| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.3 | Very low | 78.3 | Confident | 245 Ų | 245 | 85.4 Ų | 85.4 | 100% | 1.207 | 47% | 0.474 | S | S | * | . | 0 | 118.4 | 0 | -70.6 | -172.4 | -78.2 | 0 | 0 | 107.4 | A3 | M1-A3 PolarHBondContact O-N 2.65Š| |||
| 2 | V | 38.8 | Very low | 79.7 | Confident | 143 Ų | 143 | 86.5 Ų | 86.5 | 87% | 0.867 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -69 | 124.9 | 172.9 | -177.4 | 0 | 0 | 0 | 0 | 106.4 | Q4 | V2-Q4 PolarHBondContact O-N 3.27Š|
| 3 | A | 54.5 | Low | 81 | Confident | 84 Ų | 84 | 87.7 Ų | 87.7 | 69% | 0.694 | 47% | 0.467 | S | S | * | . | P | Polyproline II helix | trans | -55.2 | 132.4 | 178 | 0 | 0 | 0 | 0 | 0 | 109.4 | M1 I5 | M1-A3 PolarHBondContact O-N 2.65Å; A3-I5 PolarHBondContact O-N 3.47Å |
| 4 | Q | 69.5 | Low | 82.2 | Confident | 164 Ų | 164 | 81.4 Ų | 81.4 | 77% | 0.766 | 43% | 0.433 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 118 | 178.8 | -173 | 173.5 | 8.7 | 0 | 0 | 108.7 | V2 H6 | V2-Q4 PolarHBondContact O-N 3.27Å; Q4-H6 PolarHBondContact O-N 2.64Å |
| 5 | I | 85.3 | Confident | 83 | Confident | 67 Ų | 67 | 76.3 Ų | 76.3 | 34% | 0.344 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -77.4 | 117.6 | 177 | -64.8 | -179.2 | 0 | 0 | 0 | 108.1 | A3 S121 | A3-I5 PolarHBondContact O-N 3.47Å; I5-S121 WeakPolarHBondContact CD1-OG 3.44Å |
| 6 | H | 93.1 | Very high | 83.7 | Confident | 124 Ų | 124 | 76.3 Ų | 76.3 | 57% | 0.574 | 41% | 0.407 | S | S | * | . | P | Polyproline II helix | trans | -74.8 | 135.3 | 176 | -62.4 | -74.1 | 0 | 0 | 0 | 110.1 | Q4 V8 S123 | Q4-H6 PolarHBondContact O-N 2.64Å; H6-V8 WeakPolarHBondContact CB-O 3.32Å; H6-V8 PolarHBondContact O-N 3.35Å; H6-S123 WeakPolarHBondContact O-CB 2.96Å; H6-S123 PolarHBondContact O-OG 3.36Å |
| 7 | A | 96.1 | Very high | 84.2 | Confident | 10 Ų | 10 | 72.1 Ų | 72.1 | 8% | 0.083 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -68.5 | -16.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | W111 S123 V124 L256 | A7-W111 HydrophobicContact CB-CZ2 4.22Å; A7-S123 CarbonylContact O-C 3.59Å; A7-S123 WeakPolarHBondContact O-CA 3.46Å; A7-V124 PolarHBondContact O-N 2.76Å; A7-L256 HydrophobicContact CB-CD1 3.62Å |
| 8 | V | 97.7 | Very high | 84.6 | Confident | 23 Ų | 23 | 70.1 Ų | 70.1 | 14% | 0.139 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 134.3 | 175.6 | 176.5 | 0 | 0 | 0 | 0 | 108.5 | H6 V124 D126 Y220 L256 | H6-V8 WeakPolarHBondContact CB-O 3.32Å; H6-V8 PolarHBondContact O-N 3.35Å; V8-V124 CarbonylContact C-O 3.21Å; V8-V124 VanDerWaalsContact CA-O 3.29Å; V8-V124 WeakPolarHBondContact CA-O 3.5Å; V8-D126 HydrophobicContact CG1-CB 3.44Å; V8-D126 VanDerWaalsContact CG1-CB 3.44Å; V8-Y220 HydrophobicContact CG2-CD2 4.27Å; V8-L256 HydrophobicContact CG2-CD1 4.22Å; V8-L256 HydrophobicContact CG2-CD2 4.08Å; V8-L256 HydrophobicContact CG2-CG 4.39Å |
| 9 | V | 97.9 | Very high | 84.8 | Confident | 15 Ų | 15 | 74.5 Ų | 74.5 | 9% | 0.091 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 149 | 178.2 | -66.3 | 0 | 0 | 0 | 0 | 110.6 | W13 V95 V124 L125 D126 | V9-W13 HydrophobicContact CB-CD2 4.27Å; V9-W13 HydrophobicContact CB-CE3 3.79Å; V9-W13 HydrophobicContact CB-CZ3 4.3Å; V9-W13 HydrophobicContact CG1-CD2 4.35Å; V9-W13 HydrophobicContact CG1-CE3 4.07Å; V9-W13 HydrophobicContact CG1-CZ3 4.27Å; V9-W13 HydrophobicContact CG2-CE3 3.99Å; V9-W13 HydrophobicContact CG2-CZ3 4.18Å; V9-V95 HydrophobicContact CG2-CG1 3.75Å; V9-V95 HydrophobicContact CG2-CG2 4.13Å; V9-V124 PolarHBondContact N-O 3.22Å; V9-L125 HydrophobicContact CG2-CD1 4.38Å; V9-D126 PolarHBondContact O-N 2.82Å |
| 10 | S | 97.3 | Very high | 84.9 | Confident | 59 Ų | 59 | 75.4 Ų | 75.4 | 41% | 0.413 | 40% | 0.404 | S | S | . | . | trans | -81.8 | 155.5 | -179.3 | 67.7 | 0 | 0 | 0 | 0 | 112.9 | Q12 W13 L14 | S10-Q12 VanDerWaalsContact C-N 3.27Å; S10-Q12 PolarHBondContact O-N 2.7Å; S10-W13 WeakPolarHBondContact O-CB 3.36Å; S10-W13 PolarHBondContact O-N 3.49Å; S10-W13 VanDerWaalsContact O-N 3.15Å; S10-W13 WeakPolarHBondContact OG-CB 3.15Å; S10-W13 PolarHBondContact OG-N 2.92Å; S10-W13 VanDerWaalsContact OG-N 3.14Å; S10-L14 PolarHBondContact O-N 3.38Å; S10-L14 VanDerWaalsContact O-N 3.09Å | ||
| 11 | A | 96.5 | Very high | 85 | Confident | 5 Ų | 5 | 80.8 Ų | 80.8 | 4% | 0.041 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -53.6 | -44.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112 | W13 L14 A15 W132 | A11-W13 VanDerWaalsContact C-N 3.34Å; A11-W13 PolarHBondContact O-N 2.94Å; A11-L14 PolarHBondContact O-N 3.18Å; A11-A15 VanDerWaalsContact O-CB 3.31Å; A11-A15 WeakPolarHBondContact O-CB 3.34Å; A11-A15 PolarHBondContact O-N 2.98Å; A11-W132 HydrophobicContact CB-CE3 4.24Å |
| 12 | Q | 95.9 | Very high | 87.5 | Confident | 99 Ų | 99 | 74 Ų | 74 | 46% | 0.463 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.5 | -40.6 | 177 | -173.5 | 60.1 | 65.8 | 0 | 0 | 113 | S10 N16 | S10-Q12 VanDerWaalsContact C-N 3.27Å; S10-Q12 PolarHBondContact O-N 2.7Å; Q12-N16 PolarHBondContact NE2-OD1 3.49Å; Q12-N16 WeakPolarHBondContact O-CB 3.09Å; Q12-N16 PolarHBondContact O-N 3.46Å; Q12-N16 PolarHBondContact O-ND2 3.27Å |
| 13 | W | 96.6 | Very high | 89.9 | Confident | 102 Ų | 102 | 68.9 Ų | 68.9 | 39% | 0.386 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -62.7 | -47.4 | 176.3 | 176.1 | 92.8 | 0 | 0 | 0 | 110.8 | V9 S10 A11 N16 A17 L27 H93 V95 | V9-W13 HydrophobicContact CB-CD2 4.27Å; V9-W13 HydrophobicContact CB-CE3 3.79Å; V9-W13 HydrophobicContact CB-CZ3 4.3Å; V9-W13 HydrophobicContact CG1-CD2 4.35Å; V9-W13 HydrophobicContact CG1-CE3 4.07Å; V9-W13 HydrophobicContact CG1-CZ3 4.27Å; V9-W13 HydrophobicContact CG2-CE3 3.99Å; V9-W13 HydrophobicContact CG2-CZ3 4.18Å; S10-W13 WeakPolarHBondContact O-CB 3.36Å; S10-W13 PolarHBondContact O-N 3.49Å; S10-W13 VanDerWaalsContact O-N 3.15Å; S10-W13 WeakPolarHBondContact OG-CB 3.15Å; S10-W13 PolarHBondContact OG-N 2.92Å; S10-W13 VanDerWaalsContact OG-N 3.14Å; A11-W13 VanDerWaalsContact C-N 3.34Å; A11-W13 PolarHBondContact O-N 2.94Å; W13-N16 PolarHBondContact O-N 3.19Å; W13-A17 PolarHBondContact O-N 3.39Å; W13-L27 HydrophobicContact CH2-CD1 4.11Å; W13-L27 HydrophobicContact CH2-CD2 4.25Å; W13-L27 HydrophobicContact CZ3-CD1 4.49Å; W13-H93 AromaticContact CH2-CE1 3.54Å; W13-H93 AromaticContact CH2-ND1 3.69Å; W13-V95 HydrophobicContact CH2-CG2 4.43Å; W13-V95 HydrophobicContact CZ3-CG2 3.93Å |
| 14 | L | 96.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.8 | -39.7 | -179.9 | 179.9 | 61.9 | 0 | 0 | 0 | 111.6 | S10 A11 N16 A17 A18 L27 V29 I51 V95 L125 W132 | S10-L14 PolarHBondContact O-N 3.38Å; S10-L14 VanDerWaalsContact O-N 3.09Å; A11-L14 PolarHBondContact O-N 3.18Å; L14-N16 VanDerWaalsContact C-N 3.3Å; L14-N16 PolarHBondContact O-N 2.71Å; L14-A17 PolarHBondContact O-N 3.2Å; L14-A18 WeakPolarHBondContact O-CB 3.19Å; L14-A18 PolarHBondContact O-N 3.01Å; L14-L27 HydrophobicContact CD1-CD2 4.46Å; L14-V29 HydrophobicContact CD1-CG2 3.79Å; L14-V29 HydrophobicContact CD2-CG1 4.24Å; L14-V29 HydrophobicContact CD2-CG2 4.39Å; L14-I51 HydrophobicContact CD2-CD1 3.88Å; L14-I51 HydrophobicContact CD2-CG2 4.4Å; L14-V95 HydrophobicContact CD2-CG1 4.13Å; L14-L125 HydrophobicContact CB-CD1 4.11Å; L14-L125 HydrophobicContact CD2-CD1 3.87Å; L14-L125 HydrophobicContact CD2-CD2 4.1Å; L14-W132 HydrophobicContact CB-CZ3 3.99Å; L14-W132 HydrophobicContact CD2-CE3 4.39Å; L14-W132 HydrophobicContact CD2-CZ3 3.92Å; L14-W132 HydrophobicContact CG-CH2 4.36Å; L14-W132 HydrophobicContact CG-CZ3 3.86Å |
| 15 | A | 95.3 | Very high | 92.7 | Very high | 4 Ų | 4 | 61.2 Ų | 61.2 | 3% | 0.033 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.5 | -39.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A11 A18 K19 W132 | A11-A15 VanDerWaalsContact O-CB 3.31Å; A11-A15 WeakPolarHBondContact O-CB 3.34Å; A11-A15 PolarHBondContact O-N 2.98Å; A15-A18 PolarHBondContact O-N 3.41Å; A15-K19 VanDerWaalsContact O-CG 3.31Å; A15-K19 WeakPolarHBondContact O-CG 3.3Å; A15-K19 PolarHBondContact O-N 3.35Å; A15-W132 HydrophobicContact CB-CH2 3.93Å; A15-W132 HydrophobicContact CB-CZ3 3.95Å |
| 16 | N | 94.1 | Very high | 93.1 | Very high | 77 Ų | 77 | 64.4 Ų | 64.4 | 41% | 0.412 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.6 | -43.6 | 173.8 | -70.9 | -14.9 | 0 | 0 | 0 | 111.5 | Q12 W13 L14 A18 K19 T20 | Q12-N16 PolarHBondContact NE2-OD1 3.49Å; Q12-N16 WeakPolarHBondContact O-CB 3.09Å; Q12-N16 PolarHBondContact O-N 3.46Å; Q12-N16 PolarHBondContact O-ND2 3.27Å; W13-N16 PolarHBondContact O-N 3.19Å; L14-N16 VanDerWaalsContact C-N 3.3Å; L14-N16 PolarHBondContact O-N 2.71Å; N16-A18 VanDerWaalsContact C-N 3.31Å; N16-A18 PolarHBondContact O-N 3.08Å; N16-K19 PolarHBondContact O-N 3.1Å; N16-T20 PolarHBondContact O-N 2.91Å; N16-T20 PolarHBondContact O-OG1 3.21Å; N16-T20 VanDerWaalsContact O-OG1 3.04Å |
| 17 | A | 92.6 | Very high | 93.3 | Very high | 4 Ų | 4 | 58.9 Ų | 58.9 | 3% | 0.033 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.5 | -36.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | W13 L14 T20 K21 L22 L27 | W13-A17 PolarHBondContact O-N 3.39Å; L14-A17 PolarHBondContact O-N 3.2Å; A17-T20 PolarHBondContact O-OG1 3.47Å; A17-K21 PolarHBondContact O-N 3.4Å; A17-L22 HydrophobicContact CB-CB 4.28Å; A17-L22 HydrophobicContact CB-CD1 4.22Å; A17-L22 WeakPolarHBondContact O-CB 3.49Å; A17-L22 PolarHBondContact O-N 3.12Å; A17-L27 HydrophobicContact CB-CD2 3.66Å |
| 18 | A | 89.9 | Confident | 93.4 | Very high | 37 Ų | 37 | 59.6 Ų | 59.6 | 31% | 0.306 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.5 | -45 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | L14 A15 N16 T20 K21 V23 | L14-A18 WeakPolarHBondContact O-CB 3.19Å; L14-A18 PolarHBondContact O-N 3.01Å; A15-A18 PolarHBondContact O-N 3.41Å; N16-A18 VanDerWaalsContact C-N 3.31Å; N16-A18 PolarHBondContact O-N 3.08Å; A18-T20 VanDerWaalsContact C-N 3.29Å; A18-T20 PolarHBondContact O-N 3.44Å; A18-K21 PolarHBondContact O-N 2.85Å; A18-V23 HydrophobicContact CB-CG2 4.23Å |
| 19 | K | 88.8 | Confident | 93.4 | Very high | 153 Ų | 153 | 58.5 Ų | 58.5 | 67% | 0.665 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -60.8 | -36.8 | 177.2 | -74.8 | 173 | -177.1 | 178.2 | 0 | 112.7 | A15 N16 K21 | A15-K19 VanDerWaalsContact O-CG 3.31Å; A15-K19 WeakPolarHBondContact O-CG 3.3Å; A15-K19 PolarHBondContact O-N 3.35Å; N16-K19 PolarHBondContact O-N 3.1Å; K19-K21 PolarHBondContact O-N 3.35Å |
| 20 | T | 88.1 | Confident | 93.4 | Very high | 93 Ų | 93 | 57.8 Ų | 57.8 | 57% | 0.571 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | 10.7 | 177.4 | 56.6 | 0 | 0 | 0 | 0 | 113.5 | N16 A17 A18 L22 | N16-T20 PolarHBondContact O-N 2.91Å; N16-T20 PolarHBondContact O-OG1 3.21Å; N16-T20 VanDerWaalsContact O-OG1 3.04Å; A17-T20 PolarHBondContact O-OG1 3.47Å; A18-T20 VanDerWaalsContact C-N 3.29Å; A18-T20 PolarHBondContact O-N 3.44Å; T20-L22 PolarHBondContact O-N 3.02Å; T20-L22 WeakPolarHBondContact OG1-CG 3.5Å |
| 21 | K | 85.3 | Confident | 93.3 | Very high | 188 Ų | 188 | 55.1 Ų | 55.1 | 82% | 0.817 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 31.5 | 178.7 | -56.5 | -176.5 | 178.6 | -178.1 | 0 | 113.7 | A17 A18 K19 V23 | A17-K21 PolarHBondContact O-N 3.4Å; A18-K21 PolarHBondContact O-N 2.85Å; K19-K21 PolarHBondContact O-N 3.35Å; K21-V23 VanDerWaalsContact C-N 3.33Å |
| 22 | L | 87.3 | Confident | 93.3 | Very high | 104 Ų | 104 | 54.9 Ų | 54.9 | 55% | 0.545 | 28% | 0.276 | S | S | . | . | trans | -75.4 | -25.4 | 174.7 | -66.6 | 176.7 | 0 | 0 | 0 | 112.2 | A17 T20 G24 L27 | A17-L22 HydrophobicContact CB-CB 4.28Å; A17-L22 HydrophobicContact CB-CD1 4.22Å; A17-L22 WeakPolarHBondContact O-CB 3.49Å; A17-L22 PolarHBondContact O-N 3.12Å; T20-L22 PolarHBondContact O-N 3.02Å; T20-L22 WeakPolarHBondContact OG1-CG 3.5Å; L22-G24 PolarHBondContact O-N 2.93Å; L22-L27 HydrophobicContact CB-CD2 4.23Å; L22-L27 WeakPolarHBondContact O-CB 3.39Å | ||
| 23 | V | 88.5 | Confident | 93.3 | Very high | 35 Ų | 35 | 50.7 Ų | 50.7 | 21% | 0.212 | 26% | 0.257 | C | S | . | . | trans | -61.9 | 119.3 | 174.5 | -179.3 | 0 | 0 | 0 | 0 | 109.5 | A18 K21 L27 V29 | A18-V23 HydrophobicContact CB-CG2 4.23Å; K21-V23 VanDerWaalsContact C-N 3.33Å; V23-L27 CarbonylContact C-O 3.5Å; V23-L27 WeakPolarHBondContact CA-O 3.47Å; V23-L27 HydrophobicContact CG2-CD2 4.14Å; V23-V29 HydrophobicContact CG1-CG2 4.34Å; V23-V29 HydrophobicContact CG2-CG2 4.24Å | ||
| 24 | G | 90.9 | Very high | 93 | Very high | 12 Ų | 12 | 47.7 Ų | 47.7 | 12% | 0.124 | 25% | 0.246 | C | C | . | . | B | Isolated β-bridge | trans | 162.1 | -152.6 | -168.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L22 K26 L27 R28 | L22-G24 PolarHBondContact O-N 2.93Å; G24-K26 PolarHBondContact O-N 3.19Å; G24-K26 VanDerWaalsContact O-N 3.12Å; G24-L27 PolarHBondContact N-O 3.48Å; G24-L27 CarbonylContact O-C 3.48Å; G24-L27 VanDerWaalsContact O-C 3.29Å; G24-L27 PolarHBondContact O-N 3.29Å; G24-R28 WeakPolarHBondContact O-CD 3.32Å; G24-R28 PolarHBondContact O-NE 3.12Å |
| 25 | P | 92.6 | Very high | 92.5 | Very high | 75 Ų | 75 | 47.8 Ų | 47.8 | 49% | 0.487 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -24.8 | -177.4 | -26.2 | 35.3 | 0 | 0 | 0 | 115 | T92 R149 | P25-T92 PolarHBondContact O-OG1 3.14Å; P25-R149 PolarHBondContact O-NH1 2.98Å |
| 26 | K | 94.4 | Very high | 92 | Very high | 133 Ų | 133 | 49.9 Ų | 49.9 | 58% | 0.578 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -18.4 | -179.5 | -64.1 | -63.6 | -173 | 177.3 | 0 | 114.1 | G24 D91 H93 | G24-K26 PolarHBondContact O-N 3.19Å; G24-K26 VanDerWaalsContact O-N 3.12Å; K26-D91 IonicContact NZ-OD2 2.98Å; K26-D91 PolarHBondContact NZ-OD2 3.38Å; K26-H93 PolarHBondContact O-N 3.23Å |
| 27 | L | 96.7 | Very high | 91.2 | Very high | 9 Ų | 9 | 51.8 Ų | 51.8 | 5% | 0.047 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 113.4 | 175.9 | 174.2 | 65 | 0 | 0 | 0 | 109.2 | W13 L14 A17 L22 V23 G24 H93 V95 | W13-L27 HydrophobicContact CH2-CD1 4.11Å; W13-L27 HydrophobicContact CH2-CD2 4.25Å; W13-L27 HydrophobicContact CZ3-CD1 4.49Å; L14-L27 HydrophobicContact CD1-CD2 4.46Å; A17-L27 HydrophobicContact CB-CD2 3.66Å; L22-L27 HydrophobicContact CB-CD2 4.23Å; L22-L27 WeakPolarHBondContact O-CB 3.39Å; V23-L27 CarbonylContact C-O 3.5Å; V23-L27 WeakPolarHBondContact CA-O 3.47Å; V23-L27 HydrophobicContact CG2-CD2 4.14Å; G24-L27 PolarHBondContact N-O 3.48Å; G24-L27 CarbonylContact O-C 3.48Å; G24-L27 VanDerWaalsContact O-C 3.29Å; G24-L27 PolarHBondContact O-N 3.29Å; L27-H93 CarbonylContact C-O 3.52Å; L27-H93 VanDerWaalsContact CA-O 3.25Å; L27-H93 WeakPolarHBondContact CA-O 3.15Å; L27-H93 HydrophobicContact CD1-CB 4.02Å; L27-H93 WeakPolarHBondContact CD1-O 3.1Å; L27-V95 HydrophobicContact CD1-CG2 3.75Å |
| 28 | R | 97.8 | Very high | 90.5 | Very high | 24 Ų | 24 | 56.6 Ų | 56.6 | 9% | 0.091 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 139.9 | 176.8 | -70.2 | -67.2 | -172.6 | -161.5 | -2.8 | 110.2 | G24 G87 I88 T92 H93 V94 V95 P146 | G24-R28 WeakPolarHBondContact O-CD 3.32Å; G24-R28 PolarHBondContact O-NE 3.12Å; R28-G87 PolarHBondContact NE-O 3.3Å; R28-I88 HydrophobicContact CB-CD1 4.49Å; R28-I88 HydrophobicContact CB-CG1 3.98Å; R28-I88 HydrophobicContact CG-CG1 3.88Å; R28-T92 HydrophobicContact CB-CG2 3.89Å; R28-T92 HydrophobicContact CG-CG2 3.53Å; R28-H93 PolarHBondContact N-O 3.44Å; R28-V94 CarbonylContact O-C 3.52Å; R28-V94 WeakPolarHBondContact O-CA 3.45Å; R28-V95 PolarHBondContact O-N 3.3Å; R28-P146 VanDerWaalsContact CZ-CB 3.41Å |
| 29 | V | 97.9 | Very high | 89.9 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 129.5 | 175.8 | -172.6 | 0 | 0 | 0 | 0 | 108.1 | L14 V23 I51 A54 S55 V95 Y97 | L14-V29 HydrophobicContact CD1-CG2 3.79Å; L14-V29 HydrophobicContact CD2-CG1 4.24Å; L14-V29 HydrophobicContact CD2-CG2 4.39Å; V23-V29 HydrophobicContact CG1-CG2 4.34Å; V23-V29 HydrophobicContact CG2-CG2 4.24Å; V29-I51 HydrophobicContact CG1-CB 4.32Å; V29-I51 HydrophobicContact CG1-CD1 4.4Å; V29-I51 HydrophobicContact CG1-CG2 4.24Å; V29-A54 HydrophobicContact CB-CB 4.14Å; V29-A54 HydrophobicContact CG1-CB 4.05Å; V29-A54 VanDerWaalsContact O-CA 3.23Å; V29-A54 WeakPolarHBondContact O-CA 3.49Å; V29-S55 PolarHBondContact O-N 3.33Å; V29-V95 CarbonylContact C-O 3.34Å; V29-V95 VanDerWaalsContact CA-O 3.31Å; V29-V95 WeakPolarHBondContact CA-O 3.25Å; V29-Y97 HydrophobicContact CG1-CD1 3.89Å; V29-Y97 HydrophobicContact CG1-CE1 3.89Å |
| 30 | L | 97.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 129.5 | 180 | -64.4 | -178.7 | 0 | 0 | 0 | 110.5 | G32 S55 F57 L86 I88 V94 V95 V96 Y97 V110 F114 | L30-G32 PolarHBondContact O-N 3.24Å; L30-S55 WeakPolarHBondContact CA-O 3.31Å; L30-F57 HydrophobicContact CB-CB 4.25Å; L30-F57 HydrophobicContact CD1-CB 4.22Å; L30-F57 HydrophobicContact CD1-CD2 3.86Å; L30-F57 HydrophobicContact CD1-CG 4.4Å; L30-L86 HydrophobicContact CD2-CD1 4.01Å; L30-I88 HydrophobicContact CD1-CD1 3.84Å; L30-I88 HydrophobicContact CD2-CD1 4.18Å; L30-I88 HydrophobicContact CG-CD1 4.31Å; L30-V94 HydrophobicContact CD1-CG1 3.57Å; L30-V94 HydrophobicContact CG-CG1 3.98Å; L30-V95 PolarHBondContact N-O 2.78Å; L30-V96 HydrophobicContact CB-CG1 4.27Å; L30-V96 HydrophobicContact CB-CG2 4.38Å; L30-V96 HydrophobicContact CD1-CG2 4.47Å; L30-V96 WeakPolarHBondContact O-CA 3.18Å; L30-Y97 VanDerWaalsContact O-CD1 3.27Å; L30-Y97 WeakPolarHBondContact O-CD1 3.44Å; L30-Y97 PolarHBondContact O-N 2.8Å; L30-V110 HydrophobicContact CD1-CG1 4.34Å; L30-F114 HydrophobicContact CD1-CE2 3.62Å; L30-F114 HydrophobicContact CD1-CZ 3.84Å |
| 31 | D | 96.3 | Very high | 88.3 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.011 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 100.7 | 162.8 | -171.2 | -24 | 0 | 0 | 0 | 108.1 | T33 S55 F56 F57 Y97 Y143 | D31-T33 VanDerWaalsContact C-N 3.33Å; D31-T33 VanDerWaalsContact OD1-CB 3.26Å; D31-T33 WeakPolarHBondContact OD1-CB 3.22Å; D31-T33 PolarHBondContact OD1-N 2.76Å; D31-T33 PolarHBondContact OD1-OG1 3.03Å; D31-S55 PolarHBondContact N-O 3.34Å; D31-F56 HydrophobicContact CB-CD2 4.06Å; D31-F56 VanDerWaalsContact O-CD2 3.26Å; D31-F56 WeakPolarHBondContact O-CD2 3.48Å; D31-F57 PolarHBondContact O-N 3Å; D31-Y97 HydrophobicContact CB-CE1 3.98Å; D31-Y97 HydrophobicContact CB-CE2 4.06Å; D31-Y97 WeakPolarHBondContact CB-OH 3.49Å; D31-Y97 PolarHBondContact OD2-OH 3.46Å; D31-Y143 HydrophobicContact CB-CE1 3.97Å; D31-Y143 PolarHBondContact OD2-OH 3.05Å |
| 32 | G | 95.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -95.6 | 30.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L30 Y34 Y97 S106 | L30-G32 PolarHBondContact O-N 3.24Å; G32-Y34 PolarHBondContact O-N 3.26Å; G32-Y97 PolarHBondContact N-O 2.99Å; G32-S106 VanDerWaalsContact O-CB 3.29Å; G32-S106 WeakPolarHBondContact O-CB 3.35Å; G32-S106 PolarHBondContact O-OG 3.04Å | ||
| 33 | T | 94.8 | Very high | 86.5 | Confident | 12 Ų | 12 | 49.8 Ų | 49.8 | 7% | 0.074 | 25% | 0.253 | C | S | . | . | trans | -64.5 | 118.4 | -178.2 | -60.8 | 0 | 0 | 0 | 0 | 111.2 | D31 V35 I46 D98 T99 | D31-T33 VanDerWaalsContact C-N 3.33Å; D31-T33 VanDerWaalsContact OD1-CB 3.26Å; D31-T33 WeakPolarHBondContact OD1-CB 3.22Å; D31-T33 PolarHBondContact OD1-N 2.76Å; D31-T33 PolarHBondContact OD1-OG1 3.03Å; T33-V35 PolarHBondContact O-N 2.68Å; T33-I46 HydrophobicContact CG2-CG2 3.86Å; T33-D98 WeakPolarHBondContact OG1-CA 3.43Å; T33-T99 WeakPolarHBondContact CG2-OG1 3.35Å; T33-T99 PolarHBondContact OG1-N 3.17Å; T33-T99 PolarHBondContact OG1-OG1 3.33Å | ||
| 34 | Y | 91.3 | Very high | 85.4 | Confident | 39 Ų | 39 | 53.9 Ų | 53.9 | 15% | 0.153 | 27% | 0.27 | C | S | . | . | trans | -74.3 | 121.5 | 176.7 | 174.1 | -116.4 | 0 | 0 | 0 | 110.8 | G32 P36 L59 N71 S106 I249 | G32-Y34 PolarHBondContact O-N 3.26Å; Y34-P36 HydrophobicContact CD1-CG 4.42Å; Y34-P36 HydrophobicContact CE1-CB 4.38Å; Y34-P36 HydrophobicContact CE1-CG 4Å; Y34-L59 HydrophobicContact CD2-CB 4.28Å; Y34-L59 HydrophobicContact CD2-CD1 4.21Å; Y34-N71 WeakPolarHBondContact CE2-ND2 3.38Å; Y34-N71 WeakPolarHBondContact CE2-OD1 3.14Å; Y34-N71 PolarHBondContact OH-ND2 3.24Å; Y34-S106 PolarHBondContact N-OG 3.11Å; Y34-I249 HydrophobicContact CD1-CD1 3.74Å; Y34-I249 HydrophobicContact CD2-CD1 3.75Å; Y34-I249 HydrophobicContact CE1-CD1 3.86Å; Y34-I249 HydrophobicContact CE2-CD1 3.88Å; Y34-I249 HydrophobicContact CG-CD1 3.67Å | ||
| 35 | V | 85.9 | Confident | 83.9 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.006 | 29% | 0.291 | C | S | . | . | trans | -102.7 | 115.3 | 171.6 | -175.6 | 0 | 0 | 0 | 0 | 108.4 | T33 N39 R43 I46 F56 N60 | T33-V35 PolarHBondContact O-N 2.68Å; V35-N39 HydrophobicContact CG1-CB 4.24Å; V35-R43 HydrophobicContact CG1-CB 4.16Å; V35-R43 HydrophobicContact CG2-CB 4.17Å; V35-I46 HydrophobicContact CB-CD1 4.31Å; V35-I46 HydrophobicContact CG1-CD1 3.77Å; V35-I46 HydrophobicContact CG2-CD1 3.72Å; V35-I46 HydrophobicContact CG2-CG2 4.5Å; V35-F56 HydrophobicContact CG2-CZ 4.43Å; V35-N60 PolarHBondContact O-ND2 3.45Å | ||
| 36 | P | 84.3 | Confident | 82.4 | Confident | 48 Ų | 48 | 58.6 Ų | 58.6 | 31% | 0.312 | 28% | 0.284 | S | S | . | . | trans | -55.9 | 142.2 | 173.4 | -24.5 | 33.9 | 0 | 0 | 0 | 111.1 | Y34 S38 N39 W40 | Y34-P36 HydrophobicContact CD1-CG 4.42Å; Y34-P36 HydrophobicContact CE1-CB 4.38Å; Y34-P36 HydrophobicContact CE1-CG 4Å; P36-S38 PolarHBondContact O-N 3.12Å; P36-S38 VanDerWaalsContact O-N 3.11Å; P36-N39 CarbonylContact O-C 3.58Å; P36-N39 WeakPolarHBondContact O-CA 3.44Å; P36-N39 PolarHBondContact O-N 3.05Å; P36-W40 PolarHBondContact O-N 2.99Å | ||
| 37 | R | 78.4 | Confident | 80.8 | Confident | 117 Ų | 117 | 53.4 Ų | 53.4 | 44% | 0.442 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -55.6 | -32.2 | -179.3 | -72.4 | -175.4 | 171.2 | -173.7 | -10 | 113.7 | N39 W40 N60 D70 | R37-N39 PolarHBondContact O-N 2.69Å; R37-W40 VanDerWaalsContact O-CB 3.29Å; R37-W40 WeakPolarHBondContact O-CB 3.26Å; R37-W40 PolarHBondContact O-N 2.95Å; R37-N60 WeakPolarHBondContact CG-OD1 3.49Å; R37-D70 IonicContact CZ-OD1 2.68Å; R37-D70 VanDerWaalsContact CZ-OD1 3.26Å; R37-D70 IonicContact NE-OD1 2.69Å; R37-D70 PolarHBondContact NE-OD1 3.39Å; R37-D70 IonicContact NH1-OD1 3.69Å; R37-D70 PolarHBondContact NH1-OD1 3.25Å |
| 38 | S | 77.1 | Confident | 79.7 | Confident | 105 Ų | 105 | 59.7 Ų | 59.7 | 73% | 0.734 | 29% | 0.293 | S | S | * | . | G | 310 helix | trans | -59.2 | -26.9 | 173.8 | 59.5 | 0 | 0 | 0 | 0 | 113.3 | P36 | P36-S38 PolarHBondContact O-N 3.12Å; P36-S38 VanDerWaalsContact O-N 3.11Å |
| 39 | N | 78.4 | Confident | 79.3 | Confident | 76 Ų | 76 | 64.8 Ų | 64.8 | 41% | 0.406 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -109.4 | 11.1 | -175.5 | -60.7 | 3.2 | 0 | 0 | 0 | 111.9 | V35 P36 R37 N41 H42 | V35-N39 HydrophobicContact CG1-CB 4.24Å; P36-N39 CarbonylContact O-C 3.58Å; P36-N39 WeakPolarHBondContact O-CA 3.44Å; P36-N39 PolarHBondContact O-N 3.05Å; R37-N39 PolarHBondContact O-N 2.69Å; N39-N41 VanDerWaalsContact C-N 3.27Å; N39-N41 PolarHBondContact O-N 2.76Å; N39-H42 PolarHBondContact O-N 3.25Å |
| 40 | W | 71.4 | Confident | 79 | Confident | 54 Ų | 54 | 64.7 Ų | 64.7 | 21% | 0.205 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -58.4 | -35.8 | -173.1 | -177.1 | -106.7 | 0 | 0 | 0 | 114.3 | P36 R37 H42 R43 D58 N60 E61 | P36-W40 PolarHBondContact O-N 2.99Å; R37-W40 VanDerWaalsContact O-CB 3.29Å; R37-W40 WeakPolarHBondContact O-CB 3.26Å; R37-W40 PolarHBondContact O-N 2.95Å; W40-H42 PolarHBondContact O-N 2.91Å; W40-R43 WeakPolarHBondContact O-CB 3.49Å; W40-R43 WeakPolarHBondContact O-CD 3.47Å; W40-R43 VanDerWaalsContact O-CG 3.27Å; W40-R43 WeakPolarHBondContact O-CG 3.06Å; W40-R43 PolarHBondContact O-N 3.16Å; W40-R43 VanDerWaalsContact O-N 3.17Å; W40-R43 PolarHBondContact O-NH1 2.69Å; W40-D58 VanDerWaalsContact CH2-OD1 3.22Å; W40-D58 WeakPolarHBondContact CH2-OD1 3.27Å; W40-D58 WeakPolarHBondContact CH2-OD2 3.48Å; W40-D58 VanDerWaalsContact CZ3-OD1 3.22Å; W40-D58 WeakPolarHBondContact CZ3-OD1 3.48Å; W40-D58 VanDerWaalsContact CZ3-OD2 3.26Å; W40-D58 WeakPolarHBondContact CZ3-OD2 3.46Å; W40-N60 HydrophobicContact CE3-CB 4.16Å; W40-N60 HydrophobicContact CH2-CB 3.6Å; W40-N60 HydrophobicContact CZ3-CB 3.43Å; W40-N60 VanDerWaalsContact CZ3-CB 3.43Å; W40-N60 WeakPolarHBondContact CZ3-ND2 3.25Å; W40-E61 HydrophobicContact CH2-CG 4.13Å; W40-E61 HydrophobicContact CZ2-CG 4.41Å |
| 41 | N | 71.3 | Confident | 78.9 | Confident | 135 Ų | 135 | 64.8 Ų | 64.8 | 72% | 0.722 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -67 | -20.2 | 178.3 | -67.4 | -22.5 | 0 | 0 | 0 | 112.5 | N39 | N39-N41 VanDerWaalsContact C-N 3.27Å; N39-N41 PolarHBondContact O-N 2.76Å |
| 42 | H | 64.3 | Low | 78.7 | Confident | 95 Ų | 95 | 66.9 Ų | 66.9 | 44% | 0.44 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -100 | 10.5 | 177.5 | -59.6 | -74.9 | 0 | 0 | 0 | 112.9 | N39 W40 H44 E45 I46 | N39-H42 PolarHBondContact O-N 3.25Å; W40-H42 PolarHBondContact O-N 2.91Å; H42-H44 PolarHBondContact O-N 2.91Å; H42-H44 VanDerWaalsContact O-N 3.13Å; H42-E45 IonicContact CE1-OE1 2.76Å; H42-E45 IonicContact CG-OE1 3.94Å; H42-E45 IonicContact ND1-OE1 3.86Å; H42-E45 PolarHBondContact ND1-OE1 3.42Å; H42-E45 IonicContact ND1-OE2 3.3Å; H42-E45 PolarHBondContact ND1-OE2 2.9Å; H42-E45 WeakPolarHBondContact O-CB 3.36Å; H42-E45 PolarHBondContact O-N 3.14Å; H42-I46 PolarHBondContact O-N 2.77Å |
| 43 | R | 70.6 | Confident | 78.4 | Confident | 72 Ų | 72 | 67.8 Ų | 67.8 | 27% | 0.272 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58 | -30.1 | 180 | 74.2 | -168.1 | -177.7 | -66.8 | -8 | 113.3 | V35 W40 E45 I46 | V35-R43 HydrophobicContact CG1-CB 4.16Å; V35-R43 HydrophobicContact CG2-CB 4.17Å; W40-R43 WeakPolarHBondContact O-CB 3.49Å; W40-R43 WeakPolarHBondContact O-CD 3.47Å; W40-R43 VanDerWaalsContact O-CG 3.27Å; W40-R43 WeakPolarHBondContact O-CG 3.06Å; W40-R43 PolarHBondContact O-N 3.16Å; W40-R43 VanDerWaalsContact O-N 3.17Å; W40-R43 PolarHBondContact O-NH1 2.69Å; R43-E45 VanDerWaalsContact C-N 3.28Å; R43-E45 PolarHBondContact O-N 2.81Å; R43-I46 PolarHBondContact O-N 3.32Å |
| 44 | H | 64.6 | Low | 78.4 | Confident | 122 Ų | 122 | 67.2 Ų | 67.2 | 57% | 0.565 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -69.2 | -23.5 | 175.9 | -63.1 | -65.4 | 0 | 0 | 0 | 113.3 | H42 S47 | H42-H44 PolarHBondContact O-N 2.91Å; H42-H44 VanDerWaalsContact O-N 3.13Å; H44-S47 PolarHBondContact O-OG 3.4Å |
| 45 | E | 60.6 | Low | 78.6 | Confident | 120 Ų | 120 | 65.6 Ų | 65.6 | 56% | 0.561 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -81.7 | -28.3 | 177.1 | -61.9 | 170.9 | -156.4 | 0 | 0 | 111.4 | H42 R43 S47 | H42-E45 IonicContact CE1-OE1 2.76Å; H42-E45 IonicContact CG-OE1 3.94Å; H42-E45 IonicContact ND1-OE1 3.86Å; H42-E45 PolarHBondContact ND1-OE1 3.42Å; H42-E45 IonicContact ND1-OE2 3.3Å; H42-E45 PolarHBondContact ND1-OE2 2.9Å; H42-E45 WeakPolarHBondContact O-CB 3.36Å; H42-E45 PolarHBondContact O-N 3.14Å; R43-E45 VanDerWaalsContact C-N 3.28Å; R43-E45 PolarHBondContact O-N 2.81Å; E45-S47 PolarHBondContact O-N 2.8Å |
| 46 | I | 60.2 | Low | 79 | Confident | 66 Ų | 66 | 67.6 Ų | 67.6 | 34% | 0.338 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -70.5 | -19.9 | 177.4 | -64 | 171.1 | 0 | 0 | 0 | 111.4 | T33 V35 H42 R43 | T33-I46 HydrophobicContact CG2-CG2 3.86Å; V35-I46 HydrophobicContact CB-CD1 4.31Å; V35-I46 HydrophobicContact CG1-CD1 3.77Å; V35-I46 HydrophobicContact CG2-CD1 3.72Å; V35-I46 HydrophobicContact CG2-CG2 4.5Å; H42-I46 PolarHBondContact O-N 2.77Å; R43-I46 PolarHBondContact O-N 3.32Å |
