 HydrophobicContact CD2-CB 4.13Å; N805-A809 PolarHBondContact O-N 3.04Å; P806-A809 WeakPolarHBondContact O-CB 3.39Å; P806-A809 PolarHBondContact O-N 3.12Å; V807-A809 VanDerWaalsContact C-N 3.31Å; A809-M813 WeakPolarHBondContact O-CB 3.39Å; A809-M813 PolarHBondContact O-N 2.9Å |
| 810 | G | 71.4 | Confident | 74.5 | Confident | 2 Ų | 2 | 39 Ų | 39 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.5 | -40.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | P806 V807 V808 M813 A814 | P806-G810 PolarHBondContact O-N 2.92Å; V807-G810 PolarHBondContact O-N 2.9Å; V808-G810 PolarHBondContact O-N 3.43Å; G810-M813 PolarHBondContact O-N 3.45Å; G810-A814 PolarHBondContact O-N 2.91Å; G810-A814 VanDerWaalsContact O-N 3.11Å |
| 811 | A | 75.9 | Confident | 73.6 | Confident | 39 Ų | 39 | 37 Ų | 37 | 32% | 0.322 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -67.1 | -42.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L295 V807 V808 M813 A814 L815 | L295-A811 HydrophobicContact CD1-CB 4.4Å; V807-A811 WeakPolarHBondContact O-CB 3.36Å; V807-A811 PolarHBondContact O-N 3.03Å; V808-A811 PolarHBondContact O-N 3.49Å; A811-M813 VanDerWaalsContact C-N 3.32Å; A811-M813 PolarHBondContact O-N 3.02Å; A811-A814 WeakPolarHBondContact O-CB 3.23Å; A811-A814 PolarHBondContact O-N 3.26Å; A811-L815 WeakPolarHBondContact O-CG 3.39Å; A811-L815 PolarHBondContact O-N 2.79Å |
| 812 | A | 78 | Confident | 72.9 | Confident | 24 Ų | 24 | 40.2 Ų | 40.2 | 20% | 0.198 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -69.8 | -31.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y784 V808 L815 S816 | Y784-A812 HydrophobicContact CE2-CB 3.69Å; Y784-A812 WeakPolarHBondContact OH-CA 3.43Å; Y784-A812 WeakPolarHBondContact OH-CB 3.39Å; Y784-A812 PolarHBondContact OH-O 2.9Å; V808-A812 WeakPolarHBondContact O-CB 3.48Å; V808-A812 PolarHBondContact O-N 3.37Å; A812-L815 PolarHBondContact O-N 3.11Å; A812-S816 WeakPolarHBondContact O-CB 3.48Å; A812-S816 PolarHBondContact O-N 3.48Å |
| 813 | M | 73.2 | Confident | 71.7 | Confident | 5 Ų | 5 | 39.5 Ų | 39.5 | 3% | 0.025 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.1 | -42 | 168.7 | 174.8 | -145.3 | 72 | 0 | 0 | 111.9 | I296 C479 Y784 A809 G810 A811 S816 S817 | I296-M813 HydrophobicContact CB-CE 4.47Å; I296-M813 HydrophobicContact CG1-CE 3.67Å; I296-M813 HydrophobicContact CG1-SD 4Å; C479-M813 HydrophobicContact CB-CG 3.89Å; C479-M813 HydrophobicContact CB-SD 3.63Å; Y784-M813 PolarHBondContact OH-N 3.22Å; A809-M813 WeakPolarHBondContact O-CB 3.39Å; A809-M813 PolarHBondContact O-N 2.9Å; G810-M813 PolarHBondContact O-N 3.45Å; A811-M813 VanDerWaalsContact C-N 3.32Å; A811-M813 PolarHBondContact O-N 3.02Å; M813-S816 PolarHBondContact O-N 3.27Å; M813-S817 PolarHBondContact O-N 2.95Å; M813-S817 VanDerWaalsContact O-N 3.17Å; M813-S817 PolarHBondContact O-OG 3.23Å |