| 47 | S | 60.8 | Low | 79.5 | Confident | 23 Ų | 23 | 65.3 Ų | 65.3 | 16% | 0.161 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | 20.9 | -170.8 | 77.2 | 0 | 0 | 0 | 0 | 116.2 | H44 E45 K49 Y143 | H44-S47 PolarHBondContact O-OG 3.4Å; E45-S47 PolarHBondContact O-N 2.8Å; S47-K49 PolarHBondContact O-N 3.18Å; S47-Y143 WeakPolarHBondContact CB-OH 3.47Å |
| 48 | Q | 74.8 | Confident | 80.2 | Confident | 142 Ų | 142 | 60.3 Ų | 60.3 | 66% | 0.664 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -66.2 | -19.9 | -174.6 | -70.3 | -171.5 | -12.4 | 0 | 0 | 114.5 | ||
| 49 | K | 88.9 | Confident | 81 | Confident | 130 Ų | 130 | 55.5 Ų | 55.5 | 57% | 0.565 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -139.1 | 135.1 | 175.5 | -62.6 | -179.5 | -179.3 | 177.9 | 0 | 109.5 | S47 F129 V139 A140 | S47-K49 PolarHBondContact O-N 3.18Å; K49-F129 HydrophobicContact CB-CE1 4.01Å; K49-F129 HydrophobicContact CB-CZ 3.77Å; K49-F129 WeakPolarHBondContact O-CZ 3.37Å; K49-V139 HydrophobicContact CB-CB 4.44Å; K49-V139 HydrophobicContact CD-CG2 4.34Å; K49-A140 WeakPolarHBondContact CA-O 3.34Å |
| 50 | H | 91.9 | Very high | 81.6 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 25% | 0.254 | C | S | . | . | B | Isolated β-bridge | trans | -145.3 | 171.8 | 176.6 | 55.3 | 72.3 | 0 | 0 | 0 | 111 | Y97 V139 A140 S141 D142 Y143 | H50-Y97 WeakPolarHBondContact CA-OH 3.33Å; H50-Y97 WeakPolarHBondContact CB-OH 3.41Å; H50-V139 CarbonylContact O-C 3.59Å; H50-V139 WeakPolarHBondContact O-CA 3.36Å; H50-A140 WeakPolarHBondContact CE1-CB 3.18Å; H50-A140 PolarHBondContact N-O 2.88Å; H50-A140 PolarHBondContact O-N 3.08Å; H50-S141 VanDerWaalsContact NE2-C 3.27Å; H50-D142 PolarHBondContact CE1-O 3.14Å; H50-D142 WeakPolarHBondContact NE2-CA 3.42Å; H50-D142 PolarHBondContact NE2-N 3.19Å; H50-D142 PolarHBondContact NE2-O 3.18Å; H50-Y143 HydrophobicContact CB-CD1 4.36Å; H50-Y143 HydrophobicContact CB-CE1 3.65Å; H50-Y143 AromaticContact CD2-CD1 3.75Å; H50-Y143 AromaticContact CD2-CE1 3.64Å; H50-Y143 AromaticContact CD2-CZ 3.89Å; H50-Y143 AromaticContact CG-CD1 3.84Å; H50-Y143 AromaticContact CG-CE1 3.59Å; H50-Y143 PolarHBondContact NE2-N 3.38Å; H50-Y143 VanDerWaalsContact NE2-N 3.18Å |
| 51 | I | 94.3 | Very high | 82.7 | Confident | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | trans | -66.6 | 134.8 | 173.7 | -60.1 | -175.7 | 0 | 0 | 0 | 109.1 | L14 V29 G53 A54 Y97 L125 F129 W132 | L14-I51 HydrophobicContact CD2-CD1 3.88Å; L14-I51 HydrophobicContact CD2-CG2 4.4Å; V29-I51 HydrophobicContact CG1-CB 4.32Å; V29-I51 HydrophobicContact CG1-CD1 4.4Å; V29-I51 HydrophobicContact CG1-CG2 4.24Å; I51-G53 PolarHBondContact O-N 2.92Å; I51-A54 HydrophobicContact CB-CB 4.35Å; I51-A54 WeakPolarHBondContact O-CB 3.48Å; I51-A54 PolarHBondContact O-N 3.18Å; I51-A54 VanDerWaalsContact O-N 3.08Å; I51-Y97 HydrophobicContact CB-CE1 3.92Å; I51-Y97 HydrophobicContact CD1-CD1 3.56Å; I51-Y97 HydrophobicContact CD1-CE1 3.64Å; I51-Y97 HydrophobicContact CD1-CG 4.04Å; I51-Y97 HydrophobicContact CG1-CD1 4.15Å; I51-Y97 HydrophobicContact CG1-CE1 3.68Å; I51-Y97 PolarHBondContact N-OH 2.98Å; I51-L125 HydrophobicContact CD1-CD2 3.53Å; I51-F129 HydrophobicContact CG1-CD2 3.9Å; I51-F129 HydrophobicContact CG1-CE2 4.09Å; I51-W132 HydrophobicContact CD1-CD2 3.8Å; I51-W132 HydrophobicContact CD1-CE3 3.91Å; I51-W132 HydrophobicContact CD1-CG 4.1Å; I51-W132 HydrophobicContact CD1-CZ3 4.42Å; I51-W132 HydrophobicContact CG1-CD2 3.93Å; I51-W132 HydrophobicContact CG1-CE3 4.49Å; I51-W132 HydrophobicContact CG1-CG 4.07Å; I51-W132 HydrophobicContact CG1-CZ2 4.43Å; I51-W132 HydrophobicContact CG2-CH2 3.96Å; I51-W132 HydrophobicContact CG2-CZ2 3.74Å; I51-W132 HydrophobicContact CG2-CZ3 4.5Å | ||
| 52 | P | 92.4 | Very high | 83.9 | Confident | 46 Ų | 46 | 47.5 Ų | 47.5 | 30% | 0.299 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 133.3 | 177.7 | -26.7 | 34.8 | 0 | 0 | 0 | 112.1 | A54 P138 A140 | P52-A54 VanDerWaalsContact C-N 3.25Å; P52-A54 PolarHBondContact O-N 3.12Å; P52-P138 WeakPolarHBondContact CD-O 3.41Å; P52-P138 HydrophobicContact CG-CB 4.14Å; P52-A140 HydrophobicContact CB-CB 4.29Å; P52-A140 HydrophobicContact CG-CB 4.19Å |
| 53 | G | 90.9 | Very high | 85.4 | Confident | 19 Ų | 19 | 43.3 Ų | 43.3 | 20% | 0.196 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | 2.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | I51 T144 | I51-G53 PolarHBondContact O-N 2.92Å; G53-T144 PolarHBondContact O-OG1 3.32Å |
| 54 | A | 94.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 157.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112 | V29 I51 P52 Y97 T144 | V29-A54 HydrophobicContact CB-CB 4.14Å; V29-A54 HydrophobicContact CG1-CB 4.05Å; V29-A54 VanDerWaalsContact O-CA 3.23Å; V29-A54 WeakPolarHBondContact O-CA 3.49Å; I51-A54 HydrophobicContact CB-CB 4.35Å; I51-A54 WeakPolarHBondContact O-CB 3.48Å; I51-A54 PolarHBondContact O-N 3.18Å; I51-A54 VanDerWaalsContact O-N 3.08Å; P52-A54 VanDerWaalsContact C-N 3.25Å; P52-A54 PolarHBondContact O-N 3.12Å; A54-Y97 HydrophobicContact CB-CE1 4.15Å; A54-T144 PolarHBondContact O-N 3.41Å; A54-T144 VanDerWaalsContact O-N 3.15Å; A54-T144 PolarHBondContact O-OG1 2.96Å |
| 55 | S | 94.9 | Very high | 88 | Confident | 5 Ų | 5 | 42.8 Ų | 42.8 | 4% | 0.035 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 149.5 | 164 | -59.1 | 0 | 0 | 0 | 0 | 109.1 | V29 L30 D31 T144 | V29-S55 PolarHBondContact O-N 3.33Å; L30-S55 WeakPolarHBondContact CA-O 3.31Å; D31-S55 PolarHBondContact N-O 3.34Å; S55-T144 PolarHBondContact OG-O 3.43Å; S55-T144 VanDerWaalsContact OG-O 3.09Å |
| 56 | F | 94 | Very high | 89.6 | Confident | 42 Ų | 42 | 42 Ų | 42 | 18% | 0.184 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 128.4 | 175.8 | -172.9 | -120.7 | 0 | 0 | 0 | 110.7 | D31 V35 D58 Y143 | D31-F56 HydrophobicContact CB-CD2 4.06Å; D31-F56 VanDerWaalsContact O-CD2 3.26Å; D31-F56 WeakPolarHBondContact O-CD2 3.48Å; V35-F56 HydrophobicContact CG2-CZ 4.43Å; F56-D58 HydrophobicContact CD1-CB 3.98Å; F56-D58 HydrophobicContact CE1-CB 3.64Å; F56-D58 WeakPolarHBondContact CE1-OD2 3.43Å; F56-D58 HydrophobicContact CZ-CB 4.48Å; F56-Y143 HydrophobicContact CB-CD1 4.38Å; F56-Y143 HydrophobicContact CB-CD2 4.18Å; F56-Y143 HydrophobicContact CB-CE1 4.08Å; F56-Y143 HydrophobicContact CB-CE2 3.84Å; F56-Y143 HydrophobicContact CB-CG 4.44Å; F56-Y143 HydrophobicContact CG-CE2 4.4Å |
| 57 | F | 95.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | -103.3 | 109.9 | 170 | -174.2 | -73 | 0 | 0 | 0 | 108.6 | L30 D31 L59 C62 F79 Y82 V83 L86 V110 M113 F114 | L30-F57 HydrophobicContact CB-CB 4.25Å; L30-F57 HydrophobicContact CD1-CB 4.22Å; L30-F57 HydrophobicContact CD1-CD2 3.86Å; L30-F57 HydrophobicContact CD1-CG 4.4Å; D31-F57 PolarHBondContact O-N 3Å; F57-L59 HydrophobicContact CD1-CD2 4.46Å; F57-L59 HydrophobicContact CD1-CG 4.36Å; F57-L59 HydrophobicContact CE1-CD2 3.9Å; F57-L59 HydrophobicContact CE1-CG 4.24Å; F57-C62 HydrophobicContact CE1-CB 3.85Å; F57-C62 HydrophobicContact CE2-CB 4.48Å; F57-C62 HydrophobicContact CZ-CB 3.67Å; F57-C62 VanDerWaalsContact CZ-SG 3.59Å; F57-F79 HydrophobicContact CE2-CE2 4.28Å; F57-F79 HydrophobicContact CZ-CE2 4.19Å; F57-Y82 HydrophobicContact CD1-CE1 4.48Å; F57-Y82 HydrophobicContact CD2-CD1 4.25Å; F57-Y82 AromaticContact CD2-CE1 3.67Å; F57-Y82 HydrophobicContact CD2-CE1 3.67Å; F57-Y82 HydrophobicContact CE1-CE1 4.46Å; F57-Y82 AromaticContact CE2-CD1 3.86Å; F57-Y82 HydrophobicContact CE2-CD1 3.86Å; F57-Y82 AromaticContact CE2-CE1 3.67Å; F57-Y82 HydrophobicContact CE2-CE1 3.67Å; F57-Y82 HydrophobicContact CG-CE1 4.1Å; F57-Y82 HydrophobicContact CZ-CD1 4.29Å; F57-Y82 HydrophobicContact CZ-CE1 4.07Å; F57-V83 HydrophobicContact CE2-CG1 3.92Å; F57-L86 HydrophobicContact CB-CD1 4.48Å; F57-L86 HydrophobicContact CD2-CD1 3.91Å; F57-V110 HydrophobicContact CD1-CB 4.36Å; F57-V110 HydrophobicContact CD1-CG1 3.88Å; F57-V110 HydrophobicContact CD1-CG2 3.54Å; F57-V110 HydrophobicContact CD2-CG1 3.86Å; F57-V110 HydrophobicContact CE1-CB 4.46Å; F57-V110 HydrophobicContact CE1-CG1 4.03Å; F57-V110 HydrophobicContact CE1-CG2 3.82Å; F57-V110 HydrophobicContact CE2-CG1 3.97Å; F57-V110 HydrophobicContact CG-CG1 3.82Å; F57-V110 HydrophobicContact CG-CG2 4.18Å; F57-V110 HydrophobicContact CZ-CG1 4.07Å; F57-M113 HydrophobicContact CE1-CE 4.2Å; F57-M113 HydrophobicContact CE1-SD 4.28Å; F57-M113 HydrophobicContact CZ-CE 3.87Å; F57-M113 HydrophobicContact CZ-SD 4.31Å; F57-F114 HydrophobicContact CE2-CE2 4.32Å | ||
| 58 | D | 93.6 | Very high | 92.8 | Very high | 13 Ų | 13 | 48.4 Ų | 48.4 | 7% | 0.07 | 25% | 0.247 | C | C | . | . | trans | -96 | 106.5 | -175.4 | -163.6 | -33.6 | 0 | 0 | 0 | 111.2 | W40 F56 N60 E61 C62 Y82 | W40-D58 VanDerWaalsContact CH2-OD1 3.22Å; W40-D58 WeakPolarHBondContact CH2-OD1 3.27Å; W40-D58 WeakPolarHBondContact CH2-OD2 3.48Å; W40-D58 VanDerWaalsContact CZ3-OD1 3.22Å; W40-D58 WeakPolarHBondContact CZ3-OD1 3.48Å; W40-D58 VanDerWaalsContact CZ3-OD2 3.26Å; W40-D58 WeakPolarHBondContact CZ3-OD2 3.46Å; F56-D58 HydrophobicContact CD1-CB 3.98Å; F56-D58 HydrophobicContact CE1-CB 3.64Å; F56-D58 WeakPolarHBondContact CE1-OD2 3.43Å; F56-D58 HydrophobicContact CZ-CB 4.48Å; D58-N60 PolarHBondContact O-N 3.35Å; D58-N60 WeakPolarHBondContact OD1-CB 3.33Å; D58-N60 PolarHBondContact OD1-N 3.21Å; D58-E61 HydrophobicContact CB-CB 4.05Å; D58-E61 HydrophobicContact CB-CG 4.11Å; D58-E61 PolarHBondContact O-N 3.29Å; D58-E61 VanDerWaalsContact O-N 3.14Å; D58-E61 PolarHBondContact OD1-N 2.65Å; D58-C62 WeakPolarHBondContact O-CB 3.35Å; D58-C62 PolarHBondContact O-N 3.24Å; D58-Y82 WeakPolarHBondContact CB-OH 3.49Å; D58-Y82 PolarHBondContact N-OH 3.04Å | ||
| 59 | L | 93.8 | Very high | 93.6 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -25.7 | 178.1 | -78 | 165.3 | 0 | 0 | 0 | 113.3 | Y34 F57 C63 R109 V110 M113 | Y34-L59 HydrophobicContact CD2-CB 4.28Å; Y34-L59 HydrophobicContact CD2-CD1 4.21Å; F57-L59 HydrophobicContact CD1-CD2 4.46Å; F57-L59 HydrophobicContact CD1-CG 4.36Å; F57-L59 HydrophobicContact CE1-CD2 3.9Å; F57-L59 HydrophobicContact CE1-CG 4.24Å; L59-C63 WeakPolarHBondContact O-CB 3.43Å; L59-R109 HydrophobicContact CD1-CG 4.26Å; L59-R109 HydrophobicContact CD2-CG 3.71Å; L59-V110 HydrophobicContact CD1-CG2 4.41Å; L59-V110 HydrophobicContact CD2-CG2 4.11Å; L59-V110 HydrophobicContact CG-CG2 4.26Å; L59-M113 HydrophobicContact CD2-CE 4.46Å; L59-M113 HydrophobicContact CD2-SD 3.52Å; L59-M113 VanDerWaalsContact CD2-SD 3.52Å |
| 60 | N | 90.5 | Very high | 93.5 | Very high | 8 Ų | 8 | 38.6 Ų | 38.6 | 4% | 0.043 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -22.5 | 177.3 | -64.5 | -73.3 | 0 | 0 | 0 | 112.1 | V35 R37 W40 D58 C63 | V35-N60 PolarHBondContact O-ND2 3.45Å; R37-N60 WeakPolarHBondContact CG-OD1 3.49Å; W40-N60 HydrophobicContact CE3-CB 4.16Å; W40-N60 HydrophobicContact CH2-CB 3.6Å; W40-N60 HydrophobicContact CZ3-CB 3.43Å; W40-N60 VanDerWaalsContact CZ3-CB 3.43Å; W40-N60 WeakPolarHBondContact CZ3-ND2 3.25Å; D58-N60 PolarHBondContact O-N 3.35Å; D58-N60 WeakPolarHBondContact OD1-CB 3.33Å; D58-N60 PolarHBondContact OD1-N 3.21Å; N60-C63 PolarHBondContact O-SG 3.25Å |
| 61 | E | 93.3 | Very high | 93.3 | Very high | 84 Ų | 84 | 38.8 Ų | 38.8 | 39% | 0.393 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -38.8 | 172.2 | -67.5 | -60.2 | 133.5 | 0 | 0 | 112 | W40 D58 C63 K65 Y82 | W40-E61 HydrophobicContact CH2-CG 4.13Å; W40-E61 HydrophobicContact CZ2-CG 4.41Å; D58-E61 HydrophobicContact CB-CB 4.05Å; D58-E61 HydrophobicContact CB-CG 4.11Å; D58-E61 PolarHBondContact O-N 3.29Å; D58-E61 VanDerWaalsContact O-N 3.14Å; D58-E61 PolarHBondContact OD1-N 2.65Å; E61-C63 VanDerWaalsContact C-N 3.27Å; E61-C63 PolarHBondContact O-N 3.12Å; E61-K65 IonicContact OE1-NZ 3.9Å; E61-K65 IonicContact OE2-NZ 2.9Å; E61-K65 PolarHBondContact OE2-NZ 2.78Å; E61-Y82 HydrophobicContact CB-CE2 3.83Å |
| 62 | C | 96.6 | Very high | 93.4 | Very high | 5 Ų | 5 | 40.2 Ų | 40.2 | 3% | 0.034 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -90 | 53.3 | 179.2 | -158.6 | 0 | 0 | 0 | 0 | 112.1 | F57 D58 P74 Y82 M113 | F57-C62 HydrophobicContact CE1-CB 3.85Å; F57-C62 HydrophobicContact CE2-CB 4.48Å; F57-C62 HydrophobicContact CZ-CB 3.67Å; F57-C62 VanDerWaalsContact CZ-SG 3.59Å; D58-C62 WeakPolarHBondContact O-CB 3.35Å; D58-C62 PolarHBondContact O-N 3.24Å; C62-P74 WeakPolarHBondContact O-CD 3.23Å; C62-Y82 HydrophobicContact CB-CD1 3.65Å; C62-Y82 HydrophobicContact CB-CD2 4.16Å; C62-Y82 HydrophobicContact CB-CE1 3.69Å; C62-Y82 HydrophobicContact CB-CE2 4.21Å; C62-Y82 HydrophobicContact CB-CG 3.9Å; C62-Y82 WeakPolarHBondContact SG-CD1 3.34Å; C62-M113 HydrophobicContact CB-CE 4.39Å; C62-M113 VanDerWaalsContact O-CE 3.31Å; C62-M113 WeakPolarHBondContact O-CE 3.22Å |
| 63 | C | 96.4 | Very high | 93.7 | Very high | 8 Ų | 8 | 39.1 Ų | 39.1 | 5% | 0.054 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -138.9 | 167.7 | 176.8 | 66.7 | 0 | 0 | 0 | 0 | 111.5 | L59 N60 E61 K65 M72 | L59-C63 WeakPolarHBondContact O-CB 3.43Å; N60-C63 PolarHBondContact O-SG 3.25Å; E61-C63 VanDerWaalsContact C-N 3.27Å; E61-C63 PolarHBondContact O-N 3.12Å; C63-K65 PolarHBondContact O-N 3.48Å; C63-K65 VanDerWaalsContact O-N 3.12Å; C63-M72 CarbonylContact C-O 3.52Å; C63-M72 VanDerWaalsContact CA-O 3.24Å; C63-M72 WeakPolarHBondContact CA-O 3.49Å; C63-M72 VanDerWaalsContact CB-O 3.22Å; C63-M72 WeakPolarHBondContact CB-O 3.44Å |
| 64 | D | 96.8 | Very high | 94 | Very high | 54 Ų | 54 | 38.6 Ų | 38.6 | 29% | 0.289 | 20% | 0.195 | S | C | . | . | trans | -70.4 | 103.5 | 168.2 | 174.6 | 18 | 0 | 0 | 0 | 110.4 | S66 S67 M72 L73 | D64-S66 PolarHBondContact O-N 3.1Å; D64-S66 WeakPolarHBondContact OD1-CA 3.41Å; D64-S66 VanDerWaalsContact OD1-CB 3.32Å; D64-S66 WeakPolarHBondContact OD1-CB 3.32Å; D64-S66 PolarHBondContact OD1-N 2.86Å; D64-S66 PolarHBondContact OD1-OG 2.84Å; D64-S66 PolarHBondContact OD2-OG 2.88Å; D64-S67 PolarHBondContact O-N 3.44Å; D64-M72 HydrophobicContact CB-CB 4.2Å; D64-M72 PolarHBondContact N-O 2.78Å; D64-L73 WeakPolarHBondContact CB-O 3.21Å | ||
| 65 | K | 93 | Very high | 94.2 | Very high | 129 Ų | 129 | 42.2 Ų | 42.2 | 56% | 0.561 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -11.7 | 179.2 | -60.6 | -173.2 | 179.5 | -172.6 | 0 | 113.7 | E61 C63 | E61-K65 IonicContact OE1-NZ 3.9Å; E61-K65 IonicContact OE2-NZ 2.9Å; E61-K65 PolarHBondContact OE2-NZ 2.78Å; C63-K65 PolarHBondContact O-N 3.48Å; C63-K65 VanDerWaalsContact O-N 3.12Å |
| 66 | S | 95.1 | Very high | 94.3 | Very high | 103 Ų | 103 | 43.4 Ų | 43.4 | 72% | 0.72 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -18.9 | 176.9 | 77.5 | 0 | 0 | 0 | 0 | 113 | D64 | D64-S66 PolarHBondContact O-N 3.1Å; D64-S66 WeakPolarHBondContact OD1-CA 3.41Å; D64-S66 VanDerWaalsContact OD1-CB 3.32Å; D64-S66 WeakPolarHBondContact OD1-CB 3.32Å; D64-S66 PolarHBondContact OD1-N 2.86Å; D64-S66 PolarHBondContact OD1-OG 2.84Å; D64-S66 PolarHBondContact OD2-OG 2.88Å |
| 67 | S | 94.1 | Very high | 94.6 | Very high | 30 Ų | 30 | 45.5 Ų | 45.5 | 21% | 0.21 | 25% | 0.247 | C | C | . | . | trans | -67.1 | 144.7 | 177.9 | 175.3 | 0 | 0 | 0 | 0 | 112.4 | D64 Y69 M72 | D64-S67 PolarHBondContact O-N 3.44Å; S67-Y69 VanDerWaalsContact C-N 3.25Å; S67-Y69 PolarHBondContact OG-N 2.63Å; S67-Y69 PolarHBondContact OG-O 2.88Å; S67-M72 WeakPolarHBondContact OG-CG 3.22Å | ||
| 68 | K | 92.4 | Very high | 94.7 | Very high | 193 Ų | 193 | 48.3 Ų | 48.3 | 84% | 0.839 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -78.5 | -10.8 | 169.9 | -60.6 | -178.4 | -178.5 | 179.7 | 0 | 112.9 | ||
| 69 | Y | 91.8 | Very high | 94.9 | Very high | 45 Ų | 45 | 47.7 Ų | 47.7 | 18% | 0.176 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -107.2 | 143.7 | 178.5 | -49 | -63.5 | 0 | 0 | 0 | 110 | S67 E275 K278 R279 | S67-Y69 VanDerWaalsContact C-N 3.25Å; S67-Y69 PolarHBondContact OG-N 2.63Å; S67-Y69 PolarHBondContact OG-O 2.88Å; Y69-E275 HydrophobicContact CD1-CB 4.08Å; Y69-E275 HydrophobicContact CD2-CB 4.12Å; Y69-E275 HydrophobicContact CD2-CG 4.02Å; Y69-E275 HydrophobicContact CE1-CB 4.11Å; Y69-E275 HydrophobicContact CE1-CG 4.19Å; Y69-E275 HydrophobicContact CE2-CB 4.14Å; Y69-E275 HydrophobicContact CE2-CG 3.61Å; Y69-E275 WeakPolarHBondContact CE2-OE1 3.4Å; Y69-E275 HydrophobicContact CG-CB 4.1Å; Y69-E275 HydrophobicContact CG-CG 4.47Å; Y69-K278 HydrophobicContact CE1-CB 4.29Å; Y69-K278 HydrophobicContact CE1-CD 4.12Å; Y69-R279 VanDerWaalsContact OH-CD 3.26Å; Y69-R279 WeakPolarHBondContact OH-CD 3.31Å; Y69-R279 WeakPolarHBondContact OH-CG 3.48Å |
| 70 | D | 87 | Confident | 95.2 | Very high | 21 Ų | 21 | 48.5 Ų | 48.5 | 11% | 0.112 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | 151 | -176.6 | -61.1 | -41.8 | 0 | 0 | 0 | 112 | R37 M72 K194 L247 | R37-D70 IonicContact CZ-OD1 2.68Å; R37-D70 VanDerWaalsContact CZ-OD1 3.26Å; R37-D70 IonicContact NE-OD1 2.69Å; R37-D70 PolarHBondContact NE-OD1 3.39Å; R37-D70 IonicContact NH1-OD1 3.69Å; R37-D70 PolarHBondContact NH1-OD1 3.25Å; D70-M72 PolarHBondContact O-N 3.1Å; D70-K194 WeakPolarHBondContact OD2-CE 3.24Å; D70-K194 IonicContact OD2-NZ 2.71Å; D70-K194 PolarHBondContact OD2-NZ 3.14Å; D70-L247 HydrophobicContact CB-CD2 4.39Å |
| 71 | N | 87.9 | Confident | 95.6 | Very high | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 16.4 | 170.7 | -51.2 | -56.5 | 0 | 0 | 0 | 116 | Y34 R109 | Y34-N71 WeakPolarHBondContact CE2-ND2 3.38Å; Y34-N71 WeakPolarHBondContact CE2-OD1 3.14Å; Y34-N71 PolarHBondContact OH-ND2 3.24Å; N71-R109 PolarHBondContact O-NH2 2.98Å |
| 72 | M | 96.6 | Very high | 95.8 | Very high | 33 Ų | 33 | 53.4 Ų | 53.4 | 16% | 0.163 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 144.9 | 172.7 | -61.4 | -55.9 | -69.8 | 0 | 0 | 110.9 | C63 D64 S67 D70 D270 G271 | C63-M72 CarbonylContact C-O 3.52Å; C63-M72 VanDerWaalsContact CA-O 3.24Å; C63-M72 WeakPolarHBondContact CA-O 3.49Å; C63-M72 VanDerWaalsContact CB-O 3.22Å; C63-M72 WeakPolarHBondContact CB-O 3.44Å; D64-M72 HydrophobicContact CB-CB 4.2Å; D64-M72 PolarHBondContact N-O 2.78Å; S67-M72 WeakPolarHBondContact OG-CG 3.22Å; D70-M72 PolarHBondContact O-N 3.1Å; M72-D270 WeakPolarHBondContact CA-OD2 3.2Å; M72-D270 HydrophobicContact CE-CB 4.01Å; M72-D270 HydrophobicContact SD-CB 4.47Å; M72-G271 VanDerWaalsContact SD-CA 3.59Å |
| 73 | L | 98 | Very high | 95.9 | Very high | 22 Ų | 22 | 53.2 Ų | 53.2 | 12% | 0.115 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -51.7 | 134.3 | 178.5 | -83.9 | 178.8 | 0 | 0 | 0 | 111.8 | D64 W112 M113 V116 F117 L155 V160 D270 | D64-L73 WeakPolarHBondContact CB-O 3.21Å; L73-W112 HydrophobicContact CD1-CH2 3.52Å; L73-W112 HydrophobicContact CD1-CZ3 3.77Å; L73-W112 HydrophobicContact CD2-CE3 4.47Å; L73-W112 HydrophobicContact CD2-CH2 4.28Å; L73-W112 HydrophobicContact CD2-CZ3 3.63Å; L73-W112 HydrophobicContact CG-CH2 4.03Å; L73-W112 HydrophobicContact CG-CZ3 3.78Å; L73-M113 HydrophobicContact CD2-CE 4.5Å; L73-M113 HydrophobicContact CD2-CG 3.84Å; L73-V116 HydrophobicContact CD1-CG1 4.12Å; L73-V116 HydrophobicContact CD2-CG1 4.13Å; L73-F117 HydrophobicContact CD2-CE2 3.84Å; L73-F117 HydrophobicContact CD2-CZ 4.16Å; L73-L155 HydrophobicContact CD1-CD1 4.25Å; L73-V160 HydrophobicContact CD1-CG1 4.19Å; L73-V160 HydrophobicContact CD1-CG2 3.49Å; L73-V160 VanDerWaalsContact CD1-CG2 3.49Å; L73-D270 PolarHBondContact N-OD2 3.36Å |
| 74 | P | 98.3 | Very high | 96 | Very high | 8 Ų | 8 | 52.9 Ų | 52.9 | 5% | 0.052 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 173.9 | 171.6 | 33.5 | -36.5 | 0 | 0 | 0 | 110.6 | C62 D78 F79 M113 F117 | C62-P74 WeakPolarHBondContact O-CD 3.23Å; P74-D78 HydrophobicContact CB-CB 4.02Å; P74-F79 HydrophobicContact CG-CB 4.06Å; P74-F79 HydrophobicContact CG-CD2 4.29Å; P74-M113 HydrophobicContact CG-CE 4.32Å; P74-F117 HydrophobicContact CG-CE2 4.17Å; P74-F117 HydrophobicContact CG-CZ 4.21Å; P74-F117 WeakPolarHBondContact O-CZ 3.43Å |
| 75 | T | 98.3 | Very high | 96 | Very high | 76 Ų | 76 | 54 Ų | 54 | 47% | 0.466 | 28% | 0.282 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 157.8 | 167.4 | 74 | 0 | 0 | 0 | 0 | 110.7 | S77 D78 F79 | T75-S77 PolarHBondContact O-N 2.9Å; T75-D78 PolarHBondContact O-N 3.39Å; T75-D78 VanDerWaalsContact O-N 3.16Å; T75-D78 WeakPolarHBondContact OG1-CB 3.34Å; T75-D78 PolarHBondContact OG1-N 2.91Å; T75-D78 VanDerWaalsContact OG1-N 3.08Å; T75-D78 PolarHBondContact OG1-OD2 3.26Å; T75-F79 PolarHBondContact O-N 2.97Å |
| 76 | A | 98.5 | Very high | 96.2 | Very high | 31 Ų | 31 | 48.9 Ų | 48.9 | 26% | 0.256 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.7 | -34.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S80 F117 A153 | A76-S80 VanDerWaalsContact O-CB 3.27Å; A76-S80 WeakPolarHBondContact O-CB 3.29Å; A76-S80 PolarHBondContact O-N 3.32Å; A76-S80 PolarHBondContact O-OG 3.36Å; A76-F117 HydrophobicContact CB-CD1 4.2Å; A76-F117 HydrophobicContact CB-CE1 4.06Å; A76-A153 HydrophobicContact CB-CB 3.98Å; A76-A153 VanDerWaalsContact O-CB 3.31Å; A76-A153 WeakPolarHBondContact O-CB 3.28Å |
| 77 | S | 98.4 | Very high | 96.4 | Very high | 86 Ų | 86 | 44 Ų | 44 | 60% | 0.601 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -67.8 | -43.8 | 176.3 | -175.4 | 0 | 0 | 0 | 0 | 111.7 | T75 S80 R81 | T75-S77 PolarHBondContact O-N 2.9Å; S77-S80 PolarHBondContact O-N 3.32Å; S77-R81 WeakPolarHBondContact O-CB 3.41Å; S77-R81 PolarHBondContact O-N 2.96Å |
| 78 | D | 98.4 | Very high | 96.6 | Very high | 58 Ų | 58 | 42.6 Ų | 42.6 | 31% | 0.31 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.2 | -43.6 | 178 | -69.2 | -43.7 | 0 | 0 | 0 | 111.7 | P74 T75 R81 Y82 | P74-D78 HydrophobicContact CB-CB 4.02Å; T75-D78 PolarHBondContact O-N 3.39Å; T75-D78 VanDerWaalsContact O-N 3.16Å; T75-D78 WeakPolarHBondContact OG1-CB 3.34Å; T75-D78 PolarHBondContact OG1-N 2.91Å; T75-D78 VanDerWaalsContact OG1-N 3.08Å; T75-D78 PolarHBondContact OG1-OD2 3.26Å; D78-R81 PolarHBondContact O-N 2.75Å; D78-R81 IonicContact OD1-CZ 2.76Å; D78-R81 IonicContact OD1-NH2 4Å; D78-R81 PolarHBondContact OD1-NH2 3.39Å; D78-Y82 VanDerWaalsContact O-CB 3.25Å; D78-Y82 WeakPolarHBondContact O-CB 3.45Å; D78-Y82 PolarHBondContact O-N 3.47Å |
| 79 | F | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.5 | -49.4 | 173.5 | -172 | -100.1 | 0 | 0 | 0 | 111.1 | F57 P74 T75 R81 Y82 V83 M113 F114 F117 F151 A153 | F57-F79 HydrophobicContact CE2-CE2 4.28Å; F57-F79 HydrophobicContact CZ-CE2 4.19Å; P74-F79 HydrophobicContact CG-CB 4.06Å; P74-F79 HydrophobicContact CG-CD2 4.29Å; T75-F79 PolarHBondContact O-N 2.97Å; F79-R81 PolarHBondContact O-N 2.64Å; F79-Y82 PolarHBondContact O-N 3.43Å; F79-Y82 VanDerWaalsContact O-N 3.17Å; F79-V83 HydrophobicContact CD1-CG1 4.34Å; F79-V83 HydrophobicContact CD1-CG2 4.21Å; F79-V83 HydrophobicContact CD2-CG1 4.27Å; F79-V83 HydrophobicContact CE1-CG1 3.9Å; F79-V83 HydrophobicContact CE1-CG2 4.03Å; F79-V83 HydrophobicContact CE2-CG1 3.81Å; F79-V83 HydrophobicContact CZ-CG1 3.62Å; F79-V83 WeakPolarHBondContact O-CG2 3.21Å; F79-V83 PolarHBondContact O-N 2.76Å; F79-M113 HydrophobicContact CD2-CE 4.16Å; F79-M113 HydrophobicContact CE2-CB 3.97Å; F79-M113 HydrophobicContact CE2-CE 4.1Å; F79-M113 HydrophobicContact CZ-CB 4.45Å; F79-F114 HydrophobicContact CE1-CD1 4.06Å; F79-F114 HydrophobicContact CE1-CE1 4.19Å; F79-F114 AromaticContact CZ-CD1 3.77Å; F79-F114 HydrophobicContact CZ-CD1 3.77Å; F79-F114 HydrophobicContact CZ-CD2 4.3Å; F79-F114 AromaticContact CZ-CE1 3.86Å; F79-F114 HydrophobicContact CZ-CE1 3.86Å; F79-F114 HydrophobicContact CZ-CE2 4.36Å; F79-F114 AromaticContact CZ-CG 3.98Å; F79-F114 HydrophobicContact CZ-CG 3.98Å; F79-F114 HydrophobicContact CZ-CZ 4.15Å; F79-F117 HydrophobicContact CB-CD2 3.86Å; F79-F117 HydrophobicContact CB-CE1 4.39Å; F79-F117 HydrophobicContact CB-CE2 3.71Å; F79-F117 HydrophobicContact CB-CG 4.29Å; F79-F117 HydrophobicContact CB-CZ 4Å; F79-F117 HydrophobicContact CD1-CB 3.73Å; F79-F117 HydrophobicContact CD1-CD1 4.5Å; F79-F117 AromaticContact CD1-CD2 3.38Å; F79-F117 HydrophobicContact CD1-CD2 3.38Å; F79-F117 HydrophobicContact CD1-CE2 4.12Å; F79-F117 AromaticContact CD1-CG 3.63Å; F79-F117 HydrophobicContact CD1-CG 3.63Å; F79-F117 AromaticContact CD2-CD2 3.5Å; F79-F117 HydrophobicContact CD2-CD2 3.5Å; F79-F117 VanDerWaalsContact CD2-CD2 3.5Å; F79-F117 AromaticContact CD2-CE2 3.56Å; F79-F117 HydrophobicContact CD2-CE2 3.56Å; F79-F117 HydrophobicContact CE1-CB 3.77Å; F79-F117 AromaticContact CE1-CD2 3.7Å; F79-F117 HydrophobicContact CE1-CD2 3.7Å; F79-F117 HydrophobicContact CE1-CG 4.04Å; F79-F117 AromaticContact CE2-CD2 3.82Å; F79-F117 HydrophobicContact CE2-CD2 3.82Å; F79-F117 HydrophobicContact CE2-CE2 4.2Å; F79-F117 HydrophobicContact CG-CB 4.48Å; F79-F117 AromaticContact CG-CD2 3.26Å; F79-F117 HydrophobicContact CG-CD2 3.26Å; F79-F117 AromaticContact CG-CE2 3.51Å; F79-F117 HydrophobicContact CG-CE2 3.51Å; F79-F117 AromaticContact CG-CG 3.89Å; F79-F117 HydrophobicContact CG-CG 3.89Å; F79-F117 HydrophobicContact CG-CZ 4.29Å; F79-F117 AromaticContact CZ-CD2 3.9Å; F79-F117 HydrophobicContact CZ-CD2 3.9Å; F79-F151 HydrophobicContact CD1-CD1 4.47Å; F79-F151 AromaticContact CD1-CE1 3.88Å; F79-F151 HydrophobicContact CD1-CE1 3.88Å; F79-F151 AromaticContact CE1-CE1 3.73Å; F79-F151 HydrophobicContact CE1-CE1 3.73Å; F79-F151 AromaticContact CE1-CZ 3.93Å; F79-F151 HydrophobicContact CE1-CZ 3.93Å; F79-A153 HydrophobicContact CD1-CB 4.09Å |
| 80 | S | 98.8 | Very high | 97.2 | Very high | 21 Ų | 21 | 34.9 Ų | 34.9 | 15% | 0.147 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -54.8 | -48.8 | 179 | -65.2 | 0 | 0 | 0 | 0 | 112.5 | A76 S77 G84 F151 A153 | A76-S80 VanDerWaalsContact O-CB 3.27Å; A76-S80 WeakPolarHBondContact O-CB 3.29Å; A76-S80 PolarHBondContact O-N 3.32Å; A76-S80 PolarHBondContact O-OG 3.36Å; S77-S80 PolarHBondContact O-N 3.32Å; S80-G84 PolarHBondContact O-N 3.15Å; S80-F151 WeakPolarHBondContact CB-O 3.39Å; S80-F151 PolarHBondContact OG-O 3.28Å; S80-A153 WeakPolarHBondContact OG-CB 3.33Å; S80-A153 PolarHBondContact OG-N 3.24Å |
| 81 | R | 98.5 | Very high | 97.6 | Very high | 148 Ų | 148 | 37.3 Ų | 37.3 | 56% | 0.558 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -61.3 | -49.6 | 176.5 | 174.4 | 174.8 | 56.3 | 170.3 | -3.4 | 111 | S77 D78 F79 G84 D85 | S77-R81 WeakPolarHBondContact O-CB 3.41Å; S77-R81 PolarHBondContact O-N 2.96Å; D78-R81 PolarHBondContact O-N 2.75Å; D78-R81 IonicContact OD1-CZ 2.76Å; D78-R81 IonicContact OD1-NH2 4Å; D78-R81 PolarHBondContact OD1-NH2 3.39Å; F79-R81 PolarHBondContact O-N 2.64Å; R81-G84 PolarHBondContact O-N 2.79Å; R81-D85 VanDerWaalsContact O-CG 3.29Å; R81-D85 PolarHBondContact O-N 2.72Å |
| 82 | Y | 98.5 | Very high | 98.1 | Very high | 47 Ų | 47 | 37.1 Ų | 37.1 | 18% | 0.184 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.2 | -52.6 | -175.8 | -174.2 | -91.9 | 0 | 0 | 0 | 112.1 | F57 D58 E61 C62 D78 F79 G84 D85 L86 | F57-Y82 HydrophobicContact CD1-CE1 4.48Å; F57-Y82 HydrophobicContact CD2-CD1 4.25Å; F57-Y82 AromaticContact CD2-CE1 3.67Å; F57-Y82 HydrophobicContact CD2-CE1 3.67Å; F57-Y82 HydrophobicContact CE1-CE1 4.46Å; F57-Y82 AromaticContact CE2-CD1 3.86Å; F57-Y82 HydrophobicContact CE2-CD1 3.86Å; F57-Y82 AromaticContact CE2-CE1 3.67Å; F57-Y82 HydrophobicContact CE2-CE1 3.67Å; F57-Y82 HydrophobicContact CG-CE1 4.1Å; F57-Y82 HydrophobicContact CZ-CD1 4.29Å; F57-Y82 HydrophobicContact CZ-CE1 4.07Å; D58-Y82 WeakPolarHBondContact CB-OH 3.49Å; D58-Y82 PolarHBondContact N-OH 3.04Å; E61-Y82 HydrophobicContact CB-CE2 3.83Å; C62-Y82 HydrophobicContact CB-CD1 3.65Å; C62-Y82 HydrophobicContact CB-CD2 4.16Å; C62-Y82 HydrophobicContact CB-CE1 3.69Å; C62-Y82 HydrophobicContact CB-CE2 4.21Å; C62-Y82 HydrophobicContact CB-CG 3.9Å; C62-Y82 WeakPolarHBondContact SG-CD1 3.34Å; D78-Y82 VanDerWaalsContact O-CB 3.25Å; D78-Y82 WeakPolarHBondContact O-CB 3.45Å; D78-Y82 PolarHBondContact O-N 3.47Å; F79-Y82 PolarHBondContact O-N 3.43Å; F79-Y82 VanDerWaalsContact O-N 3.17Å; Y82-G84 VanDerWaalsContact C-N 3.32Å; Y82-G84 PolarHBondContact O-N 3.27Å; Y82-D85 PolarHBondContact O-N 3.03Å; Y82-L86 HydrophobicContact CD1-CD1 4.14Å; Y82-L86 HydrophobicContact CE1-CD1 3.64Å; Y82-L86 HydrophobicContact CE1-CG 4.46Å; Y82-L86 PolarHBondContact O-N 3.3Å |
| 83 | V | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -71.9 | -28.9 | -179.3 | -59.3 | 0 | 0 | 0 | 0 | 112.5 | F57 F79 D85 L86 G87 I88 F114 F151 | F57-V83 HydrophobicContact CE2-CG1 3.92Å; F79-V83 HydrophobicContact CD1-CG1 4.34Å; F79-V83 HydrophobicContact CD1-CG2 4.21Å; F79-V83 HydrophobicContact CD2-CG1 4.27Å; F79-V83 HydrophobicContact CE1-CG1 3.9Å; F79-V83 HydrophobicContact CE1-CG2 4.03Å; F79-V83 HydrophobicContact CE2-CG1 3.81Å; F79-V83 HydrophobicContact CZ-CG1 3.62Å; F79-V83 WeakPolarHBondContact O-CG2 3.21Å; F79-V83 PolarHBondContact O-N 2.76Å; V83-D85 VanDerWaalsContact C-N 3.34Å; V83-L86 CarbonylContact O-C 3.5Å; V83-L86 WeakPolarHBondContact O-CA 3.11Å; V83-L86 WeakPolarHBondContact O-CB 3.18Å; V83-L86 PolarHBondContact O-N 2.98Å; V83-L86 VanDerWaalsContact O-N 3.12Å; V83-G87 PolarHBondContact O-N 2.72Å; V83-I88 HydrophobicContact CB-CB 4.31Å; V83-I88 HydrophobicContact CB-CD1 4.23Å; V83-I88 WeakPolarHBondContact O-CB 3.1Å; V83-I88 PolarHBondContact O-N 3.17Å; V83-I88 VanDerWaalsContact O-N 3.15Å; V83-F114 HydrophobicContact CB-CE1 4.09Å; V83-F114 HydrophobicContact CB-CZ 4.15Å; V83-F114 HydrophobicContact CG1-CE1 3.78Å; V83-F114 HydrophobicContact CG1-CZ 3.57Å; V83-F114 HydrophobicContact CG2-CE1 4.33Å; V83-F151 HydrophobicContact CG2-CB 3.79Å; V83-F151 HydrophobicContact CG2-CD1 3.59Å; V83-F151 HydrophobicContact CG2-CD2 3.74Å; V83-F151 HydrophobicContact CG2-CE1 4Å; V83-F151 HydrophobicContact CG2-CE2 4.14Å; V83-F151 HydrophobicContact CG2-CG 3.42Å; V83-F151 VanDerWaalsContact CG2-CG 3.42Å; V83-F151 HydrophobicContact CG2-CZ 4.24Å |
| 84 | G | 98.3 | Very high | 98.2 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.8 | -39.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S80 R81 Y82 L86 G87 K148 R149 | S80-G84 PolarHBondContact O-N 3.15Å; R81-G84 PolarHBondContact O-N 2.79Å; Y82-G84 VanDerWaalsContact C-N 3.32Å; Y82-G84 PolarHBondContact O-N 3.27Å; G84-L86 PolarHBondContact O-N 2.83Å; G84-G87 WeakPolarHBondContact O-CA 3.38Å; G84-G87 PolarHBondContact O-N 2.92Å; G84-K148 WeakPolarHBondContact O-CA 3.29Å; G84-R149 CarbonylContact C-O 3.49Å; G84-R149 WeakPolarHBondContact CA-O 3.35Å; G84-R149 PolarHBondContact O-N 2.77Å |
| 85 | D | 97.8 | Very high | 98.3 | Very high | 77 Ų | 77 | 35.5 Ų | 35.5 | 41% | 0.412 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -67.2 | -22.2 | 173.9 | -67.7 | -21.9 | 0 | 0 | 0 | 112.4 | R81 Y82 V83 G87 K148 | R81-D85 VanDerWaalsContact O-CG 3.29Å; R81-D85 PolarHBondContact O-N 2.72Å; Y82-D85 PolarHBondContact O-N 3.03Å; V83-D85 VanDerWaalsContact C-N 3.34Å; D85-G87 PolarHBondContact O-N 3.33Å; D85-K148 VanDerWaalsContact OD1-CD 3.25Å; D85-K148 WeakPolarHBondContact OD1-CD 3.43Å; D85-K148 WeakPolarHBondContact OD1-CE 3.38Å; D85-K148 IonicContact OD1-NZ 3.61Å; D85-K148 PolarHBondContact OD1-NZ 3.06Å |
| 86 | L | 97.4 | Very high | 98.3 | Very high | 23 Ų | 23 | 31.9 Ų | 31.9 | 12% | 0.12 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 12.3 | 168.4 | -56.9 | 179.1 | 0 | 0 | 0 | 112.9 | L30 F57 Y82 V83 G84 I88 P146 | L30-L86 HydrophobicContact CD2-CD1 4.01Å; F57-L86 HydrophobicContact CB-CD1 4.48Å; F57-L86 HydrophobicContact CD2-CD1 3.91Å; Y82-L86 HydrophobicContact CD1-CD1 4.14Å; Y82-L86 HydrophobicContact CE1-CD1 3.64Å; Y82-L86 HydrophobicContact CE1-CG 4.46Å; Y82-L86 PolarHBondContact O-N 3.3Å; V83-L86 CarbonylContact O-C 3.5Å; V83-L86 WeakPolarHBondContact O-CA 3.11Å; V83-L86 WeakPolarHBondContact O-CB 3.18Å; V83-L86 PolarHBondContact O-N 2.98Å; V83-L86 VanDerWaalsContact O-N 3.12Å; G84-L86 PolarHBondContact O-N 2.83Å; L86-I88 VanDerWaalsContact C-N 3.31Å; L86-I88 HydrophobicContact CB-CD1 4.26Å; L86-I88 PolarHBondContact O-N 3Å; L86-P146 WeakPolarHBondContact O-CG 3.42Å |
| 87 | G | 97.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | 30.5 | 175 | 0 | 0 | 0 | 0 | 0 | 114.1 | R28 V83 G84 D85 E147 R149 | R28-G87 PolarHBondContact NE-O 3.3Å; V83-G87 PolarHBondContact O-N 2.72Å; G84-G87 WeakPolarHBondContact O-CA 3.38Å; G84-G87 PolarHBondContact O-N 2.92Å; D85-G87 PolarHBondContact O-N 3.33Å; G87-E147 WeakPolarHBondContact CA-O 3.45Å; G87-R149 VanDerWaalsContact O-CD 3.24Å; G87-R149 WeakPolarHBondContact O-CD 3.32Å |
| 88 | I | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | trans | -101.9 | 123 | 177 | -60.3 | 168.1 | 0 | 0 | 0 | 108.4 | R28 L30 V83 L86 T92 V94 F114 F151 | R28-I88 HydrophobicContact CB-CD1 4.49Å; R28-I88 HydrophobicContact CB-CG1 3.98Å; R28-I88 HydrophobicContact CG-CG1 3.88Å; L30-I88 HydrophobicContact CD1-CD1 3.84Å; L30-I88 HydrophobicContact CD2-CD1 4.18Å; L30-I88 HydrophobicContact CG-CD1 4.31Å; V83-I88 HydrophobicContact CB-CB 4.31Å; V83-I88 HydrophobicContact CB-CD1 4.23Å; V83-I88 WeakPolarHBondContact O-CB 3.1Å; V83-I88 PolarHBondContact O-N 3.17Å; V83-I88 VanDerWaalsContact O-N 3.15Å; L86-I88 VanDerWaalsContact C-N 3.31Å; L86-I88 HydrophobicContact CB-CD1 4.26Å; L86-I88 PolarHBondContact O-N 3Å; I88-T92 HydrophobicContact CG2-CG2 4.31Å; I88-V94 HydrophobicContact CD1-CG2 3.99Å; I88-V94 HydrophobicContact CG1-CG2 4.29Å; I88-V94 HydrophobicContact CG2-CG2 3.77Å; I88-F114 HydrophobicContact CD1-CE1 4.11Å; I88-F114 HydrophobicContact CD1-CZ 3.64Å; I88-F114 HydrophobicContact CG2-CE1 4.08Å; I88-F151 HydrophobicContact CG2-CD2 4Å; I88-F151 HydrophobicContact CG2-CE2 4.16Å | ||
| 89 | G | 98.4 | Very high | 98 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.01 | 13% | 0.125 | C | C | . | . | trans | -106.9 | 169.4 | 166 | 0 | 0 | 0 | 0 | 0 | 112 | D91 T92 D150 | G89-D91 PolarHBondContact O-N 3.27Å; G89-T92 PolarHBondContact N-OG1 2.67Å; G89-T92 VanDerWaalsContact O-CB 3.26Å; G89-T92 WeakPolarHBondContact O-CB 3.38Å; G89-T92 PolarHBondContact O-N 2.88Å; G89-T92 PolarHBondContact O-OG1 2.76Å; G89-D150 VanDerWaalsContact CA-O 3.3Å; G89-D150 WeakPolarHBondContact CA-O 3.48Å | ||
| 90 | N | 98.2 | Very high | 97.8 | Very high | 76 Ų | 76 | 26.5 Ų | 26.5 | 41% | 0.406 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -17.2 | -178.3 | -70.1 | 90.6 | 0 | 0 | 0 | 114.8 | H119 K152 | N90-H119 PolarHBondContact O-CE1 3.1Å; N90-H119 PolarHBondContact O-ND1 3.33Å; N90-K152 PolarHBondContact ND2-O 2.75Å; N90-K152 PolarHBondContact OD1-N 3.16Å |
| 91 | D | 97 | Very high | 97.5 | Very high | 72 Ų | 72 | 32 Ų | 32 | 39% | 0.385 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 5 | 178.9 | 68.8 | -25.7 | 0 | 0 | 0 | 114.2 | K26 G89 R149 | K26-D91 IonicContact NZ-OD2 2.98Å; K26-D91 PolarHBondContact NZ-OD2 3.38Å; G89-D91 PolarHBondContact O-N 3.27Å; D91-R149 IonicContact OD1-CZ 2.71Å; D91-R149 VanDerWaalsContact OD1-CZ 3.23Å; D91-R149 IonicContact OD1-NH1 3.04Å; D91-R149 PolarHBondContact OD1-NH1 3.4Å; D91-R149 IonicContact OD1-NH2 2.91Å; D91-R149 PolarHBondContact OD1-NH2 2.95Å; D91-R149 IonicContact OD2-NH2 3.89Å; D91-R149 PolarHBondContact OD2-NH2 3.48Å |
| 92 | T | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.155 | C | C | . | . | P | Polyproline II helix | trans | -83.4 | 142.1 | -178.1 | -47 | 0 | 0 | 0 | 0 | 109.5 | P25 R28 I88 G89 V94 H119 S121 R149 | P25-T92 PolarHBondContact O-OG1 3.14Å; R28-T92 HydrophobicContact CB-CG2 3.89Å; R28-T92 HydrophobicContact CG-CG2 3.53Å; I88-T92 HydrophobicContact CG2-CG2 4.31Å; G89-T92 PolarHBondContact N-OG1 2.67Å; G89-T92 VanDerWaalsContact O-CB 3.26Å; G89-T92 WeakPolarHBondContact O-CB 3.38Å; G89-T92 PolarHBondContact O-N 2.88Å; G89-T92 PolarHBondContact O-OG1 2.76Å; T92-V94 HydrophobicContact CG2-CG2 4.42Å; T92-H119 PolarHBondContact O-CE1 3.44Å; T92-H119 PolarHBondContact O-NE2 2.79Å; T92-S121 WeakPolarHBondContact O-CB 3.48Å; T92-S121 PolarHBondContact O-OG 2.87Å; T92-R149 PolarHBondContact OG1-NH1 2.93Å |
| 93 | H | 98.2 | Very high | 97.2 | Very high | 29 Ų | 29 | 27.9 Ų | 27.9 | 13% | 0.134 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 122.9 | 159.3 | -176.7 | -167 | 0 | 0 | 0 | 109.3 | W13 K26 L27 R28 S121 S123 | W13-H93 AromaticContact CH2-CE1 3.54Å; W13-H93 AromaticContact CH2-ND1 3.69Å; K26-H93 PolarHBondContact O-N 3.23Å; L27-H93 CarbonylContact C-O 3.52Å; L27-H93 VanDerWaalsContact CA-O 3.25Å; L27-H93 WeakPolarHBondContact CA-O 3.15Å; L27-H93 HydrophobicContact CD1-CB 4.02Å; L27-H93 WeakPolarHBondContact CD1-O 3.1Å; R28-H93 PolarHBondContact N-O 3.44Å; H93-S121 CarbonylContact C-O 3.59Å; H93-S121 WeakPolarHBondContact CA-O 3.3Å; H93-S121 VanDerWaalsContact CA-OG 3.29Å; H93-S121 WeakPolarHBondContact CA-OG 3.47Å; H93-S121 PolarHBondContact CD2-O 2.92Å; H93-S123 PolarHBondContact NE2-OG 3.37Å |
| 94 | V | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 130.2 | 177.7 | -178.5 | 0 | 0 | 0 | 0 | 109.7 | R28 L30 I88 T92 V96 F114 S121 V122 S123 | R28-V94 CarbonylContact O-C 3.52Å; R28-V94 WeakPolarHBondContact O-CA 3.45Å; L30-V94 HydrophobicContact CD1-CG1 3.57Å; L30-V94 HydrophobicContact CG-CG1 3.98Å; I88-V94 HydrophobicContact CD1-CG2 3.99Å; I88-V94 HydrophobicContact CG1-CG2 4.29Å; I88-V94 HydrophobicContact CG2-CG2 3.77Å; T92-V94 HydrophobicContact CG2-CG2 4.42Å; V94-V96 HydrophobicContact CG1-CG2 3.94Å; V94-F114 HydrophobicContact CG1-CD2 4.28Å; V94-F114 HydrophobicContact CG1-CE2 3.86Å; V94-F114 HydrophobicContact CG1-CZ 4.08Å; V94-F114 HydrophobicContact CG2-CD1 4.43Å; V94-F114 HydrophobicContact CG2-CE1 4.05Å; V94-F114 HydrophobicContact CG2-CZ 4.16Å; V94-S121 PolarHBondContact N-O 2.87Å; V94-V122 HydrophobicContact CB-CB 4.23Å; V94-V122 HydrophobicContact CB-CG2 3.94Å; V94-V122 HydrophobicContact CG1-CG2 4.1Å; V94-V122 CarbonylContact O-C 3.57Å; V94-V122 VanDerWaalsContact O-CA 3.23Å; V94-V122 WeakPolarHBondContact O-CA 3.38Å; V94-S123 PolarHBondContact O-N 3.15Å |
| 95 | V | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 121 | 170.6 | 178.2 | 0 | 0 | 0 | 0 | 108.5 | V9 W13 L14 L27 R28 V29 L30 S123 L125 | V9-V95 HydrophobicContact CG2-CG1 3.75Å; V9-V95 HydrophobicContact CG2-CG2 4.13Å; W13-V95 HydrophobicContact CH2-CG2 4.43Å; W13-V95 HydrophobicContact CZ3-CG2 3.93Å; L14-V95 HydrophobicContact CD2-CG1 4.13Å; L27-V95 HydrophobicContact CD1-CG2 3.75Å; R28-V95 PolarHBondContact O-N 3.3Å; V29-V95 CarbonylContact C-O 3.34Å; V29-V95 VanDerWaalsContact CA-O 3.31Å; V29-V95 WeakPolarHBondContact CA-O 3.25Å; L30-V95 PolarHBondContact N-O 2.78Å; V95-S123 CarbonylContact C-O 3.53Å; V95-S123 WeakPolarHBondContact CA-O 3.35Å; V95-L125 HydrophobicContact CG1-CB 4.21Å |
| 96 | V | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 136.3 | -178.7 | -164.9 | 0 | 0 | 0 | 0 | 110 | L30 V94 A107 V110 V122 S123 V124 L125 | L30-V96 HydrophobicContact CB-CG1 4.27Å; L30-V96 HydrophobicContact CB-CG2 4.38Å; L30-V96 HydrophobicContact CD1-CG2 4.47Å; L30-V96 WeakPolarHBondContact O-CA 3.18Å; V94-V96 HydrophobicContact CG1-CG2 3.94Å; V96-A107 HydrophobicContact CB-CB 4.28Å; V96-A107 HydrophobicContact CG1-CB 3.87Å; V96-V110 HydrophobicContact CG1-CB 3.81Å; V96-V110 HydrophobicContact CG1-CG1 3.97Å; V96-V110 HydrophobicContact CG1-CG2 4.26Å; V96-V110 HydrophobicContact CG2-CB 4.25Å; V96-V110 HydrophobicContact CG2-CG1 3.87Å; V96-V122 HydrophobicContact CG2-CG2 4.14Å; V96-S123 PolarHBondContact N-O 3.46Å; V96-V124 CarbonylContact O-C 3.57Å; V96-V124 WeakPolarHBondContact O-CA 3.38Å; V96-L125 PolarHBondContact O-N 3.12Å |
| 97 | Y | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 172.4 | 168.1 | 74.9 | -90.6 | 0 | 0 | 0 | 110.5 | V29 L30 D31 G32 H50 I51 A54 T99 L125 F129 | V29-Y97 HydrophobicContact CG1-CD1 3.89Å; V29-Y97 HydrophobicContact CG1-CE1 3.89Å; L30-Y97 VanDerWaalsContact O-CD1 3.27Å; L30-Y97 WeakPolarHBondContact O-CD1 3.44Å; L30-Y97 PolarHBondContact O-N 2.8Å; D31-Y97 HydrophobicContact CB-CE1 3.98Å; D31-Y97 HydrophobicContact CB-CE2 4.06Å; D31-Y97 WeakPolarHBondContact CB-OH 3.49Å; D31-Y97 PolarHBondContact OD2-OH 3.46Å; G32-Y97 PolarHBondContact N-O 2.99Å; H50-Y97 WeakPolarHBondContact CA-OH 3.33Å; H50-Y97 WeakPolarHBondContact CB-OH 3.41Å; I51-Y97 HydrophobicContact CB-CE1 3.92Å; I51-Y97 HydrophobicContact CD1-CD1 3.56Å; I51-Y97 HydrophobicContact CD1-CE1 3.64Å; I51-Y97 HydrophobicContact CD1-CG 4.04Å; I51-Y97 HydrophobicContact CG1-CD1 4.15Å; I51-Y97 HydrophobicContact CG1-CE1 3.68Å; I51-Y97 PolarHBondContact N-OH 2.98Å; A54-Y97 HydrophobicContact CB-CE1 4.15Å; Y97-T99 HydrophobicContact CE2-CG2 4.37Å; Y97-L125 HydrophobicContact CG-CD2 4.34Å; Y97-F129 HydrophobicContact CD2-CB 3.66Å; Y97-F129 HydrophobicContact CD2-CD2 4.37Å; Y97-F129 HydrophobicContact CD2-CG 4.37Å; Y97-F129 HydrophobicContact CE2-CB 3.74Å; Y97-F129 AromaticContact CE2-CD2 3.84Å; Y97-F129 HydrophobicContact CE2-CD2 3.84Å; Y97-F129 AromaticContact CE2-CG 3.98Å; Y97-F129 HydrophobicContact CE2-CG 3.98Å |
| 98 | D | 96.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 25.5 Ų | 25.5 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | trans | -139.5 | 169.8 | 164.6 | 61.5 | 68 | 0 | 0 | 0 | 110.3 | T33 S100 L105 S106 A107 F129 | T33-D98 WeakPolarHBondContact OG1-CA 3.43Å; D98-S100 WeakPolarHBondContact OD1-CB 3.43Å; D98-S100 PolarHBondContact OD1-N 2.81Å; D98-L105 PolarHBondContact OD1-N 2.81Å; D98-L105 PolarHBondContact OD2-N 3.32Å; D98-S106 PolarHBondContact OD2-N 2.73Å; D98-A107 HydrophobicContact CB-CB 4.35Å; D98-A107 WeakPolarHBondContact OD2-CB 3.29Å; D98-A107 PolarHBondContact OD2-N 2.9Å; D98-F129 WeakPolarHBondContact O-CB 3.25Å; D98-F129 PolarHBondContact O-N 3.11Å | ||
| 99 | T | 95 | Very high | 97.1 | Very high | 41 Ų | 41 | 25.6 Ų | 25.6 | 25% | 0.252 | 13% | 0.134 | S | C | . | . | trans | -94.8 | 20 | -177.2 | 68.2 | 0 | 0 | 0 | 0 | 113.7 | T33 Y97 F129 | T33-T99 WeakPolarHBondContact CG2-OG1 3.35Å; T33-T99 PolarHBondContact OG1-N 3.17Å; T33-T99 PolarHBondContact OG1-OG1 3.33Å; Y97-T99 HydrophobicContact CE2-CG2 4.37Å; T99-F129 HydrophobicContact CG2-CB 4.05Å; T99-F129 HydrophobicContact CG2-CD1 3.92Å; T99-F129 HydrophobicContact CG2-CG 4.17Å | ||
| 100 | S | 93.9 | Very high | 97.1 | Very high | 20 Ų | 20 | 25.5 Ų | 25.5 | 14% | 0.14 | 13% | 0.134 | C | C | . | . | trans | -66.7 | 141.1 | -178.6 | -173.6 | 0 | 0 | 0 | 0 | 112.6 | D98 F102 G103 | D98-S100 WeakPolarHBondContact OD1-CB 3.43Å; D98-S100 PolarHBondContact OD1-N 2.81Å; S100-F102 PolarHBondContact O-N 3.12Å; S100-F102 PolarHBondContact OG-N 3.38Å; S100-G103 WeakPolarHBondContact O-CA 3.31Å; S100-G103 PolarHBondContact O-N 3.2Å | ||
| 101 | D | 93.2 | Very high | 97.1 | Very high | 135 Ų | 135 | 22 Ų | 22 | 72% | 0.722 | 12% | 0.115 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -18.9 | 171.2 | -67.9 | -39.4 | 0 | 0 | 0 | 113.3 | G103 K130 | D101-G103 PolarHBondContact O-N 3.43Å; D101-K130 VanDerWaalsContact O-CD 3.31Å; D101-K130 WeakPolarHBondContact O-CD 3.45Å; D101-K130 WeakPolarHBondContact O-CE 3.38Å; D101-K130 PolarHBondContact O-NZ 3.16Å |
| 102 | F | 94.9 | Very high | 97.2 | Very high | 108 Ų | 108 | 18.5 Ų | 18.5 | 47% | 0.474 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -6.5 | 169.5 | -66.2 | -70.1 | 0 | 0 | 0 | 112.7 | S100 S104 F210 T211 L214 G218 | S100-F102 PolarHBondContact O-N 3.12Å; S100-F102 PolarHBondContact OG-N 3.38Å; F102-S104 PolarHBondContact O-N 2.92Å; F102-F210 HydrophobicContact CB-CE2 4.27Å; F102-F210 HydrophobicContact CD2-CE2 4.38Å; F102-F210 AromaticContact CD2-CZ 3.91Å; F102-F210 HydrophobicContact CD2-CZ 3.91Å; F102-F210 HydrophobicContact CE2-CZ 4.18Å; F102-F210 HydrophobicContact CG-CE2 4.22Å; F102-F210 HydrophobicContact CG-CZ 4.09Å; F102-T211 HydrophobicContact CD1-CG2 3.79Å; F102-T211 HydrophobicContact CE1-CG2 3.71Å; F102-T211 HydrophobicContact CZ-CG2 4.38Å; F102-L214 HydrophobicContact CB-CD1 4.45Å; F102-L214 WeakPolarHBondContact O-CD1 3.29Å; F102-G218 WeakPolarHBondContact O-CA 3.26Å |
| 103 | G | 94.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.01 | 10% | 0.096 | C | C | . | . | S | Bend | trans | 83 | -29.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113 | S100 D101 G127 G128 | S100-G103 WeakPolarHBondContact O-CA 3.31Å; S100-G103 PolarHBondContact O-N 3.2Å; D101-G103 PolarHBondContact O-N 3.43Å; G103-G127 CarbonylContact O-C 3.47Å; G103-G128 WeakPolarHBondContact O-CA 3.44Å; G103-G128 PolarHBondContact O-N 3.45Å; G103-G128 VanDerWaalsContact O-N 3.11Å |
| 104 | S | 96.7 | Very high | 97.3 | Very high | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.007 | 9% | 0.09 | C | C | . | . | trans | -154.8 | 138 | 171 | -172.7 | 0 | 0 | 0 | 0 | 111.2 | F102 P108 H253 | F102-S104 PolarHBondContact O-N 2.92Å; S104-P108 VanDerWaalsContact OG-CD 3.31Å; S104-P108 WeakPolarHBondContact OG-CD 3.45Å; S104-H253 PolarHBondContact O-CE1 3.46Å; S104-H253 VanDerWaalsContact O-CE1 3.26Å | ||
| 105 | L | 96.4 | Very high | 97.3 | Very high | 50 Ų | 50 | 18.5 Ų | 18.5 | 26% | 0.262 | 10% | 0.095 | S | C | . | . | S | Bend | trans | -137.2 | -59.4 | 175.7 | -175.5 | 73.6 | 0 | 0 | 0 | 111.6 | D98 F210 T250 H253 | D98-L105 PolarHBondContact OD1-N 2.81Å; D98-L105 PolarHBondContact OD2-N 3.32Å; L105-F210 HydrophobicContact CD1-CE1 4.28Å; L105-F210 HydrophobicContact CD1-CE2 4.06Å; L105-F210 HydrophobicContact CD1-CZ 3.69Å; L105-T250 HydrophobicContact CD1-CG2 3.74Å; L105-H253 PolarHBondContact O-NE2 2.67Å |
| 106 | S | 97.6 | Very high | 97.3 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.007 | 10% | 0.095 | C | C | . | . | S | Bend | trans | -109.2 | -18.4 | -171.1 | 51.5 | 0 | 0 | 0 | 0 | 113.8 | G32 Y34 D98 P108 R109 V110 | G32-S106 VanDerWaalsContact O-CB 3.29Å; G32-S106 WeakPolarHBondContact O-CB 3.35Å; G32-S106 PolarHBondContact O-OG 3.04Å; Y34-S106 PolarHBondContact N-OG 3.11Å; D98-S106 PolarHBondContact OD2-N 2.73Å; S106-P108 VanDerWaalsContact C-CD 3.45Å; S106-P108 VanDerWaalsContact C-N 3.3Å; S106-R109 VanDerWaalsContact O-CB 3.28Å; S106-R109 WeakPolarHBondContact O-CB 3.44Å; S106-R109 PolarHBondContact O-N 2.91Å; S106-V110 PolarHBondContact O-N 3.43Å |
| 107 | A | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -54.2 | -39.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | V96 D98 R109 V110 W111 V124 | V96-A107 HydrophobicContact CB-CB 4.28Å; V96-A107 HydrophobicContact CG1-CB 3.87Å; D98-A107 HydrophobicContact CB-CB 4.35Å; D98-A107 WeakPolarHBondContact OD2-CB 3.29Å; D98-A107 PolarHBondContact OD2-N 2.9Å; A107-R109 PolarHBondContact O-N 2.71Å; A107-V110 PolarHBondContact O-N 2.87Å; A107-W111 PolarHBondContact O-N 3.18Å; A107-V124 HydrophobicContact CB-CG1 4.04Å |
| 108 | P | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -63.5 | -28.5 | 175.7 | -26.7 | 39.7 | 0 | 0 | 0 | 113.4 | S104 S106 W112 V124 Y220 C252 L256 | S104-P108 VanDerWaalsContact OG-CD 3.31Å; S104-P108 WeakPolarHBondContact OG-CD 3.45Å; S106-P108 VanDerWaalsContact C-CD 3.45Å; S106-P108 VanDerWaalsContact C-N 3.3Å; P108-W112 WeakPolarHBondContact O-CB 3.37Å; P108-W112 PolarHBondContact O-N 2.81Å; P108-V124 HydrophobicContact CG-CG2 4.42Å; P108-Y220 WeakPolarHBondContact CG-OH 3.4Å; P108-C252 VanDerWaalsContact C-CB 3.44Å; P108-C252 HydrophobicContact CB-CB 3.87Å; P108-C252 VanDerWaalsContact O-CB 3.32Å; P108-C252 WeakPolarHBondContact O-CB 3.16Å; P108-L256 HydrophobicContact CB-CD2 4.31Å; P108-L256 HydrophobicContact CG-CD2 4.26Å |
| 109 | R | 98.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 0% | 0.004 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.9 | -49.4 | 173.9 | 169.5 | 58.2 | 178 | -159.7 | -0.4 | 110.9 | L59 N71 S106 A107 W111 W112 M113 G248 I249 D270 | L59-R109 HydrophobicContact CD1-CG 4.26Å; L59-R109 HydrophobicContact CD2-CG 3.71Å; N71-R109 PolarHBondContact O-NH2 2.98Å; S106-R109 VanDerWaalsContact O-CB 3.28Å; S106-R109 WeakPolarHBondContact O-CB 3.44Å; S106-R109 PolarHBondContact O-N 2.91Å; A107-R109 PolarHBondContact O-N 2.71Å; R109-W111 VanDerWaalsContact C-N 3.35Å; R109-W112 PolarHBondContact O-N 3.11Å; R109-M113 HydrophobicContact CG-SD 4.12Å; R109-M113 VanDerWaalsContact O-CG 3.29Å; R109-M113 WeakPolarHBondContact O-CG 3.35Å; R109-M113 PolarHBondContact O-N 2.65Å; R109-G248 PolarHBondContact NH1-O 3.04Å; R109-I249 HydrophobicContact CB-CG2 4.19Å; R109-I249 HydrophobicContact CG-CG1 4.47Å; R109-D270 IonicContact CZ-OD1 2.63Å; R109-D270 IonicContact NH1-OD1 3.19Å; R109-D270 PolarHBondContact NH1-OD1 3.04Å; R109-D270 IonicContact NH2-OD1 3Å; R109-D270 PolarHBondContact NH2-OD1 3.04Å; R109-D270 IonicContact NH2-OD2 3.56Å |
| 110 | V | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.2 | -42.6 | 178.3 | -178.3 | 0 | 0 | 0 | 0 | 110.5 | L30 F57 L59 V96 S106 A107 W112 M113 F114 | L30-V110 HydrophobicContact CD1-CG1 4.34Å; F57-V110 HydrophobicContact CD1-CB 4.36Å; F57-V110 HydrophobicContact CD1-CG1 3.88Å; F57-V110 HydrophobicContact CD1-CG2 3.54Å; F57-V110 HydrophobicContact CD2-CG1 3.86Å; F57-V110 HydrophobicContact CE1-CB 4.46Å; F57-V110 HydrophobicContact CE1-CG1 4.03Å; F57-V110 HydrophobicContact CE1-CG2 3.82Å; F57-V110 HydrophobicContact CE2-CG1 3.97Å; F57-V110 HydrophobicContact CG-CG1 3.82Å; F57-V110 HydrophobicContact CG-CG2 4.18Å; F57-V110 HydrophobicContact CZ-CG1 4.07Å; L59-V110 HydrophobicContact CD1-CG2 4.41Å; L59-V110 HydrophobicContact CD2-CG2 4.11Å; L59-V110 HydrophobicContact CG-CG2 4.26Å; V96-V110 HydrophobicContact CG1-CB 3.81Å; V96-V110 HydrophobicContact CG1-CG1 3.97Å; V96-V110 HydrophobicContact CG1-CG2 4.26Å; V96-V110 HydrophobicContact CG2-CB 4.25Å; V96-V110 HydrophobicContact CG2-CG1 3.87Å; S106-V110 PolarHBondContact O-N 3.43Å; A107-V110 PolarHBondContact O-N 2.87Å; V110-W112 VanDerWaalsContact C-N 3.31Å; V110-W112 PolarHBondContact O-N 2.84Å; V110-M113 WeakPolarHBondContact O-CB 3.44Å; V110-M113 PolarHBondContact O-N 3.44Å; V110-M113 VanDerWaalsContact O-N 3.16Å; V110-F114 HydrophobicContact CG1-CD2 4Å; V110-F114 HydrophobicContact CG1-CE2 3.74Å; V110-F114 VanDerWaalsContact O-CD2 3.29Å; V110-F114 WeakPolarHBondContact O-CD2 3.22Å; V110-F114 PolarHBondContact O-N 2.9Å |
| 111 | W | 98.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 23.9 Ų | 23.9 | 0% | 0.004 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -53.9 | -47.6 | 172.3 | 165.2 | 89.7 | 0 | 0 | 0 | 111.9 | A7 A107 R109 F114 R115 V122 V124 I255 L256 H259 | A7-W111 HydrophobicContact CB-CZ2 4.22Å; A107-W111 PolarHBondContact O-N 3.18Å; R109-W111 VanDerWaalsContact C-N 3.35Å; W111-F114 PolarHBondContact O-N 2.87Å; W111-R115 VanDerWaalsContact CH2-NH1 3.34Å; W111-R115 WeakPolarHBondContact O-CG 3.45Å; W111-R115 PolarHBondContact O-N 3.22Å; W111-V122 HydrophobicContact CB-CG2 4.34Å; W111-V122 HydrophobicContact CG-CG1 4.42Å; W111-V122 HydrophobicContact CG-CG2 4.48Å; W111-V122 PolarHBondContact NE1-O 3.32Å; W111-V124 HydrophobicContact CB-CG2 3.6Å; W111-V124 HydrophobicContact CG-CG2 3.88Å; W111-I255 HydrophobicContact CH2-CG2 4.15Å; W111-I255 HydrophobicContact CZ3-CB 4.38Å; W111-I255 HydrophobicContact CZ3-CG2 3.89Å; W111-L256 HydrophobicContact CD2-CD1 4.12Å; W111-L256 HydrophobicContact CE3-CB 4.2Å; W111-L256 HydrophobicContact CE3-CD1 4.32Å; W111-L256 HydrophobicContact CH2-CB 4.1Å; W111-L256 HydrophobicContact CH2-CD1 3.85Å; W111-L256 HydrophobicContact CZ2-CD1 3.61Å; W111-L256 HydrophobicContact CZ3-CB 3.82Å; W111-L256 HydrophobicContact CZ3-CD1 4.2Å; W111-H259 HydrophobicContact CH2-CB 3.97Å; W111-H259 HydrophobicContact CZ2-CB 4.3Å; W111-H259 AromaticContact CZ2-CD2 3.64Å; W111-H259 AromaticContact CZ2-CG 3.99Å |
| 112 | W | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.1 | -39.7 | 177.9 | 176.3 | 82 | 0 | 0 | 0 | 111.9 | L73 P108 R109 V110 F114 R115 V116 V160 C252 I255 L268 | L73-W112 HydrophobicContact CD1-CH2 3.52Å; L73-W112 HydrophobicContact CD1-CZ3 3.77Å; L73-W112 HydrophobicContact CD2-CE3 4.47Å; L73-W112 HydrophobicContact CD2-CH2 4.28Å; L73-W112 HydrophobicContact CD2-CZ3 3.63Å; L73-W112 HydrophobicContact CG-CH2 4.03Å; L73-W112 HydrophobicContact CG-CZ3 3.78Å; P108-W112 WeakPolarHBondContact O-CB 3.37Å; P108-W112 PolarHBondContact O-N 2.81Å; R109-W112 PolarHBondContact O-N 3.11Å; V110-W112 VanDerWaalsContact C-N 3.31Å; V110-W112 PolarHBondContact O-N 2.84Å; W112-F114 PolarHBondContact O-N 3.4Å; W112-R115 PolarHBondContact O-N 2.89Å; W112-R115 VanDerWaalsContact O-N 3.12Å; W112-V116 HydrophobicContact CD2-CB 4.41Å; W112-V116 HydrophobicContact CD2-CG1 4.37Å; W112-V116 HydrophobicContact CE3-CG1 4.19Å; W112-V116 HydrophobicContact CH2-CB 4.39Å; W112-V116 HydrophobicContact CH2-CG1 4.1Å; W112-V116 HydrophobicContact CH2-CG2 4.3Å; W112-V116 HydrophobicContact CZ2-CB 4.04Å; W112-V116 HydrophobicContact CZ2-CG1 4.25Å; W112-V116 HydrophobicContact CZ2-CG2 3.92Å; W112-V116 HydrophobicContact CZ3-CG1 4.06Å; W112-V116 PolarHBondContact O-N 3.17Å; W112-V160 HydrophobicContact CH2-CG2 4.17Å; W112-V160 HydrophobicContact CZ2-CG2 4.37Å; W112-C252 HydrophobicContact CB-CB 4.17Å; W112-I255 HydrophobicContact CG-CD1 4.37Å; W112-L268 HydrophobicContact CD2-CD2 4.04Å; W112-L268 HydrophobicContact CE3-CD2 3.77Å; W112-L268 HydrophobicContact CH2-CB 3.89Å; W112-L268 HydrophobicContact CH2-CD2 3.51Å; W112-L268 HydrophobicContact CH2-CG 4.25Å; W112-L268 HydrophobicContact CZ2-CB 3.47Å; W112-L268 VanDerWaalsContact CZ2-CB 3.47Å; W112-L268 HydrophobicContact CZ2-CD2 3.83Å; W112-L268 HydrophobicContact CZ2-CG 4.28Å; W112-L268 HydrophobicContact CZ3-CD2 3.49Å; W112-L268 VanDerWaalsContact CZ3-CD2 3.49Å |
| 113 | M | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 12.4 Ų | 12.4 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -57.2 | -47.3 | 175.9 | -71.9 | 171.1 | 70.8 | 0 | 0 | 111.6 | F57 L59 C62 L73 P74 F79 R109 V110 R115 V116 F117 | F57-M113 HydrophobicContact CE1-CE 4.2Å; F57-M113 HydrophobicContact CE1-SD 4.28Å; F57-M113 HydrophobicContact CZ-CE 3.87Å; F57-M113 HydrophobicContact CZ-SD 4.31Å; L59-M113 HydrophobicContact CD2-CE 4.46Å; L59-M113 HydrophobicContact CD2-SD 3.52Å; L59-M113 VanDerWaalsContact CD2-SD 3.52Å; C62-M113 HydrophobicContact CB-CE 4.39Å; C62-M113 VanDerWaalsContact O-CE 3.31Å; C62-M113 WeakPolarHBondContact O-CE 3.22Å; L73-M113 HydrophobicContact CD2-CE 4.5Å; L73-M113 HydrophobicContact CD2-CG 3.84Å; P74-M113 HydrophobicContact CG-CE 4.32Å; F79-M113 HydrophobicContact CD2-CE 4.16Å; F79-M113 HydrophobicContact CE2-CB 3.97Å; F79-M113 HydrophobicContact CE2-CE 4.1Å; F79-M113 HydrophobicContact CZ-CB 4.45Å; R109-M113 HydrophobicContact CG-SD 4.12Å; R109-M113 VanDerWaalsContact O-CG 3.29Å; R109-M113 WeakPolarHBondContact O-CG 3.35Å; R109-M113 PolarHBondContact O-N 2.65Å; V110-M113 WeakPolarHBondContact O-CB 3.44Å; V110-M113 PolarHBondContact O-N 3.44Å; V110-M113 VanDerWaalsContact O-N 3.16Å; M113-R115 VanDerWaalsContact C-N 3.31Å; M113-R115 PolarHBondContact O-N 2.78Å; M113-V116 WeakPolarHBondContact O-CG1 3.38Å; M113-V116 PolarHBondContact O-N 3.42Å; M113-F117 WeakPolarHBondContact O-CB 3.2Å; M113-F117 WeakPolarHBondContact O-CD2 3.44Å; M113-F117 PolarHBondContact O-N 3.26Å |