| 814 | A | 69.6 | Low | 70 | Confident | 9 Ų | 9 | 40 Ų | 40 | 7% | 0.074 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64 | -40.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | G810 A811 S817 I818 | G810-A814 PolarHBondContact O-N 2.91Å; G810-A814 VanDerWaalsContact O-N 3.11Å; A811-A814 WeakPolarHBondContact O-CB 3.23Å; A811-A814 PolarHBondContact O-N 3.26Å; A814-S817 WeakPolarHBondContact O-CB 3.32Å; A814-S817 PolarHBondContact O-N 3.23Å; A814-I818 WeakPolarHBondContact O-CG1 3.47Å; A814-I818 PolarHBondContact O-N 3.16Å; A814-I818 VanDerWaalsContact O-N 3.17Å |
| 815 | L | 74.3 | Confident | 67.9 | Low | 107 Ų | 107 | 42.2 Ų | 42.2 | 56% | 0.56 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -64.5 | -40.4 | 174.8 | -72.9 | 168.8 | 0 | 0 | 0 | 112.6 | A811 A812 S817 I818 T819 | A811-L815 WeakPolarHBondContact O-CG 3.39Å; A811-L815 PolarHBondContact O-N 2.79Å; A812-L815 PolarHBondContact O-N 3.11Å; L815-S817 VanDerWaalsContact C-N 3.25Å; L815-S817 PolarHBondContact O-N 2.94Å; L815-I818 HydrophobicContact CD2-CD1 4.33Å; L815-I818 WeakPolarHBondContact O-CA 3.44Å; L815-I818 WeakPolarHBondContact O-CB 3.48Å; L815-I818 PolarHBondContact O-N 3.33Å; L815-T819 PolarHBondContact O-N 3.16Å |
| 816 | S | 72 | Confident | 65.7 | Low | 8 Ų | 8 | 44 Ų | 44 | 6% | 0.056 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.5 | -37.8 | 173.9 | -179.4 | 0 | 0 | 0 | 0 | 112 | A482 A812 M813 I818 T819 V820 | A482-S816 WeakPolarHBondContact CB-OG 3.22Å; A812-S816 WeakPolarHBondContact O-CB 3.48Å; A812-S816 PolarHBondContact O-N 3.48Å; M813-S816 PolarHBondContact O-N 3.27Å; S816-I818 VanDerWaalsContact C-N 3.33Å; S816-I818 PolarHBondContact O-N 2.95Å; S816-T819 PolarHBondContact O-N 3.27Å; S816-T819 PolarHBondContact O-OG1 2.97Å; S816-V820 PolarHBondContact O-N 3.2Å |
| 817 | S | 67 | Low | 63.7 | Low | 5 Ų | 5 | 47 Ų | 47 | 4% | 0.035 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.9 | -36.3 | 174 | -55 | 0 | 0 | 0 | 0 | 111.8 | M813 A814 L815 V821 | M813-S817 PolarHBondContact O-N 2.95Å; M813-S817 VanDerWaalsContact O-N 3.17Å; M813-S817 PolarHBondContact O-OG 3.23Å; A814-S817 WeakPolarHBondContact O-CB 3.32Å; A814-S817 PolarHBondContact O-N 3.23Å; L815-S817 VanDerWaalsContact C-N 3.25Å; L815-S817 PolarHBondContact O-N 2.94Å; S817-V821 VanDerWaalsContact O-CG2 3.25Å; S817-V821 WeakPolarHBondContact O-CG2 3.17Å; S817-V821 PolarHBondContact O-N 3.02Å |
| 818 | I | 69.5 | Low | 61.6 | Low | 62 Ų | 62 | 48.5 Ų | 48.5 | 32% | 0.318 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -68.3 | -39 | 177.1 | -66 | 164.7 | 0 | 0 | 0 | 111.6 | L302 A814 L815 S816 V820 V821 N822 | L302-I818 HydrophobicContact CD1-CD1 4.46Å; L302-I818 HydrophobicContact CD1-CG1 4.04Å; A814-I818 WeakPolarHBondContact O-CG1 3.47Å; A814-I818 PolarHBondContact O-N 3.16Å; A814-I818 VanDerWaalsContact O-N 3.17Å; L815-I818 HydrophobicContact CD2-CD1 4.33Å; L815-I818 WeakPolarHBondContact O-CA 3.44Å; L815-I818 WeakPolarHBondContact O-CB 3.48Å; L815-I818 PolarHBondContact O-N 3.33Å; S816-I818 VanDerWaalsContact C-N 3.33Å; S816-I818 PolarHBondContact O-N 2.95Å; I818-V820 VanDerWaalsContact C-N 3.31Å; I818-V820 PolarHBondContact O-N 3.18Å; I818-V821 PolarHBondContact O-N 3.27Å; I818-N822 WeakPolarHBondContact O-CB 3.45Å; I818-N822 PolarHBondContact O-N 3.15Å |
| 819 | T | 70.3 | Confident | 59.4 | Low | 70 Ų | 70 | 50.3 Ų | 50.3 | 43% | 0.429 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.7 | -35.5 | -180 | 56.5 | 0 | 0 | 0 | 0 | 112.1 | L815 S816 Q823 | L815-T819 PolarHBondContact O-N 3.16Å; S816-T819 PolarHBondContact O-N 3.27Å; S816-T819 PolarHBondContact O-OG1 2.97Å; T819-Q823 WeakPolarHBondContact O-CB 3.33Å; T819-Q823 VanDerWaalsContact O-CG 3.28Å; T819-Q823 WeakPolarHBondContact O-CG 3.5Å; T819-Q823 PolarHBondContact O-N 3.14Å; T819-Q823 PolarHBondContact O-NE2 2.83Å |
| 820 | V | 67.5 | Low | 57.3 | Low | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.006 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.4 | -39.6 | 172.6 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | A482 L485 A486 N777 S816 I818 | A482-V820 HydrophobicContact CB-CG2 3.96Å; L485-V820 HydrophobicContact CB-CG1 4.29Å; A486-V820 HydrophobicContact CB-CG1 4.17Å; N777-V820 HydrophobicContact CB-CG1 4.12Å; N777-V820 HydrophobicContact CB-CG2 4.34Å; S816-V820 PolarHBondContact O-N 3.2Å; I818-V820 VanDerWaalsContact C-N 3.31Å; I818-V820 PolarHBondContact O-N 3.18Å |
| 821 | V | 63.9 | Low | 55.2 | Low | 33 Ų | 33 | 61.9 Ų | 61.9 | 20% | 0.2 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -75.7 | -32.8 | -180 | 174.4 | 0 | 0 | 0 | 0 | 113.1 | A306 S817 I818 L824 | A306-V821 HydrophobicContact CB-CG1 4.48Å; S817-V821 VanDerWaalsContact O-CG2 3.25Å; S817-V821 WeakPolarHBondContact O-CG2 3.17Å; S817-V821 PolarHBondContact O-N 3.02Å; I818-V821 PolarHBondContact O-N 3.27Å; V821-L824 WeakPolarHBondContact O-CD1 3.1Å |
| 822 | N | 62.3 | Low | 53 | Low | 121 Ų | 121 | 64.5 Ų | 64.5 | 65% | 0.647 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -87.9 | -13.9 | -177.9 | -86.3 | -3.6 | 0 | 0 | 0 | 114.1 | I818 L824 | I818-N822 WeakPolarHBondContact O-CB 3.45Å; I818-N822 PolarHBondContact O-N 3.15Å; N822-L824 PolarHBondContact O-N 3.45Å; N822-L824 VanDerWaalsContact O-N 3.15Å |
| 823 | Q | 53.2 | Low | 50.7 | Low | 78 Ų | 78 | 72.4 Ų | 72.4 | 36% | 0.364 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -0.4 | 171.8 | -83.3 | 178.3 | 82.7 | 0 | 0 | 113.2 | N773 T819 | N773-Q823 PolarHBondContact ND2-O 3Å; T819-Q823 WeakPolarHBondContact O-CB 3.33Å; T819-Q823 VanDerWaalsContact O-CG 3.28Å; T819-Q823 WeakPolarHBondContact O-CG 3.5Å; T819-Q823 PolarHBondContact O-N 3.14Å; T819-Q823 PolarHBondContact O-NE2 2.83Å |
| 824 | L | 44.9 | Very low | 48.5 | Very low | 54 Ų | 54 | 77.8 Ų | 77.8 | 28% | 0.283 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -64.8 | 123.3 | 160.5 | -83.6 | 127.4 | 0 | 0 | 0 | 109.4 | V821 N822 P826 | V821-L824 WeakPolarHBondContact O-CD1 3.1Å; N822-L824 PolarHBondContact O-N 3.45Å; N822-L824 VanDerWaalsContact O-N 3.15Å; L824-P826 WeakPolarHBondContact O-CD 3.41Å; L824-P826 VanDerWaalsContact O-N 3.09Å |
| 825 | P | 34.7 | Very low | 46.6 | Very low | 83 Ų | 83 | 86.8 Ų | 86.8 | 54% | 0.539 | 47% | 0.474 | S | S | . | . | trans | -60.3 | 119.2 | 172.9 | 8.5 | -5.7 | 0 | 0 | 0 | 108.5 | G827 | P825-G827 VanDerWaalsContact C-N 3.28Å; P825-G827 PolarHBondContact O-N 3.4Å | ||