| 114 | F | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -57 | -46.1 | 174.3 | -84.3 | -76.5 | 0 | 0 | 0 | 111.8 | L30 F57 F79 V83 I88 V94 V110 W111 W112 F117 G118 H119 V122 F151 | L30-F114 HydrophobicContact CD1-CE2 3.62Å; L30-F114 HydrophobicContact CD1-CZ 3.84Å; F57-F114 HydrophobicContact CE2-CE2 4.32Å; F79-F114 HydrophobicContact CE1-CD1 4.06Å; F79-F114 HydrophobicContact CE1-CE1 4.19Å; F79-F114 AromaticContact CZ-CD1 3.77Å; F79-F114 HydrophobicContact CZ-CD1 3.77Å; F79-F114 HydrophobicContact CZ-CD2 4.3Å; F79-F114 AromaticContact CZ-CE1 3.86Å; F79-F114 HydrophobicContact CZ-CE1 3.86Å; F79-F114 HydrophobicContact CZ-CE2 4.36Å; F79-F114 AromaticContact CZ-CG 3.98Å; F79-F114 HydrophobicContact CZ-CG 3.98Å; F79-F114 HydrophobicContact CZ-CZ 4.15Å; V83-F114 HydrophobicContact CB-CE1 4.09Å; V83-F114 HydrophobicContact CB-CZ 4.15Å; V83-F114 HydrophobicContact CG1-CE1 3.78Å; V83-F114 HydrophobicContact CG1-CZ 3.57Å; V83-F114 HydrophobicContact CG2-CE1 4.33Å; I88-F114 HydrophobicContact CD1-CE1 4.11Å; I88-F114 HydrophobicContact CD1-CZ 3.64Å; I88-F114 HydrophobicContact CG2-CE1 4.08Å; V94-F114 HydrophobicContact CG1-CD2 4.28Å; V94-F114 HydrophobicContact CG1-CE2 3.86Å; V94-F114 HydrophobicContact CG1-CZ 4.08Å; V94-F114 HydrophobicContact CG2-CD1 4.43Å; V94-F114 HydrophobicContact CG2-CE1 4.05Å; V94-F114 HydrophobicContact CG2-CZ 4.16Å; V110-F114 HydrophobicContact CG1-CD2 4Å; V110-F114 HydrophobicContact CG1-CE2 3.74Å; V110-F114 VanDerWaalsContact O-CD2 3.29Å; V110-F114 WeakPolarHBondContact O-CD2 3.22Å; V110-F114 PolarHBondContact O-N 2.9Å; W111-F114 PolarHBondContact O-N 2.87Å; W112-F114 PolarHBondContact O-N 3.4Å; F114-F117 CarbonylContact O-C 3.55Å; F114-F117 PolarHBondContact O-N 3.23Å; F114-G118 PolarHBondContact O-N 3.21Å; F114-H119 CarbonylContact C-O 3.45Å; F114-H119 HydrophobicContact CB-CB 4.35Å; F114-H119 HydrophobicContact CD1-CB 4.23Å; F114-H119 AromaticContact CD1-CD2 3.66Å; F114-H119 WeakPolarHBondContact O-CA 3.1Å; F114-H119 WeakPolarHBondContact O-CB 3.36Å; F114-H119 PolarHBondContact O-N 3.34Å; F114-V122 HydrophobicContact CB-CB 4.03Å; F114-V122 HydrophobicContact CB-CG1 3.8Å; F114-V122 HydrophobicContact CB-CG2 4.06Å; F114-V122 HydrophobicContact CD2-CG2 4.02Å; F114-V122 HydrophobicContact CG-CB 4.44Å; F114-V122 HydrophobicContact CG-CG2 4.19Å; F114-F151 HydrophobicContact CD1-CE2 4.38Å; F114-F151 HydrophobicContact CD1-CZ 4.27Å; F114-F151 HydrophobicContact CE1-CE2 4.33Å; F114-F151 HydrophobicContact CE1-CZ 4.48Å |
| 115 | R | 98.4 | Very high | 98.3 | Very high | 27 Ų | 27 | 12.3 Ų | 12.3 | 10% | 0.102 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -68.3 | -42.8 | -177.9 | -64.8 | -174.5 | 66.4 | -117.5 | -4.9 | 113 | W111 W112 M113 F117 G118 H119 V122 W159 | W111-R115 VanDerWaalsContact CH2-NH1 3.34Å; W111-R115 WeakPolarHBondContact O-CG 3.45Å; W111-R115 PolarHBondContact O-N 3.22Å; W112-R115 PolarHBondContact O-N 2.89Å; W112-R115 VanDerWaalsContact O-N 3.12Å; M113-R115 VanDerWaalsContact C-N 3.31Å; M113-R115 PolarHBondContact O-N 2.78Å; R115-F117 PolarHBondContact O-N 3.22Å; R115-G118 PolarHBondContact O-N 3.35Å; R115-H119 WeakPolarHBondContact CA-O 3.37Å; R115-H119 PolarHBondContact N-O 3.23Å; R115-V122 HydrophobicContact CG-CG1 3.58Å; R115-W159 HydrophobicContact CB-CZ3 3.93Å |
| 116 | V | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -66.3 | -26.1 | 177.7 | 77.3 | 0 | 0 | 0 | 0 | 111.1 | L73 W112 M113 G118 L155 N156 W159 V160 | L73-V116 HydrophobicContact CD1-CG1 4.12Å; L73-V116 HydrophobicContact CD2-CG1 4.13Å; W112-V116 HydrophobicContact CD2-CB 4.41Å; W112-V116 HydrophobicContact CD2-CG1 4.37Å; W112-V116 HydrophobicContact CE3-CG1 4.19Å; W112-V116 HydrophobicContact CH2-CB 4.39Å; W112-V116 HydrophobicContact CH2-CG1 4.1Å; W112-V116 HydrophobicContact CH2-CG2 4.3Å; W112-V116 HydrophobicContact CZ2-CB 4.04Å; W112-V116 HydrophobicContact CZ2-CG1 4.25Å; W112-V116 HydrophobicContact CZ2-CG2 3.92Å; W112-V116 HydrophobicContact CZ3-CG1 4.06Å; W112-V116 PolarHBondContact O-N 3.17Å; M113-V116 WeakPolarHBondContact O-CG1 3.38Å; M113-V116 PolarHBondContact O-N 3.42Å; V116-G118 VanDerWaalsContact C-N 3.28Å; V116-G118 PolarHBondContact O-N 2.86Å; V116-L155 HydrophobicContact CG1-CD1 4.37Å; V116-L155 HydrophobicContact CG2-CD1 3.91Å; V116-L155 CarbonylContact O-C 3.59Å; V116-L155 WeakPolarHBondContact O-CA 3.4Å; V116-N156 PolarHBondContact O-N 2.83Å; V116-W159 HydrophobicContact CB-CE3 4.3Å; V116-W159 HydrophobicContact CG2-CB 4.01Å; V116-W159 HydrophobicContact CG2-CE3 4.38Å; V116-V160 HydrophobicContact CG2-CG2 3.86Å |
| 117 | F | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 17.2 | 169.5 | -72 | -59.2 | 0 | 0 | 0 | 114.6 | L73 P74 A76 F79 M113 F114 R115 A153 S154 L155 | L73-F117 HydrophobicContact CD2-CE2 3.84Å; L73-F117 HydrophobicContact CD2-CZ 4.16Å; P74-F117 HydrophobicContact CG-CE2 4.17Å; P74-F117 HydrophobicContact CG-CZ 4.21Å; P74-F117 WeakPolarHBondContact O-CZ 3.43Å; A76-F117 HydrophobicContact CB-CD1 4.2Å; A76-F117 HydrophobicContact CB-CE1 4.06Å; F79-F117 HydrophobicContact CB-CD2 3.86Å; F79-F117 HydrophobicContact CB-CE1 4.39Å; F79-F117 HydrophobicContact CB-CE2 3.71Å; F79-F117 HydrophobicContact CB-CG 4.29Å; F79-F117 HydrophobicContact CB-CZ 4Å; F79-F117 HydrophobicContact CD1-CB 3.73Å; F79-F117 HydrophobicContact CD1-CD1 4.5Å; F79-F117 AromaticContact CD1-CD2 3.38Å; F79-F117 HydrophobicContact CD1-CD2 3.38Å; F79-F117 HydrophobicContact CD1-CE2 4.12Å; F79-F117 AromaticContact CD1-CG 3.63Å; F79-F117 HydrophobicContact CD1-CG 3.63Å; F79-F117 AromaticContact CD2-CD2 3.5Å; F79-F117 HydrophobicContact CD2-CD2 3.5Å; F79-F117 VanDerWaalsContact CD2-CD2 3.5Å; F79-F117 AromaticContact CD2-CE2 3.56Å; F79-F117 HydrophobicContact CD2-CE2 3.56Å; F79-F117 HydrophobicContact CE1-CB 3.77Å; F79-F117 AromaticContact CE1-CD2 3.7Å; F79-F117 HydrophobicContact CE1-CD2 3.7Å; F79-F117 HydrophobicContact CE1-CG 4.04Å; F79-F117 AromaticContact CE2-CD2 3.82Å; F79-F117 HydrophobicContact CE2-CD2 3.82Å; F79-F117 HydrophobicContact CE2-CE2 4.2Å; F79-F117 HydrophobicContact CG-CB 4.48Å; F79-F117 AromaticContact CG-CD2 3.26Å; F79-F117 HydrophobicContact CG-CD2 3.26Å; F79-F117 AromaticContact CG-CE2 3.51Å; F79-F117 HydrophobicContact CG-CE2 3.51Å; F79-F117 AromaticContact CG-CG 3.89Å; F79-F117 HydrophobicContact CG-CG 3.89Å; F79-F117 HydrophobicContact CG-CZ 4.29Å; F79-F117 AromaticContact CZ-CD2 3.9Å; F79-F117 HydrophobicContact CZ-CD2 3.9Å; M113-F117 WeakPolarHBondContact O-CB 3.2Å; M113-F117 WeakPolarHBondContact O-CD2 3.44Å; M113-F117 PolarHBondContact O-N 3.26Å; F114-F117 CarbonylContact O-C 3.55Å; F114-F117 PolarHBondContact O-N 3.23Å; R115-F117 PolarHBondContact O-N 3.22Å; F117-A153 HydrophobicContact CB-CB 3.93Å; F117-A153 HydrophobicContact CD1-CB 3.96Å; F117-A153 HydrophobicContact CG-CB 4.15Å; F117-S154 CarbonylContact C-O 3.55Å; F117-S154 WeakPolarHBondContact CA-O 3.3Å; F117-S154 PolarHBondContact O-N 3.38Å; F117-L155 HydrophobicContact CD1-CB 4.02Å; F117-L155 HydrophobicContact CD1-CD1 3.97Å; F117-L155 HydrophobicContact CE1-CB 3.99Å; F117-L155 HydrophobicContact CE1-CD1 3.63Å; F117-L155 HydrophobicContact CE1-CG 4.29Å; F117-L155 HydrophobicContact CZ-CD1 4.2Å |
| 118 | G | 97.6 | Very high | 98.3 | Very high | 54 Ų | 54 | 11.4 Ų | 11.4 | 56% | 0.557 | 8% | 0.081 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84.5 | 14.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 115 | F114 R115 V116 S154 | F114-G118 PolarHBondContact O-N 3.21Å; R115-G118 PolarHBondContact O-N 3.35Å; V116-G118 VanDerWaalsContact C-N 3.28Å; V116-G118 PolarHBondContact O-N 2.86Å; G118-S154 PolarHBondContact N-O 2.91Å |
| 119 | H | 98.2 | Very high | 98.3 | Very high | 6 Ų | 6 | 12.4 Ų | 12.4 | 3% | 0.028 | 9% | 0.085 | C | C | . | . | trans | -111 | 100.1 | 179.1 | -173.1 | 82.5 | 0 | 0 | 0 | 111.3 | N90 T92 F114 R115 S121 V122 F151 | N90-H119 PolarHBondContact O-CE1 3.1Å; N90-H119 PolarHBondContact O-ND1 3.33Å; T92-H119 PolarHBondContact O-CE1 3.44Å; T92-H119 PolarHBondContact O-NE2 2.79Å; F114-H119 CarbonylContact C-O 3.45Å; F114-H119 HydrophobicContact CB-CB 4.35Å; F114-H119 HydrophobicContact CD1-CB 4.23Å; F114-H119 AromaticContact CD1-CD2 3.66Å; F114-H119 WeakPolarHBondContact O-CA 3.1Å; F114-H119 WeakPolarHBondContact O-CB 3.36Å; F114-H119 PolarHBondContact O-N 3.34Å; R115-H119 WeakPolarHBondContact CA-O 3.37Å; R115-H119 PolarHBondContact N-O 3.23Å; H119-S121 PolarHBondContact NE2-O 3.38Å; H119-V122 WeakPolarHBondContact O-CG1 3.14Å; H119-F151 HydrophobicContact CB-CE2 4.06Å; H119-F151 HydrophobicContact CB-CZ 3.69Å; H119-F151 AromaticContact CG-CE2 3.87Å; H119-F151 AromaticContact ND1-CE2 3.75Å | ||
| 120 | S | 96.4 | Very high | 98.1 | Very high | 96 Ų | 96 | 16.2 Ų | 16.2 | 67% | 0.671 | 10% | 0.102 | S | C | * | . | trans | -83.2 | -12.8 | -178.3 | 58.7 | 0 | 0 | 0 | 0 | 114.2 | V122 | S120-V122 PolarHBondContact O-N 2.71Š| ||
| 121 | S | 97.8 | Very high | 98 | Very high | 20 Ų | 20 | 16.9 Ų | 16.9 | 14% | 0.14 | 11% | 0.106 | C | C | . | . | trans | -80.9 | 57.3 | -177.5 | -176.1 | 0 | 0 | 0 | 0 | 111 | I5 T92 H93 V94 H119 | I5-S121 WeakPolarHBondContact CD1-OG 3.44Å; T92-S121 WeakPolarHBondContact O-CB 3.48Å; T92-S121 PolarHBondContact O-OG 2.87Å; H93-S121 CarbonylContact C-O 3.59Å; H93-S121 WeakPolarHBondContact CA-O 3.3Å; H93-S121 VanDerWaalsContact CA-OG 3.29Å; H93-S121 WeakPolarHBondContact CA-OG 3.47Å; H93-S121 PolarHBondContact CD2-O 2.92Å; V94-S121 PolarHBondContact N-O 2.87Å; H119-S121 PolarHBondContact NE2-O 3.38Å | ||
| 122 | V | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.006 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 138.3 | -174.5 | 61 | 0 | 0 | 0 | 0 | 111.7 | V94 V96 W111 F114 R115 H119 S120 | V94-V122 HydrophobicContact CB-CB 4.23Å; V94-V122 HydrophobicContact CB-CG2 3.94Å; V94-V122 HydrophobicContact CG1-CG2 4.1Å; V94-V122 CarbonylContact O-C 3.57Å; V94-V122 VanDerWaalsContact O-CA 3.23Å; V94-V122 WeakPolarHBondContact O-CA 3.38Å; V96-V122 HydrophobicContact CG2-CG2 4.14Å; W111-V122 HydrophobicContact CB-CG2 4.34Å; W111-V122 HydrophobicContact CG-CG1 4.42Å; W111-V122 HydrophobicContact CG-CG2 4.48Å; W111-V122 PolarHBondContact NE1-O 3.32Å; F114-V122 HydrophobicContact CB-CB 4.03Å; F114-V122 HydrophobicContact CB-CG1 3.8Å; F114-V122 HydrophobicContact CB-CG2 4.06Å; F114-V122 HydrophobicContact CD2-CG2 4.02Å; F114-V122 HydrophobicContact CG-CB 4.44Å; F114-V122 HydrophobicContact CG-CG2 4.19Å; R115-V122 HydrophobicContact CG-CG1 3.58Å; H119-V122 WeakPolarHBondContact O-CG1 3.14Å; S120-V122 PolarHBondContact O-N 2.71Å |
| 123 | S | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 153.7 | -178.6 | -51.6 | 0 | 0 | 0 | 0 | 111.2 | H6 A7 H93 V94 V95 V96 | H6-S123 WeakPolarHBondContact O-CB 2.96Å; H6-S123 PolarHBondContact O-OG 3.36Å; A7-S123 CarbonylContact O-C 3.59Å; A7-S123 WeakPolarHBondContact O-CA 3.46Å; H93-S123 PolarHBondContact NE2-OG 3.37Å; V94-S123 PolarHBondContact O-N 3.15Å; V95-S123 CarbonylContact C-O 3.53Å; V95-S123 WeakPolarHBondContact CA-O 3.35Å; V96-S123 PolarHBondContact N-O 3.46Å |
| 124 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 139.8 | 166.4 | 177.3 | 0 | 0 | 0 | 0 | 109.4 | A7 V8 V9 V96 A107 P108 W111 D126 Y220 L256 | A7-V124 PolarHBondContact O-N 2.76Å; V8-V124 CarbonylContact C-O 3.21Å; V8-V124 VanDerWaalsContact CA-O 3.29Å; V8-V124 WeakPolarHBondContact CA-O 3.5Å; V9-V124 PolarHBondContact N-O 3.22Å; V96-V124 CarbonylContact O-C 3.57Å; V96-V124 WeakPolarHBondContact O-CA 3.38Å; A107-V124 HydrophobicContact CB-CG1 4.04Å; P108-V124 HydrophobicContact CG-CG2 4.42Å; W111-V124 HydrophobicContact CB-CG2 3.6Å; W111-V124 HydrophobicContact CG-CG2 3.88Å; V124-D126 PolarHBondContact O-N 3.05Å; V124-Y220 HydrophobicContact CG1-CE2 4.43Å; V124-L256 HydrophobicContact CB-CD2 4.11Å; V124-L256 HydrophobicContact CG2-CD2 3.77Å |
| 125 | L | 98.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 117.2 | 171.9 | -173.6 | 65.2 | 0 | 0 | 0 | 110.1 | V9 L14 I51 V95 V96 Y97 G127 G128 W132 | V9-L125 HydrophobicContact CG2-CD1 4.38Å; L14-L125 HydrophobicContact CB-CD1 4.11Å; L14-L125 HydrophobicContact CD2-CD1 3.87Å; L14-L125 HydrophobicContact CD2-CD2 4.1Å; I51-L125 HydrophobicContact CD1-CD2 3.53Å; V95-L125 HydrophobicContact CG1-CB 4.21Å; V96-L125 PolarHBondContact O-N 3.12Å; Y97-L125 HydrophobicContact CG-CD2 4.34Å; L125-G127 PolarHBondContact O-N 3.41Å; L125-G128 PolarHBondContact O-N 2.79Å; L125-W132 HydrophobicContact CD2-CE3 4.43Å |
| 126 | D | 98.4 | Very high | 97.5 | Very high | 30 Ų | 30 | 30 Ų | 30 | 16% | 0.16 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | 124.2 | -177.3 | -156 | 13.1 | 0 | 0 | 0 | 111.8 | V8 V9 V124 G128 K219 Y220 | V8-D126 HydrophobicContact CG1-CB 3.44Å; V8-D126 VanDerWaalsContact CG1-CB 3.44Å; V9-D126 PolarHBondContact O-N 2.82Å; V124-D126 PolarHBondContact O-N 3.05Å; D126-G128 PolarHBondContact O-N 3.48Å; D126-K219 VanDerWaalsContact OD1-CA 3.27Å; D126-K219 WeakPolarHBondContact OD1-CA 3.37Å; D126-K219 WeakPolarHBondContact OD1-CB 3.34Å; D126-Y220 PolarHBondContact OD1-N 2.6Å |
| 127 | G | 97.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | 0.6 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | G103 L125 N131 G218 | G103-G127 CarbonylContact O-C 3.47Å; L125-G127 PolarHBondContact O-N 3.41Å; G127-N131 WeakPolarHBondContact O-CB 3.2Å; G127-N131 PolarHBondContact O-N 3.45Å; G127-N131 VanDerWaalsContact O-N 3.1Å; G127-G218 WeakPolarHBondContact CA-O 3.29Å |
| 128 | G | 97.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | 55.7 | -153.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | G103 L125 D126 K130 W132 | G103-G128 WeakPolarHBondContact O-CA 3.44Å; G103-G128 PolarHBondContact O-N 3.45Å; G103-G128 VanDerWaalsContact O-N 3.11Å; L125-G128 PolarHBondContact O-N 2.79Å; D126-G128 PolarHBondContact O-N 3.48Å; G128-K130 VanDerWaalsContact C-N 3.29Å; G128-K130 PolarHBondContact O-N 3.12Å; G128-W132 PolarHBondContact O-N 3.45Å |
| 129 | F | 96.9 | Very high | 97 | Very high | 21 Ų | 21 | 35.6 Ų | 35.6 | 9% | 0.092 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.6 | -32.2 | 180 | -166.7 | -119 | 0 | 0 | 0 | 112.5 | K49 I51 Y97 D98 T99 N131 W132 V133 V139 | K49-F129 HydrophobicContact CB-CE1 4.01Å; K49-F129 HydrophobicContact CB-CZ 3.77Å; K49-F129 WeakPolarHBondContact O-CZ 3.37Å; I51-F129 HydrophobicContact CG1-CD2 3.9Å; I51-F129 HydrophobicContact CG1-CE2 4.09Å; Y97-F129 HydrophobicContact CD2-CB 3.66Å; Y97-F129 HydrophobicContact CD2-CD2 4.37Å; Y97-F129 HydrophobicContact CD2-CG 4.37Å; Y97-F129 HydrophobicContact CE2-CB 3.74Å; Y97-F129 AromaticContact CE2-CD2 3.84Å; Y97-F129 HydrophobicContact CE2-CD2 3.84Å; Y97-F129 AromaticContact CE2-CG 3.98Å; Y97-F129 HydrophobicContact CE2-CG 3.98Å; D98-F129 WeakPolarHBondContact O-CB 3.25Å; D98-F129 PolarHBondContact O-N 3.11Å; T99-F129 HydrophobicContact CG2-CB 4.05Å; T99-F129 HydrophobicContact CG2-CD1 3.92Å; T99-F129 HydrophobicContact CG2-CG 4.17Å; F129-N131 VanDerWaalsContact C-N 3.34Å; F129-N131 PolarHBondContact O-N 2.9Å; F129-W132 HydrophobicContact CD2-CB 4.46Å; F129-W132 HydrophobicContact CD2-CG 4.48Å; F129-W132 AromaticContact CE2-CD1 3.93Å; F129-W132 WeakPolarHBondContact O-CB 3.03Å; F129-W132 PolarHBondContact O-N 3.41Å; F129-V133 HydrophobicContact CD1-CG2 4.01Å; F129-V133 HydrophobicContact CD2-CG2 4.39Å; F129-V133 HydrophobicContact CE1-CG2 3.6Å; F129-V133 HydrophobicContact CE2-CG2 4Å; F129-V133 HydrophobicContact CG-CG2 4.38Å; F129-V133 HydrophobicContact CZ-CG2 3.59Å; F129-V133 WeakPolarHBondContact O-CG2 3.3Å; F129-V133 PolarHBondContact O-N 3.35Å; F129-V139 HydrophobicContact CE2-CG1 3.99Å; F129-V139 HydrophobicContact CZ-CG1 3.76Å |
| 130 | K | 95.6 | Very high | 96.7 | Very high | 80 Ų | 80 | 36.8 Ų | 36.8 | 35% | 0.348 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -51.3 | -53.8 | 176.9 | 176.8 | -171.8 | 176.7 | -176.4 | 0 | 110.9 | D101 G128 V133 A134 | D101-K130 VanDerWaalsContact O-CD 3.31Å; D101-K130 WeakPolarHBondContact O-CD 3.45Å; D101-K130 WeakPolarHBondContact O-CE 3.38Å; D101-K130 PolarHBondContact O-NZ 3.16Å; G128-K130 VanDerWaalsContact C-N 3.29Å; G128-K130 PolarHBondContact O-N 3.12Å; K130-V133 PolarHBondContact O-N 3.22Å; K130-A134 WeakPolarHBondContact O-CB 3.36Å; K130-A134 PolarHBondContact O-N 3.41Å |
| 131 | N | 97.1 | Very high | 96.3 | Very high | 15 Ų | 15 | 36 Ų | 36 | 8% | 0.08 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -78.9 | -29.6 | -176.9 | -69.4 | 3.4 | 0 | 0 | 0 | 112.2 | G127 F129 V133 A134 D135 S217 K219 | G127-N131 WeakPolarHBondContact O-CB 3.2Å; G127-N131 PolarHBondContact O-N 3.45Å; G127-N131 VanDerWaalsContact O-N 3.1Å; F129-N131 VanDerWaalsContact C-N 3.34Å; F129-N131 PolarHBondContact O-N 2.9Å; N131-V133 VanDerWaalsContact C-N 3.29Å; N131-V133 PolarHBondContact O-N 3.43Å; N131-A134 PolarHBondContact O-N 3.28Å; N131-D135 VanDerWaalsContact O-CB 3.3Å; N131-D135 WeakPolarHBondContact O-CB 3.18Å; N131-D135 PolarHBondContact O-N 3.38Å; N131-S217 PolarHBondContact ND2-O 2.88Å; N131-S217 PolarHBondContact OD1-O 3.22Å; N131-K219 VanDerWaalsContact ND2-CE 3.27Å; N131-K219 WeakPolarHBondContact ND2-CE 3.48Å |
| 132 | W | 97.5 | Very high | 95.6 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.008 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -54.1 | -46.6 | 169.4 | 177.5 | -85.7 | 0 | 0 | 0 | 112.2 | A11 L14 A15 I51 L125 G128 F129 H137 P138 | A11-W132 HydrophobicContact CB-CE3 4.24Å; L14-W132 HydrophobicContact CB-CZ3 3.99Å; L14-W132 HydrophobicContact CD2-CE3 4.39Å; L14-W132 HydrophobicContact CD2-CZ3 3.92Å; L14-W132 HydrophobicContact CG-CH2 4.36Å; L14-W132 HydrophobicContact CG-CZ3 3.86Å; A15-W132 HydrophobicContact CB-CH2 3.93Å; A15-W132 HydrophobicContact CB-CZ3 3.95Å; I51-W132 HydrophobicContact CD1-CD2 3.8Å; I51-W132 HydrophobicContact CD1-CE3 3.91Å; I51-W132 HydrophobicContact CD1-CG 4.1Å; I51-W132 HydrophobicContact CD1-CZ3 4.42Å; I51-W132 HydrophobicContact CG1-CD2 3.93Å; I51-W132 HydrophobicContact CG1-CE3 4.49Å; I51-W132 HydrophobicContact CG1-CG 4.07Å; I51-W132 HydrophobicContact CG1-CZ2 4.43Å; I51-W132 HydrophobicContact CG2-CH2 3.96Å; I51-W132 HydrophobicContact CG2-CZ2 3.74Å; I51-W132 HydrophobicContact CG2-CZ3 4.5Å; L125-W132 HydrophobicContact CD2-CE3 4.43Å; G128-W132 PolarHBondContact O-N 3.45Å; F129-W132 HydrophobicContact CD2-CB 4.46Å; F129-W132 HydrophobicContact CD2-CG 4.48Å; F129-W132 AromaticContact CE2-CD1 3.93Å; F129-W132 WeakPolarHBondContact O-CB 3.03Å; F129-W132 PolarHBondContact O-N 3.41Å; W132-H137 HydrophobicContact CD2-CB 3.59Å; W132-H137 AromaticContact CD2-CD2 3.82Å; W132-H137 HydrophobicContact CE3-CB 4.12Å; W132-H137 AromaticContact CE3-CD2 3.57Å; W132-H137 HydrophobicContact CG-CB 3.99Å; W132-H137 HydrophobicContact CH2-CB 4.15Å; W132-H137 HydrophobicContact CZ2-CB 3.61Å; W132-H137 HydrophobicContact CZ3-CB 4.37Å; W132-H137 AromaticContact CZ3-CD2 3.91Å; W132-H137 WeakPolarHBondContact O-CB 3.12Å; W132-H137 PolarHBondContact O-N 2.89Å; W132-H137 VanDerWaalsContact O-N 3.14Å; W132-P138 PolarHBondContact NE1-O 2.8Å |
| 133 | V | 96.1 | Very high | 94.9 | Very high | 70 Ų | 70 | 44.2 Ų | 44.2 | 42% | 0.424 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -70.8 | -42.6 | 177.4 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | F129 K130 N131 D135 G136 V139 | F129-V133 HydrophobicContact CD1-CG2 4.01Å; F129-V133 HydrophobicContact CD2-CG2 4.39Å; F129-V133 HydrophobicContact CE1-CG2 3.6Å; F129-V133 HydrophobicContact CE2-CG2 4Å; F129-V133 HydrophobicContact CG-CG2 4.38Å; F129-V133 HydrophobicContact CZ-CG2 3.59Å; F129-V133 WeakPolarHBondContact O-CG2 3.3Å; F129-V133 PolarHBondContact O-N 3.35Å; K130-V133 PolarHBondContact O-N 3.22Å; N131-V133 VanDerWaalsContact C-N 3.29Å; N131-V133 PolarHBondContact O-N 3.43Å; V133-D135 VanDerWaalsContact C-N 3.26Å; V133-D135 PolarHBondContact O-N 3.09Å; V133-G136 PolarHBondContact O-N 3.26Å; V133-V139 HydrophobicContact CG2-CG1 4.06Å |
| 134 | A | 95.7 | Very high | 94 | Very high | 79 Ų | 79 | 47 Ų | 47 | 65% | 0.653 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -61 | -35.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | K130 N131 G136 | K130-A134 WeakPolarHBondContact O-CB 3.36Å; K130-A134 PolarHBondContact O-N 3.41Å; N131-A134 PolarHBondContact O-N 3.28Å; A134-G136 PolarHBondContact O-N 2.89Å |
| 135 | D | 96.3 | Very high | 93.4 | Very high | 86 Ų | 86 | 56.8 Ų | 56.8 | 46% | 0.46 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | 3.7 | 176.4 | -66.8 | -14.5 | 0 | 0 | 0 | 112.6 | N131 V133 H137 | N131-D135 VanDerWaalsContact O-CB 3.3Å; N131-D135 WeakPolarHBondContact O-CB 3.18Å; N131-D135 PolarHBondContact O-N 3.38Å; V133-D135 VanDerWaalsContact C-N 3.26Å; V133-D135 PolarHBondContact O-N 3.09Å; D135-H137 VanDerWaalsContact C-N 3.31Å; D135-H137 PolarHBondContact O-N 2.83Å |
| 136 | G | 96.3 | Very high | 93.1 | Very high | 67 Ų | 67 | 57.7 Ų | 57.7 | 69% | 0.691 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71 | 22.9 | 176 | 0 | 0 | 0 | 0 | 0 | 114 | V133 A134 | V133-G136 PolarHBondContact O-N 3.26Å; A134-G136 PolarHBondContact O-N 2.89Å |
| 137 | H | 96.7 | Very high | 93 | Very high | 23 Ų | 23 | 64.4 Ų | 64.4 | 11% | 0.106 | 37% | 0.369 | C | S | . | . | trans | -74.8 | 153.7 | 179 | -62.2 | -28.2 | 0 | 0 | 0 | 112.3 | W132 D135 | W132-H137 HydrophobicContact CD2-CB 3.59Å; W132-H137 AromaticContact CD2-CD2 3.82Å; W132-H137 HydrophobicContact CE3-CB 4.12Å; W132-H137 AromaticContact CE3-CD2 3.57Å; W132-H137 HydrophobicContact CG-CB 3.99Å; W132-H137 HydrophobicContact CH2-CB 4.15Å; W132-H137 HydrophobicContact CZ2-CB 3.61Å; W132-H137 HydrophobicContact CZ3-CB 4.37Å; W132-H137 AromaticContact CZ3-CD2 3.91Å; W132-H137 WeakPolarHBondContact O-CB 3.12Å; W132-H137 PolarHBondContact O-N 2.89Å; W132-H137 VanDerWaalsContact O-N 3.14Å; D135-H137 VanDerWaalsContact C-N 3.31Å; D135-H137 PolarHBondContact O-N 2.83Å | ||
| 138 | P | 94.3 | Very high | 93 | Very high | 84 Ų | 84 | 70.5 Ų | 70.5 | 55% | 0.545 | 40% | 0.395 | S | S | . | . | trans | -61.7 | 146.6 | -176.2 | -23.2 | 34.2 | 0 | 0 | 0 | 113.1 | P52 W132 | P52-P138 WeakPolarHBondContact CD-O 3.41Å; P52-P138 HydrophobicContact CG-CB 4.14Å; W132-P138 PolarHBondContact NE1-O 2.8Å | ||
| 139 | V | 94.4 | Very high | 93 | Very high | 65 Ų | 65 | 73.5 Ų | 73.5 | 39% | 0.394 | 41% | 0.407 | S | S | . | . | trans | -124.4 | 154.4 | 174.7 | -62 | 0 | 0 | 0 | 0 | 110.3 | K49 H50 F129 V133 | K49-V139 HydrophobicContact CB-CB 4.44Å; K49-V139 HydrophobicContact CD-CG2 4.34Å; H50-V139 CarbonylContact O-C 3.59Å; H50-V139 WeakPolarHBondContact O-CA 3.36Å; F129-V139 HydrophobicContact CE2-CG1 3.99Å; F129-V139 HydrophobicContact CZ-CG1 3.76Å; V133-V139 HydrophobicContact CG2-CG1 4.06Å | ||
| 140 | A | 91.7 | Very high | 93.1 | Very high | 30 Ų | 30 | 79.5 Ų | 79.5 | 25% | 0.248 | 44% | 0.44 | C | S | . | . | B | Isolated β-bridge | trans | -123.2 | 162.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | K49 H50 P52 | K49-A140 WeakPolarHBondContact CA-O 3.34Å; H50-A140 WeakPolarHBondContact CE1-CB 3.18Å; H50-A140 PolarHBondContact N-O 2.88Å; H50-A140 PolarHBondContact O-N 3.08Å; P52-A140 HydrophobicContact CB-CB 4.29Å; P52-A140 HydrophobicContact CG-CB 4.19Å |
| 141 | S | 87 | Confident | 93.2 | Very high | 81 Ų | 81 | 76.5 Ų | 76.5 | 57% | 0.566 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -104.6 | -19.7 | -177.8 | 51.3 | 0 | 0 | 0 | 0 | 114.4 | H50 | H50-S141 VanDerWaalsContact NE2-C 3.27Š|
| 142 | D | 83.8 | Confident | 93.3 | Very high | 128 Ų | 128 | 83.7 Ų | 83.7 | 68% | 0.684 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -123.8 | 125.8 | -177.8 | -59.5 | -67.4 | 0 | 0 | 0 | 111.7 | H50 | H50-D142 PolarHBondContact CE1-O 3.14Å; H50-D142 WeakPolarHBondContact NE2-CA 3.42Å; H50-D142 PolarHBondContact NE2-N 3.19Å; H50-D142 PolarHBondContact NE2-O 3.18Å |
| 143 | Y | 84.2 | Confident | 93.3 | Very high | 65 Ų | 65 | 84.4 Ų | 84.4 | 26% | 0.255 | 46% | 0.463 | S | S | . | . | trans | -64.9 | 145.8 | 176 | -71.8 | -68.1 | 0 | 0 | 0 | 110.9 | D31 S47 H50 F56 | D31-Y143 HydrophobicContact CB-CE1 3.97Å; D31-Y143 PolarHBondContact OD2-OH 3.05Å; S47-Y143 WeakPolarHBondContact CB-OH 3.47Å; H50-Y143 HydrophobicContact CB-CD1 4.36Å; H50-Y143 HydrophobicContact CB-CE1 3.65Å; H50-Y143 AromaticContact CD2-CD1 3.75Å; H50-Y143 AromaticContact CD2-CE1 3.64Å; H50-Y143 AromaticContact CD2-CZ 3.89Å; H50-Y143 AromaticContact CG-CD1 3.84Å; H50-Y143 AromaticContact CG-CE1 3.59Å; H50-Y143 PolarHBondContact NE2-N 3.38Å; H50-Y143 VanDerWaalsContact NE2-N 3.18Å; F56-Y143 HydrophobicContact CB-CD1 4.38Å; F56-Y143 HydrophobicContact CB-CD2 4.18Å; F56-Y143 HydrophobicContact CB-CE1 4.08Å; F56-Y143 HydrophobicContact CB-CE2 3.84Å; F56-Y143 HydrophobicContact CB-CG 4.44Å; F56-Y143 HydrophobicContact CG-CE2 4.4Å | ||
| 144 | T | 79.4 | Confident | 93.4 | Very high | 57 Ų | 57 | 85 Ų | 85 | 35% | 0.35 | 47% | 0.471 | S | S | . | . | trans | -79 | 139.7 | 174 | 59.5 | 0 | 0 | 0 | 0 | 110.9 | G53 A54 S55 P146 | G53-T144 PolarHBondContact O-OG1 3.32Å; A54-T144 PolarHBondContact O-N 3.41Å; A54-T144 VanDerWaalsContact O-N 3.15Å; A54-T144 PolarHBondContact O-OG1 2.96Å; S55-T144 PolarHBondContact OG-O 3.43Å; S55-T144 VanDerWaalsContact OG-O 3.09Å; T144-P146 WeakPolarHBondContact O-CD 3.44Å | ||
| 145 | K | 86.4 | Confident | 93.6 | Very high | 206 Ų | 206 | 84.2 Ų | 84.2 | 90% | 0.896 | 46% | 0.455 | S | S | * | . | trans | -100.7 | 94.6 | 168.6 | -169.2 | 175.3 | -176.4 | 178.1 | 0 | 108.9 | ||||
| 146 | P | 93.4 | Very high | 93.6 | Very high | 21 Ų | 21 | 82.8 Ų | 82.8 | 14% | 0.136 | 45% | 0.448 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 162.3 | -177.6 | 29.6 | -34.9 | 0 | 0 | 0 | 112.3 | R28 L86 T144 K148 | R28-P146 VanDerWaalsContact CZ-CB 3.41Å; L86-P146 WeakPolarHBondContact O-CG 3.42Å; T144-P146 WeakPolarHBondContact O-CD 3.44Å; P146-K148 PolarHBondContact O-N 3.16Å |
| 147 | E | 95.5 | Very high | 93.7 | Very high | 170 Ų | 170 | 85.3 Ų | 85.3 | 79% | 0.794 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 134.8 | 165.9 | -67.5 | -175.1 | 167.3 | 0 | 0 | 110.3 | G87 | G87-E147 WeakPolarHBondContact CA-O 3.45Š|
| 148 | K | 97.4 | Very high | 93.7 | Very high | 129 Ų | 129 | 87.5 Ų | 87.5 | 56% | 0.561 | 46% | 0.459 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 141 | 176.9 | -179.4 | 175.5 | -178.3 | 139 | 0 | 110.4 | G84 D85 P146 | G84-K148 WeakPolarHBondContact O-CA 3.29Å; D85-K148 VanDerWaalsContact OD1-CD 3.25Å; D85-K148 WeakPolarHBondContact OD1-CD 3.43Å; D85-K148 WeakPolarHBondContact OD1-CE 3.38Å; D85-K148 IonicContact OD1-NZ 3.61Å; D85-K148 PolarHBondContact OD1-NZ 3.06Å; P146-K148 PolarHBondContact O-N 3.16Å |
| 149 | R | 98 | Very high | 93.9 | Very high | 65 Ų | 65 | 85.3 Ų | 85.3 | 25% | 0.245 | 44% | 0.44 | C | S | . | . | trans | -128.8 | 157.6 | 174.6 | -62.5 | -169.7 | 72.2 | -151.5 | -8.3 | 111.1 | P25 G84 G87 D91 T92 | P25-R149 PolarHBondContact O-NH1 2.98Å; G84-R149 CarbonylContact C-O 3.49Å; G84-R149 WeakPolarHBondContact CA-O 3.35Å; G84-R149 PolarHBondContact O-N 2.77Å; G87-R149 VanDerWaalsContact O-CD 3.24Å; G87-R149 WeakPolarHBondContact O-CD 3.32Å; D91-R149 IonicContact OD1-CZ 2.71Å; D91-R149 VanDerWaalsContact OD1-CZ 3.23Å; D91-R149 IonicContact OD1-NH1 3.04Å; D91-R149 PolarHBondContact OD1-NH1 3.4Å; D91-R149 IonicContact OD1-NH2 2.91Å; D91-R149 PolarHBondContact OD1-NH2 2.95Å; D91-R149 IonicContact OD2-NH2 3.89Å; D91-R149 PolarHBondContact OD2-NH2 3.48Å; T92-R149 PolarHBondContact OG1-NH1 2.93Å | ||
| 150 | D | 98 | Very high | 94.1 | Very high | 147 Ų | 147 | 83.2 Ų | 83.2 | 79% | 0.786 | 43% | 0.428 | S | S | * | . | trans | -79.5 | 127.4 | 171.8 | -66.7 | -31.7 | 0 | 0 | 0 | 110.4 | G89 | G89-D150 VanDerWaalsContact CA-O 3.3Å; G89-D150 WeakPolarHBondContact CA-O 3.48Å | ||
| 151 | F | 98.6 | Very high | 94.4 | Very high | 16 Ų | 16 | 83.4 Ų | 83.4 | 7% | 0.07 | 42% | 0.423 | C | S | . | . | trans | -124.1 | 133 | 170.8 | -172.1 | -85.5 | 0 | 0 | 0 | 108.8 | F79 S80 V83 I88 F114 H119 A153 | F79-F151 HydrophobicContact CD1-CD1 4.47Å; F79-F151 AromaticContact CD1-CE1 3.88Å; F79-F151 HydrophobicContact CD1-CE1 3.88Å; F79-F151 AromaticContact CE1-CE1 3.73Å; F79-F151 HydrophobicContact CE1-CE1 3.73Å; F79-F151 AromaticContact CE1-CZ 3.93Å; F79-F151 HydrophobicContact CE1-CZ 3.93Å; S80-F151 WeakPolarHBondContact CB-O 3.39Å; S80-F151 PolarHBondContact OG-O 3.28Å; V83-F151 HydrophobicContact CG2-CB 3.79Å; V83-F151 HydrophobicContact CG2-CD1 3.59Å; V83-F151 HydrophobicContact CG2-CD2 3.74Å; V83-F151 HydrophobicContact CG2-CE1 4Å; V83-F151 HydrophobicContact CG2-CE2 4.14Å; V83-F151 HydrophobicContact CG2-CG 3.42Å; V83-F151 VanDerWaalsContact CG2-CG 3.42Å; V83-F151 HydrophobicContact CG2-CZ 4.24Å; I88-F151 HydrophobicContact CG2-CD2 4Å; I88-F151 HydrophobicContact CG2-CE2 4.16Å; F114-F151 HydrophobicContact CD1-CE2 4.38Å; F114-F151 HydrophobicContact CD1-CZ 4.27Å; F114-F151 HydrophobicContact CE1-CE2 4.33Å; F114-F151 HydrophobicContact CE1-CZ 4.48Å; H119-F151 HydrophobicContact CB-CE2 4.06Å; H119-F151 HydrophobicContact CB-CZ 3.69Å; H119-F151 AromaticContact CG-CE2 3.87Å; H119-F151 AromaticContact ND1-CE2 3.75Å; F151-A153 HydrophobicContact CD1-CB 4.21Å; F151-A153 HydrophobicContact CE1-CB 3.88Å | ||
| 152 | K | 98.6 | Very high | 94.9 | Very high | 167 Ų | 167 | 81.4 Ų | 81.4 | 73% | 0.726 | 41% | 0.409 | S | S | * | . | trans | -110 | 103 | 173.8 | -175.2 | 176.3 | 179.6 | 178.6 | 0 | 109.3 | N90 | N90-K152 PolarHBondContact ND2-O 2.75Å; N90-K152 PolarHBondContact OD1-N 3.16Å | ||
| 153 | A | 98.6 | Very high | 95.6 | Very high | 16 Ų | 16 | 76.1 Ų | 76.1 | 13% | 0.132 | 38% | 0.379 | C | S | . | . | trans | -76.9 | 142.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | A76 F79 S80 F117 F151 | A76-A153 HydrophobicContact CB-CB 3.98Å; A76-A153 VanDerWaalsContact O-CB 3.31Å; A76-A153 WeakPolarHBondContact O-CB 3.28Å; F79-A153 HydrophobicContact CD1-CB 4.09Å; S80-A153 WeakPolarHBondContact OG-CB 3.33Å; S80-A153 PolarHBondContact OG-N 3.24Å; F117-A153 HydrophobicContact CB-CB 3.93Å; F117-A153 HydrophobicContact CD1-CB 3.96Å; F117-A153 HydrophobicContact CG-CB 4.15Å; F151-A153 HydrophobicContact CD1-CB 4.21Å; F151-A153 HydrophobicContact CE1-CB 3.88Å | ||
| 154 | S | 98.1 | Very high | 96.3 | Very high | 84 Ų | 84 | 77.7 Ų | 77.7 | 59% | 0.587 | 39% | 0.389 | S | S | * | . | trans | -131.9 | 105.2 | 169.2 | -178.4 | 0 | 0 | 0 | 0 | 108.7 | F117 G118 N156 | F117-S154 CarbonylContact C-O 3.55Å; F117-S154 WeakPolarHBondContact CA-O 3.3Å; F117-S154 PolarHBondContact O-N 3.38Å; G118-S154 PolarHBondContact N-O 2.91Å; S154-N156 PolarHBondContact O-N 3.38Å | ||
| 155 | L | 98.3 | Very high | 97.2 | Very high | 62 Ų | 62 | 77.9 Ų | 77.9 | 33% | 0.325 | 39% | 0.388 | S | S | . | . | trans | -67.6 | 124.4 | -178.1 | -179.5 | 65.9 | 0 | 0 | 0 | 111 | L73 V116 F117 Q157 V160 | L73-L155 HydrophobicContact CD1-CD1 4.25Å; V116-L155 HydrophobicContact CG1-CD1 4.37Å; V116-L155 HydrophobicContact CG2-CD1 3.91Å; V116-L155 CarbonylContact O-C 3.59Å; V116-L155 WeakPolarHBondContact O-CA 3.4Å; F117-L155 HydrophobicContact CD1-CB 4.02Å; F117-L155 HydrophobicContact CD1-CD1 3.97Å; F117-L155 HydrophobicContact CE1-CB 3.99Å; F117-L155 HydrophobicContact CE1-CD1 3.63Å; F117-L155 HydrophobicContact CE1-CG 4.29Å; F117-L155 HydrophobicContact CZ-CD1 4.2Å; L155-Q157 PolarHBondContact O-N 3Å; L155-V160 HydrophobicContact CD1-CG2 4.26Å | ||
| 156 | N | 98 | Very high | 97.8 | Very high | 56 Ų | 56 | 68 Ų | 68 | 30% | 0.299 | 35% | 0.345 | S | S | . | . | trans | -87.8 | 88 | 166.4 | -173.7 | -7.8 | 0 | 0 | 0 | 109.7 | V116 S154 S158 W159 | V116-N156 PolarHBondContact O-N 2.83Å; S154-N156 PolarHBondContact O-N 3.38Å; N156-S158 PolarHBondContact O-N 3.41Å; N156-S158 VanDerWaalsContact O-N 3.11Å; N156-S158 WeakPolarHBondContact OD1-CB 3.3Å; N156-S158 PolarHBondContact OD1-N 2.91Å; N156-S158 PolarHBondContact OD1-OG 3.49Å; N156-W159 VanDerWaalsContact ND2-CE2 3.3Å; N156-W159 PolarHBondContact ND2-NE1 2.63Å; N156-W159 PolarHBondContact O-N 3.19Å; N156-W159 VanDerWaalsContact O-N 3.15Å | ||
| 157 | Q | 97.4 | Very high | 98.1 | Very high | 120 Ų | 120 | 69.1 Ų | 69.1 | 56% | 0.561 | 35% | 0.349 | S | S | * | . | G | 310 helix | trans | -57.3 | -28.5 | -177.9 | -170.3 | 61 | 52.4 | 0 | 0 | 113.1 | L155 W159 V160 | L155-Q157 PolarHBondContact O-N 3Å; Q157-W159 PolarHBondContact O-N 2.84Å; Q157-W159 VanDerWaalsContact O-N 3.12Å; Q157-V160 PolarHBondContact O-N 3.13Å |
| 158 | S | 96.9 | Very high | 98.2 | Very high | 69 Ų | 69 | 65.8 Ų | 65.8 | 48% | 0.483 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -64 | -19.3 | -178.4 | 74.9 | 0 | 0 | 0 | 0 | 113.7 | N156 K161 | N156-S158 PolarHBondContact O-N 3.41Å; N156-S158 VanDerWaalsContact O-N 3.11Å; N156-S158 WeakPolarHBondContact OD1-CB 3.3Å; N156-S158 PolarHBondContact OD1-N 2.91Å; N156-S158 PolarHBondContact OD1-OG 3.49Å; S158-K161 WeakPolarHBondContact O-CE 3.36Å; S158-K161 PolarHBondContact O-NZ 2.94Å |
| 159 | W | 98 | Very high | 98.3 | Very high | 37 Ų | 37 | 60.3 Ų | 60.3 | 14% | 0.14 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -92.6 | -6.7 | 177.6 | -65.3 | 2.8 | 0 | 0 | 0 | 113.2 | R115 V116 N156 Q157 G267 L268 | R115-W159 HydrophobicContact CB-CZ3 3.93Å; V116-W159 HydrophobicContact CB-CE3 4.3Å; V116-W159 HydrophobicContact CG2-CB 4.01Å; V116-W159 HydrophobicContact CG2-CE3 4.38Å; N156-W159 VanDerWaalsContact ND2-CE2 3.3Å; N156-W159 PolarHBondContact ND2-NE1 2.63Å; N156-W159 PolarHBondContact O-N 3.19Å; N156-W159 VanDerWaalsContact O-N 3.15Å; Q157-W159 PolarHBondContact O-N 2.84Å; Q157-W159 VanDerWaalsContact O-N 3.12Å; W159-G267 CarbonylContact O-C 3.05Å; W159-G267 VanDerWaalsContact O-CA 3.25Å; W159-G267 WeakPolarHBondContact O-CA 3.28Å; W159-L268 PolarHBondContact O-N 3.14Å |
| 160 | V | 98.4 | Very high | 98.3 | Very high | 22 Ų | 22 | 58.6 Ų | 58.6 | 13% | 0.133 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 125.6 | 177.7 | -170.6 | 0 | 0 | 0 | 0 | 108 | L73 W112 V116 L155 Q157 D270 | L73-V160 HydrophobicContact CD1-CG1 4.19Å; L73-V160 HydrophobicContact CD1-CG2 3.49Å; L73-V160 VanDerWaalsContact CD1-CG2 3.49Å; W112-V160 HydrophobicContact CH2-CG2 4.17Å; W112-V160 HydrophobicContact CZ2-CG2 4.37Å; V116-V160 HydrophobicContact CG2-CG2 3.86Å; L155-V160 HydrophobicContact CD1-CG2 4.26Å; Q157-V160 PolarHBondContact O-N 3.13Å; V160-D270 HydrophobicContact CG1-CB 4.29Å |
| 161 | K | 98.6 | Very high | 98.3 | Very high | 33 Ų | 33 | 59.1 Ų | 59.1 | 14% | 0.143 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 137.4 | 178.8 | -53 | -62.7 | 156.3 | -164.7 | 0 | 109.8 | S158 D165 W242 L268 Y269 D270 | S158-K161 WeakPolarHBondContact O-CE 3.36Å; S158-K161 PolarHBondContact O-NZ 2.94Å; K161-D165 WeakPolarHBondContact CA-OD2 3.41Å; K161-D165 HydrophobicContact CB-CB 4.29Å; K161-D165 HydrophobicContact CD-CB 4.37Å; K161-W242 HydrophobicContact CB-CE3 4.45Å; K161-W242 HydrophobicContact CD-CD2 3.89Å; K161-W242 VanDerWaalsContact CD-CE2 3.46Å; K161-W242 HydrophobicContact CD-CE3 4.36Å; K161-W242 HydrophobicContact CD-CG 4.39Å; K161-W242 HydrophobicContact CD-CH2 4.14Å; K161-W242 HydrophobicContact CD-CZ2 3.63Å; K161-W242 HydrophobicContact CD-CZ3 4.47Å; K161-W242 VanDerWaalsContact CE-NE1 3.33Å; K161-W242 HydrophobicContact CG-CD2 3.66Å; K161-W242 HydrophobicContact CG-CE3 4.07Å; K161-W242 HydrophobicContact CG-CG 3.88Å; K161-W242 HydrophobicContact CG-CZ2 4.34Å; K161-L268 PolarHBondContact N-O 2.9Å; K161-Y269 WeakPolarHBondContact O-CD2 3.35Å; K161-D270 PolarHBondContact O-N 3.05Å |
| 162 | S | 98.3 | Very high | 98.3 | Very high | 39 Ų | 39 | 60.6 Ų | 60.6 | 27% | 0.273 | 31% | 0.312 | S | S | . | . | trans | -93.6 | 167.7 | 177.6 | 62.3 | 0 | 0 | 0 | 0 | 110.9 | E164 D165 V166 | S162-E164 WeakPolarHBondContact CB-OE2 3.25Å; S162-E164 PolarHBondContact O-N 2.84Å; S162-E164 PolarHBondContact OG-N 3.02Å; S162-D165 WeakPolarHBondContact CB-OD2 3.45Å; S162-D165 PolarHBondContact N-OD2 3.44Å; S162-D165 WeakPolarHBondContact O-CB 3.27Å; S162-D165 PolarHBondContact O-N 2.98Å; S162-D165 PolarHBondContact OG-N 2.81Å; S162-D165 VanDerWaalsContact OG-N 3.1Å; S162-D165 PolarHBondContact OG-OD2 2.9Å; S162-V166 PolarHBondContact O-N 3.31Å | ||
| 163 | Y | 98.4 | Very high | 98.2 | Very high | 18 Ų | 18 | 61 Ų | 61 | 7% | 0.071 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -55.1 | -40.5 | 167.6 | 168.9 | -98.9 | 0 | 0 | 0 | 111.9 | V166 L167 F276 R279 A280 | Y163-V166 PolarHBondContact O-N 3.05Å; Y163-L167 HydrophobicContact CD1-CD1 4Å; Y163-L167 HydrophobicContact CD1-CG 4.23Å; Y163-L167 HydrophobicContact CE1-CD1 3.23Å; Y163-L167 HydrophobicContact CE1-CD2 4.47Å; Y163-L167 HydrophobicContact CE1-CG 3.75Å; Y163-L167 HydrophobicContact CE2-CD1 4.4Å; Y163-L167 HydrophobicContact CE2-CD2 4.2Å; Y163-L167 HydrophobicContact CE2-CG 4.12Å; Y163-L167 VanDerWaalsContact CZ-CD1 3.47Å; Y163-L167 PolarHBondContact O-N 3.2Å; Y163-L167 WeakPolarHBondContact OH-CD1 2.85Å; Y163-F276 HydrophobicContact CD2-CD2 4.02Å; Y163-F276 AromaticContact CE2-CD2 3.98Å; Y163-F276 HydrophobicContact CE2-CD2 3.98Å; Y163-F276 HydrophobicContact CE2-CE2 4.22Å; Y163-R279 VanDerWaalsContact CB-NH1 3.29Å; Y163-R279 VanDerWaalsContact CD1-NH2 3.32Å; Y163-R279 HydrophobicContact CD2-CB 4.07Å; Y163-R279 HydrophobicContact CE1-CB 4.25Å; Y163-R279 HydrophobicContact CE2-CB 3.64Å; Y163-R279 PolarHBondContact OH-O 2.74Å; Y163-A280 HydrophobicContact CE2-CB 4.15Å; Y163-A280 WeakPolarHBondContact OH-CA 3.32Å |
| 164 | E | 98.6 | Very high | 98.2 | Very high | 98 Ų | 98 | 67.8 Ų | 67.8 | 46% | 0.458 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.2 | -41.2 | 178.8 | -68.2 | 69.9 | -155.8 | 0 | 0 | 111.8 | S162 V166 L167 E168 R279 | S162-E164 WeakPolarHBondContact CB-OE2 3.25Å; S162-E164 PolarHBondContact O-N 2.84Å; S162-E164 PolarHBondContact OG-N 3.02Å; E164-V166 VanDerWaalsContact C-N 3.31Å; E164-V166 PolarHBondContact O-N 2.92Å; E164-L167 PolarHBondContact O-N 3.49Å; E164-E168 PolarHBondContact O-N 3.08Å; E164-R279 IonicContact OE1-CZ 2.65Å; E164-R279 IonicContact OE1-NH1 3.55Å; E164-R279 PolarHBondContact OE1-NH1 2.77Å; E164-R279 IonicContact OE1-NH2 3.51Å; E164-R279 PolarHBondContact OE1-NH2 2.98Å; E164-R279 IonicContact OE2-NH1 3.42Å |
| 165 | D | 98.6 | Very high | 98.2 | Very high | 60 Ų | 60 | 64.9 Ų | 64.9 | 32% | 0.321 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60 | -42.5 | 174.3 | -65.7 | -55.9 | 0 | 0 | 0 | 111.3 | K161 S162 E168 N169 W242 | K161-D165 WeakPolarHBondContact CA-OD2 3.41Å; K161-D165 HydrophobicContact CB-CB 4.29Å; K161-D165 HydrophobicContact CD-CB 4.37Å; S162-D165 WeakPolarHBondContact CB-OD2 3.45Å; S162-D165 PolarHBondContact N-OD2 3.44Å; S162-D165 WeakPolarHBondContact O-CB 3.27Å; S162-D165 PolarHBondContact O-N 2.98Å; S162-D165 PolarHBondContact OG-N 2.81Å; S162-D165 VanDerWaalsContact OG-N 3.1Å; S162-D165 PolarHBondContact OG-OD2 2.9Å; D165-E168 PolarHBondContact O-N 3.07Å; D165-N169 WeakPolarHBondContact O-CB 3.22Å; D165-N169 PolarHBondContact O-N 3.4Å; D165-W242 HydrophobicContact CB-CH2 3.91Å; D165-W242 HydrophobicContact CB-CZ3 4.06Å |
| 166 | V | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -67.2 | -44.2 | 178.5 | 175.2 | 0 | 0 | 0 | 0 | 111 | S162 Y163 E164 E168 N169 I170 F202 Y269 F276 | S162-V166 PolarHBondContact O-N 3.31Å; Y163-V166 PolarHBondContact O-N 3.05Å; E164-V166 VanDerWaalsContact C-N 3.31Å; E164-V166 PolarHBondContact O-N 2.92Å; V166-E168 VanDerWaalsContact C-N 3.31Å; V166-E168 PolarHBondContact O-N 3.24Å; V166-N169 PolarHBondContact O-N 3.2Å; V166-I170 HydrophobicContact CG1-CD1 4.14Å; V166-I170 HydrophobicContact CG1-CG1 4.49Å; V166-I170 WeakPolarHBondContact O-CG1 3.26Å; V166-I170 PolarHBondContact O-N 3.43Å; V166-F202 HydrophobicContact CG1-CD1 4.46Å; V166-F202 HydrophobicContact CG1-CD2 4.1Å; V166-F202 HydrophobicContact CG1-CE1 4.48Å; V166-F202 HydrophobicContact CG1-CE2 4.11Å; V166-F202 HydrophobicContact CG1-CG 4.29Å; V166-F202 HydrophobicContact CG1-CZ 4.32Å; V166-Y269 HydrophobicContact CG2-CD1 3.69Å; V166-Y269 HydrophobicContact CG2-CD2 3.98Å; V166-Y269 HydrophobicContact CG2-CE1 4.05Å; V166-Y269 HydrophobicContact CG2-CE2 4.35Å; V166-Y269 HydrophobicContact CG2-CG 3.65Å; V166-F276 HydrophobicContact CG1-CD2 4.04Å; V166-F276 HydrophobicContact CG1-CE2 3.87Å |
| 167 | L | 98.4 | Very high | 98.3 | Very high | 44 Ų | 44 | 61 Ų | 61 | 23% | 0.23 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.4 | -43.2 | 175.9 | -78.1 | -170.1 | 0 | 0 | 0 | 112.4 | Y163 E164 I170 F276 L284 | Y163-L167 HydrophobicContact CD1-CD1 4Å; Y163-L167 HydrophobicContact CD1-CG 4.23Å; Y163-L167 HydrophobicContact CE1-CD1 3.23Å; Y163-L167 HydrophobicContact CE1-CD2 4.47Å; Y163-L167 HydrophobicContact CE1-CG 3.75Å; Y163-L167 HydrophobicContact CE2-CD1 4.4Å; Y163-L167 HydrophobicContact CE2-CD2 4.2Å; Y163-L167 HydrophobicContact CE2-CG 4.12Å; Y163-L167 VanDerWaalsContact CZ-CD1 3.47Å; Y163-L167 PolarHBondContact O-N 3.2Å; Y163-L167 WeakPolarHBondContact OH-CD1 2.85Å; E164-L167 PolarHBondContact O-N 3.49Å; L167-I170 HydrophobicContact CD2-CD1 4.49Å; L167-I170 PolarHBondContact O-N 2.92Å; L167-F276 HydrophobicContact CD2-CE2 4.22Å; L167-L284 HydrophobicContact CD2-CD1 3.46Å; L167-L284 VanDerWaalsContact CD2-CD1 3.46Å |
| 168 | E | 98.5 | Very high | 98.3 | Very high | 99 Ų | 99 | 55.3 Ų | 55.3 | 46% | 0.463 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.6 | -38.1 | 177.2 | -176.2 | 57.9 | -161.9 | 0 | 0 | 111.3 | E164 D165 V166 I170 K171 T172 | E164-E168 PolarHBondContact O-N 3.08Å; D165-E168 PolarHBondContact O-N 3.07Å; V166-E168 VanDerWaalsContact C-N 3.31Å; V166-E168 PolarHBondContact O-N 3.24Å; E168-I170 VanDerWaalsContact C-N 3.35Å; E168-I170 PolarHBondContact O-N 2.74Å; E168-K171 PolarHBondContact O-N 3.25Å; E168-T172 HydrophobicContact CG-CG2 4.22Å; E168-T172 WeakPolarHBondContact O-CG2 3.5Å; E168-T172 PolarHBondContact O-N 3.38Å; E168-T172 PolarHBondContact O-OG1 3.04Å; E168-T172 WeakPolarHBondContact OE1-CG2 3.41Å |
| 169 | N | 98.6 | Very high | 98.4 | Very high | 14 Ų | 14 | 52 Ų | 52 | 8% | 0.075 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68.1 | -31.6 | 176.9 | -169.7 | 57.8 | 0 | 0 | 0 | 113.2 | D165 V166 K171 T172 K173 K174 V175 V177 W242 | D165-N169 WeakPolarHBondContact O-CB 3.22Å; D165-N169 PolarHBondContact O-N 3.4Å; V166-N169 PolarHBondContact O-N 3.2Å; N169-K171 PolarHBondContact O-N 2.86Å; N169-T172 WeakPolarHBondContact CA-OG1 3.27Å; N169-T172 PolarHBondContact O-N 3.3Å; N169-K173 WeakPolarHBondContact O-CA 3.36Å; N169-K173 PolarHBondContact O-N 3.1Å; N169-K174 PolarHBondContact OD1-N 3.44Å; N169-V175 PolarHBondContact ND2-O 3.49Å; N169-V175 WeakPolarHBondContact OD1-CB 3.26Å; N169-V175 PolarHBondContact OD1-N 3.35Å; N169-V175 PolarHBondContact OD1-O 2.91Å; N169-V177 WeakPolarHBondContact ND2-CG2 3.26Å; N169-W242 HydrophobicContact CB-CH2 4.02Å; N169-W242 HydrophobicContact CB-CZ3 3.66Å |
| 170 | I | 98.4 | Very high | 98.5 | Very high | 30 Ų | 30 | 50.3 Ų | 50.3 | 15% | 0.154 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -58.4 | -37.9 | 172.4 | -73.2 | 164.9 | 0 | 0 | 0 | 110.9 | V166 L167 E168 F202 P203 F276 L284 | V166-I170 HydrophobicContact CG1-CD1 4.14Å; V166-I170 HydrophobicContact CG1-CG1 4.49Å; V166-I170 WeakPolarHBondContact O-CG1 3.26Å; V166-I170 PolarHBondContact O-N 3.43Å; L167-I170 HydrophobicContact CD2-CD1 4.49Å; L167-I170 PolarHBondContact O-N 2.92Å; E168-I170 VanDerWaalsContact C-N 3.35Å; E168-I170 PolarHBondContact O-N 2.74Å; I170-F202 HydrophobicContact CD1-CB 4.07Å; I170-F202 HydrophobicContact CD1-CD2 4.49Å; I170-P203 HydrophobicContact CG2-CB 4.23Å; I170-P203 HydrophobicContact CG2-CG 4.41Å; I170-F276 HydrophobicContact CD1-CE2 3.79Å; I170-F276 HydrophobicContact CD1-CZ 3.75Å; I170-L284 HydrophobicContact CD1-CD1 4.44Å; I170-L284 HydrophobicContact CG2-CD2 4.36Å |
| 171 | K | 98.1 | Very high | 98.5 | Very high | 157 Ų | 157 | 49.4 Ų | 49.4 | 68% | 0.683 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -76.3 | -47.1 | 177.7 | -60.6 | 172.6 | -171.9 | 169.8 | 0 | 111.9 | E168 N169 | E168-K171 PolarHBondContact O-N 3.25Å; N169-K171 PolarHBondContact O-N 2.86Å |
| 172 | T | 98.2 | Very high | 98.4 | Very high | 48 Ų | 48 | 49.8 Ų | 49.8 | 29% | 0.294 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -87.1 | -25 | -169 | 60.2 | 0 | 0 | 0 | 0 | 114.2 | E168 N169 K174 | E168-T172 HydrophobicContact CG-CG2 4.22Å; E168-T172 WeakPolarHBondContact O-CG2 3.5Å; E168-T172 PolarHBondContact O-N 3.38Å; E168-T172 PolarHBondContact O-OG1 3.04Å; E168-T172 WeakPolarHBondContact OE1-CG2 3.41Å; N169-T172 WeakPolarHBondContact CA-OG1 3.27Å; N169-T172 PolarHBondContact O-N 3.3Å; T172-K174 PolarHBondContact O-N 2.91Å; T172-K174 VanDerWaalsContact O-N 3.14Å |
| 173 | K | 97.9 | Very high | 98.4 | Very high | 175 Ų | 175 | 50.2 Ų | 50.2 | 76% | 0.761 | 25% | 0.248 | S | C | * | . | trans | 53.5 | 29.4 | -178.5 | -53.9 | 179 | -177.4 | 178.9 | 0 | 113.6 | N169 | N169-K173 WeakPolarHBondContact O-CA 3.36Å; N169-K173 PolarHBondContact O-N 3.1Å | ||
| 174 | K | 97.9 | Very high | 98.4 | Very high | 159 Ų | 159 | 49.7 Ų | 49.7 | 69% | 0.691 | 25% | 0.248 | S | C | * | . | trans | -77.6 | -24.6 | -176 | -75.4 | 175.4 | -179.9 | 176.4 | 0 | 113.1 | N169 T172 | N169-K174 PolarHBondContact OD1-N 3.44Å; T172-K174 PolarHBondContact O-N 2.91Å; T172-K174 VanDerWaalsContact O-N 3.14Å | ||
| 175 | V | 98.3 | Very high | 98.4 | Very high | 23 Ų | 23 | 47.4 Ų | 47.4 | 14% | 0.139 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -127.4 | 137.8 | -175.1 | -169.9 | 0 | 0 | 0 | 0 | 109.5 | N169 P240 W242 | N169-V175 PolarHBondContact ND2-O 3.49Å; N169-V175 WeakPolarHBondContact OD1-CB 3.26Å; N169-V175 PolarHBondContact OD1-N 3.35Å; N169-V175 PolarHBondContact OD1-O 2.91Å; V175-P240 HydrophobicContact CB-CB 4.22Å; V175-P240 VanDerWaalsContact CG1-C 3.49Å; V175-P240 HydrophobicContact CG1-CB 3.79Å; V175-P240 WeakPolarHBondContact CG1-O 3.46Å; V175-P240 HydrophobicContact CG2-CB 3.92Å; V175-W242 HydrophobicContact CB-CD2 4.24Å; V175-W242 HydrophobicContact CB-CZ2 4.21Å; V175-W242 HydrophobicContact CG1-CB 4.46Å; V175-W242 HydrophobicContact CG1-CD2 3.68Å; V175-W242 HydrophobicContact CG1-CE3 4.38Å; V175-W242 HydrophobicContact CG1-CG 3.72Å; V175-W242 HydrophobicContact CG1-CZ2 4.24Å; V175-W242 HydrophobicContact CG2-CH2 4.21Å; V175-W242 HydrophobicContact CG2-CZ2 3.72Å |
| 176 | Q | 98.6 | Very high | 98.4 | Very high | 33 Ų | 33 | 45.4 Ų | 45.4 | 15% | 0.154 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 139.2 | 171 | -62.8 | 165.1 | 108.3 | 0 | 0 | 109.4 | I206 D236 P240 L241 W242 | Q176-I206 HydrophobicContact CB-CD1 4.37Å; Q176-D236 PolarHBondContact NE2-O 3.04Å; Q176-P240 PolarHBondContact N-O 2.95Å; Q176-L241 HydrophobicContact CB-CD1 3.96Å; Q176-L241 CarbonylContact O-C 3.46Å; Q176-L241 WeakPolarHBondContact O-CA 3.3Å; Q176-W242 PolarHBondContact O-N 3.04Å |
| 177 | V | 98.8 | Very high | 98.3 | Very high | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.024 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 118.2 | 175.9 | -167.8 | 0 | 0 | 0 | 0 | 109.2 | N169 F202 A205 I206 W242 | N169-V177 WeakPolarHBondContact ND2-CG2 3.26Å; V177-F202 HydrophobicContact CB-CE2 3.93Å; V177-F202 HydrophobicContact CB-CZ 4.21Å; V177-F202 HydrophobicContact CG1-CE2 3.8Å; V177-F202 HydrophobicContact CG1-CZ 3.56Å; V177-F202 HydrophobicContact CG2-CE2 4.36Å; V177-A205 CarbonylContact O-C 3.48Å; V177-A205 WeakPolarHBondContact O-CA 3.38Å; V177-I206 PolarHBondContact O-N 3.29Å; V177-W242 WeakPolarHBondContact CA-O 3.46Å; V177-W242 HydrophobicContact CG1-CB 4.34Å; V177-W242 HydrophobicContact CG2-CB 4.39Å; V177-W242 HydrophobicContact CG2-CE3 4.03Å |
| 178 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 125.3 | 178.3 | 171.4 | 0 | 0 | 0 | 0 | 109.9 | I206 I208 V235 L241 W242 A243 S244 V254 | V178-I206 CarbonylContact C-O 3.54Å; V178-I206 VanDerWaalsContact CA-O 3.3Å; V178-I206 WeakPolarHBondContact CA-O 3.24Å; V178-I206 HydrophobicContact CG2-CB 4.32Å; V178-I208 HydrophobicContact CG1-CB 3.64Å; V178-I208 HydrophobicContact CG1-CD1 3.89Å; V178-I208 HydrophobicContact CG1-CG1 3.75Å; V178-I208 HydrophobicContact CG2-CD1 4.15Å; V178-V235 HydrophobicContact CG2-CG1 4.4Å; V178-V235 HydrophobicContact CG2-CG2 3.59Å; V178-L241 HydrophobicContact CB-CD1 4.33Å; V178-L241 HydrophobicContact CG2-CD1 3.63Å; V178-W242 PolarHBondContact N-O 2.99Å; V178-A243 CarbonylContact O-C 3.57Å; V178-A243 WeakPolarHBondContact O-CA 3.37Å; V178-S244 PolarHBondContact O-N 3.03Å; V178-V254 HydrophobicContact CB-CG1 4.06Å; V178-V254 HydrophobicContact CG1-CB 4.44Å; V178-V254 HydrophobicContact CG1-CG1 3.84Å; V178-V254 HydrophobicContact CG1-CG2 3.77Å |
| 179 | D | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 127 | 171.5 | -164.4 | -52.2 | 0 | 0 | 0 | 110.3 | R181 F186 I206 I208 S244 | D179-R181 VanDerWaalsContact OD1-CB 3.26Å; D179-R181 WeakPolarHBondContact OD1-CB 3.32Å; D179-R181 VanDerWaalsContact OD1-CG 3.26Å; D179-R181 WeakPolarHBondContact OD1-CG 3.29Å; D179-R181 IonicContact OD1-CZ 3.76Å; D179-R181 PolarHBondContact OD1-N 3.46Å; D179-R181 IonicContact OD1-NE 2.67Å; D179-R181 PolarHBondContact OD1-NE 3.48Å; D179-R181 IonicContact OD1-NH2 3.44Å; D179-R181 IonicContact OD2-CZ 2.65Å; D179-R181 VanDerWaalsContact OD2-CZ 3.3Å; D179-R181 IonicContact OD2-NE 2.72Å; D179-R181 PolarHBondContact OD2-NE 3.4Å; D179-R181 IonicContact OD2-NH2 2.88Å; D179-R181 PolarHBondContact OD2-NH2 2.95Å; D179-F186 HydrophobicContact CB-CD2 3.65Å; D179-F186 HydrophobicContact CB-CE2 3.77Å; D179-I206 PolarHBondContact N-O 3.19Å; D179-I208 PolarHBondContact O-N 2.89Å; D179-S244 CarbonylContact C-O 3.16Å; D179-S244 VanDerWaalsContact CA-O 3.27Å; D179-S244 WeakPolarHBondContact CA-O 3.31Å |
| 180 | S | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -101.3 | 13.6 | -175.5 | 79.3 | 0 | 0 | 0 | 0 | 115.7 | I208 F210 S244 C245 T250 A251 | S180-I208 WeakPolarHBondContact CA-O 3.31Å; S180-F210 PolarHBondContact O-N 3.44Å; S180-F210 VanDerWaalsContact O-N 3.11Å; S180-S244 PolarHBondContact N-O 3.24Å; S180-C245 VanDerWaalsContact OG-CB 3.32Å; S180-C245 WeakPolarHBondContact OG-CB 3.38Å; S180-T250 PolarHBondContact OG-O 3.3Å; S180-T250 PolarHBondContact OG-OG1 2.96Å; S180-T250 VanDerWaalsContact OG-OG1 3.06Å; S180-A251 WeakPolarHBondContact OG-CA 3.48Å; S180-A251 PolarHBondContact OG-N 3.42Å | ||
| 181 | R | 98.6 | Very high | 97.9 | Very high | 3 Ų | 3 | 55.2 Ų | 55.2 | 1% | 0.011 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -68.6 | 169.7 | 171.8 | -69.9 | 177.9 | -69.7 | 151.6 | -2.7 | 111.4 | D179 R185 E192 G200 P209 C245 S246 W273 | D179-R181 VanDerWaalsContact OD1-CB 3.26Å; D179-R181 WeakPolarHBondContact OD1-CB 3.32Å; D179-R181 VanDerWaalsContact OD1-CG 3.26Å; D179-R181 WeakPolarHBondContact OD1-CG 3.29Å; D179-R181 IonicContact OD1-CZ 3.76Å; D179-R181 PolarHBondContact OD1-N 3.46Å; D179-R181 IonicContact OD1-NE 2.67Å; D179-R181 PolarHBondContact OD1-NE 3.48Å; D179-R181 IonicContact OD1-NH2 3.44Å; D179-R181 IonicContact OD2-CZ 2.65Å; D179-R181 VanDerWaalsContact OD2-CZ 3.3Å; D179-R181 IonicContact OD2-NE 2.72Å; D179-R181 PolarHBondContact OD2-NE 3.4Å; D179-R181 IonicContact OD2-NH2 2.88Å; D179-R181 PolarHBondContact OD2-NH2 2.95Å; R181-R185 HydrophobicContact CB-CB 4.26Å; R181-E192 IonicContact CZ-OE1 3.26Å; R181-E192 IonicContact NH1-OE1 2.63Å; R181-E192 PolarHBondContact NH1-OE1 2.84Å; R181-G200 VanDerWaalsContact CZ-O 3.24Å; R181-G200 PolarHBondContact NH1-O 2.95Å; R181-G200 PolarHBondContact NH2-O 3.01Å; R181-P209 WeakPolarHBondContact O-CA 3.26Å; R181-P209 WeakPolarHBondContact O-CB 3.31Å; R181-C245 HydrophobicContact CG-CB 4.19Å; R181-S246 WeakPolarHBondContact CD-OG 3.44Å; R181-S246 WeakPolarHBondContact CG-OG 3.34Å; R181-W273 VanDerWaalsContact CZ-CG 3.46Å; R181-W273 VanDerWaalsContact NH1-CG 3.27Å |
| 182 | S | 98.2 | Very high | 97.7 | Very high | 41 Ų | 41 | 48.5 Ų | 48.5 | 29% | 0.287 | 25% | 0.25 | S | S | . | . | trans | -58.2 | 149.9 | 172.1 | 67.7 | 0 | 0 | 0 | 0 | 110.3 | G184 R185 F186 E190 | S182-G184 PolarHBondContact O-N 3.31Å; S182-R185 PolarHBondContact O-N 3.01Å; S182-R185 VanDerWaalsContact O-N 3.16Å; S182-R185 WeakPolarHBondContact OG-CB 3.26Å; S182-R185 WeakPolarHBondContact OG-CD 3.45Å; S182-R185 VanDerWaalsContact OG-CG 3.3Å; S182-R185 WeakPolarHBondContact OG-CG 3.34Å; S182-R185 PolarHBondContact OG-N 2.79Å; S182-F186 WeakPolarHBondContact O-CB 3.47Å; S182-F186 PolarHBondContact O-N 2.78Å; S182-E190 PolarHBondContact OG-OE2 3.27Å | ||
| 183 | A | 97.9 | Very high | 97.2 | Very high | 48 Ų | 48 | 50.7 Ų | 50.7 | 40% | 0.397 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -57 | -38 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F186 R187 P209 | A183-F186 PolarHBondContact O-N 3.46Å; A183-R187 VanDerWaalsContact O-CB 3.32Å; A183-R187 WeakPolarHBondContact O-CB 3.36Å; A183-R187 VanDerWaalsContact O-CG 3.24Å; A183-R187 WeakPolarHBondContact O-CG 3.45Å; A183-R187 PolarHBondContact O-N 2.8Å; A183-P209 HydrophobicContact CB-CG 4.34Å |
| 184 | G | 97.9 | Very high | 96.7 | Very high | 7 Ų | 7 | 44.9 Ų | 44.9 | 7% | 0.072 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.9 | -41.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | S182 R187 G188 T189 E190 | S182-G184 PolarHBondContact O-N 3.31Å; G184-R187 PolarHBondContact O-N 3.03Å; G184-G188 CarbonylContact O-C 3.53Å; G184-G188 PolarHBondContact O-N 2.91Å; G184-T189 VanDerWaalsContact CA-OG1 3.29Å; G184-T189 WeakPolarHBondContact CA-OG1 3.38Å; G184-T189 PolarHBondContact O-N 3.4Å; G184-T189 PolarHBondContact O-OG1 3.01Å; G184-E190 PolarHBondContact O-N 3.09Å |
| 185 | R | 98 | Very high | 96.1 | Very high | 51 Ų | 51 | 46.9 Ų | 46.9 | 19% | 0.192 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.1 | -39.9 | 175.2 | -76.9 | 174.1 | 63 | -170 | 11.3 | 112.6 | R181 S182 G188 E190 P191 E192 P199 G200 S246 | R181-R185 HydrophobicContact CB-CB 4.26Å; S182-R185 PolarHBondContact O-N 3.01Å; S182-R185 VanDerWaalsContact O-N 3.16Å; S182-R185 WeakPolarHBondContact OG-CB 3.26Å; S182-R185 WeakPolarHBondContact OG-CD 3.45Å; S182-R185 VanDerWaalsContact OG-CG 3.3Å; S182-R185 WeakPolarHBondContact OG-CG 3.34Å; S182-R185 PolarHBondContact OG-N 2.79Å; R185-G188 PolarHBondContact O-N 2.94Å; R185-E190 HydrophobicContact CG-CB 4.05Å; R185-P191 WeakPolarHBondContact CG-O 3.47Å; R185-E192 WeakPolarHBondContact CB-OE1 3.47Å; R185-E192 IonicContact CZ-OE1 3.49Å; R185-E192 IonicContact CZ-OE2 3.85Å; R185-E192 IonicContact NE-OE1 2.9Å; R185-E192 PolarHBondContact NE-OE1 2.86Å; R185-E192 IonicContact NE-OE2 2.84Å; R185-E192 VanDerWaalsContact NH2-CD 3.32Å; R185-E192 IonicContact NH2-OE1 3.82Å; R185-E192 PolarHBondContact NH2-OE1 2.97Å; R185-E192 IonicContact NH2-OE2 3.77Å; R185-E192 PolarHBondContact NH2-OE2 3.28Å; R185-P199 WeakPolarHBondContact O-CB 3.49Å; R185-G200 PolarHBondContact O-N 3.26Å; R185-S246 PolarHBondContact NH2-OG 3.25Å |