| 826 | P | 29.6 | Very low | 44.5 | Very low | 122 Ų | 122 | 90.4 Ų | 90.4 | 79% | 0.792 | 48% | 0.482 | S | S | * | . | trans | -76.9 | 80 | 179.2 | 30.4 | -31.9 | 0 | 0 | 0 | 108.6 | L824 G828 | L824-P826 WeakPolarHBondContact O-CD 3.41Å; L824-P826 VanDerWaalsContact O-N 3.09Å; P826-G828 WeakPolarHBondContact O-CA 3.32Å; P826-G828 PolarHBondContact O-N 3.32Å | ||
| 827 | G | 31.8 | Very low | 42.5 | Very low | 71 Ų | 71 | 97.9 Ų | 97.9 | 73% | 0.732 | 52% | 0.515 | S | S | * | . | S | Bend | trans | 49.9 | 20.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | P825 A830 | P825-G827 VanDerWaalsContact C-N 3.28Å; P825-G827 PolarHBondContact O-N 3.4Å; G827-A830 WeakPolarHBondContact O-CB 3.41Å |
| 828 | G | 28.8 | Very low | 40.6 | Very low | 45 Ų | 45 | 106.5 Ų | 106.5 | 46% | 0.464 | 55% | 0.552 | S | S | . | * | G | 310 helix | trans | -100.2 | -9.8 | -157.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | P826 A830 K831 | P826-G828 WeakPolarHBondContact O-CA 3.32Å; P826-G828 PolarHBondContact O-N 3.32Å; G828-A830 PolarHBondContact O-N 3.42Å; G828-K831 PolarHBondContact O-N 3Å |
| 829 | L | 33.6 | Very low | 38.7 | Very low | 117 Ų | 117 | 111.2 Ų | 111.2 | 61% | 0.613 | 58% | 0.577 | S | S | * | * | G | 310 helix | trans | -83.3 | 8.7 | 165.4 | -73.1 | 169.3 | 0 | 0 | 0 | 112.5 | K831 N832 | L829-K831 PolarHBondContact O-N 2.84Å; L829-N832 PolarHBondContact O-N 3.15Å |
| 830 | A | 31.1 | Very low | 36.8 | Very low | 66 Ų | 66 | 112.3 Ų | 112.3 | 55% | 0.545 | 59% | 0.588 | S | S | . | * | G | 310 helix | trans | -61.4 | -15.5 | 158.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | G827 G828 N832 R833 | G827-A830 WeakPolarHBondContact O-CB 3.41Å; G828-A830 PolarHBondContact O-N 3.42Å; A830-N832 VanDerWaalsContact C-N 3.28Å; A830-N832 PolarHBondContact O-N 3.36Å; A830-R833 PolarHBondContact O-N 3.11Å |
| 831 | K | 28.2 | Very low | 34.9 | Very low | 179 Ų | 179 | 118.5 Ų | 118.5 | 78% | 0.778 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -76.1 | -5.8 | 168.8 | -91.2 | -174.2 | 175 | -178.2 | 0 | 115.2 | G828 L829 | G828-K831 PolarHBondContact O-N 3Å; L829-K831 PolarHBondContact O-N 2.84Å |
| 832 | N | 28.9 | Very low | 33.5 | Very low | 94 Ų | 94 | 123.9 Ų | 123.9 | 50% | 0.503 | 66% | 0.656 | S | S | . | * | G | 310 helix | trans | -106.5 | 7.3 | 169.4 | -87.5 | 5.2 | 0 | 0 | 0 | 114.8 | L829 A830 L834 W835 | L829-N832 PolarHBondContact O-N 3.15Å; A830-N832 VanDerWaalsContact C-N 3.28Å; A830-N832 PolarHBondContact O-N 3.36Å; N832-L834 PolarHBondContact O-N 3.44Å; N832-W835 PolarHBondContact O-N 2.82Å; N832-W835 PolarHBondContact OD1-NE1 3.39Å |
| 833 | R | 30.2 | Very low | 32.1 | Very low | 190 Ų | 190 | 126.5 Ų | 126.5 | 72% | 0.717 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -65.6 | -11.8 | 164.1 | -93.6 | -174.7 | -177.6 | -179 | 0.8 | 113.3 | A830 | A830-R833 PolarHBondContact O-N 3.11Š|
| 834 | L | 27.7 | Very low | 31.1 | Very low | 119 Ų | 119 | 131.5 Ų | 131.5 | 62% | 0.623 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -82 | -6.4 | 172.9 | -80.7 | 157.5 | 0 | 0 | 0 | 114.3 | N832 | N832-L834 PolarHBondContact O-N 3.44Š|