| 186 | F | 98.6 | Very high | 95.7 | Very high | 18 Ų | 18 | 50.3 Ų | 50.3 | 8% | 0.079 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.2 | -46.2 | 173.7 | 179.2 | -88.5 | 0 | 0 | 0 | 111.7 | D179 S182 A183 G188 G200 H201 A205 | D179-F186 HydrophobicContact CB-CD2 3.65Å; D179-F186 HydrophobicContact CB-CE2 3.77Å; S182-F186 WeakPolarHBondContact O-CB 3.47Å; S182-F186 PolarHBondContact O-N 2.78Å; A183-F186 PolarHBondContact O-N 3.46Å; F186-G188 VanDerWaalsContact C-N 3.29Å; F186-G188 PolarHBondContact O-N 2.95Å; F186-G200 CarbonylContact O-C 3.29Å; F186-G200 VanDerWaalsContact O-CA 3.3Å; F186-G200 WeakPolarHBondContact O-CA 3.48Å; F186-H201 AromaticContact CD1-ND1 3.83Å; F186-H201 HydrophobicContact CD2-CB 3.66Å; F186-H201 HydrophobicContact CE1-CB 4.36Å; F186-H201 AromaticContact CE1-CD2 3.89Å; F186-H201 AromaticContact CE1-CE1 3.67Å; F186-H201 AromaticContact CE1-CG 3.71Å; F186-H201 AromaticContact CE1-ND1 3.56Å; F186-H201 AromaticContact CE1-NE2 3.89Å; F186-H201 HydrophobicContact CE2-CB 3.42Å; F186-H201 VanDerWaalsContact CE2-CB 3.42Å; F186-H201 AromaticContact CE2-CD2 3.95Å; F186-H201 AromaticContact CE2-CG 3.61Å; F186-H201 HydrophobicContact CG-CB 4.24Å; F186-H201 HydrophobicContact CZ-CB 3.81Å; F186-H201 AromaticContact CZ-CD2 3.41Å; F186-H201 VanDerWaalsContact CZ-CD2 3.41Å; F186-H201 WeakPolarHBondContact CZ-CD2 3.1Å; F186-H201 AromaticContact CZ-CG 3.39Å; F186-H201 AromaticContact CZ-ND1 3.78Å; F186-H201 AromaticContact CZ-NE2 3.84Å; F186-H201 PolarHBondContact O-ND1 3.47Å; F186-A205 HydrophobicContact CE2-CB 3.75Å; F186-A205 HydrophobicContact CZ-CB 4.11Å; F186-A205 WeakPolarHBondContact CZ-O 3.21Å |
| 187 | R | 97.9 | Very high | 95.5 | Very high | 111 Ų | 111 | 49 Ų | 49 | 42% | 0.419 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -73.3 | -18.4 | 179.3 | -71.6 | 175.4 | 63.1 | -151.4 | -1.6 | 113.4 | A183 G184 T189 E288 | A183-R187 VanDerWaalsContact O-CB 3.32Å; A183-R187 WeakPolarHBondContact O-CB 3.36Å; A183-R187 VanDerWaalsContact O-CG 3.24Å; A183-R187 WeakPolarHBondContact O-CG 3.45Å; A183-R187 PolarHBondContact O-N 2.8Å; G184-R187 PolarHBondContact O-N 3.03Å; R187-T189 HydrophobicContact CB-CG2 4.23Å; R187-E288 HydrophobicContact CB-CG 4.46Å; R187-E288 VanDerWaalsContact CG-OE1 3.31Å; R187-E288 WeakPolarHBondContact CG-OE1 3.24Å; R187-E288 IonicContact CZ-OE1 2.74Å; R187-E288 IonicContact CZ-OE2 3.9Å; R187-E288 IonicContact NE-OE1 2.64Å; R187-E288 PolarHBondContact NE-OE1 2.97Å; R187-E288 IonicContact NE-OE2 3.31Å; R187-E288 PolarHBondContact NE-OE2 3.4Å; R187-E288 IonicContact NH2-OE1 2.84Å; R187-E288 IonicContact NH2-OE2 3.23Å; R187-E288 PolarHBondContact NH2-OE2 3.27Å; R187-E288 WeakPolarHBondContact O-CB 2.98Å; R187-E288 PolarHBondContact O-N 3.42Å |
| 188 | G | 97 | Very high | 95.4 | Very high | 8 Ų | 8 | 52.9 Ų | 52.9 | 8% | 0.082 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | 11.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | G184 R185 F186 S287 G289 | G184-G188 CarbonylContact O-C 3.53Å; G184-G188 PolarHBondContact O-N 2.91Å; R185-G188 PolarHBondContact O-N 2.94Å; F186-G188 VanDerWaalsContact C-N 3.29Å; F186-G188 PolarHBondContact O-N 2.95Å; G188-S287 WeakPolarHBondContact CA-OG 3.45Å; G188-G289 WeakPolarHBondContact O-CA 3.39Å |
| 189 | T | 96.9 | Very high | 95.3 | Very high | 75 Ų | 75 | 53.7 Ų | 53.7 | 46% | 0.46 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -97.1 | -10 | -178 | 63.5 | 0 | 0 | 0 | 0 | 113.3 | G184 R187 E288 | G184-T189 VanDerWaalsContact CA-OG1 3.29Å; G184-T189 WeakPolarHBondContact CA-OG1 3.38Å; G184-T189 PolarHBondContact O-N 3.4Å; G184-T189 PolarHBondContact O-OG1 3.01Å; R187-T189 HydrophobicContact CB-CG2 4.23Å; T189-E288 HydrophobicContact CG2-CB 4.39Å |
| 190 | E | 95.9 | Very high | 95.3 | Very high | 92 Ų | 92 | 53.7 Ų | 53.7 | 43% | 0.43 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -124.6 | 142.1 | 173 | -69.7 | 171.3 | 177.6 | 0 | 0 | 109.5 | S182 G184 R185 P199 | S182-E190 PolarHBondContact OG-OE2 3.27Å; G184-E190 PolarHBondContact O-N 3.09Å; R185-E190 HydrophobicContact CG-CB 4.05Å; E190-P199 WeakPolarHBondContact O-CB 3.46Å; E190-P199 WeakPolarHBondContact O-CG 3.35Å |
| 191 | P | 95 | Very high | 95.3 | Very high | 107 Ų | 107 | 55 Ų | 55 | 70% | 0.695 | 30% | 0.303 | S | S | * | . | trans | -66.4 | 153.4 | 179.7 | 29.3 | -35.3 | 0 | 0 | 0 | 112.3 | R185 | R185-P191 WeakPolarHBondContact CG-O 3.47Š| ||
| 192 | E | 94.5 | Very high | 95.3 | Very high | 15 Ų | 15 | 54.9 Ų | 54.9 | 7% | 0.07 | 30% | 0.303 | C | S | . | . | trans | -73.2 | 157.1 | 167.3 | -70 | -75.5 | 124.8 | 0 | 0 | 110.9 | R181 R185 K194 V197 P199 | R181-E192 IonicContact CZ-OE1 3.26Å; R181-E192 IonicContact NH1-OE1 2.63Å; R181-E192 PolarHBondContact NH1-OE1 2.84Å; R185-E192 WeakPolarHBondContact CB-OE1 3.47Å; R185-E192 IonicContact CZ-OE1 3.49Å; R185-E192 IonicContact CZ-OE2 3.85Å; R185-E192 IonicContact NE-OE1 2.9Å; R185-E192 PolarHBondContact NE-OE1 2.86Å; R185-E192 IonicContact NE-OE2 2.84Å; R185-E192 VanDerWaalsContact NH2-CD 3.32Å; R185-E192 IonicContact NH2-OE1 3.82Å; R185-E192 PolarHBondContact NH2-OE1 2.97Å; R185-E192 IonicContact NH2-OE2 3.77Å; R185-E192 PolarHBondContact NH2-OE2 3.28Å; E192-K194 PolarHBondContact O-N 2.78Å; E192-V197 HydrophobicContact CB-CB 4.33Å; E192-V197 HydrophobicContact CB-CG1 4.45Å; E192-V197 WeakPolarHBondContact CB-O 3.23Å; E192-V197 HydrophobicContact CG-CB 4.45Å; E192-V197 HydrophobicContact CG-CG1 4.05Å; E192-P199 HydrophobicContact CG-CB 4.11Å | ||
| 193 | A | 87.1 | Confident | 95.3 | Very high | 94 Ų | 94 | 55 Ų | 55 | 78% | 0.777 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -65.4 | -28.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 194 | K | 86.6 | Confident | 95.2 | Very high | 54 Ų | 54 | 56 Ų | 56 | 24% | 0.235 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -90.9 | 121.6 | 174 | -75 | -170 | 176.2 | -175.7 | 0 | 109.6 | D70 E192 D196 V197 T274 | D70-K194 WeakPolarHBondContact OD2-CE 3.24Å; D70-K194 IonicContact OD2-NZ 2.71Å; D70-K194 PolarHBondContact OD2-NZ 3.14Å; E192-K194 PolarHBondContact O-N 2.78Å; K194-D196 WeakPolarHBondContact CB-OD1 3.22Å; K194-D196 PolarHBondContact O-N 2.62Å; K194-V197 HydrophobicContact CB-CB 4.25Å; K194-V197 HydrophobicContact CB-CG2 3.94Å; K194-V197 HydrophobicContact CD-CG2 4.37Å; K194-V197 PolarHBondContact O-N 3.19Å; K194-V197 VanDerWaalsContact O-N 3.14Å; K194-T274 HydrophobicContact CD-CG2 4.2Å |
| 195 | Q | 86.2 | Confident | 95.3 | Very high | 201 Ų | 201 | 56.3 Ų | 56.3 | 94% | 0.939 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -24.8 | -177.1 | -66.5 | -177.4 | -10.2 | 0 | 0 | 113.5 | V197 | Q195-V197 VanDerWaalsContact C-N 3.29Š|
| 196 | D | 90.6 | Very high | 95.3 | Very high | 95 Ų | 95 | 55.7 Ų | 55.7 | 51% | 0.508 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 8.8 | 178.6 | 69.6 | -40.2 | 0 | 0 | 0 | 113.6 | K194 K278 | K194-D196 WeakPolarHBondContact CB-OD1 3.22Å; K194-D196 PolarHBondContact O-N 2.62Å; D196-K278 WeakPolarHBondContact OD2-CE 3.15Å; D196-K278 IonicContact OD2-NZ 3.75Å; D196-K278 PolarHBondContact OD2-NZ 2.58Å |
| 197 | V | 94.1 | Very high | 95.3 | Very high | 5 Ų | 5 | 56.6 Ų | 56.6 | 3% | 0.03 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -125.7 | 124 | 178.7 | -176.5 | 0 | 0 | 0 | 0 | 108.7 | E192 K194 Q195 T274 F277 | E192-V197 HydrophobicContact CB-CB 4.33Å; E192-V197 HydrophobicContact CB-CG1 4.45Å; E192-V197 WeakPolarHBondContact CB-O 3.23Å; E192-V197 HydrophobicContact CG-CB 4.45Å; E192-V197 HydrophobicContact CG-CG1 4.05Å; K194-V197 HydrophobicContact CB-CB 4.25Å; K194-V197 HydrophobicContact CB-CG2 3.94Å; K194-V197 HydrophobicContact CD-CG2 4.37Å; K194-V197 PolarHBondContact O-N 3.19Å; K194-V197 VanDerWaalsContact O-N 3.14Å; Q195-V197 VanDerWaalsContact C-N 3.29Å; V197-T274 HydrophobicContact CG2-CG2 4.16Å; V197-F277 HydrophobicContact CB-CD1 4.14Å; V197-F277 HydrophobicContact CG1-CB 3.94Å; V197-F277 HydrophobicContact CG1-CD1 3.75Å; V197-F277 HydrophobicContact CG1-CE1 4.49Å; V197-F277 HydrophobicContact CG1-CG 3.85Å; V197-F277 HydrophobicContact CG2-CD1 4.35Å |
| 198 | L | 96.2 | Very high | 95.4 | Very high | 85 Ų | 85 | 51.4 Ų | 51.4 | 45% | 0.445 | 31% | 0.309 | S | S | . | . | trans | -83.7 | 150.3 | 174.3 | -63 | 175.3 | 0 | 0 | 0 | 110.7 | W273 F277 V292 | L198-W273 PolarHBondContact O-NE1 3.26Å; L198-F277 HydrophobicContact CB-CD2 4.49Å; L198-F277 HydrophobicContact CB-CE2 3.61Å; L198-F277 HydrophobicContact CB-CZ 3.64Å; L198-F277 HydrophobicContact CD1-CE2 4.35Å; L198-F277 HydrophobicContact CD1-CZ 4.03Å; L198-F277 HydrophobicContact CG-CE2 4.18Å; L198-F277 HydrophobicContact CG-CZ 3.74Å; L198-V292 HydrophobicContact CD1-CG2 4.3Å | ||
| 199 | P | 97.3 | Very high | 95.4 | Very high | 18 Ų | 18 | 52.3 Ų | 52.3 | 12% | 0.117 | 31% | 0.313 | C | S | . | . | trans | -75.7 | 167.9 | 177.5 | 37.2 | -40.1 | 0 | 0 | 0 | 111.5 | R185 E190 E192 | R185-P199 WeakPolarHBondContact O-CB 3.49Å; E190-P199 WeakPolarHBondContact O-CB 3.46Å; E190-P199 WeakPolarHBondContact O-CG 3.35Å; E192-P199 HydrophobicContact CG-CB 4.11Å | ||
| 200 | G | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 30% | 0.296 | C | S | . | . | trans | 131.5 | -170.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | R181 R185 F186 W273 V286 | R181-G200 VanDerWaalsContact CZ-O 3.24Å; R181-G200 PolarHBondContact NH1-O 2.95Å; R181-G200 PolarHBondContact NH2-O 3.01Å; R185-G200 PolarHBondContact O-N 3.26Å; F186-G200 CarbonylContact O-C 3.29Å; F186-G200 VanDerWaalsContact O-CA 3.3Å; F186-G200 WeakPolarHBondContact O-CA 3.48Å; G200-W273 VanDerWaalsContact C-CZ2 3.41Å; G200-W273 WeakPolarHBondContact O-CZ2 3.42Å; G200-V286 CarbonylContact C-O 3.44Å; G200-V286 WeakPolarHBondContact CA-O 3.3Å | ||
| 201 | H | 98.5 | Very high | 95.6 | Very high | 26 Ų | 26 | 48.3 Ų | 48.3 | 12% | 0.12 | 29% | 0.293 | C | S | . | . | B | Isolated β-bridge | trans | -147.4 | 169 | 179 | 61.5 | -78.5 | 0 | 0 | 0 | 111.2 | F186 A205 W273 V286 | F186-H201 AromaticContact CD1-ND1 3.83Å; F186-H201 HydrophobicContact CD2-CB 3.66Å; F186-H201 HydrophobicContact CE1-CB 4.36Å; F186-H201 AromaticContact CE1-CD2 3.89Å; F186-H201 AromaticContact CE1-CE1 3.67Å; F186-H201 AromaticContact CE1-CG 3.71Å; F186-H201 AromaticContact CE1-ND1 3.56Å; F186-H201 AromaticContact CE1-NE2 3.89Å; F186-H201 HydrophobicContact CE2-CB 3.42Å; F186-H201 VanDerWaalsContact CE2-CB 3.42Å; F186-H201 AromaticContact CE2-CD2 3.95Å; F186-H201 AromaticContact CE2-CG 3.61Å; F186-H201 HydrophobicContact CG-CB 4.24Å; F186-H201 HydrophobicContact CZ-CB 3.81Å; F186-H201 AromaticContact CZ-CD2 3.41Å; F186-H201 VanDerWaalsContact CZ-CD2 3.41Å; F186-H201 WeakPolarHBondContact CZ-CD2 3.1Å; F186-H201 AromaticContact CZ-CG 3.39Å; F186-H201 AromaticContact CZ-ND1 3.78Å; F186-H201 AromaticContact CZ-NE2 3.84Å; F186-H201 PolarHBondContact O-ND1 3.47Å; H201-A205 HydrophobicContact CB-CB 4.37Å; H201-W273 VanDerWaalsContact CA-CH2 3.5Å; H201-V286 VanDerWaalsContact CE1-CG1 3.48Å; H201-V286 WeakPolarHBondContact CE1-CG1 3.33Å; H201-V286 PolarHBondContact N-O 3.26Å; H201-V286 PolarHBondContact ND1-O 3.01Å; H201-V286 WeakPolarHBondContact O-CB 3.21Å; H201-V286 PolarHBondContact O-N 2.86Å |
| 202 | F | 98.3 | Very high | 95.8 | Very high | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.009 | 27% | 0.274 | C | S | . | . | trans | -88.9 | 151.1 | 173.4 | 51.1 | -99.4 | 0 | 0 | 0 | 111.2 | V166 I170 V177 G204 A205 Y269 W273 F276 | V166-F202 HydrophobicContact CG1-CD1 4.46Å; V166-F202 HydrophobicContact CG1-CD2 4.1Å; V166-F202 HydrophobicContact CG1-CE1 4.48Å; V166-F202 HydrophobicContact CG1-CE2 4.11Å; V166-F202 HydrophobicContact CG1-CG 4.29Å; V166-F202 HydrophobicContact CG1-CZ 4.32Å; I170-F202 HydrophobicContact CD1-CB 4.07Å; I170-F202 HydrophobicContact CD1-CD2 4.49Å; V177-F202 HydrophobicContact CB-CE2 3.93Å; V177-F202 HydrophobicContact CB-CZ 4.21Å; V177-F202 HydrophobicContact CG1-CE2 3.8Å; V177-F202 HydrophobicContact CG1-CZ 3.56Å; V177-F202 HydrophobicContact CG2-CE2 4.36Å; F202-G204 PolarHBondContact O-N 2.87Å; F202-A205 HydrophobicContact CD2-CB 3.88Å; F202-A205 HydrophobicContact CE2-CB 3.63Å; F202-A205 HydrophobicContact CZ-CB 4.08Å; F202-A205 WeakPolarHBondContact O-CB 3.48Å; F202-A205 PolarHBondContact O-N 2.8Å; F202-Y269 HydrophobicContact CE1-CD1 4.48Å; F202-W273 HydrophobicContact CB-CZ3 4.42Å; F202-W273 HydrophobicContact CD1-CE3 4.21Å; F202-W273 HydrophobicContact CD1-CZ3 4.25Å; F202-F276 HydrophobicContact CB-CD1 4.01Å; F202-F276 HydrophobicContact CB-CD2 4.37Å; F202-F276 HydrophobicContact CB-CE1 3.46Å; F202-F276 VanDerWaalsContact CB-CE1 3.46Å; F202-F276 HydrophobicContact CB-CE2 3.86Å; F202-F276 HydrophobicContact CB-CG 4.43Å; F202-F276 HydrophobicContact CB-CZ 3.37Å; F202-F276 HydrophobicContact CD1-CD1 4.28Å; F202-F276 HydrophobicContact CD1-CD2 4.14Å; F202-F276 HydrophobicContact CD1-CE2 4.39Å; F202-F276 HydrophobicContact CD1-CG 4.08Å; F202-F276 HydrophobicContact CG-CD2 4.46Å; F202-F276 HydrophobicContact CG-CE1 4.43Å; F202-F276 HydrophobicContact CG-CE2 4.25Å; F202-F276 HydrophobicContact CG-CZ 4.24Å | ||
| 203 | P | 98.4 | Very high | 96 | Very high | 42 Ų | 42 | 44.5 Ų | 44.5 | 27% | 0.273 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | 133.6 | -175.9 | -27.7 | 32.3 | 0 | 0 | 0 | 113.5 | I170 A205 L284 V286 | I170-P203 HydrophobicContact CG2-CB 4.23Å; I170-P203 HydrophobicContact CG2-CG 4.41Å; P203-A205 VanDerWaalsContact C-N 3.3Å; P203-A205 PolarHBondContact O-N 2.59Å; P203-L284 WeakPolarHBondContact CD-O 3.33Å; P203-L284 HydrophobicContact CG-CD2 4.35Å; P203-V286 HydrophobicContact CG-CG2 3.9Å |
| 204 | G | 97.3 | Very high | 96.5 | Very high | 70 Ų | 70 | 40.6 Ų | 40.6 | 72% | 0.722 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.2 | -0.2 | 177 | 0 | 0 | 0 | 0 | 0 | 115.4 | F202 | F202-G204 PolarHBondContact O-N 2.87Š|
| 205 | A | 98.4 | Very high | 97.1 | Very high | 14 Ų | 14 | 40.8 Ų | 40.8 | 12% | 0.116 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 147.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | V177 F186 H201 F202 P203 | V177-A205 CarbonylContact O-C 3.48Å; V177-A205 WeakPolarHBondContact O-CA 3.38Å; F186-A205 HydrophobicContact CE2-CB 3.75Å; F186-A205 HydrophobicContact CZ-CB 4.11Å; F186-A205 WeakPolarHBondContact CZ-O 3.21Å; H201-A205 HydrophobicContact CB-CB 4.37Å; F202-A205 HydrophobicContact CD2-CB 3.88Å; F202-A205 HydrophobicContact CE2-CB 3.63Å; F202-A205 HydrophobicContact CZ-CB 4.08Å; F202-A205 WeakPolarHBondContact O-CB 3.48Å; F202-A205 PolarHBondContact O-N 2.8Å; P203-A205 VanDerWaalsContact C-N 3.3Å; P203-A205 PolarHBondContact O-N 2.59Å |
| 206 | I | 98.8 | Very high | 97.6 | Very high | 38 Ų | 38 | 37.3 Ų | 37.3 | 20% | 0.195 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 135.1 | 178.2 | -59.9 | 168.4 | 0 | 0 | 0 | 108.3 | Q176 V177 V178 D179 A233 V235 | Q176-I206 HydrophobicContact CB-CD1 4.37Å; V177-I206 PolarHBondContact O-N 3.29Å; V178-I206 CarbonylContact C-O 3.54Å; V178-I206 VanDerWaalsContact CA-O 3.3Å; V178-I206 WeakPolarHBondContact CA-O 3.24Å; V178-I206 HydrophobicContact CG2-CB 4.32Å; D179-I206 PolarHBondContact N-O 3.19Å; I206-A233 HydrophobicContact CG2-CB 4.13Å; I206-A233 VanDerWaalsContact CG2-O 3.3Å; I206-A233 WeakPolarHBondContact CG2-O 3.35Å; I206-V235 HydrophobicContact CB-CG2 4.45Å; I206-V235 HydrophobicContact CD1-CG2 3.97Å; I206-V235 HydrophobicContact CG2-CG2 3.85Å |
| 207 | S | 98.8 | Very high | 97.8 | Very high | 36 Ų | 36 | 34.7 Ų | 34.7 | 25% | 0.252 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 120.3 | -178.8 | -173.2 | 0 | 0 | 0 | 0 | 111.6 | ||
| 208 | I | 98.8 | Very high | 97.9 | Very high | 3 Ų | 3 | 34.6 Ų | 34.6 | 2% | 0.015 | 23% | 0.228 | C | C | . | . | trans | -132.8 | 88.4 | 164.3 | -58.4 | -177.5 | 0 | 0 | 0 | 107.5 | V178 D179 S180 F210 L213 V229 F230 A233 V235 | V178-I208 HydrophobicContact CG1-CB 3.64Å; V178-I208 HydrophobicContact CG1-CD1 3.89Å; V178-I208 HydrophobicContact CG1-CG1 3.75Å; V178-I208 HydrophobicContact CG2-CD1 4.15Å; D179-I208 PolarHBondContact O-N 2.89Å; S180-I208 WeakPolarHBondContact CA-O 3.31Å; I208-F210 PolarHBondContact O-N 3.11Å; I208-L213 HydrophobicContact CG2-CD2 4.13Å; I208-L213 HydrophobicContact CG2-CG 4.37Å; I208-V229 HydrophobicContact CG2-CG1 3.72Å; I208-F230 HydrophobicContact CD1-CD1 3.72Å; I208-F230 HydrophobicContact CD1-CE1 3.99Å; I208-F230 HydrophobicContact CD1-CG 4.38Å; I208-A233 HydrophobicContact CD1-CB 3.65Å; I208-A233 HydrophobicContact CG1-CB 3.52Å; I208-V235 HydrophobicContact CD1-CG2 3.87Å | ||
| 209 | P | 98.8 | Very high | 98 | Very high | 26 Ų | 26 | 34 Ų | 34 | 17% | 0.169 | 22% | 0.221 | C | C | . | . | trans | -52.9 | 130.5 | 178.1 | -25.7 | 35 | 0 | 0 | 0 | 110.9 | R181 A183 T211 S212 | R181-P209 WeakPolarHBondContact O-CA 3.26Å; R181-P209 WeakPolarHBondContact O-CB 3.31Å; A183-P209 HydrophobicContact CB-CG 4.34Å; P209-T211 PolarHBondContact O-N 3.38Å; P209-S212 WeakPolarHBondContact O-CB 3.06Å; P209-S212 PolarHBondContact O-N 3.36Å; P209-S212 PolarHBondContact O-OG 3.36Å | ||
| 210 | F | 98.7 | Very high | 98.1 | Very high | 22 Ų | 22 | 33.6 Ų | 33.6 | 10% | 0.096 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -56.2 | -29.2 | -173.2 | 81 | -83 | 0 | 0 | 0 | 113.3 | F102 L105 S180 I208 S212 L213 L214 T250 H253 | F102-F210 HydrophobicContact CB-CE2 4.27Å; F102-F210 HydrophobicContact CD2-CE2 4.38Å; F102-F210 AromaticContact CD2-CZ 3.91Å; F102-F210 HydrophobicContact CD2-CZ 3.91Å; F102-F210 HydrophobicContact CE2-CZ 4.18Å; F102-F210 HydrophobicContact CG-CE2 4.22Å; F102-F210 HydrophobicContact CG-CZ 4.09Å; L105-F210 HydrophobicContact CD1-CE1 4.28Å; L105-F210 HydrophobicContact CD1-CE2 4.06Å; L105-F210 HydrophobicContact CD1-CZ 3.69Å; S180-F210 PolarHBondContact O-N 3.44Å; S180-F210 VanDerWaalsContact O-N 3.11Å; I208-F210 PolarHBondContact O-N 3.11Å; F210-S212 PolarHBondContact O-N 2.64Å; F210-L213 WeakPolarHBondContact O-CB 3.32Å; F210-L213 PolarHBondContact O-N 3.39Å; F210-L214 HydrophobicContact CD2-CD1 4.45Å; F210-L214 HydrophobicContact CE2-CD1 4.44Å; F210-T250 HydrophobicContact CD1-CG2 3.93Å; F210-T250 HydrophobicContact CE1-CG2 4.14Å; F210-T250 HydrophobicContact CG-CG2 4.2Å; F210-H253 HydrophobicContact CB-CB 3.97Å; F210-H253 AromaticContact CD2-CE1 3.72Å; F210-H253 AromaticContact CD2-ND1 3.85Å; F210-H253 AromaticContact CD2-NE2 3.94Å |
| 211 | T | 98.1 | Very high | 98.1 | Very high | 61 Ų | 61 | 35.9 Ų | 35.9 | 37% | 0.374 | 23% | 0.228 | S | C | . | . | G | 310 helix | trans | -63.3 | -23.5 | 177 | 53.4 | 0 | 0 | 0 | 0 | 113.4 | F102 P209 L213 L214 | F102-T211 HydrophobicContact CD1-CG2 3.79Å; F102-T211 HydrophobicContact CE1-CG2 3.71Å; F102-T211 HydrophobicContact CZ-CG2 4.38Å; P209-T211 PolarHBondContact O-N 3.38Å; T211-L213 PolarHBondContact O-N 3.05Å; T211-L214 PolarHBondContact O-N 3.46Å |
| 212 | S | 98.4 | Very high | 98.1 | Very high | 43 Ų | 43 | 37 Ų | 37 | 30% | 0.301 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -77.2 | -4.2 | 175 | 75.3 | 0 | 0 | 0 | 0 | 113.2 | P209 F210 H221 V229 | P209-S212 WeakPolarHBondContact O-CB 3.06Å; P209-S212 PolarHBondContact O-N 3.36Å; P209-S212 PolarHBondContact O-OG 3.36Å; F210-S212 PolarHBondContact O-N 2.64Å; S212-H221 PolarHBondContact O-CD2 2.84Å; S212-V229 WeakPolarHBondContact O-CG2 3.25Å |
| 213 | L | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -93.3 | -6.5 | 174.7 | -56.9 | 168.8 | 0 | 0 | 0 | 111.8 | I208 F210 T211 H221 L226 V229 F230 H253 V254 A257 | I208-L213 HydrophobicContact CG2-CD2 4.13Å; I208-L213 HydrophobicContact CG2-CG 4.37Å; F210-L213 WeakPolarHBondContact O-CB 3.32Å; F210-L213 PolarHBondContact O-N 3.39Å; T211-L213 PolarHBondContact O-N 3.05Å; L213-H221 PolarHBondContact O-N 2.81Å; L213-H221 VanDerWaalsContact O-N 3.11Å; L213-L226 HydrophobicContact CB-CD2 4.09Å; L213-L226 HydrophobicContact CD2-CD2 3.79Å; L213-V229 HydrophobicContact CD2-CG1 3.94Å; L213-F230 HydrophobicContact CD2-CE2 4.48Å; L213-H253 HydrophobicContact CD1-CB 3.79Å; L213-V254 HydrophobicContact CD1-CG2 4.2Å; L213-A257 HydrophobicContact CD1-CB 4.22Å; L213-A257 HydrophobicContact CD2-CB 3.93Å |
| 214 | L | 98.4 | Very high | 98 | Very high | 12 Ų | 12 | 43 Ų | 43 | 6% | 0.063 | 27% | 0.267 | C | S | . | . | B | Isolated β-bridge | trans | -117 | 143.2 | -177 | -52.5 | 178.8 | 0 | 0 | 0 | 109.9 | F102 F210 T211 K219 Y220 H221 | F102-L214 HydrophobicContact CB-CD1 4.45Å; F102-L214 WeakPolarHBondContact O-CD1 3.29Å; F210-L214 HydrophobicContact CD2-CD1 4.45Å; F210-L214 HydrophobicContact CE2-CD1 4.44Å; T211-L214 PolarHBondContact O-N 3.46Å; L214-K219 CarbonylContact C-O 3.45Å; L214-K219 VanDerWaalsContact CA-O 3.23Å; L214-K219 WeakPolarHBondContact CA-O 3.39Å; L214-Y220 HydrophobicContact CD2-CD1 3.73Å; L214-Y220 HydrophobicContact CD2-CD2 3.9Å; L214-Y220 HydrophobicContact CD2-CE1 3.82Å; L214-Y220 HydrophobicContact CD2-CE2 3.95Å; L214-Y220 HydrophobicContact CD2-CG 3.77Å; L214-H221 PolarHBondContact O-NE2 3.23Å |
| 215 | D | 97.8 | Very high | 98.1 | Very high | 57 Ų | 57 | 43.2 Ų | 43.2 | 31% | 0.305 | 25% | 0.25 | S | C | . | . | trans | -75.5 | 175.6 | 169.5 | 72.3 | 22.4 | 0 | 0 | 0 | 112.1 | S217 G218 K219 | D215-S217 PolarHBondContact O-N 3.35Å; D215-S217 VanDerWaalsContact O-N 3.14Å; D215-S217 VanDerWaalsContact OD1-CA 3.25Å; D215-S217 WeakPolarHBondContact OD1-CA 3.49Å; D215-S217 VanDerWaalsContact OD1-CB 3.26Å; D215-S217 WeakPolarHBondContact OD1-CB 3.37Å; D215-S217 PolarHBondContact OD1-N 3.22Å; D215-S217 PolarHBondContact OD1-OG 2.84Å; D215-S217 PolarHBondContact OD2-OG 3.24Å; D215-G218 PolarHBondContact O-N 3.12Å; D215-G218 PolarHBondContact OD1-N 2.83Å; D215-G218 VanDerWaalsContact OD1-N 3.1Å; D215-K219 PolarHBondContact N-O 2.84Å; D215-K219 PolarHBondContact OD1-N 3.29Å | ||
| 216 | S | 96.4 | Very high | 98.1 | Very high | 128 Ų | 128 | 42.6 Ų | 42.6 | 90% | 0.895 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -17.9 | 179.8 | 56.9 | 0 | 0 | 0 | 0 | 114.1 | G218 | S216-G218 VanDerWaalsContact C-N 3.31Š|
| 217 | S | 96.4 | Very high | 98.1 | Very high | 41 Ų | 41 | 42.8 Ų | 42.8 | 29% | 0.287 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -8 | 173.4 | 83.1 | 0 | 0 | 0 | 0 | 112.7 | N131 D215 K219 | N131-S217 PolarHBondContact ND2-O 2.88Å; N131-S217 PolarHBondContact OD1-O 3.22Å; D215-S217 PolarHBondContact O-N 3.35Å; D215-S217 VanDerWaalsContact O-N 3.14Å; D215-S217 VanDerWaalsContact OD1-CA 3.25Å; D215-S217 WeakPolarHBondContact OD1-CA 3.49Å; D215-S217 VanDerWaalsContact OD1-CB 3.26Å; D215-S217 WeakPolarHBondContact OD1-CB 3.37Å; D215-S217 PolarHBondContact OD1-N 3.22Å; D215-S217 PolarHBondContact OD1-OG 2.84Å; D215-S217 PolarHBondContact OD2-OG 3.24Å; S217-K219 WeakPolarHBondContact OG-CG 3.29Å |
| 218 | G | 96.4 | Very high | 98.1 | Very high | 3 Ų | 3 | 45.3 Ų | 45.3 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | S | Bend | trans | 82.4 | 13.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | F102 G127 D215 S216 | F102-G218 WeakPolarHBondContact O-CA 3.26Å; G127-G218 WeakPolarHBondContact CA-O 3.29Å; D215-G218 PolarHBondContact O-N 3.12Å; D215-G218 PolarHBondContact OD1-N 2.83Å; D215-G218 VanDerWaalsContact OD1-N 3.1Å; S216-G218 VanDerWaalsContact C-N 3.31Å |
| 219 | K | 98.3 | Very high | 98.1 | Very high | 71 Ų | 71 | 46.3 Ų | 46.3 | 31% | 0.309 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -90.6 | 153.6 | 172.4 | -67.4 | 177.3 | -173.6 | 176.2 | 0 | 109.6 | D126 N131 L214 D215 S217 | D126-K219 VanDerWaalsContact OD1-CA 3.27Å; D126-K219 WeakPolarHBondContact OD1-CA 3.37Å; D126-K219 WeakPolarHBondContact OD1-CB 3.34Å; N131-K219 VanDerWaalsContact ND2-CE 3.27Å; N131-K219 WeakPolarHBondContact ND2-CE 3.48Å; L214-K219 CarbonylContact C-O 3.45Å; L214-K219 VanDerWaalsContact CA-O 3.23Å; L214-K219 WeakPolarHBondContact CA-O 3.39Å; D215-K219 PolarHBondContact N-O 2.84Å; D215-K219 PolarHBondContact OD1-N 3.29Å; S217-K219 WeakPolarHBondContact OG-CG 3.29Å |
| 220 | Y | 98.3 | Very high | 98.1 | Very high | 10 Ų | 10 | 45.1 Ų | 45.1 | 4% | 0.039 | 26% | 0.256 | C | S | . | . | B | Isolated β-bridge | trans | -65.9 | 142.1 | 173.9 | -75.1 | -93.8 | 0 | 0 | 0 | 111.2 | V8 P108 V124 D126 L214 H253 L256 | V8-Y220 HydrophobicContact CG2-CD2 4.27Å; P108-Y220 WeakPolarHBondContact CG-OH 3.4Å; V124-Y220 HydrophobicContact CG1-CE2 4.43Å; D126-Y220 PolarHBondContact OD1-N 2.6Å; L214-Y220 HydrophobicContact CD2-CD1 3.73Å; L214-Y220 HydrophobicContact CD2-CD2 3.9Å; L214-Y220 HydrophobicContact CD2-CE1 3.82Å; L214-Y220 HydrophobicContact CD2-CE2 3.95Å; L214-Y220 HydrophobicContact CD2-CG 3.77Å; Y220-H253 AromaticContact CE1-ND1 3.98Å; Y220-H253 AromaticContact CZ-ND1 3.75Å; Y220-H253 PolarHBondContact OH-CE1 2.91Å; Y220-H253 PolarHBondContact OH-ND1 2.85Å; Y220-L256 HydrophobicContact CE1-CD2 4.09Å; Y220-L256 HydrophobicContact CE1-CG 4.43Å; Y220-L256 HydrophobicContact CE2-CD2 3.9Å; Y220-L256 WeakPolarHBondContact OH-CD2 3.41Å |
| 221 | H | 98.4 | Very high | 98 | Very high | 48 Ų | 48 | 51 Ų | 51 | 22% | 0.222 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -55.2 | 160.4 | 169.7 | -76.5 | -44.9 | 0 | 0 | 0 | 112.9 | S212 L213 L214 E225 L226 R260 | S212-H221 PolarHBondContact O-CD2 2.84Å; L213-H221 PolarHBondContact O-N 2.81Å; L213-H221 VanDerWaalsContact O-N 3.11Å; L214-H221 PolarHBondContact O-NE2 3.23Å; H221-E225 HydrophobicContact CB-CB 3.82Å; H221-L226 HydrophobicContact CB-CD2 3.88Å; H221-L226 HydrophobicContact CB-CG 3.93Å; H221-R260 PolarHBondContact O-NH1 3.23Å; H221-R260 PolarHBondContact O-NH2 3.38Å |
| 222 | S | 97.9 | Very high | 98 | Very high | 51 Ų | 51 | 55.7 Ų | 55.7 | 36% | 0.357 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -64 | 164.7 | 169.9 | 81.4 | 0 | 0 | 0 | 0 | 110.7 | E224 E225 L226 | S222-E224 WeakPolarHBondContact CB-OE2 3.34Å; S222-E224 PolarHBondContact O-N 3.17Å; S222-E224 PolarHBondContact OG-N 3.13Å; S222-E224 PolarHBondContact OG-OE2 3.42Å; S222-E225 PolarHBondContact O-N 2.82Å; S222-E225 PolarHBondContact OG-N 2.8Å; S222-L226 WeakPolarHBondContact O-CB 3.4Å; S222-L226 WeakPolarHBondContact O-CG 3.5Å; S222-L226 PolarHBondContact O-N 2.94Å |
| 223 | T | 97.6 | Very high | 98 | Very high | 52 Ų | 52 | 55.2 Ų | 55.2 | 32% | 0.319 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.9 | -33.8 | 176.9 | 34.6 | 0 | 0 | 0 | 0 | 112.3 | A227 L261 | T223-A227 WeakPolarHBondContact O-CB 3.37Å; T223-A227 PolarHBondContact O-N 3.49Å; T223-L261 HydrophobicContact CG2-CD2 4.21Å; T223-L261 WeakPolarHBondContact O-CD2 3.46Å |
| 224 | E | 98.3 | Very high | 98 | Very high | 116 Ų | 116 | 57.9 Ų | 57.9 | 54% | 0.542 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -68.5 | -45.4 | 179.2 | -56.5 | 67 | -134.6 | 0 | 0 | 111.1 | S222 A227 K228 | S222-E224 WeakPolarHBondContact CB-OE2 3.34Å; S222-E224 PolarHBondContact O-N 3.17Å; S222-E224 PolarHBondContact OG-N 3.13Å; S222-E224 PolarHBondContact OG-OE2 3.42Å; E224-A227 PolarHBondContact O-N 3.38Å; E224-K228 WeakPolarHBondContact O-CG 3.34Å; E224-K228 PolarHBondContact O-N 2.96Å |