| 835 | W | 28.9 | Very low | 30.4 | Very low | 197 Ų | 197 | 134.8 Ų | 134.8 | 75% | 0.746 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -90.1 | -8 | 179.7 | -77.3 | 89.6 | 0 | 0 | 0 | 114.5 | N832 | N832-W835 PolarHBondContact O-N 2.82Å; N832-W835 PolarHBondContact OD1-NE1 3.39Å |
| 836 | Y | 29.5 | Very low | 30.1 | Very low | 184 Ų | 184 | 136.3 Ų | 136.3 | 72% | 0.722 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -100 | 1.5 | 172.4 | -109.8 | -89.1 | 0 | 0 | 0 | 113.8 | ||
| 837 | Q | 30.7 | Very low | 30.1 | Very low | 164 Ų | 164 | 143.4 Ų | 143.4 | 77% | 0.766 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -112.6 | 19.6 | -178.1 | -118.4 | 177 | 3.8 | 0 | 0 | 113.3 | ||
| 838 | K | 28.2 | Very low | 30 | Very low | 186 Ų | 186 | 147.1 Ų | 147.1 | 81% | 0.809 | 75% | 0.751 | S | S | * | * | trans | -124.4 | 23 | -177 | -105 | -171.8 | 179.2 | -172.7 | 0 | 114.9 | ||||
| 839 | L | 29.4 | Very low | 30.1 | Very low | 161 Ų | 161 | 152.4 Ų | 152.4 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -101.6 | 116.1 | 163.4 | -73.5 | 159.7 | 0 | 0 | 0 | 107.4 | ||
| 840 | S | 28.9 | Very low | 29.9 | Very low | 94 Ų | 94 | 154.4 Ų | 154.4 | 66% | 0.657 | 77% | 0.774 | S | S | * | * | trans | -14.1 | 128.8 | -171.4 | -70.2 | 0 | 0 | 0 | 0 | 120.5 | D842 | S840-D842 VanDerWaalsContact C-N 3.3Å; S840-D842 PolarHBondContact O-N 3.08Å | ||
| 841 | P | 29.1 | Very low | 29.8 | Very low | 131 Ų | 131 | 159.6 Ų | 159.6 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -81.3 | 14.4 | 160.1 | -7.6 | 26.1 | 0 | 0 | 0 | 115.7 | ||
| 842 | D | 33.5 | Very low | 30 | Very low | 145 Ų | 145 | 158.4 Ų | 158.4 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | trans | -109.7 | 14.8 | -165.8 | -75.9 | -30.4 | 0 | 0 | 0 | 116.2 | S840 | S840-D842 VanDerWaalsContact C-N 3.3Å; S840-D842 PolarHBondContact O-N 3.08Å | ||
| 843 | E | 33.3 | Very low | 30 | Very low | 176 Ų | 176 | 162.7 Ų | 162.7 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | trans | -136.2 | 68.8 | 179.2 | -69.8 | -176 | 148.9 | 0 | 0 | 113 | ||||
| 844 | M | 31.4 | Very low | 30 | Very low | 183 Ų | 183 | 160.7 Ų | 160.7 | 90% | 0.901 | 81% | 0.814 | S | S | * | * | trans | -139.4 | 120.6 | 150 | -73.9 | -165.5 | 92.2 | 0 | 0 | 110.1 | ||||
| 845 | P | 31.5 | Very low | 30.2 | Very low | 123 Ų | 123 | 163.9 Ų | 163.9 | 80% | 0.799 | 83% | 0.828 | S | S | * | * | trans | -74.5 | 143.3 | 173.5 | 31 | -30.6 | 0 | 0 | 0 | 110.3 | Q847 | P845-Q847 PolarHBondContact O-N 3.37Š| ||
| 846 | S | 27.7 | Very low | 30.3 | Very low | 116 Ų | 116 | 161.2 Ų | 161.2 | 81% | 0.811 | 84% | 0.835 | S | S | * | * | trans | -59.2 | 112.9 | 171.9 | 54 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 847 | Q | 30.3 | Very low | 30.4 | Very low | 271 Ų | 271 | 159.1 Ų | 159.1 | 100% | 1.266 | 85% | 0.846 | S | S | * | * | trans | -154.8 | 0 | 141.3 | -76.8 | -152.7 | -9.6 | 0 | 0 | 109.7 | P845 | P845-Q847 PolarHBondContact O-N 3.37Š|
Retrieved 847 of 847 residues in 439.1 ms
(Link to these results)