| 225 | E | 98.4 | Very high | 98 | Very high | 76 Ų | 76 | 57.7 Ų | 57.7 | 36% | 0.355 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -70.7 | -38.3 | 178.2 | -69.8 | -51.9 | 132.1 | 0 | 0 | 111.9 | H221 S222 A227 K228 V229 | H221-E225 HydrophobicContact CB-CB 3.82Å; S222-E225 PolarHBondContact O-N 2.82Å; S222-E225 PolarHBondContact OG-N 2.8Å; E225-A227 VanDerWaalsContact C-N 3.33Å; E225-A227 PolarHBondContact O-N 3.15Å; E225-K228 WeakPolarHBondContact O-CB 3.29Å; E225-K228 PolarHBondContact O-N 2.83Å; E225-K228 IonicContact OE1-NZ 2.68Å; E225-K228 PolarHBondContact OE1-NZ 2.83Å; E225-K228 IonicContact OE2-NZ 3.76Å; E225-V229 WeakPolarHBondContact O-CG2 3.06Å; E225-V229 PolarHBondContact O-N 2.85Å |
| 226 | L | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60 | -43.6 | 172.8 | -72 | 179.2 | 0 | 0 | 0 | 111.6 | L213 H221 S222 K228 V229 F230 A257 L261 | L213-L226 HydrophobicContact CB-CD2 4.09Å; L213-L226 HydrophobicContact CD2-CD2 3.79Å; H221-L226 HydrophobicContact CB-CD2 3.88Å; H221-L226 HydrophobicContact CB-CG 3.93Å; S222-L226 WeakPolarHBondContact O-CB 3.4Å; S222-L226 WeakPolarHBondContact O-CG 3.5Å; S222-L226 PolarHBondContact O-N 2.94Å; L226-K228 VanDerWaalsContact C-N 3.28Å; L226-K228 PolarHBondContact O-N 2.84Å; L226-V229 WeakPolarHBondContact O-CB 3.44Å; L226-V229 PolarHBondContact O-N 3.16Å; L226-V229 VanDerWaalsContact O-N 3.15Å; L226-F230 VanDerWaalsContact O-CD2 3.3Å; L226-F230 WeakPolarHBondContact O-CD2 3.38Å; L226-F230 PolarHBondContact O-N 3.3Å; L226-F230 VanDerWaalsContact O-N 3.16Å; L226-A257 HydrophobicContact CD1-CB 4.09Å; L226-A257 HydrophobicContact CD2-CB 4.02Å; L226-L261 HydrophobicContact CB-CD1 4.15Å; L226-L261 HydrophobicContact CB-CD2 4.14Å; L226-L261 HydrophobicContact CB-CG 4.33Å |
| 227 | A | 98.4 | Very high | 97.9 | Very high | 42 Ų | 42 | 52.6 Ų | 52.6 | 35% | 0.347 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.7 | -40 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | T223 E224 E225 F230 Q231 L261 | T223-A227 WeakPolarHBondContact O-CB 3.37Å; T223-A227 PolarHBondContact O-N 3.49Å; E224-A227 PolarHBondContact O-N 3.38Å; E225-A227 VanDerWaalsContact C-N 3.33Å; E225-A227 PolarHBondContact O-N 3.15Å; A227-F230 PolarHBondContact O-N 3.17Å; A227-Q231 WeakPolarHBondContact O-CB 3.42Å; A227-Q231 PolarHBondContact O-N 3.41Å; A227-L261 HydrophobicContact CB-CD2 4.14Å |
| 228 | K | 98.4 | Very high | 97.7 | Very high | 90 Ų | 90 | 58.5 Ų | 58.5 | 39% | 0.391 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 174.5 | -68.8 | 172.8 | -173.1 | 172 | 0 | 112.2 | E224 E225 L226 F230 Q231 Q232 | E224-K228 WeakPolarHBondContact O-CG 3.34Å; E224-K228 PolarHBondContact O-N 2.96Å; E225-K228 WeakPolarHBondContact O-CB 3.29Å; E225-K228 PolarHBondContact O-N 2.83Å; E225-K228 IonicContact OE1-NZ 2.68Å; E225-K228 PolarHBondContact OE1-NZ 2.83Å; E225-K228 IonicContact OE2-NZ 3.76Å; L226-K228 VanDerWaalsContact C-N 3.28Å; L226-K228 PolarHBondContact O-N 2.84Å; K228-F230 PolarHBondContact O-N 3.03Å; K228-Q231 PolarHBondContact O-N 3.15Å; K228-Q232 WeakPolarHBondContact O-CB 3.49Å; K228-Q232 VanDerWaalsContact O-CG 3.23Å; K228-Q232 WeakPolarHBondContact O-CG 3.35Å; K228-Q232 PolarHBondContact O-N 3.45Å |
| 229 | V | 98.6 | Very high | 97.7 | Very high | 23 Ų | 23 | 64 Ų | 64 | 14% | 0.139 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.1 | -48 | 177.7 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | I208 S212 L213 E225 L226 A233 | I208-V229 HydrophobicContact CG2-CG1 3.72Å; S212-V229 WeakPolarHBondContact O-CG2 3.25Å; L213-V229 HydrophobicContact CD2-CG1 3.94Å; E225-V229 WeakPolarHBondContact O-CG2 3.06Å; E225-V229 PolarHBondContact O-N 2.85Å; L226-V229 WeakPolarHBondContact O-CB 3.44Å; L226-V229 PolarHBondContact O-N 3.16Å; L226-V229 VanDerWaalsContact O-N 3.15Å; V229-A233 WeakPolarHBondContact O-CB 3.32Å; V229-A233 PolarHBondContact O-N 3.08Å |
| 230 | F | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 64.4 Ų | 64.4 | 0% | 0.004 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.5 | -44.1 | 176.4 | -78.3 | -80.6 | 0 | 0 | 0 | 112.2 | I208 L213 L226 A227 K228 A233 G234 V235 L237 L241 V254 A257 A258 L261 | I208-F230 HydrophobicContact CD1-CD1 3.72Å; I208-F230 HydrophobicContact CD1-CE1 3.99Å; I208-F230 HydrophobicContact CD1-CG 4.38Å; L213-F230 HydrophobicContact CD2-CE2 4.48Å; L226-F230 VanDerWaalsContact O-CD2 3.3Å; L226-F230 WeakPolarHBondContact O-CD2 3.38Å; L226-F230 PolarHBondContact O-N 3.3Å; L226-F230 VanDerWaalsContact O-N 3.16Å; A227-F230 PolarHBondContact O-N 3.17Å; K228-F230 PolarHBondContact O-N 3.03Å; F230-A233 PolarHBondContact O-N 3.15Å; F230-G234 PolarHBondContact O-N 3.25Å; F230-V235 HydrophobicContact CB-CB 4.34Å; F230-V235 HydrophobicContact CD1-CB 3.91Å; F230-V235 HydrophobicContact CD1-CG1 3.78Å; F230-V235 HydrophobicContact CD1-CG2 4.37Å; F230-V235 HydrophobicContact CE1-CG1 4.45Å; F230-V235 PolarHBondContact O-N 3Å; F230-L237 HydrophobicContact CB-CD1 4.1Å; F230-L237 HydrophobicContact CB-CG 4.33Å; F230-L237 HydrophobicContact CD1-CD2 3.83Å; F230-L237 HydrophobicContact CD1-CG 4.31Å; F230-L237 HydrophobicContact CD2-CD1 4.1Å; F230-L237 HydrophobicContact CD2-CD2 4.5Å; F230-L237 HydrophobicContact CE1-CD2 3.96Å; F230-L237 HydrophobicContact CG-CD1 4.01Å; F230-L237 HydrophobicContact CG-CD2 4.12Å; F230-L237 HydrophobicContact CG-CG 4.22Å; F230-L237 HydrophobicContact CZ-CD2 4.37Å; F230-L241 HydrophobicContact CE1-CD2 4.19Å; F230-V254 HydrophobicContact CE1-CG1 3.89Å; F230-V254 HydrophobicContact CZ-CG1 3.98Å; F230-A257 HydrophobicContact CE2-CB 3.83Å; F230-A257 HydrophobicContact CZ-CB 4.14Å; F230-A258 HydrophobicContact CZ-CB 4.16Å; F230-L261 HydrophobicContact CD2-CD1 3.62Å; F230-L261 HydrophobicContact CE2-CD1 3.84Å |
| 231 | Q | 98.2 | Very high | 97.7 | Very high | 147 Ų | 147 | 64.5 Ų | 64.5 | 69% | 0.687 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -61.3 | -45.9 | 179.1 | -174.9 | -175.9 | 31.5 | 0 | 0 | 112.1 | A227 K228 A233 G234 | A227-Q231 WeakPolarHBondContact O-CB 3.42Å; A227-Q231 PolarHBondContact O-N 3.41Å; K228-Q231 PolarHBondContact O-N 3.15Å; Q231-A233 VanDerWaalsContact C-N 3.28Å; Q231-A233 PolarHBondContact O-N 2.93Å; Q231-G234 PolarHBondContact O-N 3.37Å |
| 232 | Q | 98.3 | Very high | 97.7 | Very high | 159 Ų | 159 | 63.7 Ų | 63.7 | 74% | 0.743 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -65.1 | -32.5 | 179.7 | -73.6 | 172.8 | -2.4 | 0 | 0 | 112.5 | K228 G234 | K228-Q232 WeakPolarHBondContact O-CB 3.49Å; K228-Q232 VanDerWaalsContact O-CG 3.23Å; K228-Q232 WeakPolarHBondContact O-CG 3.35Å; K228-Q232 PolarHBondContact O-N 3.45Å; Q232-G234 PolarHBondContact O-N 3.26Å |
| 233 | A | 98.3 | Very high | 97.8 | Very high | 33 Ų | 33 | 61.3 Ų | 61.3 | 27% | 0.273 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -5.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | I206 I208 V229 F230 Q231 V235 | I206-A233 HydrophobicContact CG2-CB 4.13Å; I206-A233 VanDerWaalsContact CG2-O 3.3Å; I206-A233 WeakPolarHBondContact CG2-O 3.35Å; I208-A233 HydrophobicContact CD1-CB 3.65Å; I208-A233 HydrophobicContact CG1-CB 3.52Å; V229-A233 WeakPolarHBondContact O-CB 3.32Å; V229-A233 PolarHBondContact O-N 3.08Å; F230-A233 PolarHBondContact O-N 3.15Å; Q231-A233 VanDerWaalsContact C-N 3.28Å; Q231-A233 PolarHBondContact O-N 2.93Å; A233-V235 HydrophobicContact CB-CG2 4.23Å |
| 234 | G | 98.1 | Very high | 97.8 | Very high | 55 Ų | 55 | 58.8 Ų | 58.8 | 57% | 0.567 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.4 | 22.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | F230 Q231 Q232 | F230-G234 PolarHBondContact O-N 3.25Å; Q231-G234 PolarHBondContact O-N 3.37Å; Q232-G234 PolarHBondContact O-N 3.26Å |
| 235 | V | 98.4 | Very high | 97.8 | Very high | 9 Ų | 9 | 53.3 Ų | 53.3 | 6% | 0.055 | 28% | 0.284 | C | S | . | . | trans | -89.1 | 121.2 | 177.1 | -179.6 | 0 | 0 | 0 | 0 | 110.1 | V178 I206 I208 F230 A233 L237 L241 | V178-V235 HydrophobicContact CG2-CG1 4.4Å; V178-V235 HydrophobicContact CG2-CG2 3.59Å; I206-V235 HydrophobicContact CB-CG2 4.45Å; I206-V235 HydrophobicContact CD1-CG2 3.97Å; I206-V235 HydrophobicContact CG2-CG2 3.85Å; I208-V235 HydrophobicContact CD1-CG2 3.87Å; F230-V235 HydrophobicContact CB-CB 4.34Å; F230-V235 HydrophobicContact CD1-CB 3.91Å; F230-V235 HydrophobicContact CD1-CG1 3.78Å; F230-V235 HydrophobicContact CD1-CG2 4.37Å; F230-V235 HydrophobicContact CE1-CG1 4.45Å; F230-V235 PolarHBondContact O-N 3Å; A233-V235 HydrophobicContact CB-CG2 4.23Å; V235-L237 HydrophobicContact CG1-CD2 4.46Å; V235-L241 HydrophobicContact CG1-CD1 3.94Å; V235-L241 HydrophobicContact CG1-CD2 4.28Å | ||
| 236 | D | 96.9 | Very high | 97.7 | Very high | 52 Ų | 52 | 50.4 Ų | 50.4 | 28% | 0.278 | 27% | 0.272 | S | S | . | . | trans | -91.6 | 102.6 | 174.1 | -178 | -9.1 | 0 | 0 | 0 | 109.8 | Q176 E238 K239 | Q176-D236 PolarHBondContact NE2-O 3.04Å; D236-E238 PolarHBondContact O-N 3.37Å; D236-E238 WeakPolarHBondContact OD1-CB 3.38Å; D236-E238 PolarHBondContact OD1-N 3.27Å; D236-E238 VanDerWaalsContact OD1-N 3.08Å; D236-K239 HydrophobicContact CB-CB 4.44Å; D236-K239 HydrophobicContact CB-CD 4.12Å; D236-K239 HydrophobicContact CB-CG 4.34Å; D236-K239 PolarHBondContact O-N 3.37Å; D236-K239 VanDerWaalsContact O-N 3.1Å; D236-K239 WeakPolarHBondContact OD2-CD 3.13Å; D236-K239 WeakPolarHBondContact OD2-CE 3.4Å; D236-K239 IonicContact OD2-NZ 3.16Å; D236-K239 PolarHBondContact OD2-NZ 3.02Å | ||
| 237 | L | 94.5 | Very high | 97.6 | Very high | 25 Ų | 25 | 51.6 Ų | 51.6 | 13% | 0.131 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -16.8 | -176.6 | -71.2 | 168.4 | 0 | 0 | 0 | 113.6 | F230 V235 K239 L241 A258 L261 Y263 | F230-L237 HydrophobicContact CB-CD1 4.1Å; F230-L237 HydrophobicContact CB-CG 4.33Å; F230-L237 HydrophobicContact CD1-CD2 3.83Å; F230-L237 HydrophobicContact CD1-CG 4.31Å; F230-L237 HydrophobicContact CD2-CD1 4.1Å; F230-L237 HydrophobicContact CD2-CD2 4.5Å; F230-L237 HydrophobicContact CE1-CD2 3.96Å; F230-L237 HydrophobicContact CG-CD1 4.01Å; F230-L237 HydrophobicContact CG-CD2 4.12Å; F230-L237 HydrophobicContact CG-CG 4.22Å; F230-L237 HydrophobicContact CZ-CD2 4.37Å; V235-L237 HydrophobicContact CG1-CD2 4.46Å; L237-K239 PolarHBondContact O-N 3.18Å; L237-L241 HydrophobicContact CD2-CD2 3.87Å; L237-A258 HydrophobicContact CD2-CB 4.15Å; L237-L261 HydrophobicContact CD1-CB 4.35Å; L237-L261 HydrophobicContact CD1-CD1 3.47Å; L237-L261 VanDerWaalsContact CD1-CD1 3.47Å; L237-Y263 VanDerWaalsContact C-CE1 3.45Å; L237-Y263 HydrophobicContact CB-CD1 3.98Å; L237-Y263 HydrophobicContact CB-CD2 3.66Å; L237-Y263 HydrophobicContact CB-CE1 3.79Å; L237-Y263 HydrophobicContact CB-CE2 3.45Å; L237-Y263 VanDerWaalsContact CB-CE2 3.45Å; L237-Y263 HydrophobicContact CB-CG 3.9Å; L237-Y263 HydrophobicContact CD1-CD2 3.84Å; L237-Y263 HydrophobicContact CD1-CE2 3.74Å; L237-Y263 HydrophobicContact CD2-CD2 4.3Å; L237-Y263 HydrophobicContact CD2-CG 4.49Å; L237-Y263 HydrophobicContact CG-CD2 4.15Å; L237-Y263 HydrophobicContact CG-CE2 4.17Å; L237-Y263 WeakPolarHBondContact O-CD1 3.44Å; L237-Y263 WeakPolarHBondContact O-CE1 3.47Å |
| 238 | E | 93.8 | Very high | 97.5 | Very high | 166 Ų | 166 | 49.6 Ų | 49.6 | 78% | 0.776 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -13 | 174.8 | -58.8 | -170.1 | 157.8 | 0 | 0 | 112.5 | D236 Y263 | D236-E238 PolarHBondContact O-N 3.37Å; D236-E238 WeakPolarHBondContact OD1-CB 3.38Å; D236-E238 PolarHBondContact OD1-N 3.27Å; D236-E238 VanDerWaalsContact OD1-N 3.08Å; E238-Y263 HydrophobicContact CG-CE1 4.37Å |
| 239 | K | 96.1 | Very high | 97.5 | Very high | 119 Ų | 119 | 45.8 Ų | 45.8 | 52% | 0.517 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -96.8 | 157.7 | 174.9 | -71.3 | 178.5 | -175.8 | 127.6 | 0 | 111.6 | D236 L237 L241 | D236-K239 HydrophobicContact CB-CB 4.44Å; D236-K239 HydrophobicContact CB-CD 4.12Å; D236-K239 HydrophobicContact CB-CG 4.34Å; D236-K239 PolarHBondContact O-N 3.37Å; D236-K239 VanDerWaalsContact O-N 3.1Å; D236-K239 WeakPolarHBondContact OD2-CD 3.13Å; D236-K239 WeakPolarHBondContact OD2-CE 3.4Å; D236-K239 IonicContact OD2-NZ 3.16Å; D236-K239 PolarHBondContact OD2-NZ 3.02Å; L237-K239 PolarHBondContact O-N 3.18Å; K239-L241 PolarHBondContact O-N 3.19Å |
| 240 | P | 97.6 | Very high | 97.4 | Very high | 78 Ų | 78 | 45.4 Ų | 45.4 | 51% | 0.506 | 24% | 0.243 | S | C | . | . | trans | -51.3 | 133.7 | 173.2 | -28.5 | 37 | 0 | 0 | 0 | 112.3 | V175 Q176 | V175-P240 HydrophobicContact CB-CB 4.22Å; V175-P240 VanDerWaalsContact CG1-C 3.49Å; V175-P240 HydrophobicContact CG1-CB 3.79Å; V175-P240 WeakPolarHBondContact CG1-O 3.46Å; V175-P240 HydrophobicContact CG2-CB 3.92Å; Q176-P240 PolarHBondContact N-O 2.95Å | ||
| 241 | L | 98.4 | Very high | 97.4 | Very high | 12 Ų | 12 | 45.4 Ų | 45.4 | 6% | 0.063 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 134.3 | -176.8 | 178.4 | 65.1 | 0 | 0 | 0 | 110.4 | Q176 V178 F230 V235 L237 K239 A258 V266 G267 | Q176-L241 HydrophobicContact CB-CD1 3.96Å; Q176-L241 CarbonylContact O-C 3.46Å; Q176-L241 WeakPolarHBondContact O-CA 3.3Å; V178-L241 HydrophobicContact CB-CD1 4.33Å; V178-L241 HydrophobicContact CG2-CD1 3.63Å; F230-L241 HydrophobicContact CE1-CD2 4.19Å; V235-L241 HydrophobicContact CG1-CD1 3.94Å; V235-L241 HydrophobicContact CG1-CD2 4.28Å; L237-L241 HydrophobicContact CD2-CD2 3.87Å; K239-L241 PolarHBondContact O-N 3.19Å; L241-A258 HydrophobicContact CD2-CB 4.45Å; L241-V266 HydrophobicContact CB-CG1 4.39Å; L241-V266 HydrophobicContact CB-CG2 4.38Å; L241-V266 HydrophobicContact CD2-CG1 4.14Å; L241-V266 HydrophobicContact CD2-CG2 3.97Å; L241-V266 HydrophobicContact CG-CG1 3.91Å; L241-V266 HydrophobicContact CG-CG2 4.34Å; L241-V266 WeakPolarHBondContact O-CA 3.41Å; L241-V266 WeakPolarHBondContact O-CG1 3.43Å; L241-G267 PolarHBondContact O-N 3.31Å |
| 242 | W | 98.8 | Very high | 97.5 | Very high | 32 Ų | 32 | 38.4 Ų | 38.4 | 12% | 0.121 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 157.6 | 164.7 | -57.1 | -22.3 | 0 | 0 | 0 | 110.6 | K161 D165 N169 V175 Q176 V177 V178 G267 | K161-W242 HydrophobicContact CB-CE3 4.45Å; K161-W242 HydrophobicContact CD-CD2 3.89Å; K161-W242 VanDerWaalsContact CD-CE2 3.46Å; K161-W242 HydrophobicContact CD-CE3 4.36Å; K161-W242 HydrophobicContact CD-CG 4.39Å; K161-W242 HydrophobicContact CD-CH2 4.14Å; K161-W242 HydrophobicContact CD-CZ2 3.63Å; K161-W242 HydrophobicContact CD-CZ3 4.47Å; K161-W242 VanDerWaalsContact CE-NE1 3.33Å; K161-W242 HydrophobicContact CG-CD2 3.66Å; K161-W242 HydrophobicContact CG-CE3 4.07Å; K161-W242 HydrophobicContact CG-CG 3.88Å; K161-W242 HydrophobicContact CG-CZ2 4.34Å; D165-W242 HydrophobicContact CB-CH2 3.91Å; D165-W242 HydrophobicContact CB-CZ3 4.06Å; N169-W242 HydrophobicContact CB-CH2 4.02Å; N169-W242 HydrophobicContact CB-CZ3 3.66Å; V175-W242 HydrophobicContact CB-CD2 4.24Å; V175-W242 HydrophobicContact CB-CZ2 4.21Å; V175-W242 HydrophobicContact CG1-CB 4.46Å; V175-W242 HydrophobicContact CG1-CD2 3.68Å; V175-W242 HydrophobicContact CG1-CE3 4.38Å; V175-W242 HydrophobicContact CG1-CG 3.72Å; V175-W242 HydrophobicContact CG1-CZ2 4.24Å; V175-W242 HydrophobicContact CG2-CH2 4.21Å; V175-W242 HydrophobicContact CG2-CZ2 3.72Å; Q176-W242 PolarHBondContact O-N 3.04Å; V177-W242 WeakPolarHBondContact CA-O 3.46Å; V177-W242 HydrophobicContact CG1-CB 4.34Å; V177-W242 HydrophobicContact CG2-CB 4.39Å; V177-W242 HydrophobicContact CG2-CE3 4.03Å; V178-W242 PolarHBondContact N-O 2.99Å; W242-G267 CarbonylContact C-O 3.44Å; W242-G267 WeakPolarHBondContact CA-O 3.13Å |
| 243 | A | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 149.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | V178 A251 V254 I255 V266 G267 Y269 | V178-A243 CarbonylContact O-C 3.57Å; V178-A243 WeakPolarHBondContact O-CA 3.37Å; A243-A251 HydrophobicContact CB-CB 3.96Å; A243-A251 WeakPolarHBondContact CB-O 3.23Å; A243-V254 HydrophobicContact CB-CB 4.08Å; A243-V254 HydrophobicContact CB-CG1 4.24Å; A243-I255 HydrophobicContact CB-CD1 4.22Å; A243-I255 HydrophobicContact CB-CG1 3.84Å; A243-V266 HydrophobicContact CB-CG1 4.37Å; A243-G267 PolarHBondContact N-O 2.91Å; A243-Y269 PolarHBondContact O-N 2.81Å |
| 244 | S | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 161.1 | 175 | 179.7 | 0 | 0 | 0 | 0 | 109.2 | V178 D179 S180 | V178-S244 PolarHBondContact O-N 3.03Å; D179-S244 CarbonylContact C-O 3.16Å; D179-S244 VanDerWaalsContact CA-O 3.27Å; D179-S244 WeakPolarHBondContact CA-O 3.31Å; S180-S244 PolarHBondContact N-O 3.24Å |
| 245 | C | 98.1 | Very high | 97.6 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.007 | 14% | 0.135 | C | C | . | . | trans | -153.2 | -128.7 | 166 | 67.1 | 0 | 0 | 0 | 0 | 109.7 | S180 R181 G248 I249 T250 A251 S272 W273 | S180-C245 VanDerWaalsContact OG-CB 3.32Å; S180-C245 WeakPolarHBondContact OG-CB 3.38Å; R181-C245 HydrophobicContact CG-CB 4.19Å; C245-G248 PolarHBondContact SG-N 3.23Å; C245-I249 PolarHBondContact SG-N 3.19Å; C245-I249 VanDerWaalsContact SG-N 3.43Å; C245-T250 VanDerWaalsContact CB-OG1 3.25Å; C245-T250 WeakPolarHBondContact CB-OG1 3.38Å; C245-T250 PolarHBondContact SG-N 3.26Å; C245-T250 VanDerWaalsContact SG-N 3.41Å; C245-T250 PolarHBondContact SG-OG1 3.04Å; C245-A251 HydrophobicContact CB-CB 4.03Å; C245-A251 PolarHBondContact SG-N 3.34Å; C245-A251 VanDerWaalsContact SG-N 3.38Å; C245-S272 PolarHBondContact N-OG 3.19Å; C245-S272 VanDerWaalsContact N-OG 3.12Å; C245-S272 WeakPolarHBondContact O-CB 3.41Å; C245-W273 WeakPolarHBondContact O-CB 3.46Å; C245-W273 PolarHBondContact O-N 3.42Å | ||
| 246 | S | 96.6 | Very high | 97.6 | Very high | 15 Ų | 15 | 26.3 Ų | 26.3 | 11% | 0.105 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -86.1 | -44.8 | 174.7 | -35.1 | 0 | 0 | 0 | 0 | 113.4 | R181 R185 S272 T274 | R181-S246 WeakPolarHBondContact CD-OG 3.44Å; R181-S246 WeakPolarHBondContact CG-OG 3.34Å; R185-S246 PolarHBondContact NH2-OG 3.25Å; S246-S272 VanDerWaalsContact C-CB 3.45Å; S246-T274 WeakPolarHBondContact O-CB 3.43Å; S246-T274 PolarHBondContact O-N 3Å; S246-T274 VanDerWaalsContact O-N 3.1Å; S246-T274 PolarHBondContact O-OG1 2.81Å |
| 247 | L | 95.5 | Very high | 97.6 | Very high | 24 Ų | 24 | 23.8 Ų | 23.8 | 13% | 0.126 | 12% | 0.12 | C | C | . | . | S | Bend | trans | -145.7 | 25.2 | -166.8 | -62.1 | 173.2 | 0 | 0 | 0 | 111.9 | D70 I249 T274 | D70-L247 HydrophobicContact CB-CD2 4.39Å; L247-I249 PolarHBondContact O-N 2.9Å; L247-I249 VanDerWaalsContact O-N 3.11Å; L247-T274 HydrophobicContact CD2-CG2 4.12Å; L247-T274 VanDerWaalsContact CD2-OG1 3.23Å; L247-T274 WeakPolarHBondContact CD2-OG1 3.47Å |
| 248 | G | 96.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | S | Bend | trans | 70.6 | 6.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116 | R109 C245 C252 S272 | R109-G248 PolarHBondContact NH1-O 3.04Å; C245-G248 PolarHBondContact SG-N 3.23Å; G248-C252 PolarHBondContact O-SG 3.43Å; G248-C252 VanDerWaalsContact O-SG 3.41Å; G248-S272 WeakPolarHBondContact CA-OG 3.3Å; G248-S272 PolarHBondContact N-OG 3.05Å |
| 249 | I | 97.6 | Very high | 98 | Very high | 10 Ų | 10 | 17.2 Ų | 17.2 | 5% | 0.051 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -85.2 | -71.6 | -178.4 | -61.2 | 176.7 | 0 | 0 | 0 | 111.2 | Y34 R109 C245 L247 A251 C252 | Y34-I249 HydrophobicContact CD1-CD1 3.74Å; Y34-I249 HydrophobicContact CD2-CD1 3.75Å; Y34-I249 HydrophobicContact CE1-CD1 3.86Å; Y34-I249 HydrophobicContact CE2-CD1 3.88Å; Y34-I249 HydrophobicContact CG-CD1 3.67Å; R109-I249 HydrophobicContact CB-CG2 4.19Å; R109-I249 HydrophobicContact CG-CG1 4.47Å; C245-I249 PolarHBondContact SG-N 3.19Å; C245-I249 VanDerWaalsContact SG-N 3.43Å; L247-I249 PolarHBondContact O-N 2.9Å; L247-I249 VanDerWaalsContact O-N 3.11Å; I249-A251 PolarHBondContact O-N 3.18Å; I249-C252 WeakPolarHBondContact O-CB 3.23Å; I249-C252 PolarHBondContact O-N 3.27Å; I249-C252 VanDerWaalsContact O-N 3.08Å |
| 250 | T | 98.4 | Very high | 98.1 | Very high | 16 Ų | 16 | 14.8 Ų | 14.8 | 10% | 0.098 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -20 | -173.8 | 56.1 | 0 | 0 | 0 | 0 | 113.6 | L105 S180 F210 C245 C252 H253 | L105-T250 HydrophobicContact CD1-CG2 3.74Å; S180-T250 PolarHBondContact OG-O 3.3Å; S180-T250 PolarHBondContact OG-OG1 2.96Å; S180-T250 VanDerWaalsContact OG-OG1 3.06Å; F210-T250 HydrophobicContact CD1-CG2 3.93Å; F210-T250 HydrophobicContact CE1-CG2 4.14Å; F210-T250 HydrophobicContact CG-CG2 4.2Å; C245-T250 VanDerWaalsContact CB-OG1 3.25Å; C245-T250 WeakPolarHBondContact CB-OG1 3.38Å; C245-T250 PolarHBondContact SG-N 3.26Å; C245-T250 VanDerWaalsContact SG-N 3.41Å; C245-T250 PolarHBondContact SG-OG1 3.04Å; T250-C252 PolarHBondContact O-N 3.43Å; T250-C252 VanDerWaalsContact O-N 3.14Å; T250-H253 VanDerWaalsContact O-CB 3.29Å; T250-H253 WeakPolarHBondContact O-CB 3.27Å; T250-H253 PolarHBondContact O-CD2 3.28Å; T250-H253 PolarHBondContact O-N 3.2Å |
| 251 | A | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -57 | -28.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S180 A243 C245 I249 H253 V254 I255 L268 | S180-A251 WeakPolarHBondContact OG-CA 3.48Å; S180-A251 PolarHBondContact OG-N 3.42Å; A243-A251 HydrophobicContact CB-CB 3.96Å; A243-A251 WeakPolarHBondContact CB-O 3.23Å; C245-A251 HydrophobicContact CB-CB 4.03Å; C245-A251 PolarHBondContact SG-N 3.34Å; C245-A251 VanDerWaalsContact SG-N 3.38Å; I249-A251 PolarHBondContact O-N 3.18Å; A251-H253 PolarHBondContact O-N 3.35Å; A251-V254 WeakPolarHBondContact O-CB 3.34Å; A251-V254 PolarHBondContact O-N 2.93Å; A251-V254 VanDerWaalsContact O-N 3.09Å; A251-I255 PolarHBondContact O-N 3.25Å; A251-L268 HydrophobicContact CB-CD1 3.35Å |
| 252 | C | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -68.1 | -17.2 | 177.6 | -61.9 | 0 | 0 | 0 | 0 | 113.1 | P108 W112 G248 I249 T250 I255 L256 | P108-C252 VanDerWaalsContact C-CB 3.44Å; P108-C252 HydrophobicContact CB-CB 3.87Å; P108-C252 VanDerWaalsContact O-CB 3.32Å; P108-C252 WeakPolarHBondContact O-CB 3.16Å; W112-C252 HydrophobicContact CB-CB 4.17Å; G248-C252 PolarHBondContact O-SG 3.43Å; G248-C252 VanDerWaalsContact O-SG 3.41Å; I249-C252 WeakPolarHBondContact O-CB 3.23Å; I249-C252 PolarHBondContact O-N 3.27Å; I249-C252 VanDerWaalsContact O-N 3.08Å; T250-C252 PolarHBondContact O-N 3.43Å; T250-C252 VanDerWaalsContact O-N 3.14Å; C252-I255 PolarHBondContact O-N 3.01Å; C252-L256 WeakPolarHBondContact O-CB 3.4Å; C252-L256 PolarHBondContact O-N 3.11Å |
| 253 | H | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -65.7 | -42.1 | 168.7 | -74.5 | -112.8 | 0 | 0 | 0 | 111.4 | S104 L105 F210 L213 Y220 T250 A251 I255 L256 A257 | S104-H253 PolarHBondContact O-CE1 3.46Å; S104-H253 VanDerWaalsContact O-CE1 3.26Å; L105-H253 PolarHBondContact O-NE2 2.67Å; F210-H253 HydrophobicContact CB-CB 3.97Å; F210-H253 AromaticContact CD2-CE1 3.72Å; F210-H253 AromaticContact CD2-ND1 3.85Å; F210-H253 AromaticContact CD2-NE2 3.94Å; L213-H253 HydrophobicContact CD1-CB 3.79Å; Y220-H253 AromaticContact CE1-ND1 3.98Å; Y220-H253 AromaticContact CZ-ND1 3.75Å; Y220-H253 PolarHBondContact OH-CE1 2.91Å; Y220-H253 PolarHBondContact OH-ND1 2.85Å; T250-H253 VanDerWaalsContact O-CB 3.29Å; T250-H253 WeakPolarHBondContact O-CB 3.27Å; T250-H253 PolarHBondContact O-CD2 3.28Å; T250-H253 PolarHBondContact O-N 3.2Å; A251-H253 PolarHBondContact O-N 3.35Å; H253-I255 VanDerWaalsContact C-N 3.32Å; H253-I255 PolarHBondContact O-N 2.91Å; H253-L256 PolarHBondContact O-N 3.19Å; H253-A257 WeakPolarHBondContact O-CB 3.33Å; H253-A257 PolarHBondContact O-N 3.42Å |
| 254 | V | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.2 | -43.8 | 175.6 | 178.8 | 0 | 0 | 0 | 0 | 109.9 | V178 L213 F230 A243 A251 A257 A258 | V178-V254 HydrophobicContact CB-CG1 4.06Å; V178-V254 HydrophobicContact CG1-CB 4.44Å; V178-V254 HydrophobicContact CG1-CG1 3.84Å; V178-V254 HydrophobicContact CG1-CG2 3.77Å; L213-V254 HydrophobicContact CD1-CG2 4.2Å; F230-V254 HydrophobicContact CE1-CG1 3.89Å; F230-V254 HydrophobicContact CZ-CG1 3.98Å; A243-V254 HydrophobicContact CB-CB 4.08Å; A243-V254 HydrophobicContact CB-CG1 4.24Å; A251-V254 WeakPolarHBondContact O-CB 3.34Å; A251-V254 PolarHBondContact O-N 2.93Å; A251-V254 VanDerWaalsContact O-N 3.09Å; V254-A257 PolarHBondContact O-N 2.8Å; V254-A258 WeakPolarHBondContact O-CB 3.38Å; V254-A258 PolarHBondContact O-N 3.41Å |
| 255 | I | 98.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.9 | -43.4 | 177.4 | -58.9 | 173.9 | 0 | 0 | 0 | 111.1 | W111 W112 A243 A251 C252 H253 H259 V266 L268 | W111-I255 HydrophobicContact CH2-CG2 4.15Å; W111-I255 HydrophobicContact CZ3-CB 4.38Å; W111-I255 HydrophobicContact CZ3-CG2 3.89Å; W112-I255 HydrophobicContact CG-CD1 4.37Å; A243-I255 HydrophobicContact CB-CD1 4.22Å; A243-I255 HydrophobicContact CB-CG1 3.84Å; A251-I255 PolarHBondContact O-N 3.25Å; C252-I255 PolarHBondContact O-N 3.01Å; H253-I255 VanDerWaalsContact C-N 3.32Å; H253-I255 PolarHBondContact O-N 2.91Å; I255-H259 WeakPolarHBondContact O-CB 3.45Å; I255-H259 PolarHBondContact O-N 3.29Å; I255-V266 HydrophobicContact CB-CB 4.47Å; I255-V266 HydrophobicContact CG1-CB 4.11Å; I255-V266 HydrophobicContact CG1-CG1 3.79Å; I255-V266 HydrophobicContact CG2-CB 4.21Å; I255-L268 HydrophobicContact CD1-CB 3.8Å; I255-L268 HydrophobicContact CD1-CD1 4.15Å; I255-L268 HydrophobicContact CD1-CG 4.43Å |
| 256 | L | 98.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.9 | -43.3 | 177.8 | 178.8 | 56.7 | 0 | 0 | 0 | 111.7 | A7 V8 P108 W111 V124 Y220 C252 H253 H259 R260 | A7-L256 HydrophobicContact CB-CD1 3.62Å; V8-L256 HydrophobicContact CG2-CD1 4.22Å; V8-L256 HydrophobicContact CG2-CD2 4.08Å; V8-L256 HydrophobicContact CG2-CG 4.39Å; P108-L256 HydrophobicContact CB-CD2 4.31Å; P108-L256 HydrophobicContact CG-CD2 4.26Å; W111-L256 HydrophobicContact CD2-CD1 4.12Å; W111-L256 HydrophobicContact CE3-CB 4.2Å; W111-L256 HydrophobicContact CE3-CD1 4.32Å; W111-L256 HydrophobicContact CH2-CB 4.1Å; W111-L256 HydrophobicContact CH2-CD1 3.85Å; W111-L256 HydrophobicContact CZ2-CD1 3.61Å; W111-L256 HydrophobicContact CZ3-CB 3.82Å; W111-L256 HydrophobicContact CZ3-CD1 4.2Å; V124-L256 HydrophobicContact CB-CD2 4.11Å; V124-L256 HydrophobicContact CG2-CD2 3.77Å; Y220-L256 HydrophobicContact CE1-CD2 4.09Å; Y220-L256 HydrophobicContact CE1-CG 4.43Å; Y220-L256 HydrophobicContact CE2-CD2 3.9Å; Y220-L256 WeakPolarHBondContact OH-CD2 3.41Å; C252-L256 WeakPolarHBondContact O-CB 3.4Å; C252-L256 PolarHBondContact O-N 3.11Å; H253-L256 PolarHBondContact O-N 3.19Å; L256-H259 WeakPolarHBondContact O-CB 3.46Å; L256-H259 PolarHBondContact O-N 3.04Å; L256-R260 HydrophobicContact CD1-CG 4.42Å; L256-R260 WeakPolarHBondContact O-CG 3.47Å; L256-R260 PolarHBondContact O-N 2.77Å |
| 257 | A | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.1 | -49.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L213 L226 F230 H253 V254 H259 R260 L261 | L213-A257 HydrophobicContact CD1-CB 4.22Å; L213-A257 HydrophobicContact CD2-CB 3.93Å; L226-A257 HydrophobicContact CD1-CB 4.09Å; L226-A257 HydrophobicContact CD2-CB 4.02Å; F230-A257 HydrophobicContact CE2-CB 3.83Å; F230-A257 HydrophobicContact CZ-CB 4.14Å; H253-A257 WeakPolarHBondContact O-CB 3.33Å; H253-A257 PolarHBondContact O-N 3.42Å; V254-A257 PolarHBondContact O-N 2.8Å; A257-H259 VanDerWaalsContact C-N 3.3Å; A257-H259 PolarHBondContact O-N 3.11Å; A257-R260 PolarHBondContact O-N 3.07Å; A257-L261 WeakPolarHBondContact O-CG 3.4Å; A257-L261 PolarHBondContact O-N 2.87Å; A257-L261 VanDerWaalsContact O-N 3.13Å |
| 258 | A | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.4 | -41.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F230 L237 L241 V254 R260 L261 G262 Y263 V266 | F230-A258 HydrophobicContact CZ-CB 4.16Å; L237-A258 HydrophobicContact CD2-CB 4.15Å; L241-A258 HydrophobicContact CD2-CB 4.45Å; V254-A258 WeakPolarHBondContact O-CB 3.38Å; V254-A258 PolarHBondContact O-N 3.41Å; A258-R260 PolarHBondContact O-N 3.39Å; A258-L261 CarbonylContact O-C 3.56Å; A258-L261 WeakPolarHBondContact O-CA 3.08Å; A258-L261 WeakPolarHBondContact O-CB 3.17Å; A258-L261 PolarHBondContact O-N 3.37Å; A258-L261 VanDerWaalsContact O-N 3.1Å; A258-G262 PolarHBondContact O-N 3.46Å; A258-Y263 CarbonylContact C-O 3.57Å; A258-Y263 WeakPolarHBondContact O-CA 3.29Å; A258-Y263 WeakPolarHBondContact O-CB 3.4Å; A258-Y263 PolarHBondContact O-N 3.28Å; A258-V266 HydrophobicContact CB-CG2 3.64Å |
| 259 | H | 97.9 | Very high | 96.7 | Very high | 52 Ų | 52 | 21.7 Ų | 21.7 | 24% | 0.241 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.7 | -40.7 | 176.1 | 178.6 | 67 | 0 | 0 | 0 | 112.6 | W111 I255 L256 A257 L261 G262 Y263 | W111-H259 HydrophobicContact CH2-CB 3.97Å; W111-H259 HydrophobicContact CZ2-CB 4.3Å; W111-H259 AromaticContact CZ2-CD2 3.64Å; W111-H259 AromaticContact CZ2-CG 3.99Å; I255-H259 WeakPolarHBondContact O-CB 3.45Å; I255-H259 PolarHBondContact O-N 3.29Å; L256-H259 WeakPolarHBondContact O-CB 3.46Å; L256-H259 PolarHBondContact O-N 3.04Å; A257-H259 VanDerWaalsContact C-N 3.3Å; A257-H259 PolarHBondContact O-N 3.11Å; H259-L261 PolarHBondContact O-N 3.38Å; H259-G262 PolarHBondContact O-N 2.83Å; H259-Y263 PolarHBondContact N-O 3.39Å |
| 260 | R | 97.3 | Very high | 96.7 | Very high | 69 Ų | 69 | 21.4 Ų | 21.4 | 26% | 0.26 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -65.7 | -26.6 | 175 | -71.5 | 178.8 | 71.3 | -145.4 | -1.5 | 113 | H221 L256 A257 A258 G262 | H221-R260 PolarHBondContact O-NH1 3.23Å; H221-R260 PolarHBondContact O-NH2 3.38Å; L256-R260 HydrophobicContact CD1-CG 4.42Å; L256-R260 WeakPolarHBondContact O-CG 3.47Å; L256-R260 PolarHBondContact O-N 2.77Å; A257-R260 PolarHBondContact O-N 3.07Å; A258-R260 PolarHBondContact O-N 3.39Å; R260-G262 PolarHBondContact O-N 2.99Å |
| 261 | L | 97.1 | Very high | 96.7 | Very high | 34 Ų | 34 | 20.8 Ų | 20.8 | 18% | 0.178 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 4.2 | 172.9 | -63.4 | 174.8 | 0 | 0 | 0 | 113.3 | T223 L226 A227 F230 L237 A257 A258 H259 Y263 | T223-L261 HydrophobicContact CG2-CD2 4.21Å; T223-L261 WeakPolarHBondContact O-CD2 3.46Å; L226-L261 HydrophobicContact CB-CD1 4.15Å; L226-L261 HydrophobicContact CB-CD2 4.14Å; L226-L261 HydrophobicContact CB-CG 4.33Å; A227-L261 HydrophobicContact CB-CD2 4.14Å; F230-L261 HydrophobicContact CD2-CD1 3.62Å; F230-L261 HydrophobicContact CE2-CD1 3.84Å; L237-L261 HydrophobicContact CD1-CB 4.35Å; L237-L261 HydrophobicContact CD1-CD1 3.47Å; L237-L261 VanDerWaalsContact CD1-CD1 3.47Å; A257-L261 WeakPolarHBondContact O-CG 3.4Å; A257-L261 PolarHBondContact O-N 2.87Å; A257-L261 VanDerWaalsContact O-N 3.13Å; A258-L261 CarbonylContact O-C 3.56Å; A258-L261 WeakPolarHBondContact O-CA 3.08Å; A258-L261 WeakPolarHBondContact O-CB 3.17Å; A258-L261 PolarHBondContact O-N 3.37Å; A258-L261 VanDerWaalsContact O-N 3.1Å; H259-L261 PolarHBondContact O-N 3.38Å; L261-Y263 HydrophobicContact CB-CD2 3.82Å; L261-Y263 HydrophobicContact CB-CE2 4.16Å; L261-Y263 WeakPolarHBondContact O-CD2 3.32Å; L261-Y263 WeakPolarHBondContact O-CE2 3.45Å |
| 262 | G | 95.7 | Very high | 96.7 | Very high | 62 Ų | 62 | 20.8 Ų | 20.8 | 64% | 0.639 | 13% | 0.128 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 93 | -4.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | A258 H259 R260 S264 | A258-G262 PolarHBondContact O-N 3.46Å; H259-G262 PolarHBondContact O-N 2.83Å; R260-G262 PolarHBondContact O-N 2.99Å; G262-S264 PolarHBondContact O-N 3.23Å |
| 263 | Y | 94.2 | Very high | 96.6 | Very high | 85 Ų | 85 | 20.8 Ų | 20.8 | 33% | 0.333 | 13% | 0.128 | S | C | . | . | trans | -92 | 82.1 | -178.4 | -58.7 | -85 | 0 | 0 | 0 | 110.6 | L237 E238 A258 H259 L261 | L237-Y263 VanDerWaalsContact C-CE1 3.45Å; L237-Y263 HydrophobicContact CB-CD1 3.98Å; L237-Y263 HydrophobicContact CB-CD2 3.66Å; L237-Y263 HydrophobicContact CB-CE1 3.79Å; L237-Y263 HydrophobicContact CB-CE2 3.45Å; L237-Y263 VanDerWaalsContact CB-CE2 3.45Å; L237-Y263 HydrophobicContact CB-CG 3.9Å; L237-Y263 HydrophobicContact CD1-CD2 3.84Å; L237-Y263 HydrophobicContact CD1-CE2 3.74Å; L237-Y263 HydrophobicContact CD2-CD2 4.3Å; L237-Y263 HydrophobicContact CD2-CG 4.49Å; L237-Y263 HydrophobicContact CG-CD2 4.15Å; L237-Y263 HydrophobicContact CG-CE2 4.17Å; L237-Y263 WeakPolarHBondContact O-CD1 3.44Å; L237-Y263 WeakPolarHBondContact O-CE1 3.47Å; E238-Y263 HydrophobicContact CG-CE1 4.37Å; A258-Y263 CarbonylContact C-O 3.57Å; A258-Y263 WeakPolarHBondContact O-CA 3.29Å; A258-Y263 WeakPolarHBondContact O-CB 3.4Å; A258-Y263 PolarHBondContact O-N 3.28Å; H259-Y263 PolarHBondContact N-O 3.39Å; L261-Y263 HydrophobicContact CB-CD2 3.82Å; L261-Y263 HydrophobicContact CB-CE2 4.16Å; L261-Y263 WeakPolarHBondContact O-CD2 3.32Å; L261-Y263 WeakPolarHBondContact O-CE2 3.45Å | ||
| 264 | S | 86.4 | Confident | 96.5 | Very high | 83 Ų | 83 | 20.9 Ų | 20.9 | 58% | 0.58 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | 141.6 | 173 | 66.6 | 0 | 0 | 0 | 0 | 111.5 | G262 | G262-S264 PolarHBondContact O-N 3.23Š|
| 265 | G | 84.9 | Confident | 96.5 | Very high | 31 Ų | 31 | 21.6 Ų | 21.6 | 32% | 0.32 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 103.3 | 14.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | G267 | G265-G267 PolarHBondContact O-N 3.1Š|
| 266 | V | 96.6 | Very high | 96.5 | Very high | 9 Ų | 9 | 21.5 Ų | 21.5 | 6% | 0.055 | 13% | 0.132 | C | C | . | . | trans | -56.4 | 122.5 | 167.2 | -178.9 | 0 | 0 | 0 | 0 | 109.4 | L241 A243 I255 A258 | L241-V266 HydrophobicContact CB-CG1 4.39Å; L241-V266 HydrophobicContact CB-CG2 4.38Å; L241-V266 HydrophobicContact CD2-CG1 4.14Å; L241-V266 HydrophobicContact CD2-CG2 3.97Å; L241-V266 HydrophobicContact CG-CG1 3.91Å; L241-V266 HydrophobicContact CG-CG2 4.34Å; L241-V266 WeakPolarHBondContact O-CA 3.41Å; L241-V266 WeakPolarHBondContact O-CG1 3.43Å; A243-V266 HydrophobicContact CB-CG1 4.37Å; I255-V266 HydrophobicContact CB-CB 4.47Å; I255-V266 HydrophobicContact CG1-CB 4.11Å; I255-V266 HydrophobicContact CG1-CG1 3.79Å; I255-V266 HydrophobicContact CG2-CB 4.21Å; A258-V266 HydrophobicContact CB-CG2 3.64Å | ||
| 267 | G | 97.8 | Very high | 96.4 | Very high | 2 Ų | 2 | 23.8 Ų | 23.8 | 2% | 0.021 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 151.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | W159 L241 W242 A243 G265 | W159-G267 CarbonylContact O-C 3.05Å; W159-G267 VanDerWaalsContact O-CA 3.25Å; W159-G267 WeakPolarHBondContact O-CA 3.28Å; L241-G267 PolarHBondContact O-N 3.31Å; W242-G267 CarbonylContact C-O 3.44Å; W242-G267 WeakPolarHBondContact CA-O 3.13Å; A243-G267 PolarHBondContact N-O 2.91Å; G265-G267 PolarHBondContact O-N 3.1Å |
| 268 | L | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 125.3 | 173.6 | 179.8 | 62.9 | 0 | 0 | 0 | 109.8 | W112 W159 K161 A251 I255 D270 | W112-L268 HydrophobicContact CD2-CD2 4.04Å; W112-L268 HydrophobicContact CE3-CD2 3.77Å; W112-L268 HydrophobicContact CH2-CB 3.89Å; W112-L268 HydrophobicContact CH2-CD2 3.51Å; W112-L268 HydrophobicContact CH2-CG 4.25Å; W112-L268 HydrophobicContact CZ2-CB 3.47Å; W112-L268 VanDerWaalsContact CZ2-CB 3.47Å; W112-L268 HydrophobicContact CZ2-CD2 3.83Å; W112-L268 HydrophobicContact CZ2-CG 4.28Å; W112-L268 HydrophobicContact CZ3-CD2 3.49Å; W112-L268 VanDerWaalsContact CZ3-CD2 3.49Å; W159-L268 PolarHBondContact O-N 3.14Å; K161-L268 PolarHBondContact N-O 2.9Å; A251-L268 HydrophobicContact CB-CD1 3.35Å; I255-L268 HydrophobicContact CD1-CB 3.8Å; I255-L268 HydrophobicContact CD1-CD1 4.15Å; I255-L268 HydrophobicContact CD1-CG 4.43Å; L268-D270 PolarHBondContact O-N 3.38Å |
| 269 | Y | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 97.6 | 160.6 | 175.9 | -146.2 | 0 | 0 | 0 | 109.5 | K161 V166 F202 A243 S272 E275 F276 | K161-Y269 WeakPolarHBondContact O-CD2 3.35Å; V166-Y269 HydrophobicContact CG2-CD1 3.69Å; V166-Y269 HydrophobicContact CG2-CD2 3.98Å; V166-Y269 HydrophobicContact CG2-CE1 4.05Å; V166-Y269 HydrophobicContact CG2-CE2 4.35Å; V166-Y269 HydrophobicContact CG2-CG 3.65Å; F202-Y269 HydrophobicContact CE1-CD1 4.48Å; A243-Y269 PolarHBondContact O-N 2.81Å; Y269-S272 WeakPolarHBondContact CE1-O 3.23Å; Y269-S272 PolarHBondContact O-N 3.43Å; Y269-S272 PolarHBondContact O-OG 2.97Å; Y269-S272 PolarHBondContact OH-O 2.65Å; Y269-E275 WeakPolarHBondContact CE2-OE2 3.31Å; Y269-E275 PolarHBondContact OH-OE2 3.09Å; Y269-F276 HydrophobicContact CE1-CB 4.03Å; Y269-F276 HydrophobicContact CE1-CD2 4.4Å; Y269-F276 PolarHBondContact OH-N 3.38Å |
| 270 | D | 97.9 | Very high | 96.2 | Very high | 4 Ų | 4 | 30.8 Ų | 30.8 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -66.7 | -45.7 | -166.1 | -161 | 31.8 | 0 | 0 | 0 | 112.2 | M72 L73 R109 V160 K161 L268 S272 | M72-D270 WeakPolarHBondContact CA-OD2 3.2Å; M72-D270 HydrophobicContact CE-CB 4.01Å; M72-D270 HydrophobicContact SD-CB 4.47Å; L73-D270 PolarHBondContact N-OD2 3.36Å; R109-D270 IonicContact CZ-OD1 2.63Å; R109-D270 IonicContact NH1-OD1 3.19Å; R109-D270 PolarHBondContact NH1-OD1 3.04Å; R109-D270 IonicContact NH2-OD1 3Å; R109-D270 PolarHBondContact NH2-OD1 3.04Å; R109-D270 IonicContact NH2-OD2 3.56Å; V160-D270 HydrophobicContact CG1-CB 4.29Å; K161-D270 PolarHBondContact O-N 3.05Å; L268-D270 PolarHBondContact O-N 3.38Å; D270-S272 PolarHBondContact O-N 3.22Å |
| 271 | G | 97.4 | Very high | 96.2 | Very high | 3 Ų | 3 | 29.8 Ų | 29.8 | 3% | 0.031 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -69 | -21.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | M72 E275 | M72-G271 VanDerWaalsContact SD-CA 3.59Å; G271-E275 WeakPolarHBondContact CA-OE2 3.44Å; G271-E275 WeakPolarHBondContact O-CB 3.04Å; G271-E275 PolarHBondContact O-N 3.26Å; G271-E275 VanDerWaalsContact O-N 3.12Å |
| 272 | S | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | 55.3 | -159.1 | 168 | -86.5 | 0 | 0 | 0 | 0 | 113 | C245 S246 G248 Y269 D270 T274 E275 F276 | C245-S272 PolarHBondContact N-OG 3.19Å; C245-S272 VanDerWaalsContact N-OG 3.12Å; C245-S272 WeakPolarHBondContact O-CB 3.41Å; S246-S272 VanDerWaalsContact C-CB 3.45Å; G248-S272 WeakPolarHBondContact CA-OG 3.3Å; G248-S272 PolarHBondContact N-OG 3.05Å; Y269-S272 WeakPolarHBondContact CE1-O 3.23Å; Y269-S272 PolarHBondContact O-N 3.43Å; Y269-S272 PolarHBondContact O-OG 2.97Å; Y269-S272 PolarHBondContact OH-O 2.65Å; D270-S272 PolarHBondContact O-N 3.22Å; S272-T274 VanDerWaalsContact C-N 3.27Å; S272-T274 PolarHBondContact O-N 3.01Å; S272-E275 PolarHBondContact O-N 3.44Å; S272-F276 WeakPolarHBondContact O-CB 3.27Å; S272-F276 PolarHBondContact O-N 2.85Å |
| 273 | W | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58 | -36.8 | -177.3 | -176.6 | -115.5 | 0 | 0 | 0 | 113.5 | R181 L198 G200 H201 F202 C245 E275 F276 F277 I285 | R181-W273 VanDerWaalsContact CZ-CG 3.46Å; R181-W273 VanDerWaalsContact NH1-CG 3.27Å; L198-W273 PolarHBondContact O-NE1 3.26Å; G200-W273 VanDerWaalsContact C-CZ2 3.41Å; G200-W273 WeakPolarHBondContact O-CZ2 3.42Å; H201-W273 VanDerWaalsContact CA-CH2 3.5Å; F202-W273 HydrophobicContact CB-CZ3 4.42Å; F202-W273 HydrophobicContact CD1-CE3 4.21Å; F202-W273 HydrophobicContact CD1-CZ3 4.25Å; C245-W273 WeakPolarHBondContact O-CB 3.46Å; C245-W273 PolarHBondContact O-N 3.42Å; W273-E275 PolarHBondContact O-N 3.21Å; W273-F276 HydrophobicContact CE3-CB 4.3Å; W273-F276 HydrophobicContact CE3-CD1 4.08Å; W273-F276 HydrophobicContact CH2-CD1 4.43Å; W273-F276 AromaticContact CZ3-CD1 3.62Å; W273-F276 HydrophobicContact CZ3-CD1 3.62Å; W273-F276 HydrophobicContact CZ3-CE1 4.22Å; W273-F276 HydrophobicContact CZ3-CG 4.44Å; W273-F276 PolarHBondContact O-N 3.38Å; W273-F277 HydrophobicContact CD2-CB 4.5Å; W273-F277 HydrophobicContact CZ2-CB 4.38Å; W273-F277 HydrophobicContact CZ2-CD2 4.08Å; W273-F277 VanDerWaalsContact O-CB 3.28Å; W273-F277 WeakPolarHBondContact O-CB 3.38Å; W273-F277 PolarHBondContact O-N 3.14Å; W273-I285 HydrophobicContact CH2-CD1 3.61Å; W273-I285 HydrophobicContact CH2-CG2 4.02Å; W273-I285 HydrophobicContact CZ2-CD1 4.27Å; W273-I285 HydrophobicContact CZ2-CG2 4.22Å; W273-I285 HydrophobicContact CZ3-CD1 4.19Å |
| 274 | T | 96.6 | Very high | 96.3 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.018 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.2 | -45.2 | -178.6 | -59.5 | 0 | 0 | 0 | 0 | 111.6 | K194 V197 S246 L247 S272 K278 | K194-T274 HydrophobicContact CD-CG2 4.2Å; V197-T274 HydrophobicContact CG2-CG2 4.16Å; S246-T274 WeakPolarHBondContact O-CB 3.43Å; S246-T274 PolarHBondContact O-N 3Å; S246-T274 VanDerWaalsContact O-N 3.1Å; S246-T274 PolarHBondContact O-OG1 2.81Å; L247-T274 HydrophobicContact CD2-CG2 4.12Å; L247-T274 VanDerWaalsContact CD2-OG1 3.23Å; L247-T274 WeakPolarHBondContact CD2-OG1 3.47Å; S272-T274 VanDerWaalsContact C-N 3.27Å; S272-T274 PolarHBondContact O-N 3.01Å; T274-K278 HydrophobicContact CG2-CD 4.38Å; T274-K278 WeakPolarHBondContact O-CB 3.49Å; T274-K278 VanDerWaalsContact O-CG 3.29Å; T274-K278 WeakPolarHBondContact O-CG 3.44Å; T274-K278 PolarHBondContact O-N 3.37Å |
| 275 | E | 97.8 | Very high | 96.8 | Very high | 14 Ų | 14 | 32.9 Ų | 32.9 | 7% | 0.065 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.7 | -47.2 | 173.2 | 174.7 | 174.3 | -149.2 | 0 | 0 | 110.6 | Y69 Y269 G271 S272 W273 F277 K278 R279 | Y69-E275 HydrophobicContact CD1-CB 4.08Å; Y69-E275 HydrophobicContact CD2-CB 4.12Å; Y69-E275 HydrophobicContact CD2-CG 4.02Å; Y69-E275 HydrophobicContact CE1-CB 4.11Å; Y69-E275 HydrophobicContact CE1-CG 4.19Å; Y69-E275 HydrophobicContact CE2-CB 4.14Å; Y69-E275 HydrophobicContact CE2-CG 3.61Å; Y69-E275 WeakPolarHBondContact CE2-OE1 3.4Å; Y69-E275 HydrophobicContact CG-CB 4.1Å; Y69-E275 HydrophobicContact CG-CG 4.47Å; Y269-E275 WeakPolarHBondContact CE2-OE2 3.31Å; Y269-E275 PolarHBondContact OH-OE2 3.09Å; G271-E275 WeakPolarHBondContact CA-OE2 3.44Å; G271-E275 WeakPolarHBondContact O-CB 3.04Å; G271-E275 PolarHBondContact O-N 3.26Å; G271-E275 VanDerWaalsContact O-N 3.12Å; S272-E275 PolarHBondContact O-N 3.44Å; W273-E275 PolarHBondContact O-N 3.21Å; E275-F277 PolarHBondContact O-N 3.15Å; E275-K278 PolarHBondContact O-N 2.68Å; E275-R279 VanDerWaalsContact CG-CD 3.45Å; E275-R279 HydrophobicContact CG-CG 4.22Å; E275-R279 WeakPolarHBondContact O-CG 3.31Å; E275-R279 PolarHBondContact O-N 2.81Å; E275-R279 VanDerWaalsContact O-N 3.12Å; E275-R279 WeakPolarHBondContact OE1-CD 3.48Å; E275-R279 IonicContact OE1-CZ 3.47Å; E275-R279 IonicContact OE1-NE 3.47Å; E275-R279 IonicContact OE1-NH1 2.65Å; E275-R279 PolarHBondContact OE1-NH1 2.78Å |
| 276 | F | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.2 | -51.7 | -176.2 | -168.8 | -87.3 | 0 | 0 | 0 | 111.6 | Y163 V166 L167 I170 F202 Y269 S272 W273 K278 R279 A280 L284 I285 | Y163-F276 HydrophobicContact CD2-CD2 4.02Å; Y163-F276 AromaticContact CE2-CD2 3.98Å; Y163-F276 HydrophobicContact CE2-CD2 3.98Å; Y163-F276 HydrophobicContact CE2-CE2 4.22Å; V166-F276 HydrophobicContact CG1-CD2 4.04Å; V166-F276 HydrophobicContact CG1-CE2 3.87Å; L167-F276 HydrophobicContact CD2-CE2 4.22Å; I170-F276 HydrophobicContact CD1-CE2 3.79Å; I170-F276 HydrophobicContact CD1-CZ 3.75Å; F202-F276 HydrophobicContact CB-CD1 4.01Å; F202-F276 HydrophobicContact CB-CD2 4.37Å; F202-F276 HydrophobicContact CB-CE1 3.46Å; F202-F276 VanDerWaalsContact CB-CE1 3.46Å; F202-F276 HydrophobicContact CB-CE2 3.86Å; F202-F276 HydrophobicContact CB-CG 4.43Å; F202-F276 HydrophobicContact CB-CZ 3.37Å; F202-F276 HydrophobicContact CD1-CD1 4.28Å; F202-F276 HydrophobicContact CD1-CD2 4.14Å; F202-F276 HydrophobicContact CD1-CE2 4.39Å; F202-F276 HydrophobicContact CD1-CG 4.08Å; F202-F276 HydrophobicContact CG-CD2 4.46Å; F202-F276 HydrophobicContact CG-CE1 4.43Å; F202-F276 HydrophobicContact CG-CE2 4.25Å; F202-F276 HydrophobicContact CG-CZ 4.24Å; Y269-F276 HydrophobicContact CE1-CB 4.03Å; Y269-F276 HydrophobicContact CE1-CD2 4.4Å; Y269-F276 PolarHBondContact OH-N 3.38Å; S272-F276 WeakPolarHBondContact O-CB 3.27Å; S272-F276 PolarHBondContact O-N 2.85Å; W273-F276 HydrophobicContact CE3-CB 4.3Å; W273-F276 HydrophobicContact CE3-CD1 4.08Å; W273-F276 HydrophobicContact CH2-CD1 4.43Å; W273-F276 AromaticContact CZ3-CD1 3.62Å; W273-F276 HydrophobicContact CZ3-CD1 3.62Å; W273-F276 HydrophobicContact CZ3-CE1 4.22Å; W273-F276 HydrophobicContact CZ3-CG 4.44Å; W273-F276 PolarHBondContact O-N 3.38Å; F276-K278 VanDerWaalsContact C-N 3.27Å; F276-K278 PolarHBondContact O-N 3.38Å; F276-R279 PolarHBondContact O-N 3.1Å; F276-A280 HydrophobicContact CD1-CB 3.68Å; F276-A280 HydrophobicContact CD2-CB 4.47Å; F276-A280 HydrophobicContact CE1-CB 3.33Å; F276-A280 HydrophobicContact CE2-CB 4.21Å; F276-A280 HydrophobicContact CG-CB 4.23Å; F276-A280 HydrophobicContact CZ-CB 3.63Å; F276-A280 WeakPolarHBondContact O-CA 3.36Å; F276-A280 WeakPolarHBondContact O-CB 3.27Å; F276-A280 PolarHBondContact O-N 3.27Å; F276-L284 HydrophobicContact CE1-CB 4.13Å; F276-L284 WeakPolarHBondContact CE1-O 3.4Å; F276-L284 HydrophobicContact CZ-CB 3.91Å; F276-L284 HydrophobicContact CZ-CD1 4.34Å; F276-I285 HydrophobicContact CD1-CD1 3.95Å; F276-I285 HydrophobicContact CE1-CD1 3.87Å |
| 277 | F | 97.4 | Very high | 97.4 | Very high | 48 Ų | 48 | 35.7 Ų | 35.7 | 21% | 0.211 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59 | -38 | -179.7 | 179.2 | -98.1 | 0 | 0 | 0 | 112.4 | V197 L198 W273 E275 I285 | V197-F277 HydrophobicContact CB-CD1 4.14Å; V197-F277 HydrophobicContact CG1-CB 3.94Å; V197-F277 HydrophobicContact CG1-CD1 3.75Å; V197-F277 HydrophobicContact CG1-CE1 4.49Å; V197-F277 HydrophobicContact CG1-CG 3.85Å; V197-F277 HydrophobicContact CG2-CD1 4.35Å; L198-F277 HydrophobicContact CB-CD2 4.49Å; L198-F277 HydrophobicContact CB-CE2 3.61Å; L198-F277 HydrophobicContact CB-CZ 3.64Å; L198-F277 HydrophobicContact CD1-CE2 4.35Å; L198-F277 HydrophobicContact CD1-CZ 4.03Å; L198-F277 HydrophobicContact CG-CE2 4.18Å; L198-F277 HydrophobicContact CG-CZ 3.74Å; W273-F277 HydrophobicContact CD2-CB 4.5Å; W273-F277 HydrophobicContact CZ2-CB 4.38Å; W273-F277 HydrophobicContact CZ2-CD2 4.08Å; W273-F277 VanDerWaalsContact O-CB 3.28Å; W273-F277 WeakPolarHBondContact O-CB 3.38Å; W273-F277 PolarHBondContact O-N 3.14Å; E275-F277 PolarHBondContact O-N 3.15Å; F277-I285 HydrophobicContact CD2-CD1 4.05Å; F277-I285 HydrophobicContact CD2-CG1 4.47Å |
| 278 | K | 96.6 | Very high | 97.2 | Very high | 93 Ų | 93 | 41 Ų | 41 | 40% | 0.404 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -75.5 | -22.1 | -178.6 | -72.3 | -176.2 | 176.4 | -160 | 0 | 114 | Y69 D196 T274 E275 F276 | Y69-K278 HydrophobicContact CE1-CB 4.29Å; Y69-K278 HydrophobicContact CE1-CD 4.12Å; D196-K278 WeakPolarHBondContact OD2-CE 3.15Å; D196-K278 IonicContact OD2-NZ 3.75Å; D196-K278 PolarHBondContact OD2-NZ 2.58Å; T274-K278 HydrophobicContact CG2-CD 4.38Å; T274-K278 WeakPolarHBondContact O-CB 3.49Å; T274-K278 VanDerWaalsContact O-CG 3.29Å; T274-K278 WeakPolarHBondContact O-CG 3.44Å; T274-K278 PolarHBondContact O-N 3.37Å; E275-K278 PolarHBondContact O-N 2.68Å; F276-K278 VanDerWaalsContact C-N 3.27Å; F276-K278 PolarHBondContact O-N 3.38Å |
| 279 | R | 97.7 | Very high | 96.2 | Very high | 95 Ų | 95 | 42.1 Ų | 42.1 | 36% | 0.358 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -109.3 | -35 | -175 | -63.3 | -179.6 | 70.1 | -178.8 | -7.7 | 113.3 | Y69 Y163 E164 E275 F276 | Y69-R279 VanDerWaalsContact OH-CD 3.26Å; Y69-R279 WeakPolarHBondContact OH-CD 3.31Å; Y69-R279 WeakPolarHBondContact OH-CG 3.48Å; Y163-R279 VanDerWaalsContact CB-NH1 3.29Å; Y163-R279 VanDerWaalsContact CD1-NH2 3.32Å; Y163-R279 HydrophobicContact CD2-CB 4.07Å; Y163-R279 HydrophobicContact CE1-CB 4.25Å; Y163-R279 HydrophobicContact CE2-CB 3.64Å; Y163-R279 PolarHBondContact OH-O 2.74Å; E164-R279 IonicContact OE1-CZ 2.65Å; E164-R279 IonicContact OE1-NH1 3.55Å; E164-R279 PolarHBondContact OE1-NH1 2.77Å; E164-R279 IonicContact OE1-NH2 3.51Å; E164-R279 PolarHBondContact OE1-NH2 2.98Å; E164-R279 IonicContact OE2-NH1 3.42Å; E275-R279 VanDerWaalsContact CG-CD 3.45Å; E275-R279 HydrophobicContact CG-CG 4.22Å; E275-R279 WeakPolarHBondContact O-CG 3.31Å; E275-R279 PolarHBondContact O-N 2.81Å; E275-R279 VanDerWaalsContact O-N 3.12Å; E275-R279 WeakPolarHBondContact OE1-CD 3.48Å; E275-R279 IonicContact OE1-CZ 3.47Å; E275-R279 IonicContact OE1-NE 3.47Å; E275-R279 IonicContact OE1-NH1 2.65Å; E275-R279 PolarHBondContact OE1-NH1 2.78Å; F276-R279 PolarHBondContact O-N 3.1Å |
| 280 | A | 97.1 | Very high | 94.4 | Very high | 12 Ų | 12 | 52 Ų | 52 | 10% | 0.099 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -71.6 | 143.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y163 F276 L284 I285 | Y163-A280 HydrophobicContact CE2-CB 4.15Å; Y163-A280 WeakPolarHBondContact OH-CA 3.32Å; F276-A280 HydrophobicContact CD1-CB 3.68Å; F276-A280 HydrophobicContact CD2-CB 4.47Å; F276-A280 HydrophobicContact CE1-CB 3.33Å; F276-A280 HydrophobicContact CE2-CB 4.21Å; F276-A280 HydrophobicContact CG-CB 4.23Å; F276-A280 HydrophobicContact CZ-CB 3.63Å; F276-A280 WeakPolarHBondContact O-CA 3.36Å; F276-A280 WeakPolarHBondContact O-CB 3.27Å; F276-A280 PolarHBondContact O-N 3.27Å; A280-L284 HydrophobicContact CB-CB 4.38Å; A280-I285 HydrophobicContact CB-CD1 4.33Å |
| 281 | P | 96.5 | Very high | 92.4 | Very high | 47 Ų | 47 | 61.1 Ų | 61.1 | 31% | 0.305 | 31% | 0.306 | S | S | . | . | trans | -70.9 | 151.4 | 173 | 37.8 | -40.5 | 0 | 0 | 0 | 109.5 | E283 L284 | P281-E283 VanDerWaalsContact CB-CD 3.42Å; P281-E283 WeakPolarHBondContact CB-OE1 3.43Å; P281-E283 VanDerWaalsContact CB-OE2 3.3Å; P281-E283 WeakPolarHBondContact CB-OE2 3.25Å; P281-E283 VanDerWaalsContact CG-CD 3.46Å; P281-E283 HydrophobicContact CG-CG 4.23Å; P281-E283 WeakPolarHBondContact CG-OE1 3.26Å; P281-E283 PolarHBondContact O-N 3.03Å; P281-L284 HydrophobicContact CG-CD1 4.23Å; P281-L284 HydrophobicContact CG-CG 4.18Å; P281-L284 PolarHBondContact O-N 3.37Å | ||
| 282 | P | 94.9 | Very high | 90.1 | Very high | 108 Ų | 108 | 69.8 Ų | 69.8 | 70% | 0.701 | 36% | 0.358 | S | S | * | . | G | 310 helix | trans | -56.8 | -26.7 | -170.2 | -27.5 | 35.8 | 0 | 0 | 0 | 115.2 | L284 I285 | P282-L284 PolarHBondContact O-N 3.47Å; P282-I285 WeakPolarHBondContact O-CB 3.48Å; P282-I285 PolarHBondContact O-N 3.14Å |
| 283 | E | 96.2 | Very high | 89.7 | Confident | 143 Ų | 143 | 73.3 Ų | 73.3 | 67% | 0.668 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -64.7 | -19 | 177 | 64.5 | -87.6 | -161.2 | 0 | 0 | 114.1 | P281 | P281-E283 VanDerWaalsContact CB-CD 3.42Å; P281-E283 WeakPolarHBondContact CB-OE1 3.43Å; P281-E283 VanDerWaalsContact CB-OE2 3.3Å; P281-E283 WeakPolarHBondContact CB-OE2 3.25Å; P281-E283 VanDerWaalsContact CG-CD 3.46Å; P281-E283 HydrophobicContact CG-CG 4.23Å; P281-E283 WeakPolarHBondContact CG-OE1 3.26Å; P281-E283 PolarHBondContact O-N 3.03Å |
| 284 | L | 97.4 | Very high | 89.2 | Confident | 37 Ų | 37 | 77.1 Ų | 77.1 | 19% | 0.194 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -94.9 | 9.3 | 174 | -58.9 | -174 | 0 | 0 | 0 | 112.7 | L167 I170 P203 F276 A280 P281 P282 | L167-L284 HydrophobicContact CD2-CD1 3.46Å; L167-L284 VanDerWaalsContact CD2-CD1 3.46Å; I170-L284 HydrophobicContact CD1-CD1 4.44Å; I170-L284 HydrophobicContact CG2-CD2 4.36Å; P203-L284 WeakPolarHBondContact CD-O 3.33Å; P203-L284 HydrophobicContact CG-CD2 4.35Å; F276-L284 HydrophobicContact CE1-CB 4.13Å; F276-L284 WeakPolarHBondContact CE1-O 3.4Å; F276-L284 HydrophobicContact CZ-CB 3.91Å; F276-L284 HydrophobicContact CZ-CD1 4.34Å; A280-L284 HydrophobicContact CB-CB 4.38Å; P281-L284 HydrophobicContact CG-CD1 4.23Å; P281-L284 HydrophobicContact CG-CG 4.18Å; P281-L284 PolarHBondContact O-N 3.37Å; P282-L284 PolarHBondContact O-N 3.47Å |
| 285 | I | 97.4 | Very high | 88.8 | Confident | 41 Ų | 41 | 81.2 Ų | 81.2 | 21% | 0.21 | 42% | 0.416 | C | S | . | . | trans | -102.8 | 108.6 | 175.8 | -53.7 | -59.5 | 0 | 0 | 0 | 108.8 | W273 F276 F277 A280 P282 | W273-I285 HydrophobicContact CH2-CD1 3.61Å; W273-I285 HydrophobicContact CH2-CG2 4.02Å; W273-I285 HydrophobicContact CZ2-CD1 4.27Å; W273-I285 HydrophobicContact CZ2-CG2 4.22Å; W273-I285 HydrophobicContact CZ3-CD1 4.19Å; F276-I285 HydrophobicContact CD1-CD1 3.95Å; F276-I285 HydrophobicContact CE1-CD1 3.87Å; F277-I285 HydrophobicContact CD2-CD1 4.05Å; F277-I285 HydrophobicContact CD2-CG1 4.47Å; A280-I285 HydrophobicContact CB-CD1 4.33Å; P282-I285 WeakPolarHBondContact O-CB 3.48Å; P282-I285 PolarHBondContact O-N 3.14Å | ||
| 286 | V | 97.5 | Very high | 88.3 | Confident | 57 Ų | 57 | 85.2 Ų | 85.2 | 35% | 0.345 | 44% | 0.437 | S | S | . | . | B | Isolated β-bridge | trans | -96.6 | 122.5 | 176.3 | -173.7 | 0 | 0 | 0 | 0 | 109 | G200 H201 P203 | G200-V286 CarbonylContact C-O 3.44Å; G200-V286 WeakPolarHBondContact CA-O 3.3Å; H201-V286 VanDerWaalsContact CE1-CG1 3.48Å; H201-V286 WeakPolarHBondContact CE1-CG1 3.33Å; H201-V286 PolarHBondContact N-O 3.26Å; H201-V286 PolarHBondContact ND1-O 3.01Å; H201-V286 WeakPolarHBondContact O-CB 3.21Å; H201-V286 PolarHBondContact O-N 2.86Å; P203-V286 HydrophobicContact CG-CG2 3.9Å |
| 287 | S | 96.3 | Very high | 87.7 | Confident | 42 Ų | 42 | 90.5 Ų | 90.5 | 29% | 0.294 | 46% | 0.464 | S | S | . | . | trans | -149.3 | 136.8 | 179.4 | -179.3 | 0 | 0 | 0 | 0 | 109.9 | G188 G289 | G188-S287 WeakPolarHBondContact CA-OG 3.45Å; S287-G289 PolarHBondContact OG-N 3.36Å | ||
| 288 | E | 93.4 | Very high | 87 | Confident | 115 Ų | 115 | 93.3 Ų | 93.3 | 54% | 0.537 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -83.7 | -17.7 | 170.7 | -59.1 | 178.6 | -149.5 | 0 | 0 | 112 | R187 T189 | R187-E288 HydrophobicContact CB-CG 4.46Å; R187-E288 VanDerWaalsContact CG-OE1 3.31Å; R187-E288 WeakPolarHBondContact CG-OE1 3.24Å; R187-E288 IonicContact CZ-OE1 2.74Å; R187-E288 IonicContact CZ-OE2 3.9Å; R187-E288 IonicContact NE-OE1 2.64Å; R187-E288 PolarHBondContact NE-OE1 2.97Å; R187-E288 IonicContact NE-OE2 3.31Å; R187-E288 PolarHBondContact NE-OE2 3.4Å; R187-E288 IonicContact NH2-OE1 2.84Å; R187-E288 IonicContact NH2-OE2 3.23Å; R187-E288 PolarHBondContact NH2-OE2 3.27Å; R187-E288 WeakPolarHBondContact O-CB 2.98Å; R187-E288 PolarHBondContact O-N 3.42Å; T189-E288 HydrophobicContact CG2-CB 4.39Å |
| 289 | G | 78.8 | Confident | 86.4 | Confident | 22 Ų | 22 | 93.4 Ų | 93.4 | 23% | 0.227 | 49% | 0.487 | C | S | . | . | S | Bend | trans | -63.6 | 155.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111 | G188 S287 K291 | G188-G289 WeakPolarHBondContact O-CA 3.39Å; S287-G289 PolarHBondContact OG-N 3.36Å; G289-K291 PolarHBondContact O-N 2.99Å; G289-K291 VanDerWaalsContact O-N 3.1Å |
| 290 | K | 61.2 | Low | 85.5 | Confident | 207 Ų | 207 | 93.2 Ų | 93.2 | 90% | 0.9 | 50% | 0.496 | S | S | * | . | P | Polyproline II helix | trans | -52.7 | 123.6 | 176.1 | -75.5 | -175.9 | 177.2 | -179.9 | 0 | 109.1 | V292 | K290-V292 PolarHBondContact O-N 3.35Š|
| 291 | K | 56 | Low | 84.5 | Confident | 197 Ų | 197 | 100 Ų | 100 | 86% | 0.857 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -54.5 | 120.2 | 167.8 | -68.7 | -177.2 | 176.3 | -175.6 | 0 | 107.2 | G289 | G289-K291 PolarHBondContact O-N 2.99Å; G289-K291 VanDerWaalsContact O-N 3.1Å |
| 292 | V | 48.4 | Very low | 83.4 | Confident | 184 Ų | 184 | 104.8 Ų | 104.8 | 100% | 1.115 | 55% | 0.55 | S | S | * | . | trans | -74.4 | 0 | 168.6 | -175.2 | 0 | 0 | 0 | 0 | 107.9 | L198 K290 | L198-V292 HydrophobicContact CD1-CG2 4.3Å; K290-V292 PolarHBondContact O-N 3.35Å |
Retrieved 292 of 292 residues in 321.9 ms
(Link to these results)